USER MOD reduce.3.24.130724 H: found=0, std=0, add=1404, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1404 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: A 51 MET CE :methyl -159:sc= -1.16 (180deg=-3.16!) USER MOD Set 1.2: A 169 SER OG : rot 161:sc= -0.485 USER MOD Set 2.1: A 54 THR OG1 : rot 126:sc= 0.538 USER MOD Set 2.2: A 138 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 127 SER OG : rot 180:sc= -0.171 USER MOD Set 4.1: A 124 GLN : amide:sc= 0.00295 K(o=1.1,f=-0.32) USER MOD Set 4.2: A 131 GLN : amide:sc= 1.08 K(o=1.1,f=-0.32) USER MOD Set 5.1: A 96 ASN :FLIP amide:sc= 0.547 F(o=-1.3!,f=1.3) USER MOD Set 5.2: A 99 SER OG : rot 129:sc= 0.799 USER MOD Set 6.1: A 1 GLN N :NH3+ -171:sc= 1.06 (180deg=-0.341) USER MOD Set 6.2: A 4 THR OG1 : rot -125:sc= 1.04 USER MOD Single : A 1 GLN :FLIP amide:sc= -0.0654 F(o=-0.97,f=-0.065) USER MOD Single : A 3 SER OG : rot 22:sc= 0.566 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 6 ASN : amide:sc= -0.97! C(o=-0.97!,f=-3.8!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0264 K(o=-0.026,f=-4!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.099 USER MOD Single : A 28 GLN : amide:sc= -1.36 K(o=-1.4,f=-3.4!) USER MOD Single : A 39 ASN : amide:sc= -0.983 K(o=-0.98,f=-4.1!) USER MOD Single : A 42 GLN : amide:sc= -0.0534 X(o=-0.053,f=-0.071) USER MOD Single : A 43 LYS NZ :NH3+ -123:sc= 1.29 (180deg=0.0543) USER MOD Single : A 46 GLN : amide:sc= -1.7! C(o=-1.7!,f=-7.4!) USER MOD Single : A 47 SER OG : rot 14:sc= 1.44 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -91:sc= -2.21! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.781 X(o=-0.78,f=-0.78) USER MOD Single : A 63 SER OG : rot 42:sc= 0.0307 USER MOD Single : A 64 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 65 ASN : amide:sc= -0.934 K(o=-0.93,f=-1.7) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.34) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.333 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -4.56! C(o=-4.6!,f=-9.2!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -2.31! USER MOD Single : A 98 HIS : no HD1:sc= -0.155 X(o=-0.16,f=-0.025) USER MOD Single : A 100 TYR OH : rot 180:sc= 0.172 USER MOD Single : A 102 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.3) USER MOD Single : A 104 GLN : amide:sc= -1.73! C(o=-1.7!,f=-5.3!) USER MOD Single : A 105 SER OG : rot 0:sc= 0.991 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.858 USER MOD Single : A 109 GLN : amide:sc= -4.8! C(o=-4.8!,f=-4.4!) USER MOD Single : A 113 THR OG1 : rot 177:sc= 1.17 USER MOD Single : A 115 TYR OH : rot 180:sc= 0.0625 USER MOD Single : A 117 GLN : amide:sc= 0.376 X(o=0.38,f=0) USER MOD Single : A 120 MET CE :methyl -145:sc= -0.285 (180deg=-2.59) USER MOD Single : A 126 THR OG1 : rot -170:sc= 0 USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 LYS NZ :NH3+ -162:sc= 1.07 (180deg=0.846) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ -133:sc= 1 (180deg=-1.96!) USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= -0.0874 USER MOD Single : A 142 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.316) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 SER OG : rot 94:sc= 1.23 USER MOD Single : A 157 LYS NZ :NH3+ -148:sc= -0.166 (180deg=-1.51!) USER MOD Single : A 158 SER OG : rot 62:sc= 0.404 USER MOD Single : A 162 LYS NZ :NH3+ 167:sc= -3.49! (180deg=-4.02!) USER MOD Single : A 164 ASN : amide:sc= -0.349 K(o=-0.35,f=-3.8!) USER MOD Single : A 165 ASN :FLIP amide:sc= -0.41 F(o=-0.98,f=-0.41) USER MOD Single : A 172 THR OG1 : rot 180:sc= -0.0661 USER MOD Single : A 174 GLN :FLIP amide:sc= -6.65! C(o=-8.3!,f=-6.6!) USER MOD Single : A 178 ASN : amide:sc= -3.18! C(o=-3.2!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -28.826 5.911 -3.801 1.00 10.05 N ATOM 2 CA GLN A 1 -29.472 5.037 -2.798 1.00 9.53 C ATOM 3 C GLN A 1 -28.764 5.173 -1.452 1.00 8.72 C ATOM 4 O GLN A 1 -28.291 6.257 -1.108 1.00 8.81 O ATOM 5 CB GLN A 1 -29.448 3.584 -3.283 1.00 9.95 C ATOM 6 CG GLN A 1 -30.198 3.376 -4.585 1.00 10.89 C ATOM 7 CD GLN A 1 -31.683 3.668 -4.456 1.00 11.00 C ATOM 8 OE1 GLN A 1 -32.261 3.334 -3.314 1.00 10.82 O flip ATOM 9 NE2 GLN A 1 -32.313 4.156 -5.393 1.00 11.52 N flip ATOM 0 H1 GLN A 1 -29.401 5.930 -4.667 1.00 10.05 H new ATOM 0 H2 GLN A 1 -28.743 6.875 -3.419 1.00 10.05 H new ATOM 0 H3 GLN A 1 -27.879 5.544 -4.023 1.00 10.05 H new ATOM 0 HA GLN A 1 -30.511 5.341 -2.670 1.00 9.53 H new ATOM 0 HB2 GLN A 1 -28.413 3.268 -3.413 1.00 9.95 H new ATOM 0 HB3 GLN A 1 -29.882 2.944 -2.515 1.00 9.95 H new ATOM 0 HG2 GLN A 1 -29.770 4.020 -5.353 1.00 10.89 H new ATOM 0 HG3 GLN A 1 -30.061 2.347 -4.919 1.00 10.89 H new ATOM 0 HE21 GLN A 1 -31.832 4.401 -6.258 1.00 11.52 H new ATOM 0 HE22 GLN A 1 -33.316 4.316 -5.305 1.00 11.52 H new ATOM 20 N ASP A 2 -28.698 4.084 -0.695 1.00 8.19 N ATOM 21 CA ASP A 2 -28.035 4.077 0.599 1.00 7.64 C ATOM 22 C ASP A 2 -26.533 4.044 0.393 1.00 6.86 C ATOM 23 O ASP A 2 -25.943 2.972 0.226 1.00 6.69 O ATOM 24 CB ASP A 2 -28.470 2.869 1.432 1.00 8.16 C ATOM 25 CG ASP A 2 -29.962 2.834 1.689 1.00 8.50 C ATOM 26 OD1 ASP A 2 -30.417 3.462 2.665 1.00 8.87 O ATOM 27 OD2 ASP A 2 -30.686 2.169 0.918 1.00 8.62 O ATOM 0 H ASP A 2 -29.101 3.186 -0.961 1.00 8.19 H new ATOM 0 HA ASP A 2 -28.316 4.981 1.139 1.00 7.64 H new ATOM 0 HB2 ASP A 2 -28.174 1.955 0.918 1.00 8.16 H new ATOM 0 HB3 ASP A 2 -27.943 2.884 2.386 1.00 8.16 H new ATOM 32 N SER A 3 -25.949 5.231 0.365 1.00 6.71 N ATOM 33 CA SER A 3 -24.511 5.436 0.153 1.00 6.26 C ATOM 34 C SER A 3 -24.053 4.796 -1.157 1.00 5.42 C ATOM 35 O SER A 3 -23.595 3.652 -1.192 1.00 5.49 O ATOM 36 CB SER A 3 -23.672 4.951 1.356 1.00 6.98 C ATOM 37 OG SER A 3 -24.000 3.629 1.761 1.00 7.51 O ATOM 0 H SER A 3 -26.465 6.102 0.491 1.00 6.71 H new ATOM 0 HA SER A 3 -24.343 6.510 0.072 1.00 6.26 H new ATOM 0 HB2 SER A 3 -22.614 4.994 1.096 1.00 6.98 H new ATOM 0 HB3 SER A 3 -23.822 5.631 2.195 1.00 6.98 H new ATOM 0 HG SER A 3 -24.429 3.156 1.018 1.00 7.51 H new ATOM 43 N THR A 4 -24.197 5.550 -2.238 1.00 5.01 N ATOM 44 CA THR A 4 -23.898 5.055 -3.572 1.00 4.56 C ATOM 45 C THR A 4 -22.615 5.675 -4.124 1.00 3.84 C ATOM 46 O THR A 4 -22.471 6.900 -4.138 1.00 4.15 O ATOM 47 CB THR A 4 -25.065 5.358 -4.532 1.00 5.23 C ATOM 48 OG1 THR A 4 -26.300 4.920 -3.944 1.00 5.56 O ATOM 49 CG2 THR A 4 -24.866 4.667 -5.874 1.00 5.56 C ATOM 0 H THR A 4 -24.523 6.516 -2.214 1.00 5.01 H new ATOM 0 HA THR A 4 -23.757 3.977 -3.496 1.00 4.56 H new ATOM 0 HB THR A 4 -25.097 6.434 -4.702 1.00 5.23 H new ATOM 0 HG1 THR A 4 -26.758 4.310 -4.560 1.00 5.56 H new ATOM 0 HG21 THR A 4 -25.705 4.899 -6.531 1.00 5.56 H new ATOM 0 HG22 THR A 4 -23.940 5.018 -6.330 1.00 5.56 H new ATOM 0 HG23 THR A 4 -24.810 3.589 -5.723 1.00 5.56 H new ATOM 57 N GLN A 5 -21.706 4.801 -4.585 1.00 3.36 N ATOM 58 CA GLN A 5 -20.406 5.181 -5.175 1.00 3.15 C ATOM 59 C GLN A 5 -19.770 6.380 -4.489 1.00 2.17 C ATOM 60 O GLN A 5 -19.285 7.319 -5.130 1.00 2.51 O ATOM 61 CB GLN A 5 -20.538 5.406 -6.678 1.00 3.99 C ATOM 62 CG GLN A 5 -21.589 6.432 -7.085 1.00 4.99 C ATOM 63 CD GLN A 5 -21.706 6.589 -8.588 1.00 5.91 C ATOM 64 OE1 GLN A 5 -20.731 6.422 -9.322 1.00 6.48 O ATOM 65 NE2 GLN A 5 -22.902 6.910 -9.057 1.00 6.37 N ATOM 0 H GLN A 5 -21.854 3.792 -4.559 1.00 3.36 H new ATOM 0 HA GLN A 5 -19.729 4.343 -5.009 1.00 3.15 H new ATOM 0 HB2 GLN A 5 -19.571 5.723 -7.069 1.00 3.99 H new ATOM 0 HB3 GLN A 5 -20.777 4.455 -7.153 1.00 3.99 H new ATOM 0 HG2 GLN A 5 -22.556 6.135 -6.679 1.00 4.99 H new ATOM 0 HG3 GLN A 5 -21.340 7.396 -6.642 1.00 4.99 H new ATOM 0 HE21 GLN A 5 -23.684 7.039 -8.415 1.00 6.37 H new ATOM 0 HE22 GLN A 5 -23.041 7.028 -10.061 1.00 6.37 H new ATOM 74 N ASN A 6 -19.736 6.302 -3.183 1.00 1.52 N ATOM 75 CA ASN A 6 -19.241 7.378 -2.354 1.00 0.89 C ATOM 76 C ASN A 6 -18.043 6.894 -1.547 1.00 0.78 C ATOM 77 O ASN A 6 -17.662 5.723 -1.613 1.00 1.00 O ATOM 78 CB ASN A 6 -20.354 7.871 -1.417 1.00 1.52 C ATOM 79 CG ASN A 6 -20.001 9.158 -0.695 