USER MOD reduce.3.24.130724 H: found=0, std=0, add=1866, rem=0, adj=76 USER MOD reduce.3.24.130724 removed 1864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 38 SER OG : rot -17:sc= -0.277 USER MOD Set 1.2: B 112 LYS NZ :NH3+ 145:sc= -0.36 (180deg=-0.494) USER MOD Set 2.1: B 56 HIS : no HD1:sc= 0.0567 K(o=-0.041,f=-1.2) USER MOD Set 2.2: B 97 MET CE :methyl 170:sc= -0.0978 (180deg=-0.344) USER MOD Set 3.1: A 56 HIS : no HD1:sc= 0.219 K(o=0.086,f=-2.9!) USER MOD Set 3.2: A 97 MET CE :methyl -168:sc= -0.133 (180deg=-0.408) USER MOD Set 4.1: A 74 SER OG : rot -158:sc= 1.08 USER MOD Set 4.2: A 78 LYS NZ :NH3+ 148:sc= 1.41 (180deg=0.0346) USER MOD Set 5.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: B 11 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 180:sc= -0.0124 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 8 THR OG1 : rot 47:sc= 0.197 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc=-0.00329 X(o=-0.0033,f=-0.26) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= -0.053 (180deg=-0.336) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 75:sc= 0.524 USER MOD Single : A 24 GLN : amide:sc= -0.644! C(o=-0.64!,f=-3.4!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -171:sc= 1.29 (180deg=1.06) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= 0.674 (180deg=0.243) USER MOD Single : A 38 SER OG : rot 36:sc= -2.08! USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.35 K(o=-1.3,f=-0.47) USER MOD Single : A 46 TYR OH : rot -97:sc= 0.911 USER MOD Single : A 48 SER OG : rot 170:sc= -0.89 USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.86! USER MOD Single : A 51 GLN : amide:sc= -0.52 K(o=-0.52,f=0) USER MOD Single : A 58 SER OG : rot 69:sc= 0.57 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 70:sc= -8.88! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.19 K(o=-1.2,f=-4.3!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 167:sc= 0.353 (180deg=-0.232!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -87:sc= -0.443 USER MOD Single : A 89 ASN : amide:sc= -0.0353 K(o=-0.035,f=-1.9!) USER MOD Single : A 90 SER OG : rot -175:sc= -1.01 USER MOD Single : A 100 THR OG1 : rot -130:sc= -0.837 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -108:sc= 0.475 (180deg=-0.809!) USER MOD Single : A 112 LYS NZ :NH3+ -169:sc= 0.956 (180deg=0.929) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -3.15 K(o=-3.2,f=-3.9!) USER MOD Single : A 116 MET CE :methyl -146:sc= -0.189 (180deg=-0.745) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot -44:sc= 0.332 USER MOD Single : B 1 ALA N :NH3+ -120:sc= 0.159 (180deg=0) USER MOD Single : B 5 CYS SG : rot 180:sc= 0.0615 USER MOD Single : B 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 7 GLN : amide:sc= -0.325 X(o=-0.33,f=-0.48) USER MOD Single : B 8 THR OG1 : rot 78:sc= 1.07 USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 12 LYS NZ :NH3+ 161:sc= -0.0776 (180deg=-0.47) USER MOD Single : B 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot 180:sc= 0.22 USER MOD Single : B 19 THR OG1 : rot 157:sc= 1.21 USER MOD Single : B 24 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.3) USER MOD Single : B 27 SER OG : rot 180:sc= -0.132 USER MOD Single : B 31 LYS NZ :NH3+ -151:sc= 1.23 (180deg=0.931) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 LYS NZ :NH3+ -169:sc= 0.868 (180deg=0.804) USER MOD Single : B 40 TYR OH : rot 180:sc= 0 USER MOD Single : B 43 ASN : amide:sc= 1.75 K(o=1.8,f=-7.1!) USER MOD Single : B 46 TYR OH : rot -125:sc= 1.3 USER MOD Single : B 48 SER OG : rot -160:sc=-0.00338 USER MOD Single : B 49 THR OG1 : rot -90:sc= 2.27 USER MOD Single : B 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 SER OG : rot 70:sc= 0.487 USER MOD Single : B 59 SER OG : rot 65:sc= 0.98 USER MOD Single : B 60 CYS SG : rot 180:sc= 0 USER MOD Single : B 62 SER OG : rot 135:sc= 1.3 USER MOD Single : B 64 ASN : amide:sc= -2.96 X(o=-3,f=-2.7!) USER MOD Single : B 67 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 CYS SG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ -163:sc= -0.0133 (180deg=-0.42) USER MOD Single : B 74 SER OG : rot 123:sc= 1.28 USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 78 LYS NZ :NH3+ -148:sc= -0.39 (180deg=-0.768) USER MOD Single : B 80 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot 38:sc= -2.5! USER MOD Single : B 89 ASN : amide:sc= -0.0989 K(o=-0.099,f=-2.6!) USER MOD Single : B 90 SER OG : rot 150:sc= -1.4! USER MOD Single : B 100 THR OG1 : rot -70:sc= 1.27 USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 114 THR OG1 : rot 180:sc= -0.0023 USER MOD Single : B 115 ASN : amide:sc= -0.469 K(o=-0.47,f=-1.3) USER MOD Single : B 116 MET CE :methyl -162:sc= -0.12 (180deg=-0.511) USER MOD Single : B 120 SER OG : rot 72:sc= 0.405 USER MOD Single : B 121 SER OG : rot 180:sc= 0.0328 USER MOD Single : B 122 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -28.847 -38.416 15.679 1.00 5.13 N ATOM 2 CA ALA A 1 -27.525 -38.228 16.249 1.00 31.33 C ATOM 3 C ALA A 1 -26.758 -37.235 15.417 1.00 74.25 C ATOM 4 O ALA A 1 -26.518 -37.469 14.234 1.00 32.14 O ATOM 5 CB ALA A 1 -26.784 -39.550 16.312 1.00 72.24 C ATOM 0 H1 ALA A 1 -29.378 -39.102 16.253 1.00 5.13 H new ATOM 0 H2 ALA A 1 -29.353 -37.507 15.669 1.00 5.13 H new ATOM 0 H3 ALA A 1 -28.758 -38.774 14.706 1.00 5.13 H new ATOM 0 HA ALA A 1 -27.623 -37.844 17.264 1.00 31.33 H new ATOM 0 HB1 ALA A 1 -25.795 -39.392 16.742 1.00 72.24 H new ATOM 0 HB2 ALA A 1 -27.342 -40.251 16.933 1.00 72.24 H new ATOM 0 HB3 ALA A 1 -26.682 -39.958 15.306 1.00 72.24 H new ATOM 13 N ILE A 2 -26.384 -36.137 16.014 1.00 41.24 N ATOM 14 CA ILE A 2 -25.665 -35.100 15.311 1.00 63.10 C ATOM 15 C ILE A 2 -24.185 -35.400 15.203 1.00 62.52 C ATOM 16 O ILE A 2 -23.578 -35.936 16.135 1.00 74.54 O ATOM 17 CB ILE A 2 -25.938 -33.646 15.872 1.00 73.33 C ATOM 18 CG1 ILE A 2 -25.619 -33.472 17.388 1.00 71.31 C ATOM 19 CG2 ILE A 2 -27.364 -33.230 15.592 1.00 22.10 C ATOM 20 CD1 ILE A 2 -24.146 -33.457 17.766 1.00 72.24 C ATOM 0 H ILE A 2 -26.566 -35.932 16.997 1.00 41.24 H new ATOM 0 HA ILE A 2 -26.069 -35.104 14.299 1.00 63.10 H new ATOM 0 HB ILE A 2 -25.244 -32.994 15.342 1.00 73.33 H new ATOM 0 HG12 ILE A 2 -26.070 -32.540 17.728 1.00 71.31 H new ATOM 0 HG13 ILE A 2 -26.105 -34.279 17.935 1.00 71.31 H new ATOM 0 HG21 ILE A 2 -27.534 -32.228 15.985 1.00 22.10 H new ATOM 0 HG22 ILE A 2 -27.539 -33.233 14.516 1.00 22.10 H new ATOM 0 HG23 ILE A 2 -28.048 -33.929 16.073 1.00 22.10 H new ATOM 0 HD11 ILE A 2 -24.048 -33.331 18.844 1.00 72.24 H new ATOM 0 HD12 ILE A 2 -23.684 -34.398 17.468 1.00 72.24 H new ATOM 0 HD13 ILE A 2 -23.648 -32.631 17.257 1.00 72.24 H new ATOM 32 N ALA A 3 -23.625 -35.153 14.060 1.00 13.12 N ATOM 33 CA ALA A 3 -22.210 -35.269 13.907 1.00 50.34 C ATOM 34 C ALA A 3 -21.591 -33.967 14.412 1.00 62.40 C ATOM 35 O ALA A 3 -21.929 -32.893 13.900 1.00 45.13 O ATOM 36 CB ALA A 3 -21.833 -35.538 12.455 1.00 60.54 C ATOM 0 H ALA A 3 -24.127 -34.869 13.219 1.00 13.12 H new ATOM 0 HA ALA A 3 -21.832 -36.114 14.482 1.00 50.34 H new ATOM 0 HB1 ALA A 3 -20.750 -35.621 12.370 1.00 60.54 H new ATOM 0 HB2 ALA A 3 -22.296 -36.468 12.125 1.00 60.54 H new ATOM 0 HB3 ALA A 3 -22.184 -34.717 11.830 1.00 60.54 H new ATOM 42 N PRO A 4 -20.718 -34.043 15.450 1.00 64.12 N ATOM 43 CA PRO A 4 -20.106 -32.861 16.085 1.00 34.34 C ATOM 44 C PRO A 4 -19.500 -31.892 15.075 1.00 64.25 C ATOM 45 O PRO A 4 -18.581 -32.247 14.319 1.00 25.25 O ATOM 46 CB PRO A 4 -19.013 -33.451 16.996 1.00 51.21 C ATOM 47 CG PRO A 4 -18.919 -34.899 16.620 1.00 42.04 C ATOM 48 CD PRO A 4 -20.257 -35.283 16.083 1.00 44.52 C ATOM 0 HA PRO A 4 -20.849 -32.272 16.623 1.00 34.34 H new ATOM 0 HB2 PRO A 4 -18.060 -32.944 16.845 1.00 51.21 H new ATOM 0 HB3 PRO A 4 -19.273 -33.335 18.048 1.00 51.21 H new ATOM 0 HG2 PRO A 4 -18.141 -35.056 15.873 1.00 42.04 H new ATOM 0 HG3 PRO A 4 -18.658 -35.509 17.485 1.00 42.04 H new ATOM 0 HD2 PRO A 4 -20.186 -36.101 15.367 1.00 44.52 H new ATOM 0 HD3 PRO A 4 -20.932 -35.609 16.874 1.00 44.52 H new ATOM 56 N CYS A 5 -20.026 -30.692 15.052 1.00 32.41 N ATOM 57 CA CYS A 5 -19.595 -29.679 14.137 1.00 23.31 C ATOM 58 C CYS A 5 -19.891 -28.305 14.731 1.00 71.20 C ATOM 59 O CYS A 5 -20.845 -28.145 15.493 1.00 3.14 O ATOM 60 CB CYS A 5 -20.334 -29.858 12.802 1.00 64.20 C ATOM 61 SG CYS A 5 -19.869 -28.697 11.500 1.00 15.31 S ATOM 0 H CYS A 5 -20.774 -30.394 15.678 1.00 32.41 H new ATOM 0 HA CYS A 5 -18.522 -29.763 13.962 1.00 23.31 H new ATOM 0 HB2 CYS A 5 -20.158 -30.872 12.442 1.00 64.20 H new ATOM 0 HB3 CYS A 5 -21.405 -29.765 12.983 1.00 64.20 H new ATOM 0 HG CYS A 5 -20.557 -28.950 10.427 1.00 15.31 H new ATOM 67 N MET A 6 -19.070 -27.344 14.415 1.00 35.22 N ATOM 68 CA MET A 6 -19.245 -25.984 14.870 1.00 15.00 C ATOM 69 C MET A 6 -18.766 -25.056 13.781 1.00 5.10 C ATOM 70 O MET A 6 -17.776 -25.349 13.111 1.00 51.33 O ATOM 71 CB MET A 6 -18.447 -25.743 16.162 1.00 32.33 C ATOM 72 CG MET A 6 -18.558 -24.329 16.722 1.00 43.25 C ATOM 73 SD MET A 6 -17.593 -24.102 18.229 1.00 51.03 S ATOM 74 CE MET A 6 -17.911 -22.373 18.573 1.00 44.35 C ATOM 0 H MET A 6 -18.248 -27.480 13.827 1.00 35.22 H new ATOM 0 HA MET A 6 -20.297 -25.798 15.086 1.00 15.00 H new ATOM 0 HB2 MET A 6 -18.787 -26.448 16.921 1.00 32.33 H new ATOM 0 HB3 MET A 6 -17.397 -25.963 15.971 1.00 32.33 H new ATOM 0 HG2 MET A 6 -18.222 -23.616 15.969 1.00 43.25 H new ATOM 0 HG3 MET A 6 -19.605 -24.105 16.928 1.00 43.25 H new ATOM 0 HE1 MET A 6 -17.381 -22.079 19.479 1.00 44.35 H new ATOM 0 HE2 MET A 6 -17.564 -21.766 17.737 1.00 44.35 H new ATOM 0 HE3 MET A 6 -18.981 -22.221 18.713 1.00 44.35 H new ATOM 84 N GLN A 7 -19.466 -23.977 13.568 1.00 64.13 N ATOM 85 CA GLN A 7 -19.073 -23.030 12.564 1.00 24.11 C ATOM 86 C GLN A 7 -18.319 -21.890 13.186 1.00 33.15 C ATOM 87 O GLN A 7 -18.676 -21.403 14.266 1.00 15.13 O ATOM 88 CB GLN A 7 -20.268 -22.545 11.756 1.00 63.02 C ATOM 89 CG GLN A 7 -20.930 -23.658 10.966 1.00 23.41 C ATOM 90 CD GLN A 7 -22.097 -23.190 10.128 1.00 54.10 C ATOM 91 OE1 GLN A 7 -22.796 -22.236 10.476 1.00 73.33 O ATOM 92 NE2 GLN A 7 -22.314 -23.851 9.024 1.00 54.31 N ATOM 0 H GLN A 7 -20.314 -23.731 14.078 1.00 64.13 H new ATOM 0 HA GLN A 7 -18.404 -23.532 11.864 1.00 24.11 H new ATOM 0 HB2 GLN A 7 -20.999 -22.098 12.429 1.00 63.02 H new ATOM 0 HB3 GLN A 7 -19.944 -21.761 11.071 1.00 63.02 H new ATOM 0 HG2 GLN A 7 -20.189 -24.122 10.315 1.00 23.41 H new ATOM 0 HG3 GLN A 7 -21.274 -24.428 11.657 1.00 23.41 H new ATOM 0 HE21 GLN A 7 -21.712 -24.635 8.772 1.00 54.31 H new ATOM 0 HE22 GLN A 7 -23.086 -23.584 8.413 1.00 54.31 H new ATOM 101 N THR A 8 -17.280 -21.487 12.533 1.00 53.43 N ATOM 102 CA THR A 8 -16.429 -20.460 13.016 1.00 72.14 C ATOM 103 C THR A 8 -16.891 -19.076 12.569 1.00 70.10 C ATOM 104 O THR A 8 -16.617 -18.642 11.449 1.00 61.20 O ATOM 105 CB THR A 8 -14.983 -20.728 12.581 1.00 40.23 C ATOM 106 OG1 THR A 8 -14.962 -21.014 11.164 1.00 70.11 O ATOM 107 CG2 THR A 8 -14.409 -21.908 13.343 1.00 4.41 C ATOM 0 H THR A 8 -16.996 -21.872 11.632 1.00 53.43 H new ATOM 0 HA THR A 8 -16.477 -20.470 14.105 1.00 72.14 H new ATOM 0 HB THR A 8 -14.378 -19.847 12.795 1.00 40.23 H new ATOM 0 HG1 THR A 8 -15.501 -20.348 10.688 1.00 70.11 H new ATOM 0 HG21 THR A 8 -13.382 -22.084 13.022 1.00 4.41 H new ATOM 0 HG22 THR A 8 -14.423 -21.693 14.411 1.00 4.41 H new ATOM 0 HG23 THR A 8 -15.009 -22.796 13.144 1.00 4.41 H new ATOM 115 N THR A 9 -17.618 -18.413 13.426 1.00 25.13 N ATOM 116 CA THR A 9 -18.078 -17.087 13.155 1.00 11.34 C ATOM 117 C THR A 9 -17.095 -16.101 13.784 1.00 44.42 C ATOM 118 O THR A 9 -17.090 -15.903 15.001 1.00 2.23 O ATOM 119 CB THR A 9 -19.492 -16.874 13.742 1.00 30.23 C ATOM 120 OG1 THR A 9 -20.370 -17.903 13.238 1.00 42.50 O ATOM 121 CG2 THR A 9 -20.046 -15.509 13.342 1.00 64.33 C ATOM 0 H THR A 9 -17.906 -18.781 14.332 1.00 25.13 H new ATOM 0 HA THR A 9 -18.133 -16.928 12.078 1.00 11.34 H new ATOM 0 HB THR A 9 -19.430 -16.922 14.829 1.00 30.23 H new ATOM 0 HG1 THR A 9 -21.269 -17.776 13.607 1.00 42.50 H new ATOM 0 HG21 THR A 9 -21.042 -15.382 13.767 1.00 64.33 H new ATOM 0 HG22 THR A 9 -19.388 -14.725 13.718 1.00 64.33 H new ATOM 0 HG23 THR A 9 -20.104 -15.444 12.255 1.00 64.33 H new ATOM 129 N HIS A 10 -16.239 -15.524 12.968 1.00 4.31 N ATOM 130 CA HIS A 10 -15.228 -14.636 13.485 1.00 62.13 C ATOM 131 C HIS A 10 -15.438 -13.185 13.097 1.00 40.13 C ATOM 132 O HIS A 10 -15.019 -12.742 12.030 1.00 34.35 O ATOM 133 CB HIS A 10 -13.772 -15.126 13.203 1.00 23.13 C ATOM 134 CG HIS A 10 -13.419 -15.367 11.757 1.00 63.15 C ATOM 135 ND1 HIS A 10 -12.847 -14.416 10.948 1.00 34.42 N ATOM 136 CD2 HIS A 10 -13.537 -16.473 10.994 1.00 62.14 C ATOM 137 CE1 HIS A 10 -12.632 -14.922 9.756 1.00 74.45 C ATOM 138 NE2 HIS A 10 -13.044 -16.167 9.759 1.00 23.42 N ATOM 0 H HIS A 10 -16.224 -15.653 11.956 1.00 4.31 H new ATOM 0 HA HIS A 10 -15.354 -14.673 14.567 1.00 62.13 H new ATOM 0 HB2 HIS A 10 -13.078 -14.389 13.607 1.00 23.13 H new ATOM 0 HB3 HIS A 10 -13.609 -16.052 13.754 1.00 23.13 H new ATOM 0 HD2 HIS A 10 -13.946 -17.424 11.303 1.00 62.14 H new ATOM 0 HE1 HIS A 10 -12.192 -14.403 8.918 1.00 74.45 H new ATOM 0 HE2 HIS A 10 -13.003 -16.805 8.964 1.00 23.42 H new ATOM 147 N SER A 11 -16.132 -12.470 13.946 1.00 2.32 N ATOM 148 CA SER A 11 -16.308 -11.052 13.802 1.00 30.55 C ATOM 149 C SER A 11 -15.332 -10.395 14.758 1.00 20.43 C ATOM 150 O SER A 11 -15.223 -10.829 15.912 1.00 22.30 O ATOM 151 CB SER A 11 -17.763 -10.679 14.116 1.00 25.11 C ATOM 152 OG SER A 11 -18.169 -11.173 15.399 1.00 54.15 O ATOM 0 H SER A 11 -16.595 -12.863 14.765 1.00 2.32 H new ATOM 0 HA SER A 11 -16.110 -10.714 12.785 1.00 30.55 H new ATOM 0 HB2 SER A 11 -17.875 -9.595 14.091 1.00 25.11 H new ATOM 0 HB3 SER A 11 -18.418 -11.085 13.345 1.00 25.11 H new ATOM 0 HG SER A 11 -19.100 -10.917 15.569 1.00 54.15 H new ATOM 158 N LYS A 12 -14.614 -9.393 14.326 1.00 13.04 N ATOM 159 CA LYS A 12 -13.558 -8.877 15.159 1.00 64.25 C ATOM 160 C LYS A 12 -13.473 -7.352 15.009 1.00 22.14 C ATOM 161 O LYS A 12 -13.500 -6.833 13.887 1.00 1.23 O ATOM 162 CB LYS A 12 -12.235 -9.544 14.697 1.00 75.14 C ATOM 163 CG LYS A 12 -11.120 -9.668 15.743 1.00 50.24 C ATOM 164 CD LYS A 12 -10.661 -8.351 16.316 1.00 51.23 C ATOM 165 CE LYS A 12 -9.548 -8.554 17.331 1.00 41.20 C ATOM 166 NZ LYS A 12 -9.946 -9.446 18.438 1.00 61.03 N ATOM 0 H LYS A 12 -14.734 -8.927 13.427 1.00 13.04 H new ATOM 0 HA LYS A 12 -13.747 -9.099 16.209 1.00 64.25 H new ATOM 0 HB2 LYS A 12 -12.469 -10.543 14.330 1.00 75.14 H new ATOM 0 HB3 LYS A 12 -11.846 -8.977 13.852 1.00 75.14 H new ATOM 0 HG2 LYS A 12 -11.470 -10.303 16.557 1.00 50.24 H new ATOM 0 HG3 LYS A 12 -10.266 -10.172 15.290 1.00 50.24 H new ATOM 0 HD2 LYS A 12 -10.311 -7.704 15.512 1.00 51.23 H new ATOM 0 HD3 LYS A 12 -11.502 -7.844 16.790 1.00 51.23 H new ATOM 0 HE2 LYS A 12 -8.675 -8.971 16.829 1.00 41.20 H new ATOM 0 HE3 LYS A 12 -9.251 -7.587 17.737 1.00 41.20 H new ATOM 0 HZ1 LYS A 12 -9.257 -9.367 19.213 1.00 61.03 H new ATOM 0 HZ2 LYS A 12 -10.888 -9.172 18.783 1.00 61.03 H new ATOM 0 HZ3 LYS A 12 -9.974 -10.429 18.099 1.00 61.03 H new ATOM 180 N MET A 13 -13.394 -6.650 16.143 1.00 64.10 N ATOM 181 CA MET A 13 -13.199 -5.203 16.146 1.00 74.23 C ATOM 182 C MET A 13 -11.867 -4.881 15.496 1.00 3.23 C ATOM 183 O MET A 13 -10.804 -5.224 16.024 1.00 51.34 O ATOM 184 CB MET A 13 -13.260 -4.629 17.563 1.00 14.14 C ATOM 185 CG MET A 13 -14.598 -4.805 18.251 1.00 4.12 C ATOM 186 SD MET A 13 -14.604 -4.143 19.926 1.00 61.45 S ATOM 187 CE MET A 13 -16.295 -4.477 20.403 1.00 51.11 C ATOM 0 H MET A 13 -13.463 -7.065 17.072 1.00 64.10 H new ATOM 0 HA MET A 13 -14.006 -4.741 15.578 1.00 74.23 H new ATOM 0 HB2 MET A 13 -12.488 -5.105 18.168 1.00 14.14 H new ATOM 0 HB3 MET A 13 -13.023 -3.566 17.522 1.00 14.14 H new ATOM 0 HG2 MET A 13 -15.372 -4.310 17.665 1.00 4.12 H new ATOM 0 HG3 MET A 13 -14.851 -5.865 18.282 1.00 4.12 H new ATOM 0 HE1 MET A 13 -16.462 -4.125 21.421 1.00 51.11 H new ATOM 0 HE2 MET A 13 -16.973 -3.960 19.724 1.00 51.11 H new ATOM 0 HE3 MET A 13 -16.482 -5.550 20.355 1.00 51.11 H new ATOM 197 N THR A 14 -11.940 -4.242 14.361 1.00 3.32 N ATOM 198 CA THR A 14 -10.808 -4.014 13.514 1.00 21.41 C ATOM 199 C THR A 14 -9.792 -2.967 14.059 1.00 74.04 C ATOM 200 O THR A 14 -8.771 -3.352 14.638 1.00 0.02 O ATOM 201 CB THR A 14 -11.306 -3.633 12.113 1.00 61.51 C ATOM 202 OG1 THR A 14 -12.216 -4.658 11.650 1.00 74.04 O ATOM 203 CG2 THR A 14 -10.166 -3.488 11.136 1.00 43.31 C ATOM 0 H THR A 14 -12.810 -3.857 13.993 1.00 3.32 H new ATOM 0 HA THR A 14 -10.242 -4.945 13.479 1.00 21.41 H new ATOM 0 HB THR A 14 -11.811 -2.669 12.175 1.00 61.51 H new ATOM 0 HG1 THR A 14 -12.543 -4.426 10.756 1.00 74.04 H new ATOM 0 HG21 THR A 14 -10.559 -3.218 10.156 1.00 43.31 H new ATOM 0 HG22 THR A 14 -9.487 -2.709 11.482 1.00 43.31 H new ATOM 0 HG23 THR A 14 -9.627 -4.433 11.063 1.00 43.31 H new ATOM 211 N ALA A 15 -10.120 -1.665 13.899 1.00 22.25 N ATOM 212 CA ALA A 15 -9.213 -0.537 14.225 1.00 31.22 C ATOM 213 C ALA A 15 -7.851 -0.693 13.573 1.00 24.53 C ATOM 214 O ALA A 15 -6.922 -1.315 14.145 1.00 71.23 O ATOM 215 CB ALA A 15 -9.050 -0.321 15.700 1.00 52.21 C ATOM 0 H ALA A 15 -11.025 -1.364 13.538 1.00 22.25 H new ATOM 0 HA ALA A 15 -9.699 0.348 13.814 1.00 31.22 H new ATOM 0 HB1 ALA A 15 -8.375 0.517 15.873 1.00 52.21 H new ATOM 0 HB2 ALA A 15 -10.021 -0.103 16.145 1.00 52.21 H new ATOM 0 HB3 ALA A 15 -8.635 -1.220 16.156 1.00 52.21 H new ATOM 221 N GLY A 16 -7.709 -0.135 12.413 1.00 4.31 N ATOM 222 CA GLY A 16 -6.526 -0.291 11.709 1.00 15.21 C ATOM 223 C GLY A 16 -6.247 0.891 10.879 1.00 73.12 C ATOM 224 O GLY A 16 -7.124 1.733 10.665 1.00 20.01 O ATOM 0 H GLY A 16 -8.418 0.433 11.950 1.00 4.31 H new ATOM 0 HA2 GLY A 16 -5.703 -0.454 12.405 1.00 15.21 H new ATOM 0 HA3 GLY A 16 -6.589 -1.177 11.077 1.00 15.21 H new ATOM 228 N ALA A 17 -5.037 0.954 10.446 1.00 72.02 N ATOM 229 CA ALA A 17 -4.510 1.994 9.572 1.00 14.23 C ATOM 230 C ALA A 17 -4.227 3.296 10.308 1.00 52.52 C ATOM 231 O ALA A 17 -5.077 4.199 10.391 1.00 3.52 O ATOM 232 CB ALA A 17 -5.330 2.204 8.289 1.00 64.31 C ATOM 0 H ALA A 17 -4.336 0.255 10.693 1.00 72.02 H new ATOM 0 HA ALA A 17 -3.545 1.616 9.234 1.00 14.23 H new ATOM 0 HB1 ALA A 17 -4.875 2.994 7.691 1.00 64.31 H new ATOM 0 HB2 ALA A 17 -5.349 1.278 7.714 1.00 64.31 H new ATOM 0 HB3 ALA A 17 -6.349 2.489 8.551 1.00 64.31 H new ATOM 238 N TYR A 18 -3.035 3.365 10.871 1.00 34.52 N ATOM 239 CA TYR A 18 -2.585 4.526 11.622 1.00 14.41 C ATOM 240 C TYR A 18 -1.280 5.023 11.039 1.00 45.11 C ATOM 241 O TYR A 18 -1.170 6.163 10.631 1.00 42.32 O ATOM 242 CB TYR A 18 -2.383 4.171 13.108 1.00 21.31 C ATOM 243 CG TYR A 18 -3.632 3.696 13.817 1.00 72.43 C ATOM 244 CD1 TYR A 18 -4.059 2.382 13.702 1.00 61.41 C ATOM 245 CD2 TYR A 18 -4.376 4.557 14.610 1.00 60.25 C ATOM 246 CE1 TYR A 18 -5.185 1.940 14.348 1.00 61.31 C ATOM 247 CE2 TYR A 18 -5.510 4.118 15.262 1.00 21.33 C ATOM 248 CZ TYR A 18 -5.906 2.804 15.125 1.00 40.23 C ATOM 249 OH TYR A 18 -7.021 2.352 15.774 1.00 64.14 O ATOM 0 H TYR A 18 -2.347 2.614 10.821 1.00 34.52 H new ATOM 0 HA TYR A 18 -3.345 5.304 11.553 1.00 14.41 H new ATOM 0 HB2 TYR A 18 -1.621 3.395 13.182 1.00 21.31 H new ATOM 0 HB3 TYR A 18 -1.997 5.048 13.628 1.00 21.31 H new ATOM 0 HD1 TYR A 18 -3.494 1.693 13.092 1.00 61.41 H new ATOM 0 HD2 TYR A 18 -4.063 5.585 14.719 1.00 60.25 H new ATOM 0 HE1 TYR A 18 -5.501 0.913 14.243 1.00 61.31 H new ATOM 0 HE2 TYR A 18 -6.083 4.798 15.875 1.00 21.33 H new ATOM 0 HH TYR A 18 -6.753 1.803 16.540 1.00 64.14 H new ATOM 259 N THR A 19 -0.287 4.156 11.030 1.00 31.10 N ATOM 260 CA THR A 19 0.995 4.462 10.455 1.00 1.15 C ATOM 261 C THR A 19 0.850 4.674 8.942 1.00 0.13 C ATOM 262 O THR A 19 0.649 3.718 8.188 1.00 74.45 O ATOM 263 CB THR A 19 1.968 3.297 10.716 1.00 74.34 C ATOM 264 OG1 THR A 19 1.951 2.974 12.116 1.00 62.20 O ATOM 265 CG2 THR A 19 3.388 3.669 10.300 1.00 51.24 C ATOM 0 H THR A 19 -0.353 3.218 11.424 1.00 31.10 H new ATOM 0 HA THR A 19 1.383 5.373 10.911 1.00 1.15 H new ATOM 0 HB THR A 19 1.650 2.437 10.126 1.00 74.34 H new ATOM 0 HG1 THR A 19 2.567 2.232 12.288 1.00 62.20 H new ATOM 0 HG21 THR A 19 4.056 2.830 10.494 1.00 51.24 H new ATOM 0 HG22 THR A 19 3.405 3.907 9.237 1.00 51.24 H new ATOM 0 HG23 THR A 19 3.719 4.536 10.871 1.00 51.24 H new ATOM 273 N GLU A 20 0.936 5.915 8.518 1.00 3.33 N ATOM 274 CA GLU A 20 0.803 6.265 7.118 1.00 11.40 C ATOM 275 C GLU A 20 2.157 6.820 6.581 1.00 14.41 C ATOM 276 O GLU A 20 2.240 7.339 5.471 1.00 21.44 O ATOM 277 CB GLU A 20 -0.431 7.229 6.897 1.00 74.53 C ATOM 278 CG GLU A 20 -1.806 6.540 7.204 1.00 51.31 C ATOM 279 CD GLU A 20 -3.076 7.429 7.047 1.00 24.34 C ATOM 280 OE1 GLU A 20 -3.466 7.763 5.897 1.00 24.53 O ATOM 281 OE2 GLU A 20 -3.731 7.767 8.090 1.00 52.33 O ATOM 0 H GLU A 20 1.100 6.712 9.133 1.00 3.33 H new ATOM 0 HA GLU A 20 0.582 5.376 6.527 1.00 11.40 H new ATOM 0 HB2 GLU A 20 -0.319 8.106 7.535 1.00 74.53 H new ATOM 0 HB3 GLU A 20 -0.430 7.582 5.866 1.00 74.53 H new ATOM 0 HG2 GLU A 20 -1.910 5.677 6.547 1.00 51.31 H new ATOM 0 HG3 GLU A 20 -1.778 6.161 8.226 1.00 51.31 H new ATOM 288 N GLY A 21 3.227 6.605 7.395 1.00 2.54 N ATOM 289 CA GLY A 21 4.629 7.016 7.073 1.00 22.10 C ATOM 290 C GLY A 21 4.859 8.486 7.265 1.00 34.22 C ATOM 291 O GLY A 21 4.618 8.999 8.362 1.00 53.40 O ATOM 0 H GLY A 21 3.144 6.139 8.299 1.00 2.54 H new ATOM 0 HA2 GLY A 21 5.321 6.458 7.704 1.00 22.10 H new ATOM 0 HA3 GLY A 21 4.854 6.749 6.040 1.00 22.10 H new ATOM 295 N PRO A 22 5.361 9.193 6.224 1.00 11.24 N ATOM 296 CA PRO A 22 5.574 10.640 6.285 1.00 73.53 C ATOM 297 C PRO A 22 4.295 11.417 6.740 1.00 4.14 C ATOM 298 O PRO A 22 4.373 12.186 7.710 1.00 24.43 O ATOM 299 CB PRO A 22 6.043 11.019 4.866 1.00 14.54 C ATOM 300 CG PRO A 22 6.586 9.745 4.302 1.00 23.35 C ATOM 301 CD PRO A 22 5.785 8.629 4.924 1.00 33.31 C ATOM 0 HA PRO A 22 6.313 10.916 7.037 1.00 73.53 H new ATOM 0 HB2 PRO A 22 5.219 11.401 4.264 1.00 14.54 H new ATOM 0 HB3 PRO A 22 6.805 11.798 4.894 1.00 14.54 H new ATOM 0 HG2 PRO A 22 6.494 9.731 3.216 1.00 23.35 H new ATOM 0 HG3 PRO A 22 7.646 9.638 4.534 1.00 23.35 H new ATOM 0 HD2 PRO A 22 4.929 8.356 4.306 1.00 33.31 H new ATOM 0 HD3 PRO A 22 6.385 7.728 5.054 1.00 33.31 H new ATOM 309 N PRO A 23 3.092 11.237 6.075 1.00 53.12 N ATOM 310 CA PRO A 23 1.861 11.837 6.568 1.00 41.42 C ATOM 311 C PRO A 23 1.439 11.172 7.860 1.00 1.15 C ATOM 312 O PRO A 23 1.567 9.947 8.025 1.00 72.10 O ATOM 313 CB PRO A 23 0.831 11.553 5.455 1.00 33.22 C ATOM 314 CG PRO A 23 1.363 10.375 4.738 1.00 62.01 C ATOM 315 CD PRO A 23 2.854 10.480 4.820 1.00 1.42 C ATOM 0 HA PRO A 23 1.964 12.901 6.780 1.00 41.42 H new ATOM 0 HB2 PRO A 23 -0.155 11.350 5.872 1.00 33.22 H new ATOM 0 HB3 PRO A 23 0.725 12.408 4.787 1.00 33.22 H new ATOM 0 HG2 PRO A 23 1.012 9.449 5.194 1.00 62.01 H new ATOM 0 HG3 PRO A 23 1.029 10.366 3.700 1.00 62.01 H new ATOM 0 HD2 PRO A 23 3.322 9.496 4.852 1.00 1.42 H new ATOM 0 HD3 PRO A 23 3.266 11.001 3.955 1.00 1.42 H new ATOM 323 N GLN A 24 0.951 11.953 8.766 1.00 44.11 N ATOM 324 CA GLN A 24 0.506 11.439 10.022 1.00 44.42 C ATOM 325 C GLN A 24 -0.919 10.944 9.835 1.00 45.31 C ATOM 326 O GLN A 24 -1.617 11.414 8.919 1.00 5.32 O ATOM 327 CB GLN A 24 0.555 12.512 11.147 1.00 13.24 C ATOM 328 CG GLN A 24 -0.347 13.720 10.926 1.00 31.24 C ATOM 329 CD GLN A 24 0.159 14.676 9.869 1.00 1.51 C ATOM 330 OE1 GLN A 24 -0.148 14.535 8.690 1.00 74.43 O ATOM 331 NE2 GLN A 24 0.912 15.658 10.283 1.00 44.41 N ATOM 0 H GLN A 24 0.849 12.962 8.659 1.00 44.11 H new ATOM 0 HA GLN A 24 1.169 10.632 10.333 1.00 44.42 H new ATOM 0 HB2 GLN A 24 0.280 12.040 12.090 1.00 13.24 H new ATOM 0 HB3 GLN A 24 1.583 12.860 11.252 1.00 13.24 H new ATOM 0 HG2 GLN A 24 -1.340 13.373 10.642 1.00 31.24 H new ATOM 0 HG3 GLN A 24 -0.454 14.258 11.868 1.00 31.24 H new ATOM 0 HE21 GLN A 24 1.145 15.740 11.273 1.00 44.41 H new ATOM 0 HE22 GLN A 24 1.268 16.344 9.617 1.00 44.41 H new ATOM 340 N PRO A 25 -1.368 9.991 10.651 1.00 51.33 N ATOM 341 CA PRO A 25 -2.729 9.483 10.572 1.00 25.31 C ATOM 342 C PRO A 25 -3.723 10.610 10.754 1.00 31.02 C ATOM 343 O PRO A 25 -3.624 11.384 11.725 1.00 62.00 O ATOM 344 CB PRO A 25 -2.834 8.506 11.758 1.00 20.31 C ATOM 345 CG PRO A 25 -1.654 8.810 12.622 1.00 52.24 C ATOM 346 CD PRO A 25 -0.593 9.323 11.702 1.00 13.00 C ATOM 0 HA PRO A 25 -2.943 9.016 9.611 1.00 25.31 H new ATOM 0 HB2 PRO A 25 -3.768 8.647 12.303 1.00 20.31 H new ATOM 0 HB3 PRO A 25 -2.817 7.471 11.418 1.00 20.31 H new ATOM 0 HG2 PRO A 25 -1.906 9.552 13.380 1.00 52.24 H new ATOM 0 HG3 PRO A 25 -1.316 7.918 13.149 1.00 52.24 H new ATOM 0 HD2 PRO A 25 0.081 10.014 12.208 1.00 13.00 H new ATOM 0 HD3 PRO A 25 0.020 8.515 11.301 1.00 13.00 H new ATOM 354 N LEU A 26 -4.666 10.727 9.845 1.00 14.41 N ATOM 355 CA LEU A 26 -5.666 11.766 9.961 1.00 24.52 C ATOM 356 C LEU A 26 -6.643 11.473 11.103 1.00 62.12 C ATOM 357 O LEU A 26 -6.533 10.426 11.771 1.00 74.21 O ATOM 358 CB LEU A 26 -6.343 12.195 8.597 1.00 52.12 C ATOM 359 CG LEU A 26 -7.070 11.166 7.689 1.00 1.43 C ATOM 360 CD1 LEU A 26 -6.151 10.090 7.168 1.00 1.14 C ATOM 361 CD2 LEU A 26 -8.269 10.574 8.369 1.00 74.35 C ATOM 0 H LEU A 26 -4.762 10.124 9.028 1.00 14.41 H new ATOM 0 HA LEU A 26 -5.133 12.675 10.241 1.00 24.52 H new ATOM 0 HB2 LEU A 26 -7.067 12.974 8.835 1.00 52.12 H new ATOM 0 HB3 LEU A 26 -5.565 12.658 7.990 1.00 52.12 H new ATOM 0 HG LEU A 26 -7.419 11.725 6.821 1.00 1.43 H new ATOM 0 HD11 LEU A 26 -6.716 9.401 6.540 1.00 1.14 H new ATOM 0 HD12 LEU A 26 -5.354 10.545 6.581 1.00 1.14 H new ATOM 0 HD13 LEU A 26 -5.718 9.544 8.006 1.00 1.14 H new ATOM 0 HD21 LEU A 26 -8.750 9.859 7.701 1.00 74.35 H new ATOM 0 HD22 LEU A 26 -7.956 10.065 9.281 1.00 74.35 H new ATOM 0 HD23 LEU A 26 -8.973 11.367 8.620 1.00 74.35 H new ATOM 373 N SER A 27 -7.569 12.356 11.331 1.00 65.42 N ATOM 374 CA SER A 27 -8.421 12.268 12.492 1.00 24.22 C ATOM 375 C SER A 27 -9.333 11.020 12.506 1.00 22.11 C ATOM 376 O SER A 27 -9.804 10.546 11.459 1.00 24.53 O ATOM 377 CB SER A 27 -9.225 13.536 12.592 1.00 73.53 C ATOM 378 OG SER A 27 -8.365 14.666 12.736 1.00 41.22 O ATOM 0 H SER A 27 -7.759 13.155 10.726 1.00 65.42 H new ATOM 0 HA SER A 27 -7.781 12.152 13.367 1.00 24.22 H new ATOM 0 HB2 SER A 27 -9.842 13.653 11.701 1.00 73.53 H new ATOM 0 HB3 SER A 27 -9.903 13.477 13.444 1.00 73.53 H new ATOM 0 HG SER A 27 -8.904 15.482 12.798 1.00 41.22 H new ATOM 384 N ALA A 28 -9.538 10.500 13.713 1.00 23.45 N ATOM 385 CA ALA A 28 -10.371 9.326 13.963 1.00 63.11 C ATOM 386 C ALA A 28 -11.766 9.461 13.385 1.00 31.45 C ATOM 387 O ALA A 28 -12.241 8.546 12.713 1.00 44.35 O ATOM 388 CB ALA A 28 -10.444 9.002 15.447 1.00 31.21 C ATOM 0 H ALA A 28 -9.123 10.889 14.560 1.00 23.45 H new ATOM 0 HA ALA A 28 -9.886 8.498 13.447 1.00 63.11 H new ATOM 0 HB1 ALA A 28 -11.071 8.123 15.597 1.00 31.21 H new ATOM 0 HB2 ALA A 28 -9.442 8.801 15.825 1.00 31.21 H new ATOM 0 HB3 ALA A 28 -10.871 9.849 15.984 1.00 31.21 H new ATOM 394 N GLU A 29 -12.418 10.597 13.600 1.00 53.12 N ATOM 395 CA GLU A 29 -13.762 10.775 13.066 1.00 74.53 C ATOM 396 C GLU A 29 -13.793 10.841 11.557 1.00 25.31 C ATOM 397 O GLU A 29 -14.774 10.423 10.928 