1.00 2.32 C ATOM 80 OD1 ASN A 6 -19.254 9.988 -1.207 1.00 2.86 O ATOM 81 ND2 ASN A 6 -20.523 9.322 0.509 1.00 3.16 N ATOM 0 H ASN A 6 -20.052 5.486 -2.659 1.00 1.52 H new ATOM 0 HA ASN A 6 -18.927 8.207 -2.988 1.00 0.89 H new ATOM 0 HB2 ASN A 6 -21.265 8.024 -1.995 1.00 1.52 H new ATOM 0 HB3 ASN A 6 -20.570 7.097 -0.681 1.00 1.52 H new ATOM 0 HD21 ASN A 6 -20.309 10.162 1.047 1.00 3.16 H new ATOM 0 HD22 ASN A 6 -21.139 8.609 0.899 1.00 3.16 H new ATOM 88 N LEU A 7 -17.456 7.796 -0.795 1.00 0.58 N ATOM 89 CA LEU A 7 -16.312 7.479 0.036 1.00 0.51 C ATOM 90 C LEU A 7 -16.763 6.969 1.399 1.00 0.45 C ATOM 91 O LEU A 7 -17.764 7.423 1.958 1.00 0.49 O ATOM 92 CB LEU A 7 -15.399 8.713 0.182 1.00 0.52 C ATOM 93 CG LEU A 7 -16.091 9.998 0.652 1.00 0.80 C ATOM 94 CD1 LEU A 7 -16.073 10.104 2.171 1.00 1.73 C ATOM 95 CD2 LEU A 7 -15.442 11.216 0.016 1.00 1.08 C ATOM 0 H LEU A 7 -17.756 8.769 -0.740 1.00 0.58 H new ATOM 0 HA LEU A 7 -15.740 6.686 -0.446 1.00 0.51 H new ATOM 0 HB2 LEU A 7 -14.603 8.472 0.886 1.00 0.52 H new ATOM 0 HB3 LEU A 7 -14.925 8.908 -0.780 1.00 0.52 H new ATOM 0 HG LEU A 7 -17.133 9.959 0.333 1.00 0.80 H new ATOM 0 HD11 LEU A 7 -16.570 11.024 2.477 1.00 1.73 H new ATOM 0 HD12 LEU A 7 -16.595 9.249 2.602 1.00 1.73 H new ATOM 0 HD13 LEU A 7 -15.041 10.114 2.523 1.00 1.73 H new ATOM 0 HD21 LEU A 7 -15.946 12.119 0.361 1.00 1.08 H new ATOM 0 HD22 LEU A 7 -14.390 11.257 0.299 1.00 1.08 H new ATOM 0 HD23 LEU A 7 -15.524 11.147 -1.069 1.00 1.08 H new ATOM 107 N ILE A 8 -16.036 5.987 1.892 1.00 0.43 N ATOM 108 CA ILE A 8 -16.151 5.528 3.260 1.00 0.40 C ATOM 109 C ILE A 8 -15.432 6.538 4.132 1.00 0.40 C ATOM 110 O ILE A 8 -14.794 7.434 3.598 1.00 0.62 O ATOM 111 CB ILE A 8 -15.537 4.090 3.374 1.00 0.41 C ATOM 112 CG1 ILE A 8 -16.648 3.047 3.462 1.00 0.48 C ATOM 113 CG2 ILE A 8 -14.532 3.917 4.523 1.00 0.67 C ATOM 114 CD1 ILE A 8 -16.145 1.628 3.298 1.00 0.47 C ATOM 0 H ILE A 8 -15.340 5.479 1.346 1.00 0.43 H new ATOM 0 HA ILE A 8 -17.189 5.455 3.586 1.00 0.40 H new ATOM 0 HB ILE A 8 -14.958 3.939 2.463 1.00 0.41 H new ATOM 0 HG12 ILE A 8 -17.149 3.139 4.425 1.00 0.48 H new ATOM 0 HG13 ILE A 8 -17.393 3.253 2.694 1.00 0.48 H new ATOM 0 HG21 ILE A 8 -14.158 2.893 4.528 1.00 0.67 H new ATOM 0 HG22 ILE A 8 -13.700 4.607 4.385 1.00 0.67 H new ATOM 0 HG23 ILE A 8 -15.025 4.128 5.472 1.00 0.67 H new ATOM 0 HD11 ILE A 8 -16.983 0.934 3.370 1.00 0.47 H new ATOM 0 HD12 ILE A 8 -15.669 1.521 2.323 1.00 0.47 H new ATOM 0 HD13 ILE A 8 -15.421 1.406 4.082 1.00 0.47 H new ATOM 126 N PRO A 9 -15.633 6.472 5.446 1.00 0.31 N ATOM 127 CA PRO A 9 -14.821 7.167 6.444 1.00 0.28 C ATOM 128 C PRO A 9 -13.374 7.431 5.986 1.00 0.32 C ATOM 129 O PRO A 9 -12.466 6.661 6.297 1.00 0.38 O ATOM 130 CB PRO A 9 -14.844 6.136 7.559 1.00 0.31 C ATOM 131 CG PRO A 9 -16.212 5.529 7.495 1.00 0.35 C ATOM 132 CD PRO A 9 -16.708 5.711 6.083 1.00 0.35 C ATOM 0 HA PRO A 9 -15.194 8.161 6.692 1.00 0.28 H new ATOM 0 HB2 PRO A 9 -14.070 5.382 7.416 1.00 0.31 H new ATOM 0 HB3 PRO A 9 -14.662 6.599 8.529 1.00 0.31 H new ATOM 0 HG2 PRO A 9 -16.178 4.472 7.759 1.00 0.35 H new ATOM 0 HG3 PRO A 9 -16.883 6.013 8.205 1.00 0.35 H new ATOM 0 HD2 PRO A 9 -16.872 4.754 5.587 1.00 0.35 H new ATOM 0 HD3 PRO A 9 -17.655 6.251 6.055 1.00 0.35 H new ATOM 140 N ALA A 10 -13.189 8.509 5.229 1.00 0.36 N ATOM 141 CA ALA A 10 -11.902 8.865 4.650 1.00 0.44 C ATOM 142 C ALA A 10 -11.001 9.536 5.678 1.00 0.42 C ATOM 143 O ALA A 10 -11.278 10.650 6.129 1.00 0.53 O ATOM 144 CB ALA A 10 -12.109 9.776 3.440 1.00 0.62 C ATOM 0 H ALA A 10 -13.936 9.164 5.000 1.00 0.36 H new ATOM 0 HA ALA A 10 -11.407 7.950 4.325 1.00 0.44 H new ATOM 0 HB1 ALA A 10 -11.141 10.038 3.012 1.00 0.62 H new ATOM 0 HB2 ALA A 10 -12.708 9.257 2.692 1.00 0.62 H new ATOM 0 HB3 ALA A 10 -12.626 10.684 3.752 1.00 0.62 H new ATOM 150 N PRO A 11 -9.922 8.850 6.075 1.00 0.35 N ATOM 151 CA PRO A 11 -8.948 9.350 7.025 1.00 0.35 C ATOM 152 C PRO A 11 -7.735 9.973 6.334 1.00 0.39 C ATOM 153 O PRO A 11 -7.308 9.522 5.271 1.00 0.45 O ATOM 154 CB PRO A 11 -8.548 8.077 7.773 1.00 0.35 C ATOM 155 CG PRO A 11 -8.791 6.948 6.815 1.00 0.41 C ATOM 156 CD PRO A 11 -9.562 7.501 5.640 1.00 0.38 C ATOM 0 HA PRO A 11 -9.342 10.142 7.662 1.00 0.35 H new ATOM 0 HB2 PRO A 11 -7.502 8.114 8.077 1.00 0.35 H new ATOM 0 HB3 PRO A 11 -9.139 7.954 8.680 1.00 0.35 H new ATOM 0 HG2 PRO A 11 -7.846 6.517 6.484 1.00 0.41 H new ATOM 0 HG3 PRO A 11 -9.353 6.149 7.299 1.00 0.41 H new ATOM 0 HD2 PRO A 11 -8.956 7.519 4.734 1.00 0.38 H new ATOM 0 HD3 PRO A 11 -10.445 6.901 5.420 1.00 0.38 H new ATOM 164 N PRO A 12 -7.181 11.035 6.923 1.00 0.42 N ATOM 165 CA PRO A 12 -5.980 11.683 6.424 1.00 0.46 C ATOM 166 C PRO A 12 -4.710 10.983 6.890 1.00 0.44 C ATOM 167 O PRO A 12 -4.758 10.133 7.784 1.00 0.41 O ATOM 168 CB PRO A 12 -6.043 13.103 7.010 1.00 0.50 C ATOM 169 CG PRO A 12 -7.258 13.140 7.891 1.00 0.55 C ATOM 170 CD PRO A 12 -7.689 11.715 8.115 1.00 0.48 C ATOM 0 HA PRO A 12 -5.944 11.664 5.335 1.00 0.46 H new ATOM 0 HB2 PRO A 12 -5.142 13.329 7.580 1.00 0.50 H new ATOM 0 HB3 PRO A 12 -6.114 13.848 6.218 1.00 0.50 H new ATOM 0 HG2 PRO A 12 -7.031 13.627 8.839 1.00 0.55 H new ATOM 0 HG3 PRO A 12 -8.057 13.714 7.421 1.00 0.55 H new ATOM 0 HD2 PRO A 12 -7.263 11.302 9.029 1.00 0.48 H new ATOM 0 HD3 PRO A 12 -8.772 11.628 8.200 1.00 0.48 H new ATOM 178 N LEU A 13 -3.591 11.344 6.275 1.00 0.50 N ATOM 179 CA LEU A 13 -2.263 10.856 6.670 1.00 0.51 C ATOM 180 C LEU A 13 -2.128 10.925 8.178 1.00 0.49 C ATOM 181 O LEU A 13 -1.633 10.019 8.831 1.00 0.48 O ATOM 182 CB LEU A 13 -1.219 11.783 6.029 1.00 0.61 C ATOM 183 CG LEU A 13 0.243 11.304 5.995 1.00 0.60 C ATOM 184 CD1 LEU A 13 0.801 11.121 7.395 1.00 0.50 C ATOM 185 CD2 LEU A 13 0.376 10.020 5.189 1.00 0.74 C ATOM 0 H LEU A 13 -3.572 11.987 5.483 1.00 0.50 H new ATOM 0 HA LEU A 13 -2.121 9.825 6.346 1.00 0.51 H new ATOM 0 HB2 LEU A 13 -1.531 11.979 5.003 1.00 0.61 H new ATOM 0 HB3 LEU A 13 -1.247 12.735 6.559 1.00 0.61 H new ATOM 0 HG LEU A 13 0.831 12.079 5.503 1.00 0.60 H new ATOM 0 HD11 LEU A 13 1.835 10.782 7.333 1.00 0.50 H new ATOM 0 HD12 LEU A 13 0.762 12.070 7.929 1.00 0.50 H new ATOM 0 HD13 LEU A 13 0.207 10.379 7.929 1.00 0.50 H new ATOM 0 HD21 LEU A 13 1.419 9.702 5.180 1.00 0.74 H new ATOM 0 HD22 LEU A 13 -0.237 9.241 5.642 1.00 0.74 H new ATOM 0 HD23 LEU A 13 0.042 10.196 4.167 1.00 0.74 H new ATOM 197 N ILE A 14 -2.631 12.001 8.712 1.00 0.52 N ATOM 198 CA ILE A 14 -2.454 12.348 10.101 1.00 0.56 C ATOM 199 C ILE A 14 -3.132 11.344 11.045 1.00 0.54 C ATOM 200 O ILE A 14 -2.984 11.427 12.262 1.00 0.61 O ATOM 201 CB ILE A 14 -3.019 13.758 10.315 1.00 0.66 C ATOM 202 CG1 ILE A 14 -4.552 13.716 10.344 1.00 0.79 C ATOM 203 CG2 ILE A 14 -2.535 14.653 9.177 1.00 0.65 C ATOM 204 CD1 ILE A 14 -5.212 15.060 10.134 1.00 1.05 C ATOM 0 H ILE A 14 -3.187 12.677 8.188 1.00 0.52 H new ATOM 0 HA ILE A 14 -1.391 12.320 10.339 1.00 0.56 H new ATOM 0 HB ILE A 14 -2.673 14.155 11.269 1.00 0.66 H new ATOM 0 HG12 ILE A 14 -4.900 13.028 9.573 1.00 0.79 H new ATOM 0 HG13 ILE A 14 -4.875 13.311 11.303 1.00 0.79 H new ATOM 0 HG21 ILE A 14 -2.928 15.660 9.314 1.00 0.65 H new ATOM 0 HG22 ILE A 14 -1.445 14.685 9.178 1.00 0.65 H new ATOM 0 HG23 ILE A 14 -2.885 14.253 8.225 1.00 0.65 H new ATOM 0 HD11 ILE A 14 -6.295 14.943 10.169 1.00 1.05 H new ATOM 0 HD12 ILE A 14 -4.896 15.747 10.919 1.00 1.05 H new ATOM 0 HD13 ILE A 14 -4.921 15.460 9.163 1.00 1.05 H new ATOM 216 N SER A 15 -3.869 10.392 10.475 1.00 0.46 N ATOM 217 CA SER A 15 -4.533 9.365 11.259 1.00 0.46 C ATOM 218 C SER A 15 -3.609 8.158 11.441 1.00 0.46 C ATOM 219 O SER A 15 -3.849 7.299 12.291 1.00 0.51 O ATOM 220 CB SER A 15 -5.834 8.941 10.566 1.00 0.42 C ATOM 221 OG SER A 15 -6.748 8.371 11.488 1.00 0.92 O ATOM 0 H SER A 15 -4.019 10.315 9.469 1.00 0.46 H new ATOM 0 HA SER A 15 -4.773 9.768 12.243 1.00 0.46 H new ATOM 0 HB2 SER A 15 -6.291 9.806 10.086 1.00 0.42 H new ATOM 0 HB3 SER A 15 -5.611 8.220 9.779 1.00 0.42 H new ATOM 0 HG SER A 15 -7.568 8.112 11.018 1.00 0.92 H new ATOM 227 N VAL A 16 -2.545 8.104 10.646 1.00 0.43 N ATOM 228 CA VAL A 16 -1.601 6.995 10.705 1.00 0.43 C ATOM 229 C VAL A 16 -0.295 7.436 11.375 1.00 0.45 C ATOM 230 O VAL A 16 0.182 8.548 11.150 1.00 0.50 O ATOM 231 CB VAL A 16 -1.315 6.417 9.287 1.00 0.45 C ATOM 232 CG1 VAL A 16 -0.589 7.412 8.386 1.00 0.54 C ATOM 233 CG2 VAL A 16 -0.526 5.119 9.382 1.00 0.45 C ATOM 0 H VAL A 16 -2.315 8.816 9.953 1.00 0.43 H new ATOM 0 HA VAL A 16 -2.054 6.205 11.304 1.00 0.43 H new ATOM 0 HB VAL A 16 -2.284 6.214 8.830 1.00 0.45 H new ATOM 0 HG11 VAL A 16 -0.414 6.959 7.410 1.00 0.54 H new ATOM 0 HG12 VAL A 16 -1.199 8.307 8.266 1.00 0.54 H new ATOM 0 HG13 VAL A 16 0.366 7.682 8.837 1.00 0.54 H new ATOM 0 HG21 VAL A 16 -0.338 4.733 8.380 1.00 0.45 H new ATOM 0 HG22 VAL A 16 0.424 5.306 9.883 1.00 0.45 H new ATOM 0 HG23 VAL A 16 -1.098 4.386 9.951 1.00 0.45 H new ATOM 243 N PRO A 17 0.256 6.595 12.270 1.00 0.46 N ATOM 244 CA PRO A 17 1.562 6.842 12.887 1.00 0.50 C ATOM 245 C PRO A 17 2.706 6.614 11.901 1.00 0.43 C ATOM 246 O PRO A 17 2.508 6.038 10.832 1.00 0.48 O ATOM 247 CB PRO A 17 1.622 5.825 14.027 1.00 0.59 C ATOM 248 CG PRO A 17 0.717 4.722 13.605 1.00 0.53 C ATOM 249 CD PRO A 17 -0.362 5.354 12.767 1.00 0.50 C ATOM 0 HA PRO A 17 1.670 7.873 13.224 1.00 0.50 H new ATOM 0 HB2 PRO A 17 2.639 5.464 14.181 1.00 0.59 H new ATOM 0 HB3 PRO A 17 1.294 6.267 14.968 1.00 0.59 H new ATOM 0 HG2 PRO A 17 1.262 3.970 13.034 1.00 0.53 H new ATOM 0 HG3 PRO A 17 0.290 4.217 14.471 1.00 0.53 H new ATOM 0 HD2 PRO A 17 -0.664 4.702 11.947 1.00 0.50 H new ATOM 0 HD3 PRO A 17 -1.256 5.561 13.356 1.00 0.50 H new ATOM 257 N LEU A 18 3.901 7.046 12.275 1.00 0.42 N ATOM 258 CA LEU A 18 5.047 7.000 11.380 1.00 0.38 C ATOM 259 C LEU A 18 6.198 6.219 12.003 1.00 0.33 C ATOM 260 O LEU A 18 6.308 6.135 13.226 1.00 0.35 O ATOM 261 CB LEU A 18 5.498 8.425 11.043 1.00 0.46 C ATOM 262 CG LEU A 18 6.745 8.531 10.161 1.00 0.63 C ATOM 263 CD1 LEU A 18 6.546 7.765 8.864 1.00 1.15 C ATOM 264 CD2 LEU A 18 7.072 9.990 9.878 1.00 1.07 C ATOM 0 H LEU A 18 4.103 7.434 13.197 1.00 0.42 H new ATOM 0 HA LEU A 18 4.749 6.489 10.465 1.00 0.38 H new ATOM 0 HB2 LEU A 18 4.677 8.939 10.544 1.00 0.46 H new ATOM 0 HB3 LEU A 18 5.687 8.957 11.975 1.00 0.46 H new ATOM 0 HG LEU A 18 7.586 8.087 10.694 1.00 0.63 H new ATOM 0 HD11 LEU A 18 7.442 7.851 8.249 1.00 1.15 H new ATOM 0 HD12 LEU A 18 6.358 6.715 9.087 1.00 1.15 H new ATOM 0 HD13 LEU A 18 5.694 8.179 8.324 1.00 1.15 H new ATOM 0 HD21 LEU A 18 7.961 10.048 9.250 1.00 1.07 H new ATOM 0 HD22 LEU A 18 6.233 10.458 9.363 1.00 1.07 H new ATOM 0 HD23 LEU A 18 7.257 10.510 10.818 1.00 1.07 H new ATOM 276 N GLN A 19 7.036 5.636 11.150 1.00 0.36 N ATOM 277 CA GLN A 19 8.236 4.932 11.588 1.00 0.47 C ATOM 278 C GLN A 19 9.297 5.955 12.010 1.00 0.62 C ATOM 279 O GLN A 19 9.819 6.694 11.173 1.00 0.68 O ATOM 280 CB GLN A 19 8.771 4.039 10.446 1.00 0.49 C ATOM 281 CG GLN A 19 9.594 2.845 10.914 1.00 1.04 C ATOM 282 CD GLN A 19 11.092 3.102 10.954 1.00 2.08 C ATOM 283 OE1 GLN A 19 11.546 4.221 11.152 1.00 2.68 O ATOM 284 NE2 GLN A 19 11.874 2.047 10.770 1.00 2.93 N ATOM 0 H GLN A 19 6.902 5.639 10.139 1.00 0.36 H new ATOM 0 HA GLN A 19 7.996 4.295 12.439 1.00 0.47 H new ATOM 0 HB2 GLN A 19 7.927 3.676 9.859 1.00 0.49 H new ATOM 0 HB3 GLN A 19 9.383 4.648 9.781 1.00 0.49 H new ATOM 0 HG2 GLN A 19 9.259 2.554 11.910 1.00 1.04 H new ATOM 0 HG3 GLN A 19 9.398 2.001 10.253 1.00 1.04 H new ATOM 0 HE21 GLN A 19 11.461 1.128 10.607 1.00 2.93 H new ATOM 0 HE22 GLN A 19 12.888 2.154 10.791 1.00 2.93 H new ATOM 293 N PRO A 20 9.606 6.039 13.316 1.00 0.92 N ATOM 294 CA PRO A 20 10.598 6.976 13.837 1.00 1.20 C ATOM 295 C PRO A 20 12.018 6.489 13.583 1.00 1.19 C ATOM 296 O PRO A 20 12.329 5.316 13.800 1.00 1.36 O ATOM 297 CB PRO A 20 10.313 7.026 15.345 1.00 1.58 C ATOM 298 CG PRO A 20 9.113 6.160 15.568 1.00 1.65 C ATOM 299 CD PRO A 20 9.025 5.235 14.390 1.00 1.15 C ATOM 0 HA PRO A 20 10.527 7.951 13.355 1.00 1.20 H new ATOM 0 HB2 PRO A 20 11.168 6.663 15.916 1.00 1.58 H new ATOM 0 HB3 PRO A 20 10.123 8.048 15.672 1.00 1.58 H new ATOM 0 HG2 PRO A 20 9.209 5.597 16.496 1.00 1.65 H new ATOM 0 HG3 PRO A 20 8.210 6.764 15.654 1.00 1.65 H new ATOM 0 HD2 PRO A 20 9.583 4.313 14.555 1.00 1.15 H new ATOM 0 HD3 PRO A 20 7.995 4.950 14.173 1.00 1.15 H new ATOM 307 N GLY A 21 12.880 7.393 13.144 1.00 1.32 N ATOM 308 CA GLY A 21 14.216 7.003 12.752 1.00 1.38 C ATOM 309 C GLY A 21 14.209 6.346 11.392 1.00 1.06 C ATOM 310 O GLY A 21 14.880 5.340 11.168 1.00 1.29 O ATOM 0 H GLY A 21 12.678 8.389 13.053 1.00 1.32 H new ATOM 0 HA2 GLY A 21 14.864 7.879 12.734 1.00 1.38 H new ATOM 0 HA3 GLY A 21 14.630 6.316 13.490 1.00 1.38 H new ATOM 314 N PHE A 22 13.425 6.916 10.492 1.00 0.69 N ATOM 315 CA PHE A 22 13.264 6.385 9.150 1.00 0.51 C ATOM 316 C PHE A 22 14.424 6.816 8.252 1.00 0.51 C ATOM 317 O PHE A 22 14.922 7.938 8.362 1.00 0.68 O ATOM 318 CB PHE A 22 11.926 6.866 8.578 1.00 0.71 C ATOM 319 CG PHE A 22 11.623 6.353 7.202 1.00 1.19 C ATOM 320 CD1 PHE A 22 10.952 5.152 7.022 1.00 0.91 C ATOM 321 CD2 PHE A 22 12.009 7.076 6.085 1.00 2.08 C ATOM 322 CE1 PHE A 22 10.674 4.689 5.759 1.00 1.43 C ATOM 323 CE2 PHE A 22 11.734 6.615 4.816 1.00 2.66 C ATOM 324 CZ PHE A 22 11.066 5.419 4.653 1.00 2.32 C ATOM 0 H PHE A 22 12.882 7.761 10.672 1.00 0.69 H new ATOM 0 HA PHE A 22 13.268 5.296 9.191 1.00 0.51 H new ATOM 0 HB2 PHE A 22 11.125 6.560 9.251 1.00 0.71 H new ATOM 0 HB3 PHE A 22 11.925 7.956 8.555 1.00 0.71 H new ATOM 0 HD1 PHE A 22 10.646 4.576 7.883 1.00 0.91 H new ATOM 0 HD2 PHE A 22 12.532 8.013 6.210 1.00 2.08 H new ATOM 0 HE1 PHE A 22 10.149 3.754 5.630 1.00 1.43 H new ATOM 0 HE2 PHE A 22 12.040 7.187 3.953 1.00 2.66 H new ATOM 0 HZ PHE A 22 10.849 5.053 3.660 1.00 2.32 H new ATOM 334 N TRP A 23 14.846 5.919 7.366 1.00 0.48 N ATOM 335 CA TRP A 23 15.947 6.199 6.449 1.00 0.57 C ATOM 336 C TRP A 23 15.568 5.815 5.023 1.00 0.50 C ATOM 337 O TRP A 23 14.843 4.839 4.824 1.00 0.51 O ATOM 338 CB TRP A 23 17.210 5.422 6.847 1.00 0.78 C ATOM 339 CG TRP A 23 17.706 5.713 8.229 1.00 1.35 C ATOM 340 CD1 TRP A 23 17.289 5.130 9.390 1.00 2.36 C ATOM 341 CD2 TRP A 23 18.725 6.647 8.594 1.00 2.01 C ATOM 342 NE1 TRP A 23 17.977 5.654 10.456 1.00 3.05 N ATOM 343 CE2 TRP A 23 18.864 6.587 9.993 1.00 2.82 C ATOM 344 CE3 TRP A 23 19.530 7.534 7.874 1.00 2.70 C ATOM 345 CZ2 TRP A 23 19.776 7.376 10.685 1.00 3.70 C ATOM 346 CZ3 TRP A 23 20.437 8.316 8.565 1.00 3.72 C ATOM 347 CH2 TRP A 23 20.552 8.233 9.956 1.00 4.03 C ATOM 0 H TRP A 23 14.441 4.989 7.263 1.00 0.48 H new ATOM 0 HA TRP A 23 16.150 7.269 6.503 1.00 0.57 H new ATOM 0 HB2 TRP A 23 17.006 4.354 6.765 1.00 0.78 H new ATOM 0 HB3 TRP A 23 18.002 5.651 6.134 1.00 0.78 H new ATOM 0 HD1 TRP A 23 16.528 4.367 9.460 1.00 2.36 H new ATOM 0 HE1 TRP A 23 17.848 5.391 11.433 1.00 3.05 H new ATOM 0 HE3 TRP A 23 19.445 7.607 6.800 1.00 2.70 H new ATOM 0 HZ2 TRP A 23 19.868 7.314 11.759 1.00 3.70 H new ATOM 0 HZ3 TRP A 23 21.068 9.003 8.021 1.00 3.72 H new ATOM 0 HH2 TRP A 23 21.269 8.859 10.465 1.00 4.03 H new ATOM 358 N THR A 24 16.054 6.576 4.048 1.00 0.50 N ATOM 359 CA THR A 24 15.869 6.251 2.635 1.00 0.47 C ATOM 360 C THR A 24 16.224 4.790 2.337 1.00 0.46 C ATOM 361 O THR A 24 15.424 4.042 1.772 1.00 0.48 O ATOM 362 CB THR A 24 16.740 7.172 1.758 1.00 0.50 C ATOM 363 OG1 THR A 24 17.794 7.747 2.543 1.00 0.58 O ATOM 364 CG2 THR A 24 15.909 8.274 1.124 1.00 0.53 C ATOM 0 H THR A 24 16.585 7.431 4.212 1.00 0.50 H new ATOM 0 HA THR A 24 14.815 6.403 2.403 1.00 0.47 H new ATOM 0 HB THR A 24 17.171 6.568 0.960 1.00 0.50 H new ATOM 0 HG1 THR A 24 18.343 8.329 1.977 1.00 0.58 H new ATOM 0 HG21 THR A 24 16.551 8.907 0.512 1.00 0.53 H new ATOM 0 HG22 THR A 24 15.133 7.831 0.499 1.00 0.53 H new ATOM 0 HG23 THR A 24 15.445 8.876 1.906 1.00 0.53 H new ATOM 372 N GLU A 25 17.420 4.386 2.747 1.00 0.53 N ATOM 373 CA GLU A 25 17.925 3.048 2.460 1.00 0.60 C ATOM 374 C GLU A 25 17.246 1.990 3.336 1.00 0.60 C ATOM 