1.00 43.11 O ATOM 398 CB GLU A 29 -14.544 11.919 13.690 1.00 3.35 C ATOM 399 CG GLU A 29 -14.992 11.666 15.109 1.00 24.23 C ATOM 400 CD GLU A 29 -14.122 12.285 16.141 1.00 31.13 C ATOM 401 OE1 GLU A 29 -13.142 11.656 16.555 1.00 12.22 O ATOM 402 OE2 GLU A 29 -14.430 13.403 16.567 1.00 25.40 O ATOM 0 H GLU A 29 -12.050 11.390 14.126 1.00 53.12 H new ATOM 0 HA GLU A 29 -14.284 9.866 13.365 1.00 74.53 H new ATOM 0 HB2 GLU A 29 -13.927 12.818 13.671 1.00 3.35 H new ATOM 0 HB3 GLU A 29 -15.421 12.121 13.075 1.00 3.35 H new ATOM 0 HG2 GLU A 29 -16.007 12.044 15.231 1.00 24.23 H new ATOM 0 HG3 GLU A 29 -15.030 10.590 15.280 1.00 24.23 H new ATOM 409 N GLU A 30 -12.743 11.353 10.973 1.00 23.44 N ATOM 410 CA GLU A 30 -12.607 11.364 9.529 1.00 11.54 C ATOM 411 C GLU A 30 -12.493 9.959 9.005 1.00 43.41 C ATOM 412 O GLU A 30 -13.088 9.625 7.991 1.00 41.10 O ATOM 413 CB GLU A 30 -11.412 12.199 9.096 1.00 70.10 C ATOM 414 CG GLU A 30 -11.674 13.683 9.005 1.00 61.43 C ATOM 415 CD GLU A 30 -12.262 14.288 10.270 1.00 63.32 C ATOM 416 OE1 GLU A 30 -11.510 14.674 11.152 1.00 32.35 O ATOM 417 OE2 GLU A 30 -13.508 14.385 10.379 1.00 61.22 O ATOM 0 H GLU A 30 -11.960 11.773 11.474 1.00 23.44 H new ATOM 0 HA GLU A 30 -13.502 11.822 9.107 1.00 11.54 H new ATOM 0 HB2 GLU A 30 -10.596 12.031 9.799 1.00 70.10 H new ATOM 0 HB3 GLU A 30 -11.073 11.844 8.123 1.00 70.10 H new ATOM 0 HG2 GLU A 30 -10.739 14.193 8.772 1.00 61.43 H new ATOM 0 HG3 GLU A 30 -12.355 13.871 8.175 1.00 61.43 H new ATOM 424 N LYS A 31 -11.779 9.122 9.744 1.00 71.44 N ATOM 425 CA LYS A 31 -11.616 7.746 9.362 1.00 10.41 C ATOM 426 C LYS A 31 -12.927 7.004 9.512 1.00 61.33 C ATOM 427 O LYS A 31 -13.238 6.140 8.723 1.00 33.33 O ATOM 428 CB LYS A 31 -10.475 7.045 10.130 1.00 14.54 C ATOM 429 CG LYS A 31 -9.072 7.559 9.783 1.00 52.24 C ATOM 430 CD LYS A 31 -7.985 6.815 10.558 1.00 52.31 C ATOM 431 CE LYS A 31 -6.561 7.267 10.183 1.00 41.44 C ATOM 432 NZ LYS A 31 -6.208 6.984 8.757 1.00 72.21 N ATOM 0 H LYS A 31 -11.307 9.382 10.610 1.00 71.44 H new ATOM 0 HA LYS A 31 -11.323 7.730 8.312 1.00 10.41 H new ATOM 0 HB2 LYS A 31 -10.641 7.172 11.200 1.00 14.54 H new ATOM 0 HB3 LYS A 31 -10.518 5.975 9.925 1.00 14.54 H new ATOM 0 HG2 LYS A 31 -8.898 7.445 8.713 1.00 52.24 H new ATOM 0 HG3 LYS A 31 -9.011 8.625 10.004 1.00 52.24 H new ATOM 0 HD2 LYS A 31 -8.139 6.968 11.626 1.00 52.31 H new ATOM 0 HD3 LYS A 31 -8.081 5.745 10.372 1.00 52.31 H new ATOM 0 HE2 LYS A 31 -6.466 8.337 10.368 1.00 41.44 H new ATOM 0 HE3 LYS A 31 -5.845 6.766 10.834 1.00 41.44 H new ATOM 0 HZ1 LYS A 31 -5.196 7.169 8.607 1.00 72.21 H new ATOM 0 HZ2 LYS A 31 -6.414 5.988 8.539 1.00 72.21 H new ATOM 0 HZ3 LYS A 31 -6.768 7.598 8.132 1.00 72.21 H new ATOM 446 N LYS A 32 -13.706 7.360 10.521 1.00 63.32 N ATOM 447 CA LYS A 32 -14.982 6.733 10.759 1.00 51.33 C ATOM 448 C LYS A 32 -16.030 7.038 9.678 1.00 32.03 C ATOM 449 O LYS A 32 -16.791 6.157 9.291 1.00 24.35 O ATOM 450 CB LYS A 32 -15.488 7.135 12.116 1.00 13.01 C ATOM 451 CG LYS A 32 -14.600 6.611 13.200 1.00 14.22 C ATOM 452 CD LYS A 32 -15.014 7.052 14.566 1.00 12.41 C ATOM 453 CE LYS A 32 -16.416 6.601 14.937 1.00 41.32 C ATOM 454 NZ LYS A 32 -16.823 7.070 16.284 1.00 21.32 N ATOM 0 H LYS A 32 -13.466 8.090 11.192 1.00 63.32 H new ATOM 0 HA LYS A 32 -14.822 5.656 10.718 1.00 51.33 H new ATOM 0 HB2 LYS A 32 -15.542 8.222 12.180 1.00 13.01 H new ATOM 0 HB3 LYS A 32 -16.500 6.757 12.257 1.00 13.01 H new ATOM 0 HG2 LYS A 32 -14.596 5.522 13.163 1.00 14.22 H new ATOM 0 HG3 LYS A 32 -13.578 6.940 13.014 1.00 14.22 H new ATOM 0 HD2 LYS A 32 -14.307 6.661 15.298 1.00 12.41 H new ATOM 0 HD3 LYS A 32 -14.962 8.139 14.622 1.00 12.41 H new ATOM 0 HE2 LYS A 32 -17.123 6.975 14.196 1.00 41.32 H new ATOM 0 HE3 LYS A 32 -16.465 5.513 14.904 1.00 41.32 H new ATOM 0 HZ1 LYS A 32 -17.786 6.737 16.491 1.00 21.32 H new ATOM 0 HZ2 LYS A 32 -16.166 6.693 16.996 1.00 21.32 H new ATOM 0 HZ3 LYS A 32 -16.803 8.109 16.310 1.00 21.32 H new ATOM 468 N GLU A 33 -16.073 8.283 9.184 1.00 65.32 N ATOM 469 CA GLU A 33 -17.052 8.642 8.138 1.00 62.23 C ATOM 470 C GLU A 33 -16.697 7.988 6.808 1.00 71.40 C ATOM 471 O GLU A 33 -17.578 7.537 6.065 1.00 23.45 O ATOM 472 CB GLU A 33 -17.175 10.154 7.952 1.00 62.02 C ATOM 473 CG GLU A 33 -17.641 10.921 9.180 1.00 22.21 C ATOM 474 CD GLU A 33 -18.966 10.439 9.737 1.00 61.34 C ATOM 475 OE1 GLU A 33 -19.997 10.504 9.032 1.00 3.11 O ATOM 476 OE2 GLU A 33 -19.003 10.022 10.906 1.00 22.22 O ATOM 0 H GLU A 33 -15.461 9.043 9.479 1.00 65.32 H new ATOM 0 HA GLU A 33 -18.018 8.266 8.477 1.00 62.23 H new ATOM 0 HB2 GLU A 33 -16.206 10.546 7.644 1.00 62.02 H new ATOM 0 HB3 GLU A 33 -17.871 10.348 7.136 1.00 62.02 H new ATOM 0 HG2 GLU A 33 -16.881 10.841 9.957 1.00 22.21 H new ATOM 0 HG3 GLU A 33 -17.727 11.977 8.926 1.00 22.21 H new ATOM 483 N ILE A 34 -15.409 7.936 6.521 1.00 11.11 N ATOM 484 CA ILE A 34 -14.919 7.306 5.301 1.00 12.05 C ATOM 485 C ILE A 34 -15.085 5.782 5.377 1.00 1.32 C ATOM 486 O ILE A 34 -15.369 5.130 4.379 1.00 64.04 O ATOM 487 CB ILE A 34 -13.487 7.760 4.871 1.00 21.44 C ATOM 488 CG1 ILE A 34 -12.439 7.432 5.936 1.00 5.04 C ATOM 489 CG2 ILE A 34 -13.487 9.261 4.555 1.00 51.22 C ATOM 490 CD1 ILE A 34 -11.056 7.993 5.642 1.00 34.24 C ATOM 0 H ILE A 34 -14.678 8.323 7.117 1.00 11.11 H new ATOM 0 HA ILE A 34 -15.548 7.666 4.487 1.00 12.05 H new ATOM 0 HB ILE A 34 -13.216 7.205 3.973 1.00 21.44 H new ATOM 0 HG12 ILE A 34 -12.779 7.819 6.896 1.00 5.04 H new ATOM 0 HG13 ILE A 34 -12.366 6.349 6.037 1.00 5.04 H new ATOM 0 HG21 ILE A 34 -12.485 9.570 4.256 1.00 51.22 H new ATOM 0 HG22 ILE A 34 -14.186 9.462 3.743 1.00 51.22 H new ATOM 0 HG23 ILE A 34 -13.790 9.819 5.441 1.00 51.22 H new ATOM 0 HD11 ILE A 34 -10.373 7.716 6.445 1.00 34.24 H new ATOM 0 HD12 ILE A 34 -10.691 7.587 4.699 1.00 34.24 H new ATOM 0 HD13 ILE A 34 -11.111 9.079 5.572 1.00 34.24 H new ATOM 502 N ASP A 35 -14.944 5.240 6.604 1.00 4.41 N ATOM 503 CA ASP A 35 -15.154 3.800 6.918 1.00 52.21 C ATOM 504 C ASP A 35 -16.549 3.382 6.489 1.00 31.31 C ATOM 505 O ASP A 35 -16.724 2.383 5.817 1.00 61.12 O ATOM 506 CB ASP A 35 -14.993 3.599 8.459 1.00 74.00 C ATOM 507 CG ASP A 35 -15.471 2.246 9.019 1.00 1.31 C ATOM 508 OD1 ASP A 35 -14.681 1.288 9.072 1.00 14.30 O ATOM 509 OD2 ASP A 35 -16.650 2.169 9.477 1.00 2.10 O ATOM 0 H ASP A 35 -14.678 5.792 7.419 1.00 4.41 H new ATOM 0 HA ASP A 35 -14.424 3.191 6.385 1.00 52.21 H new ATOM 0 HB2 ASP A 35 -13.940 3.723 8.713 1.00 74.00 H new ATOM 0 HB3 ASP A 35 -15.539 4.393 8.968 1.00 74.00 H new ATOM 514 N LYS A 36 -17.517 4.230 6.812 1.00 63.21 N ATOM 515 CA LYS A 36 -18.945 3.992 6.527 1.00 3.05 C ATOM 516 C LYS A 36 -19.216 3.727 5.065 1.00 52.44 C ATOM 517 O LYS A 36 -20.131 3.011 4.723 1.00 70.32 O ATOM 518 CB LYS A 36 -19.773 5.198 6.929 1.00 4.22 C ATOM 519 CG LYS A 36 -19.784 5.504 8.396 1.00 74.54 C ATOM 520 CD LYS A 36 -20.596 6.744 8.649 1.00 42.45 C ATOM 521 CE LYS A 36 -20.658 7.073 10.108 1.00 12.42 C ATOM 522 NZ LYS A 36 -21.401 8.322 10.360 1.00 2.01 N ATOM 0 H LYS A 36 -17.341 5.116 7.285 1.00 63.21 H new ATOM 0 HA LYS A 36 -19.219 3.109 7.104 1.00 3.05 H new ATOM 0 HB2 LYS A 36 -19.398 6.071 6.395 1.00 4.22 H new ATOM 0 HB3 LYS A 36 -20.800 5.040 6.599 1.00 4.22 H new ATOM 0 HG2 LYS A 36 -20.203 4.664 8.949 1.00 74.54 H new ATOM 0 HG3 LYS A 36 -18.765 5.645 8.755 1.00 74.54 H new ATOM 0 HD2 LYS A 36 -20.161 7.582 8.104 1.00 42.45 H new ATOM 0 HD3 LYS A 36 -21.606 6.603 8.264 1.00 42.45 H new ATOM 0 HE2 LYS A 36 -21.134 6.253 10.645 1.00 12.42 H new ATOM 0 HE3 LYS A 36 -19.646 7.167 10.502 1.00 12.42 H new ATOM 0 HZ1 LYS A 36 -21.251 8.623 11.344 1.00 2.01 H new ATOM 0 HZ2 LYS A 36 -21.061 9.064 9.716 1.00 2.01 H new ATOM 0 HZ3 LYS A 36 -22.416 8.161 10.198 1.00 2.01 H new ATOM 536 N ARG A 37 -18.416 4.288 4.220 1.00 52.01 N ATOM 537 CA ARG A 37 -18.665 4.244 2.812 1.00 43.43 C ATOM 538 C ARG A 37 -17.534 3.550 2.065 1.00 11.01 C ATOM 539 O ARG A 37 -17.401 3.669 0.856 1.00 10.51 O ATOM 540 CB ARG A 37 -18.925 5.676 2.337 1.00 20.14 C ATOM 541 CG ARG A 37 -17.816 6.647 2.687 1.00 53.33 C ATOM 542 CD ARG A 37 -18.258 8.082 2.532 1.00 51.32 C ATOM 543 NE ARG A 37 -19.321 8.437 3.501 1.00 31.32 N ATOM 544 CZ ARG A 37 -20.230 9.414 3.325 1.00 14.41 C ATOM 545 NH1 ARG A 37 -20.237 10.116 2.212 1.00 31.45 N ATOM 546 NH2 ARG A 37 -21.120 9.682 4.265 1.00 53.04 N ATOM 0 H ARG A 37 -17.569 4.791 4.484 1.00 52.01 H new ATOM 0 HA ARG A 37 -19.547 3.641 2.595 1.00 43.43 H new ATOM 0 HB2 ARG A 37 -19.063 5.671 1.256 1.00 20.14 H new ATOM 0 HB3 ARG A 37 -19.858 6.031 2.776 1.00 20.14 H new ATOM 0 HG2 ARG A 37 -17.493 6.475 3.714 1.00 53.33 H new ATOM 0 HG3 ARG A 37 -16.954 6.461 2.046 1.00 53.33 H new ATOM 0 HD2 ARG A 37 -17.403 8.743 2.672 1.00 51.32 H new ATOM 0 HD3 ARG A 37 -18.622 8.243 1.517 1.00 51.32 H new ATOM 0 HE ARG A 37 -19.368 7.900 4.367 1.00 31.32 H new ATOM 0 HH11 ARG A 37 -19.553 9.920 1.481 1.00 31.45 H new ATOM 0 HH12 ARG A 37 -20.926 10.856 2.080 1.00 31.45 H new ATOM 0 HH21 ARG A 37 -21.122 9.146 5.133 1.00 53.04 H new ATOM 0 HH22 ARG A 37 -21.805 10.424 4.122 1.00 53.04 H new ATOM 560 N SER A 38 -16.744 2.807 2.793 1.00 41.32 N ATOM 561 CA SER A 38 -15.651 2.070 2.226 1.00 12.44 C ATOM 562 C SER A 38 -15.952 0.550 2.200 1.00 10.31 C ATOM 563 O SER A 38 -16.921 0.077 2.813 1.00 50.12 O ATOM 564 CB SER A 38 -14.384 2.371 3.029 1.00 34.01 C ATOM 565 OG SER A 38 -13.247 1.680 2.529 1.00 72.02 O ATOM 0 H SER A 38 -16.843 2.697 3.802 1.00 41.32 H new ATOM 0 HA SER A 38 -15.505 2.380 1.191 1.00 12.44 H new ATOM 0 HB2 SER A 38 -14.191 3.444 3.009 1.00 34.01 H new ATOM 0 HB3 SER A 38 -14.544 2.095 4.071 1.00 34.01 H new ATOM 0 HG SER A 38 -13.302 1.623 1.552 1.00 72.02 H new ATOM 571 N VAL A 39 -15.108 -0.195 1.496 1.00 54.51 N ATOM 572 CA VAL A 39 -15.211 -1.632 1.346 1.00 30.01 C ATOM 573 C VAL A 39 -13.820 -2.309 1.401 1.00 55.22 C ATOM 574 O VAL A 39 -12.786 -1.653 1.259 1.00 44.31 O ATOM 575 CB VAL A 39 -15.945 -2.051 0.032 1.00 0.20 C ATOM 576 CG1 VAL A 39 -17.411 -1.774 0.105 1.00 24.24 C ATOM 577 CG2 VAL A 39 -15.377 -1.331 -1.157 1.00 51.31 C ATOM 0 H VAL A 39 -14.310 0.202 1.000 1.00 54.51 H new ATOM 0 HA VAL A 39 -15.811 -1.976 2.189 1.00 30.01 H new ATOM 0 HB VAL A 39 -15.792 -3.124 -0.081 1.00 0.20 H new ATOM 0 HG11 VAL A 39 -17.886 -2.079 -0.828 1.00 24.24 H new ATOM 0 HG12 VAL A 39 -17.846 -2.333 0.934 1.00 24.24 H new ATOM 0 HG13 VAL A 39 -17.572 -0.708 0.262 1.00 24.24 H new ATOM 0 HG21 VAL A 39 -15.906 -1.642 -2.058 1.00 51.31 H new ATOM 0 HG22 VAL A 39 -15.493 -0.256 -1.021 1.00 51.31 H new ATOM 0 HG23 VAL A 39 -14.319 -1.572 -1.257 1.00 51.31 H new ATOM 587 N TYR A 40 -13.834 -3.605 1.608 1.00 54.21 N ATOM 588 CA TYR A 40 -12.651 -4.458 1.690 1.00 21.12 C ATOM 589 C TYR A 40 -12.666 -5.456 0.556 1.00 51.33 C ATOM 590 O TYR A 40 -13.679 -6.112 0.327 1.00 51.35 O ATOM 591 CB TYR A 40 -12.632 -5.208 3.038 1.00 51.01 C ATOM 592 CG TYR A 40 -11.733 -6.451 3.075 1.00 44.41 C ATOM 593 CD1 TYR A 40 -10.377 -6.362 3.297 1.00 4.12 C ATOM 594 CD2 TYR A 40 -12.278 -7.722 2.884 1.00 40.33 C ATOM 595 CE1 TYR A 40 -9.579 -7.488 3.334 1.00 25.44 C ATOM 596 CE2 TYR A 40 -11.499 -8.855 2.923 1.00 43.44 C ATOM 597 CZ TYR A 40 -10.140 -8.732 3.150 1.00 65.50 C ATOM 598 OH TYR A 40 -9.343 -9.852 3.206 1.00 50.33 O ATOM 0 H TYR A 40 -14.703 -4.125 1.730 1.00 54.21 H new ATOM 0 HA TYR A 40 -11.759 -3.836 1.616 1.00 21.12 H new ATOM 0 HB2 TYR A 40 -12.305 -4.518 3.816 1.00 51.01 H new ATOM 0 HB3 TYR A 40 -13.651 -5.507 3.285 1.00 51.01 H new ATOM 0 HD1 TYR A 40 -9.928 -5.391 3.445 1.00 4.12 H new ATOM 0 HD2 TYR A 40 -13.338 -7.818 2.701 1.00 40.33 H new ATOM 0 HE1 TYR A 40 -8.517 -7.393 3.507 1.00 25.44 H new ATOM 0 HE2 TYR A 40 -11.943 -9.829 2.778 1.00 43.44 H new ATOM 0 HH TYR A 40 -9.891 -10.651 3.057 1.00 50.33 H new ATOM 608 N VAL A 41 -11.584 -5.551 -0.151 1.00 4.00 N ATOM 609 CA VAL A 41 -11.409 -6.469 -1.251 1.00 14.04 C ATOM 610 C VAL A 41 -10.437 -7.537 -0.809 1.00 53.22 C ATOM 611 O VAL A 41 -9.294 -7.231 -0.492 1.00 4.33 O ATOM 612 CB VAL A 41 -10.752 -5.743 -2.450 1.00 62.34 C ATOM 613 CG1 VAL A 41 -10.553 -6.689 -3.630 1.00 14.24 C ATOM 614 CG2 VAL A 41 -11.564 -4.555 -2.878 1.00 31.24 C ATOM 0 H VAL A 41 -10.762 -4.972 0.023 1.00 4.00 H new ATOM 0 HA VAL A 41 -12.378 -6.876 -1.538 1.00 14.04 H new ATOM 0 HB VAL A 41 -9.774 -5.394 -2.117 1.00 62.34 H new ATOM 0 HG11 VAL A 41 -10.090 -6.149 -4.455 1.00 14.24 H new ATOM 0 HG12 VAL A 41 -9.908 -7.515 -3.330 1.00 14.24 H new ATOM 0 HG13 VAL A 41 -11.519 -7.081 -3.949 1.00 14.24 H new ATOM 0 HG21 VAL A 41 -11.077 -4.066 -3.722 1.00 31.24 H new ATOM 0 HG22 VAL A 41 -12.560 -4.883 -3.175 1.00 31.24 H new ATOM 0 HG23 VAL A 41 -11.645 -3.852 -2.049 1.00 31.24 H new ATOM 624 N GLY A 42 -10.868 -8.752 -0.762 1.00 53.33 N ATOM 625 CA GLY A 42 -9.982 -9.797 -0.367 1.00 1.15 C ATOM 626 C GLY A 42 -9.691 -10.771 -1.473 1.00 12.15 C ATOM 627 O GLY A 42 -10.409 -10.821 -2.483 1.00 60.21 O ATOM 0 H GLY A 42 -11.818 -9.046 -0.989 1.00 53.33 H new ATOM 0 HA2 GLY A 42 -9.046 -9.360 -0.020 1.00 1.15 H new ATOM 0 HA3 GLY A 42 -10.416 -10.333 0.477 1.00 1.15 H new ATOM 631 N ASN A 43 -8.634 -11.541 -1.259 1.00 63.45 N ATOM 632 CA ASN A 43 -8.147 -12.605 -2.151 1.00 62.20 C ATOM 633 C ASN A 43 -7.683 -12.068 -3.537 1.00 62.15 C ATOM 634 O ASN A 43 -7.428 -12.836 -4.458 1.00 23.40 O ATOM 635 CB ASN A 43 -9.221 -13.729 -2.261 1.00 34.24 C ATOM 636 CG ASN A 43 -8.717 -15.027 -2.886 1.00 40.24 C ATOM 637 OD1 ASN A 43 -8.168 -15.876 -2.190 1.00 53.42 O ATOM 638 ND2 ASN A 43 -8.960 -15.227 -4.151 1.00 53.23 N ATOM 0 H ASN A 43 -8.060 -11.443 -0.422 1.00 63.45 H new ATOM 0 HA ASN A 43 -7.248 -13.037 -1.710 1.00 62.20 H new ATOM 0 HB2 ASN A 43 -9.605 -13.946 -1.264 1.00 34.24 H new ATOM 0 HB3 ASN A 43 -10.058 -13.357 -2.852 1.00 34.24 H new ATOM 0 HD21 ASN A 43 -8.692 -16.109 -4.589 1.00 53.23 H new ATOM 0 HD22 ASN A 43 -9.418 -14.502 -4.703 1.00 53.23 H new ATOM 645 N VAL A 44 -7.526 -10.751 -3.648 1.00 60.45 N ATOM 646 CA VAL A 44 -7.056 -10.126 -4.891 1.00 15.31 C ATOM 647 C VAL A 44 -5.630 -10.578 -5.181 1.00 14.30 C ATOM 648 O VAL A 44 -4.799 -10.699 -4.281 1.00 71.42 O ATOM 649 CB VAL A 44 -7.195 -8.558 -4.868 1.00 43.41 C ATOM 650 CG1 VAL A 44 -6.355 -7.916 -3.791 1.00 54.34 C ATOM 651 CG2 VAL A 44 -6.886 -7.954 -6.222 1.00 51.34 C ATOM 0 H VAL A 44 -7.717 -10.092 -2.893 1.00 60.45 H new ATOM 0 HA VAL A 44 -7.698 -10.459 -5.707 1.00 15.31 H new ATOM 0 HB VAL A 44 -8.237 -8.347 -4.629 1.00 43.41 H new ATOM 0 HG11 VAL A 44 -6.489 -6.835 -3.821 1.00 54.34 H new ATOM 0 HG12 VAL A 44 -6.663 -8.293 -2.816 1.00 54.34 H new ATOM 0 HG13 VAL A 44 -5.305 -8.156 -3.957 1.00 54.34 H new ATOM 0 HG21 VAL A 44 -6.992 -6.870 -6.170 1.00 51.34 H new ATOM 0 HG22 VAL A 44 -5.865 -8.206 -6.508 1.00 51.34 H new ATOM 0 HG23 VAL A 44 -7.579 -8.351 -6.964 1.00 51.34 H new ATOM 661 N ASP A 45 -5.381 -10.874 -6.420 1.00 31.41 N ATOM 662 CA ASP A 45 -4.113 -11.417 -6.828 1.00 4.25 C ATOM 663 C ASP A 45 -3.145 -10.324 -7.223 1.00 43.24 C ATOM 664 O ASP A 45 -3.555 -9.218 -7.577 1.00 40.05 O ATOM 665 CB ASP A 45 -4.314 -12.416 -7.991 1.00 21.24 C ATOM 666 CG ASP A 45 -3.017 -12.973 -8.541 1.00 15.13 C ATOM 667 OD1 ASP A 45 -2.338 -13.738 -7.843 1.00 53.22 O ATOM 668 OD2 ASP A 45 -2.635 -12.602 -9.656 1.00 1.31 O ATOM 0 H ASP A 45 -6.049 -10.747 -7.180 1.00 31.41 H new ATOM 0 HA ASP A 45 -3.680 -11.946 -5.979 1.00 4.25 H new ATOM 0 HB2 ASP A 45 -4.937 -13.241 -7.647 1.00 21.24 H new ATOM 0 HB3 ASP A 45 -4.857 -11.920 -8.795 1.00 21.24 H new ATOM 673 N TYR A 46 -1.873 -10.669 -7.190 1.00 11.13 N ATOM 674 CA TYR A 46 -0.780 -9.786 -7.571 1.00 54.15 C ATOM 675 C TYR A 46 -0.880 -9.348 -9.032 1.00 24.04 C ATOM 676 O TYR A 46 -0.254 -8.355 -9.444 1.00 21.25 O ATOM 677 CB TYR A 46 0.554 -10.448 -7.304 1.00 64.43 C ATOM 678 CG TYR A 46 1.180 -10.079 -6.003 1.00 70.40 C ATOM 679 CD1 TYR A 46 1.988 -8.969 -5.938 1.00 13.41 C ATOM 680 CD2 TYR A 46 1.000 -10.827 -4.855 1.00 21.30 C ATOM 681 CE1 TYR A 46 2.605 -8.597 -4.790 1.00 3.32 C ATOM 682 CE2 TYR A 46 1.631 -10.460 -3.683 1.00 41.31 C ATOM 683 CZ TYR A 46 2.432 -9.341 -3.664 1.00 53.12 C ATOM 684 OH TYR A 46 3.074 -8.984 -2.510 1.00 50.10 O ATOM 0 H TYR A 46 -1.560 -11.592 -6.891 1.00 11.13 H new ATOM 0 HA TYR A 46 -0.858 -8.888 -6.958 1.00 54.15 H new ATOM 0 HB2 TYR A 46 0.421 -11.529 -7.334 1.00 64.43 H new ATOM 0 HB3 TYR A 46 1.241 -10.189 -8.109 1.00 64.43 H new ATOM 0 HD1 TYR A 46 2.136 -8.376 -6.828 1.00 13.41 H new ATOM 0 HD2 TYR A 46 0.365 -11.700 -4.875 1.00 21.30 H new ATOM 0 HE1 TYR A 46 3.230 -7.716 -4.769 1.00 3.32 H new ATOM 0 HE2 TYR A 46 1.497 -11.047 -2.787 1.00 41.31 H new ATOM 0 HH TYR A 46 3.893 -9.513 -2.414 1.00 50.10 H new ATOM 694 N GLY A 47 -1.644 -10.096 -9.807 1.00 4.43 N ATOM 695 CA GLY A 47 -1.892 -9.757 -11.172 1.00 32.14 C ATOM 696 C GLY A 47 -2.789 -8.544 -11.294 1.00 3.15 C ATOM 697 O GLY A 47 -2.744 -7.836 -12.303 1.00 73.50 O ATOM 0 H GLY A 47 -2.104 -10.952 -9.496 1.00 4.43 H new ATOM 0 HA2 GLY A 47 -0.946 -9.562 -11.676 1.00 32.14 H new ATOM 0 HA3 GLY A 47 -2.354 -10.604 -11.679 1.00 32.14 H new ATOM 701 N SER A 48 -3.591 -8.277 -10.265 1.00 64.23 N ATOM 702 CA SER A 48 -4.459 -7.138 -10.294 1.00 74.52 C ATOM 703 C SER A 48 -3.707 -5.896 -9.790 1.00 52.32 C ATOM 704 O SER A 48 -2.906 -5.975 -8.854 1.00 43.41 O ATOM 705 CB SER A 48 -5.686 -7.427 -9.465 1.00 43.25 C ATOM 706 OG SER A 48 -6.296 -8.632 -9.928 1.00 41.15 O ATOM 0 H SER A 48 -3.646 -8.838 -9.415 1.00 64.23 H new ATOM 0 HA SER A 48 -4.780 -6.935 -11.316 1.00 74.52 H new ATOM 0 HB2 SER A 48 -5.414 -7.524 -8.414 1.00 43.25 H new ATOM 0 HB3 SER A 48 -6.391 -6.598 -9.537 1.00 43.25 H new ATOM 0 HG SER A 48 -6.993 -8.909 -9.297 1.00 41.15 H new ATOM 712 N THR A 49 -3.941 -4.783 -10.431 1.00 62.41 N ATOM 713 CA THR A 49 -3.262 -3.553 -10.114 1.00 52.30 C ATOM 714 C THR A 49 -4.211 -2.569 -9.449 1.00 21.34 C ATOM 715 O THR A 49 -5.415 -2.818 -9.393 1.00 61.22 O ATOM 716 CB THR A 49 -2.708 -2.934 -11.396 1.00 63.13 C ATOM 717 OG1 THR A 49 -3.777 -2.700 -12.322 1.00 3.51 O ATOM 718 CG2 THR A 49 -1.703 -3.862 -12.024 1.00 13.01 C ATOM 0 H THR A 49 -4.613 -4.702 -11.194 1.00 62.41 H new ATOM 0 HA THR A 49 -2.448 -3.773 -9.423 1.00 52.30 H new ATOM 0 HB THR A 49 -2.223 -1.989 -11.150 1.00 63.13 H new ATOM 0 HG1 THR A 49 -3.418 -2.301 -13.142 1.00 3.51 H new ATOM 0 HG21 THR A 49 -1.314 -3.412 -12.937 1.00 13.01 H new ATOM 0 HG22 THR A 49 -0.883 -4.036 -11.327 1.00 13.01 H new ATOM 0 HG23 THR A 49 -2.183 -4.811 -12.263 1.00 13.01 H new ATOM 726 N ALA A 50 -3.685 -1.442 -8.977 1.00 13.02 N ATOM 727 CA ALA A 50 -4.488 -0.433 -8.323 1.00 70.31 C ATOM 728 C ALA A 50 -5.440 0.204 -9.322 1.00 51.23 C ATOM 729 O ALA A 50 -6.611 0.382 -9.033 1.00 72.51 O ATOM 730 CB ALA A 50 -3.580 0.611 -7.696 1.00 21.44 C ATOM 0 H ALA A 50 -2.694 -1.210 -9.040 1.00 13.02 H new ATOM 0 HA ALA A 50 -5.083 -0.895 -7.535 1.00 70.31 H new ATOM 0 HB1 ALA A 50 -4.186 1.371 -7.203 1.00 21.44 H new ATOM 0 HB2 ALA A 50 -2.929 0.134 -6.963 1.00 21.44 H new ATOM 0 HB3 ALA A 50 -2.972 1.078 -8.471 1.00 21.44 H new ATOM 736 N GLN A 51 -4.924 0.542 -10.500 1.00 53.41 N ATOM 737 CA GLN A 51 -5.755 1.082 -11.574 1.00 73.10 C ATOM 738 C GLN A 51 -6.874 0.105 -11.955 1.00 33.32 C ATOM 739 O GLN A 51 -8.024 0.512 -12.142 1.00 20.01 O ATOM 740 CB GLN A 51 -4.901 1.429 -12.809 1.00 14.50 C ATOM 741 CG GLN A 51 -5.729 1.883 -14.006 1.00 3.03 C ATOM 742 CD GLN A 51 -4.920 2.230 -15.238 1.00 13.33 C ATOM 743 OE1 GLN A 51 -5.367 2.019 -16.357 1.00 55.41 O ATOM 744 NE2 GLN A 51 -3.786 2.830 -15.054 1.00 20.11 N ATOM 0 H GLN A 51 -3.936 0.452 -10.736 1.00 53.41 H new ATOM 0 HA GLN A 51 -6.216 1.998 -11.205 1.00 73.10 H new ATOM 0 HB2 GLN A 51 -4.195 2.216 -12.545 1.00 14.50 H new ATOM 0 HB3 GLN A 51 -4.313 0.556 -13.093 1.00 14.50 H new ATOM 0 HG2 GLN A 51 -6.436 1.094 -14.262 1.00 3.03 H new ATOM 0 HG3 GLN A 51 -6.316 2.755 -13.716 1.00 3.03 H new ATOM 0 HE21 GLN A 51 -3.442 2.991 -14.107 1.00 20.11 H new ATOM 0 HE22 GLN A 51 -3.238 3.142 -15.856 1.00 20.11 H new ATOM 753 N ASP A 52 -6.531 -1.170 -12.033 1.00 32.23 N ATOM 754 CA ASP A 52 -7.484 -2.215 -12.411 1.00 44.22 C ATOM 755 C ASP A 52 -8.577 -2.302 -11.345 1.00 72.34 C ATOM 756 O ASP A 52 -9.762 -2.473 -11.644 1.00 1.02 O ATOM 757 CB ASP A 52 -6.762 -3.538 -12.495 1.00 2.40 C ATOM 758 CG ASP A 52 -7.351 -4.459 -13.507 1.00 50.13 C ATOM 759 OD1 ASP A 52 -6.948 -4.409 -14.684 1.00 44.31 O ATOM 760 OD2 ASP A 52 -8.178 -5.257 -13.156 1.00 0.14 O ATOM 0 H ASP A 52 -5.591 -1.515 -11.838 1.00 32.23 H new ATOM 0 HA ASP A 52 -7.929 -1.979 -13.378 1.00 44.22 H new ATOM 0 HB2 ASP A 52 -5.715 -3.359 -12.740 1.00 2.40 H new ATOM 0 HB3 ASP A 52 -6.783 -4.020 -11.517 1.00 2.40 H new ATOM 765 N LEU A 53 -8.158 -2.135 -10.100 1.00 74.32 N ATOM 766 CA LEU A 53 -9.051 -2.129 -8.959 1.00 2.12 C ATOM 767 C LEU A 53 -9.935 -0.910 -8.969 1.00 75.40 C ATOM 768 O LEU A 53 -11.168 -1.023 -8.807 1.00 14.13 O ATOM 769 CB LEU A 53 -8.236 -2.152 -7.663 1.00 20.02 C ATOM 770 CG LEU A 53 -7.680 -3.498 -7.240 1.00 21.35 C ATOM 771 CD1 LEU A 53 -6.643 -3.310 -6.144 1.00 74.42 C ATOM 772 CD2 LEU A 53 -8.816 -4.353 -6.728 1.00 60.15 C ATOM 0 H LEU A 53 -7.177 -1.999 -9.854 1.00 74.32 H new ATOM 0 HA LEU A 53 -9.681 -3.016 -9.018 1.00 2.12 H new ATOM 0 HB2 LEU A 53 -7.403 -1.457 -7.771 1.00 20.02 H new ATOM 0 HB3 LEU A 53 -8.865 -1.774 -6.857 1.00 20.02 H new ATOM 0 HG LEU A 53 -7.204 -3.984 -8.092 1.00 21.35 H new ATOM 0 HD11 LEU A 53 -6.249 -4.281 -5.846 1.00 74.42 H new ATOM 0 HD12 LEU A 53 -5.830 -2.687 -6.516 1.00 74.42 H new ATOM 0 HD13 LEU A 53 -7.106 -2.827 -5.284 1.00 74.42 H new ATOM 0 HD21 LEU A 53 -8.430 -5.325 -6.420 1.00 60.15 H new ATOM 0 HD22 LEU A 53 -9.285 -3.862 -5.875 1.00 60.15 H new ATOM 0 HD23 LEU A 53 -9.554 -4.490 -7.519 1.00 60.15 H new ATOM 784 N GLU A 54 -9.331 0.255 -9.178 1.00 2.52 N ATOM 785 CA GLU A 54 -10.058 1.489 -9.181 1.00 42.31 C ATOM 786 C GLU A 54 -11.100 1.499 -10.255 1.00 1.32 C ATOM 787 O GLU A 54 -12.235 1.760 -9.976 1.00 40.24 O ATOM 788 CB GLU A 54 -9.109 2.654 -9.408 1.00 63.22 C ATOM 789 CG GLU A 54 -9.786 4.011 -9.313 1.00 30.23 C ATOM 790 CD GLU A 54 -8.894 5.150 -9.658 1.00 3.33 C ATOM 791 OE1 GLU A 54 -8.080 5.552 -8.841 1.00 52.24 O ATOM 792 OE2 GLU A 54 -9.001 5.678 -10.783 1.00 14.31 O ATOM 0 H GLU A 54 -8.330 0.355 -9.348 1.00 2.52 H new ATOM 0 HA GLU A 54 -10.546 1.588 -8.212 1.00 42.31 H new ATOM 0 HB2 GLU A 54 -8.304 2.606 -8.675 1.00 63.22 H new ATOM 0 HB3 GLU A 54 -8.650 2.553 -10.392 1.00 63.22 H new ATOM 0 HG2 GLU A 54 -10.650 4.023 -9.978 1.00 30.23 H new ATOM 0 HG3 GLU A 54 -10.162 4.149 -8.299 1.00 30.23 H new ATOM 799 N ALA A 55 -10.716 1.155 -11.463 1.00 10.01 N ATOM 800 CA ALA A 55 -11.632 1.156 -12.596 1.00 32.50 C ATOM 801 C ALA A 55 -12.827 0.257 -12.336 1.00 72.40 C ATOM 802 O ALA A 55 -13.996 0.622 -12.624 1.00 75.25 O ATOM 803 CB ALA A 55 -10.902 0.723 -13.857 1.00 53.21 C ATOM 0 H ALA A 55 -9.765 0.867 -11.694 1.00 10.01 H new ATOM 0 HA ALA A 55 -12.004 2.171 -12.734 1.00 32.50 H new ATOM 0 HB1 ALA A 55 -11.595 0.727 -14.698 1.00 53.21 H new ATOM 0 HB2 ALA A 55 -10.083 1.413 -14.058 1.00 53.21 H new ATOM 0 HB3 ALA A 55 -10.504 -0.282 -13.720 1.00 53.21 H new ATOM 809 N HIS A 56 -12.553 -0.873 -11.728 1.00 21.41 N ATOM 810 CA HIS A 56 -13.569 -1.874 -11.492 1.00 55.31 C ATOM 811 C HIS A 56 -14.583 -1.383 -10.451 1.00 24.35 C ATOM 812 O HIS A 56 -15.778 -1.591 -10.599 1.00 40.44 O ATOM 813 CB HIS A 56 -12.920 -3.210 -11.071 1.00 32.40 C ATOM 814 CG HIS A 56 -13.866 -4.371 -11.037 1.00 53.15 C ATOM 815 ND1 HIS A 56 -14.105 -5.174 -12.128 1.00 41.54 N ATOM 816 CD2 HIS A 56 -14.625 -4.867 -10.041 1.00 61.14 C ATOM 817 CE1 HIS A 56 -14.969 -6.108 -11.804 1.00 44.31 C ATOM 818 NE2 HIS A 56 -15.297 -5.944 -10.545 1.00 44.54 N ATOM 0 H HIS A 56 -11.626 -1.124 -11.385 1.00 21.41 H new ATOM 0 HA HIS A 56 -14.113 -2.047 -12.420 1.00 55.31 H new ATOM 0 HB2 HIS A 56 -12.107 -3.439 -11.760 1.00 32.40 H new ATOM 0 HB3 HIS A 56 -12.476 -3.089 -10.083 1.00 32.40 H new ATOM 0 HD2 HIS A 56 -14.690 -4.485 -9.033 1.00 61.14 H new ATOM 0 HE1 HIS A 56 -15.345 -6.878 -12.461 1.00 44.31 H new ATOM 0 HE2 HIS A 56 -15.951 -6.529 -10.024 1.00 44.54 H new ATOM 827 N PHE A 57 -14.101 -0.734 -9.410 1.00 13.50 N ATOM 828 CA PHE A 57 -14.970 -0.182 -8.368 1.00 74.15 C ATOM 829 C PHE A 57 -15.559 1.188 -8.739 1.00 72.13 C ATOM 830 O PHE A 57 -16.618 1.591 -8.246 1.00 21.12 O ATOM 831 CB PHE A 57 -14.309 -0.198 -6.999 1.00 12.43 C ATOM 832 CG PHE A 57 -14.282 -1.568 -6.376 1.00 75.32 C ATOM 833 CD1 PHE A 57 -15.377 -2.018 -5.686 1.00 64.20 C ATOM 834 CD2 PHE A 57 -13.184 -2.397 -6.479 1.00 62.41 C ATOM 835 CE1 PHE A 57 -15.387 -3.268 -5.102 1.00 14.32 C ATOM 836 CE2 PHE A 57 -13.189 -3.649 -5.895 1.00 24.52 C ATOM 837 CZ PHE A 57 -14.293 -4.078 -5.206 1.00 12.51 C ATOM 0 H PHE A 57 -13.106 -0.571 -9.255 1.00 13.50 H new ATOM 0 HA PHE A 57 -15.827 -0.852 -8.298 1.00 74.15 H new ATOM 0 HB2 PHE A 57 -13.289 0.174 -7.090 1.00 12.43 H new ATOM 0 HB3 PHE A 57 -14.840 0.486 -6.337 1.00 12.43 H new ATOM 0 HD1 PHE A 57 -16.247 -1.384 -5.598 1.00 64.20 H new ATOM 0 HD2 PHE A 57 -12.312 -2.064 -7.022 1.00 62.41 H new ATOM 0 HE1 PHE A 57 -16.260 -3.605 -4.563 1.00 14.32 H new ATOM 0 HE2 PHE A 57 -12.323 -4.289 -5.981 1.00 24.52 H new ATOM 0 HZ PHE A 57 -14.298 -5.055 -4.746 1.00 12.51 H new ATOM 847 N SER A 58 -14.883 1.861 -9.639 1.00 74.33 N ATOM 848 CA SER A 58 -15.263 3.199 -10.109 1.00 75.35 C ATOM 849 C SER A 58 -16.473 3.136 -10.977 1.00 72.13 C ATOM 850 O SER A 58 -17.151 4.146 -11.181 1.00 43.32 O ATOM 851 CB SER A 58 -14.134 3.949 -10.805 1.00 70.32 C ATOM 852 OG SER A 58 -13.085 4.239 -9.900 1.00 4.05 O ATOM 0 H SER A 58 -14.037 1.500 -10.081 1.00 74.33 H new ATOM 0 HA SER A 58 -15.497 3.774 -9.213 1.00 75.35 H new ATOM 0 HB2 SER A 58 -13.751 3.351 -11.632 1.00 70.32 H new ATOM 0 HB3 SER A 58 -14.517 4.876 -11.232 1.00 70.32 H new ATOM 0 HG SER A 58 -12.633 3.407 -9.646 1.00 4.05 H new ATOM 858 N SER A 59 -16.741 1.951 -11.539 1.00 3.51 N ATOM 859 CA SER A 59 -17.915 1.758 -12.362 1.00 33.25 C ATOM 860 C SER A 59 -19.201 2.095 -11.584 1.00 12.32 C ATOM 861 O SER A 59 -20.255 2.315 -12.181 1.00 3.13 O ATOM 862 CB SER A 59 -17.954 0.327 -12.869 1.00 53.20 C ATOM 863 OG SER A 59 -16.751 0.012 -13.557 1.00 32.00 O ATOM 0 H SER A 59 -16.156 1.122 -11.433 1.00 3.51 H new ATOM 0 HA SER A 59 -17.859 2.437 -13.213 1.00 33.25 H new ATOM 0 HB2 SER A 59 -18.092 -0.358 -12.033 1.00 53.20 H new ATOM 0 HB3 SER A 59 -18.807 0.193 -13.535 1.00 53.20 H new ATOM 0 HG SER A 59 -16.790 -0.914 -13.877 1.00 32.00 H new ATOM 869 N CYS A 60 -19.106 2.139 -10.273 1.00 40.14 N ATOM 870 CA CYS A 60 -20.207 2.541 -9.476 1.00 10.23 C ATOM 871 C CYS A 60 -20.126 4.043 -9.158 1.00 1.31 C ATOM 872 O CYS A 60 -20.849 4.860 -9.755 1.00 5.43 O ATOM 873 CB CYS A 60 -20.287 1.735 -8.188 1.00 21.03 C ATOM 874 SG CYS A 60 -21.644 2.238 -7.128 1.00 54.11 S ATOM 0 H CYS A 60 -18.265 1.897 -9.749 1.00 40.14 H new ATOM 0 HA CYS A 60 -21.114 2.350 -10.049 1.00 10.23 H new ATOM 0 HB2 CYS A 60 -20.397 0.679 -8.433 1.00 21.03 H new ATOM 0 HB3 CYS A 60 -19.349 1.839 -7.642 1.00 21.03 H new ATOM 0 HG CYS A 60 -22.772 1.890 -7.673 1.00 54.11 H new ATOM 880 N GLY A 61 -19.256 4.400 -8.227 1.00 22.44 N ATOM 881 CA GLY A 61 -19.164 5.785 -7.805 1.00 54.45 C ATOM 882 C GLY A 61 -17.770 6.361 -7.790 1.00 3.13 C ATOM 883 O GLY A 61 -16.941 6.037 -8.643 1.00 12.44 O ATOM 0 H GLY A 61 -18.614 3.761 -7.757 1.00 22.44 H new ATOM 0 HA2 GLY A 61 -19.783 6.391 -8.466 1.00 54.45 H new ATOM 0 HA3 GLY A 61 -19.586 5.872 -6.804 1.00 54.45 H new ATOM 887 N SER A 62 -17.504 7.209 -6.805 1.00 71.34 N ATOM 888 CA SER A 62 -16.263 7.945 -6.730 1.00 64.11 C ATOM 889 C SER A 62 -15.342 7.360 -5.654 1.00 45.31 C ATOM 890 O SER A 62 -15.723 7.268 -4.474 1.00 44.51 O ATOM 891 CB SER A 62 -16.580 9.393 -6.369 1.00 0.12 C ATOM 892 OG SER A 62 -17.590 9.924 -7.217 1.00 32.41 O ATOM 0 H SER A 62 -18.148 7.401 -6.038 1.00 71.34 H new ATOM 0 HA SER A 62 -15.757 7.882 -7.693 1.00 64.11 H new ATOM 0 HB2 SER A 62 -16.907 9.449 -5.331 1.00 0.12 H new ATOM 0 HB3 SER A 62 -15.677 9.998 -6.452 1.00 0.12 H new ATOM 0 HG SER A 62 -17.775 10.852 -6.963 1.00 32.41 H new ATOM 898 N ILE A 63 -14.168 6.952 -6.063 1.00 64.31 N ATOM 899 CA ILE A 63 -13.156 6.444 -5.152 1.00 53.14 C ATOM 900 C ILE A 63 -12.310 7.581 -4.533 1.00 23.24 C ATOM 901 O ILE A 63 -11.808 8.463 -5.247 1.00 1.14 O ATOM 902 CB ILE A 63 -12.248 5.405 -5.869 1.00 1.41 C ATOM 903 CG1 ILE A 63 -13.064 4.139 -6.188 1.00 44.11 C ATOM 904 CG2 ILE A 63 -10.990 5.091 -5.065 1.00 44.23 C ATOM 905 CD1 ILE A 63 -12.298 3.057 -6.899 1.00 2.21 C ATOM 0 H ILE A 63 -13.879 6.960 -7.041 1.00 64.31 H new ATOM 0 HA ILE A 63 -13.674 5.947 -4.332 1.00 53.14 H new ATOM 0 HB ILE A 63 -11.900 5.837 -6.807 1.00 1.41 H new ATOM 0 HG12 ILE A 63 -13.458 3.733 -5.256 1.00 44.11 H new ATOM 0 HG13 ILE A 63 -13.921 4.421 -6.800 1.00 44.11 H new ATOM 0 HG21 ILE A 63 -10.386 4.361 -5.604 1.00 44.23 H new ATOM 0 HG22 ILE A 63 -10.413 6.004 -4.921 1.00 44.23 H new ATOM 0 HG23 ILE A 63 -11.271 4.683 -4.094 1.00 44.23 H new ATOM 0 HD11 ILE A 63 -12.954 2.206 -7.081 1.00 2.21 H new ATOM 0 HD12 ILE A 63 -11.927 3.439 -7.850 1.00 2.21 H new ATOM 0 HD13 ILE A 63 -11.457 2.741 -6.282 1.00 2.21 H new ATOM 917 N ASN A 64 -12.192 7.560 -3.207 1.00 33.52 N ATOM 918 CA ASN A 64 -11.381 8.535 -2.443 1.00 51.12 C ATOM 919 C ASN A 64 -9.988 8.023 -2.200 1.00 43.33 C ATOM 920 O ASN A 64 -8.998 8.745 -2.364 1.00 24.21 O ATOM 921 CB ASN A 64 -12.036 8.882 -1.090 1.00 53.23 C ATOM 922 CG ASN A 64 -13.114 9.908 -1.220 1.00 75.44 C ATOM 923 OD1 ASN A 64 -13.737 10.002 -2.227 1.00 75.14 O ATOM 924 ND2 ASN A 64 -13.340 10.678 -0.197 1.00 53.31 N ATOM 0 H ASN A 64 -12.655 6.866 -2.619 1.00 33.52 H new ATOM 0 HA ASN A 64 -11.327 9.437 -3.052 1.00 51.12 H new ATOM 0 HB2 ASN A 64 -12.453 7.976 -0.649 1.00 53.23 H new ATOM 0 HB3 ASN A 64 -11.272 9.248 -0.404 1.00 53.23 H new ATOM 0 HD21 ASN A 64 -14.070 11.388 -0.245 1.00 53.31 H new ATOM 0 HD22 ASN A 64 -12.787 10.572 0.653 1.00 53.31 H new ATOM 931 N ARG A 65 -9.913 6.785 -1.812 1.00 70.24 N ATOM 932 CA ARG A 65 -8.654 6.130 -1.521 1.00 51.30 C ATOM 933 C ARG A 65 -8.745 4.681 -1.829 1.00 72.14 C ATOM 934 O ARG A 65 -9.843 4.116 -1.888 1.00 31.41 O ATOM 935 CB ARG A 65 -8.253 6.227 -0.037 1.00 32.05 C ATOM 936 CG ARG A 65 -7.755 7.564 0.475 1.00 75.14 C ATOM 937 CD ARG A 65 -7.250 7.386 1.907 1.00 42.44 C ATOM 938 NE ARG A 65 -6.569 8.574 2.423 1.00 61.10 N ATOM 939 CZ ARG A 65 -5.663 8.559 3.433 1.00 54.43 C ATOM 940 NH1 ARG A 65 -5.443 7.450 4.117 1.00 64.35 N ATOM 941 NH2 ARG A 65 -4.997 9.664 3.762 1.00 41.24 N ATOM 0 H ARG A 65 -10.729 6.187 -1.684 1.00 70.24 H new ATOM 0 HA ARG A 65 -7.912 6.641 -2.135 1.00 51.30 H new ATOM 0 HB2 ARG A 65 -9.117 5.939 0.563 1.00 32.05 H new ATOM 0 HB3 ARG A 65 -7.475 5.486 0.149 1.00 32.05 H new ATOM 0 HG2 ARG A 65 -6.955 7.938 -0.164 1.00 75.14 H new ATOM 0 HG3 ARG A 65 -8.557 8.302 0.447 1.00 75.14 H new ATOM 0 HD2 ARG A 65 -8.092 7.145 2.556 1.00 42.44 H new ATOM 0 HD3 ARG A 65 -6.567 6.537 1.943 1.00 42.44 H new ATOM 0 HE ARG A 65 -6.790 9.473 1.995 1.00 61.10 H new ATOM 0 HH11 ARG A 65 -5.956 6.599 3.887 1.00 64.35 H new ATOM 0 HH12 ARG A 65 -4.761 7.445 4.875 1.00 64.35 H new ATOM 0 HH21 ARG A 65 -5.166 10.532 3.253 1.00 41.24 H new ATOM 0 HH22 ARG A 65 -4.318 9.643 4.523 1.00 41.24 H new ATOM 955 N ILE A 66 -7.603 4.078 -2.008 1.00 64.24 N ATOM 956 CA ILE A 66 -7.479 2.668 -2.110 1.00 63.30 C ATOM 957 C ILE A 66 -6.164 2.299 -1.466 1.00 53.13 C ATOM 958 O ILE A 66 -5.156 2.982 -1.653 1.00 40.23 O ATOM 959 CB ILE A 66 -7.577 2.042 -3.558 1.00 0.10 C ATOM 960 CG1 ILE A 66 -6.493 2.487 -4.492 1.00 2.24 C ATOM 961 CG2 ILE A 66 -8.929 2.251 -4.204 1.00 73.32 C ATOM 962 CD1 ILE A 66 -6.577 1.797 -5.851 1.00 13.33 C ATOM 0 H ILE A 66 -6.716 4.575 -2.088 1.00 64.24 H new ATOM 0 HA ILE A 66 -8.348 2.243 -1.607 1.00 63.30 H new ATOM 0 HB ILE A 66 -7.438 0.975 -3.386 1.00 0.10 H new ATOM 0 HG12 ILE A 66 -6.557 3.566 -4.631 1.00 2.24 H new ATOM 0 HG13 ILE A 66 -5.522 2.281 -4.042 1.00 2.24 H new ATOM 0 HG21 ILE A 66 -8.932 1.799 -5.196 1.00 73.32 H new ATOM 0 HG22 ILE A 66 -9.701 1.786 -3.591 1.00 73.32 H new ATOM 0 HG23 ILE A 66 -9.129 3.319 -4.292 1.00 73.32 H new ATOM 0 HD11 ILE A 66 -5.770 2.154 -6.491 1.00 13.33 H new ATOM 0 HD12 ILE A 66 -6.485 0.719 -5.718 1.00 13.33 H new ATOM 0 HD13 ILE A 66 -7.536 2.025 -6.316 1.00 13.33 H new ATOM 974 N THR A 67 -6.192 1.299 -0.681 1.00 75.11 N ATOM 975 CA THR A 67 -5.032 0.809 -0.008 1.00 64.25 C ATOM 976 C THR A 67 -4.924 -0.634 -0.367 1.00 34.33 C ATOM 977 O THR A 67 -5.864 -1.387 -0.158 1.00 22.40 O ATOM 978 CB THR A 67 -5.179 0.960 1.522 1.00 31.12 C ATOM 979 OG1 THR A 67 -5.499 2.318 1.837 1.00 63.32 O ATOM 980 CG2 THR A 67 -3.892 0.576 2.234 1.00 14.41 C ATOM 0 H THR A 67 -7.041 0.774 -0.474 1.00 75.11 H new ATOM 0 HA THR A 67 -4.145 1.369 -0.304 1.00 64.25 H new ATOM 0 HB THR A 67 -5.975 0.296 1.857 1.00 31.12 H new ATOM 0 HG1 THR A 67 -5.594 2.415 2.808 1.00 63.32 H new ATOM 0 HG21 THR A 67 -4.023 0.691 3.310 1.00 14.41 H new ATOM 0 HG22 THR A 67 -3.647 -0.462 2.008 1.00 14.41 H new ATOM 0 HG23 THR A 67 -3.082 1.222 1.896 1.00 14.41 H new ATOM 988 N ILE A 68 -3.820 -1.030 -0.908 1.00 12.14 N ATOM 989 CA ILE A 68 -3.683 -2.373 -1.362 1.00 43.13 C ATOM 990 C ILE A 68 -2.531 -2.956 -0.621 1.00 20.14 C ATOM 991 O ILE A 68 -1.444 -2.447 -0.708 1.00 31.12 O ATOM 992 CB ILE A 68 -3.381 -2.484 -2.905 1.00 14.42 C ATOM 993 CG1 ILE A 68 -4.270 -1.577 -3.789 1.00 31.31 C ATOM 994 CG2 ILE A 68 -3.456 -3.931 -3.379 1.00 14.30 C ATOM 995 CD1 ILE A 68 -3.798 -0.139 -3.844 1.00 72.30 C ATOM 0 H ILE A 68 -2.999 -0.441 -1.046 1.00 12.14 H new ATOM 0 HA ILE A 68 -4.624 -2.894 -1.186 1.00 43.13 H new ATOM 0 HB ILE A 68 -2.361 -2.118 -3.026 1.00 14.42 H new ATOM 0 HG12 ILE A 68 -4.296 -1.982 -4.801 1.00 31.31 H new ATOM 0 HG13 ILE A 68 -5.292 -1.602 -3.410 1.00 31.31 H new ATOM 0 HG21 ILE A 68 -3.243 -3.975 -4.447 1.00 14.30 H new ATOM 0 HG22 ILE A 68 -2.723 -4.530 -2.838 1.00 14.30 H new ATOM 0 HG23 ILE A 68 -4.455 -4.324 -3.192 1.00 14.30 H new ATOM 0 HD11 ILE A 68 -4.467 0.439 -4.481 1.00 72.30 H new ATOM 0 HD12 ILE A 68 -3.799 0.283 -2.839 1.00 72.30 H new ATOM 0 HD13 ILE A 68 -2.788 -0.103 -4.252 1.00 72.30 H new ATOM 1007 N LEU A 69 -2.764 -3.946 0.147 1.00 34.14 N ATOM 1008 CA LEU A 69 -1.695 -4.576 0.845 1.00 12.33 C ATOM 1009 C LEU A 69 -1.573 -6.031 0.516 1.00 73.30 C ATOM 1010 O LEU A 69 -2.553 -6.773 0.529 1.00 4.11 O ATOM 1011 CB LEU A 69 -1.565 -4.240 2.359 1.00 74.33 C ATOM 1012 CG LEU A 69 -2.757 -4.436 3.293 1.00 63.44 C ATOM 1013 CD1 LEU A 69 -2.293 -4.242 4.724 1.00 54.43 C ATOM 1014 CD2 LEU A 69 -3.868 -3.445 2.989 1.00 62.40 C ATOM 0 H LEU A 69 -3.687 -4.346 0.315 1.00 34.14 H new ATOM 0 HA LEU A 69 -0.801 -4.097 0.444 1.00 12.33 H new ATOM 0 HB2 LEU A 69 -0.743 -4.838 2.754 1.00 74.33 H new ATOM 0 HB3 LEU A 69 -1.264 -3.195 2.434 1.00 74.33 H new ATOM 0 HG LEU A 69 -3.151 -5.442 3.147 1.00 63.44 H new ATOM 0 HD11 LEU A 69 -3.136 -4.379 5.402 1.00 54.43 H new ATOM 0 HD12 LEU A 69 -1.517 -4.971 4.957 1.00 54.43 H new ATOM 0 HD13 LEU A 69 -1.892 -3.235 4.843 1.00 54.43 H new ATOM 0 HD21 LEU A 69 -4.701 -3.612 3.672 1.00 62.40 H new ATOM 0 HD22 LEU A 69 -3.494 -2.429 3.115 1.00 62.40 H new ATOM 0 HD23 LEU A 69 -4.207 -3.582 1.962 1.00 62.40 H new ATOM 1026 N CYS A 70 -0.400 -6.429 0.188 1.00 72.12 N ATOM 1027 CA CYS A 70 -0.133 -7.764 -0.192 1.00 70.40 C ATOM 1028 C CYS A 70 0.819 -8.389 0.811 1.00 44.31 C ATOM 1029 O CYS A 70 1.897 -7.903 1.023 1.00 34.03 O ATOM 1030 CB CYS A 70 0.431 -7.783 -1.593 1.00 61.22 C ATOM 1031 SG CYS A 70 -0.658 -7.063 -2.842 1.00 74.35 S ATOM 0 H CYS A 70 0.419 -5.821 0.176 1.00 72.12 H new ATOM 0 HA CYS A 70 -1.051 -8.352 -0.194 1.00 70.40 H new ATOM 0 HB2 CYS A 70 1.378 -7.243 -1.598 1.00 61.22 H new ATOM 0 HB3 CYS A 70 0.651 -8.814 -1.870 1.00 61.22 H new ATOM 0 HG CYS A 70 -0.084 -7.125 -4.007 1.00 74.35 H new ATOM 1037 N ASP A 71 0.392 -9.448 1.419 1.00 50.31 N ATOM 1038 CA ASP A 71 1.103 -10.097 2.494 1.00 54.33 C ATOM 1039 C ASP A 71 1.494 -11.510 2.099 1.00 70.14 C ATOM 1040 O ASP A 71 0.653 -12.304 1.730 1.00 40.24 O ATOM 1041 CB ASP A 71 0.171 -10.087 3.717 1.00 21.21 C ATOM 1042 CG ASP A 71 0.566 -10.958 4.864 1.00 33.33 C ATOM 1043 OD1 ASP A 71 0.625 -12.178 4.702 1.00 30.33 O ATOM 1044 OD2 ASP A 71 0.777 -10.439 5.931 1.00 53.43 O ATOM 0 H ASP A 71 -0.487 -9.906 1.180 1.00 50.31 H new ATOM 0 HA ASP A 71 2.031 -9.574 2.725 1.00 54.33 H new ATOM 0 HB2 ASP A 71 0.094 -9.062 4.078 1.00 21.21 H new ATOM 0 HB3 ASP A 71 -0.825 -10.385 3.389 1.00 21.21 H new ATOM 1049 N LYS A 72 2.744 -11.825 2.199 1.00 72.13 N ATOM 1050 CA LYS A 72 3.231 -13.134 1.827 1.00 73.02 C ATOM 1051 C LYS A 72 3.789 -13.844 3.080 1.00 54.10 C ATOM 1052 O LYS A 72 4.493 -14.856 2.977 1.00 42.45 O ATOM 1053 CB LYS A 72 4.340 -13.015 0.732 1.00 72.42 C ATOM 1054 CG LYS A 72 4.780 -14.366 0.131 1.00 43.33 C ATOM 1055 CD LYS A 72 6.010 -14.271 -0.773 1.00 22.34 C ATOM 1056 CE LYS A 72 5.714 -13.510 -2.034 1.00 73.50 C ATOM 1057 NZ LYS A 72 6.869 -13.411 -2.930 1.00 14.13 N ATOM 0 H LYS A 72 3.465 -11.189 2.540 1.00 72.13 H new ATOM 0 HA LYS A 72 2.409 -13.719 1.415 1.00 73.02 H new ATOM 0 HB2 LYS A 72 3.975 -12.374 -0.071 1.00 72.42 H new ATOM 0 HB3 LYS A 72 5.210 -12.521 1.164 1.00 72.42 H new ATOM 0 HG2 LYS A 72 4.991 -15.062 0.943 1.00 43.33 H new ATOM 0 HG3 LYS A 72 3.952 -14.785 -0.441 1.00 43.33 H new ATOM 0 HD2 LYS A 72 6.821 -13.781 -0.234 1.00 22.34 H new ATOM 0 HD3 LYS A 72 6.355 -15.274 -1.025 1.00 22.34 H new ATOM 0 HE2 LYS A 72 4.894 -13.997 -2.561 1.00 73.50 H new ATOM 0 HE3 LYS A 72 5.376 -12.507 -1.775 1.00 73.50 H new ATOM 0 HZ1 LYS A 72 6.556 -13.077 -3.864 1.00 14.13 H new ATOM 0 HZ2 LYS A 72 7.558 -12.740 -2.535 1.00 14.13 H new ATOM 0 HZ3 LYS A 72 7.313 -14.346 -3.028 1.00 14.13 H new ATOM 1071 N PHE A 73 3.437 -13.347 4.276 1.00 50.32 N ATOM 1072 CA PHE A 73 4.004 -13.919 5.502 1.00 10.11 C ATOM 1073 C PHE A 73 3.604 -15.384 5.715 1.00 0.33 C ATOM 1074 O PHE A 73 4.291 -16.134 6.394 1.00 2.04 O ATOM 1075 CB PHE A 73 3.789 -13.028 6.781 1.00 3.21 C ATOM 1076 CG PHE A 73 2.402 -12.886 7.417 1.00 74.50 C ATOM 1077 CD1 PHE A 73 1.422 -13.857 7.305 1.00 72.51 C ATOM 1078 CD2 PHE A 73 2.113 -11.750 8.156 1.00 72.23 C ATOM 1079 CE1 PHE A 73 0.188 -13.700 7.908 1.00 34.41 C ATOM 1080 CE2 PHE A 73 0.879 -11.589 8.766 1.00 34.00 C ATOM 1081 CZ PHE A 73 -0.084 -12.565 8.639 1.00 65.41 C ATOM 0 H PHE A 73 2.784 -12.576 4.417 1.00 50.32 H new ATOM 0 HA PHE A 73 5.082 -13.920 5.343 1.00 10.11 H new ATOM 0 HB2 PHE A 73 4.457 -13.410 7.553 1.00 3.21 H new ATOM 0 HB3 PHE A 73 4.131 -12.023 6.532 1.00 3.21 H new ATOM 0 HD1 PHE A 73 1.625 -14.753 6.737 1.00 72.51 H new ATOM 0 HD2 PHE A 73 2.861 -10.978 8.258 1.00 72.23 H new ATOM 0 HE1 PHE A 73 -0.564 -14.469 7.806 1.00 34.41 H new ATOM 0 HE2 PHE A 73 0.673 -10.698 9.341 1.00 34.00 H new ATOM 0 HZ PHE A 73 -1.048 -12.441 9.110 1.00 65.41 H new ATOM 1091 N SER A 74 2.504 -15.778 5.112 1.00 23.24 N ATOM 1092 CA SER A 74 2.004 -17.133 5.207 1.00 41.13 C ATOM 1093 C SER A 74 2.731 -18.066 4.213 1.00 54.22 C ATOM 1094 O SER A 74 2.449 -19.270 4.143 1.00 62.32 O ATOM 1095 CB SER A 74 0.518 -17.116 4.880 1.00 33.22 C ATOM 1096 OG SER A 74 -0.165 -16.133 5.651 1.00 11.13 O ATOM 0 H SER A 74 1.927 -15.163 4.538 1.00 23.24 H new ATOM 0 HA SER A 74 2.179 -17.508 6.215 1.00 41.13 H new ATOM 0 HB2 SER A 74 0.378 -16.912 3.818 1.00 33.22 H new ATOM 0 HB3 SER A 74 0.088 -18.099 5.075 1.00 33.22 H new ATOM 0 HG SER A 74 -1.118 -16.358 5.699 1.00 11.13 H new ATOM 1102 N GLY A 75 3.648 -17.519 3.441 1.00 12.54 N ATOM 1103 CA GLY A 75 4.332 -18.296 2.429 1.00 33.44 C ATOM 1104 C GLY A 75 3.740 -18.019 1.079 1.00 75.33 C ATOM 1105 O GLY A 75 4.445 -17.881 0.088 1.00 60.11 O ATOM 0 H GLY A 75 3.936 -16.542 3.495 1.00 12.54 H new ATOM 0 HA2 GLY A 75 5.394 -18.050 2.426 1.00 33.44 H new ATOM 0 HA3 GLY A 75 4.252 -19.358 2.659 1.00 33.44 H new ATOM 1109 N HIS A 76 2.435 -17.916 1.052 1.00 32.40 N ATOM 1110 CA HIS A 76 1.724 -17.588 -0.159 1.00 34.12 C ATOM 1111 C HIS A 76 1.488 -16.106 -0.169 1.00 42.10 C ATOM 1112 O HIS A 76 1.041 -15.544 0.842 1.00 61.41 O ATOM 1113 CB HIS A 76 0.370 -18.312 -0.274 1.00 23.42 C ATOM 1114 CG HIS A 76 0.445 -19.801 -0.391 1.00 32.41 C ATOM 1115 ND1 HIS A 76 0.314 -20.469 -1.586 1.00 42.34 N ATOM 1116 CD2 HIS A 76 0.605 -20.753 0.551 1.00 34.00 C ATOM 1117 CE1 HIS A 76 0.386 -21.765 -1.369 1.00 5.11 C ATOM 1118 NE2 HIS A 76 0.563 -21.966 -0.080 1.00 23.32 N ATOM 0 H HIS A 76 1.837 -18.057 1.866 1.00 32.40 H new ATOM 0 HA HIS A 76 2.330 -17.911 -1.005 1.00 34.12 H new ATOM 0 HB2 HIS A 76 -0.231 -18.063 0.601 1.00 23.42 H new ATOM 0 HB3 HIS A 76 -0.158 -17.923 -1.144 1.00 23.42 H new ATOM 0 HD2 HIS A 76 0.741 -20.588 1.610 1.00 34.00 H new ATOM 0 HE1 HIS A 76 0.312 -22.535 -2.123 1.00 5.11 H new ATOM 0 HE2 HIS A 76 0.654 -22.875 0.373 1.00 23.32 H new ATOM 1127 N PRO A 77 1.814 -15.435 -1.263 1.00 72.32 N ATOM 1128 CA PRO A 77 1.572 -14.008 -1.375 1.00 62.14 C ATOM 1129 C PRO A 77 0.091 -13.730 -1.497 1.00 35.41 C ATOM 1130 O PRO A 77 -0.568 -14.193 -2.426 1.00 72.11 O ATOM 1131 CB PRO A 77 2.305 -13.630 -2.663 1.00 13.34 C ATOM 1132 CG PRO A 77 2.412 -14.890 -3.451 1.00 43.41 C ATOM 1133 CD PRO A 77 2.456 -16.003 -2.462 1.00 22.25 C ATOM 0 HA PRO A 77 1.914 -13.442 -0.508 1.00 62.14 H new ATOM 0 HB2 PRO A 77 1.756 -12.868 -3.216 1.00 13.34 H new ATOM 0 HB3 PRO A 77 3.291 -13.219 -2.446 1.00 13.34 H new ATOM 0 HG2 PRO A 77 1.561 -15.001 -4.123 1.00 43.41 H new ATOM 0 HG3 PRO A 77 3.309 -14.885 -4.071 1.00 43.41 H new ATOM 0 HD2 PRO A 77 1.921 -16.881 -2.824 1.00 22.25 H new ATOM 0 HD3 PRO A 77 3.480 -16.316 -2.257 1.00 22.25 H new ATOM 1141 N LYS A 78 -0.438 -13.021 -0.552 1.00 60.45 N ATOM 1142 CA LYS A 78 -1.829 -12.701 -0.543 1.00 72.20 C ATOM 1143 C LYS A 78 -2.018 -11.269 -0.845 1.00 62.53 C ATOM 1144 O LYS A 78 -1.170 -10.471 -0.547 1.00 61.35 O ATOM 1145 CB LYS A 78 -2.410 -12.961 0.838 1.00 11.43 C ATOM 1146 CG LYS A 78 -2.210 -14.366 1.332 1.00 71.15 C ATOM 1147 CD LYS A 78 -2.918 -14.595 2.661 1.00 41.33 C ATOM 1148 CE LYS A 78 -2.349 -13.731 3.775 1.00 52.24 C ATOM 1149 NZ LYS A 78 -0.936 -14.041 4.033 1.00 4.22 N ATOM 0 H LYS A 78 0.085 -12.646 0.239 1.00 60.45 H new ATOM 0 HA LYS A 78 -2.327 -13.318 -1.291 1.00 72.20 H new ATOM 0 HB2 LYS A 78 -1.956 -12.269 1.548 1.00 11.43 H new ATOM 0 HB3 LYS A 78 -3.478 -12.742 0.819 1.00 11.43 H new ATOM 0 HG2 LYS A 78 -2.587 -15.071 0.591 1.00 71.15 H new ATOM 0 HG3 LYS A 78 -1.144 -14.564 1.447 1.00 71.15 H new ATOM 0 HD2 LYS A 78 -3.981 -14.381 2.545 1.00 41.33 H new ATOM 0 HD3 LYS A 78 -2.832 -15.645 2.939 1.00 41.33 H new ATOM 0 HE2 LYS A 78 -2.448 -12.679 3.507 1.00 52.24 H new ATOM 0 HE3 LYS A 78 -2.928 -13.884 4.686 1.00 52.24 H new ATOM 0 HZ1 LYS A 78 -0.442 -13.179 4.342 1.00 4.22 H new ATOM 0 HZ2 LYS A 78 -0.870 -14.764 4.778 1.00 4.22 H new ATOM 0 HZ3 LYS A 78 -0.495 -14.399 3.162 1.00 4.22 H new ATOM 1163 N GLY A 79 -3.120 -10.949 -1.415 1.00 72.21 N ATOM 1164 CA GLY A 79 -3.429 -9.598 -1.667 1.00 5.41 C ATOM 1165 C GLY A 79 -4.785 -9.251 -1.142 1.00 33.01 C ATOM 1166 O GLY A 79 -5.725 -10.061 -1.225 1.00 62.21 O ATOM 0 H GLY A 79 -3.829 -11.616 -1.718 1.00 72.21 H new ATOM 0 HA2 GLY A 79 -2.680 -8.957 -1.202 1.00 5.41 H new ATOM 0 HA3 GLY A 79 -3.390 -9.406 -2.739 1.00 5.41 H new ATOM 1170 N TYR A 80 -4.887 -8.088 -0.580 1.00 12.25 N ATOM 1171 CA TYR A 80 -6.135 -7.554 -0.126 1.00 43.50 C ATOM 1172 C TYR A 80 -6.097 -6.046 -0.184 1.00 31.14 C ATOM 1173 O TYR A 80 -5.061 -5.433 0.047 1.00 12.33 O ATOM 1174 CB TYR A 80 -6.592 -8.127 1.244 1.00 63.22 C ATOM 1175 CG TYR A 80 -5.651 -7.960 2.419 1.00 53.52 C ATOM 1176 CD1 TYR A 80 -4.612 -8.858 2.643 1.00 60.51 C ATOM 1177 CD2 TYR A 80 -5.828 -6.932 3.321 1.00 4.23 C ATOM 1178 CE1 TYR A 80 -3.779 -8.725 3.736 1.00 4.40 C ATOM 1179 CE2 TYR A 80 -4.999 -6.786 4.412 1.00 73.51 C ATOM 1180 CZ TYR A 80 -3.979 -7.684 4.617 1.00 1.22 C ATOM 1181 OH TYR A 80 -3.157 -7.542 5.706 1.00 4.42 O ATOM 0 H TYR A 80 -4.091 -7.470 -0.420 1.00 12.25 H new ATOM 0 HA TYR A 80 -6.917 -7.887 -0.808 1.00 43.50 H new ATOM 0 HB2 TYR A 80 -7.542 -7.660 1.504 1.00 63.22 H new ATOM 0 HB3 TYR A 80 -6.785 -9.192 1.116 1.00 63.22 H new ATOM 0 HD1 TYR A 80 -4.455 -9.672 1.951 1.00 60.51 H new ATOM 0 HD2 TYR A 80 -6.632 -6.227 3.169 1.00 4.23 H new ATOM 0 HE1 TYR A 80 -2.978 -9.430 3.899 1.00 4.40 H new ATOM 0 HE2 TYR A 80 -5.150 -5.970 5.103 1.00 73.51 H new ATOM 0 HH TYR A 80 -3.433 -6.758 6.224 1.00 4.42 H new ATOM 1191 N ALA A 81 -7.197 -5.453 -0.511 1.00 25.10 N ATOM 1192 CA ALA A 81 -7.247 -4.040 -0.743 1.00 74.42 C ATOM 1193 C ALA A 81 -8.472 -3.462 -0.111 1.00 13.43 C ATOM 1194 O ALA A 81 -9.423 -4.153 0.119 1.00 50.14 O ATOM 1195 CB ALA A 81 -7.245 -3.754 -2.240 1.00 52.23 C ATOM 0 H ALA A 81 -8.090 -5.932 -0.626 1.00 25.10 H new ATOM 0 HA ALA A 81 -6.367 -3.577 -0.296 1.00 74.42 H new ATOM 0 HB1 ALA A 81 -7.283 -2.677 -2.405 1.00 52.23 H new ATOM 0 HB2 ALA A 81 -6.336 -4.157 -2.686 1.00 52.23 H new ATOM 0 HB3 ALA A 81 -8.114 -4.223 -2.701 1.00 52.23 H new ATOM 1201 N TYR A 82 -8.421 -2.222 0.205 1.00 71.31 N ATOM 1202 CA TYR A 82 -9.545 -1.526 0.764 1.00 61.43 C ATOM 1203 C TYR A 82 -9.869 -0.367 -0.114 1.00 60.30 C ATOM 1204 O TYR A 82 -9.014 0.500 -0.346 1.00 12.31 O ATOM 1205 CB TYR A 82 -9.233 -1.050 2.187 1.00 2.25 C ATOM 1206 CG TYR A 82 -8.971 -2.178 3.158 1.00 53.14 C ATOM 1207 CD1 TYR A 82 -7.781 -2.885 3.122 1.00 13.34 C ATOM 1208 CD2 TYR A 82 -9.911 -2.525 4.111 1.00 4.12 C ATOM 1209 CE1 TYR A 82 -7.534 -3.910 3.995 1.00 12.15 C ATOM 1210 CE2 TYR A 82 -9.673 -3.551 4.997 1.00 31.14 C ATOM 1211 CZ TYR A 82 -8.476 -4.243 4.931 1.00 10.32 C ATOM 1212 OH TYR A 82 -8.236 -5.286 5.787 1.00 73.20 O ATOM 0 H TYR A 82 -7.590 -1.643 0.085 1.00 71.31 H new ATOM 0 HA TYR A 82 -10.401 -2.198 0.820 1.00 61.43 H new ATOM 0 HB2 TYR A 82 -8.362 -0.396 2.159 1.00 2.25 H new ATOM 0 HB3 TYR A 82 -10.068 -0.453 2.553 1.00 2.25 H new ATOM 0 HD1 TYR A 82 -7.032 -2.622 2.390 1.00 13.34 H new ATOM 0 HD2 TYR A 82 -10.844 -1.984 4.161 1.00 4.12 H new ATOM 0 HE1 TYR A 82 -6.602 -4.453 3.946 1.00 12.15 H new ATOM 0 HE2 TYR A 82 -10.414 -3.814 5.737 1.00 31.14 H new ATOM 0 HH TYR A 82 -8.524 -6.125 5.370 1.00 73.20 H new ATOM 1222 N ILE A 83 -11.067 -0.346 -0.629 1.00 13.11 N ATOM 1223 CA ILE A 83 -11.477 0.705 -1.510 1.00 42.00 C ATOM 1224 C ILE A 83 -12.340 1.664 -0.696 1.00 3.10 C ATOM 1225 O ILE A 83 -13.372 1.262 -0.150 1.00 12.51 O ATOM 1226 CB ILE A 83 -12.342 0.161 -2.681 1.00 10.33 C ATOM 1227 CG1 ILE A 83 -11.730 -1.096 -3.347 1.00 54.20 C ATOM 1228 CG2 ILE A 83 -12.541 1.240 -3.727 1.00 74.14 C ATOM 1229 CD1 ILE A 83 -10.341 -0.925 -3.932 1.00 65.13 C ATOM 0 H ILE A 83 -11.780 -1.053 -0.450 1.00 13.11 H new ATOM 0 HA ILE A 83 -10.593 1.187 -1.928 1.00 42.00 H new ATOM 0 HB ILE A 83 -13.301 -0.131 -2.253 1.00 10.33 H new ATOM 0 HG12 ILE A 83 -11.696 -1.895 -2.607 1.00 54.20 H new ATOM 0 HG13 ILE A 83 -12.400 -1.425 -4.141 1.00 54.20 H new ATOM 0 HG21 ILE A 83 -13.148 0.848 -4.543 1.00 74.14 H new ATOM 0 HG22 ILE A 83 -13.046 2.095 -3.277 1.00 74.14 H new ATOM 0 HG23 ILE A 83 -11.572 1.554 -4.115 1.00 74.14 H new ATOM 0 HD11 ILE A 83 -10.013 -1.867 -4.371 1.00 65.13 H new ATOM 0 HD12 ILE A 83 -10.363 -0.154 -4.702 1.00 65.13 H new ATOM 0 HD13 ILE A 83 -9.648 -0.631 -3.144 1.00 65.13 H new ATOM 1241 N GLU A 84 -11.929 2.891 -0.584 1.00 12.24 N ATOM 1242 CA GLU A 84 -12.672 3.858 0.189 1.00 3.40 C ATOM 1243 C GLU A 84 -13.404 4.800 -0.759 1.00 3.11 C ATOM 1244 O GLU A 84 -12.776 5.467 -1.591 1.00 3.42 O ATOM 1245 CB GLU A 84 -11.737 4.619 1.157 1.00 55.11 C ATOM 1246 CG GLU A 84 -10.897 3.679 2.043 1.00 50.12 C ATOM 1247 CD GLU A 84 -10.109 4.374 3.147 1.00 11.41 C ATOM 1248 OE1 GLU A 84 -9.045 4.944 2.877 1.00 41.13 O ATOM 1249 OE2 GLU A 84 -10.550 4.310 4.320 1.00 32.04 O ATOM 0 H GLU A 84 -11.080 3.254 -1.018 1.00 12.24 H new ATOM 0 HA GLU A 84 -13.412 3.347 0.805 1.00 3.40 H new ATOM 0 HB2 GLU A 84 -11.069 5.260 0.581 1.00 55.11 H new ATOM 0 HB3 GLU A 84 -12.335 5.272 1.793 1.00 55.11 H new ATOM 0 HG2 GLU A 84 -11.560 2.943 2.498 1.00 50.12 H new ATOM 0 HG3 GLU A 84 -10.200 3.131 1.408 1.00 50.12 H new ATOM 1256 N PHE A 85 -14.719 4.840 -0.655 1.00 2.25 N ATOM 1257 CA PHE A 85 -15.525 5.637 -1.556 1.00 22.25 C ATOM 1258 C PHE A 85 -15.947 6.939 -0.934 1.00 65.14 C ATOM 1259 O PHE A 85 -15.848 7.132 0.275 1.00 2.02 O ATOM 1260 CB PHE A 85 -16.786 4.903 -1.992 1.00 31.32 C ATOM 1261 CG PHE A 85 -16.580 3.654 -2.778 1.00 63.14 C ATOM 1262 CD1 PHE A 85 -16.177 3.716 -4.099 1.00 55.51 C ATOM 1263 CD2 PHE A 85 -16.838 2.420 -2.214 1.00 32.31 C ATOM 1264 CE1 PHE A 85 -16.034 2.569 -4.841 1.00 35.22 C ATOM 1265 CE2 PHE A 85 -16.690 1.271 -2.951 1.00 24.21 C ATOM 1266 CZ PHE A 85 -16.290 1.345 -4.265 1.00 34.22 C ATOM 0 H PHE A 85 -15.252 4.327 0.048 1.00 2.25 H new ATOM 0 HA PHE A 85 -14.889 5.829 -2.420 1.00 22.25 H new ATOM 0 HB2 PHE A 85 -17.364 4.656 -1.102 1.00 31.32 H new ATOM 0 HB3 PHE A 85 -17.392 5.586 -2.587 1.00 31.32 H new ATOM 0 HD1 PHE A 85 -15.973 4.675 -4.552 1.00 55.51 H new ATOM 0 HD2 PHE A 85 -17.159 2.358 -1.185 1.00 32.31 H new ATOM 0 HE1 PHE A 85 -15.722 2.627 -5.873 1.00 35.22 H new ATOM 0 HE2 PHE A 85 -16.887 0.310 -2.499 1.00 24.21 H new ATOM 0 HZ PHE A 85 -16.177 0.442 -4.846 1.00 34.22 H new ATOM 1276 N ALA A 86 -16.415 7.826 -1.781 1.00 25.31 N ATOM 1277 CA ALA A 86 -16.956 9.088 -1.357 1.00 42.32 C ATOM 1278 C ALA A 86 -18.395 8.934 -0.891 1.00 25.35 C ATOM 1279 O ALA A 86 -18.835 9.652 -0.009 1.00 23.13 O ATOM 1280 CB ALA A 86 -16.891 10.100 -2.489 1.00 32.11 C ATOM 0 H ALA A 86 -16.429 7.687 -2.791 1.00 25.31 H new ATOM 0 HA ALA A 86 -16.355 9.446 -0.521 1.00 42.32 H new ATOM 0 HB1 ALA A 86 -17.305 11.050 -2.152 1.00 32.11 H new ATOM 0 HB2 ALA A 86 -15.853 10.242 -2.791 1.00 32.11 H new ATOM 0 HB3 ALA A 86 -17.469 9.734 -3.338 1.00 32.11 H new ATOM 1286 N GLU A 87 -19.137 8.007 -1.489 1.00 31.43 N ATOM 1287 CA GLU A 87 -20.544 7.840 -1.138 1.00 30.44 C ATOM 1288 C GLU A 87 -20.885 6.433 -0.684 1.00 64.15 C ATOM 1289 O GLU A 87 -20.169 5.469 -0.970 1.00 21.40 O ATOM 1290 CB GLU A 87 -21.423 8.163 -2.329 1.00 31.12 C ATOM 1291 CG GLU A 87 -21.291 9.559 -2.863 1.00 14.45 C ATOM 1292 CD GLU A 87 -22.153 9.760 -4.068 1.00 61.24 C ATOM 1293 OE1 GLU A 87 -23.329 10.123 -3.909 1.00 74.03 O ATOM 1294 OE2 GLU A 87 -21.668 9.540 -5.203 1.00 34.43 O ATOM 0 H GLU A 87 -18.795 7.369 -2.208 1.00 31.43 H new ATOM 0 HA GLU A 87 -20.725 8.524 -0.309 1.00 30.44 H new ATOM 0 HB2 GLU A 87 -21.192 7.462 -3.131 1.00 31.12 H new ATOM 0 HB3 GLU A 87 -22.463 7.996 -2.048 1.00 31.12 H new ATOM 0 HG2 GLU A 87 -21.570 10.275 -2.090 1.00 14.45 H new ATOM 0 HG3 GLU A 87 -20.250 9.756 -3.120 1.00 14.45 H new ATOM 1301 N ARG A 88 -22.011 6.340 0.009 1.00 11.11 N ATOM 1302 CA ARG A 88 -22.588 5.080 0.450 1.00 45.50 C ATOM 1303 C ARG A 88 -23.127 4.261 -0.703 1.00 2.21 C ATOM 1304 O ARG A 88 -23.093 3.039 -0.668 1.00 61.00 O ATOM 1305 CB ARG A 88 -23.717 5.303 1.452 1.00 75.24 C ATOM 1306 CG ARG A 88 -23.302 5.402 2.902 1.00 10.42 C ATOM 1307 CD ARG A 88 -22.654 4.095 3.352 1.00 41.23 C ATOM 1308 NE ARG A 88 -23.475 2.910 3.001 1.00 21.05 N ATOM 1309 CZ ARG A 88 -23.182 1.635 3.320 1.00 23.14 C ATOM 1310 NH1 ARG A 88 -22.136 1.354 4.090 1.00 73.22 N ATOM 1311 NH2 ARG A 88 -23.930 0.651 2.844 1.00 54.34 N ATOM 0 H ARG A 88 -22.559 7.155 0.285 1.00 11.11 H new ATOM 0 HA ARG A 88 -21.775 4.532 0.925 1.00 45.50 H new ATOM 0 HB2 ARG A 88 -24.242 6.219 1.181 1.00 75.24 H new ATOM 0 HB3 ARG A 88 -24.431 4.485 1.353 1.00 75.24 H new ATOM 0 HG2 ARG A 88 -22.603 6.228 3.033 1.00 10.42 H new ATOM 0 HG3 ARG A 88 -24.171 5.619 3.523 1.00 10.42 H new ATOM 0 HD2 ARG A 88 -21.670 4.002 2.892 1.00 41.23 H new ATOM 0 HD3 ARG A 88 -22.500 4.121 4.431 1.00 41.23 H new ATOM 0 HE ARG A 88 -24.333 3.075 2.474 1.00 21.05 H new ATOM 0 HH11 ARG A 88 -21.547 2.107 4.445 1.00 73.22 H new ATOM 0 HH12 ARG A 88 -21.922 0.385 4.326 1.00 73.22 H new ATOM 0 HH21 ARG A 88 -24.724 0.861 2.239 1.00 54.34 H new ATOM 0 HH22 ARG A 88 -23.712 -0.316 3.083 1.00 54.34 H new ATOM 1325 N ASN A 89 -23.617 4.926 -1.719 1.00 43.21 N ATOM 1326 CA ASN A 89 -24.197 4.229 -2.863 1.00 3.12 C ATOM 1327 C ASN A 89 -23.174 3.351 -3.524 1.00 73.51 C ATOM 1328 O ASN A 89 -23.495 2.250 -3.981 1.00 5.44 O ATOM 1329 CB ASN A 89 -24.761 5.192 -3.894 1.00 51.20 C ATOM 1330 CG ASN A 89 -25.957 6.007 -3.413 1.00 22.15 C ATOM 1331 OD1 ASN A 89 -26.089 6.321 -2.232 1.00 32.12 O ATOM 1332 ND2 ASN A 89 -26.827 6.362 -4.327 1.00 22.32 N ATOM 0 H ASN A 89 -23.631 5.944 -1.787 1.00 43.21 H new ATOM 0 HA ASN A 89 -25.014 3.621 -2.476 1.00 3.12 H new ATOM 0 HB2 ASN A 89 -23.971 5.877 -4.202 1.00 51.20 H new ATOM 0 HB3 ASN A 89 -25.055 4.626 -4.778 1.00 51.20 H new ATOM 0 HD21 ASN A 89 -27.643 6.915 -4.067 1.00 22.32 H new ATOM 0 HD22 ASN A 89 -26.688 6.085 -5.299 1.00 22.32 H new ATOM 1339 N SER A 90 -21.925 3.818 -3.567 1.00 2.51 N ATOM 1340 CA SER A 90 -20.862 3.085 -4.164 1.00 61.35 C ATOM 1341 C SER A 90 -20.604 1.764 -3.420 1.00 31.43 C ATOM 1342 O SER A 90 -20.460 0.716 -4.047 1.00 32.10 O ATOM 1343 CB SER A 90 -19.635 3.961 -4.146 1.00 12.04 C ATOM 1344 OG SER A 90 -19.930 5.246 -4.695 1.00 25.14 O ATOM 0 H SER A 90 -21.645 4.720 -3.181 1.00 2.51 H new ATOM 0 HA SER A 90 -21.124 2.819 -5.188 1.00 61.35 H new ATOM 0 HB2 SER A 90 -19.274 4.070 -3.123 1.00 12.04 H new ATOM 0 HB3 SER A 90 -18.836 3.489 -4.718 1.00 12.04 H new ATOM 0 HG SER A 90 -19.107 5.776 -4.749 1.00 25.14 H new ATOM 1350 N VAL A 91 -20.567 1.816 -2.088 1.00 73.34 N ATOM 1351 CA VAL A 91 -20.382 0.609 -1.302 1.00 15.42 C ATOM 1352 C VAL A 91 -21.561 -0.341 -1.444 1.00 54.52 C ATOM 1353 O VAL A 91 -21.351 -1.534 -1.647 1.00 62.23 O ATOM 1354 CB VAL A 91 -19.971 0.867 0.211 1.00 34.34 C ATOM 1355 CG1 VAL A 91 -20.651 2.051 0.777 1.00 24.25 C ATOM 1356 CG2 VAL A 91 -20.265 -0.350 1.109 1.00 64.00 C ATOM 0 H VAL A 91 -20.662 2.672 -1.542 1.00 73.34 H new ATOM 0 HA VAL A 91 -19.512 0.111 -1.731 1.00 15.42 H new ATOM 0 HB VAL A 91 -18.896 1.046 0.195 1.00 34.34 H new ATOM 0 HG11 VAL A 91 -20.340 2.189 1.813 1.00 24.25 H new ATOM 0 HG12 VAL A 91 -20.385 2.935 0.198 1.00 24.25 