375 O GLU A 25 17.195 0.810 2.981 1.00 0.63 O ATOM 376 CB GLU A 25 19.434 3.012 2.702 1.00 0.71 C ATOM 377 CG GLU A 25 20.085 1.675 2.397 1.00 1.31 C ATOM 378 CD GLU A 25 21.446 1.543 3.044 1.00 1.63 C ATOM 379 OE1 GLU A 25 22.430 2.060 2.468 1.00 1.94 O ATOM 380 OE2 GLU A 25 21.542 0.912 4.117 1.00 1.88 O ATOM 0 H GLU A 25 18.062 4.970 3.283 1.00 0.53 H new ATOM 0 HA GLU A 25 17.703 2.819 1.418 1.00 0.60 H new ATOM 0 HB2 GLU A 25 19.906 3.781 2.090 1.00 0.71 H new ATOM 0 HB3 GLU A 25 19.629 3.269 3.743 1.00 0.71 H new ATOM 0 HG2 GLU A 25 19.439 0.870 2.746 1.00 1.31 H new ATOM 0 HG3 GLU A 25 20.184 1.559 1.318 1.00 1.31 H new ATOM 387 N ARG A 26 16.714 2.418 4.474 1.00 0.64 N ATOM 388 CA ARG A 26 16.198 1.485 5.473 1.00 0.76 C ATOM 389 C ARG A 26 14.824 0.944 5.065 1.00 0.71 C ATOM 390 O ARG A 26 14.313 0.002 5.668 1.00 0.87 O ATOM 391 CB ARG A 26 16.104 2.174 6.838 1.00 0.96 C ATOM 392 CG ARG A 26 16.153 1.216 8.020 1.00 1.62 C ATOM 393 CD ARG A 26 17.567 1.051 8.569 1.00 2.07 C ATOM 394 NE ARG A 26 18.544 0.690 7.538 1.00 2.61 N ATOM 395 CZ ARG A 26 19.249 -0.442 7.537 1.00 3.42 C ATOM 396 NH1 ARG A 26 19.088 -1.330 8.510 1.00 3.88 N ATOM 397 NH2 ARG A 26 20.128 -0.676 6.569 1.00 4.18 N ATOM 0 H ARG A 26 16.628 3.402 4.730 1.00 0.64 H new ATOM 0 HA ARG A 26 16.889 0.645 5.540 1.00 0.76 H new ATOM 0 HB2 ARG A 26 16.921 2.890 6.929 1.00 0.96 H new ATOM 0 HB3 ARG A 26 15.175 2.743 6.883 1.00 0.96 H new ATOM 0 HG2 ARG A 26 15.499 1.583 8.811 1.00 1.62 H new ATOM 0 HG3 ARG A 26 15.768 0.243 7.714 1.00 1.62 H new ATOM 0 HD2 ARG A 26 17.877 1.981 9.045 1.00 2.07 H new ATOM 0 HD3 ARG A 26 17.563 0.283 9.343 1.00 2.07 H new ATOM 0 HE ARG A 26 18.694 1.347 6.772 1.00 2.61 H new ATOM 0 HH11 ARG A 26 18.423 -1.148 9.262 1.00 3.88 H new ATOM 0 HH12 ARG A 26 19.629 -2.195 8.506 1.00 3.88 H new ATOM 0 HH21 ARG A 26 20.264 0.010 5.827 1.00 4.18 H new ATOM 0 HH22 ARG A 26 20.667 -1.542 6.568 1.00 4.18 H new ATOM 411 N PHE A 27 14.237 1.550 4.042 1.00 0.59 N ATOM 412 CA PHE A 27 12.933 1.131 3.538 1.00 0.61 C ATOM 413 C PHE A 27 13.090 0.605 2.109 1.00 0.51 C ATOM 414 O PHE A 27 12.177 0.668 1.292 1.00 0.72 O ATOM 415 CB PHE A 27 11.967 2.326 3.590 1.00 0.71 C ATOM 416 CG PHE A 27 10.494 1.981 3.542 1.00 1.11 C ATOM 417 CD1 PHE A 27 9.787 1.701 4.707 1.00 0.95 C ATOM 418 CD2 PHE A 27 9.811 1.963 2.336 1.00 1.74 C ATOM 419 CE1 PHE A 27 8.436 1.412 4.663 1.00 1.39 C ATOM 420 CE2 PHE A 27 8.460 1.669 2.288 1.00 2.21 C ATOM 421 CZ PHE A 27 7.772 1.393 3.452 1.00 2.03 C ATOM 0 H PHE A 27 14.645 2.339 3.541 1.00 0.59 H new ATOM 0 HA PHE A 27 12.524 0.330 4.154 1.00 0.61 H new ATOM 0 HB2 PHE A 27 12.161 2.887 4.504 1.00 0.71 H new ATOM 0 HB3 PHE A 27 12.193 2.989 2.755 1.00 0.71 H new ATOM 0 HD1 PHE A 27 10.300 1.710 5.657 1.00 0.95 H new ATOM 0 HD2 PHE A 27 10.341 2.182 1.421 1.00 1.74 H new ATOM 0 HE1 PHE A 27 7.899 1.201 5.576 1.00 1.39 H new ATOM 0 HE2 PHE A 27 7.944 1.655 1.339 1.00 2.21 H new ATOM 0 HZ PHE A 27 6.717 1.163 3.416 1.00 2.03 H new ATOM 431 N GLN A 28 14.274 0.087 1.814 1.00 0.40 N ATOM 432 CA GLN A 28 14.580 -0.410 0.480 1.00 0.31 C ATOM 433 C GLN A 28 14.590 -1.931 0.441 1.00 0.30 C ATOM 434 O GLN A 28 15.054 -2.591 1.373 1.00 0.37 O ATOM 435 CB GLN A 28 15.924 0.143 0.000 1.00 0.28 C ATOM 436 CG GLN A 28 16.414 -0.453 -1.312 1.00 0.45 C ATOM 437 CD GLN A 28 17.744 0.121 -1.763 1.00 0.77 C ATOM 438 OE1 GLN A 28 18.008 0.234 -2.959 1.00 1.73 O ATOM 439 NE2 GLN A 28 18.593 0.478 -0.813 1.00 1.23 N ATOM 0 H GLN A 28 15.040 -0.000 2.482 1.00 0.40 H new ATOM 0 HA GLN A 28 13.794 -0.064 -0.192 1.00 0.31 H new ATOM 0 HB2 GLN A 28 15.839 1.224 -0.115 1.00 0.28 H new ATOM 0 HB3 GLN A 28 16.674 -0.038 0.770 1.00 0.28 H new ATOM 0 HG2 GLN A 28 16.510 -1.533 -1.201 1.00 0.45 H new ATOM 0 HG3 GLN A 28 15.667 -0.277 -2.086 1.00 0.45 H new ATOM 0 HE21 GLN A 28 18.336 0.368 0.168 1.00 1.23 H new ATOM 0 HE22 GLN A 28 19.504 0.863 -1.062 1.00 1.23 H new ATOM 448 N GLY A 29 14.070 -2.470 -0.650 1.00 0.29 N ATOM 449 CA GLY A 29 14.070 -3.906 -0.853 1.00 0.32 C ATOM 450 C GLY A 29 12.705 -4.463 -1.189 1.00 0.30 C ATOM 451 O GLY A 29 11.803 -3.727 -1.596 1.00 0.28 O ATOM 0 H GLY A 29 13.644 -1.934 -1.406 1.00 0.29 H new ATOM 0 HA2 GLY A 29 14.763 -4.152 -1.657 1.00 0.32 H new ATOM 0 HA3 GLY A 29 14.442 -4.393 0.048 1.00 0.32 H new ATOM 455 N ARG A 30 12.564 -5.772 -1.025 1.00 0.35 N ATOM 456 CA ARG A 30 11.346 -6.474 -1.402 1.00 0.36 C ATOM 457 C ARG A 30 10.346 -6.512 -0.254 1.00 0.39 C ATOM 458 O ARG A 30 10.634 -7.062 0.808 1.00 0.51 O ATOM 459 CB ARG A 30 11.656 -7.919 -1.820 1.00 0.46 C ATOM 460 CG ARG A 30 12.214 -8.083 -3.226 1.00 0.51 C ATOM 461 CD ARG A 30 13.661 -7.632 -3.354 1.00 0.66 C ATOM 462 NE ARG A 30 14.225 -8.050 -4.636 1.00 1.20 N ATOM 463 CZ ARG A 30 15.297 -7.507 -5.212 1.00 1.70 C ATOM 464 NH1 ARG A 30 15.952 -6.511 -4.624 1.00 1.65 N ATOM 465 NH2 ARG A 30 15.725 -7.985 -6.373 1.00 2.57 N ATOM 0 H ARG A 30 13.287 -6.373 -0.629 1.00 0.35 H new ATOM 0 HA ARG A 30 10.914 -5.927 -2.240 1.00 0.36 H new ATOM 0 HB2 ARG A 30 12.370 -8.339 -1.112 1.00 0.46 H new ATOM 0 HB3 ARG A 30 10.742 -8.508 -1.738 1.00 0.46 H new ATOM 0 HG2 ARG A 30 12.140 -9.130 -3.519 1.00 0.51 H new ATOM 0 HG3 ARG A 30 11.600 -7.512 -3.922 1.00 0.51 H new ATOM 0 HD2 ARG A 30 13.718 -6.547 -3.263 1.00 0.66 H new ATOM 0 HD3 ARG A 30 14.250 -8.051 -2.539 1.00 0.66 H new ATOM 0 HE ARG A 30 13.763 -8.815 -5.127 1.00 1.20 H new ATOM 0 HH11 ARG A 30 15.635 -6.154 -3.722 1.00 1.65 H new ATOM 0 HH12 ARG A 30 16.771 -6.103 -5.074 1.00 1.65 H new ATOM 0 HH21 ARG A 30 15.234 -8.761 -6.817 1.00 2.57 H new ATOM 0 HH22 ARG A 30 16.545 -7.576 -6.822 1.00 2.57 H new ATOM 479 N TRP A 31 9.174 -5.933 -0.468 1.00 0.34 N ATOM 480 CA TRP A 31 8.073 -6.094 0.465 1.00 0.42 C ATOM 481 C TRP A 31 6.864 -6.689 -0.245 1.00 0.34 C ATOM 482 O TRP A 31 6.383 -6.154 -1.248 1.00 0.34 O ATOM 483 CB TRP A 31 7.713 -4.770 1.143 1.00 0.55 C ATOM 484 CG TRP A 31 8.455 -4.537 2.427 1.00 0.85 C ATOM 485 CD1 TRP A 31 8.017 -4.834 3.687 1.00 1.94 C ATOM 486 CD2 TRP A 31 9.758 -3.963 2.583 1.00 0.74 C ATOM 487 NE1 TRP A 31 8.968 -4.483 4.613 1.00 1.91 N ATOM 488 CE2 TRP A 31 10.044 -3.944 3.961 1.00 0.91 C ATOM 489 CE3 TRP A 31 10.712 -3.466 1.693 1.00 1.79 C ATOM 490 CZ2 TRP A 31 11.242 -3.450 4.466 1.00 0.90 C ATOM 491 CZ3 TRP A 31 11.898 -2.970 2.197 1.00 2.36 C ATOM 492 CH2 TRP A 31 12.156 -2.966 3.572 1.00 1.70 C ATOM 0 H TRP A 31 8.963 -5.349 -1.277 1.00 0.34 H new ATOM 0 HA TRP A 31 8.391 -6.782 1.248 1.00 0.42 H new ATOM 0 HB2 TRP A 31 7.923 -3.950 0.457 1.00 0.55 H new ATOM 0 HB3 TRP A 31 6.642 -4.752 1.343 1.00 0.55 H new ATOM 0 HD1 TRP A 31 7.062 -5.280 3.920 1.00 1.94 H new ATOM 0 HE1 TRP A 31 8.886 -4.604 5.622 1.00 1.91 H new ATOM 0 HE3 TRP A 31 10.526 -3.469 0.629 1.00 1.79 H new ATOM 0 HZ2 TRP A 31 11.443 -3.449 5.527 1.00 0.90 H new ATOM 0 HZ3 TRP A 31 12.640 -2.578 1.517 1.00 2.36 H new ATOM 0 HH2 TRP A 31 13.095 -2.573 3.934 1.00 1.70 H new ATOM 503 N PHE A 32 6.400 -7.813 0.274 1.00 0.31 N ATOM 504 CA PHE A 32 5.279 -8.535 -0.305 1.00 0.30 C ATOM 505 C PHE A 32 3.984 -8.167 0.392 1.00 0.29 C ATOM 506 O PHE A 32 3.953 -8.013 1.613 1.00 0.33 O ATOM 507 CB PHE A 32 5.502 -10.042 -0.182 1.00 0.38 C ATOM 508 CG PHE A 32 6.569 -10.573 -1.091 1.00 0.63 C ATOM 509 CD1 PHE A 32 7.911 -10.383 -0.803 1.00 1.10 C ATOM 510 CD2 PHE A 32 6.224 -11.263 -2.236 1.00 0.68 C ATOM 511 CE1 PHE A 32 8.889 -10.876 -1.646 1.00 1.62 C ATOM 512 CE2 PHE A 32 7.192 -11.757 -3.080 1.00 1.17 C ATOM 513 CZ PHE A 32 8.528 -11.564 -2.788 1.00 1.64 C ATOM 0 H PHE A 32 6.790 -8.251 1.109 1.00 0.31 H new ATOM 0 HA PHE A 32 5.209 -8.259 -1.357 1.00 0.30 H new ATOM 0 HB2 PHE A 32 5.766 -10.278 0.849 1.00 0.38 H new ATOM 0 HB3 PHE A 32 4.566 -10.557 -0.397 1.00 0.38 H new ATOM 0 HD1 PHE A 32 8.196 -9.844 0.089 1.00 1.10 H new ATOM 0 HD2 PHE A 32 5.181 -11.417 -2.472 1.00 0.68 H new ATOM 0 HE1 PHE A 32 9.932 -10.724 -1.412 1.00 1.62 H new ATOM 0 HE2 PHE A 32 6.907 -12.296 -3.971 1.00 1.17 H