H new ATOM 0 HG13 VAL A 91 -21.730 1.904 0.739 1.00 24.25 H new ATOM 0 HG21 VAL A 91 -19.968 -0.127 2.134 1.00 64.00 H new ATOM 0 HG22 VAL A 91 -21.332 -0.573 1.081 1.00 64.00 H new ATOM 0 HG23 VAL A 91 -19.704 -1.212 0.748 1.00 64.00 H new ATOM 1366 N ASP A 92 -22.796 0.180 -1.406 1.00 70.35 N ATOM 1367 CA ASP A 92 -23.978 -0.692 -1.556 1.00 5.04 C ATOM 1368 C ASP A 92 -23.998 -1.427 -2.882 1.00 70.23 C ATOM 1369 O ASP A 92 -24.454 -2.571 -2.962 1.00 65.30 O ATOM 1370 CB ASP A 92 -25.301 0.047 -1.333 1.00 14.42 C ATOM 1371 CG ASP A 92 -25.581 0.351 0.119 1.00 72.03 C ATOM 1372 OD1 ASP A 92 -26.121 -0.527 0.829 1.00 34.40 O ATOM 1373 OD2 ASP A 92 -25.297 1.457 0.578 1.00 43.44 O ATOM 0 H ASP A 92 -23.004 1.170 -1.277 1.00 70.35 H new ATOM 0 HA ASP A 92 -23.882 -1.435 -0.764 1.00 5.04 H new ATOM 0 HB2 ASP A 92 -25.286 0.980 -1.896 1.00 14.42 H new ATOM 0 HB3 ASP A 92 -26.117 -0.554 -1.734 1.00 14.42 H new ATOM 1378 N ALA A 93 -23.524 -0.782 -3.920 1.00 64.21 N ATOM 1379 CA ALA A 93 -23.442 -1.424 -5.215 1.00 51.23 C ATOM 1380 C ALA A 93 -22.275 -2.420 -5.261 1.00 45.33 C ATOM 1381 O ALA A 93 -22.384 -3.503 -5.840 1.00 11.35 O ATOM 1382 CB ALA A 93 -23.328 -0.404 -6.317 1.00 25.41 C ATOM 0 H ALA A 93 -23.190 0.182 -3.897 1.00 64.21 H new ATOM 0 HA ALA A 93 -24.365 -1.983 -5.372 1.00 51.23 H new ATOM 0 HB1 ALA A 93 -23.268 -0.913 -7.279 1.00 25.41 H new ATOM 0 HB2 ALA A 93 -24.203 0.245 -6.304 1.00 25.41 H new ATOM 0 HB3 ALA A 93 -22.430 0.195 -6.167 1.00 25.41 H new ATOM 1388 N ALA A 94 -21.167 -2.053 -4.622 1.00 54.21 N ATOM 1389 CA ALA A 94 -19.949 -2.860 -4.638 1.00 73.22 C ATOM 1390 C ALA A 94 -20.114 -4.154 -3.845 1.00 1.40 C ATOM 1391 O ALA A 94 -19.653 -5.203 -4.270 1.00 4.14 O ATOM 1392 CB ALA A 94 -18.753 -2.056 -4.138 1.00 51.23 C ATOM 0 H ALA A 94 -21.088 -1.192 -4.081 1.00 54.21 H new ATOM 0 HA ALA A 94 -19.759 -3.140 -5.674 1.00 73.22 H new ATOM 0 HB1 ALA A 94 -17.860 -2.680 -4.160 1.00 51.23 H new ATOM 0 HB2 ALA A 94 -18.605 -1.187 -4.780 1.00 51.23 H new ATOM 0 HB3 ALA A 94 -18.939 -1.725 -3.116 1.00 51.23 H new ATOM 1398 N VAL A 95 -20.783 -4.067 -2.694 1.00 40.40 N ATOM 1399 CA VAL A 95 -21.062 -5.246 -1.834 1.00 62.31 C ATOM 1400 C VAL A 95 -21.820 -6.350 -2.587 1.00 11.52 C ATOM 1401 O VAL A 95 -21.782 -7.510 -2.201 1.00 42.54 O ATOM 1402 CB VAL A 95 -21.793 -4.905 -0.501 1.00 41.32 C ATOM 1403 CG1 VAL A 95 -21.000 -3.911 0.321 1.00 21.12 C ATOM 1404 CG2 VAL A 95 -23.203 -4.402 -0.743 1.00 11.34 C ATOM 0 H VAL A 95 -21.149 -3.190 -2.323 1.00 40.40 H new ATOM 0 HA VAL A 95 -20.075 -5.620 -1.562 1.00 62.31 H new ATOM 0 HB VAL A 95 -21.869 -5.832 0.068 1.00 41.32 H new ATOM 0 HG11 VAL A 95 -21.536 -3.693 1.245 1.00 21.12 H new ATOM 0 HG12 VAL A 95 -20.023 -4.333 0.559 1.00 21.12 H new ATOM 0 HG13 VAL A 95 -20.869 -2.991 -0.248 1.00 21.12 H new ATOM 0 HG21 VAL A 95 -23.677 -4.176 0.212 1.00 11.34 H new ATOM 0 HG22 VAL A 95 -23.168 -3.500 -1.353 1.00 11.34 H new ATOM 0 HG23 VAL A 95 -23.779 -5.169 -1.262 1.00 11.34 H new ATOM 1414 N ALA A 96 -22.499 -5.974 -3.659 1.00 64.51 N ATOM 1415 CA ALA A 96 -23.223 -6.931 -4.486 1.00 1.54 C ATOM 1416 C ALA A 96 -22.220 -7.817 -5.278 1.00 11.41 C ATOM 1417 O ALA A 96 -22.563 -8.907 -5.733 1.00 3.25 O ATOM 1418 CB ALA A 96 -24.181 -6.192 -5.405 1.00 64.23 C ATOM 0 H ALA A 96 -22.565 -5.008 -3.979 1.00 64.51 H new ATOM 0 HA ALA A 96 -23.814 -7.594 -3.854 1.00 1.54 H new ATOM 0 HB1 ALA A 96 -24.721 -6.911 -6.022 1.00 64.23 H new ATOM 0 HB2 ALA A 96 -24.892 -5.621 -4.807 1.00 64.23 H new ATOM 0 HB3 ALA A 96 -23.619 -5.513 -6.046 1.00 64.23 H new ATOM 1424 N MET A 97 -20.977 -7.342 -5.409 1.00 23.20 N ATOM 1425 CA MET A 97 -19.894 -8.098 -6.029 1.00 61.22 C ATOM 1426 C MET A 97 -19.147 -8.975 -5.008 1.00 65.12 C ATOM 1427 O MET A 97 -18.141 -9.586 -5.352 1.00 0.05 O ATOM 1428 CB MET A 97 -18.877 -7.180 -6.745 1.00 52.02 C ATOM 1429 CG MET A 97 -19.267 -6.711 -8.121 1.00 75.40 C ATOM 1430 SD MET A 97 -17.965 -5.755 -8.963 1.00 23.13 S ATOM 1431 CE MET A 97 -17.459 -4.568 -7.711 1.00 3.42 C ATOM 0 H MET A 97 -20.697 -6.416 -5.085 1.00 23.20 H new ATOM 0 HA MET A 97 -20.369 -8.741 -6.770 1.00 61.22 H new ATOM 0 HB2 MET A 97 -18.705 -6.304 -6.119 1.00 52.02 H new ATOM 0 HB3 MET A 97 -17.928 -7.711 -6.819 1.00 52.02 H new ATOM 0 HG2 MET A 97 -19.523 -7.577 -8.732 1.00 75.40 H new ATOM 0 HG3 MET A 97 -20.165 -6.098 -8.046 1.00 75.40 H new ATOM 0 HE1 MET A 97 -16.832 -3.802 -8.168 1.00 3.42 H new ATOM 0 HE2 MET A 97 -18.342 -4.101 -7.274 1.00 3.42 H new ATOM 0 HE3 MET A 97 -16.896 -5.080 -6.931 1.00 3.42 H new ATOM 1441 N ASP A 98 -19.676 -9.045 -3.781 1.00 41.34 N ATOM 1442 CA ASP A 98 -19.094 -9.821 -2.633 1.00 55.33 C ATOM 1443 C ASP A 98 -18.361 -11.126 -2.976 1.00 51.03 C ATOM 1444 O ASP A 98 -17.227 -11.274 -2.563 1.00 43.23 O ATOM 1445 CB ASP A 98 -20.199 -10.086 -1.590 1.00 2.03 C ATOM 1446 CG ASP A 98 -19.802 -11.033 -0.459 1.00 45.52 C ATOM 1447 OD1 ASP A 98 -19.970 -12.249 -0.616 1.00 23.41 O ATOM 1448 OD2 ASP A 98 -19.352 -10.575 0.614 1.00 12.51 O ATOM 0 H ASP A 98 -20.539 -8.561 -3.533 1.00 41.34 H new ATOM 0 HA ASP A 98 -18.303 -9.183 -2.240 1.00 55.33 H new ATOM 0 HB2 ASP A 98 -20.505 -9.134 -1.157 1.00 2.03 H new ATOM 0 HB3 ASP A 98 -21.069 -10.498 -2.101 1.00 2.03 H new ATOM 1453 N GLU A 99 -18.954 -12.055 -3.681 1.00 63.10 N ATOM 1454 CA GLU A 99 -18.223 -13.285 -3.985 1.00 33.23 C ATOM 1455 C GLU A 99 -18.190 -13.521 -5.516 1.00 31.24 C ATOM 1456 O GLU A 99 -18.384 -14.628 -6.024 1.00 74.33 O ATOM 1457 CB GLU A 99 -18.846 -14.448 -3.182 1.00 22.54 C ATOM 1458 CG GLU A 99 -18.072 -15.761 -3.219 1.00 30.44 C ATOM 1459 CD GLU A 99 -18.614 -16.780 -2.245 1.00 32.53 C ATOM 1460 OE1 GLU A 99 -19.670 -17.393 -2.523 1.00 73.23 O ATOM 1461 OE2 GLU A 99 -17.999 -16.964 -1.160 1.00 45.21 O ATOM 0 H GLU A 99 -19.904 -12.002 -4.049 1.00 63.10 H new ATOM 0 HA GLU A 99 -17.180 -13.209 -3.677 1.00 33.23 H new ATOM 0 HB2 GLU A 99 -18.947 -14.135 -2.143 1.00 22.54 H new ATOM 0 HB3 GLU A 99 -19.852 -14.629 -3.560 1.00 22.54 H new ATOM 0 HG2 GLU A 99 -18.109 -16.172 -4.228 1.00 30.44 H new ATOM 0 HG3 GLU A 99 -17.024 -15.568 -2.992 1.00 30.44 H new ATOM 1468 N THR A 100 -17.895 -12.455 -6.220 1.00 33.01 N ATOM 1469 CA THR A 100 -17.811 -12.437 -7.676 1.00 50.41 C ATOM 1470 C THR A 100 -16.381 -12.901 -8.131 1.00 32.11 C ATOM 1471 O THR A 100 -15.437 -12.886 -7.334 1.00 51.11 O ATOM 1472 CB THR A 100 -18.131 -10.988 -8.127 1.00 41.45 C ATOM 1473 OG1 THR A 100 -19.391 -10.637 -7.562 1.00 14.01 O ATOM 1474 CG2 THR A 100 -18.241 -10.823 -9.620 1.00 63.20 C ATOM 0 H THR A 100 -17.700 -11.549 -5.794 1.00 33.01 H new ATOM 0 HA THR A 100 -18.521 -13.125 -8.135 1.00 50.41 H new ATOM 0 HB THR A 100 -17.309 -10.355 -7.794 1.00 41.45 H new ATOM 0 HG1 THR A 100 -19.972 -10.271 -8.261 1.00 14.01 H new ATOM 0 HG21 THR A 100 -18.466 -9.783 -9.855 1.00 63.20 H new ATOM 0 HG22 THR A 100 -17.298 -11.105 -10.088 1.00 63.20 H new ATOM 0 HG23 THR A 100 -19.039 -11.462 -9.999 1.00 63.20 H new ATOM 1482 N VAL A 101 -16.218 -13.291 -9.396 1.00 55.43 N ATOM 1483 CA VAL A 101 -14.945 -13.842 -9.858 1.00 31.11 C ATOM 1484 C VAL A 101 -14.128 -12.772 -10.596 1.00 4.44 C ATOM 1485 O VAL A 101 -14.677 -11.979 -11.379 1.00 45.53 O ATOM 1486 CB VAL A 101 -15.156 -15.110 -10.756 1.00 25.11 C ATOM 1487 CG1 VAL A 101 -15.990 -14.797 -11.983 1.00 72.20 C ATOM 1488 CG2 VAL A 101 -13.826 -15.746 -11.155 1.00 3.41 C ATOM 0 H VAL A 101 -16.943 -13.236 -10.111 1.00 55.43 H new ATOM 0 HA VAL A 101 -14.382 -14.158 -8.980 1.00 31.11 H new ATOM 0 HB VAL A 101 -15.706 -15.833 -10.154 1.00 25.11 H new ATOM 0 HG11 VAL A 101 -16.114 -15.701 -12.579 1.00 72.20 H new ATOM 0 HG12 VAL A 101 -16.969 -14.430 -11.674 1.00 72.20 H new ATOM 0 HG13 VAL A 101 -15.488 -14.035 -12.579 1.00 72.20 H new ATOM 0 HG21 VAL A 101 -14.013 -16.622 -11.777 1.00 3.41 H new ATOM 0 HG22 VAL A 101 -13.231 -15.024 -11.715 1.00 3.41 H new ATOM 0 HG23 VAL A 101 -13.283 -16.047 -10.259 1.00 3.41 H new ATOM 1498 N PHE A 102 -12.842 -12.738 -10.329 1.00 40.13 N ATOM 1499 CA PHE A 102 -11.958 -11.750 -10.896 1.00 33.55 C ATOM 1500 C PHE A 102 -10.545 -12.363 -11.005 1.00 52.40 C ATOM 1501 O PHE A 102 -9.955 -12.738 -9.993 1.00 43.11 O ATOM 1502 CB PHE A 102 -11.975 -10.527 -9.953 1.00 65.22 C ATOM 1503 CG PHE A 102 -11.272 -9.296 -10.432 1.00 52.30 C ATOM 1504 CD1 PHE A 102 -11.917 -8.403 -11.275 1.00 11.45 C ATOM 1505 CD2 PHE A 102 -9.984 -9.011 -10.022 1.00 43.52 C ATOM 1506 CE1 PHE A 102 -11.289 -7.257 -11.700 1.00 50.13 C ATOM 1507 CE2 PHE A 102 -9.354 -7.862 -10.444 1.00 42.44 C ATOM 1508 CZ PHE A 102 -10.007 -6.986 -11.284 1.00 63.21 C ATOM 0 H PHE A 102 -12.379 -13.401 -9.707 1.00 40.13 H new ATOM 0 HA PHE A 102 -12.269 -11.440 -11.894 1.00 33.55 H new ATOM 0 HB2 PHE A 102 -13.014 -10.268 -9.751 1.00 65.22 H new ATOM 0 HB3 PHE A 102 -11.531 -10.824 -9.003 1.00 65.22 H new ATOM 0 HD1 PHE A 102 -12.925 -8.611 -11.601 1.00 11.45 H new ATOM 0 HD2 PHE A 102 -9.467 -9.695 -9.365 1.00 43.52 H new ATOM 0 HE1 PHE A 102 -11.801 -6.571 -12.359 1.00 50.13 H new ATOM 0 HE2 PHE A 102 -8.348 -7.647 -10.117 1.00 42.44 H new ATOM 0 HZ PHE A 102 -9.511 -6.086 -11.616 1.00 63.21 H new ATOM 1518 N ARG A 103 -10.028 -12.479 -12.231 1.00 21.21 N ATOM 1519 CA ARG A 103 -8.718 -13.100 -12.501 1.00 4.55 C ATOM 1520 C ARG A 103 -8.567 -14.549 -12.078 1.00 13.22 C ATOM 1521 O ARG A 103 -7.693 -14.897 -11.278 1.00 63.53 O ATOM 1522 CB ARG A 103 -7.501 -12.231 -12.184 1.00 4.25 C ATOM 1523 CG ARG A 103 -7.329 -11.102 -13.170 1.00 41.12 C ATOM 1524 CD ARG A 103 -6.127 -10.243 -12.854 1.00 4.34 C ATOM 1525 NE ARG A 103 -5.944 -9.220 -13.880 1.00 44.14 N ATOM 1526 CZ ARG A 103 -6.421 -7.978 -13.811 1.00 32.23 C ATOM 1527 NH1 ARG A 103 -7.078 -7.581 -12.737 1.00 51.42 N ATOM 1528 NH2 ARG A 103 -6.236 -7.130 -14.818 1.00 71.23 N ATOM 0 H ARG A 103 -10.503 -12.146 -13.070 1.00 21.21 H new ATOM 0 HA ARG A 103 -8.730 -13.156 -13.589 1.00 4.55 H new ATOM 0 HB2 ARG A 103 -7.603 -11.820 -11.179 1.00 4.25 H new ATOM 0 HB3 ARG A 103 -6.605 -12.851 -12.186 1.00 4.25 H new ATOM 0 HG2 ARG A 103 -7.226 -11.512 -14.174 1.00 41.12 H new ATOM 0 HG3 ARG A 103 -8.226 -10.482 -13.170 1.00 41.12 H new ATOM 0 HD2 ARG A 103 -6.256 -9.770 -11.880 1.00 4.34 H new ATOM 0 HD3 ARG A 103 -5.235 -10.866 -12.790 1.00 4.34 H new ATOM 0 HE ARG A 103 -5.411 -9.475 -14.711 1.00 44.14 H new ATOM 0 HH11 ARG A 103 -7.221 -8.225 -11.959 1.00 51.42 H new ATOM 0 HH12 ARG A 103 -7.443 -6.630 -12.685 1.00 51.42 H new ATOM 0 HH21 ARG A 103 -5.726 -7.429 -15.649 1.00 71.23 H new ATOM 0 HH22 ARG A 103 -6.604 -6.180 -14.759 1.00 71.23 H new ATOM 1542 N GLY A 104 -9.481 -15.372 -12.575 1.00 44.20 N ATOM 1543 CA GLY A 104 -9.486 -16.818 -12.317 1.00 35.10 C ATOM 1544 C GLY A 104 -9.839 -17.211 -10.898 1.00 34.35 C ATOM 1545 O GLY A 104 -10.121 -18.380 -10.621 1.00 5.35 O ATOM 0 H GLY A 104 -10.247 -15.060 -13.172 1.00 44.20 H new ATOM 0 HA2 GLY A 104 -10.195 -17.291 -12.997 1.00 35.10 H new ATOM 0 HA3 GLY A 104 -8.500 -17.218 -12.555 1.00 35.10 H new ATOM 1549 N ARG A 105 -9.841 -16.271 -10.016 1.00 12.51 N ATOM 1550 CA ARG A 105 -10.106 -16.525 -8.638 1.00 4.21 C ATOM 1551 C ARG A 105 -11.321 -15.764 -8.190 1.00 33.14 C ATOM 1552 O ARG A 105 -11.741 -14.802 -8.835 1.00 21.42 O ATOM 1553 CB ARG A 105 -8.897 -16.167 -7.776 1.00 22.05 C ATOM 1554 CG ARG A 105 -8.412 -14.745 -7.961 1.00 71.45 C ATOM 1555 CD ARG A 105 -7.299 -14.414 -7.003 1.00 41.11 C ATOM 1556 NE ARG A 105 -6.147 -15.307 -7.123 1.00 53.04 N ATOM 1557 CZ ARG A 105 -5.148 -15.362 -6.232 1.00 0.43 C ATOM 1558 NH1 ARG A 105 -5.184 -14.596 -5.136 1.00 22.10 N ATOM 1559 NH2 ARG A 105 -4.124 -16.184 -6.425 1.00 24.14 N ATOM 0 H ARG A 105 -9.657 -15.291 -10.232 1.00 12.51 H new ATOM 0 HA ARG A 105 -10.301 -17.591 -8.518 1.00 4.21 H new ATOM 0 HB2 ARG A 105 -9.153 -16.320 -6.727 1.00 22.05 H new ATOM 0 HB3 ARG A 105 -8.082 -16.852 -8.009 1.00 22.05 H new ATOM 0 HG2 ARG A 105 -8.065 -14.608 -8.985 1.00 71.45 H new ATOM 0 HG3 ARG A 105 -9.241 -14.054 -7.810 1.00 71.45 H new ATOM 0 HD2 ARG A 105 -6.974 -13.388 -7.175 1.00 41.11 H new ATOM 0 HD3 ARG A 105 -7.681 -14.460 -5.983 1.00 41.11 H new ATOM 0 HE ARG A 105 -6.101 -15.925 -7.933 1.00 53.04 H new ATOM 0 HH11 ARG A 105 -5.973 -13.969 -4.978 1.00 22.10 H new ATOM 0 HH12 ARG A 105 -4.423 -14.639 -4.459 1.00 22.10 H new ATOM 0 HH21 ARG A 105 -4.095 -16.777 -7.254 1.00 24.14 H new ATOM 0 HH22 ARG A 105 -3.366 -16.223 -5.744 1.00 24.14 H new ATOM 1573 N THR A 106 -11.881 -16.179 -7.116 1.00 55.24 N ATOM 1574 CA THR A 106 -13.034 -15.544 -6.590 1.00 3.31 C ATOM 1575 C THR A 106 -12.589 -14.528 -5.550 1.00 64.20 C ATOM 1576 O THR A 106 -11.814 -14.859 -4.644 1.00 23.42 O ATOM 1577 CB THR A 106 -13.932 -16.597 -5.947 1.00 45.04 C ATOM 1578 OG1 THR A 106 -14.124 -17.661 -6.897 1.00 12.23 O ATOM 1579 CG2 THR A 106 -15.281 -16.009 -5.578 1.00 24.14 C ATOM 0 H THR A 106 -11.551 -16.976 -6.571 1.00 55.24 H new ATOM 0 HA THR A 106 -13.591 -15.039 -7.379 1.00 3.31 H new ATOM 0 HB THR A 106 -13.460 -16.965 -5.036 1.00 45.04 H new ATOM 0 HG1 THR A 106 -14.698 -18.351 -6.504 1.00 12.23 H new ATOM 0 HG21 THR A 106 -15.902 -16.780 -5.122 1.00 24.14 H new ATOM 0 HG22 THR A 106 -15.140 -15.191 -4.871 1.00 24.14 H new ATOM 0 HG23 THR A 106 -15.772 -15.633 -6.476 1.00 24.14 H new ATOM 1587 N ILE A 107 -13.037 -13.308 -5.677 1.00 75.25 N ATOM 1588 CA ILE A 107 -12.649 -12.303 -4.727 1.00 34.35 C ATOM 1589 C ILE A 107 -13.749 -12.078 -3.747 1.00 62.13 C ATOM 1590 O ILE A 107 -14.857 -12.599 -3.900 1.00 3.03 O ATOM 1591 CB ILE A 107 -12.295 -10.935 -5.375 1.00 34.33 C ATOM 1592 CG1 ILE A 107 -13.521 -10.326 -6.088 1.00 43.33 C ATOM 1593 CG2 ILE A 107 -11.116 -11.090 -6.332 1.00 21.42 C ATOM 1594 CD1 ILE A 107 -13.321 -8.900 -6.560 1.00 45.44 C ATOM 0 H ILE A 107 -13.662 -12.990 -6.418 1.00 75.25 H new ATOM 0 HA ILE A 107 -11.750 -12.684 -4.243 1.00 34.35 H new ATOM 0 HB ILE A 107 -12.001 -10.244 -4.584 1.00 34.33 H new ATOM 0 HG12 ILE A 107 -13.774 -10.949 -6.946 1.00 43.33 H new ATOM 0 HG13 ILE A 107 -14.374 -10.356 -5.410 1.00 43.33 H new ATOM 0 HG21 ILE A 107 -10.880 -10.124 -6.778 1.00 21.42 H new ATOM 0 HG22 ILE A 107 -10.249 -11.458 -5.784 1.00 21.42 H new ATOM 0 HG23 ILE A 107 -11.376 -11.799 -7.118 1.00 21.42 H new ATOM 0 HD11 ILE A 107 -14.229 -8.548 -7.050 1.00 45.44 H new ATOM 0 HD12 ILE A 107 -13.099 -8.261 -5.705 1.00 45.44 H new ATOM 0 HD13 ILE A 107 -12.491 -8.863 -7.265 1.00 45.44 H new ATOM 1606 N LYS A 108 -13.439 -11.328 -2.753 1.00 12.53 N ATOM 1607 CA LYS A 108 -14.332 -11.077 -1.693 1.00 11.43 C ATOM 1608 C LYS A 108 -14.480 -9.577 -1.523 1.00 62.51 C ATOM 1609 O LYS A 108 -13.484 -8.870 -1.455 1.00 43.33 O ATOM 1610 CB LYS A 108 -13.756 -11.729 -0.425 1.00 2.32 C ATOM 1611 CG LYS A 108 -14.630 -11.647 0.808 1.00 64.11 C ATOM 1612 CD LYS A 108 -15.983 -12.250 0.530 1.00 44.20 C ATOM 1613 CE LYS A 108 -16.826 -12.359 1.770 1.00 11.54 C ATOM 1614 NZ LYS A 108 -18.153 -12.928 1.470 1.00 24.14 N ATOM 0 H LYS A 108 -12.536 -10.863 -2.656 1.00 12.53 H new ATOM 0 HA LYS A 108 -15.318 -11.496 -1.892 1.00 11.43 H new ATOM 0 HB2 LYS A 108 -13.556 -12.779 -0.637 1.00 2.32 H new ATOM 0 HB3 LYS A 108 -12.798 -11.261 -0.201 1.00 2.32 H new ATOM 0 HG2 LYS A 108 -14.153 -12.172 1.636 1.00 64.11 H new ATOM 0 HG3 LYS A 108 -14.743 -10.607 1.113 1.00 64.11 H new ATOM 0 HD2 LYS A 108 -16.505 -11.641 -0.209 1.00 44.20 H new ATOM 0 HD3 LYS A 108 -15.854 -13.240 0.093 1.00 44.20 H new ATOM 0 HE2 LYS A 108 -16.318 -12.985 2.504 1.00 11.54 H new ATOM 0 HE3 LYS A 108 -16.944 -11.373 2.219 1.00 11.54 H new ATOM 0 HZ1 LYS A 108 -18.874 -12.182 1.540 1.00 24.14 H new ATOM 0 HZ2 LYS A 108 -18.153 -13.320 0.507 1.00 24.14 H new ATOM 0 HZ3 LYS A 108 -18.369 -13.684 2.151 1.00 24.14 H new ATOM 1628 N VAL A 109 -15.699 -9.097 -1.477 1.00 11.41 N ATOM 1629 CA VAL A 109 -15.956 -7.686 -1.283 1.00 43.12 C ATOM 1630 C VAL A 109 -16.770 -7.537 -0.011 1.00 54.34 C ATOM 1631 O VAL A 109 -17.912 -7.961 0.044 1.00 61.20 O ATOM 1632 CB VAL A 109 -16.776 -7.056 -2.475 1.00 71.42 C ATOM 1633 CG1 VAL A 109 -16.973 -5.570 -2.298 1.00 72.41 C ATOM 1634 CG2 VAL A 109 -16.123 -7.338 -3.811 1.00 51.25 C ATOM 0 H VAL A 109 -16.539 -9.668 -1.572 1.00 11.41 H new ATOM 0 HA VAL A 109 -15.000 -7.166 -1.227 1.00 43.12 H new ATOM 0 HB VAL A 109 -17.756 -7.533 -2.463 1.00 71.42 H new ATOM 0 HG11 VAL A 109 -17.542 -5.176 -3.140 1.00 72.41 H new ATOM 0 HG12 VAL A 109 -17.518 -5.383 -1.373 1.00 72.41 H new ATOM 0 HG13 VAL A 109 -16.002 -5.077 -2.254 1.00 72.41 H new ATOM 0 HG21 VAL A 109 -16.716 -6.889 -4.608 1.00 51.25 H new ATOM 0 HG22 VAL A 109 -15.119 -6.913 -3.822 1.00 51.25 H new ATOM 0 HG23 VAL A 109 -16.063 -8.415 -3.967 1.00 51.25 H new ATOM 1644 N LEU A 110 -16.190 -6.960 0.991 1.00 75.20 N ATOM 1645 CA LEU A 110 -16.865 -6.744 2.253 1.00 53.54 C ATOM 1646 C LEU A 110 -17.069 -5.288 2.449 1.00 63.23 C ATOM 1647 O LEU A 110 -16.316 -4.500 1.915 1.00 50.44 O ATOM 1648 CB LEU A 110 -16.023 -7.257 3.433 1.00 61.50 C ATOM 1649 CG LEU A 110 -15.892 -8.752 3.604 1.00 53.21 C ATOM 1650 CD1 LEU A 110 -14.950 -9.060 4.765 1.00 32.24 C ATOM 1651 CD2 LEU A 110 -17.261 -9.340 3.881 1.00 51.12 C ATOM 0 H LEU A 110 -15.229 -6.619 0.968 1.00 75.20 H new ATOM 0 HA LEU A 110 -17.812 -7.283 2.223 1.00 53.54 H new ATOM 0 HB2 LEU A 110 -15.020 -6.841 3.335 1.00 61.50 H new ATOM 0 HB3 LEU A 110 -16.448 -6.850 4.350 1.00 61.50 H new ATOM 0 HG LEU A 110 -15.483 -9.191 2.694 1.00 53.21 H new ATOM 0 HD11 LEU A 110 -14.859 -10.140 4.883 1.00 32.24 H new ATOM 0 HD12 LEU A 110 -13.968 -8.634 4.560 1.00 32.24 H new ATOM 0 HD13 LEU A 110 -15.349 -8.627 5.682 1.00 32.24 H new ATOM 0 HD21 LEU A 110 -17.175 -10.419 4.006 1.00 51.12 H new ATOM 0 HD22 LEU A 110 -17.668 -8.901 4.792 1.00 51.12 H new ATOM 0 HD23 LEU A 110 -17.926 -9.123 3.045 1.00 51.12 H new ATOM 1663 N PRO A 111 -18.084 -4.886 3.186 1.00 12.04 N ATOM 1664 CA PRO A 111 -18.229 -3.510 3.562 1.00 3.12 C ATOM 1665 C PRO A 111 -17.225 -3.219 4.662 1.00 52.41 C ATOM 1666 O PRO A 111 -17.135 -3.979 5.638 1.00 23.23 O ATOM 1667 CB PRO A 111 -19.673 -3.409 4.095 1.00 21.44 C ATOM 1668 CG PRO A 111 -20.289 -4.755 3.857 1.00 52.05 C ATOM 1669 CD PRO A 111 -19.168 -5.722 3.712 1.00 42.21 C ATOM 0 HA PRO A 111 -18.055 -2.804 2.750 1.00 3.12 H new ATOM 0 HB2 PRO A 111 -19.682 -3.156 5.155 1.00 21.44 H new ATOM 0 HB3 PRO A 111 -20.228 -2.627 3.576 1.00 21.44 H new ATOM 0 HG2 PRO A 111 -20.937 -5.036 4.688 1.00 52.05 H new ATOM 0 HG3 PRO A 111 -20.908 -4.744 2.960 1.00 52.05 H new ATOM 0 HD2 PRO A 111 -18.901 -6.178 4.665 1.00 42.21 H new ATOM 0 HD3 PRO A 111 -19.420 -6.534 3.030 1.00 42.21 H new ATOM 1677 N LYS A 112 -16.459 -2.163 4.514 1.00 44.15 N ATOM 1678 CA LYS A 112 -15.460 -1.832 5.492 1.00 61.22 C ATOM 1679 C LYS A 112 -16.157 -1.232 6.661 1.00 4.40 C ATOM 1680 O LYS A 112 -16.774 -0.197 6.553 1.00 50.40 O ATOM 1681 CB LYS A 112 -14.416 -0.868 4.910 1.00 51.50 C ATOM 1682 CG LYS A 112 -13.322 -0.431 5.881 1.00 23.15 C ATOM 1683 CD LYS A 112 -12.340 0.521 5.209 1.00 71.24 C ATOM 1684 CE LYS A 112 -11.281 1.030 6.162 1.00 14.24 C ATOM 1685 NZ LYS A 112 -10.363 1.996 5.507 1.00 44.54 N ATOM 0 H LYS A 112 -16.512 -1.521 3.723 1.00 44.15 H new ATOM 0 HA LYS A 112 -14.919 -2.727 5.798 1.00 61.22 H new ATOM 0 HB2 LYS A 112 -13.946 -1.343 4.049 1.00 51.50 H new ATOM 0 HB3 LYS A 112 -14.930 0.020 4.543 1.00 51.50 H new ATOM 0 HG2 LYS A 112 -13.772 0.057 6.745 1.00 23.15 H new ATOM 0 HG3 LYS A 112 -12.789 -1.307 6.251 1.00 23.15 H new ATOM 0 HD2 LYS A 112 -11.858 0.011 4.375 1.00 71.24 H new ATOM 0 HD3 LYS A 112 -12.887 1.367 4.793 1.00 71.24 H new ATOM 0 HE2 LYS A 112 -11.761 1.508 7.016 1.00 14.24 H new ATOM 0 HE3 LYS A 112 -10.706 0.188 6.549 1.00 14.24 H new ATOM 0 HZ1 LYS A 112 -9.549 2.178 6.129 1.00 44.54 H new ATOM 0 HZ2 LYS A 112 -10.028 1.600 4.605 1.00 44.54 H new ATOM 0 HZ3 LYS A 112 -10.868 2.888 5.328 1.00 44.54 H new ATOM 1699 N ARG A 113 -16.131 -1.926 7.740 1.00 45.43 N ATOM 1700 CA ARG A 113 -16.793 -1.487 8.912 1.00 13.03 C ATOM 1701 C ARG A 113 -16.092 -1.971 10.124 1.00 71.42 C ATOM 1702 O ARG A 113 -15.337 -2.946 10.066 1.00 44.30 O ATOM 1703 CB ARG A 113 -18.253 -1.917 8.883 1.00 74.44 C ATOM 1704 CG ARG A 113 -18.482 -3.382 8.656 1.00 24.13 C ATOM 1705 CD ARG A 113 -19.950 -3.639 8.522 1.00 52.40 C ATOM 1706 NE ARG A 113 -20.232 -5.021 8.142 1.00 52.54 N ATOM 1707 CZ ARG A 113 -21.250 -5.397 7.367 1.00 31.11 C ATOM 1708 NH1 ARG A 113 -22.132 -4.497 6.918 1.00 24.32 N ATOM 1709 NH2 ARG A 113 -21.381 -6.671 7.027 1.00 62.33 N ATOM 0 H ARG A 113 -15.647 -2.819 7.835 1.00 45.43 H new ATOM 0 HA ARG A 113 -16.771 -0.398 8.946 1.00 13.03 H new ATOM 0 HB2 ARG A 113 -18.717 -1.635 9.828 1.00 74.44 H new ATOM 0 HB3 ARG A 113 -18.764 -1.360 8.098 1.00 74.44 H new ATOM 0 HG2 ARG A 113 -17.961 -3.708 7.756 1.00 24.13 H new ATOM 0 HG3 ARG A 113 -18.075 -3.958 9.487 1.00 24.13 H new ATOM 0 HD2 ARG A 113 -20.445 -3.415 9.467 1.00 52.40 H new ATOM 0 HD3 ARG A 113 -20.369 -2.965 7.775 1.00 52.40 H new ATOM 0 HE ARG A 113 -19.608 -5.748 8.493 1.00 52.54 H new ATOM 0 HH11 ARG A 113 -22.029 -3.513 7.168 1.00 24.32 H new ATOM 0 HH12 ARG A 113 -22.907 -4.794 6.326 1.00 24.32 H new ATOM 0 HH21 ARG A 113 -20.705 -7.359 7.358 1.00 62.33 H new ATOM 0 HH22 ARG A 113 -22.158 -6.963 6.434 1.00 62.33 H new ATOM 1723 N THR A 114 -16.307 -1.271 11.217 1.00 60.11 N ATOM 1724 CA THR A 114 -15.707 -1.570 12.496 1.00 12.22 C ATOM 1725 C THR A 114 -14.179 -1.246 12.447 1.00 62.11 C ATOM 1726 O THR A 114 -13.397 -1.650 13.310 1.00 33.35 O ATOM 1727 CB THR A 114 -15.982 -3.059 12.894 1.00 33.31 C ATOM 1728 OG1 THR A 114 -17.387 -3.328 12.695 1.00 75.52 O ATOM 1729 CG2 THR A 114 -15.675 -3.301 14.365 1.00 53.22 C ATOM 0 H THR A 114 -16.921 -0.457 11.239 1.00 60.11 H new ATOM 0 HA THR A 114 -16.157 -0.945 13.268 1.00 12.22 H new ATOM 0 HB THR A 114 -15.349 -3.703 12.283 1.00 33.31 H new ATOM 0 HG1 THR A 114 -17.580 -4.258 12.937 1.00 75.52 H new ATOM 0 HG21 THR A 114 -15.876 -4.344 14.612 1.00 53.22 H new ATOM 0 HG22 THR A 114 -14.626 -3.077 14.559 1.00 53.22 H new ATOM 0 HG23 THR A 114 -16.303 -2.656 14.979 1.00 53.22 H new ATOM 1737 N ASN A 115 -13.775 -0.447 11.446 1.00 2.03 N ATOM 1738 CA ASN A 115 -12.368 -0.032 11.298 1.00 33.03 C ATOM 1739 C ASN A 115 -12.137 1.271 12.024 1.00 4.23 C ATOM 1740 O ASN A 115 -11.130 1.938 11.818 1.00 42.31 O ATOM 1741 CB ASN A 115 -11.938 0.115 9.816 1.00 73.21 C ATOM 1742 CG ASN A 115 -11.855 -1.189 9.016 1.00 11.25 C ATOM 1743 OD1 ASN A 115 -11.033 -1.311 8.120 1.00 1.01 O ATOM 1744 ND2 ASN A 115 -12.697 -2.150 9.302 1.00 2.53 N ATOM 0 H ASN A 115 -14.399 -0.076 10.729 1.00 2.03 H new ATOM 0 HA ASN A 115 -11.757 -0.822 11.735 1.00 33.03 H new ATOM 0 HB2 ASN A 115 -12.641 0.782 9.317 1.00 73.21 H new ATOM 0 HB3 ASN A 115 -10.963 0.601 9.786 1.00 73.21 H new ATOM 0 HD21 ASN A 115 -12.675 -3.022 8.773 1.00 2.53 H new ATOM 0 HD22 ASN A 115 -13.375 -2.027 10.054 1.00 2.53 H new ATOM 1751 N MET A 116 -13.078 1.605 12.899 1.00 72.25 N ATOM 1752 CA MET A 116 -13.020 2.814 13.701 1.00 4.01 C ATOM 1753 C MET A 116 -11.776 2.793 14.572 1.00 13.33 C ATOM 1754 O MET A 116 -11.595 1.852 15.359 1.00 75.23 O ATOM 1755 CB MET A 116 -14.244 2.911 14.617 1.00 12.15 C ATOM 1756 CG MET A 116 -15.589 2.877 13.911 1.00 72.40 C ATOM 1757 SD MET A 116 -16.970 3.082 15.060 1.00 54.42 S ATOM 1758 CE MET A 116 -16.703 1.717 16.196 1.00 64.21 C ATOM 0 H MET A 116 -13.908 1.038 13.071 1.00 72.25 H new ATOM 0 HA MET A 116 -12.998 3.669 13.025 1.00 4.01 H new ATOM 0 HB2 MET A 116 -14.207 2.090 15.333 1.00 12.15 H new ATOM 0 HB3 MET A 116 -14.176 3.836 15.189 1.00 12.15 H new ATOM 0 HG2 MET A 116 -15.623 3.666 13.160 1.00 72.40 H new ATOM 0 HG3 MET A 116 -15.696 1.930 13.383 1.00 72.40 H new ATOM 0 HE1 MET A 116 -17.665 1.334 16.537 1.00 64.21 H new ATOM 0 HE2 MET A 116 -16.155 0.923 15.688 1.00 64.21 H new ATOM 0 HE3 MET A 116 -16.127 2.065 17.053 1.00 64.21 H new ATOM 1768 N PRO A 117 -10.907 3.808 14.440 1.00 1.42 N ATOM 1769 CA PRO A 117 -9.668 3.907 15.218 1.00 2.30 C ATOM 1770 C PRO A 117 -9.917 3.857 16.720 1.00 13.23 C ATOM 1771 O PRO A 117 -10.906 4.418 17.228 1.00 13.54 O ATOM 1772 CB PRO A 117 -9.109 5.274 14.822 1.00 61.10 C ATOM 1773 CG PRO A 117 -9.664 5.508 13.473 1.00 63.21 C ATOM 1774 CD PRO A 117 -11.044 4.933 13.500 1.00 33.14 C ATOM 0 HA PRO A 117 -8.994 3.075 15.012 1.00 2.30 H new ATOM 0 HB2 PRO A 117 -9.419 6.050 15.522 1.00 61.10 H new ATOM 0 HB3 PRO A 117 -8.019 5.272 14.811 1.00 61.10 H new ATOM 0 HG2 PRO A 117 -9.687 6.572 13.238 1.00 63.21 H new ATOM 0 HG3 PRO A 117 -9.054 5.026 12.709 1.00 63.21 H new ATOM 0 HD2 PRO A 117 -11.779 5.661 13.844 1.00 33.14 H new ATOM 0 HD3 PRO A 117 -11.363 4.599 12.513 1.00 33.14 H new ATOM 1782 N GLY A 118 -9.040 3.182 17.416 1.00 34.03 N ATOM 1783 CA GLY A 118 -9.159 3.049 18.839 1.00 23.41 C ATOM 1784 C GLY A 118 -8.377 4.115 19.556 1.00 45.24 C ATOM 1785 O GLY A 118 -8.119 5.186 18.994 1.00 22.40 O ATOM 0 H GLY A 118 -8.229 2.713 17.013 1.00 34.03 H new ATOM 0 HA2 GLY A 118 -10.209 3.111 19.125 1.00 23.41 H new ATOM 0 HA3 GLY A 118 -8.802 2.066 19.145 1.00 23.41 H new ATOM 1789 N ILE A 119 -7.995 3.840 20.774 1.00 43.21 N ATOM 1790 CA ILE A 119 -7.242 4.791 21.553 1.00 63.41 C ATOM 1791 C ILE A 119 -5.757 4.886 21.161 1.00 44.31 C ATOM 1792 O ILE A 119 -4.922 4.096 21.575 1.00 23.44 O ATOM 1793 CB ILE A 119 -7.508 4.708 23.106 1.00 2.23 C ATOM 1794 CG1 ILE A 119 -7.578 3.247 23.658 1.00 73.13 C ATOM 1795 CG2 ILE A 119 -8.776 5.464 23.466 1.00 5.41 C ATOM 1796 CD1 ILE A 119 -6.301 2.443 23.594 1.00 20.42 C ATOM 0 H ILE A 119 -8.193 2.961 21.252 1.00 43.21 H new ATOM 0 HA ILE A 119 -7.651 5.761 21.271 1.00 63.41 H new ATOM 0 HB ILE A 119 -6.646 5.174 23.584 1.00 2.23 H new ATOM 0 HG12 ILE A 119 -7.903 3.290 24.698 1.00 73.13 H new ATOM 0 HG13 ILE A 119 -8.348 2.709 23.105 1.00 73.13 H new ATOM 0 HG21 ILE A 119 -8.946 5.398 24.541 1.00 5.41 H new ATOM 0 HG22 ILE A 119 -8.670 6.510 23.179 1.00 5.41 H new ATOM 0 HG23 ILE A 119 -9.623 5.027 22.937 1.00 5.41 H new ATOM 0 HD11 ILE A 119 -6.476 1.449 24.005 1.00 20.42 H new ATOM 0 HD12 ILE A 119 -5.978 2.355 22.557 1.00 20.42 H new ATOM 0 HD13 ILE A 119 -5.526 2.944 24.174 1.00 20.42 H new ATOM 1808 N SER A 120 -5.473 5.833 20.303 1.00 53.55 N ATOM 1809 CA SER A 120 -4.142 6.092 19.848 1.00 11.40 C ATOM 1810 C SER A 120 -4.047 7.564 19.460 1.00 75.22 C ATOM 1811 O SER A 120 -4.526 7.968 18.397 1.00 32.40 O ATOM 1812 CB SER A 120 -3.796 5.171 18.649 1.00 31.15 C ATOM 1813 OG SER A 120 -2.446 5.319 18.216 1.00 5.42 O ATOM 0 H SER A 120 -6.175 6.452 19.898 1.00 53.55 H new ATOM 0 HA SER A 120 -3.423 5.880 20.639 1.00 11.40 H new ATOM 0 HB2 SER A 120 -3.972 4.133 18.931 1.00 31.15 H new ATOM 0 HB3 SER A 120 -4.466 5.394 17.819 1.00 31.15 H new ATOM 0 HG SER A 120 -2.277 4.718 17.461 1.00 5.42 H new ATOM 1819 N SER A 121 -3.495 8.364 20.342 1.00 20.14 N ATOM 1820 CA SER A 121 -3.368 9.775 20.094 1.00 45.13 C ATOM 1821 C SER A 121 -2.223 10.367 20.919 1.00 40.12 C ATOM 1822 O SER A 121 -2.374 10.653 22.109 1.00 3.13 O ATOM 1823 CB SER A 121 -4.706 10.488 20.397 1.00 61.32 C ATOM 1824 OG SER A 121 -4.655 11.870 20.088 1.00 1.25 O ATOM 0 H SER A 121 -3.126 8.056 21.242 1.00 20.14 H new ATOM 0 HA SER A 121 -3.130 9.929 19.042 1.00 45.13 H new ATOM 0 HB2 SER A 121 -5.505 10.018 19.823 1.00 61.32 H new ATOM 0 HB3 SER A 121 -4.953 10.361 21.451 1.00 61.32 H new ATOM 0 HG SER A 121 -5.520 12.283 20.292 1.00 1.25 H new ATOM 1830 N THR A 122 -1.072 10.494 20.297 1.00 44.41 N ATOM 1831 CA THR A 122 0.087 11.090 20.932 1.00 52.22 C ATOM 1832 C THR A 122 0.680 12.130 19.969 1.00 70.14 C ATOM 1833 O THR A 122 1.812 12.611 20.130 1.00 62.13 O ATOM 1834 CB THR A 122 1.149 9.991 21.304 1.00 32.12 C ATOM 1835 OG1 THR A 122 2.233 10.558 22.058 1.00 13.32 O ATOM 1836 CG2 THR A 122 1.712 9.317 20.059 1.00 10.53 C ATOM 0 H THR A 122 -0.911 10.188 19.337 1.00 44.41 H new ATOM 0 HA THR A 122 -0.207 11.576 21.862 1.00 52.22 H new ATOM 0 HB THR A 122 0.635 9.245 21.910 1.00 32.12 H new ATOM 0 HG1 THR A 122 2.513 11.401 21.644 1.00 13.32 H new ATOM 0 HG21 THR A 122 2.443 8.563 20.352 1.00 10.53 H new ATOM 0 HG22 THR A 122 0.903 8.842 19.505 1.00 10.53 H new ATOM 0 HG23 THR A 122 2.194 10.063 19.428 1.00 10.53 H new ATOM 1844 N ASP A 123 -0.127 12.496 18.993 1.00 44.23 N ATOM 1845 CA ASP A 123 0.247 13.440 17.957 1.00 63.11 C ATOM 1846 C ASP A 123 -0.953 14.272 17.611 1.00 43.31 C ATOM 1847 O ASP A 123 -2.040 13.728 17.384 1.00 65.35 O ATOM 1848 CB ASP A 123 0.745 12.711 16.703 1.00 42.34 C ATOM 1849 CG ASP A 123 1.055 13.671 15.565 1.00 30.44 C ATOM 1850 OD1 ASP A 123 2.153 14.253 15.558 1.00 1.53 O ATOM 1851 OD2 ASP A 123 0.191 13.868 14.687 1.00 20.42 O ATOM 0 H ASP A 123 -1.078 12.140 18.895 1.00 44.23 H new ATOM 0 HA ASP A 123 1.056 14.071 18.326 1.00 63.11 H new ATOM 0 HB2 ASP A 123 1.640 12.140 16.948 1.00 42.34 H new ATOM 0 HB3 ASP A 123 -0.010 11.996 16.377 1.00 42.34 H new ATOM 1856 N ARG A 124 -0.782 15.563 17.571 1.00 51.00 N ATOM 1857 CA ARG A 124 -1.885 16.459 17.288 1.00 12.11 C ATOM 1858 C ARG A 124 -1.592 17.248 16.012 1.00 44.44 C ATOM 1859 O ARG A 124 -0.419 17.330 15.577 1.00 42.51 O ATOM 1860 CB ARG A 124 -2.091 17.419 18.464 1.00 70.21 C ATOM 1861 CG ARG A 124 -3.361 18.256 18.394 1.00 74.22 C ATOM 1862 CD ARG A 124 -4.593 17.371 18.477 1.00 12.31 C ATOM 1863 NE ARG A 124 -5.848 18.127 18.431 1.00 41.24 N ATOM 1864 CZ ARG A 124 -7.065 17.556 18.378 1.00 62.10 C ATOM 1865 NH1 ARG A 124 -7.190 16.228 18.402 1.00 5.34 N ATOM 1866 NH2 ARG A 124 -8.154 18.316 18.319 1.00 61.43 N ATOM 0 H ARG A 124 0.112 16.027 17.731 1.00 51.00 H new ATOM 0 HA ARG A 124 -2.795 15.876 17.146 1.00 12.11 H new ATOM 0 HB2 ARG A 124 -2.105 16.841 19.388 1.00 70.21 H new ATOM 0 HB3 ARG A 124 -1.234 18.090 18.521 1.00 70.21 H new ATOM 0 HG2 ARG A 124 -3.371 18.979 19.209 1.00 74.22 H new ATOM 0 HG3 ARG A 124 -3.377 18.824 17.464 1.00 74.22 H new ATOM 0 HD2 ARG A 124 -4.576 16.656 17.654 1.00 12.31 H new ATOM 0 HD3 ARG A 124 -4.557 16.794 19.401 1.00 12.31 H new ATOM 0 HE ARG A 124 -5.796 19.146 18.440 1.00 41.24 H new ATOM 0 HH11 ARG A 124 -6.360 15.639 18.461 1.00 5.34 H new ATOM 0 HH12 ARG A 124 -8.116 15.802 18.362 1.00 5.34 H new ATOM 0 HH21 ARG A 124 -8.067 19.332 18.314 1.00 61.43 H new ATOM 0 HH22 ARG A 124 -9.077 17.883 18.279 1.00 61.43 H new TER 1880 ARG A 124 ATOM 1881 N ALA B 1 29.492 7.824 4.868 1.00 53.05 N ATOM 1882 CA ALA B 1 28.426 7.578 3.914 1.00 34.34 C ATOM 1883 C ALA B 1 27.133 8.181 4.439 1.00 13.23 C ATOM 1884 O ALA B 1 27.078 8.626 5.603 1.00 50.04 O ATOM 1885 CB ALA B 1 28.266 6.080 3.680 1.00 61.22 C ATOM 0 H1 ALA B 1 30.244 8.379 4.412 1.00 53.05 H new ATOM 0 H2 ALA B 1 29.116 8.353 5.681 1.00 53.05 H new ATOM 0 H3 ALA B 1 29.881 6.917 5.196 1.00 53.05 H new ATOM 0 HA ALA B 1 28.674 8.045 2.961 1.00 34.34 H new ATOM 0 HB1 ALA B 1 27.464 5.907 2.963 1.00 61.22 H new ATOM 0 HB2 ALA B 1 29.197 5.671 3.288 1.00 61.22 H new ATOM 0 HB3 ALA B 1 28.022 5.589 4.622 1.00 61.22 H new ATOM 1891 N ILE B 2 26.120 8.213 3.610 1.00 61.43 N ATOM 1892 CA ILE B 2 24.836 8.748 3.997 1.00 34.15 C ATOM 1893 C ILE B 2 23.979 7.627 4.566 1.00 10.22 C ATOM 1894 O ILE B 2 23.572 6.706 3.845 1.00 42.14 O ATOM 1895 CB ILE B 2 24.101 9.415 2.795 1.00 22.31 C ATOM 1896 CG1 ILE B 2 24.970 10.532 2.172 1.00 30.04 C ATOM 1897 CG2 ILE B 2 22.737 9.968 3.221 1.00 72.51 C ATOM 1898 CD1 ILE B 2 25.325 11.665 3.124 1.00 64.12 C ATOM 0 H ILE B 2 26.160 7.870 2.650 1.00 61.43 H new ATOM 0 HA ILE B 2 25.001 9.518 4.751 1.00 34.15 H new ATOM 0 HB ILE B 2 23.933 8.648 2.039 1.00 22.31 H new ATOM 0 HG12 ILE B 2 25.892 10.089 1.795 1.00 30.04 H new ATOM 0 HG13 ILE B 2 24.443 10.948 1.314 1.00 30.04 H new ATOM 0 HG21 ILE B 2 22.247 10.428 2.363 1.00 72.51 H new ATOM 0 HG22 ILE B 2 22.118 9.156 3.601 1.00 72.51 H new ATOM 0 HG23 ILE B 2 22.875 10.715 4.003 1.00 72.51 H new ATOM 0 HD11 ILE B 2 25.935 12.402 2.601 1.00 64.12 H new ATOM 0 HD12 ILE B 2 24.411 12.139 3.482 1.00 64.12 H new ATOM 0 HD13 ILE B 2 25.883 11.267 3.971 1.00 64.12 H new ATOM 1910 N ALA B 3 23.740 7.689 5.843 1.00 10.20 N ATOM 1911 CA ALA B 3 22.967 6.698 6.532 1.00 45.43 C ATOM 1912 C ALA B 3 21.989 7.379 7.482 1.00 45.24 C ATOM 1913 O ALA B 3 22.397 7.920 8.519 1.00 2.13 O ATOM 1914 CB ALA B 3 23.890 5.750 7.290 1.00 20.14 C ATOM 0 H ALA B 3 24.081 8.440 6.443 1.00 10.20 H new ATOM 0 HA ALA B 3 22.398 6.114 5.809 1.00 45.43 H new ATOM 0 HB1 ALA B 3 23.294 5.000 7.810 1.00 20.14 H new ATOM 0 HB2 ALA B 3 24.561 5.256 6.587 1.00 20.14 H new ATOM 0 HB3 ALA B 3 24.476 6.315 8.015 1.00 20.14 H new ATOM 1920 N PRO B 4 20.690 7.397 7.133 1.00 33.41 N ATOM 1921 CA PRO B 4 19.667 8.033 7.960 1.00 23.51 C ATOM 1922 C PRO B 4 19.451 7.292 9.286 1.00 74.32 C ATOM 1923 O PRO B 4 19.288 6.068 9.310 1.00 71.42 O ATOM 1924 CB PRO B 4 18.400 7.974 7.093 1.00 64.02 C ATOM 1925 CG PRO B 4 18.634 6.851 6.139 1.00 71.04 C ATOM 1926 CD PRO B 4 20.119 6.800 5.902 1.00 3.20 C ATOM 0 HA PRO B 4 19.948 9.048 8.242 1.00 23.51 H new ATOM 0 HB2 PRO B 4 17.514 7.796 7.702 1.00 64.02 H new ATOM 0 HB3 PRO B 4 18.240 8.914 6.564 1.00 64.02 H new ATOM 0 HG2 PRO B 4 18.274 5.909 6.552 1.00 71.04 H new ATOM 0 HG3 PRO B 4 18.097 7.016 5.205 1.00 71.04 H new ATOM 0 HD2 PRO B 4 20.466 5.777 5.754 1.00 3.20 H new ATOM 0 HD3 PRO B 4 20.403 7.365 5.014 1.00 3.20 H new ATOM 1934 N CYS B 5 19.459 8.026 10.374 1.00 71.10 N ATOM 1935 CA CYS B 5 19.254 7.448 11.697 1.00 45.23 C ATOM 1936 C CYS B 5 17.805 7.634 12.147 1.00 4.30 C ATOM 1937 O CYS B 5 17.443 7.322 13.277 1.00 73.14 O ATOM 1938 CB CYS B 5 20.215 8.097 12.694 1.00 24.14 C ATOM 1939 SG CYS B 5 20.117 9.902 12.744 1.00 53.04 S ATOM 0 H CYS B 5 19.606 9.035 10.376 1.00 71.10 H new ATOM 0 HA CYS B 5 19.457 6.378 11.653 1.00 45.23 H new ATOM 0 HB2 CYS B 5 20.008 7.705 13.690 1.00 24.14 H new ATOM 0 HB3 CYS B 5 21.235 7.806 12.442 1.00 24.14 H new ATOM 0 HG CYS B 5 20.965 10.359 13.617 1.00 53.04 H new ATOM 1945 N MET B 6 16.991 8.129 11.242 1.00 4.00 N ATOM 1946 CA MET B 6 15.592 8.393 11.519 1.00 22.55 C ATOM 1947 C MET B 6 14.772 7.117 11.426 1.00 2.20 C ATOM 1948 O MET B 6 15.173 6.153 10.751 1.00 34.23 O ATOM 1949 CB MET B 6 15.012 9.443 10.546 1.00 52.14 C ATOM 1950 CG MET B 6 15.677 10.825 10.575 1.00 50.42 C ATOM 1951 SD MET B 6 17.386 10.836 9.960 1.00 41.24 S ATOM 1952 CE MET B 6 17.791 12.570 10.181 1.00 72.12 C ATOM 0 H MET B 6 17.278 8.361 10.291 1.00 4.00 H new ATOM 0 HA MET B 6 15.535 8.786 12.534 1.00 22.55 H new ATOM 0 HB2 MET B 6 15.083 9.049 9.532 1.00 52.14 H new ATOM 0 HB3 MET B 6 13.952 9.567 10.766 1.00 52.14 H new ATOM 0 HG2 MET B 6 15.082 11.516 9.977 1.00 50.42 H new ATOM 0 HG3 MET B 6 15.668 11.200 11.598 1.00 50.42 H new ATOM 0 HE1 MET B 6 18.814 12.750 9.850 1.00 72.12 H new ATOM 0 HE2 MET B 6 17.106 13.181 9.593 1.00 72.12 H new ATOM 0 HE3 MET B 6 17.699 12.834 11.235 1.00 72.12 H new ATOM 1962 N GLN B 7 13.642 7.118 12.099 1.00 71.12 N ATOM 1963 CA GLN B 7 12.714 6.015 12.086 1.00 11.14 C ATOM 1964 C GLN B 7 11.288 6.536 12.094 1.00 45.22 C ATOM 1965 O GLN B 7 11.072 7.745 12.245 1.00 64.52 O ATOM 1966 CB GLN B 7 13.006 4.996 13.238 1.00 73.13 C ATOM 1967 CG GLN B 7 13.122 5.546 14.674 1.00 22.13 C ATOM 1968 CD GLN B 7 11.834 6.098 15.246 1.00 61.30 C ATOM 1969 OE1 GLN B 7 11.537 7.271 15.122 1.00 50.03 O ATOM 1970 NE2 GLN B 7 11.065 5.251 15.875 1.00 21.35 N ATOM 0 H GLN B 7 13.340 7.900 12.680 1.00 71.12 H new ATOM 0 HA GLN B 7 12.848 5.452 11.162 1.00 11.14 H new ATOM 0 HB2 GLN B 7 12.215 4.246 13.230 1.00 73.13 H new ATOM 0 HB3 GLN B 7 13.937 4.480 13.001 1.00 73.13 H new ATOM 0 HG2 GLN B 7 13.481 4.749 15.326 1.00 22.13 H new ATOM 0 HG3 GLN B 7 13.876 6.333 14.687 1.00 22.13 H new ATOM 0 HE21 GLN B 7 11.345 4.274 15.960 1.00 21.35 H new ATOM 0 HE22 GLN B 7 10.184 5.566 16.281 1.00 21.35 H new ATOM 1979 N THR B 8 10.330 5.661 11.912 1.00 11.44 N ATOM 1980 CA THR B 8 8.951 6.064 11.899 1.00 13.12 C ATOM 1981 C THR B 8 8.439 6.312 13.323 1.00 32.25 C ATOM 1982 O THR B 8 8.433 5.406 14.164 1.00 54.13 O ATOM 1983 CB THR B 8 8.077 5.010 11.190 1.00 10.12 C ATOM 1984 OG1 THR B 8 8.596 4.786 9.872 1.00 32.21 O ATOM 1985 CG2 THR B 8 6.635 5.493 11.074 1.00 45.53 C ATOM 0 H THR B 8 10.484 4.663 11.771 1.00 11.44 H new ATOM 0 HA THR B 8 8.882 6.999 11.342 1.00 13.12 H new ATOM 0 HB THR B 8 8.095 4.090 11.774 1.00 10.12 H new ATOM 0 HG1 THR B 8 9.386 4.209 9.925 1.00 32.21 H new ATOM 0 HG21 THR B 8 6.036 4.734 10.571 1.00 45.53 H new ATOM 0 HG22 THR B 8 6.230 5.673 12.070 1.00 45.53 H new ATOM 0 HG23 THR B 8 6.606 6.418 10.498 1.00 45.53 H new ATOM 1993 N THR B 9 8.061 7.544 13.587 1.00 32.23 N ATOM 1994 CA THR B 9 7.493 7.952 14.849 1.00 14.12 C ATOM 1995 C THR B 9 6.222 7.115 15.159 1.00 51.14 C ATOM 1996 O THR B 9 5.367 6.906 14.280 1.00 1.22 O ATOM 1997 CB THR B 9 7.172 9.460 14.771 1.00 75.31 C ATOM 1998 OG1 THR B 9 8.390 10.165 14.451 1.00 12.43 O ATOM 1999 CG2 THR B 9 6.621 9.991 16.081 1.00 45.23 C ATOM 0 H THR B 9 8.143 8.305 12.913 1.00 32.23 H new ATOM 0 HA THR B 9 8.200 7.779 15.660 1.00 14.12 H new ATOM 0 HB THR B 9 6.411 9.613 14.006 1.00 75.31 H new ATOM 0 HG1 THR B 9 8.207 11.126 14.395 1.00 12.43 H new ATOM 0 HG21 THR B 9 6.409 11.056 15.982 1.00 45.23 H new ATOM 0 HG22 THR B 9 5.703 9.460 16.331 1.00 45.23 H new ATOM 0 HG23 THR B 9 7.355 9.840 16.872 1.00 45.23 H new ATOM 2007 N HIS B 10 6.119 6.621 16.392 1.00 62.22 N ATOM 2008 CA HIS B 10 5.021 5.738 16.764 1.00 42.45 C ATOM 2009 C HIS B 10 3.707 6.484 16.963 1.00 64.44 C ATOM 2010 O HIS B 10 3.665 7.527 17.624 1.00 15.44 O ATOM 2011 CB HIS B 10 5.357 4.842 18.011 1.00 14.02 C ATOM 2012 CG HIS B 10 5.629 5.560 19.329 1.00 22.12 C ATOM 2013 ND1 HIS B 10 6.867 5.601 19.923 1.00 3.41 N ATOM 2014 CD2 HIS B 10 4.796 6.205 20.184 1.00 51.25 C ATOM 2015 CE1 HIS B 10 6.783 6.233 21.074 1.00 14.45 C ATOM 2016 NE2 HIS B 10 5.539 6.608 21.255 1.00 41.41 N ATOM 0 H HIS B 10 6.779 6.817 17.144 1.00 62.22 H new ATOM 0 HA HIS B 10 4.887 5.070 15.913 1.00 42.45 H new ATOM 0 HB2 HIS B 10 4.527 4.153 18.166 1.00 14.02 H new ATOM 0 HB3 HIS B 10 6.231 4.238 17.768 1.00 14.02 H new ATOM 0 HD2 HIS B 10 3.738 6.369 20.043 1.00 51.25 H new ATOM 0 HE1 HIS B 10 7.601 6.413 21.756 1.00 14.45 H new ATOM 0 HE2 HIS B 10 5.185 7.118 22.064 1.00 41.41 H new ATOM 2025 N SER B 11 2.642 5.951 16.370 1.00 22.13 N ATOM 2026 CA SER B 11 1.293 6.484 16.551 1.00 43.24 C ATOM 2027 C SER B 11 0.857 6.278 18.017 1.00 5.20 C ATOM 2028 O SER B 11 0.055 7.046 18.561 1.00 13.42 O ATOM 2029 CB SER B 11 0.345 5.753 15.604 1.00 22.15 C ATOM 2030 OG SER B 11 0.837 5.814 14.270 1.00 20.34 O ATOM 0 H SER B 11 2.688 5.140 15.753 1.00 22.13 H new ATOM 0 HA SER B 11 1.272 7.550 16.326 1.00 43.24 H new ATOM 0 HB2 SER B 11 0.241 4.713 15.913 1.00 22.15 H new ATOM 0 HB3 SER B 11 -0.647 6.201 15.654 1.00 22.15 H new ATOM 0 HG SER B 11 0.221 5.340 13.672 1.00 20.34 H new ATOM 2036 N LYS B 12 1.412 5.218 18.617 1.00 51.42 N ATOM 2037 CA LYS B 12 1.256 4.859 20.023 1.00 32.45 C ATOM 2038 C LYS B 12 2.001 3.561 20.247 1.00 3.42 C ATOM 2039 O LYS B 12 3.003 3.518 20.948 1.00 63.33 O ATOM 2040 CB LYS B 12 -0.213 4.682 20.438 1.00 15.34 C ATOM 2041 CG LYS B 12 -0.377 4.365 21.912 1.00 54.34 C ATOM 2042 CD LYS B 12 -1.827 4.202 22.301 1.00 61.21 C ATOM 2043 CE LYS B 12 -1.972 3.948 23.793 1.00 43.44 C ATOM 2044 NZ LYS B 12 -1.396 5.045 24.590 1.00 25.53 N ATOM 0 H LYS B 12 2.006 4.562 18.110 1.00 51.42 H new ATOM 0 HA LYS B 12 1.654 5.671 20.632 1.00 32.45 H new ATOM 0 HB2 LYS B 12 -0.763 5.593 20.204 1.00 15.34 H new ATOM 0 HB3 LYS B 12 -0.658 3.881 19.848 1.00 15.34 H new ATOM 0 HG2 LYS B 12 0.166 3.450 22.148 1.00 54.34 H new ATOM 0 HG3 LYS B 12 0.070 5.163 22.506 1.00 54.34 H new ATOM 0 HD2 LYS B 12 -2.383 5.099 22.027 1.00 61.21 H new ATOM 0 HD3 LYS B 12 -2.264 3.373 21.744 1.00 61.21 H new ATOM 0 HE2 LYS B 12 -3.027 3.832 24.042 1.00 43.44 H new ATOM 0 HE3 LYS B 12 -1.479 3.011 24.053 1.00 43.44 H new ATOM 0 HZ1 LYS B 12 -1.781 5.012 25.555 1.00 25.53 H new ATOM 0 HZ2 LYS B 12 -0.362 4.942 24.626 1.00 25.53 H new ATOM 0 HZ3 LYS B 12 -1.638 5.957 24.152 1.00 25.53 H new ATOM 2058 N MET B 13 1.507 2.519 19.591 1.00 41.34 N ATOM 2059 CA MET B 13 2.080 1.176 19.633 1.00 60.44 C ATOM 2060 C MET B 13 2.046 0.537 21.015 1.00 74.32 C ATOM 2061 O MET B 13 2.984 0.661 21.792 1.00 62.50 O ATOM 2062 CB MET B 13 3.491 1.098 19.019 1.00 4.04 C ATOM 2063 CG MET B 13 3.543 1.415 17.537 1.00 51.20 C ATOM 2064 SD MET B 13 2.524 0.298 16.558 1.00 62.53 S ATOM 2065 CE MET B 13 2.829 0.935 14.910 1.00 5.44 C ATOM 0 H MET B 13 0.678 2.584 19.001 1.00 41.34 H new ATOM 0 HA MET B 13 1.419 0.584 19.000 1.00 60.44 H new ATOM 0 HB2 MET B 13 4.145 1.790 19.550 1.00 4.04 H new ATOM 0 HB3 MET B 13 3.890 0.096 19.179 1.00 4.04 H new ATOM 0 HG2 MET B 13 3.211 2.440 17.376 1.00 51.20 H new ATOM 0 HG3 MET B 13 4.575 1.357 17.192 1.00 51.20 H new ATOM 0 HE1 MET B 13 2.267 0.348 14.183 1.00 5.44 H new ATOM 0 HE2 MET B 13 2.512 1.977 14.858 1.00 5.44 H new ATOM 0 HE3 MET B 13 3.893 0.868 14.685 1.00 5.44 H new ATOM 2075 N THR B 14 0.925 -0.096 21.304 1.00 4.24 N ATOM 2076 CA THR B 14 0.700 -0.906 22.504 1.00 74.44 C ATOM 2077 C THR B 14 -0.784 -1.265 22.553 1.00 60.11 C ATOM 2078 O THR B 14 -1.175 -2.315 23.041 1.00 4.53 O ATOM 2079 CB THR B 14 1.154 -0.220 23.846 1.00 23.01 C ATOM 2080 OG1 THR B 14 0.994 -1.132 24.949 1.00 64.41 O ATOM 2081 CG2 THR B 14 0.367 1.054 24.131 1.00 44.25 C ATOM 0 H THR B 14 0.110 -0.064 20.691 1.00 4.24 H new ATOM 0 HA THR B 14 1.325 -1.796 22.427 1.00 74.44 H new ATOM 0 HB THR B 14 2.204 0.048 23.731 1.00 23.01 H new ATOM 0 HG1 THR B 14 1.281 -0.696 25.778 1.00 64.41 H new ATOM 0 HG21 THR B 14 0.713 1.494 25.066 1.00 44.25 H new ATOM 0 HG22 THR B 14 0.518 1.764 23.318 1.00 44.25 H new ATOM 0 HG23 THR B 14 -0.694 0.816 24.213 1.00 44.25 H new ATOM 2089 N ALA B 15 -1.585 -0.380 22.003 1.00 31.41 N ATOM 2090 CA ALA B 15 -3.008 -0.541 21.901 1.00 50.34 C ATOM 2091 C ALA B 15 -3.469 0.334 20.763 1.00 54.04 C ATOM 2092 O ALA B 15 -2.630 1.007 20.137 1.00 1.35 O ATOM 2093 CB ALA B 15 -3.682 -0.126 23.202 1.00 63.42 C ATOM 0 H ALA B 15 -1.248 0.496 21.604 1.00 31.41 H new ATOM 0 HA ALA B 15 -3.270 -1.583 21.717 1.00 50.34 H new ATOM 0 HB1 ALA B 15 -4.761 -0.253 23.110 1.00 63.42 H new ATOM 0 HB2 ALA B 15 -3.312 -0.747 24.018 1.00 63.42 H new ATOM 0 HB3 ALA B 15 -3.457 0.920 23.411 1.00 63.42 H new ATOM 2099 N GLY B 16 -4.748 0.324 20.471 1.00 21.53 N ATOM 2100 CA GLY B 16 -5.272 1.167 19.417 1.00 64.22 C ATOM 2101 C GLY B 16 -5.245 0.488 18.063 1.00 43.52 C ATOM 2102 O GLY B 16 -6.266 0.376 17.405 1.00 42.02 O ATOM 0 H GLY B 16 -5.443 -0.254 20.944 1.00 21.53 H new ATOM 0 HA2 GLY B 16 -6.297 1.449 19.658 1.00 64.22 H new ATOM 0 HA3 GLY B 16 -4.690 2.088 19.370 1.00 64.22 H new ATOM 2106 N ALA B 17 -4.081 0.047 17.655 1.00 13.10 N ATOM 2107 CA ALA B 17 -3.915 -0.628 16.378 1.00 11.50 C ATOM 2108 C ALA B 17 -3.976 -2.126 16.576 1.00 10.11 C ATOM 2109 O ALA B 17 -3.159 -2.687 17.313 1.00 21.25 O ATOM 2110 CB ALA B 17 -2.587 -0.233 15.746 1.00 23.41 C ATOM 0 H ALA B 17 -3.219 0.142 18.193 1.00 13.10 H new ATOM 0 HA ALA B 17 -4.722 -0.328 15.710 1.00 11.50 H new ATOM 0 HB1 ALA B 17 -2.473 -0.744 14.790 1.00 23.41 H new ATOM 0 HB2 ALA B 17 -2.567 0.845 15.586 1.00 23.41 H new ATOM 0 HB3 ALA B 17 -1.770 -0.517 16.409 1.00 23.41 H new ATOM 2116 N TYR B 18 -4.938 -2.778 15.941 1.00 41.11 N ATOM 2117 CA TYR B 18 -5.078 -4.216 16.101 1.00 14.52 C ATOM 2118 C TYR B 18 -4.981 -4.921 14.757 1.00 33.40 C ATOM 2119 O TYR B 18 -4.026 -5.658 14.503 1.00 32.54 O ATOM 2120 CB TYR B 18 -6.393 -4.564 16.827 1.00 63.44 C ATOM 2121 CG TYR B 18 -6.549 -3.814 18.133 1.00 63.31 C ATOM 2122 CD1 TYR B 18 -5.817 -4.161 19.264 1.00 52.44 C ATOM 2123 CD2 TYR B 18 -7.396 -2.728 18.218 1.00 72.44 C ATOM 2124 CE1 TYR B 18 -5.940 -3.440 20.439 1.00 34.02 C ATOM 2125 CE2 TYR B 18 -7.519 -2.003 19.374 1.00 54.31 C ATOM 2126 CZ TYR B 18 -6.795 -2.357 20.482 1.00 55.23 C ATOM 2127 OH TYR B 18 -6.916 -1.610 21.641 1.00 43.03 O ATOM 0 H TYR B 18 -5.622 -2.344 15.321 1.00 41.11 H new ATOM 0 HA TYR B 18 -4.256 -4.572 16.722 1.00 14.52 H new ATOM 0 HB2 TYR B 18 -7.236 -4.333 16.176 1.00 63.44 H new ATOM 0 HB3 TYR B 18 -6.425 -5.636 17.021 1.00 63.44 H new ATOM 0 HD1 TYR B 18 -5.144 -5.004 19.225 1.00 52.44 H new ATOM 0 HD2 TYR B 18 -7.976 -2.443 17.353 1.00 72.44 H new ATOM 0 HE1 TYR B 18 -5.373 -3.722 21.314 1.00 34.02 H new ATOM 0 HE2 TYR B 18 -8.185 -1.154 19.412 1.00 54.31 H new ATOM 0 HH TYR B 18 -7.559 -0.885 21.497 1.00 43.03 H new ATOM 2137 N THR B 19 -5.940 -4.700 13.890 1.00 52.51 N ATOM 2138 CA THR B 19 -5.901 -5.322 12.594 1.00 15.12 C ATOM 2139 C THR B 19 -6.364 -4.371 11.521 1.00 73.52 C ATOM 2140 O THR B 19 -7.073 -3.411 11.789 1.00 21.24 O ATOM 2141 CB THR B 19 -6.730 -6.642 12.525 1.00 0.25 C ATOM 2142 OG1 THR B 19 -6.625 -7.224 11.211 1.00 70.53 O ATOM 2143 CG2 THR B 19 -8.195 -6.404 12.871 1.00 34.44 C ATOM 0 H THR B 19 -6.748 -4.100 14.058 1.00 52.51 H new ATOM 0 HA THR B 19 -4.858 -5.584 12.419 1.00 15.12 H new ATOM 0 HB THR B 19 -6.319 -7.331 13.263 1.00 0.25 H new ATOM 0 HG1 THR B 19 -6.818 -8.183 11.262 1.00 70.53 H new ATOM 0 HG21 THR B 19 -8.740 -7.346 12.812 1.00 34.44 H new ATOM 0 HG22 THR B 19 -8.270 -6.004 13.882 1.00 34.44 H new ATOM 0 HG23 THR B 19 -8.624 -5.692 12.166 1.00 34.44 H new ATOM 2151 N GLU B 20 -5.920 -4.632 10.324 1.00 31.22 N ATOM 2152 CA GLU B 20 -6.302 -3.879 9.168 1.00 33.13 C ATOM 2153 C GLU B 20 -7.716 -4.256 8.721 1.00 74.54 C ATOM 2154 O GLU B 20 -8.385 -3.468 8.065 1.00 61.50 O ATOM 2155 CB GLU B 20 -5.305 -4.104 8.008 1.00 62.44 C ATOM 2156 CG GLU B 20 -3.863 -3.605 8.252 1.00 71.34 C ATOM 2157 CD GLU B 20 -3.150 -4.282 9.408 1.00 25.51 C ATOM 2158 OE1 GLU B 20 -2.765 -5.454 9.274 1.00 65.23 O ATOM 2159 OE2 GLU B 20 -2.945 -3.629 10.454 1.00 21.22 O ATOM 0 H GLU B 20 -5.269 -5.391 10.123 1.00 31.22 H new ATOM 0 HA GLU B 20 -6.288 -2.823 9.438 1.00 33.13 H new ATOM 0 HB2 GLU B 20 -5.267 -5.171 7.789 1.00 62.44 H new ATOM 0 HB3 GLU B 20 -5.695 -3.609 7.118 1.00 62.44 H new ATOM 0 HG2 GLU B 20 -3.281 -3.757 7.343 1.00 71.34 H new ATOM 0 HG3 GLU B 20 -3.890 -2.531 8.437 1.00 71.34 H new ATOM 2166 N GLY B 21 -8.165 -5.462 9.091 1.00 51.23 N ATOM 2167 CA GLY B 21 -9.485 -5.918 8.696 1.00 3.13 C ATOM 2168 C GLY B 21 -9.716 -7.370 9.050 1.00 34.24 C ATOM 2169 O GLY B 21 -9.304 -7.817 10.114 1.00 41.31 O ATOM 0 H GLY B 21 -7.635 -6.125 9.656 1.00 51.23 H new ATOM 0 HA2 GLY B 21 -10.241 -5.302 9.183 1.00 3.13 H new ATOM 0 HA3 GLY B 21 -9.608 -5.784 7.621 1.00 3.13 H new ATOM 2173 N PRO B 22 -10.387 -8.125 8.158 1.00 0.44 N ATOM 2174 CA PRO B 22 -10.683 -9.562 8.351 1.00 1.32 C ATOM 2175 C PRO B 22 -9.471 -10.464 8.765 1.00 4.44 C ATOM 2176 O PRO B 22 -9.643 -11.316 9.652 1.00 73.02 O ATOM 2177 CB PRO B 22 -11.265 -9.993 7.007 1.00 52.05 C ATOM 2178 CG PRO B 22 -11.863 -8.748 6.462 1.00 45.44 C ATOM 2179 CD PRO B 22 -10.958 -7.627 6.891 1.00 72.11 C ATOM 0 HA PRO B 22 -11.356 -9.690 9.199 1.00 1.32 H new ATOM 0 HB2 PRO B 22 -10.494 -10.389 6.346 1.00 52.05 H new ATOM 0 HB3 PRO B 22 -12.013 -10.776 7.128 1.00 52.05 H new ATOM 0 HG2 PRO B 22 -11.937 -8.795 5.376 1.00 45.44 H new ATOM 0 HG3 PRO B 22 -12.873 -8.601 6.844 1.00 45.44 H new ATOM 0 HD2 PRO B 22 -10.183 -7.428 6.150 1.00 72.11 H new ATOM 0 HD3 PRO B 22 -11.508 -6.697 7.035 1.00 72.11 H new ATOM 2187 N PRO B 23 -8.240 -10.338 8.122 1.00 1.13 N ATOM 2188 CA PRO B 23 -7.061 -11.122 8.533 1.00 61.41 C ATOM 2189 C PRO B 23 -6.772 -10.953 10.028 1.00 22.13 C ATOM 2190 O PRO B 23 -6.954 -9.861 10.581 1.00 41.51 O ATOM 2191 CB PRO B 23 -5.906 -10.527 7.696 1.00 75.05 C ATOM 2192 CG PRO B 23 -6.448 -9.254 7.135 1.00 53.33 C ATOM 2193 CD PRO B 23 -7.916 -9.475 6.974 1.00 24.21 C ATOM 0 HA PRO B 23 -7.203 -12.191 8.371 1.00 61.41 H new ATOM 0 HB2 PRO B 23 -5.026 -10.343 8.313 1.00 75.05 H new ATOM 0 HB3 PRO B 23 -5.602 -11.210 6.902 1.00 75.05 H new ATOM 0 HG2 PRO B 23 -6.249 -8.416 7.803 1.00 53.33 H new ATOM 0 HG3 PRO B 23 -5.981 -9.017 6.179 1.00 53.33 H new ATOM 0 HD2 PRO B 23 -8.472 -8.538 7.002 1.00 24.21 H new ATOM 0 HD3 PRO B 23 -8.151 -9.957 6.025 1.00 24.21 H new ATOM 2201 N GLN B 24 -6.353 -12.033 10.677 1.00 52.23 N ATOM 2202 CA GLN B 24 -6.095 -12.019 12.110 1.00 71.42 C ATOM 2203 C GLN B 24 -5.122 -10.920 12.543 1.00 55.04 C ATOM 2204 O GLN B 24 -4.028 -10.769 11.977 1.00 35.22 O ATOM 2205 CB GLN B 24 -5.639 -13.375 12.618 1.00 53.33 C ATOM 2206 CG GLN B 24 -6.665 -14.475 12.445 1.00 32.33 C ATOM 2207 CD GLN B 24 -7.991 -14.156 13.117 1.00 63.22 C ATOM 2208 OE1 GLN B 24 -8.892 -13.586 12.505 1.00 13.22 O ATOM 2209 NE2 GLN B 24 -8.111 -14.498 14.370 1.00 34.10 N ATOM 0 H GLN B 24 -6.184 -12.934 10.229 1.00 52.23 H new ATOM 0 HA GLN B 24 -7.054 -11.786 12.573 1.00 71.42 H new ATOM 0 HB2 GLN B 24 -4.726 -13.659 12.095 1.00 53.33 H new ATOM 0 HB3 GLN B 24 -5.388 -13.290 13.675 1.00 53.33 H new ATOM 0 HG2 GLN B 24 -6.833 -14.644 11.381 1.00 32.33 H new ATOM 0 HG3 GLN B 24 -6.269 -15.403 12.857 1.00 32.33 H new ATOM 0 HE21 GLN B 24 -7.342 -14.970 14.846 1.00 34.10 H new ATOM 0 HE22 GLN B 24 -8.974 -14.294 14.874 1.00 34.10 H new ATOM 2218 N PRO B 25 -5.537 -10.143 13.559 1.00 4.20 N ATOM 2219 CA PRO B 25 -4.774 -9.011 14.075 1.00 41.43 C ATOM 2220 C PRO B 25 -3.417 -9.375 14.603 1.00 55.02 C ATOM 2221 O PRO B 25 -3.257 -10.352 15.346 1.00 43.41 O ATOM 2222 CB PRO B 25 -5.606 -8.461 15.236 1.00 53.51 C ATOM 2223 CG PRO B 25 -6.864 -9.248 15.292 1.00 34.23 C ATOM 2224 CD PRO B 25 -6.810 -10.329 14.260 1.00 21.43 C ATOM 0 HA PRO B 25 -4.600 -8.304 13.263 1.00 41.43 H new ATOM 0 HB2 PRO B 25 -5.058 -8.545 16.175 1.00 53.51 H new ATOM 0 HB3 PRO B 25 -5.821 -7.403 15.087 1.00 53.51 H new ATOM 0 HG2 PRO B 25 -6.993 -9.681 16.284 1.00 34.23 H new ATOM 0 HG3 PRO B 25 -7.722 -8.600 15.113 1.00 34.23 H new ATOM 0 HD2 PRO B 25 -6.862 -11.315 14.722 1.00 21.43 H new ATOM 0 HD3 PRO B 25 -7.651 -10.255 13.571 1.00 21.43 H new ATOM 2232 N LEU B 26 -2.463 -8.583 14.241 1.00 32.23 N ATOM 2233 CA LEU B 26 -1.145 -8.693 14.755 1.00 53.11 C ATOM 2234 C LEU B 26 -0.879 -7.437 15.573 1.00 53.32 C ATOM 2235 O LEU B 26 -1.072 -6.320 15.089 1.00 73.11 O ATOM 2236 CB LEU B 26 -0.074 -9.037 13.642 1.00 11.53 C ATOM 2237 CG LEU B 26 0.222 -8.054 12.468 1.00 23.12 C ATOM 2238 CD1 LEU B 26 -1.010 -7.614 11.700 1.00 21.01 C ATOM 2239 CD2 LEU B 26 1.053 -6.891 12.909 1.00 43.13 C ATOM 0 H LEU B 26 -2.584 -7.828 13.566 1.00 32.23 H new ATOM 0 HA LEU B 26 -1.048 -9.553 15.418 1.00 53.11 H new ATOM 0 HB2 LEU B 26 0.872 -9.212 14.155 1.00 11.53 H new ATOM 0 HB3 LEU B 26 -0.374 -9.984 13.195 1.00 11.53 H new ATOM 0 HG LEU B 26 0.811 -8.630 11.754 1.00 23.12 H new ATOM 0 HD11 LEU B 26 -0.717 -6.932 10.902 1.00 21.01 H new ATOM 0 HD12 LEU B 26 -1.502 -8.487 11.270 1.00 21.01 H new ATOM 0 HD13 LEU B 26 -1.698 -7.106 12.376 1.00 21.01 H new ATOM 0 HD21 LEU B 26 1.236 -6.232 12.060 1.00 43.13 H new ATOM 0 HD22 LEU B 26 0.525 -6.342 13.689 1.00 43.13 H new ATOM 0 HD23 LEU B 26 2.005 -7.251 13.300 1.00 43.13 H new ATOM 2251 N SER B 27 -0.485 -7.627 16.807 1.00 33.12 N ATOM 2252 CA SER B 27 -0.429 -6.560 17.784 1.00 2.52 C ATOM 2253 C SER B 27 0.712 -5.558 17.533 1.00 54.14 C ATOM 2254 O SER B 27 1.541 -5.735 16.641 1.00 22.25 O ATOM 2255 CB SER B 27 -0.350 -7.172 19.198 1.00 13.04 C ATOM 2256 OG SER B 27 -0.383 -6.187 20.224 1.00 3.22 O ATOM 0 H SER B 27 -0.191 -8.534 17.169 1.00 33.12 H new ATOM 0 HA SER B 27 -1.343 -5.975 17.689 1.00 2.52 H new ATOM 0 HB2 SER B 27 -1.181 -7.864 19.337 1.00 13.04 H new ATOM 0 HB3 SER B 27 0.568 -7.753 19.287 1.00 13.04 H new ATOM 0 HG SER B 27 -0.332 -6.625 21.099 1.00 3.22 H new ATOM 2262 N ALA B 28 0.706 -4.506 18.338 1.00 72.30 N ATOM 2263 CA ALA B 28 1.685 -3.429 18.295 1.00 45.21 C ATOM 2264 C ALA B 28 3.111 -3.948 18.271 1.00 70.41 C ATOM 2265 O ALA B 28 3.913 -3.507 17.479 1.00 35.55 O ATOM 2266 CB ALA B 28 1.514 -2.538 19.483 1.00 25.55 C ATOM 0 H ALA B 28 -0.001 -4.374 19.061 1.00 72.30 H new ATOM 0 HA ALA B 28 1.511 -2.875 17.373 1.00 45.21 H new ATOM 0 HB1 ALA B 28 2.250 -1.735 19.444 1.00 25.55 H new ATOM 0 HB2 ALA B 28 0.511 -2.112 19.477 1.00 25.55 H new ATOM 0 HB3 ALA B 28 1.657 -3.117 20.395 1.00 25.55 H new ATOM 2272 N GLU B 29 3.405 -4.895 19.127 1.00 12.32 N ATOM 2273 CA GLU B 29 4.735 -5.469 19.208 1.00 2.24 C ATOM 2274 C GLU B 29 5.083 -6.275 17.973 1.00 54.24 C ATOM 2275 O GLU B 29 6.240 -6.287 17.541 1.00 60.32 O ATOM 2276 CB GLU B 29 4.877 -6.230 20.493 1.00 72.33 C ATOM 2277 CG GLU B 29 4.964 -5.291 21.676 1.00 43.20 C ATOM 2278 CD GLU B 29 4.531 -5.893 22.956 1.00 53.32 C ATOM 2279 OE1 GLU B 29 5.268 -6.712 23.516 1.00 1.31 O ATOM 2280 OE2 GLU B 29 3.445 -5.537 23.440 1.00 33.42 O ATOM 0 H GLU B 29 2.736 -5.292 19.787 1.00 12.32 H new ATOM 0 HA GLU B 29 5.473 -4.667 19.226 1.00 2.24 H new ATOM 0 HB2 GLU B 29 4.026 -6.900 20.618 1.00 72.33 H new ATOM 0 HB3 GLU B 29 5.770 -6.853 20.453 1.00 72.33 H new ATOM 0 HG2 GLU B 29 5.993 -4.946 21.778 1.00 43.20 H new ATOM 0 HG3 GLU B 29 4.352 -4.412 21.475 1.00 43.20 H new ATOM 2287 N GLU B 30 4.083 -6.907 17.382 1.00 60.02 N ATOM 2288 CA GLU B 30 4.255 -7.583 16.111 1.00 2.33 C ATOM 2289 C GLU B 30 4.556 -6.568 15.040 1.00 54.24 C ATOM 2290 O GLU B 30 5.422 -6.782 14.196 1.00 34.35 O ATOM 2291 CB GLU B 30 3.013 -8.399 15.717 1.00 21.41 C ATOM 2292 CG GLU B 30 2.855 -9.735 16.419 1.00 15.01 C ATOM 2293 CD GLU B 30 2.753 -9.659 17.931 1.00 24.42 C ATOM 2294 OE1 GLU B 30 3.788 -9.706 18.618 1.00 12.54 O ATOM 2295 OE2 GLU B 30 1.627 -9.572 18.459 1.00 43.23 O ATOM 0 H GLU B 30 3.140 -6.965 17.766 1.00 60.02 H new ATOM 0 HA GLU B 30 5.086 -8.280 16.215 1.00 2.33 H new ATOM 0 HB2 GLU B 30 2.127 -7.797 15.917 1.00 21.41 H new ATOM 0 HB3 GLU B 30 3.043 -8.575 14.642 1.00 21.41 H new ATOM 0 HG2 GLU B 30 1.962 -10.227 16.034 1.00 15.01 H new ATOM 0 HG3 GLU B 30 3.704 -10.367 16.159 1.00 15.01 H new ATOM 2302 N LYS B 31 3.872 -5.425 15.121 1.00 52.33 N ATOM 2303 CA LYS B 31 4.062 -4.361 14.171 1.00 74.01 C ATOM 2304 C LYS B 31 5.444 -3.775 14.319 1.00 65.21 C ATOM 2305 O LYS B 31 6.065 -3.430 13.343 1.00 30.14 O ATOM 2306 CB LYS B 31 2.972 -3.264 14.271 1.00 33.30 C ATOM 2307 CG LYS B 31 1.590 -3.731 13.830 1.00 45.22 C ATOM 2308 CD LYS B 31 0.530 -2.644 13.938 1.00 1.42 C ATOM 2309 CE LYS B 31 -0.829 -3.147 13.423 1.00 2.15 C ATOM 2310 NZ LYS B 31 -0.811 -3.425 11.959 1.00 63.33 N ATOM 0 