new ATOM 0 HZ PHE A 32 9.288 -11.950 -3.451 1.00 1.64 H new ATOM 523 N VAL A 33 2.921 -8.026 -0.384 1.00 0.28 N ATOM 524 CA VAL A 33 1.607 -7.768 0.180 1.00 0.30 C ATOM 525 C VAL A 33 1.084 -9.029 0.834 1.00 0.31 C ATOM 526 O VAL A 33 0.979 -10.066 0.187 1.00 0.52 O ATOM 527 CB VAL A 33 0.585 -7.323 -0.886 1.00 0.34 C ATOM 528 CG1 VAL A 33 -0.573 -6.569 -0.245 1.00 0.74 C ATOM 529 CG2 VAL A 33 1.249 -6.500 -1.970 1.00 0.74 C ATOM 0 H VAL A 33 2.942 -8.086 -1.402 1.00 0.28 H new ATOM 0 HA VAL A 33 1.723 -6.961 0.903 1.00 0.30 H new ATOM 0 HB VAL A 33 0.179 -8.217 -1.358 1.00 0.34 H new ATOM 0 HG11 VAL A 33 -1.281 -6.265 -1.016 1.00 0.74 H new ATOM 0 HG12 VAL A 33 -1.075 -7.216 0.474 1.00 0.74 H new ATOM 0 HG13 VAL A 33 -0.193 -5.685 0.267 1.00 0.74 H new ATOM 0 HG21 VAL A 33 0.504 -6.201 -2.707 1.00 0.74 H new ATOM 0 HG22 VAL A 33 1.699 -5.611 -1.528 1.00 0.74 H new ATOM 0 HG23 VAL A 33 2.022 -7.095 -2.456 1.00 0.74 H new ATOM 539 N VAL A 34 0.776 -8.950 2.113 1.00 0.20 N ATOM 540 CA VAL A 34 0.224 -10.090 2.823 1.00 0.25 C ATOM 541 C VAL A 34 -1.223 -9.801 3.237 1.00 0.28 C ATOM 542 O VAL A 34 -1.968 -10.702 3.629 1.00 0.47 O ATOM 543 CB VAL A 34 1.086 -10.454 4.055 1.00 0.30 C ATOM 544 CG1 VAL A 34 0.617 -11.753 4.691 1.00 0.40 C ATOM 545 CG2 VAL A 34 2.554 -10.557 3.660 1.00 0.29 C ATOM 0 H VAL A 34 0.897 -8.112 2.682 1.00 0.20 H new ATOM 0 HA VAL A 34 0.232 -10.949 2.151 1.00 0.25 H new ATOM 0 HB VAL A 34 0.973 -9.659 4.792 1.00 0.30 H new ATOM 0 HG11 VAL A 34 1.242 -11.982 5.554 1.00 0.40 H new ATOM 0 HG12 VAL A 34 -0.419 -11.648 5.011 1.00 0.40 H new ATOM 0 HG13 VAL A 34 0.692 -12.562 3.964 1.00 0.40 H new ATOM 0 HG21 VAL A 34 3.149 -10.814 4.536 1.00 0.29 H new ATOM 0 HG22 VAL A 34 2.673 -11.330 2.901 1.00 0.29 H new ATOM 0 HG23 VAL A 34 2.891 -9.601 3.260 1.00 0.29 H new ATOM 555 N GLY A 35 -1.626 -8.540 3.120 1.00 0.19 N ATOM 556 CA GLY A 35 -3.010 -8.181 3.392 1.00 0.19 C ATOM 557 C GLY A 35 -3.364 -6.809 2.856 1.00 0.17 C ATOM 558 O GLY A 35 -2.471 -6.020 2.543 1.00 0.18 O ATOM 0 H GLY A 35 -1.025 -7.763 2.844 1.00 0.19 H new ATOM 0 HA2 GLY A 35 -3.670 -8.924 2.946 1.00 0.19 H new ATOM 0 HA3 GLY A 35 -3.184 -8.205 4.468 1.00 0.19 H new ATOM 562 N LEU A 36 -4.661 -6.514 2.756 1.00 0.17 N ATOM 563 CA LEU A 36 -5.110 -5.238 2.217 1.00 0.18 C ATOM 564 C LEU A 36 -6.484 -4.864 2.768 1.00 0.16 C ATOM 565 O LEU A 36 -7.379 -5.694 2.832 1.00 0.18 O ATOM 566 CB LEU A 36 -5.174 -5.307 0.696 1.00 0.20 C ATOM 567 CG LEU A 36 -5.146 -3.954 -0.005 1.00 0.24 C ATOM 568 CD1 LEU A 36 -3.755 -3.354 0.076 1.00 0.31 C ATOM 569 CD2 LEU A 36 -5.597 -4.088 -1.447 1.00 0.30 C ATOM 0 H LEU A 36 -5.413 -7.141 3.041 1.00 0.17 H new ATOM 0 HA LEU A 36 -4.394 -4.473 2.519 1.00 0.18 H new ATOM 0 HB2 LEU A 36 -4.335 -5.904 0.337 1.00 0.20 H new ATOM 0 HB3 LEU A 36 -6.085 -5.831 0.408 1.00 0.20 H new ATOM 0 HG LEU A 36 -5.841 -3.283 0.500 1.00 0.24 H new ATOM 0 HD11 LEU A 36 -3.746 -2.387 -0.428 1.00 0.31 H new ATOM 0 HD12 LEU A 36 -3.476 -3.221 1.121 1.00 0.31 H new ATOM 0 HD13 LEU A 36 -3.042 -4.022 -0.407 1.00 0.31 H new ATOM 0 HD21 LEU A 36 -5.570 -3.111 -1.929 1.00 0.30 H new ATOM 0 HD22 LEU A 36 -4.932 -4.772 -1.974 1.00 0.30 H new ATOM 0 HD23 LEU A 36 -6.614 -4.478 -1.475 1.00 0.30 H new ATOM 581 N ALA A 37 -6.652 -3.609 3.140 1.00 0.17 N ATOM 582 CA ALA A 37 -7.898 -3.145 3.745 1.00 0.18 C ATOM 583 C ALA A 37 -8.190 -1.719 3.314 1.00 0.24 C ATOM 584 O ALA A 37 -7.331 -0.860 3.427 1.00 0.43 O ATOM 585 CB ALA A 37 -7.786 -3.219 5.258 1.00 0.25 C ATOM 0 H ALA A 37 -5.941 -2.885 3.035 1.00 0.17 H new ATOM 0 HA ALA A 37 -8.716 -3.784 3.413 1.00 0.18 H new ATOM 0 HB1 ALA A 37 -8.716 -2.873 5.709 1.00 0.25 H new ATOM 0 HB2 ALA A 37 -7.599 -4.250 5.559 1.00 0.25 H new ATOM 0 HB3 ALA A 37 -6.963 -2.588 5.593 1.00 0.25 H new ATOM 591 N GLY A 38 -9.385 -1.457 2.814 1.00 0.22 N ATOM 592 CA GLY A 38 -9.676 -0.130 2.322 1.00 0.26 C ATOM 593 C GLY A 38 -10.931 -0.060 1.495 1.00 0.25 C ATOM 594 O GLY A 38 -11.385 -1.060 0.951 1.00 0.26 O ATOM 0 H GLY A 38 -10.149 -2.129 2.740 1.00 0.22 H new ATOM 0 HA2 GLY A 38 -9.769 0.551 3.168 1.00 0.26 H new ATOM 0 HA3 GLY A 38 -8.835 0.220 1.723 1.00 0.26 H new ATOM 598 N ASN A 39 -11.491 1.134 1.390 1.00 0.26 N ATOM 599 CA ASN A 39 -12.727 1.325 0.645 1.00 0.27 C ATOM 600 C ASN A 39 -12.449 1.257 -0.860 1.00 0.32 C ATOM 601 O ASN A 39 -13.344 1.019 -1.666 1.00 0.40 O ATOM 602 CB ASN A 39 -13.394 2.651 1.050 1.00 0.31 C ATOM 603 CG ASN A 39 -14.491 3.098 0.095 1.00 1.08 C ATOM 604 OD1 ASN A 39 -15.640 2.683 0.212 1.00 1.94 O ATOM 605 ND2 ASN A 39 -14.152 3.985 -0.830 1.00 1.73 N ATOM 0 H ASN A 39 -11.112 1.983 1.809 1.00 0.26 H new ATOM 0 HA ASN A 39 -13.425 0.523 0.887 1.00 0.27 H new ATOM 0 HB2 ASN A 39 -13.815 2.546 2.050 1.00 0.31 H new ATOM 0 HB3 ASN A 39 -12.633 3.429 1.105 1.00 0.31 H new ATOM 0 HD21 ASN A 39 -14.856 4.345 -1.474 1.00 1.73 H new ATOM 0 HD22 ASN A 39 -13.187 4.308 -0.898 1.00 1.73 H new ATOM 612 N ALA A 40 -11.183 1.441 -1.222 1.00 0.34 N ATOM 613 CA ALA A 40 -10.752 1.314 -2.609 1.00 0.41 C ATOM 614 C ALA A 40 -10.179 -0.080 -2.860 1.00 0.39 C ATOM 615 O ALA A 40 -9.706 -0.388 -3.952 1.00 0.45 O ATOM 616 CB ALA A 40 -9.727 2.386 -2.940 1.00 0.46 C ATOM 0 H ALA A 40 -10.435 1.680 -0.571 1.00 0.34 H new ATOM 0 HA ALA A 40 -11.615 1.451 -3.261 1.00 0.41 H new ATOM 0 HB1 ALA A 40 -9.413 2.281 -3.978 1.00 0.46 H new ATOM 0 HB2 ALA A 40 -10.170 3.371 -2.793 1.00 0.46 H new ATOM 0 HB3 ALA A 40 -8.862 2.276 -2.286 1.00 0.46 H new ATOM 622 N VAL A 41 -10.209 -0.899 -1.817 1.00 0.34 N ATOM 623 CA VAL A 41 -9.812 -2.303 -1.902 1.00 0.33 C ATOM 624 C VAL A 41 -10.839 -3.114 -2.690 1.00 0.42 C ATOM 625 O VAL A 41 -12.047 -2.936 -2.513 1.00 0.46 O ATOM 626 CB VAL A 41 -9.644 -2.907 -0.479 1.00 0.28 C ATOM 627 CG1 VAL A 41 -9.807 -4.429 -0.466 1.00 0.32 C ATOM 628 CG2 VAL A 41 -8.285 -2.521 0.084 1.00 0.30 C ATOM 0 H VAL A 41 -10.509 -0.611 -0.886 1.00 0.34 H new ATOM 0 HA VAL A 41 -8.857 -2.350 -2.425 1.00 0.33 H new ATOM 0 HB VAL A 41 -10.436 -2.496 0.147 1.00 0.28 H new ATOM 0 HG11 VAL A 41 -9.680 -4.800 0.551 1.00 0.32 H new ATOM 0 HG12 VAL A 41 -10.802 -4.692 -0.827 1.00 0.32 H new ATOM 0 HG13 VAL A 41 -9.055 -4.881 -1.113 1.00 0.32 H new ATOM 0 HG21 VAL A 41 -8.170 -2.946 1.081 1.00 0.30 H new ATOM 0 HG22 VAL A 41 -7.499 -2.905 -0.567 1.00 0.30 H new ATOM 0 HG23 VAL A 41 -8.210 -1.435 0.141 1.00 0.30 H new ATOM 638 N GLN A 42 -10.350 -3.988 -3.569 1.00 0.55 N ATOM 639 CA GLN A 42 -11.214 -4.911 -4.299 1.00 0.69 C ATOM 640 C GLN A 42 -11.731 -5.991 -3.354 1.00 0.60 C ATOM 641 O GLN A 42 -11.204 -7.110 -3.302 1.00 0.70 O ATOM 642 CB GLN A 42 -10.456 -5.550 -5.467 1.00 0.93 C ATOM 643 CG GLN A 42 -9.971 -4.548 -6.507 1.00 1.49 C ATOM 644 CD GLN A 42 -11.106 -3.852 -7.240 1.00 1.84 C ATOM 645 OE1 GLN A 42 -11.582 -2.797 -6.822 1.00 2.44 O ATOM 646 NE2 GLN A 42 -11.542 -4.433 -8.349 1.00 2.35 N ATOM 0 H GLN A 42 -9.359 -4.075 -3.792 1.00 0.55 H new ATOM 0 HA GLN A 42 -12.059 -4.354 -4.703 1.00 0.69 H new ATOM 0 HB2 GLN A 42 -9.598 -6.097 -5.075 1.00 0.93 H new ATOM 0 HB3 GLN A 42 -11.104 -6.279 -5.953 1.00 0.93 H new ATOM 0 HG2 GLN A 42 -9.349 -3.798 -6.018 1.00 1.49 H new ATOM 0 HG3 GLN A 42 -9.340 -5.062 -7.232 1.00 1.49 H new ATOM 0 HE21 GLN A 42 -11.123 -5.308 -8.665 1.00 2.35 H new ATOM 0 HE22 GLN A 42 -12.296 -4.005 -8.886 1.00 2.35 H new ATOM 655 N LYS A 43 -12.756 -5.636 -2.599 1.00 0.50 N ATOM 656 CA LYS A 43 -13.327 -6.519 -1.603 1.00 0.48 C ATOM 657 C LYS A 43 -14.729 -6.941 -2.039 1.00 0.59 C ATOM 658 O LYS A 43 -15.722 -6.327 -1.652 1.00 0.69 O ATOM 659 CB LYS A 43 -13.364 -5.799 -0.248 1.00 0.43 C ATOM 660 CG LYS A 43 -13.312 -6.718 0.960 1.00 0.57 C ATOM 661 CD LYS A 43 -14.293 -7.866 0.893 1.00 0.55 C ATOM 662 CE LYS A 43 -13.777 -9.020 1.719 1.00 0.52 C ATOM 663 NZ LYS A 43 -13.913 -8.783 3.179 1.00 0.97 N ATOM 0 H LYS A 43 -13.214 -4.727 -2.661 1.00 0.50 H new ATOM 0 HA LYS A 43 -12.715 -7.416 -1.502 1.00 0.48 H new ATOM 0 HB2 LYS A 43 -12.524 -5.106 -0.197 