H LYS B 31 3.181 -5.225 15.844 1.00 52.33 H new ATOM 0 HA LYS B 31 3.964 -4.793 13.175 1.00 74.01 H new ATOM 0 HB2 LYS B 31 2.916 -2.913 15.302 1.00 33.30 H new ATOM 0 HB3 LYS B 31 3.270 -2.412 13.660 1.00 33.30 H new ATOM 0 HG2 LYS B 31 1.642 -4.078 12.798 1.00 45.22 H new ATOM 0 HG3 LYS B 31 1.290 -4.584 14.438 1.00 45.22 H new ATOM 0 HD2 LYS B 31 0.435 -2.326 14.976 1.00 1.42 H new ATOM 0 HD3 LYS B 31 0.840 -1.771 13.364 1.00 1.42 H new ATOM 0 HE2 LYS B 31 -1.105 -4.055 13.960 1.00 2.15 H new ATOM 0 HE3 LYS B 31 -1.595 -2.403 13.640 1.00 2.15 H new ATOM 0 HZ1 LYS B 31 -1.763 -3.279 11.566 1.00 63.33 H new ATOM 0 HZ2 LYS B 31 -0.141 -2.781 11.492 1.00 63.33 H new ATOM 0 HZ3 LYS B 31 -0.516 -4.409 11.796 1.00 63.33 H new ATOM 2324 N LYS B 32 5.928 -3.686 15.550 1.00 55.43 N ATOM 2325 CA LYS B 32 7.249 -3.173 15.826 1.00 64.35 C ATOM 2326 C LYS B 32 8.373 -4.061 15.288 1.00 25.31 C ATOM 2327 O LYS B 32 9.362 -3.559 14.771 1.00 75.53 O ATOM 2328 CB LYS B 32 7.398 -2.957 17.309 1.00 64.21 C ATOM 2329 CG LYS B 32 6.460 -1.883 17.788 1.00 61.54 C ATOM 2330 CD LYS B 32 6.488 -1.688 19.267 1.00 75.13 C ATOM 2331 CE LYS B 32 7.858 -1.296 19.773 1.00 14.23 C ATOM 2332 NZ LYS B 32 7.886 -1.106 21.237 1.00 35.15 N ATOM 0 H LYS B 32 5.410 -3.970 16.382 1.00 55.43 H new ATOM 0 HA LYS B 32 7.347 -2.225 15.297 1.00 64.35 H new ATOM 0 HB2 LYS B 32 7.194 -3.887 17.839 1.00 64.21 H new ATOM 0 HB3 LYS B 32 8.426 -2.678 17.539 1.00 64.21 H new ATOM 0 HG2 LYS B 32 6.717 -0.943 17.300 1.00 61.54 H new ATOM 0 HG3 LYS B 32 5.445 -2.134 17.481 1.00 61.54 H new ATOM 0 HD2 LYS B 32 5.768 -0.917 19.542 1.00 75.13 H new ATOM 0 HD3 LYS B 32 6.173 -2.609 19.758 1.00 75.13 H new ATOM 0 HE2 LYS B 32 8.578 -2.066 19.496 1.00 14.23 H new ATOM 0 HE3 LYS B 32 8.173 -0.374 19.284 1.00 14.23 H new ATOM 0 HZ1 LYS B 32 8.846 -0.838 21.534 1.00 35.15 H new ATOM 0 HZ2 LYS B 32 7.219 -0.353 21.502 1.00 35.15 H new ATOM 0 HZ3 LYS B 32 7.612 -1.992 21.707 1.00 35.15 H new ATOM 2346 N GLU B 33 8.223 -5.382 15.406 1.00 33.20 N ATOM 2347 CA GLU B 33 9.265 -6.295 14.909 1.00 65.14 C ATOM 2348 C GLU B 33 9.318 -6.297 13.388 1.00 33.44 C ATOM 2349 O GLU B 33 10.390 -6.329 12.788 1.00 43.23 O ATOM 2350 CB GLU B 33 9.072 -7.716 15.420 1.00 22.13 C ATOM 2351 CG GLU B 33 9.109 -7.855 16.927 1.00 25.44 C ATOM 2352 CD GLU B 33 10.370 -7.304 17.552 1.00 71.20 C ATOM 2353 OE1 GLU B 33 11.481 -7.713 17.155 1.00 51.22 O ATOM 2354 OE2 GLU B 33 10.266 -6.485 18.488 1.00 2.33 O ATOM 0 H GLU B 33 7.415 -5.838 15.829 1.00 33.20 H new ATOM 0 HA GLU B 33 10.213 -5.922 15.296 1.00 65.14 H new ATOM 0 HB2 GLU B 33 8.115 -8.092 15.057 1.00 22.13 H new ATOM 0 HB3 GLU B 33 9.847 -8.351 14.991 1.00 22.13 H new ATOM 0 HG2 GLU B 33 8.247 -7.341 17.353 1.00 25.44 H new ATOM 0 HG3 GLU B 33 9.013 -8.909 17.189 1.00 25.44 H new ATOM 2361 N ILE B 34 8.157 -6.258 12.776 1.00 63.21 N ATOM 2362 CA ILE B 34 8.066 -6.213 11.326 1.00 63.11 C ATOM 2363 C ILE B 34 8.534 -4.849 10.805 1.00 31.23 C ATOM 2364 O ILE B 34 9.140 -4.753 9.743 1.00 10.32 O ATOM 2365 CB ILE B 34 6.684 -6.661 10.761 1.00 61.22 C ATOM 2366 CG1 ILE B 34 5.544 -5.785 11.287 1.00 14.24 C ATOM 2367 CG2 ILE B 34 6.442 -8.136 11.094 1.00 30.53 C ATOM 2368 CD1 ILE B 34 4.152 -6.285 10.930 1.00 40.03 C ATOM 0 H ILE B 34 7.257 -6.256 13.257 1.00 63.21 H new ATOM 0 HA ILE B 34 8.750 -6.967 10.936 1.00 63.11 H new ATOM 0 HB ILE B 34 6.703 -6.540 9.678 1.00 61.22 H new ATOM 0 HG12 ILE B 34 5.625 -5.717 12.372 1.00 14.24 H new ATOM 0 HG13 ILE B 34 5.666 -4.776 10.894 1.00 14.24 H new ATOM 0 HG21 ILE B 34 5.475 -8.445 10.697 1.00 30.53 H new ATOM 0 HG22 ILE B 34 7.229 -8.744 10.647 1.00 30.53 H new ATOM 0 HG23 ILE B 34 6.450 -8.271 12.176 1.00 30.53 H new ATOM 0 HD11 ILE B 34 3.405 -5.606 11.341 1.00 40.03 H new ATOM 0 HD12 ILE B 34 4.047 -6.326 9.846 1.00 40.03 H new ATOM 0 HD13 ILE B 34 4.005 -7.281 11.347 1.00 40.03 H new ATOM 2380 N ASP B 35 8.275 -3.808 11.609 1.00 44.30 N ATOM 2381 CA ASP B 35 8.690 -2.410 11.344 1.00 42.31 C ATOM 2382 C ASP B 35 10.199 -2.350 11.154 1.00 11.41 C ATOM 2383 O ASP B 35 10.697 -1.722 10.209 1.00 52.54 O ATOM 2384 CB ASP B 35 8.276 -1.552 12.565 1.00 25.32 C ATOM 2385 CG ASP B 35 8.742 -0.110 12.570 1.00 45.24 C ATOM 2386 OD1 ASP B 35 8.021 0.757 12.053 1.00 61.42 O ATOM 2387 OD2 ASP B 35 9.789 0.179 13.178 1.00 72.40 O ATOM 0 H ASP B 35 7.760 -3.910 12.483 1.00 44.30 H new ATOM 0 HA ASP B 35 8.213 -2.034 10.439 1.00 42.31 H new ATOM 0 HB2 ASP B 35 7.188 -1.559 12.633 1.00 25.32 H new ATOM 0 HB3 ASP B 35 8.655 -2.036 13.465 1.00 25.32 H new ATOM 2392 N LYS B 36 10.904 -3.074 12.017 1.00 61.42 N ATOM 2393 CA LYS B 36 12.366 -3.155 12.009 1.00 34.23 C ATOM 2394 C LYS B 36 12.902 -3.653 10.676 1.00 64.22 C ATOM 2395 O LYS B 36 13.967 -3.238 10.228 1.00 61.03 O ATOM 2396 CB LYS B 36 12.851 -4.109 13.098 1.00 5.02 C ATOM 2397 CG LYS B 36 12.499 -3.708 14.508 1.00 13.44 C ATOM 2398 CD LYS B 36 12.966 -4.763 15.482 1.00 25.44 C ATOM 2399 CE LYS B 36 12.638 -4.389 16.903 1.00 33.42 C ATOM 2400 NZ LYS B 36 13.076 -5.431 17.852 1.00 31.20 N ATOM 0 H LYS B 36 10.472 -3.631 12.754 1.00 61.42 H new ATOM 0 HA LYS B 36 12.736 -2.145 12.187 1.00 34.23 H new ATOM 0 HB2 LYS B 36 12.435 -5.098 12.904 1.00 5.02 H new ATOM 0 HB3 LYS B 36 13.935 -4.199 13.023 1.00 5.02 H new ATOM 0 HG2 LYS B 36 12.962 -2.751 14.748 1.00 13.44 H new ATOM 0 HG3 LYS B 36 11.421 -3.572 14.597 1.00 13.44 H new ATOM 0 HD2 LYS B 36 12.497 -5.717 15.239 1.00 25.44 H new ATOM 0 HD3 LYS B 36 14.042 -4.902 15.381 1.00 25.44 H new ATOM 0 HE2 LYS B 36 13.120 -3.443 17.152 1.00 33.42 H new ATOM 0 HE3 LYS B 36 11.563 -4.235 17.001 1.00 33.42 H new ATOM 0 HZ1 LYS B 36 12.675 -5.236 18.791 1.00 31.20 H new ATOM 0 HZ2 LYS B 36 12.748 -6.361 17.522 1.00 31.20 H new ATOM 0 HZ3 LYS B 36 14.114 -5.431 17.912 1.00 31.20 H new ATOM 2414 N ARG B 37 12.148 -4.522 10.047 1.00 32.01 N ATOM 2415 CA ARG B 37 12.554 -5.215 8.847 1.00 64.44 C ATOM 2416 C ARG B 37 11.895 -4.609 7.608 1.00 52.34 C ATOM 2417 O ARG B 37 12.068 -5.104 6.506 1.00 63.22 O ATOM 2418 CB ARG B 37 12.080 -6.655 8.987 1.00 31.45 C ATOM 2419 CG ARG B 37 12.608 -7.367 10.216 1.00 71.43 C ATOM 2420 CD ARG B 37 11.863 -8.664 10.453 1.00 73.11 C ATOM 2421 NE ARG B 37 12.385 -9.393 11.608 1.00 23.21 N ATOM 2422 CZ ARG B 37 11.644 -10.021 12.536 1.00 31.43 C ATOM 2423 NH1 ARG B 37 10.308 -9.951 12.509 1.00 71.11 N ATOM 2424 NH2 ARG B 37 12.243 -10.710 13.495 1.00 24.31 N ATOM 0 H ARG B 37 11.211 -4.773 10.363 1.00 32.01 H new ATOM 0 HA ARG B 37 13.635 -5.142 8.728 1.00 64.44 H new ATOM 0 HB2 ARG B 37 10.990 -6.666 9.015 1.00 31.45 H new ATOM 0 HB3 ARG B 37 12.382 -7.213 8.100 1.00 31.45 H new ATOM 0 HG2 ARG B 37 13.672 -7.571 10.094 1.00 71.43 H new ATOM 0 HG3 ARG B 37 12.506 -6.720 11.087 1.00 71.43 H new ATOM 0 HD2 ARG B 37 10.805 -8.451 10.607 1.00 73.11 H new ATOM 0 HD3 ARG B 37 11.936 -9.292 9.565 1.00 73.11 H new ATOM 0 HE ARG B 37 13.398 -9.428 11.719 1.00 23.21 H new ATOM 0 HH11 ARG B 37 9.840 -9.416 11.778 1.00 71.11 H new ATOM 0 HH12 ARG B 37 9.758 -10.433 13.220 1.00 71.11 H new ATOM 0 HH21 ARG B 37 13.261 -10.762 13.526 1.00 24.31 H new ATOM 0 HH22 ARG B 37 11.686 -11.189 14.203 1.00 24.31 H new ATOM 2438 N SER B 38 11.133 -3.563 7.790 1.00 51.31 N ATOM 2439 CA SER B 38 10.399 -2.995 6.682 1.00 3.34 C ATOM 2440 C SER B 38 10.991 -1.694 6.127 1.00 43.10 C ATOM 2441 O SER B 38 11.795 -1.004 6.786 1.00 51.34 O ATOM 2442 CB SER B 38 8.933 -2.824 7.058 1.00 14.04 C ATOM 2443 OG SER B 38 8.776 -2.009 8.203 1.00 62.23 O ATOM 0 H SER B 38 11.003 -3.089 8.683 1.00 51.31 H new ATOM 0 HA SER B 38 10.485 -3.709 5.863 1.00 3.34 H new ATOM 0 HB2 SER B 38 8.392 -2.383 6.221 1.00 14.04 H new ATOM 0 HB3 SER B 38 8.489 -3.802 7.244 1.00 14.04 H new ATOM 0 HG SER B 38 9.631 -1.943 8.677 1.00 62.23 H new ATOM 2449 N VAL B 39 10.558 -1.360 4.924 1.00 30.25 N ATOM 2450 CA VAL B 39 10.982 -0.179 4.203 1.00 2.55 C ATOM 2451 C VAL B 39 9.781 0.565 3.609 1.00 40.20 C ATOM 2452 O VAL B 39 8.678 0.025 3.509 1.00 23.13 O ATOM 2453 CB VAL B 39 12.012 -0.495 3.063 1.00 31.43 C ATOM 2454 CG1 VAL B 39 13.349 -0.883 3.626 1.00 10.44 C ATOM 2455 CG2 VAL B 39 11.516 -1.612 2.184 1.00 10.44 C ATOM 0 H VAL B 39 9.881 -1.922 4.409 1.00 30.25 H new ATOM 0 HA VAL B 39 11.482 0.454 4.936 1.00 2.55 H new ATOM 0 HB VAL B 39 12.121 0.415 2.473 1.00 31.43 H new ATOM 0 HG11 VAL B 39 14.040 -1.095 2.810 1.00 10.44 H new ATOM 0 HG12 VAL B 39 13.741 -0.064 4.229 1.00 10.44 H new ATOM 0 HG13 VAL B 39 13.238 -1.771 4.248 1.00 10.44 H new ATOM 0 HG21 VAL B 39 12.248 -1.812 1.402 1.00 10.44 H new ATOM 0 HG22 VAL B 39 11.372 -2.510 2.784 1.00 10.44 H new ATOM 0 HG23 VAL B 39 10.568 -1.324 1.729 1.00 10.44 H new ATOM 2465 N TYR B 40 10.018 1.781 3.242 1.00 32.05 N ATOM 2466 CA TYR B 40 9.057 2.670 2.617 1.00 22.33 C ATOM 2467 C TYR B 40 9.528 3.013 1.209 1.00 4.20 C ATOM 2468 O TYR B 40 10.679 3.358 1.012 1.00 33.15 O ATOM 2469 CB TYR B 40 8.905 3.960 3.471 1.00 74.11 C ATOM 2470 CG TYR B 40 8.303 5.168 2.745 1.00 45.42 C ATOM 2471 CD1 TYR B 40 6.950 5.304 2.533 1.00 54.24 C ATOM 2472 CD2 TYR B 40 9.126 6.161 2.266 1.00 50.13 C ATOM 2473 CE1 TYR B 40 6.438 6.403 1.864 1.00 21.32 C ATOM 2474 CE2 TYR B 40 8.645 7.260 1.597 1.00 40.33 C ATOM 2475 CZ TYR B 40 7.293 7.378 1.397 1.00 43.12 C ATOM 2476 OH TYR B 40 6.788 8.471 0.734 1.00 4.34 O ATOM 0 H TYR B 40 10.931 2.217 3.371 1.00 32.05 H new ATOM 0 HA TYR B 40 8.086 2.179 2.555 1.00 22.33 H new ATOM 0 HB2 TYR B 40 8.282 3.731 4.335 1.00 74.11 H new ATOM 0 HB3 TYR B 40 9.887 4.240 3.852 1.00 74.11 H new ATOM 0 HD1 TYR B 40 6.276 4.541 2.894 1.00 54.24 H new ATOM 0 HD2 TYR B 40 10.191 6.073 2.422 1.00 50.13 H new ATOM 0 HE1 TYR B 40 5.373 6.496 1.709 1.00 21.32 H new ATOM 0 HE2 TYR B 40 9.321 8.020 1.234 1.00 40.33 H new ATOM 0 HH TYR B 40 7.523 9.063 0.472 1.00 4.34 H new ATOM 2486 N VAL B 41 8.657 2.877 0.256 1.00 41.11 N ATOM 2487 CA VAL B 41 8.897 3.204 -1.137 1.00 0.14 C ATOM 2488 C VAL B 41 8.085 4.438 -1.505 1.00 34.02 C ATOM 2489 O VAL B 41 6.867 4.428 -1.381 1.00 3.15 O ATOM 2490 CB VAL B 41 8.379 2.052 -2.024 1.00 13.33 C ATOM 2491 CG1 VAL B 41 8.591 2.346 -3.511 1.00 23.40 C ATOM 2492 CG2 VAL B 41 9.040 0.755 -1.646 1.00 32.24 C ATOM 0 H VAL B 41 7.716 2.521 0.424 1.00 41.11 H new ATOM 0 HA VAL B 41 9.964 3.370 -1.285 1.00 0.14 H new ATOM 0 HB VAL B 41 7.306 1.963 -1.853 1.00 13.33 H new ATOM 0 HG11 VAL B 41 8.214 1.513 -4.104 1.00 23.40 H new ATOM 0 HG12 VAL B 41 8.055 3.256 -3.782 1.00 23.40 H new ATOM 0 HG13 VAL B 41 9.655 2.479 -3.707 1.00 23.40 H new ATOM 0 HG21 VAL B 41 8.662 -0.045 -2.282 1.00 32.24 H new ATOM 0 HG22 VAL B 41 10.118 0.844 -1.778 1.00 32.24 H new ATOM 0 HG23 VAL B 41 8.820 0.524 -0.604 1.00 32.24 H new ATOM 2502 N GLY B 42 8.736 5.483 -1.929 1.00 41.12 N ATOM 2503 CA GLY B 42 8.027 6.653 -2.334 1.00 5.11 C ATOM 2504 C GLY B 42 8.264 6.998 -3.788 1.00 40.11 C ATOM 2505 O GLY B 42 9.152 6.427 -4.438 1.00 11.32 O ATOM 0 H GLY B 42 9.752 5.545 -2.002 1.00 41.12 H new ATOM 0 HA2 GLY B 42 6.960 6.503 -2.168 1.00 5.11 H new ATOM 0 HA3 GLY B 42 8.332 7.493 -1.710 1.00 5.11 H new ATOM 2509 N ASN B 43 7.464 7.937 -4.270 1.00 41.12 N ATOM 2510 CA ASN B 43 7.478 8.486 -5.653 1.00 23.31 C ATOM 2511 C ASN B 43 7.073 7.436 -6.722 1.00 1.45 C ATOM 2512 O ASN B 43 7.243 7.658 -7.918 1.00 2.12 O ATOM 2513 CB ASN B 43 8.835 9.129 -6.028 1.00 41.23 C ATOM 2514 CG ASN B 43 8.693 10.067 -7.234 1.00 20.53 C ATOM 2515 OD1 ASN B 43 7.672 10.728 -7.386 1.00 75.23 O ATOM 2516 ND2 ASN B 43 9.656 10.080 -8.119 1.00 45.55 N ATOM 0 H ASN B 43 6.744 8.371 -3.692 1.00 41.12 H new ATOM 0 HA ASN B 43 6.722 9.271 -5.651 1.00 23.31 H new ATOM 0 HB2 ASN B 43 9.224 9.686 -5.175 1.00 41.23 H new ATOM 0 HB3 ASN B 43 9.560 8.347 -6.256 1.00 41.23 H new ATOM 0 HD21 ASN B 43 9.568 10.650 -8.960 1.00 45.55 H new ATOM 0 HD22 ASN B 43 10.495 9.520 -7.968 1.00 45.55 H new ATOM 2523 N VAL B 44 6.536 6.316 -6.293 1.00 53.40 N ATOM 2524 CA VAL B 44 6.029 5.318 -7.231 1.00 41.10 C ATOM 2525 C VAL B 44 4.750 5.854 -7.849 1.00 63.20 C ATOM 2526 O VAL B 44 3.793 6.156 -7.158 1.00 3.32 O ATOM 2527 CB VAL B 44 5.846 3.903 -6.561 1.00 12.40 C ATOM 2528 CG1 VAL B 44 4.942 3.938 -5.347 1.00 33.34 C ATOM 2529 CG2 VAL B 44 5.352 2.885 -7.565 1.00 0.13 C ATOM 0 H VAL B 44 6.436 6.067 -5.309 1.00 53.40 H new ATOM 0 HA VAL B 44 6.761 5.152 -8.021 1.00 41.10 H new ATOM 0 HB VAL B 44 6.833 3.600 -6.210 1.00 12.40 H new ATOM 0 HG11 VAL B 44 4.855 2.935 -4.929 1.00 33.34 H new ATOM 0 HG12 VAL B 44 5.365 4.607 -4.598 1.00 33.34 H new ATOM 0 HG13 VAL B 44 3.955 4.297 -5.639 1.00 33.34 H new ATOM 0 HG21 VAL B 44 5.235 1.918 -7.075 1.00 0.13 H new ATOM 0 HG22 VAL B 44 4.391 3.207 -7.967 1.00 0.13 H new ATOM 0 HG23 VAL B 44 6.073 2.795 -8.377 1.00 0.13 H new ATOM 2539 N ASP B 45 4.764 6.047 -9.147 1.00 50.41 N ATOM 2540 CA ASP B 45 3.642 6.680 -9.792 1.00 45.02 C ATOM 2541 C ASP B 45 2.489 5.733 -9.950 1.00 70.12 C ATOM 2542 O ASP B 45 2.654 4.494 -9.856 1.00 71.23 O ATOM 2543 CB ASP B 45 4.008 7.334 -11.133 1.00 63.10 C ATOM 2544 CG ASP B 45 4.212 6.360 -12.260 1.00 73.13 C ATOM 2545 OD1 ASP B 45 5.309 5.749 -12.365 1.00 1.42 O ATOM 2546 OD2 ASP B 45 3.289 6.215 -13.086 1.00 24.42 O ATOM 0 H ASP B 45 5.528 5.779 -9.768 1.00 50.41 H new ATOM 0 HA ASP B 45 3.331 7.487 -9.128 1.00 45.02 H new ATOM 0 HB2 ASP B 45 3.219 8.033 -11.411 1.00 63.10 H new ATOM 0 HB3 ASP B 45 4.919 7.917 -11.003 1.00 63.10 H new ATOM 2551 N TYR B 46 1.326 6.307 -10.179 1.00 31.15 N ATOM 2552 CA TYR B 46 0.117 5.549 -10.322 1.00 22.53 C ATOM 2553 C TYR B 46 0.221 4.782 -11.620 1.00 72.42 C ATOM 2554 O TYR B 46 0.022 5.344 -12.709 1.00 0.43 O ATOM 2555 CB TYR B 46 -1.109 6.472 -10.361 1.00 51.54 C ATOM 2556 CG TYR B 46 -2.411 5.808 -9.936 1.00 4.22 C ATOM 2557 CD1 TYR B 46 -3.082 4.852 -10.726 1.00 43.13 C ATOM 2558 CD2 TYR B 46 -2.968 6.142 -8.714 1.00 3.14 C ATOM 2559 CE1 TYR B 46 -4.257 4.278 -10.282 1.00 35.34 C ATOM 2560 CE2 TYR B 46 -4.131 5.572 -8.271 1.00 31.12 C ATOM 2561 CZ TYR B 46 -4.778 4.635 -9.064 1.00 74.35 C ATOM 2562 OH TYR B 46 -5.936 4.040 -8.639 1.00 62.52 O ATOM 0 H TYR B 46 1.200 7.315 -10.270 1.00 31.15 H new ATOM 0 HA TYR B 46 -0.005 4.876 -9.473 1.00 22.53 H new ATOM 0 HB2 TYR B 46 -0.924 7.329 -9.713 1.00 51.54 H new ATOM 0 HB3 TYR B 46 -1.226 6.858 -11.374 1.00 51.54 H new ATOM 0 HD1 TYR B 46 -2.674 4.567 -11.685 1.00 43.13 H new ATOM 0 HD2 TYR B 46 -2.471 6.873 -8.093 1.00 3.14 H new ATOM 0 HE1 TYR B 46 -4.766 3.548 -10.894 1.00 35.34 H new ATOM 0 HE2 TYR B 46 -4.542 5.849 -7.312 1.00 31.12 H new ATOM 0 HH TYR B 46 -6.599 4.730 -8.426 1.00 62.52 H new ATOM 2572 N GLY B 47 0.592 3.542 -11.511 1.00 52.24 N ATOM 2573 CA GLY B 47 0.779 2.742 -12.666 1.00 61.21 C ATOM 2574 C GLY B 47 1.657 1.557 -12.394 1.00 4.11 C ATOM 2575 O GLY B 47 1.526 0.532 -13.064 1.00 60.24 O ATOM 0 H GLY B 47 0.770 3.068 -10.626 1.00 52.24 H new ATOM 0 HA2 GLY B 47 -0.190 2.399 -13.030 1.00 61.21 H new ATOM 0 HA3 GLY B 47 1.221 3.347 -13.458 1.00 61.21 H new ATOM 2579 N SER B 48 2.543 1.654 -11.393 1.00 14.41 N ATOM 2580 CA SER B 48 3.393 0.529 -11.095 1.00 41.54 C ATOM 2581 C SER B 48 2.556 -0.496 -10.329 1.00 71.53 C ATOM 2582 O SER B 48 1.611 -0.126 -9.615 1.00 63.10 O ATOM 2583 CB SER B 48 4.628 0.962 -10.300 1.00 2.31 C ATOM 2584 OG SER B 48 5.541 -0.117 -10.132 1.00 72.23 O ATOM 0 H SER B 48 2.677 2.475 -10.803 1.00 14.41 H new ATOM 0 HA SER B 48 3.768 0.084 -12.017 1.00 41.54 H new ATOM 0 HB2 SER B 48 5.125 1.784 -10.815 1.00 2.31 H new ATOM 0 HB3 SER B 48 4.321 1.337 -9.323 1.00 2.31 H new ATOM 0 HG SER B 48 6.141 0.076 -9.382 1.00 72.23 H new ATOM 2590 N THR B 49 2.864 -1.756 -10.480 1.00 1.44 N ATOM 2591 CA THR B 49 2.039 -2.782 -9.902 1.00 2.41 C ATOM 2592 C THR B 49 2.637 -3.288 -8.597 1.00 63.44 C ATOM 2593 O THR B 49 3.801 -3.003 -8.296 1.00 74.12 O ATOM 2594 CB THR B 49 1.888 -3.969 -10.877 1.00 2.01 C ATOM 2595 OG1 THR B 49 3.118 -4.698 -10.962 1.00 45.43 O ATOM 2596 CG2 THR B 49 1.537 -3.471 -12.270 1.00 3.04 C ATOM 0 H THR B 49 3.676 -2.096 -10.996 1.00 1.44 H new ATOM 0 HA THR B 49 1.060 -2.345 -9.703 1.00 2.41 H new ATOM 0 HB THR B 49 1.093 -4.613 -10.500 1.00 2.01 H new ATOM 0 HG1 THR B 49 3.672 -4.323 -11.678 1.00 45.43 H new ATOM 0 HG21 THR B 49 1.434 -4.321 -12.945 1.00 3.04 H new ATOM 0 HG22 THR B 49 0.597 -2.921 -12.233 1.00 3.04 H new ATOM 0 HG23 THR B 49 2.328 -2.814 -12.632 1.00 3.04 H new ATOM 2604 N ALA B 50 1.857 -4.050 -7.829 1.00 31.50 N ATOM 2605 CA ALA B 50 2.331 -4.645 -6.591 1.00 53.21 C ATOM 2606 C ALA B 50 3.315 -5.756 -6.918 1.00 23.33 C ATOM 2607 O ALA B 50 4.328 -5.902 -6.264 1.00 55.32 O ATOM 2608 CB ALA B 50 1.139 -5.193 -5.807 1.00 74.15 C ATOM 0 H ALA B 50 0.886 -4.268 -8.051 1.00 31.50 H new ATOM 0 HA ALA B 50 2.836 -3.896 -5.981 1.00 53.21 H new ATOM 0 HB1 ALA B 50 1.490 -5.641 -4.877 1.00 74.15 H new ATOM 0 HB2 ALA B 50 0.448 -4.381 -5.581 1.00 74.15 H new ATOM 0 HB3 ALA B 50 0.628 -5.949 -6.403 1.00 74.15 H new ATOM 2614 N GLN B 51 2.987 -6.550 -7.939 1.00 62.22 N ATOM 2615 CA GLN B 51 3.881 -7.606 -8.432 1.00 35.34 C ATOM 2616 C GLN B 51 5.240 -7.028 -8.852 1.00 42.10 C ATOM 2617 O GLN B 51 6.279 -7.595 -8.520 1.00 2.04 O ATOM 2618 CB GLN B 51 3.217 -8.324 -9.604 1.00 72.43 C ATOM 2619 CG GLN B 51 4.000 -9.494 -10.162 1.00 64.52 C ATOM 2620 CD GLN B 51 3.296 -10.138 -11.336 1.00 41.24 C ATOM 2621 OE1 GLN B 51 3.532 -9.783 -12.500 1.00 51.34 O ATOM 2622 NE2 GLN B 51 2.397 -11.035 -11.055 1.00 23.21 N ATOM 0 H GLN B 51 2.104 -6.483 -8.445 1.00 62.22 H new ATOM 0 HA GLN B 51 4.062 -8.319 -7.627 1.00 35.34 H new ATOM 0 HB2 GLN B 51 2.238 -8.680 -9.285 1.00 72.43 H new ATOM 0 HB3 GLN B 51 3.049 -7.603 -10.404 1.00 72.43 H new ATOM 0 HG2 GLN B 51 4.988 -9.154 -10.474 1.00 64.52 H new ATOM 0 HG3 GLN B 51 4.151 -10.236 -9.378 1.00 64.52 H new ATOM 0 HE21 GLN B 51 2.229 -11.303 -10.085 1.00 23.21 H new ATOM 0 HE22 GLN B 51 1.860 -11.471 -11.805 1.00 23.21 H new ATOM 2631 N ASP B 52 5.214 -5.898 -9.572 1.00 24.50 N ATOM 2632 CA ASP B 52 6.464 -5.178 -9.940 1.00 21.53 C ATOM 2633 C ASP B 52 7.256 -4.849 -8.714 1.00 64.22 C ATOM 2634 O ASP B 52 8.466 -5.061 -8.663 1.00 44.12 O ATOM 2635 CB ASP B 52 6.194 -3.867 -10.695 1.00 41.11 C ATOM 2636 CG ASP B 52 6.086 -4.001 -12.175 1.00 41.12 C ATOM 2637 OD1 ASP B 52 7.113 -3.989 -12.870 1.00 24.44 O ATOM 2638 OD2 ASP B 52 4.975 -4.083 -12.682 1.00 32.10 O ATOM 0 H ASP B 52 4.359 -5.459 -9.912 1.00 24.50 H new ATOM 0 HA ASP B 52 7.018 -5.850 -10.596 1.00 21.53 H new ATOM 0 HB2 ASP B 52 5.269 -3.432 -10.317 1.00 41.11 H new ATOM 0 HB3 ASP B 52 6.994 -3.163 -10.467 1.00 41.11 H new ATOM 2643 N LEU B 53 6.562 -4.339 -7.723 1.00 1.10 N ATOM 2644 CA LEU B 53 7.167 -3.964 -6.473 1.00 11.30 C ATOM 2645 C LEU B 53 7.734 -5.153 -5.746 1.00 53.43 C ATOM 2646 O LEU B 53 8.890 -5.106 -5.294 1.00 73.43 O ATOM 2647 CB LEU B 53 6.141 -3.256 -5.602 1.00 4.22 C ATOM 2648 CG LEU B 53 5.722 -1.881 -6.087 1.00 32.43 C ATOM 2649 CD1 LEU B 53 4.481 -1.421 -5.346 1.00 35.54 C ATOM 2650 CD2 LEU B 53 6.862 -0.914 -5.818 1.00 73.42 C ATOM 0 H LEU B 53 5.556 -4.173 -7.765 1.00 1.10 H new ATOM 0 HA LEU B 53 7.995 -3.289 -6.689 1.00 11.30 H new ATOM 0 HB2 LEU B 53 5.253 -3.885 -5.530 1.00 4.22 H new ATOM 0 HB3 LEU B 53 6.547 -3.161 -4.595 1.00 4.22 H new ATOM 0 HG LEU B 53 5.496 -1.917 -7.153 1.00 32.43 H new ATOM 0 HD11 LEU B 53 4.190 -0.433 -5.702 1.00 35.54 H new ATOM 0 HD12 LEU B 53 3.669 -2.125 -5.525 1.00 35.54 H new ATOM 0 HD13 LEU B 53 4.692 -1.374 -4.278 1.00 35.54 H new ATOM 0 HD21 LEU B 53 6.582 0.083 -6.159 1.00 73.42 H new ATOM 0 HD22 LEU B 53 7.071 -0.886 -4.749 1.00 73.42 H new ATOM 0 HD23 LEU B 53 7.753 -1.244 -6.353 1.00 73.42 H new ATOM 2662 N GLU B 54 6.956 -6.232 -5.636 1.00 44.43 N ATOM 2663 CA GLU B 54 7.417 -7.391 -4.936 1.00 73.43 C ATOM 2664 C GLU B 54 8.621 -7.992 -5.605 1.00 60.03 C ATOM 2665 O GLU B 54 9.620 -8.178 -4.969 1.00 73.10 O ATOM 2666 CB GLU B 54 6.319 -8.451 -4.875 1.00 41.53 C ATOM 2667 CG GLU B 54 6.713 -9.664 -4.041 1.00 15.25 C ATOM 2668 CD GLU B 54 5.736 -10.800 -4.084 1.00 32.22 C ATOM 2669 OE1 GLU B 54 5.893 -11.696 -4.941 1.00 72.42 O ATOM 2670 OE2 GLU B 54 4.857 -10.868 -3.236 1.00 62.01 O ATOM 0 H GLU B 54 6.016 -6.309 -6.025 1.00 44.43 H new ATOM 0 HA GLU B 54 7.687 -7.072 -3.929 1.00 73.43 H new ATOM 0 HB2 GLU B 54 5.415 -8.007 -4.458 1.00 41.53 H new ATOM 0 HB3 GLU B 54 6.077 -8.775 -5.887 1.00 41.53 H new ATOM 0 HG2 GLU B 54 7.683 -10.024 -4.384 1.00 15.25 H new ATOM 0 HG3 GLU B 54 6.838 -9.350 -3.005 1.00 15.25 H new ATOM 2677 N ALA B 55 8.540 -8.229 -6.899 1.00 33.50 N ATOM 2678 CA ALA B 55 9.649 -8.834 -7.647 1.00 4.43 C ATOM 2679 C ALA B 55 10.932 -8.030 -7.488 1.00 2.31 C ATOM 2680 O ALA B 55 12.037 -8.589 -7.273 1.00 73.24 O ATOM 2681 CB ALA B 55 9.282 -8.976 -9.118 1.00 31.24 C ATOM 0 H ALA B 55 7.719 -8.015 -7.465 1.00 33.50 H new ATOM 0 HA ALA B 55 9.829 -9.827 -7.234 1.00 4.43 H new ATOM 0 HB1 ALA B 55 10.114 -9.426 -9.659 1.00 31.24 H new ATOM 0 HB2 ALA B 55 8.401 -9.611 -9.214 1.00 31.24 H new ATOM 0 HB3 ALA B 55 9.067 -7.993 -9.536 1.00 31.24 H new ATOM 2687 N HIS B 56 10.772 -6.734 -7.509 1.00 14.54 N ATOM 2688 CA HIS B 56 11.899 -5.837 -7.450 1.00 60.21 C ATOM 2689 C HIS B 56 12.557 -5.887 -6.059 1.00 4.01 C ATOM 2690 O HIS B 56 13.776 -5.922 -5.945 1.00 32.22 O ATOM 2691 CB HIS B 56 11.481 -4.413 -7.834 1.00 65.44 C ATOM 2692 CG HIS B 56 12.630 -3.479 -8.047 1.00 71.44 C ATOM 2693 ND1 HIS B 56 13.256 -3.335 -9.263 1.00 55.21 N ATOM 2694 CD2 HIS B 56 13.260 -2.642 -7.206 1.00 11.22 C ATOM 2695 CE1 HIS B 56 14.216 -2.453 -9.158 1.00 61.01 C ATOM 2696 NE2 HIS B 56 14.241 -2.018 -7.924 1.00 73.45 N ATOM 0 H HIS B 56 9.865 -6.271 -7.567 1.00 14.54 H new ATOM 0 HA HIS B 56 12.643 -6.163 -8.177 1.00 60.21 H new ATOM 0 HB2 HIS B 56 10.885 -4.454 -8.746 1.00 65.44 H new ATOM 0 HB3 HIS B 56 10.839 -4.010 -7.051 1.00 65.44 H new ATOM 0 HD2 HIS B 56 13.034 -2.491 -6.161 1.00 11.22 H new ATOM 0 HE1 HIS B 56 14.875 -2.138 -9.953 1.00 61.01 H new ATOM 0 HE2 HIS B 56 14.890 -1.323 -7.556 1.00 73.45 H new ATOM 2705 N PHE B 57 11.746 -5.928 -5.016 1.00 35.32 N ATOM 2706 CA PHE B 57 12.263 -5.991 -3.650 1.00 34.02 C ATOM 2707 C PHE B 57 12.624 -7.410 -3.216 1.00 30.43 C ATOM 2708 O PHE B 57 13.458 -7.618 -2.346 1.00 3.32 O ATOM 2709 CB PHE B 57 11.378 -5.268 -2.653 1.00 2.02 C ATOM 2710 CG PHE B 57 11.538 -3.777 -2.711 1.00 15.34 C ATOM 2711 CD1 PHE B 57 12.556 -3.179 -2.017 1.00 14.04 C ATOM 2712 CD2 PHE B 57 10.692 -2.984 -3.450 1.00 52.44 C ATOM 2713 CE1 PHE B 57 12.733 -1.810 -2.049 1.00 1.04 C ATOM 2714 CE2 PHE B 57 10.863 -1.612 -3.490 1.00 73.34 C ATOM 2715 CZ PHE B 57 11.886 -1.030 -2.786 1.00 54.53 C ATOM 0 H PHE B 57 10.728 -5.919 -5.083 1.00 35.32 H new ATOM 0 HA PHE B 57 13.204 -5.441 -3.660 1.00 34.02 H new ATOM 0 HB2 PHE B 57 10.336 -5.525 -2.845 1.00 2.02 H new ATOM 0 HB3 PHE B 57 11.612 -5.616 -1.647 1.00 2.02 H new ATOM 0 HD1 PHE B 57 13.232 -3.788 -1.435 1.00 14.04 H new ATOM 0 HD2 PHE B 57 9.885 -3.438 -4.006 1.00 52.44 H new ATOM 0 HE1 PHE B 57 13.540 -1.356 -1.492 1.00 1.04 H new ATOM 0 HE2 PHE B 57 10.192 -1.000 -4.075 1.00 73.34 H new ATOM 0 HZ PHE B 57 12.022 0.041 -2.814 1.00 54.53 H new ATOM 2725 N SER B 58 12.012 -8.376 -3.871 1.00 50.21 N ATOM 2726 CA SER B 58 12.235 -9.797 -3.598 1.00 22.24 C ATOM 2727 C SER B 58 13.598 -10.192 -4.080 1.00 62.21 C ATOM 2728 O SER B 58 14.177 -11.177 -3.629 1.00 53.13 O ATOM 2729 CB SER B 58 11.157 -10.688 -4.221 1.00 32.44 C ATOM 2730 OG SER B 58 9.889 -10.410 -3.658 1.00 31.52 O ATOM 0 H SER B 58 11.338 -8.204 -4.617 1.00 50.21 H new ATOM 0 HA SER B 58 12.172 -9.944 -2.520 1.00 22.24 H new ATOM 0 HB2 SER B 58 11.125 -10.528 -5.299 1.00 32.44 H new ATOM 0 HB3 SER B 58 11.409 -11.737 -4.062 1.00 32.44 H new ATOM 0 HG SER B 58 9.587 -9.526 -3.953 1.00 31.52 H new ATOM 2736 N SER B 59 14.121 -9.421 -5.019 1.00 15.14 N ATOM 2737 CA SER B 59 15.452 -9.630 -5.498 1.00 13.30 C ATOM 2738 C SER B 59 16.472 -9.345 -4.367 1.00 51.31 C ATOM 2739 O SER B 59 17.615 -9.786 -4.421 1.00 4.42 O ATOM 2740 CB SER B 59 15.700 -8.723 -6.708 1.00 50.02 C ATOM 2741 OG SER B 59 14.782 -9.025 -7.775 1.00 62.30 O ATOM 0 H SER B 59 13.630 -8.643 -5.459 1.00 15.14 H new ATOM 0 HA SER B 59 15.577 -10.668 -5.808 1.00 13.30 H new ATOM 0 HB2 SER B 59 15.590 -7.679 -6.413 1.00 50.02 H new ATOM 0 HB3 SER B 59 16.725 -8.849 -7.058 1.00 50.02 H new ATOM 0 HG SER B 59 13.868 -8.821 -7.487 1.00 62.30 H new ATOM 2747 N CYS B 60 16.025 -8.629 -3.338 1.00 0.25 N ATOM 2748 CA CYS B 60 16.863 -8.280 -2.215 1.00 12.14 C ATOM 2749 C CYS B 60 16.367 -8.938 -0.906 1.00 3.12 C ATOM 2750 O CYS B 60 16.754 -8.524 0.171 1.00 0.14 O ATOM 2751 CB CYS B 60 16.886 -6.758 -2.065 1.00 54.25 C ATOM 2752 SG CYS B 60 17.490 -5.880 -3.531 1.00 44.02 S ATOM 0 H CYS B 60 15.070 -8.279 -3.268 1.00 0.25 H new ATOM 0 HA CYS B 60 17.870 -8.653 -2.404 1.00 12.14 H new ATOM 0 HB2 CYS B 60 15.878 -6.411 -1.836 1.00 54.25 H new ATOM 0 HB3 CYS B 60 17.514 -6.497 -1.214 1.00 54.25 H new ATOM 0 HG CYS B 60 17.470 -4.599 -3.309 1.00 44.02 H new ATOM 2758 N GLY B 61 15.555 -9.987 -1.008 1.00 1.45 N ATOM 2759 CA GLY B 61 15.086 -10.621 0.221 1.00 42.00 C ATOM 2760 C GLY B 61 13.715 -11.252 0.160 1.00 72.04 C ATOM 2761 O GLY B 61 13.178 -11.500 -0.923 1.00 44.13 O ATOM 0 H GLY B 61 15.222 -10.399 -1.879 1.00 1.45 H new ATOM 0 HA2 GLY B 61 15.805 -11.389 0.507 1.00 42.00 H new ATOM 0 HA3 GLY B 61 15.085 -9.873 1.014 1.00 42.00 H new ATOM 2765 N SER B 62 13.143 -11.503 1.335 1.00 71.14 N ATOM 2766 CA SER B 62 11.874 -12.195 1.465 1.00 12.13 C ATOM 2767 C SER B 62 10.786 -11.230 1.965 1.00 24.44 C ATOM 2768 O SER B 62 10.868 -10.709 3.098 1.00 62.24 O ATOM 2769 CB SER B 62 12.039 -13.334 2.475 1.00 54.52 C ATOM 2770 OG SER B 62 13.167 -14.157 2.155 1.00 23.44 O ATOM 0 H SER B 62 13.554 -11.228 2.227 1.00 71.14 H new ATOM 0 HA SER B 62 11.576 -12.587 0.493 1.00 12.13 H new ATOM 0 HB2 SER B 62 12.161 -12.920 3.476 1.00 54.52 H new ATOM 0 HB3 SER B 62 11.135 -13.943 2.490 1.00 54.52 H new ATOM 0 HG SER B 62 13.684 -14.334 2.968 1.00 23.44 H new ATOM 2776 N ILE B 63 9.798 -10.986 1.128 1.00 52.11 N ATOM 2777 CA ILE B 63 8.703 -10.083 1.447 1.00 21.43 C ATOM 2778 C ILE B 63 7.627 -10.733 2.320 1.00 42.03 C ATOM 2779 O ILE B 63 7.151 -11.834 2.046 1.00 71.45 O ATOM 2780 CB ILE B 63 8.110 -9.452 0.163 1.00 33.34 C ATOM 2781 CG1 ILE B 63 9.181 -8.557 -0.470 1.00 62.31 C ATOM 2782 CG2 ILE B 63 6.824 -8.675 0.446 1.00 0.23 C ATOM 2783 CD1 ILE B 63 8.768 -7.877 -1.740 1.00 2.24 C ATOM 0 H ILE B 63 9.729 -11.409 0.202 1.00 52.11 H new ATOM 0 HA ILE B 63 9.123 -9.278 2.050 1.00 21.43 H new ATOM 0 HB ILE B 63 7.832 -10.244 -0.532 1.00 33.34 H new ATOM 0 HG12 ILE B 63 9.472 -7.796 0.254 1.00 62.31 H new ATOM 0 HG13 ILE B 63 10.066 -9.161 -0.670 1.00 62.31 H new ATOM 0 HG21 ILE B 63 6.444 -8.250 -0.483 1.00 0.23 H new ATOM 0 HG22 ILE B 63 6.078 -9.348 0.869 1.00 0.23 H new ATOM 0 HG23 ILE B 63 7.032 -7.873 1.154 1.00 0.23 H new ATOM 0 HD11 ILE B 63 9.592 -7.267 -2.111 1.00 2.24 H new ATOM 0 HD12 ILE B 63 8.507 -8.627 -2.486 1.00 2.24 H new ATOM 0 HD13 ILE B 63 7.904 -7.241 -1.548 1.00 2.24 H new ATOM 2795 N ASN B 64 7.274 -10.029 3.372 1.00 61.25 N ATOM 2796 CA ASN B 64 6.315 -10.469 4.365 1.00 53.14 C ATOM 2797 C ASN B 64 4.989 -9.780 4.045 1.00 52.31 C ATOM 2798 O ASN B 64 3.947 -10.395 4.054 1.00 14.33 O ATOM 2799 CB ASN B 64 6.812 -10.003 5.735 1.00 23.22 C ATOM 2800 CG ASN B 64 6.213 -10.707 6.910 1.00 22.32 C ATOM 2801 OD1 ASN B 64 5.206 -10.319 7.401 1.00 34.04 O ATOM 2802 ND2 ASN B 64 6.872 -11.726 7.396 1.00 44.45 N ATOM 0 H ASN B 64 7.658 -9.104 3.568 1.00 61.25 H new ATOM 0 HA ASN B 64 6.193 -11.552 4.364 1.00 53.14 H new ATOM 0 HB2 ASN B 64 7.894 -10.128 5.771 1.00 23.22 H new ATOM 0 HB3 ASN B 64 6.611 -8.936 5.831 1.00 23.22 H new ATOM 0 HD21 ASN B 64 6.523 -12.212 8.222 1.00 44.45 H new ATOM 0 HD22 ASN B 64 7.736 -12.035 6.950 1.00 44.45 H new ATOM 2809 N ARG B 65 5.070 -8.484 3.735 1.00 75.41 N ATOM 2810 CA ARG B 65 3.917 -7.668 3.333 1.00 73.41 C ATOM 2811 C ARG B 65 4.366 -6.513 2.463 1.00 43.40 C ATOM 2812 O ARG B 65 5.529 -6.181 2.437 1.00 2.12 O ATOM 2813 CB ARG B 65 3.143 -7.051 4.517 1.00 11.13 C ATOM 2814 CG ARG B 65 2.437 -7.984 5.474 1.00 75.25 C ATOM 2815 CD ARG B 65 1.498 -7.159 6.348 1.00 63.04 C ATOM 2816 NE ARG B 65 0.516 -7.964 7.066 1.00 63.44 N ATOM 2817 CZ ARG B 65 -0.499 -7.443 7.776 1.00 24.54 C ATOM 2818 NH1 ARG B 65 -0.616 -6.124 7.911 1.00 3.30 N ATOM 2819 NH2 ARG B 65 -1.400 -8.233 8.347 1.00 22.30 N ATOM 0 H ARG B 65 5.947 -7.964 3.756 1.00 75.41 H new ATOM 0 HA ARG B 65 3.259 -8.357 2.804 1.00 73.41 H new ATOM 0 HB2 ARG B 65 3.844 -6.449 5.095 1.00 11.13 H new ATOM 0 HB3 ARG B 65 2.398 -6.368 4.108 1.00 11.13 H new ATOM 0 HG2 ARG B 65 1.876 -8.739 4.923 1.00 75.25 H new ATOM 0 HG3 ARG B 65 3.162 -8.513 6.092 1.00 75.25 H new ATOM 0 HD2 ARG B 65 2.088 -6.592 7.068 1.00 63.04 H new ATOM 0 HD3 ARG B 65 0.976 -6.434 5.723 1.00 63.04 H new ATOM 0 HE ARG B 65 0.605 -8.979 7.027 1.00 63.44 H new ATOM 0 HH11 ARG B 65 0.066 -5.504 7.475 1.00 3.30 H new ATOM 0 HH12 ARG B 65 -1.388 -5.733 8.451 1.00 3.30 H new ATOM 0 HH21 ARG B 65 -1.326 -9.246 8.249 1.00 22.30 H new ATOM 0 HH22 ARG B 65 -2.167 -7.828 8.884 1.00 22.30 H new ATOM 2833 N ILE B 66 3.439 -5.935 1.747 1.00 20.21 N ATOM 2834 CA ILE B 66 3.624 -4.699 1.026 1.00 42.04 C ATOM 2835 C ILE B 66 2.313 -3.956 1.098 1.00 64.45 C ATOM 2836 O ILE B 66 1.276 -4.554 1.006 1.00 73.32 O ATOM 2837 CB ILE B 66 4.068 -4.829 -0.495 1.00 3.22 C ATOM 2838 CG1 ILE B 66 3.024 -5.471 -1.367 1.00 51.44 C ATOM 2839 CG2 ILE B 66 5.354 -5.586 -0.647 1.00 41.25 C ATOM 2840 CD1 ILE B 66 3.426 -5.542 -2.836 1.00 33.41 C ATOM 0 H ILE B 66 2.501 -6.323 1.645 1.00 20.21 H new ATOM 0 HA ILE B 66 4.457 -4.181 1.501 1.00 42.04 H new ATOM 0 HB ILE B 66 4.208 -3.801 -0.829 1.00 3.22 H new ATOM 0 HG12 ILE B 66 2.826 -6.479 -1.003 1.00 51.44 H new ATOM 0 HG13 ILE B 66 2.093 -4.911 -1.279 1.00 51.44 H new ATOM 0 HG21 ILE B 66 5.617 -5.649 -1.703 1.00 41.25 H new ATOM 0 HG22 ILE B 66 6.147 -5.069 -0.106 1.00 41.25 H new ATOM 0 HG23 ILE B 66 5.235 -6.591 -0.242 1.00 41.25 H new ATOM 0 HD11 ILE B 66 2.629 -6.016 -3.409 1.00 33.41 H new ATOM 0 HD12 ILE B 66 3.596 -4.535 -3.216 1.00 33.41 H new ATOM 0 HD13 ILE B 66 4.341 -6.126 -2.935 1.00 33.41 H new ATOM 2852 N THR B 67 2.360 -2.703 1.317 1.00 63.03 N ATOM 2853 CA THR B 67 1.171 -1.891 1.377 1.00 60.52 C ATOM 2854 C THR B 67 1.358 -0.772 0.400 1.00 13.35 C ATOM 2855 O THR B 67 2.298 -0.024 0.519 1.00 55.22 O ATOM 2856 CB THR B 67 0.957 -1.329 2.803 1.00 60.30 C ATOM 2857 OG1 THR B 67 0.931 -2.421 3.739 1.00 42.43 O ATOM 2858 CG2 THR B 67 -0.359 -0.555 2.897 1.00 42.22 C ATOM 0 H THR B 67 3.227 -2.186 1.464 1.00 63.03 H new ATOM 0 HA THR B 67 0.291 -2.484 1.131 1.00 60.52 H new ATOM 0 HB THR B 67 1.776 -0.647 3.034 1.00 60.30 H new ATOM 0 HG1 THR B 67 0.797 -2.072 4.645 1.00 42.43 H new ATOM 0 HG21 THR B 67 -0.484 -0.171 3.910 1.00 42.22 H new ATOM 0 HG22 THR B 67 -0.343 0.277 2.193 1.00 42.22 H new ATOM 0 HG23 THR B 67 -1.189 -1.218 2.655 1.00 42.22 H new ATOM 2866 N ILE B 68 0.496 -0.662 -0.552 1.00 42.41 N ATOM 2867 CA ILE B 68 0.641 0.328 -1.567 1.00 43.10 C ATOM 2868 C ILE B 68 -0.538 1.230 -1.442 1.00 71.45 C ATOM 2869 O ILE B 68 -1.678 0.775 -1.570 1.00 23.11 O ATOM 2870 CB ILE B 68 0.604 -0.240 -3.030 1.00 40.01 C ATOM 2871 CG1 ILE B 68 1.455 -1.514 -3.207 1.00 72.31 C ATOM 2872 CG2 ILE B 68 1.072 0.825 -4.019 1.00 1.32 C ATOM 2873 CD1 ILE B 68 0.765 -2.785 -2.758 1.00 23.32 C ATOM 0 H ILE B 68 -0.329 -1.254 -0.650 1.00 42.41 H new ATOM 0 HA ILE B 68 1.611 0.805 -1.423 1.00 43.10 H new ATOM 0 HB ILE B 68 -0.432 -0.514 -3.229 1.00 40.01 H new ATOM 0 HG12 ILE B 68 1.728 -1.613 -4.258 1.00 72.31 H new ATOM 0 HG13 ILE B 68 2.383 -1.399 -2.646 1.00 72.31 H new ATOM 0 HG21 ILE B 68 1.042 0.420 -5.031 1.00 1.32 H new ATOM 0 HG22 ILE B 68 0.416 1.693 -3.956 1.00 1.32 H new ATOM 0 HG23 ILE B 68 2.092 1.123 -3.777 1.00 1.32 H new ATOM 0 HD11 ILE B 68 1.429 -3.635 -2.915 1.00 23.32 H new ATOM 0 HD12 ILE B 68 0.517 -2.710 -1.699 1.00 23.32 H new ATOM 0 HD13 ILE B 68 -0.148 -2.927 -3.336 1.00 23.32 H new ATOM 2885 N LEU B 69 -0.316 2.448 -1.139 1.00 0.20 N ATOM 2886 CA LEU B 69 -1.399 3.366 -1.077 1.00 43.33 C ATOM 2887 C LEU B 69 -1.195 4.525 -2.015 1.00 35.42 C ATOM 2888 O LEU B 69 -0.102 5.099 -2.101 1.00 45.24 O ATOM 2889 CB LEU B 69 -1.868 3.761 0.346 1.00 73.04 C ATOM 2890 CG LEU B 69 -0.860 4.413 1.303 1.00 30.32 C ATOM 2891 CD1 LEU B 69 -1.601 4.961 2.513 1.00 44.34 C ATOM 2892 CD2 LEU B 69 0.142 3.364 1.789 1.00 70.21 C ATOM 0 H LEU B 69 0.602 2.840 -0.929 1.00 0.20 H new ATOM 0 HA LEU B 69 -2.265 2.814 -1.443 1.00 43.33 H new ATOM 0 HB2 LEU B 69 -2.710 4.445 0.238 1.00 73.04 H new ATOM 0 HB3 LEU B 69 -2.248 2.861 0.830 1.00 73.04 H new ATOM 0 HG LEU B 69 -0.338 5.214 0.780 1.00 30.32 H new ATOM 0 HD11 LEU B 69 -0.889 5.425 3.196 1.00 44.34 H new ATOM 0 HD12 LEU B 69 -2.329 5.704 2.188 1.00 44.34 H new ATOM 0 HD13 LEU B 69 -2.116 4.147 3.024 1.00 44.34 H new ATOM 0 HD21 LEU B 69 0.856 3.830 2.468 1.00 70.21 H new ATOM 0 HD22 LEU B 69 -0.389 2.568 2.311 1.00 70.21 H new ATOM 0 HD23 LEU B 69 0.674 2.946 0.935 1.00 70.21 H new ATOM 2904 N CYS B 70 -2.208 4.821 -2.742 1.00 54.30 N ATOM 2905 CA CYS B 70 -2.196 5.862 -3.715 1.00 1.53 C ATOM 2906 C CYS B 70 -3.203 6.923 -3.302 1.00 14.13 C ATOM 2907 O CYS B 70 -4.393 6.605 -3.157 1.00 12.04 O ATOM 2908 CB CYS B 70 -2.598 5.225 -5.050 1.00 54.43 C ATOM 2909 SG CYS B 70 -1.425 3.969 -5.627 1.00 11.14 S ATOM 0 H CYS B 70 -3.101 4.332 -2.678 1.00 54.30 H new ATOM 0 HA CYS B 70 -1.217 6.332 -3.803 1.00 1.53 H new ATOM 0 HB2 CYS B 70 -3.584 4.771 -4.946 1.00 54.43 H new ATOM 0 HB3 CYS B 70 -2.685 6.006 -5.806 1.00 54.43 H new ATOM 0 HG CYS B 70 -1.837 3.478 -6.758 1.00 11.14 H new ATOM 2915 N ASP B 71 -2.784 8.180 -3.084 1.00 24.44 N ATOM 2916 CA ASP B 71 -3.785 9.127 -2.638 1.00 24.22 C ATOM 2917 C ASP B 71 -4.158 10.064 -3.730 1.00 60.10 C ATOM 2918 O ASP B 71 -3.306 10.734 -4.330 1.00 51.25 O ATOM 2919 CB ASP B 71 -3.459 9.853 -1.319 1.00 31.23 C ATOM 2920 CG ASP B 71 -2.509 11.014 -1.432 1.00 71.43 C ATOM 2921 OD1 ASP B 71 -1.371 10.819 -1.794 1.00 3.54 O ATOM 2922 OD2 ASP B 71 -2.940 12.181 -1.172 1.00 24.54 O ATOM 0 H ASP B 71 -1.834 8.534 -3.201 1.00 24.44 H new ATOM 0 HA ASP B 71 -4.659 8.526 -2.388 1.00 24.22 H new ATOM 0 HB2 ASP B 71 -4.391 10.211 -0.883 1.00 31.23 H new ATOM 0 HB3 ASP B 71 -3.038 9.129 -0.621 1.00 31.23 H new ATOM 2927 N LYS B 72 -5.443 10.056 -4.043 1.00 34.15 N ATOM 2928 CA LYS B 72 -5.974 10.845 -5.119 1.00 24.05 C ATOM 2929 C LYS B 72 -6.976 11.848 -4.614 1.00 42.13 C ATOM 2930 O LYS B 72 -7.451 12.679 -5.376 1.00 62.42 O ATOM 2931 CB LYS B 72 -6.702 9.953 -6.092 1.00 60.54 C ATOM 2932 CG LYS B 72 -5.919 8.760 -6.584 1.00 60.34 C ATOM 2933 CD LYS B 72 -6.732 7.979 -7.582 1.00 63.05 C ATOM 2934 CE LYS B 72 -6.940 8.774 -8.855 1.00 15.11 C ATOM 2935 NZ LYS B 72 -7.868 8.112 -9.770 1.00 74.10 N ATOM 0 H LYS B 72 -6.141 9.498 -3.551 1.00 34.15 H new ATOM 0 HA LYS B 72 -5.135 11.356 -5.592 1.00 24.05 H new ATOM 0 HB2 LYS B 72 -7.616 9.596 -5.618 1.00 60.54 H new ATOM 0 HB3 LYS B 72 -7.001 10.550 -6.953 1.00 60.54 H new ATOM 0 HG2 LYS B 72 -4.988 9.092 -7.043 1.00 60.34 H new ATOM 0 HG3 LYS B 72 -5.650 8.121 -5.743 1.00 60.34 H new ATOM 0 HD2 LYS B 72 -6.227 7.041 -7.813 1.00 63.05 H new ATOM 0 HD3 LYS B 72 -7.698 7.722 -7.148 1.00 63.05 H new ATOM 0 HE2 LYS B 72 -7.322 9.764 -8.606 1.00 15.11 H new ATOM 0 HE3 LYS B 72 -5.981 8.918 -9.353 1.00 15.11 H new ATOM 0 HZ1 LYS B 72 -7.767 8.519 -10.722 1.00 74.10 H new ATOM 0 HZ2 LYS B 72 -7.655 7.095 -9.804 1.00 74.10 H new ATOM 0 HZ3 LYS B 72 -8.843 8.251 -9.436 1.00 74.10 H new ATOM 2949 N PHE B 73 -7.318 11.769 -3.334 1.00 53.44 N ATOM 2950 CA PHE B 73 -8.324 12.674 -2.761 1.00 14.23 C ATOM 2951 C PHE B 73 -7.762 14.091 -2.684 1.00 54.55 C ATOM 2952 O PHE B 73 -8.490 15.060 -2.535 1.00 33.32 O ATOM 2953 CB PHE B 73 -8.801 12.183 -1.371 1.00 52.31 C ATOM 2954 CG PHE B 73 -7.739 12.183 -0.319 1.00 11.04 C ATOM 2955 CD1 PHE B 73 -7.517 13.310 0.462 1.00 12.41 C ATOM 2956 CD2 PHE B 73 -6.960 11.079 -0.122 1.00 63.25 C ATOM 2957 CE1 PHE B 73 -6.533 13.321 1.421 1.00 12.43 C ATOM 2958 CE2 PHE B 73 -5.968 11.085 0.833 1.00 53.11 C ATOM 2959 CZ PHE B 73 -5.756 12.206 1.606 1.00 34.44 C ATOM 0 H PHE B 73 -6.923 11.099 -2.675 1.00 53.44 H new ATOM 0 HA PHE B 73 -9.197 12.679 -3.414 1.00 14.23 H new ATOM 0 HB2 PHE B 73 -9.625 12.815 -1.039 1.00 52.31 H new ATOM 0 HB3 PHE B 73 -9.196 11.172 -1.472 1.00 52.31 H new ATOM 0 HD1 PHE B 73 -8.126 14.189 0.313 1.00 12.41 H new ATOM 0 HD2 PHE B 73 -7.123 10.194 -0.720 1.00 63.25 H new ATOM 0 HE1 PHE B 73 -6.372 14.202 2.025 1.00 12.43 H new ATOM 0 HE2 PHE B 73 -5.354 10.208 0.977 1.00 53.11 H new ATOM 0 HZ PHE B 73 -4.979 12.207 2.356 1.00 34.44 H new ATOM 2969 N SER B 74 -6.448 14.183 -2.784 1.00 11.44 N ATOM 2970 CA SER B 74 -5.751 15.439 -2.800 1.00 0.40 C ATOM 2971 C SER B 74 -5.804 16.045 -4.218 1.00 23.03 C ATOM 2972 O SER B 74 -5.268 17.123 -4.474 1.00 52.24 O ATOM 2973 CB SER B 74 -4.304 15.187 -2.385 1.00 71.31 C ATOM 2974 OG SER B 74 -4.261 14.504 -1.130 1.00 40.52 O ATOM 0 H SER B 74 -5.834 13.371 -2.857 1.00 11.44 H new ATOM 0 HA SER B 74 -6.217 16.142 -2.109 1.00 0.40 H new ATOM 0 HB2 SER B 74 -3.798 14.595 -3.147 1.00 71.31 H new ATOM 0 HB3 SER B 74 -3.770 16.134 -2.310 1.00 71.31 H new ATOM 0 HG SER B 74 -3.763 13.666 -1.231 1.00 40.52 H new ATOM 2980 N GLY B 75 -6.422 15.311 -5.130 1.00 33.22 N ATOM 2981 CA GLY B 75 -6.578 15.745 -6.489 1.00 34.34 C ATOM 2982 C GLY B 75 -5.673 14.971 -7.409 1.00 12.40 C ATOM 2983 O GLY B 75 -6.129 14.289 -8.327 1.00 65.24 O ATOM 0 H GLY B 75 -6.827 14.395 -4.937 1.00 33.22 H new ATOM 0 HA2 GLY B 75 -7.615 15.615 -6.799 1.00 34.34 H new ATOM 0 HA3 GLY B 75 -6.354 16.809 -6.563 1.00 34.34 H new ATOM 2987 N HIS B 76 -4.396 15.063 -7.153 1.00 52.40 N ATOM 2988 CA HIS B 76 -3.407 14.378 -7.959 1.00 15.22 C ATOM 2989 C HIS B 76 -3.022 13.065 -7.309 1.00 72.32 C ATOM 2990 O HIS B 76 -2.741 13.034 -6.105 1.00 62.22 O ATOM 2991 CB HIS B 76 -2.175 15.250 -8.205 1.00 72.41 C ATOM 2992 CG HIS B 76 -2.474 16.501 -8.967 1.00 62.43 C ATOM 2993 ND1 HIS B 76 -2.680 17.722 -8.365 1.00 12.33 N ATOM 2994 CD2 HIS B 76 -2.594 16.719 -10.291 1.00 55.30 C ATOM 2995 CE1 HIS B 76 -2.914 18.630 -9.286 1.00 42.34 C ATOM 2996 NE2 HIS B 76 -2.868 18.050 -10.462 1.00 15.43 N ATOM 0 H HIS B 76 -4.007 15.611 -6.385 1.00 52.40 H new ATOM 0 HA HIS B 76 -3.852 14.170 -8.932 1.00 15.22 H new ATOM 0 HB2 HIS B 76 -1.730 15.515 -7.246 1.00 72.41 H new ATOM 0 HB3 HIS B 76 -1.432 14.670 -8.752 1.00 72.41 H new ATOM 0 HD2 HIS B 76 -2.493 15.981 -11.073 1.00 55.30 H new ATOM 0 HE1 HIS B 76 -3.111 19.676 -9.105 1.00 42.34 H new ATOM 0 HE2 HIS B 76 -3.013 18.515 -11.358 1.00 15.43 H new ATOM 3005 N PRO B 77 -3.020 11.960 -8.078 1.00 51.45 N ATOM 3006 CA PRO B 77 -2.675 10.637 -7.556 1.00 13.25 C ATOM 3007 C PRO B 77 -1.183 10.487 -7.278 1.00 25.22 C ATOM 3008 O PRO B 77 -0.354 10.618 -8.186 1.00 5.11 O ATOM 3009 CB PRO B 77 -3.058 9.683 -8.712 1.00 14.33 C ATOM 3010 CG PRO B 77 -3.855 10.507 -9.663 1.00 33.35 C ATOM 3011 CD PRO B 77 -3.358 11.899 -9.509 1.00 12.42 C ATOM 0 HA PRO B 77 -3.183 10.443 -6.611 1.00 13.25 H new ATOM 0 HB2 PRO B 77 -2.170 9.276 -9.195 1.00 14.33 H new ATOM 0 HB3 PRO B 77 -3.638 8.836 -8.346 1.00 14.33 H new ATOM 0 HG2 PRO B 77 -3.726 10.157 -10.687 1.00 33.35 H new ATOM 0 HG3 PRO B 77 -4.919 10.445 -9.437 1.00 33.35 H new ATOM 0 HD2 PRO B 77 -2.490 12.092 -10.140 1.00 12.42 H new ATOM 0 HD3 PRO B 77 -4.117 12.633 -9.778 1.00 12.42 H new ATOM 3019 N LYS B 78 -0.845 10.231 -6.041 1.00 32.23 N ATOM 3020 CA LYS B 78 0.526 9.942 -5.653 1.00 2.13 C ATOM 3021 C LYS B 78 0.594 8.526 -5.228 1.00 22.22 C ATOM 3022 O LYS B 78 -0.416 7.965 -4.820 1.00 1.03 O ATOM 3023 CB LYS B 78 0.976 10.807 -4.477 1.00 34.31 C ATOM 3024 CG LYS B 78 0.956 12.283 -4.754 1.00 61.11 C ATOM 3025 CD LYS B 78 1.555 13.094 -3.594 1.00 71.00 C ATOM 3026 CE LYS B 78 0.771 12.898 -2.306 1.00 14.42 C ATOM 3027 NZ LYS B 78 -0.641 13.317 -2.452 1.00 1.02 N ATOM 0 H LYS B 78 -1.509 10.215 -5.267 1.00 32.23 H new ATOM 0 HA LYS B 78 1.175 10.149 -6.504 1.00 2.13 H new ATOM 0 HB2 LYS B 78 0.332 10.601 -3.622 1.00 34.31 H new ATOM 0 HB3 LYS B 78 1.987 10.516 -4.193 1.00 34.31 H new ATOM 0 HG2 LYS B 78 1.515 12.488 -5.667 1.00 61.11 H new ATOM 0 HG3 LYS B 78 -0.070 12.605 -4.930 1.00 61.11 H new ATOM 0 HD2 LYS B 78 2.591 12.795 -3.438 1.00 71.00 H new ATOM 0 HD3 LYS B 78 1.565 14.152 -3.857 1.00 71.00 H new ATOM 0 HE2 LYS B 78 0.810 11.849 -2.013 1.00 14.42 H new ATOM 0 HE3 LYS B 78 1.239 13.470 -1.505 1.00 14.42 H new ATOM 0 HZ1 LYS B 78 -0.989 13.686 -1.544 1.00 1.02 H new ATOM 0 HZ2 LYS B 78 -0.710 14.059 -3.177 1.00 1.02 H new ATOM 0 HZ3 LYS B 78 -1.218 12.500 -2.737 1.00 1.02 H new ATOM 3041 N GLY B 79 1.740 7.941 -5.325 1.00 40.54 N ATOM 3042 CA GLY B 79 1.877 6.602 -4.903 1.00 4.12 C ATOM 3043 C GLY B 79 3.023 6.418 -3.960 1.00 35.34 C ATOM 3044 O GLY B 79 4.096 7.029 -4.122 1.00 74.31 O ATOM 0 H GLY B 79 2.588 8.373 -5.692 1.00 40.54 H new ATOM 0 HA2 GLY B 79 0.955 6.280 -4.418 1.00 4.12 H new ATOM 0 HA3 GLY B 79 2.020 5.962 -5.774 1.00 4.12 H new ATOM 3048 N TYR B 80 2.803 5.591 -2.984 1.00 21.14 N ATOM 3049 CA TYR B 80 3.805 5.214 -2.044 1.00 12.34 C ATOM 3050 C TYR B 80 3.475 3.858 -1.467 1.00 72.11 C ATOM 3051 O TYR B 80 2.303 3.509 -1.299 1.00 42.13 O ATOM 3052 CB TYR B 80 4.115 6.311 -0.984 1.00 3.30 C ATOM 3053 CG TYR B 80 2.958 6.814 -0.139 1.00 11.21 C ATOM 3054 CD1 TYR B 80 2.109 7.820 -0.602 1.00 0.41 C ATOM 3055 CD2 TYR B 80 2.742 6.315 1.129 1.00 23.32 C ATOM 3056 CE1 TYR B 80 1.078 8.300 0.186 1.00 74.52 C ATOM 3057 CE2 TYR B 80 1.714 6.787 1.921 1.00 51.34 C ATOM 3058 CZ TYR B 80 0.887 7.776 1.447 1.00 14.13 C ATOM 3059 OH TYR B 80 -0.137 8.246 2.241 1.00 34.23 O ATOM 0 H TYR B 80 1.898 5.151 -2.818 1.00 21.14 H new ATOM 0 HA TYR B 80 4.753 5.120 -2.573 1.00 12.34 H new ATOM 0 HB2 TYR B 80 4.879 5.922 -0.311 1.00 3.30 H new ATOM 0 HB3 TYR B 80 4.551 7.166 -1.502 1.00 3.30 H new ATOM 0 HD1 TYR B 80 2.259 8.230 -1.590 1.00 0.41 H new ATOM 0 HD2 TYR B 80 3.390 5.540 1.510 1.00 23.32 H new ATOM 0 HE1 TYR B 80 0.428 9.079 -0.184 1.00 74.52 H new ATOM 0 HE2 TYR B 80 1.561 6.380 2.910 1.00 51.34 H new ATOM 0 HH TYR B 80 -0.132 7.770 3.097 1.00 34.23 H new ATOM 3069 N ALA B 81 4.483 3.092 -1.193 1.00 53.30 N ATOM 3070 CA ALA B 81 4.303 1.729 -0.782 1.00 23.55 C ATOM 3071 C ALA B 81 5.232 1.397 0.345 1.00 24.21 C ATOM 3072 O ALA B 81 6.235 2.029 0.516 1.00 1.14 O ATOM 3073 CB ALA B 81 4.531 0.785 -1.959 1.00 13.45 C ATOM 0 H ALA B 81 5.457 3.391 -1.247 1.00 53.30 H new ATOM 0 HA ALA B 81 3.278 1.604 -0.432 1.00 23.55 H new ATOM 0 HB1 ALA B 81 4.391 -0.245 -1.632 1.00 13.45 H new ATOM 0 HB2 ALA B 81 3.819 1.014 -2.752 1.00 13.45 H new ATOM 0 HB3 ALA B 81 5.546 0.911 -2.335 1.00 13.45 H new ATOM 3079 N TYR B 82 4.872 0.442 1.124 1.00 4.23 N ATOM 3080 CA TYR B 82 5.685 -0.006 2.220 1.00 63.23 C ATOM 3081 C TYR B 82 5.940 -1.461 2.058 1.00 44.32 C ATOM 3082 O TYR B 82 5.008 -2.247 2.021 1.00 25.32 O ATOM 3083 CB TYR B 82 4.980 0.267 3.551 1.00 3.13 C ATOM 3084 CG TYR B 82 4.771 1.728 3.822 1.00 25.14 C ATOM 3085 CD1 TYR B 82 3.781 2.436 3.164 1.00 70.31 C ATOM 3086 CD2 TYR B 82 5.564 2.402 4.732 1.00 23.54 C ATOM 3087 CE1 TYR B 82 3.593 3.767 3.391 1.00 31.45 C ATOM 3088 CE2 TYR B 82 5.376 3.742 4.971 1.00 21.42 C ATOM 3089 CZ TYR B 82 4.384 4.416 4.289 1.00 11.51 C ATOM 3090 OH TYR B 82 4.215 5.746 4.486 1.00 22.30 O ATOM 0 H TYR B 82 3.992 -0.065 1.025 1.00 4.23 H new ATOM 0 HA TYR B 82 6.631 0.535 2.223 1.00 63.23 H new ATOM 0 HB2 TYR B 82 4.014 -0.238 3.553 1.00 3.13 H new ATOM 0 HB3 TYR B 82 5.567 -0.166 4.361 1.00 3.13 H new ATOM 0 HD1 TYR B 82 3.145 1.924 2.457 1.00 70.31 H new ATOM 0 HD2 TYR B 82 6.340 1.869 5.261 1.00 23.54 H new ATOM 0 HE1 TYR B 82 2.820 4.304 2.861 1.00 31.45 H new ATOM 0 HE2 TYR B 82 5.998 4.262 5.685 1.00 21.42 H new ATOM 0 HH TYR B 82 3.260 5.963 4.453 1.00 22.30 H new ATOM 3100 N ILE B 83 7.178 -1.822 1.934 1.00 61.34 N ATOM 3101 CA ILE B 83 7.543 -3.194 1.737 1.00 4.45 C ATOM 3102 C ILE B 83 8.027 -3.721 3.071 1.00 50.24 C ATOM 3103 O ILE B 83 8.973 -3.189 3.648 1.00 5.41 O ATOM 3104 CB ILE B 83 8.698 -3.336 0.703 1.00 75.42 C ATOM 3105 CG1 ILE B 83 8.439 -2.458 -0.545 1.00 21.01 C ATOM 3106 CG2 ILE B 83 8.873 -4.797 0.304 1.00 54.11 C ATOM 3107 CD1 ILE B 83 7.208 -2.801 -1.355 1.00 43.54 C ATOM 0 H ILE B 83 7.966 -1.176 1.966 1.00 61.34 H new ATOM 0 HA ILE B 83 6.683 -3.746 1.359 1.00 4.45 H new ATOM 0 HB ILE B 83 9.619 -2.988 1.171 1.00 75.42 H new ATOM 0 HG12 ILE B 83 8.360 -1.419 -0.224 1.00 21.01 H new ATOM 0 HG13 ILE B 83 9.309 -2.524 -1.198 1.00 21.01 H new ATOM 0 HG21 ILE B 83 9.684 -4.882 -0.419 1.00 54.11 H new ATOM 0 HG22 ILE B 83 9.111 -5.389 1.187 1.00 54.11 H new ATOM 0 HG23 ILE B 83 7.949 -5.166 -0.142 1.00 54.11 H new ATOM 0 HD11 ILE B 83 7.129 -2.121 -2.203 1.00 43.54 H new ATOM 0 HD12 ILE B 83 7.285 -3.826 -1.718 1.00 43.54 H new ATOM 0 HD13 ILE B 83 6.321 -2.704 -0.728 1.00 43.54 H new ATOM 3119 N GLU B 84 7.383 -4.710 3.567 1.00 61.01 N ATOM 3120 CA GLU B 84 7.730 -5.265 4.831 1.00 13.31 C ATOM 3121 C GLU B 84 8.394 -6.606 4.603 1.00 51.31 C ATOM 3122 O GLU B 84 7.841 -7.469 3.922 1.00 24.41 O ATOM 3123 CB GLU B 84 6.478 -5.377 5.721 1.00 14.13 C ATOM 3124 CG GLU B 84 5.719 -4.049 5.813 1.00 25.10 C ATOM 3125 CD GLU B 84 4.580 -4.035 6.798 1.00 33.31 C ATOM 3126 OE1 GLU B 84 3.476 -4.469 6.461 1.00 22.01 O ATOM 3127 OE2 GLU B 84 4.784 -3.523 7.914 1.00 64.53 O ATOM 0 H GLU B 84 6.593 -5.165 3.108 1.00 61.01 H new ATOM 0 HA GLU B 84 8.433 -4.618 5.355 1.00 13.31 H new ATOM 0 HB2 GLU B 84 5.817 -6.146 5.321 1.00 14.13 H new ATOM 0 HB3 GLU B 84 6.771 -5.697 6.721 1.00 14.13 H new ATOM 0 HG2 GLU B 84 6.424 -3.263 6.084 1.00 25.10 H new ATOM 0 HG3 GLU B 84 5.329 -3.801 4.826 1.00 25.10 H new ATOM 3134 N PHE B 85 9.576 -6.774 5.142 1.00 32.02 N ATOM 3135 CA PHE B 85 10.333 -7.988 4.943 1.00 41.20 C ATOM 3136 C PHE B 85 10.331 -8.822 6.198 1.00 2.33 C ATOM 3137 O PHE B 85 9.992 -8.342 7.275 1.00 53.15 O ATOM 3138 CB PHE B 85 11.782 -7.693 4.559 1.00 25.24 C ATOM 3139 CG PHE B 85 11.978 -6.937 3.279 1.00 35.33 C ATOM 3140 CD1 PHE B 85 11.822 -7.567 2.055 1.00 72.22 C ATOM 3141 CD2 PHE B 85 12.365 -5.610 3.299 1.00 60.23 C ATOM 3142 CE1 PHE B 85 12.043 -6.883 0.881 1.00 43.45 C ATOM 3143 CE2 PHE B 85 12.583 -4.924 2.129 1.00 71.10 C ATOM 3144 CZ PHE B 85 12.423 -5.560 0.921 1.00 62.54 C ATOM 0 H PHE B 85 10.039 -6.079 5.727 1.00 32.02 H new ATOM 0 HA PHE B 85 9.854 -8.532 4.129 1.00 41.20 H new ATOM 0 HB2 PHE B 85 12.244 -7.127 5.368 1.00 25.24 H new ATOM 0 HB3 PHE B 85 12.318 -8.639 4.486 1.00 25.24 H new ATOM 0 HD1 PHE B 85 11.524 -8.605 2.022 1.00 72.22 H new ATOM 0 HD2 PHE B 85 12.497 -5.107 4.245 1.00 60.23 H new ATOM 0 HE1 PHE B 85 11.919 -7.382 -0.068 1.00 43.45 H new ATOM 0 HE2 PHE B 85 12.880 -3.886 2.158 1.00 71.10 H new ATOM 0 HZ PHE B 85 12.596 -5.021 0.001 1.00 62.54 H new ATOM 3154 N ALA B 86 10.704 -10.062 6.054 1.00 72.32 N ATOM 3155 CA ALA B 86 10.797 -10.964 7.186 1.00 23.13 C ATOM 3156 C ALA B 86 12.203 -10.956 7.781 1.00 60.40 C ATOM 3157 O ALA B 86 12.414 -11.386 8.917 1.00 61.24 O ATOM 3158 CB ALA B 86 10.424 -12.371 6.758 1.00 32.43 C ATOM 0 H ALA B 86 10.952 -10.482 5.158 1.00 72.32 H new ATOM 0 HA ALA B 86 10.101 -10.622 7.952 1.00 23.13 H new ATOM 0 HB1 ALA B 86 10.496 -13.043 7.613 1.00 32.43 H new ATOM 0 HB2 ALA B 86 9.403 -12.377 6.377 1.00 32.43 H new ATOM 0 HB3 ALA B 86 11.105 -12.706 5.975 1.00 32.43 H new ATOM 3164 N GLU B 87 13.165 -10.485 7.005 1.00 13.11 N ATOM 3165 CA GLU B 87 14.562 -10.497 7.417 1.00 24.23 C ATOM 3166 C GLU B 87 15.191 -9.096 7.288 1.00 30.23 C ATOM 3167 O GLU B 87 14.894 -8.363 6.339 1.00 40.05 O ATOM 3168 CB GLU B 87 15.289 -11.497 6.508 1.00 10.11 C ATOM 3169 CG GLU B 87 14.680 -12.899 6.573 1.00 74.41 C ATOM 3170 CD GLU B 87 15.180 -13.835 5.508 1.00 40.13 C ATOM 3171 OE1 GLU B 87 16.220 -14.477 5.706 1.00 52.25 O ATOM 3172 OE2 GLU B 87 14.507 -13.968 4.457 1.00 55.54 O ATOM 0 H GLU B 87 13.004 -10.087 6.080 1.00 13.11 H new ATOM 0 HA GLU B 87 14.646 -10.787 8.464 1.00 24.23 H new ATOM 0 HB2 GLU B 87 15.257 -11.138 5.479 1.00 10.11 H new ATOM 0 HB3 GLU B 87 16.339 -11.547 6.795 1.00 10.11 H new ATOM 0 HG2 GLU B 87 14.893 -13.331 7.551 1.00 74.41 H new ATOM 0 HG3 GLU B 87 13.596 -12.817 6.490 1.00 74.41 H new ATOM 3179 N ARG B 88 16.058 -8.732 8.246 1.00 12.31 N ATOM 3180 CA ARG B 88 16.772 -7.436 8.231 1.00 30.41 C ATOM 3181 C ARG B 88 17.662 -7.264 7.025 1.00 31.13 C ATOM 3182 O ARG B 88 17.815 -6.161 6.522 1.00 42.45 O ATOM 3183 CB ARG B 88 17.618 -7.231 9.489 1.00 0.13 C ATOM 3184 CG ARG B 88 16.911 -6.566 10.649 1.00 5.04 C ATOM 3185 CD ARG B 88 16.478 -5.154 10.268 1.00 60.31 C ATOM 3186 NE ARG B 88 17.596 -4.372 9.700 1.00 63.33 N ATOM 3187 CZ ARG B 88 17.548 -3.086 9.361 1.00 31.21 C ATOM 3188 NH1 ARG B 88 16.456 -2.386 9.578 1.00 1.53 N ATOM 3189 NH2 ARG B 88 18.598 -2.503 8.783 1.00 44.40 N ATOM 0 H ARG B 88 16.286 -9.319 9.048 1.00 12.31 H new ATOM 0 HA ARG B 88 15.983 -6.685 8.191 1.00 30.41 H new ATOM 0 HB2 ARG B 88 17.987 -8.202 9.820 1.00 0.13 H new ATOM 0 HB3 ARG B 88 18.490 -6.632 9.226 1.00 0.13 H new ATOM 0 HG2 ARG B 88 16.040 -7.155 10.938 1.00 5.04 H new ATOM 0 HG3 ARG B 88 17.573 -6.529 11.514 1.00 5.04 H new ATOM 0 HD2 ARG B 88 15.666 -5.206 9.543 1.00 60.31 H new ATOM 0 HD3 ARG B 88 16.088 -4.643 11.148 1.00 60.31 H new ATOM 0 HE ARG B 88 18.480 -4.860 9.555 1.00 63.33 H new ATOM 0 HH11 ARG B 88 15.643 -2.829 10.007 1.00 1.53 H new ATOM 0 HH12 ARG B 88 16.422 -1.400 9.317 1.00 1.53 H new ATOM 0 HH21 ARG B 88 19.444 -3.043 8.598 1.00 44.40 H new ATOM 0 HH22 ARG B 88 18.556 -1.517 8.525 1.00 44.40 H new ATOM 3203 N ASN B 89 18.247 -8.345 6.570 1.00 34.54 N ATOM 3204 CA ASN B 89 19.159 -8.301 5.423 1.00 32.41 C ATOM 3205 C ASN B 89 18.483 -7.711 4.216 1.00 4.12 C ATOM 3206 O ASN B 89 19.102 -6.973 3.451 1.00 23.22 O ATOM 3207 CB ASN B 89 19.698 -9.681 5.066 1.00 74.11 C ATOM 3208 CG ASN B 89 20.541 -10.330 6.162 1.00 45.42 C ATOM 3209 OD1 ASN B 89 20.322 -10.114 7.352 1.00 61.01 O ATOM 3210 ND2 ASN B 89 21.511 -11.118 5.771 1.00 25.03 N ATOM 0 H ASN B 89 18.116 -9.275 6.969 1.00 34.54 H new ATOM 0 HA ASN B 89 19.995 -7.668 5.719 1.00 32.41 H new ATOM 0 HB2 ASN B 89 18.859 -10.337 4.833 1.00 74.11 H new ATOM 0 HB3 ASN B 89 20.300 -9.600 4.161 1.00 74.11 H new ATOM 0 HD21 ASN B 89 22.109 -11.572 6.461 1.00 25.03 H new ATOM 0 HD22 ASN B 89 21.668 -11.278 4.776 1.00 25.03 H new ATOM 3217 N SER B 90 17.205 -8.019 4.042 1.00 74.33 N ATOM 3218 CA SER B 90 16.450 -7.531 2.939 1.00 41.52 C ATOM 3219 C SER B 90 16.333 -6.005 2.962 1.00 13.14 C ATOM 3220 O SER B 90 16.518 -5.351 1.936 1.00 53.01 O ATOM 3221 CB SER B 90 15.093 -8.177 3.003 1.00 52.34 C ATOM 3222 OG SER B 90 15.234 -9.590 3.129 1.00 45.21 O ATOM 0 H SER B 90 16.677 -8.619 4.676 1.00 74.33 H new ATOM 0 HA SER B 90 16.952 -7.783 2.005 1.00 41.52 H new ATOM 0 HB2 SER B 90 14.532 -7.782 3.850 1.00 52.34 H new ATOM 0 HB3 SER B 90 14.524 -7.938 2.104 1.00 52.34 H new ATOM 0 HG SER B 90 14.473 -9.951 3.630 1.00 45.21 H new ATOM 3228 N VAL B 91 16.060 -5.433 4.132 1.00 44.23 N ATOM 3229 CA VAL B 91 15.987 -3.992 4.244 1.00 65.01 C ATOM 3230 C VAL B 91 17.332 -3.342 4.035 1.00 54.11 C ATOM 3231 O VAL B 91 17.424 -2.369 3.293 1.00 64.41 O ATOM 3232 CB VAL B 91 15.183 -3.444 5.505 1.00 62.41 C ATOM 3233 CG1 VAL B 91 15.423 -4.297 6.702 1.00 65.51 C ATOM 3234 CG2 VAL B 91 15.576 -1.996 5.862 1.00 21.01 C ATOM 0 H VAL B 91 15.889 -5.942 4.999 1.00 44.23 H new ATOM 0 HA VAL B 91 15.356 -3.674 3.414 1.00 65.01 H new ATOM 0 HB VAL B 91 14.130 -3.469 5.226 1.00 62.41 H new ATOM 0 HG11 VAL B 91 14.863 -3.901 7.549 1.00 65.51 H new ATOM 0 HG12 VAL B 91 15.095 -5.316 6.494 1.00 65.51 H new ATOM 0 HG13 VAL B 91 16.487 -4.299 6.940 1.00 65.51 H new ATOM 0 HG21 VAL B 91 15.002 -1.666 6.728 1.00 21.01 H new ATOM 0 HG22 VAL B 91 16.640 -1.955 6.095 1.00 21.01 H new ATOM 0 HG23 VAL B 91 15.364 -1.342 5.016 1.00 21.01 H new ATOM 3244 N ASP B 92 18.393 -3.908 4.618 1.00 41.15 N ATOM 3245 CA ASP B 92 19.742 -3.352 4.416 1.00 31.33 C ATOM 3246 C ASP B 92 20.148 -3.341 2.950 1.00 72.22 C ATOM 3247 O ASP B 92 20.843 -2.434 2.495 1.00 53.51 O ATOM 3248 CB ASP B 92 20.802 -4.085 5.240 1.00 71.25 C ATOM 3249 CG ASP B 92 20.760 -3.769 6.716 1.00 30.53 C ATOM 3250 OD1 ASP B 92 21.399 -2.799 7.128 1.00 74.14 O ATOM 3251 OD2 ASP B 92 20.117 -4.510 7.484 1.00 24.13 O ATOM 0 H ASP B 92 18.352 -4.731 5.220 1.00 41.15 H new ATOM 0 HA ASP B 92 19.689 -2.321 4.765 1.00 31.33 H new ATOM 0 HB2 ASP B 92 20.674 -5.159 5.105 1.00 71.25 H new ATOM 0 HB3 ASP B 92 21.789 -3.831 4.852 1.00 71.25 H new ATOM 3256 N ALA B 93 19.745 -4.355 2.218 1.00 52.54 N ATOM 3257 CA ALA B 93 20.028 -4.416 0.794 1.00 74.23 C ATOM 3258 C ALA B 93 19.143 -3.439 0.004 1.00 24.35 C ATOM 3259 O ALA B 93 19.591 -2.826 -0.970 1.00 12.13 O ATOM 3260 CB ALA B 93 19.869 -5.833 0.278 1.00 14.23 C ATOM 0 H ALA B 93 19.220 -5.151 2.581 1.00 52.54 H new ATOM 0 HA ALA B 93 21.064 -4.112 0.645 1.00 74.23 H new ATOM 0 HB1 ALA B 93 20.085 -5.858 -0.790 1.00 14.23 H new ATOM 0 HB2 ALA B 93 20.561 -6.491 0.804 1.00 14.23 H new ATOM 0 HB3 ALA B 93 18.847 -6.170 0.449 1.00 14.23 H new ATOM 3266 N ALA B 94 17.906 -3.277 0.450 1.00 13.20 N ATOM 3267 CA ALA B 94 16.932 -2.435 -0.241 1.00 61.34 C ATOM 3268 C ALA B 94 17.216 -0.945 -0.036 1.00 30.10 C ATOM 3269 O ALA B 94 17.051 -0.149 -0.950 1.00 75.04 O ATOM 3270 CB ALA B 94 15.511 -2.788 0.191 1.00 1.32 C ATOM 0 H ALA B 94 17.548 -3.721 1.295 1.00 13.20 H new ATOM 0 HA ALA B 94 17.026 -2.634 -1.308 1.00 61.34 H new ATOM 0 HB1 ALA B 94 14.802 -2.149 -0.335 1.00 1.32 H new ATOM 0 HB2 ALA B 94 15.307 -3.832 -0.048 1.00 1.32 H new ATOM 0 HB3 ALA B 94 15.409 -2.635 1.265 1.00 1.32 H new ATOM 3276 N VAL B 95 17.637 -0.577 1.168 1.00 64.33 N ATOM 3277 CA VAL B 95 17.984 0.827 1.482 1.00 55.05 C ATOM 3278 C VAL B 95 19.098 1.360 0.584 1.00 64.12 C ATOM 3279 O VAL B 95 19.210 2.557 0.384 1.00 3.41 O ATOM 3280 CB VAL B 95 18.362 1.068 2.974 1.00 63.42 C ATOM 3281 CG1 VAL B 95 17.234 0.667 3.891 1.00 33.42 C ATOM 3282 CG2 VAL B 95 19.653 0.359 3.353 1.00 72.43 C ATOM 0 H VAL B 95 17.750 -1.221 1.950 1.00 64.33 H