1.00 0.43 H new ATOM 0 HB3 LYS A 43 -14.274 -5.201 -0.194 1.00 0.43 H new ATOM 0 HG2 LYS A 43 -12.303 -7.119 1.057 1.00 0.57 H new ATOM 0 HG3 LYS A 43 -13.511 -6.134 1.859 1.00 0.57 H new ATOM 0 HD2 LYS A 43 -15.267 -7.547 1.263 1.00 0.55 H new ATOM 0 HD3 LYS A 43 -14.432 -8.179 -0.142 1.00 0.55 H new ATOM 0 HE2 LYS A 43 -14.320 -9.926 1.450 1.00 0.52 H new ATOM 0 HE3 LYS A 43 -12.728 -9.193 1.479 1.00 0.52 H new ATOM 0 HZ1 LYS A 43 -12.980 -8.861 3.632 1.00 0.97 H new ATOM 0 HZ2 LYS A 43 -14.298 -7.831 3.342 1.00 0.97 H new ATOM 0 HZ3 LYS A 43 -14.556 -9.491 3.587 1.00 0.97 H new ATOM 677 N GLU A 44 -14.794 -7.993 -2.850 1.00 0.68 N ATOM 678 CA GLU A 44 -16.073 -8.478 -3.379 1.00 0.80 C ATOM 679 C GLU A 44 -16.912 -9.055 -2.259 1.00 0.76 C ATOM 680 O GLU A 44 -18.020 -8.602 -1.977 1.00 0.88 O ATOM 681 CB GLU A 44 -15.859 -9.582 -4.422 1.00 0.94 C ATOM 682 CG GLU A 44 -14.617 -9.409 -5.271 1.00 0.95 C ATOM 683 CD GLU A 44 -14.565 -8.060 -5.955 1.00 1.59 C ATOM 684 OE1 GLU A 44 -15.325 -7.851 -6.914 1.00 2.00 O ATOM 685 OE2 GLU A 44 -13.767 -7.200 -5.529 1.00 2.22 O ATOM 0 H GLU A 44 -13.981 -8.527 -3.157 1.00 0.68 H new ATOM 0 HA GLU A 44 -16.577 -7.630 -3.842 1.00 0.80 H new ATOM 0 HB2 GLU A 44 -15.803 -10.543 -3.910 1.00 0.94 H new ATOM 0 HB3 GLU A 44 -16.730 -9.620 -5.077 1.00 0.94 H new ATOM 0 HG2 GLU A 44 -13.733 -9.529 -4.645 1.00 0.95 H new ATOM 0 HG3 GLU A 44 -14.583 -10.196 -6.024 1.00 0.95 H new ATOM 692 N ARG A 45 -16.346 -10.061 -1.630 1.00 0.70 N ATOM 693 CA ARG A 45 -16.980 -10.767 -0.541 1.00 0.79 C ATOM 694 C ARG A 45 -15.886 -11.424 0.276 1.00 0.79 C ATOM 695 O ARG A 45 -15.905 -11.411 1.501 1.00 0.90 O ATOM 696 CB ARG A 45 -17.951 -11.825 -1.081 1.00 0.94 C ATOM 697 CG ARG A 45 -19.344 -11.772 -0.466 1.00 1.54 C ATOM 698 CD ARG A 45 -19.318 -11.995 1.038 1.00 1.86 C ATOM 699 NE ARG A 45 -18.785 -13.307 1.399 1.00 2.25 N ATOM 700 CZ ARG A 45 -18.078 -13.542 2.504 1.00 2.90 C ATOM 701 NH1 ARG A 45 -17.816 -12.553 3.347 1.00 3.09 N ATOM 702 NH2 ARG A 45 -17.643 -14.765 2.769 1.00 3.78 N ATOM 0 H ARG A 45 -15.419 -10.416 -1.865 1.00 0.70 H new ATOM 0 HA ARG A 45 -17.555 -10.076 0.076 1.00 0.79 H new ATOM 0 HB2 ARG A 45 -18.039 -11.703 -2.161 1.00 0.94 H new ATOM 0 HB3 ARG A 45 -17.527 -12.814 -0.905 1.00 0.94 H new ATOM 0 HG2 ARG A 45 -19.797 -10.804 -0.680 1.00 1.54 H new ATOM 0 HG3 ARG A 45 -19.974 -12.529 -0.933 1.00 1.54 H new ATOM 0 HD2 ARG A 45 -18.713 -11.219 1.507 1.00 1.86 H new ATOM 0 HD3 ARG A 45 -20.328 -11.895 1.435 1.00 1.86 H new ATOM 0 HE ARG A 45 -18.965 -14.088 0.768 1.00 2.25 H new ATOM 0 HH11 ARG A 45 -18.156 -11.612 3.150 1.00 3.09 H new ATOM 0 HH12 ARG A 45 -17.275 -12.733 4.193 1.00 3.09 H new ATOM 0 HH21 ARG A 45 -17.849 -15.530 2.126 1.00 3.78 H new ATOM 0 HH22 ARG A 45 -17.102 -14.942 3.616 1.00 3.78 H new ATOM 716 N GLN A 46 -14.897 -11.949 -0.435 1.00 0.80 N ATOM 717 CA GLN A 46 -13.771 -12.617 0.198 1.00 0.94 C ATOM 718 C GLN A 46 -12.455 -11.867 -0.048 1.00 0.86 C ATOM 719 O GLN A 46 -11.937 -11.227 0.862 1.00 0.94 O ATOM 720 CB GLN A 46 -13.677 -14.084 -0.256 1.00 1.13 C ATOM 721 CG GLN A 46 -14.406 -14.400 -1.561 1.00 1.36 C ATOM 722 CD GLN A 46 -13.754 -13.772 -2.774 1.00 1.85 C ATOM 723 OE1 GLN A 46 -14.063 -12.637 -3.140 1.00 2.42 O ATOM 724 NE2 GLN A 46 -12.839 -14.500 -3.395 1.00 2.45 N ATOM 0 H GLN A 46 -14.853 -11.924 -1.454 1.00 0.80 H new ATOM 0 HA GLN A 46 -13.945 -12.610 1.274 1.00 0.94 H new ATOM 0 HB2 GLN A 46 -12.626 -14.347 -0.371 1.00 1.13 H new ATOM 0 HB3 GLN A 46 -14.080 -14.720 0.532 1.00 1.13 H new ATOM 0 HG2 GLN A 46 -14.445 -15.481 -1.696 1.00 1.36 H new ATOM 0 HG3 GLN A 46 -15.436 -14.051 -1.488 1.00 1.36 H new ATOM 0 HE21 GLN A 46 -12.615 -15.436 -3.056 1.00 2.45 H new ATOM 0 HE22 GLN A 46 -12.358 -14.125 -4.212 1.00 2.45 H new ATOM 733 N SER A 47 -11.961 -11.900 -1.285 1.00 0.79 N ATOM 734 CA SER A 47 -10.640 -11.368 -1.632 1.00 0.80 C ATOM 735 C SER A 47 -10.396 -11.531 -3.130 1.00 0.82 C ATOM 736 O SER A 47 -9.998 -12.602 -3.584 1.00 0.93 O ATOM 737 CB SER A 47 -9.518 -12.092 -0.863 1.00 0.93 C ATOM 738 OG SER A 47 -9.451 -11.677 0.493 1.00 1.58 O ATOM 0 H SER A 47 -12.465 -12.297 -2.078 1.00 0.79 H new ATOM 0 HA SER A 47 -10.625 -10.314 -1.356 1.00 0.80 H new ATOM 0 HB2 SER A 47 -9.685 -13.168 -0.905 1.00 0.93 H new ATOM 0 HB3 SER A 47 -8.562 -11.899 -1.349 1.00 0.93 H new ATOM 0 HG SER A 47 -10.262 -11.177 0.722 1.00 1.58 H new ATOM 744 N ARG A 48 -10.669 -10.490 -3.906 1.00 0.81 N ATOM 745 CA ARG A 48 -10.365 -10.521 -5.324 1.00 0.90 C ATOM 746 C ARG A 48 -8.947 -10.024 -5.545 1.00 0.92 C ATOM 747 O ARG A 48 -8.331 -10.275 -6.580 1.00 1.64 O ATOM 748 CB ARG A 48 -11.354 -9.653 -6.085 1.00 0.95 C ATOM 749 CG ARG A 48 -11.195 -9.713 -7.588 1.00 1.22 C ATOM 750 CD ARG A 48 -12.144 -8.749 -8.259 1.00 1.72 C ATOM 751 NE ARG A 48 -11.981 -8.732 -9.710 1.00 2.25 N ATOM 752 CZ ARG A 48 -12.766 -8.050 -10.539 1.00 2.93 C ATOM 753 NH1 ARG A 48 -13.738 -7.281 -10.065 1.00 3.36 N ATOM 754 NH2 ARG A 48 -12.569 -8.130 -11.847 1.00 3.61 N ATOM 0 H ARG A 48 -11.096 -9.624 -3.579 1.00 0.81 H new ATOM 0 HA ARG A 48 -10.447 -11.544 -5.693 1.00 0.90 H new ATOM 0 HB2 ARG A 48 -12.367 -9.960 -5.824 1.00 0.95 H new ATOM 0 HB3 ARG A 48 -11.241 -8.619 -5.759 1.00 0.95 H new ATOM 0 HG2 ARG A 48 -10.168 -9.471 -7.861 1.00 1.22 H new ATOM 0 HG3 ARG A 48 -11.388 -10.726 -7.940 1.00 1.22 H new ATOM 0 HD2 ARG A 48 -13.170 -9.023 -8.014 1.00 1.72 H new ATOM 0 HD3 ARG A 48 -11.979 -7.746 -7.865 1.00 1.72 H new ATOM 0 HE ARG A 48 -11.218 -9.277 -10.112 1.00 2.25 H new ATOM 0 HH11 ARG A 48 -13.887 -7.210 -9.058 1.00 3.36 H new ATOM 0 HH12 ARG A 48 -14.336 -6.761 -10.707 1.00 3.36 H new ATOM 0 HH21 ARG A 48 -11.817 -8.713 -12.215 1.00 3.61 H new ATOM 0 HH22 ARG A 48 -13.169 -7.608 -12.486 1.00 3.61 H new ATOM 768 N PHE A 49 -8.446 -9.311 -4.550 1.00 0.49 N ATOM 769 CA PHE A 49 -7.080 -8.827 -4.567 1.00 0.42 C ATOM 770 C PHE A 49 -6.105 -9.996 -4.512 1.00 0.59 C ATOM 771 O PHE A 49 -6.421 -11.066 -4.010 1.00 1.46 O ATOM 772 CB PHE A 49 -6.850 -7.891 -3.383 1.00 0.35 C ATOM 773 CG PHE A 49 -5.473 -7.295 -3.306 1.00 0.32 C ATOM 774 CD1 PHE A 49 -4.967 -6.519 -4.337 1.00 0.40 C ATOM 775 CD2 PHE A 49 -4.683 -7.527 -2.193 1.00 0.27 C ATOM 776 CE1 PHE A 49 -3.696 -5.982 -4.256 1.00 0.42 C ATOM 777 CE2 PHE A 49 -3.410 -6.996 -2.107 1.00 0.30 C ATOM 778 CZ PHE A 49 -2.915 -6.222 -3.140 1.00 0.37 C ATOM 0 H PHE A 49 -8.972 -9.054 -3.715 1.00 0.49 H new ATOM 0 HA PHE A 49 -6.909 -8.278 -5.493 1.00 0.42 H new ATOM 0 HB2 PHE A 49 -7.578 -7.081 -3.432 1.00 0.35 H new ATOM 0 HB3 PHE A 49 -7.045 -8.440 -2.462 1.00 0.35 H new ATOM 0 HD1 PHE A 49 -5.572 -6.332 -5.212 1.00 0.40 H new ATOM 0 HD2 PHE A 49 -5.066 -8.130 -1.383 1.00 0.27 H new ATOM 0 HE1 PHE A 49 -3.313 -5.376 -5.063 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -2.803 -7.185 -1.234 1.00 0.30 H new ATOM 0 HZ PHE A 49 -1.921 -5.806 -3.076 1.00 0.37 H new ATOM 788 N THR A 50 -4.918 -9.751 -4.997 1.00 0.46 N ATOM 789 CA THR A 50 -3.876 -10.756 -5.101 1.00 0.42 C ATOM 790 C THR A 50 -2.543 -10.110 -4.774 1.00 0.47 C ATOM 791 O THR A 50 -2.326 -8.940 -5.095 1.00 0.84 O ATOM 792 CB THR A 50 -3.828 -11.373 -6.520 1.00 0.42 C ATOM 793 OG1 THR A 50 -4.199 -10.388 -7.492 1.00 0.89 O ATOM 794 CG2 THR A 50 -4.745 -12.588 -6.644 1.00 0.82 C ATOM 0 H THR A 50 -4.635 -8.833 -5.339 1.00 0.46 H new ATOM 0 HA THR A 50 -4.090 -11.560 -4.397 1.00 0.42 H new ATOM 0 HB THR A 50 -2.806 -11.706 -6.700 1.00 0.42 H new ATOM 0 HG1 THR A 50 -4.165 -10.784 -8.388 1.00 0.89 H new ATOM 0 HG21 THR A 50 -4.681 -12.990 -7.655 1.00 0.82 H new ATOM 0 HG22 THR A 50 -4.436 -13.351 -5.930 1.00 0.82 H new ATOM 0 HG23 THR A 50 -5.773 -12.291 -6.436 1.00 0.82 H new ATOM 802 N MET A 51 -1.673 -10.839 -4.095 1.00 0.25 N ATOM 803 CA MET A 51 -0.383 -10.273 -3.702 1.00 0.24 C ATOM 804 C MET A 51 0.504 -10.003 -4.898 1.00 0.26 C ATOM 805 O MET A 51 0.525 -10.756 -5.871 1.00 0.29 O ATOM 806 CB MET A 51 0.386 -11.165 -2.724 1.00 0.25 C ATOM 807 CG MET A 