new ATOM 0 HA VAL B 95 17.066 1.381 1.286 1.00 55.05 H new ATOM 0 HB VAL B 95 18.533 2.138 3.095 1.00 63.42 H new ATOM 0 HG11 VAL B 95 17.525 0.846 4.926 1.00 33.42 H new ATOM 0 HG12 VAL B 95 16.347 1.256 3.657 1.00 33.42 H new ATOM 0 HG13 VAL B 95 17.013 -0.391 3.754 1.00 33.42 H new ATOM 0 HG21 VAL B 95 19.880 0.553 4.401 1.00 72.43 H new ATOM 0 HG22 VAL B 95 19.538 -0.714 3.199 1.00 72.43 H new ATOM 0 HG23 VAL B 95 20.468 0.729 2.731 1.00 72.43 H new ATOM 3292 N ALA B 96 19.903 0.464 0.030 1.00 52.14 N ATOM 3293 CA ALA B 96 20.990 0.847 -0.861 1.00 24.12 C ATOM 3294 C ALA B 96 20.463 1.242 -2.230 1.00 1.44 C ATOM 3295 O ALA B 96 21.192 1.754 -3.072 1.00 35.31 O ATOM 3296 CB ALA B 96 21.979 -0.296 -1.008 1.00 43.04 C ATOM 0 H ALA B 96 19.823 -0.541 0.184 1.00 52.14 H new ATOM 0 HA ALA B 96 21.493 1.708 -0.421 1.00 24.12 H new ATOM 0 HB1 ALA B 96 22.786 0.005 -1.677 1.00 43.04 H new ATOM 0 HB2 ALA B 96 22.392 -0.548 -0.031 1.00 43.04 H new ATOM 0 HB3 ALA B 96 21.470 -1.167 -1.422 1.00 43.04 H new ATOM 3302 N MET B 97 19.199 0.985 -2.441 1.00 61.23 N ATOM 3303 CA MET B 97 18.562 1.219 -3.703 1.00 41.04 C ATOM 3304 C MET B 97 17.726 2.494 -3.592 1.00 51.32 C ATOM 3305 O MET B 97 16.963 2.824 -4.495 1.00 34.13 O ATOM 3306 CB MET B 97 17.678 -0.010 -3.991 1.00 24.21 C ATOM 3307 CG MET B 97 17.393 -0.300 -5.438 1.00 12.31 C ATOM 3308 SD MET B 97 16.615 -1.933 -5.695 1.00 3.20 S ATOM 3309 CE MET B 97 15.327 -1.962 -4.445 1.00 12.55 C ATOM 0 H MET B 97 18.577 0.602 -1.729 1.00 61.23 H new ATOM 0 HA MET B 97 19.277 1.353 -4.514 1.00 41.04 H new ATOM 0 HB2 MET B 97 18.157 -0.886 -3.554 1.00 24.21 H new ATOM 0 HB3 MET B 97 16.727 0.124 -3.475 1.00 24.21 H new ATOM 0 HG2 MET B 97 16.739 0.475 -5.837 1.00 12.31 H new ATOM 0 HG3 MET B 97 18.324 -0.254 -6.003 1.00 12.31 H new ATOM 0 HE1 MET B 97 14.675 -2.819 -4.614 1.00 12.55 H new ATOM 0 HE2 MET B 97 15.781 -2.041 -3.457 1.00 12.55 H new ATOM 0 HE3 MET B 97 14.742 -1.044 -4.504 1.00 12.55 H new ATOM 3319 N ASP B 98 17.874 3.189 -2.437 1.00 42.41 N ATOM 3320 CA ASP B 98 17.155 4.442 -2.140 1.00 41.43 C ATOM 3321 C ASP B 98 17.068 5.380 -3.321 1.00 23.21 C ATOM 3322 O ASP B 98 15.988 5.790 -3.677 1.00 43.21 O ATOM 3323 CB ASP B 98 17.704 5.183 -0.886 1.00 24.30 C ATOM 3324 CG ASP B 98 19.043 5.880 -1.079 1.00 32.05 C ATOM 3325 OD1 ASP B 98 20.092 5.220 -1.038 1.00 11.53 O ATOM 3326 OD2 ASP B 98 19.048 7.123 -1.253 1.00 61.04 O ATOM 0 H ASP B 98 18.498 2.891 -1.687 1.00 42.41 H new ATOM 0 HA ASP B 98 16.139 4.121 -1.910 1.00 41.43 H new ATOM 0 HB2 ASP B 98 16.969 5.924 -0.571 1.00 24.30 H new ATOM 0 HB3 ASP B 98 17.801 4.464 -0.072 1.00 24.30 H new ATOM 3331 N GLU B 99 18.180 5.766 -3.895 1.00 42.23 N ATOM 3332 CA GLU B 99 18.164 6.593 -5.062 1.00 31.54 C ATOM 3333 C GLU B 99 18.428 5.742 -6.300 1.00 0.32 C ATOM 3334 O GLU B 99 19.573 5.393 -6.600 1.00 71.45 O ATOM 3335 CB GLU B 99 19.211 7.703 -4.918 1.00 64.20 C ATOM 3336 CG GLU B 99 19.272 8.697 -6.059 1.00 30.43 C ATOM 3337 CD GLU B 99 20.348 9.727 -5.836 1.00 53.01 C ATOM 3338 OE1 GLU B 99 21.526 9.423 -6.087 1.00 24.31 O ATOM 3339 OE2 GLU B 99 20.031 10.853 -5.385 1.00 40.45 O ATOM 0 H GLU B 99 19.112 5.515 -3.565 1.00 42.23 H new ATOM 0 HA GLU B 99 17.184 7.058 -5.173 1.00 31.54 H new ATOM 0 HB2 GLU B 99 19.012 8.248 -3.995 1.00 64.20 H new ATOM 0 HB3 GLU B 99 20.192 7.241 -4.810 1.00 64.20 H new ATOM 0 HG2 GLU B 99 19.461 8.169 -6.994 1.00 30.43 H new ATOM 0 HG3 GLU B 99 18.307 9.194 -6.163 1.00 30.43 H new ATOM 3346 N THR B 100 17.363 5.364 -6.952 1.00 73.23 N ATOM 3347 CA THR B 100 17.416 4.585 -8.176 1.00 40.42 C ATOM 3348 C THR B 100 16.287 4.977 -9.104 1.00 74.21 C ATOM 3349 O THR B 100 15.330 5.633 -8.688 1.00 70.21 O ATOM 3350 CB THR B 100 17.372 3.050 -7.930 1.00 52.02 C ATOM 3351 OG1 THR B 100 16.281 2.703 -7.068 1.00 73.22 O ATOM 3352 CG2 THR B 100 18.683 2.510 -7.377 1.00 12.52 C ATOM 0 H THR B 100 16.415 5.588 -6.650 1.00 73.23 H new ATOM 0 HA THR B 100 18.378 4.812 -8.636 1.00 40.42 H new ATOM 0 HB THR B 100 17.217 2.580 -8.901 1.00 52.02 H new ATOM 0 HG1 THR B 100 16.465 3.026 -6.161 1.00 73.22 H new ATOM 0 HG21 THR B 100 18.598 1.434 -7.224 1.00 12.52 H new ATOM 0 HG22 THR B 100 19.487 2.713 -8.084 1.00 12.52 H new ATOM 0 HG23 THR B 100 18.904 2.995 -6.426 1.00 12.52 H new ATOM 3360 N VAL B 101 16.394 4.579 -10.341 1.00 2.51 N ATOM 3361 CA VAL B 101 15.388 4.872 -11.315 1.00 5.24 C ATOM 3362 C VAL B 101 14.603 3.601 -11.655 1.00 64.24 C ATOM 3363 O VAL B 101 15.171 2.590 -12.098 1.00 51.32 O ATOM 3364 CB VAL B 101 15.997 5.539 -12.596 1.00 24.14 C ATOM 3365 CG1 VAL B 101 17.092 4.679 -13.214 1.00 73.30 C ATOM 3366 CG2 VAL B 101 14.917 5.855 -13.623 1.00 10.31 C ATOM 0 H VAL B 101 17.183 4.042 -10.700 1.00 2.51 H new ATOM 0 HA VAL B 101 14.697 5.598 -10.887 1.00 5.24 H new ATOM 0 HB VAL B 101 16.451 6.478 -12.281 1.00 24.14 H new ATOM 0 HG11 VAL B 101 17.489 5.176 -14.099 1.00 73.30 H new ATOM 0 HG12 VAL B 101 17.893 4.534 -12.489 1.00 73.30 H new ATOM 0 HG13 VAL B 101 16.679 3.711 -13.496 1.00 73.30 H new ATOM 0 HG21 VAL B 101 15.372 6.317 -14.499 1.00 10.31 H new ATOM 0 HG22 VAL B 101 14.415 4.934 -13.918 1.00 10.31 H new ATOM 0 HG23 VAL B 101 14.190 6.541 -13.188 1.00 10.31 H new ATOM 3376 N PHE B 102 13.328 3.642 -11.404 1.00 51.53 N ATOM 3377 CA PHE B 102 12.457 2.537 -11.680 1.00 24.12 C ATOM 3378 C PHE B 102 11.233 3.038 -12.417 1.00 2.21 C ATOM 3379 O PHE B 102 10.596 4.004 -11.990 1.00 51.41 O ATOM 3380 CB PHE B 102 12.064 1.820 -10.374 1.00 72.13 C ATOM 3381 CG PHE B 102 11.155 0.631 -10.560 1.00 50.22 C ATOM 3382 CD1 PHE B 102 11.661 -0.582 -10.999 1.00 31.13 C ATOM 3383 CD2 PHE B 102 9.798 0.726 -10.291 1.00 13.42 C ATOM 3384 CE1 PHE B 102 10.832 -1.675 -11.164 1.00 0.44 C ATOM 3385 CE2 PHE B 102 8.965 -0.363 -10.455 1.00 4.13 C ATOM 3386 CZ PHE B 102 9.483 -1.565 -10.895 1.00 24.32 C ATOM 0 H PHE B 102 12.858 4.451 -10.998 1.00 51.53 H new ATOM 0 HA PHE B 102 12.976 1.814 -12.309 1.00 24.12 H new ATOM 0 HB2 PHE B 102 12.972 1.491 -9.868 1.00 72.13 H new ATOM 0 HB3 PHE B 102 11.573 2.536 -9.715 1.00 72.13 H new ATOM 0 HD1 PHE B 102 12.715 -0.674 -11.215 1.00 31.13 H new ATOM 0 HD2 PHE B 102 9.387 1.664 -9.949 1.00 13.42 H new ATOM 0 HE1 PHE B 102 11.240 -2.616 -11.504 1.00 0.44 H new ATOM 0 HE2 PHE B 102 7.910 -0.275 -10.240 1.00 4.13 H new ATOM 0 HZ PHE B 102 8.834 -2.418 -11.028 1.00 24.32 H new ATOM 3396 N ARG B 103 10.942 2.407 -13.546 1.00 44.13 N ATOM 3397 CA ARG B 103 9.802 2.720 -14.399 1.00 63.41 C ATOM 3398 C ARG B 103 9.918 4.162 -14.937 1.00 33.04 C ATOM 3399 O ARG B 103 8.928 4.856 -15.200 1.00 10.44 O ATOM 3400 CB ARG B 103 8.500 2.476 -13.640 1.00 61.00 C ATOM 3401 CG ARG B 103 7.304 2.379 -14.547 1.00 1.24 C ATOM 3402 CD ARG B 103 6.061 2.070 -13.779 1.00 74.43 C ATOM 3403 NE ARG B 103 4.921 1.925 -14.665 1.00 55.11 N ATOM 3404 CZ ARG B 103 3.956 2.813 -14.766 1.00 72.30 C ATOM 3405 NH1 ARG B 103 4.084 3.963 -14.152 1.00 64.41 N ATOM 3406 NH2 ARG B 103 2.895 2.566 -15.519 1.00 11.02 N ATOM 0 H ARG B 103 11.510 1.639 -13.905 1.00 44.13 H new ATOM 0 HA ARG B 103 9.797 2.059 -15.266 1.00 63.41 H new ATOM 0 HB2 ARG B 103 8.588 1.555 -13.064 1.00 61.00 H new ATOM 0 HB3 ARG B 103 8.344 3.285 -12.926 1.00 61.00 H new ATOM 0 HG2 ARG B 103 7.177 3.318 -15.085 1.00 1.24 H new ATOM 0 HG3 ARG B 103 7.474 1.604 -15.294 1.00 1.24 H new ATOM 0 HD2 ARG B 103 6.201 1.152 -13.209 1.00 74.43 H new ATOM 0 HD3 ARG B 103 5.867 2.866 -13.060 1.00 74.43 H new ATOM 0 HE ARG B 103 4.865 1.086 -15.243 1.00 55.11 H new ATOM 0 HH11 ARG B 103 4.923 4.159 -13.606 1.00 64.41 H new ATOM 0 HH12 ARG B 103 3.345 4.663 -14.220 1.00 64.41 H new ATOM 0 HH21 ARG B 103 2.823 1.683 -16.025 1.00 11.02 H new ATOM 0 HH22 ARG B 103 2.150 3.259 -15.593 1.00 11.02 H new ATOM 3420 N GLY B 104 11.156 4.558 -15.150 1.00 70.14 N ATOM 3421 CA GLY B 104 11.468 5.842 -15.742 1.00 4.53 C ATOM 3422 C GLY B 104 11.508 7.000 -14.768 1.00 14.30 C ATOM 3423 O GLY B 104 11.655 8.153 -15.187 1.00 11.21 O ATOM 0 H GLY B 104 11.976 3.997 -14.917 1.00 70.14 H new ATOM 0 HA2 GLY B 104 12.435 5.771 -16.239 1.00 4.53 H new ATOM 0 HA3 GLY B 104 10.729 6.060 -16.513 1.00 4.53 H new ATOM 3427 N ARG B 105 11.382 6.729 -13.492 1.00 22.54 N ATOM 3428 CA ARG B 105 11.415 7.796 -12.506 1.00 5.23 C ATOM 3429 C ARG B 105 12.252 7.407 -11.314 1.00 50.11 C ATOM 3430 O ARG B 105 12.439 6.220 -11.041 1.00 24.04 O ATOM 3431 CB ARG B 105 9.991 8.205 -12.097 1.00 54.33 C ATOM 3432 CG ARG B 105 9.153 7.096 -11.494 1.00 71.11 C ATOM 3433 CD ARG B 105 7.705 7.528 -11.356 1.00 33.43 C ATOM 3434 NE ARG B 105 7.506 8.659 -10.449 1.00 5.21 N ATOM 3435 CZ ARG B 105 6.828 9.780 -10.751 1.00 11.11 C ATOM 3436 NH1 ARG B 105 6.394 10.001 -11.990 1.00 34.54 N ATOM 3437 NH2 ARG B 105 6.605 10.687 -9.824 1.00 32.35 N ATOM 0 H ARG B 105 11.257 5.792 -13.109 1.00 22.54 H new ATOM 0 HA ARG B 105 11.888 8.667 -12.960 1.00 5.23 H new ATOM 0 HB2 ARG B 105 10.056 9.022 -11.378 1.00 54.33 H new ATOM 0 HB3 ARG B 105 9.475 8.593 -12.975 1.00 54.33 H new ATOM 0 HG2 ARG B 105 9.213 6.207 -12.121 1.00 71.11 H new ATOM 0 HG3 ARG B 105 9.551 6.824 -10.516 1.00 71.11 H new ATOM 0 HD2 ARG B 105 7.320 7.793 -12.341 1.00 33.43 H new ATOM 0 HD3 ARG B 105 7.116 6.682 -11.001 1.00 33.43 H new ATOM 0 HE ARG B 105 7.913 8.592 -9.516 1.00 5.21 H new ATOM 0 HH11 ARG B 105 6.575 9.316 -12.724 1.00 34.54 H new ATOM 0 HH12 ARG B 105 5.881 10.856 -12.206 1.00 34.54 H new ATOM 0 HH21 ARG B 105 6.947 10.540 -8.874 1.00 32.35 H new ATOM 0 HH22 ARG B 105 6.090 11.537 -10.055 1.00 32.35 H new ATOM 3451 N THR B 106 12.758 8.389 -10.623 1.00 60.30 N ATOM 3452 CA THR B 106 13.584 8.159 -9.477 1.00 54.31 C ATOM 3453 C THR B 106 12.701 7.806 -8.298 1.00 40.31 C ATOM 3454 O THR B 106 11.796 8.551 -7.955 1.00 51.34 O ATOM 3455 CB THR B 106 14.401 9.426 -9.139 1.00 15.45 C ATOM 3456 OG1 THR B 106 15.147 9.840 -10.301 1.00 61.45 O ATOM 3457 CG2 THR B 106 15.375 9.160 -7.989 1.00 63.14 C ATOM 0 H THR B 106 12.607 9.374 -10.841 1.00 60.30 H new ATOM 0 HA THR B 106 14.273 7.342 -9.692 1.00 54.31 H new ATOM 0 HB THR B 106 13.707 10.210 -8.836 1.00 15.45 H new ATOM 0 HG1 THR B 106 15.664 10.645 -10.088 1.00 61.45 H new ATOM 0 HG21 THR B 106 15.938 10.068 -7.771 1.00 63.14 H new ATOM 0 HG22 THR B 106 14.817 8.857 -7.103 1.00 63.14 H new ATOM 0 HG23 THR B 106 16.065 8.365 -8.273 1.00 63.14 H new ATOM 3465 N ILE B 107 12.940 6.689 -7.700 1.00 52.32 N ATOM 3466 CA ILE B 107 12.157 6.304 -6.560 1.00 13.13 C ATOM 3467 C ILE B 107 12.931 6.573 -5.302 1.00 51.14 C ATOM 3468 O ILE B 107 14.109 6.929 -5.350 1.00 52.42 O ATOM 3469 CB ILE B 107 11.749 4.799 -6.591 1.00 23.11 C ATOM 3470 CG1 ILE B 107 12.999 3.885 -6.588 1.00 4.31 C ATOM 3471 CG2 ILE B 107 10.857 4.515 -7.799 1.00 74.51 C ATOM 3472 CD1 ILE B 107 12.689 2.397 -6.510 1.00 53.40 C ATOM 0 H ILE B 107 13.665 6.025 -7.974 1.00 52.32 H new ATOM 0 HA ILE B 107 11.242 6.896 -6.587 1.00 13.13 H new ATOM 0 HB ILE B 107 11.179 4.577 -5.689 1.00 23.11 H new ATOM 0 HG12 ILE B 107 13.576 4.077 -7.492 1.00 4.31 H new ATOM 0 HG13 ILE B 107 13.631 4.157 -5.743 1.00 4.31 H new ATOM 0 HG21 ILE B 107 10.580 3.461 -7.807 1.00 74.51 H new ATOM 0 HG22 ILE B 107 9.956 5.126 -7.738 1.00 74.51 H new ATOM 0 HG23 ILE B 107 11.397 4.755 -8.715 1.00 74.51 H new ATOM 0 HD11 ILE B 107 13.620 1.831 -6.513 1.00 53.40 H new ATOM 0 HD12 ILE B 107 12.140 2.187 -5.592 1.00 53.40 H new ATOM 0 HD13 ILE B 107 12.084 2.106 -7.369 1.00 53.40 H new ATOM 3484 N LYS B 108 12.269 6.432 -4.195 1.00 55.00 N ATOM 3485 CA LYS B 108 12.850 6.664 -2.915 1.00 31.23 C ATOM 3486 C LYS B 108 12.654 5.402 -2.110 1.00 0.13 C ATOM 3487 O LYS B 108 11.583 4.783 -2.194 1.00 52.14 O ATOM 3488 CB LYS B 108 12.143 7.890 -2.237 1.00 54.55 C ATOM 3489 CG LYS B 108 12.671 8.302 -0.850 1.00 3.33 C ATOM 3490 CD LYS B 108 14.138 8.610 -0.906 1.00 22.51 C ATOM 3491 CE LYS B 108 14.702 9.056 0.429 1.00 34.22 C ATOM 3492 NZ LYS B 108 16.146 9.379 0.337 1.00 11.50 N ATOM 0 H LYS B 108 11.290 6.147 -4.159 1.00 55.00 H new ATOM 0 HA LYS B 108 13.912 6.898 -2.987 1.00 31.23 H new ATOM 0 HB2 LYS B 108 12.230 8.747 -2.905 1.00 54.55 H new ATOM 0 HB3 LYS B 108 11.081 7.664 -2.145 1.00 54.55 H new ATOM 0 HG2 LYS B 108 12.125 9.176 -0.493 1.00 3.33 H new ATOM 0 HG3 LYS B 108 12.491 7.500 -0.135 1.00 3.33 H new ATOM 0 HD2 LYS B 108 14.677 7.725 -1.244 1.00 22.51 H new ATOM 0 HD3 LYS B 108 14.312 9.391 -1.646 1.00 22.51 H new ATOM 0 HE2 LYS B 108 14.156 9.931 0.780 1.00 34.22 H new ATOM 0 HE3 LYS B 108 14.552 8.269 1.168 1.00 34.22 H new ATOM 0 HZ1 LYS B 108 16.495 9.680 1.270 1.00 11.50 H new ATOM 0 HZ2 LYS B 108 16.671 8.537 0.026 1.00 11.50 H new ATOM 0 HZ3 LYS B 108 16.287 10.147 -0.349 1.00 11.50 H new ATOM 3506 N VAL B 109 13.658 4.981 -1.383 1.00 10.05 N ATOM 3507 CA VAL B 109 13.523 3.838 -0.493 1.00 55.45 C ATOM 3508 C VAL B 109 13.999 4.272 0.894 1.00 65.05 C ATOM 3509 O VAL B 109 15.125 4.744 1.044 1.00 12.21 O ATOM 3510 CB VAL B 109 14.355 2.591 -0.965 1.00 35.35 C ATOM 3511 CG1 VAL B 109 14.055 1.371 -0.104 1.00 65.43 C ATOM 3512 CG2 VAL B 109 14.099 2.270 -2.432 1.00 14.25 C ATOM 0 H VAL B 109 14.584 5.409 -1.385 1.00 10.05 H new ATOM 0 HA VAL B 109 12.478 3.529 -0.487 1.00 55.45 H new ATOM 0 HB VAL B 109 15.408 2.848 -0.850 1.00 35.35 H new ATOM 0 HG11 VAL B 109 14.645 0.524 -0.455 1.00 65.43 H new ATOM 0 HG12 VAL B 109 14.310 1.586 0.934 1.00 65.43 H new ATOM 0 HG13 VAL B 109 12.995 1.128 -0.174 1.00 65.43 H new ATOM 0 HG21 VAL B 109 14.691 1.402 -2.723 1.00 14.25 H new ATOM 0 HG22 VAL B 109 13.041 2.053 -2.578 1.00 14.25 H new ATOM 0 HG23 VAL B 109 14.382 3.125 -3.046 1.00 14.25 H new ATOM 3522 N LEU B 110 13.151 4.147 1.876 1.00 71.50 N ATOM 3523 CA LEU B 110 13.484 4.503 3.243 1.00 44.20 C ATOM 3524 C LEU B 110 13.324 3.306 4.117 1.00 73.43 C ATOM 3525 O LEU B 110 12.513 2.455 3.825 1.00 45.53 O ATOM 3526 CB LEU B 110 12.544 5.593 3.794 1.00 1.25 C ATOM 3527 CG LEU B 110 12.689 6.998 3.255 1.00 55.23 C ATOM 3528 CD1 LEU B 110 11.600 7.906 3.866 1.00 41.43 C ATOM 3529 CD2 LEU B 110 14.076 7.526 3.618 1.00 74.00 C ATOM 0 H LEU B 110 12.201 3.794 1.759 1.00 71.50 H new ATOM 0 HA LEU B 110 14.509 4.872 3.241 1.00 44.20 H new ATOM 0 HB2 LEU B 110 11.518 5.271 3.614 1.00 1.25 H new ATOM 0 HB3 LEU B 110 12.680 5.635 4.875 1.00 1.25 H new ATOM 0 HG LEU B 110 12.572 6.993 2.171 1.00 55.23 H new ATOM 0 HD11 LEU B 110 11.708 8.918 3.475 1.00 41.43 H new ATOM 0 HD12 LEU B 110 10.615 7.519 3.605 1.00 41.43 H new ATOM 0 HD13 LEU B 110 11.707 7.923 4.951 1.00 41.43 H new ATOM 0 HD21 LEU B 110 14.192 8.539 3.234 1.00 74.00 H new ATOM 0 HD22 LEU B 110 14.190 7.534 4.702 1.00 74.00 H new ATOM 0 HD23 LEU B 110 14.837 6.882 3.178 1.00 74.00 H new ATOM 3541 N PRO B 111 14.087 3.203 5.180 1.00 75.01 N ATOM 3542 CA PRO B 111 13.867 2.192 6.172 1.00 73.24 C ATOM 3543 C PRO B 111 12.763 2.670 7.098 1.00 40.05 C ATOM 3544 O PRO B 111 12.760 3.830 7.507 1.00 33.30 O ATOM 3545 CB PRO B 111 15.192 2.117 6.938 1.00 73.43 C ATOM 3546 CG PRO B 111 16.071 3.179 6.356 1.00 74.30 C ATOM 3547 CD PRO B 111 15.221 4.057 5.508 1.00 5.24 C ATOM 0 HA PRO B 111 13.578 1.227 5.757 1.00 73.24 H new ATOM 0 HB2 PRO B 111 15.035 2.282 8.004 1.00 73.43 H new ATOM 0 HB3 PRO B 111 15.648 1.133 6.832 1.00 73.43 H new ATOM 0 HG2 PRO B 111 16.547 3.757 7.148 1.00 74.30 H new ATOM 0 HG3 PRO B 111 16.869 2.732 5.763 1.00 74.30 H new ATOM 0 HD2 PRO B 111 14.909 4.954 6.043 1.00 5.24 H new ATOM 0 HD3 PRO B 111 15.749 4.387 4.613 1.00 5.24 H new ATOM 3555 N LYS B 112 11.832 1.815 7.420 1.00 74.24 N ATOM 3556 CA LYS B 112 10.749 2.233 8.285 1.00 32.50 C ATOM 3557 C LYS B 112 11.269 2.364 9.736 1.00 54.33 C ATOM 3558 O LYS B 112 10.780 3.187 10.521 1.00 12.31 O ATOM 3559 CB LYS B 112 9.559 1.253 8.191 1.00 2.44 C ATOM 3560 CG LYS B 112 8.326 1.685 8.997 1.00 53.40 C ATOM 3561 CD LYS B 112 7.260 0.588 9.093 1.00 42.32 C ATOM 3562 CE LYS B 112 6.671 0.186 7.756 1.00 44.23 C ATOM 3563 NZ LYS B 112 5.742 -0.966 7.914 1.00 52.22 N ATOM 0 H LYS B 112 11.794 0.845 7.108 1.00 74.24 H new ATOM 0 HA LYS B 112 10.384 3.207 7.960 1.00 32.50 H new ATOM 0 HB2 LYS B 112 9.275 1.142 7.144 1.00 2.44 H new ATOM 0 HB3 LYS B 112 9.882 0.272 8.539 1.00 2.44 H new ATOM 0 HG2 LYS B 112 8.637 1.971 10.002 1.00 53.40 H new ATOM 0 HG3 LYS B 112 7.888 2.570 8.535 1.00 53.40 H new ATOM 0 HD2 LYS B 112 7.699 -0.291 9.565 1.00 42.32 H new ATOM 0 HD3 LYS B 112 6.457 0.932 9.744 1.00 42.32 H new ATOM 0 HE2 LYS B 112 6.139 1.031 7.319 1.00 44.23 H new ATOM 0 HE3 LYS B 112 7.472 -0.078 7.065 1.00 44.23 H new ATOM 0 HZ1 LYS B 112 4.954 -0.871 7.242 1.00 52.22 H new ATOM 0 HZ2 LYS B 112 6.253 -1.852 7.726 1.00 52.22 H new ATOM 0 HZ3 LYS B 112 5.369 -0.981 8.885 1.00 52.22 H new ATOM 3577 N ARG B 113 12.287 1.575 10.059 1.00 62.32 N ATOM 3578 CA ARG B 113 12.882 1.592 11.384 1.00 40.02 C ATOM 3579 C ARG B 113 14.376 1.967 11.375 1.00 40.31 C ATOM 3580 O ARG B 113 14.734 3.091 11.654 1.00 34.03 O ATOM 3581 CB ARG B 113 12.673 0.244 12.083 1.00 21.55 C ATOM 3582 CG ARG B 113 13.420 0.067 13.412 1.00 72.15 C ATOM 3583 CD ARG B 113 13.015 1.063 14.485 1.00 13.01 C ATOM 3584 NE ARG B 113 11.652 0.851 14.947 1.00 34.14 N ATOM 3585 CZ ARG B 113 11.277 0.885 16.233 1.00 62.35 C ATOM 3586 NH1 ARG B 113 12.168 1.159 17.192 1.00 13.40 N ATOM 3587 NH2 ARG B 113 10.017 0.661 16.561 1.00 60.15 N ATOM 0 H ARG B 113 12.718 0.912 9.414 1.00 62.32 H new ATOM 0 HA ARG B 113 12.369 2.375 11.943 1.00 40.02 H new ATOM 0 HB2 ARG B 113 11.607 0.110 12.265 1.00 21.55 H new ATOM 0 HB3 ARG B 113 12.983 -0.550 11.403 1.00 21.55 H new ATOM 0 HG2 ARG B 113 13.246 -0.943 13.783 1.00 72.15 H new ATOM 0 HG3 ARG B 113 14.491 0.159 13.230 1.00 72.15 H new ATOM 0 HD2 ARG B 113 13.699 0.983 15.330 1.00 13.01 H new ATOM 0 HD3 ARG B 113 13.110 2.075 14.093 1.00 13.01 H new ATOM 0 HE ARG B 113 10.935 0.664 14.246 1.00 34.14 H new ATOM 0 HH11 ARG B 113 13.141 1.344 16.947 1.00 13.40 H new ATOM 0 HH12 ARG B 113 11.875 1.183 18.169 1.00 13.40 H new ATOM 0 HH21 ARG B 113 9.329 0.462 15.835 1.00 60.15 H new ATOM 0 HH22 ARG B 113 9.733 0.687 17.540 1.00 60.15 H new ATOM 3601 N THR B 114 15.229 1.028 11.041 1.00 20.50 N ATOM 3602 CA THR B 114 16.645 1.229 11.165 1.00 13.11 C ATOM 3603 C THR B 114 17.383 1.042 9.871 1.00 65.42 C ATOM 3604 O THR B 114 17.065 0.163 9.069 1.00 70.32 O ATOM 3605 CB THR B 114 17.238 0.304 12.256 1.00 53.41 C ATOM 3606 OG1 THR B 114 16.643 -0.998 12.165 1.00 72.33 O ATOM 3607 CG2 THR B 114 17.067 0.875 13.661 1.00 53.35 C ATOM 0 H THR B 114 14.960 0.113 10.679 1.00 20.50 H new ATOM 0 HA THR B 114 16.780 2.270 11.459 1.00 13.11 H new ATOM 0 HB THR B 114 18.310 0.229 12.076 1.00 53.41 H new ATOM 0 HG1 THR B 114 17.023 -1.580 12.856 1.00 72.33 H new ATOM 0 HG21 THR B 114 17.500 0.188 14.388 1.00 53.35 H new ATOM 0 HG22 THR B 114 17.573 1.838 13.726 1.00 53.35 H new ATOM 0 HG23 THR B 114 16.006 1.007 13.873 1.00 53.35 H new ATOM 3615 N ASN B 115 18.327 1.896 9.653 1.00 23.30 N ATOM 3616 CA ASN B 115 19.209 1.804 8.518 1.00 44.20 C ATOM 3617 C ASN B 115 20.578 1.358 9.010 1.00 42.41 C ATOM 3618 O ASN B 115 21.401 0.866 8.252 1.00 70.54 O ATOM 3619 CB ASN B 115 19.281 3.162 7.835 1.00 11.44 C ATOM 3620 CG ASN B 115 20.120 3.184 6.567 1.00 1.23 C ATOM 3621 OD1 ASN B 115 19.615 2.948 5.485 1.00 63.43 O ATOM 3622 ND2 ASN B 115 21.387 3.499 6.693 1.00 20.33 N ATOM 0 H ASN B 115 18.517 2.692 10.262 1.00 23.30 H new ATOM 0 HA ASN B 115 18.842 1.078 7.792 1.00 44.20 H new ATOM 0 HB2 ASN B 115 18.269 3.487 7.592 1.00 11.44 H new ATOM 0 HB3 ASN B 115 19.689 3.888 8.539 1.00 11.44 H new ATOM 0 HD21 ASN B 115 21.984 3.553 5.867 1.00 20.33 H new ATOM 0 HD22 ASN B 115 21.776 3.690 7.616 1.00 20.33 H new ATOM 3629 N MET B 116 20.791 1.526 10.307 1.00 2.54 N ATOM 3630 CA MET B 116 22.013 1.107 10.951 1.00 44.25 C ATOM 3631 C MET B 116 21.890 -0.368 11.306 1.00 30.53 C ATOM 3632 O MET B 116 21.004 -0.740 12.071 1.00 42.33 O ATOM 3633 CB MET B 116 22.254 1.926 12.228 1.00 11.44 C ATOM 3634 CG MET B 116 23.526 1.537 12.978 1.00 22.23 C ATOM 3635 SD MET B 116 23.777 2.485 14.499 1.00 41.21 S ATOM 3636 CE MET B 116 23.891 4.159 13.855 1.00 73.31 C ATOM 0 H MET B 116 20.116 1.958 10.938 1.00 2.54 H new ATOM 0 HA MET B 116 22.854 1.266 10.276 1.00 44.25 H new ATOM 0 HB2 MET B 116 22.306 2.983 11.966 1.00 11.44 H new ATOM 0 HB3 MET B 116 21.399 1.804 12.893 1.00 11.44 H new ATOM 0 HG2 MET B 116 23.486 0.475 13.222 1.00 22.23 H new ATOM 0 HG3 MET B 116 24.385 1.681 12.322 1.00 22.23 H new ATOM 0 HE1 MET B 116 24.354 4.805 14.601 1.00 73.31 H new ATOM 0 HE2 MET B 116 24.496 4.160 12.948 1.00 73.31 H new ATOM 0 HE3 MET B 116 22.892 4.529 13.625 1.00 73.31 H new ATOM 3646 N PRO B 117 22.747 -1.225 10.745 1.00 11.21 N ATOM 3647 CA PRO B 117 22.674 -2.653 10.980 1.00 51.20 C ATOM 3648 C PRO B 117 23.326 -3.092 12.295 1.00 73.34 C ATOM 3649 O PRO B 117 22.641 -3.510 13.236 1.00 31.15 O ATOM 3650 CB PRO B 117 23.417 -3.270 9.787 1.00 74.31 C ATOM 3651 CG PRO B 117 23.982 -2.125 8.999 1.00 0.41 C ATOM 3652 CD PRO B 117 23.833 -0.885 9.825 1.00 15.03 C ATOM 0 HA PRO B 117 21.636 -2.974 11.068 1.00 51.20 H new ATOM 0 HB2 PRO B 117 24.210 -3.936 10.126 1.00 74.31 H new ATOM 0 HB3 PRO B 117 22.740 -3.866 9.175 1.00 74.31 H new ATOM 0 HG2 PRO B 117 25.031 -2.304 8.764 1.00 0.41 H new ATOM 0 HG3 PRO B 117 23.456 -2.018 8.050 1.00 0.41 H new ATOM 0 HD2 PRO B 117 24.752 -0.644 10.359 1.00 15.03 H new ATOM 0 HD3 PRO B 117 23.584 -0.019 9.211 1.00 15.03 H new ATOM 3660 N GLY B 118 24.645 -2.994 12.356 1.00 51.42 N ATOM 3661 CA GLY B 118 25.366 -3.428 13.524 1.00 55.55 C ATOM 3662 C GLY B 118 25.566 -4.930 13.511 1.00 20.04 C ATOM 3663 O GLY B 118 25.646 -5.564 14.565 1.00 73.41 O ATOM 0 H GLY B 118 25.229 -2.618 11.609 1.00 51.42 H new ATOM 0 HA2 GLY B 118 26.334 -2.929 13.565 1.00 55.55 H new ATOM 0 HA3 GLY B 118 24.820 -3.138 14.422 1.00 55.55 H new ATOM 3667 N ILE B 119 25.655 -5.498 12.303 1.00 54.53 N ATOM 3668 CA ILE B 119 25.810 -6.951 12.115 1.00 10.34 C ATOM 3669 C ILE B 119 27.057 -7.449 12.841 1.00 23.34 C ATOM 3670 O ILE B 119 27.029 -8.485 13.516 1.00 23.33 O ATOM 3671 CB ILE B 119 25.903 -7.331 10.601 1.00 32.30 C ATOM 3672 CG1 ILE B 119 24.649 -6.862 9.854 1.00 10.41 C ATOM 3673 CG2 ILE B 119 26.083 -8.843 10.431 1.00 44.40 C ATOM 3674 CD1 ILE B 119 24.664 -7.142 8.364 1.00 75.43 C ATOM 0 H ILE B 119 25.622 -4.970 11.431 1.00 54.53 H new ATOM 0 HA ILE B 119 24.925 -7.430 12.534 1.00 10.34 H new ATOM 0 HB ILE B 119 26.773 -6.830 10.177 1.00 32.30 H new ATOM 0 HG12 ILE B 119 23.777 -7.347 10.293 1.00 10.41 H new ATOM 0 HG13 ILE B 119 24.529 -5.790 10.008 1.00 10.41 H new ATOM 0 HG21 ILE B 119 26.145 -9.085 9.370 1.00 44.40 H new ATOM 0 HG22 ILE B 119 26.999 -9.159 10.930 1.00 44.40 H new ATOM 0 HG23 ILE B 119 25.232 -9.363 10.872 1.00 44.40 H new ATOM 0 HD11 ILE B 119 23.740 -6.778 7.916 1.00 75.43 H new ATOM 0 HD12 ILE B 119 25.514 -6.635 7.907 1.00 75.43 H new ATOM 0 HD13 ILE B 119 24.750 -8.216 8.196 1.00 75.43 H new ATOM 3686 N SER B 120 28.149 -6.695 12.685 1.00 73.22 N ATOM 3687 CA SER B 120 29.438 -6.959 13.334 1.00 32.05 C ATOM 3688 C SER B 120 30.090 -8.248 12.796 1.00 45.22 C ATOM 3689 O SER B 120 31.139 -8.692 13.276 1.00 23.31 O ATOM 3690 CB SER B 120 29.249 -7.003 14.857 1.00 3.43 C ATOM 3691 OG SER B 120 28.562 -5.822 15.299 1.00 50.55 O ATOM 0 H SER B 120 28.163 -5.866 12.091 1.00 73.22 H new ATOM 0 HA SER B 120 30.125 -6.146 13.096 1.00 32.05 H new ATOM 0 HB2 SER B 120 28.681 -7.890 15.136 1.00 3.43 H new ATOM 0 HB3 SER B 120 30.218 -7.077 15.350 1.00 3.43 H new ATOM 0 HG SER B 120 27.622 -5.869 15.027 1.00 50.55 H new ATOM 3697 N SER B 121 29.495 -8.798 11.771 1.00 63.05 N ATOM 3698 CA SER B 121 29.941 -10.012 11.180 1.00 3.43 C ATOM 3699 C SER B 121 29.971 -9.810 9.664 1.00 34.53 C ATOM 3700 O SER B 121 29.684 -8.703 9.178 1.00 51.42 O ATOM 3701 CB SER B 121 28.991 -11.169 11.593 1.00 71.31 C ATOM 3702 OG SER B 121 29.455 -12.438 11.140 1.00 44.21 O ATOM 0 H SER B 121 28.671 -8.399 11.321 1.00 63.05 H new ATOM 0 HA SER B 121 30.941 -10.278 11.522 1.00 3.43 H new ATOM 0 HB2 SER B 121 28.894 -11.187 12.679 1.00 71.31 H new ATOM 0 HB3 SER B 121 27.997 -10.982 11.187 1.00 71.31 H new ATOM 0 HG SER B 121 28.828 -13.136 11.424 1.00 44.21 H new ATOM 3708 N THR B 122 30.310 -10.829 8.938 1.00 62.35 N ATOM 3709 CA THR B 122 30.391 -10.753 7.513 1.00 34.43 C ATOM 3710 C THR B 122 29.747 -11.998 6.910 1.00 41.34 C ATOM 3711 O THR B 122 29.723 -13.058 7.544 1.00 1.41 O ATOM 3712 CB THR B 122 31.887 -10.617 7.046 1.00 63.40 C ATOM 3713 OG1 THR B 122 31.970 -10.499 5.620 1.00 22.22 O ATOM 3714 CG2 THR B 122 32.726 -11.807 7.497 1.00 55.13 C ATOM 0 H THR B 122 30.540 -11.746 9.321 1.00 62.35 H new ATOM 0 HA THR B 122 29.857 -9.868 7.168 1.00 34.43 H new ATOM 0 HB THR B 122 32.282 -9.713 7.509 1.00 63.40 H new ATOM 0 HG1 THR B 122 32.909 -10.414 5.353 1.00 22.22 H new ATOM 0 HG21 THR B 122 33.753 -11.678 7.156 1.00 55.13 H new ATOM 0 HG22 THR B 122 32.710 -11.872 8.585 1.00 55.13 H new ATOM 0 HG23 THR B 122 32.315 -12.723 7.073 1.00 55.13 H new ATOM 3722 N ASP B 123 29.194 -11.866 5.731 1.00 71.53 N ATOM 3723 CA ASP B 123 28.607 -12.994 5.035 1.00 5.42 C ATOM 3724 C ASP B 123 29.593 -13.446 3.995 1.00 21.15 C ATOM 3725 O ASP B 123 30.260 -12.611 3.367 1.00 73.14 O ATOM 3726 CB ASP B 123 27.279 -12.602 4.387 1.00 20.22 C ATOM 3727 CG ASP B 123 26.586 -13.747 3.674 1.00 42.35 C ATOM 3728 OD1 ASP B 123 26.099 -14.672 4.358 1.00 72.44 O ATOM 3729 OD2 ASP B 123 26.469 -13.702 2.428 1.00 73.42 O ATOM 0 H ASP B 123 29.136 -10.982 5.225 1.00 71.53 H new ATOM 0 HA ASP B 123 28.395 -13.802 5.735 1.00 5.42 H new ATOM 0 HB2 ASP B 123 26.613 -12.208 5.155 1.00 20.22 H new ATOM 0 HB3 ASP B 123 27.457 -11.796 3.674 1.00 20.22 H new ATOM 3734 N ARG B 124 29.728 -14.721 3.819 1.00 1.25 N ATOM 3735 CA ARG B 124 30.715 -15.217 2.913 1.00 32.05 C ATOM 3736 C ARG B 124 30.016 -15.685 1.639 1.00 52.51 C ATOM 3737 O ARG B 124 29.604 -16.856 1.565 1.00 38.29 O ATOM 3738 CB ARG B 124 31.509 -16.351 3.590 1.00 51.01 C ATOM 3739 CG ARG B 124 32.923 -16.571 3.052 1.00 22.25 C ATOM 3740 CD ARG B 124 32.968 -16.968 1.598 1.00 43.53 C ATOM 3741 NE ARG B 124 34.345 -17.082 1.130 1.00 31.12 N ATOM 3742 CZ ARG B 124 34.707 -17.456 -0.092 1.00 44.23 C ATOM 3743 NH1 ARG B 124 33.787 -17.785 -0.991 1.00 1.41 N ATOM 3744 NH2 ARG B 124 35.983 -17.514 -0.411 1.00 25.41 N ATOM 3745 OXT ARG B 124 29.860 -14.865 0.718 1.00 38.29 O ATOM 0 H ARG B 124 29.171 -15.435 4.288 1.00 1.25 H new ATOM 0 HA ARG B 124 31.427 -14.436 2.645 1.00 32.05 H new ATOM 0 HB2 ARG B 124 31.573 -16.140 4.657 1.00 51.01 H new ATOM 0 HB3 ARG B 124 30.948 -17.279 3.482 1.00 51.01 H new ATOM 0 HG2 ARG B 124 33.499 -15.655 3.187 1.00 22.25 H new ATOM 0 HG3 ARG B 124 33.411 -17.345 3.645 1.00 22.25 H new ATOM 0 HD2 ARG B 124 32.454 -17.919 1.461 1.00 43.53 H new ATOM 0 HD3 ARG B 124 32.436 -16.229 0.999 1.00 43.53 H new ATOM 0 HE ARG B 124 35.087 -16.857 1.792 1.00 31.12 H new ATOM 0 HH11 ARG B 124 32.798 -17.751 -0.744 1.00 1.41 H new ATOM 0 HH12 ARG B 124 34.069 -18.072 -1.928 1.00 1.41 H new ATOM 0 HH21 ARG B 124 36.693 -17.272 0.280 1.00 25.41 H new ATOM 0 HH22 ARG B 124 36.262 -17.801 -1.349 1.00 25.41 H new TER 3759 ARG B 124