51 0.918 -12.455 -3.324 1.00 0.31 C ATOM 808 SD MET A 51 1.075 -13.776 -2.101 1.00 0.50 S ATOM 809 CE MET A 51 1.706 -12.881 -0.677 1.00 1.00 C ATOM 0 H MET A 51 -1.826 -11.805 -3.807 1.00 0.25 H new ATOM 0 HA MET A 51 -0.628 -9.335 -3.204 1.00 0.24 H new ATOM 0 HB2 MET A 51 1.223 -10.597 -2.317 1.00 0.25 H new ATOM 0 HB3 MET A 51 -0.268 -11.412 -1.888 1.00 0.25 H new ATOM 0 HG2 MET A 51 0.252 -12.782 -4.123 1.00 0.31 H new ATOM 0 HG3 MET A 51 1.891 -12.267 -3.777 1.00 0.31 H new ATOM 0 HE1 MET A 51 2.194 -13.578 0.004 1.00 1.00 H new ATOM 0 HE2 MET A 51 2.426 -12.133 -1.008 1.00 1.00 H new ATOM 0 HE3 MET A 51 0.881 -12.388 -0.162 1.00 1.00 H new ATOM 819 N TYR A 52 1.226 -8.913 -4.795 1.00 0.28 N ATOM 820 CA TYR A 52 2.293 -8.591 -5.712 1.00 0.32 C ATOM 821 C TYR A 52 3.477 -8.086 -4.907 1.00 0.30 C ATOM 822 O TYR A 52 3.375 -7.934 -3.687 1.00 0.30 O ATOM 823 CB TYR A 52 1.849 -7.568 -6.770 1.00 0.42 C ATOM 824 CG TYR A 52 1.051 -6.379 -6.260 1.00 0.48 C ATOM 825 CD1 TYR A 52 1.397 -5.708 -5.093 1.00 0.49 C ATOM 826 CD2 TYR A 52 -0.041 -5.911 -6.980 1.00 0.61 C ATOM 827 CE1 TYR A 52 0.674 -4.611 -4.660 1.00 0.61 C ATOM 828 CE2 TYR A 52 -0.769 -4.819 -6.550 1.00 0.72 C ATOM 829 CZ TYR A 52 -0.407 -4.172 -5.390 1.00 0.71 C ATOM 830 OH TYR A 52 -1.126 -3.081 -4.961 1.00 0.85 O ATOM 0 H TYR A 52 1.087 -8.216 -4.063 1.00 0.28 H new ATOM 0 HA TYR A 52 2.580 -9.486 -6.263 1.00 0.32 H new ATOM 0 HB2 TYR A 52 2.738 -7.192 -7.277 1.00 0.42 H new ATOM 0 HB3 TYR A 52 1.250 -8.087 -7.518 1.00 0.42 H new ATOM 0 HD1 TYR A 52 2.244 -6.048 -4.515 1.00 0.49 H new ATOM 0 HD2 TYR A 52 -0.326 -6.411 -7.894 1.00 0.61 H new ATOM 0 HE1 TYR A 52 0.957 -4.100 -3.751 1.00 0.61 H new ATOM 0 HE2 TYR A 52 -1.618 -4.474 -7.121 1.00 0.72 H new ATOM 0 HH TYR A 52 -1.856 -2.902 -5.590 1.00 0.85 H new ATOM 840 N SER A 53 4.592 -7.848 -5.561 1.00 0.33 N ATOM 841 CA SER A 53 5.764 -7.369 -4.862 1.00 0.33 C ATOM 842 C SER A 53 5.976 -5.899 -5.151 1.00 0.37 C ATOM 843 O SER A 53 6.042 -5.496 -6.310 1.00 0.52 O ATOM 844 CB SER A 53 7.005 -8.164 -5.276 1.00 0.40 C ATOM 845 OG SER A 53 6.774 -9.556 -5.172 1.00 0.93 O ATOM 0 H SER A 53 4.712 -7.977 -6.566 1.00 0.33 H new ATOM 0 HA SER A 53 5.605 -7.506 -3.792 1.00 0.33 H new ATOM 0 HB2 SER A 53 7.277 -7.913 -6.301 1.00 0.40 H new ATOM 0 HB3 SER A 53 7.848 -7.884 -4.645 1.00 0.40 H new ATOM 0 HG SER A 53 7.041 -9.866 -4.282 1.00 0.93 H new ATOM 851 N THR A 54 6.038 -5.101 -4.100 1.00 0.31 N ATOM 852 CA THR A 54 6.434 -3.716 -4.225 1.00 0.33 C ATOM 853 C THR A 54 7.887 -3.611 -3.794 1.00 0.29 C ATOM 854 O THR A 54 8.203 -3.660 -2.603 1.00 0.27 O ATOM 855 CB THR A 54 5.553 -2.810 -3.344 1.00 0.37 C ATOM 856 OG1 THR A 54 4.211 -3.310 -3.328 1.00 0.43 O ATOM 857 CG2 THR A 54 5.537 -1.381 -3.871 1.00 0.43 C ATOM 0 H THR A 54 5.818 -5.393 -3.148 1.00 0.31 H new ATOM 0 HA THR A 54 6.313 -3.387 -5.257 1.00 0.33 H new ATOM 0 HB THR A 54 5.970 -2.811 -2.337 1.00 0.37 H new ATOM 0 HG1 THR A 54 3.923 -3.445 -2.401 1.00 0.43 H new ATOM 0 HG21 THR A 54 4.908 -0.764 -3.230 1.00 0.43 H new ATOM 0 HG22 THR A 54 6.552 -0.983 -3.875 1.00 0.43 H new ATOM 0 HG23 THR A 54 5.140 -1.372 -4.886 1.00 0.43 H new ATOM 865 N ILE A 55 8.775 -3.503 -4.764 1.00 0.30 N ATOM 866 CA ILE A 55 10.194 -3.467 -4.472 1.00 0.28 C ATOM 867 C ILE A 55 10.676 -2.037 -4.485 1.00 0.24 C ATOM 868 O ILE A 55 10.914 -1.468 -5.547 1.00 0.26 O ATOM 869 CB ILE A 55 11.033 -4.279 -5.485 1.00 0.34 C ATOM 870 CG1 ILE A 55 10.304 -5.554 -5.935 1.00 0.50 C ATOM 871 CG2 ILE A 55 12.392 -4.621 -4.880 1.00 0.32 C ATOM 872 CD1 ILE A 55 9.891 -6.473 -4.810 1.00 0.72 C ATOM 0 H ILE A 55 8.540 -3.439 -5.755 1.00 0.30 H new ATOM 0 HA ILE A 55 10.327 -3.918 -3.489 1.00 0.28 H new ATOM 0 HB ILE A 55 11.181 -3.662 -6.371 1.00 0.34 H new ATOM 0 HG12 ILE A 55 9.415 -5.269 -6.498 1.00 0.50 H new ATOM 0 HG13 ILE A 55 10.951 -6.105 -6.618 1.00 0.50 H new ATOM 0 HG21 ILE A 55 12.977 -5.193 -5.600 1.00 0.32 H new ATOM 0 HG22 ILE A 55 12.921 -3.701 -4.631 1.00 0.32 H new ATOM 0 HG23 ILE A 55 12.249 -5.213 -3.976 1.00 0.32 H new ATOM 0 HD11 ILE A 55 9.384 -7.346 -5.221 1.00 0.72 H new ATOM 0 HD12 ILE A 55 10.775 -6.793 -4.258 1.00 0.72 H new ATOM 0 HD13 ILE A 55 9.216 -5.944 -4.138 1.00 0.72 H new ATOM 884 N TYR A 56 10.795 -1.450 -3.311 1.00 0.25 N ATOM 885 CA TYR A 56 11.221 -0.070 -3.208 1.00 0.27 C ATOM 886 C TYR A 56 12.732 -0.009 -3.304 1.00 0.30 C ATOM 887 O TYR A 56 13.432 -0.413 -2.382 1.00 0.36 O ATOM 888 CB TYR A 56 10.775 0.556 -1.887 1.00 0.32 C ATOM 889 CG TYR A 56 9.529 -0.052 -1.271 1.00 0.39 C ATOM 890 CD1 TYR A 56 8.281 0.030 -1.886 1.00 0.32 C ATOM 891 CD2 TYR A 56 9.604 -0.686 -0.039 1.00 0.79 C ATOM 892 CE1 TYR A 56 7.158 -0.505 -1.286 1.00 0.43 C ATOM 893 CE2 TYR A 56 8.484 -1.228 0.559 1.00 1.01 C ATOM 894 CZ TYR A 56 7.265 -1.131 -0.068 1.00 0.79 C ATOM 895 OH TYR A 56 6.146 -1.664 0.526 1.00 1.02 O ATOM 0 H TYR A 56 10.603 -1.905 -2.419 1.00 0.25 H new ATOM 0 HA TYR A 56 10.762 0.491 -4.022 1.00 0.27 H new ATOM 0 HB2 TYR A 56 11.592 0.474 -1.170 1.00 0.32 H new ATOM 0 HB3 TYR A 56 10.599 1.619 -2.049 1.00 0.32 H new ATOM 0 HD1 TYR A 56 8.191 0.519 -2.845 1.00 0.32 H new ATOM 0 HD2 TYR A 56 10.558 -0.757 0.462 1.00 0.79 H new ATOM 0 HE1 TYR A 56 6.197 -0.431 -1.774 1.00 0.43 H new ATOM 0 HE2 TYR A 56 8.565 -1.725 1.514 1.00 1.01 H new ATOM 0 HH TYR A 56 6.393 -2.072 1.382 1.00 1.02 H new ATOM 905 N GLU A 57 13.235 0.466 -4.423 1.00 0.33 N ATOM 906 CA GLU A 57 14.668 0.535 -4.622 1.00 0.41 C ATOM 907 C GLU A 57 15.112 1.990 -4.636 1.00 0.36 C ATOM 908 O GLU A 57 14.621 2.795 -5.421 1.00 0.42 O ATOM 909 CB GLU A 57 15.059 -0.188 -5.912 1.00 0.52 C ATOM 910 CG GLU A 57 16.557 -0.363 -6.089 1.00 1.13 C ATOM 911 CD GLU A 57 16.899 -1.259 -7.262 1.00 1.56 C ATOM 912 OE1 GLU A 57 16.801 -0.795 -8.419 1.00 1.84 O ATOM 913 OE2 GLU A 57 17.268 -2.426 -7.035 1.00 2.33 O ATOM 0 H GLU A 57 12.677 0.809 -5.205 1.00 0.33 H new ATOM 0 HA GLU A 57 15.177 0.033 -3.799 1.00 0.41 H new ATOM 0 HB2 GLU A 57 14.584 -1.169 -5.925 1.00 0.52 H new ATOM 0 HB3 GLU A 57 14.665 0.368 -6.763 1.00 0.52 H new ATOM 0 HG2 GLU A 57 17.020 0.613 -6.234 1.00 1.13 H new ATOM 0 HG3 GLU A 57 16.981 -0.784 -5.178 1.00 1.13 H new ATOM 920 N LEU A 58 16.028 2.320 -3.747 1.00 0.41 N ATOM 921 CA LEU A 58 16.452 3.695 -3.549 1.00 0.42 C ATOM 922 C LEU A 58 17.415 4.138 -4.646 1.00 0.43 C ATOM 923 O LEU A 58 18.441 3.502 -4.884 1.00 0.60 O ATOM 924 CB LEU A 58 17.089 3.836 -2.164 1.00 0.62 C ATOM 925 CG LEU A 58 17.809 5.157 -1.880 1.00 0.58 C ATOM 926 CD1 LEU A 58 16.907 6.355 -2.139 1.00 1.24 C ATOM 927 CD2 LEU A 58 18.294 5.168 -0.446 1.00 1.24 C ATOM 0 H LEU A 58 16.499 1.646 -3.143 1.00 0.41 H new ATOM 0 HA LEU A 58 15.580 4.346 -3.606 1.00 0.42 H new ATOM 0 HB2 LEU A 58 16.310 3.703 -1.414 1.00 0.62 H new ATOM 0 HB3 LEU A 58 17.802 3.022 -2.031 1.00 0.62 H new ATOM 0 HG LEU A 58 18.659 5.235 -2.557 1.00 0.58 H new ATOM 0 HD11 LEU A 58 17.453 7.274 -1.926 1.00 1.24 H new ATOM 0 HD12 LEU A 58 16.591 6.354 -3.182 1.00 1.24 H new ATOM 0 HD13 LEU A 58 16.030 6.296 -1.494 1.00 1.24 H new ATOM 0 HD21 LEU A 58 18.807 6.108 -0.243 1.00 1.24 H new ATOM 0 HD22 LEU A 58 17.443 5.066 0.227 1.00 1.24 H new ATOM 0 HD23 LEU A 58 18.982 4.338 -0.288 1.00 1.24 H new ATOM 939 N GLN A 59 17.066 5.229 -5.312 1.00 0.37 N ATOM 940 CA GLN A 59 17.879 5.776 -6.380 1.00 0.48 C ATOM 941 C GLN A 59 18.734 6.919 -5.831 1.00 0.57 C ATOM 942 O GLN A 59 18.554 7.318 -4.680 1.00 0.58 O ATOM 943 CB GLN A 59 16.958 6.242 -7.518 1.00 0.53 C ATOM 944 CG GLN A 59 17.664 6.766 -8.755 1.00 1.13 C ATOM 945 CD GLN A 59 16.706 6.986 -9.911 1.00 1.75 C ATOM 946 OE1 GLN A 59 16.502 6.097 -10.740 1.00 2.50 O ATOM 947 NE2 GLN A 59 16.097 8.160 -9.966 1.00 2.33 N ATOM 0 H GLN A 59 16.213 5.756 -5.125 1.00 0.37 H new ATOM 0 HA GLN A 59 18.555 5.019 -6.779 1.00 0.48 H new ATOM 0 HB2 GLN A 59 16.320 5.408 -7.811 1.00 0.53 H new ATOM 0 HB3 GLN A 59 16.303 7.025 -7.135 1.00 0.53 H new ATOM 0 HG2 GLN A 59 18.164 7.705 -8.516 1.00 1.13 H new ATOM 0 HG3 GLN A 59 18.438 6.060 -9.056 1.00 1.13 H new ATOM 0 HE21 GLN A 59 16.293 8.870 -9.260 1.00 2.33 H new ATOM 0 HE22 GLN A 59 15.431 8.355 -10.714 1.00 2.33 H new ATOM 956 N GLU A 60 19.644 7.446 -6.635 1.00 0.69 N ATOM 957 CA GLU A 60 20.541 8.516 -6.199 1.00 0.82 C ATOM 958 C GLU A 60 19.774 9.732 -5.660 1.00 0.75 C ATOM 959 O GLU A 60 20.285 10.489 -4.833 1.00 0.89 O ATOM 960 CB GLU A 60 21.426 8.945 -7.371 1.00 1.05 C ATOM 961 CG GLU A 60 20.635 9.440 -8.573 1.00 1.11 C ATOM 962 CD GLU A 60 21.515 9.805 -9.747 1.00 1.47 C ATOM 963 OE1 GLU A 60 22.344 10.724 -9.606 1.00 1.79 O ATOM 964 OE2 GLU A 60 21.366 9.187 -10.820 1.00 1.73 O ATOM 0 H GLU A 60 19.785 7.150 -7.601 1.00 0.69 H new ATOM 0 HA GLU A 60 21.152 8.127 -5.384 1.00 0.82 H new ATOM 0 HB2 GLU A 60 22.100 9.734 -7.038 1.00 1.05 H new ATOM 0 HB3 GLU A 60 22.047 8.103 -7.675 1.00 1.05 H new ATOM 0 HG2 GLU A 60 19.930 8.668 -8.880 1.00 1.11 H new ATOM 0 HG3 GLU A 60 20.047 10.311 -8.281 1.00 1.11 H new ATOM 971 N ASP A 61 18.530 9.876 -6.096 1.00 0.64 N ATOM 972 CA ASP A 61 17.755 11.089 -5.848 1.00 0.70 C ATOM 973 C ASP A 61 16.707 10.846 -4.760 1.00 0.54 C ATOM 974 O ASP A 61 15.716 11.565 -4.668 1.00 0.50 O ATOM 975 CB ASP A 61 17.093 11.520 -7.168 1.00 0.92 C ATOM 976 CG ASP A 61 16.457 12.897 -7.120 1.00 1.18 C ATOM 977 OD1 ASP A 61 17.171 13.876 -6.801 1.00 1.41 O ATOM 978 OD2 ASP A 61 15.238 12.997 -7.357 1.00 1.26 O ATOM 0 H ASP A 61 18.031 9.163 -6.628 1.00 0.64 H new ATOM 0 HA ASP A 61 18.411 11.884 -5.493 1.00 0.70 H new ATOM 0 HB2 ASP A 61 17.842 11.505 -7.960 1.00 0.92 H new ATOM 0 HB3 ASP A 61 16.331 10.788 -7.436 1.00 0.92 H new ATOM 983 N ASN A 62 16.951 9.813 -3.934 1.00 0.52 N ATOM 984 CA ASN A 62 15.995 9.320 -2.914 1.00 0.46 C ATOM 985 C ASN A 62 14.579 9.142 -3.460 1.00 0.36 C ATOM 986 O ASN A 62 13.619 9.010 -2.701 1.00 0.41 O ATOM 987 CB ASN A 62 15.989 10.135 -1.601 1.00 0.57 C ATOM 988 CG ASN A 62 16.105 11.640 -1.773 1.00 0.70 C ATOM 989 OD1 ASN A 62 15.102 12.343 -1.880 1.00 1.36 O ATOM 990 ND2 ASN A 62 17.332 12.147 -1.781 1.00 1.35 N ATOM 0 H ASN A 62 17.825 9.288 -3.952 1.00 0.52 H new ATOM 0 HA ASN A 62 16.375 8.332 -2.654 1.00 0.46 H new ATOM 0 HB2 ASN A 62 15.067 9.917 -1.061 1.00 0.57 H new ATOM 0 HB3 ASN A 62 16.813 9.792 -0.976 1.00 0.57 H new ATOM 0 HD21 ASN A 62 17.467 13.153 -1.878 1.00 1.35 H new ATOM 0 HD22 ASN A 62 18.139 11.530 -1.690 1.00 1.35 H new ATOM 997 N SER A 63 14.460 9.122 -4.776 1.00 0.34 N ATOM 998 CA SER A 63 13.261 8.664 -5.426 1.00 0.30 C ATOM 999 C SER A 63 13.391 7.164 -5.579 1.00 0.29 C ATOM 1000 O SER A 63 14.411 6.673 -6.055 1.00 0.31 O ATOM 1001 CB SER A 63 13.091 9.351 -6.787 1.00 0.35 C ATOM 1002 OG SER A 63 14.270 9.247 -7.573 1.00 0.96 O ATOM 0 H SER A 63 15.194 9.424 -5.416 1.00 0.34 H new ATOM 0 HA SER A 63 12.376 8.910 -4.839 1.00 0.30 H new ATOM 0 HB2 SER A 63 12.255 8.900 -7.322 1.00 0.35 H new ATOM 0 HB3 SER A 63 12.844 10.402 -6.637 1.00 0.35 H new ATOM 0 HG SER A 63 14.639 8.343 -7.491 1.00 0.96 H new ATOM 1008 N TYR A 64 12.404 6.426 -5.140 1.00 0.28 N ATOM 1009 CA TYR A 64 12.506 4.990 -5.181 1.00 0.28 C ATOM 1010 C TYR A 64 11.970 4.486 -6.500 1.00 0.29 C ATOM 1011 O TYR A 64 10.882 4.880 -6.928 1.00 0.30 O ATOM 1012 CB TYR A 64 11.706 4.364 -4.030 1.00 0.28 C ATOM 1013 CG TYR A 64 12.058 4.908 -2.654 1.00 0.31 C ATOM 1014 CD1 TYR A 64 13.360 5.281 -2.334 1.00 0.31 C ATOM 1015 CD2 TYR A 64 11.081 5.047 -1.676 1.00 0.39 C ATOM 1016 CE1 TYR A 64 13.680 5.779 -1.078 1.00 0.36 C ATOM 1017 CE2 TYR A 64 11.389 5.543 -0.423 1.00 0.45 C ATOM 1018 CZ TYR A 64 12.687 5.907 -0.129 1.00 0.42 C ATOM 1019 OH TYR A 64 12.991 6.405 1.118 1.00 0.49 O ATOM 0 H TYR A 64 11.532 6.789 -4.755 1.00 0.28 H new ATOM 0 HA TYR A 64 13.553 4.707 -5.076 1.00 0.28 H new ATOM 0 HB2 TYR A 64 10.644 4.527 -4.211 1.00 0.28 H new ATOM 0 HB3 TYR A 64 11.869 3.286 -4.034 1.00 0.28 H new ATOM 0 HD1 TYR A 64 14.137 5.181 -3.077 1.00 0.31 H new ATOM 0 HD2 TYR A 64 10.063 4.763 -1.899 1.00 0.39 H new ATOM 0 HE1 TYR A 64 14.696 6.063 -0.846 1.00 0.36 H new ATOM 0 HE2 TYR A 64 10.616 5.645 0.324 1.00 0.45 H new ATOM 0 HH TYR A 64 12.179 6.432 1.666 1.00 0.49 H new ATOM 1029 N ASN A 65 12.725 3.617 -7.142 1.00 0.32 N ATOM 1030 CA ASN A 65 12.219 2.913 -8.292 1.00 0.36 C ATOM 1031 C ASN A 65 11.579 1.643 -7.785 1.00 0.32 C ATOM 1032 O ASN A 65 12.240 0.665 -7.442 1.00 0.37 O ATOM 1033 CB ASN A 65 13.310 2.651 -9.347 1.00 0.48 C ATOM 1034 CG ASN A 65 14.520 1.899 -8.825 1.00 1.24 C ATOM 1035 OD1 ASN A 65 15.423 2.489 -8.232 1.00 2.02 O ATOM 1036 ND2 ASN A 65 14.571 0.600 -9.084 1.00 1.96 N ATOM 0 H ASN A 65 13.685 3.386 -6.885 1.00 0.32 H new ATOM 0 HA ASN A 65 11.480 3.520 -8.814 1.00 0.36 H new ATOM 0 HB2 ASN A 65 12.874 2.086 -10.170 1.00 0.48 H new ATOM 0 HB3 ASN A 65 13.640 3.606 -9.756 1.00 0.48 H new ATOM 0 HD21 ASN A 65 15.380 0.053 -8.789 1.00 1.96 H new ATOM 0 HD22 ASN A 65 13.802 0.148 -9.578 1.00 1.96 H new ATOM 1043 N VAL A 66 10.277 1.698 -7.688 1.00 0.31 N ATOM 1044 CA VAL A 66 9.516 0.653 -7.066 1.00 0.29 C ATOM 1045 C VAL A 66 8.977 -0.299 -8.105 1.00 0.31 C ATOM 1046 O VAL A 66 8.245 0.091 -9.015 1.00 0.37 O ATOM 1047 CB VAL A 66 8.391 1.250 -6.206 1.00 0.37 C ATOM 1048 CG1 VAL A 66 7.226 0.281 -6.045 1.00 0.67 C ATOM 1049 CG2 VAL A 66 8.958 1.644 -4.847 1.00 0.65 C ATOM 0 H VAL A 66 9.715 2.473 -8.040 1.00 0.31 H new ATOM 0 HA VAL A 66 10.171 0.083 -6.407 1.00 0.29 H new ATOM 0 HB VAL A 66 7.999 2.133 -6.711 1.00 0.37 H new ATOM 0 HG11 VAL A 66 6.452 0.741 -5.431 1.00 0.67 H new ATOM 0 HG12 VAL A 66 6.815 0.040 -7.025 1.00 0.67 H new ATOM 0 HG13 VAL A 66 7.576 -0.632 -5.564 1.00 0.67 H new ATOM 0 HG21 VAL A 66 8.165 2.069 -4.231 1.00 0.65 H new ATOM 0 HG22 VAL A 66 9.368 0.762 -4.354 1.00 0.65 H new ATOM 0 HG23 VAL A 66 9.747 2.383 -4.983 1.00 0.65 H new ATOM 1059 N THR A 67 9.365 -1.543 -7.967 1.00 0.34 N ATOM 1060 CA THR A 67 9.037 -2.546 -8.946 1.00 0.39 C ATOM 1061 C THR A 67 7.806 -3.330 -8.503 1.00 0.47 C ATOM 1062 O THR A 67 7.919 -4.255 -7.708 1.00 0.71 O ATOM 1063 CB THR A 67 10.219 -3.513 -9.127 1.00 0.48 C ATOM 1064 OG1 THR A 67 11.450 -2.773 -9.118 1.00 0.58 O ATOM 1065 CG2 THR A 67 10.097 -4.272 -10.434 1.00 0.74 C ATOM 0 H THR A 67 9.913 -1.886 -7.178 1.00 0.34 H new ATOM 0 HA THR A 67 8.827 -2.050 -9.894 1.00 0.39 H new ATOM 0 HB THR A 67 10.210 -4.229 -8.305 1.00 0.48 H new ATOM 0 HG1 THR A 67 12.203 -3.390 -9.232 1.00 0.58 H new ATOM 0 HG21 THR A 67 10.944 -4.950 -10.541 1.00 0.74 H new ATOM 0 HG22 THR A 67 9.170 -4.846 -10.437 1.00 0.74 H new ATOM 0 HG23 THR A 67 10.089 -3.567 -11.265 1.00 0.74 H new ATOM 1073 N SER A 68 6.640 -2.944 -8.998 1.00 0.44 N ATOM 1074 CA SER A 68 5.397 -3.618 -8.650 1.00 0.52 C ATOM 1075 C SER A 68 5.013 -4.610 -9.742 1.00 0.53 C ATOM 1076 O SER A 68 4.516 -4.225 -10.796 1.00 0.65 O ATOM 1077 CB SER A 68 4.282 -2.589 -8.452 1.00 0.60 C ATOM 1078 OG SER A 68 4.631 -1.643 -7.454 1.00 1.14 O ATOM 0 H SER A 68 6.528 -2.164 -9.645 1.00 0.44 H new ATOM 0 HA SER A 68 5.540 -4.165 -7.718 1.00 0.52 H new ATOM 0 HB2 SER A 68 4.087 -2.074 -9.393 1.00 0.60 H new ATOM 0 HB3 SER A 68 3.360 -3.097 -8.169 1.00 0.60 H new ATOM 0 HG SER A 68 3.903 -0.996 -7.348 1.00 1.14 H new ATOM 1084 N ILE A 69 5.256 -5.885 -9.490 1.00 0.53 N ATOM 1085 CA ILE A 69 5.016 -6.918 -10.488 1.00 0.53 C ATOM 1086 C ILE A 69 3.538 -7.293 -10.576 1.00 0.60 C ATOM 1087 O ILE A 69 2.867 -7.463 -9.564 1.00 0.74 O ATOM 1088 CB ILE A 69 5.863 -8.179 -10.200 1.00 0.54 C ATOM 1089 CG1 ILE A 69 5.566 -9.263 -11.248 1.00 0.66 C ATOM 1090 CG2 ILE A 69 5.626 -8.682 -8.777 1.00 0.57 C ATOM 1091 CD1 ILE A 69 6.339 -10.549 -11.052 1.00 0.78 C ATOM 0 H ILE A 69 5.620 -6.232 -8.602 1.00 0.53 H new ATOM 0 HA ILE A 69 5.317 -6.502 -11.450 1.00 0.53 H new ATOM 0 HB ILE A 69 6.919 -7.921 -10.274 1.00 0.54 H new ATOM 0 HG12 ILE A 69 4.500 -9.488 -11.229 1.00 0.66 H new ATOM 0 HG13 ILE A 69 5.790 -8.866 -12.238 1.00 0.66 H new ATOM 0 HG21 ILE A 69 6.233 -9.570 -8.599 1.00 0.57 H new ATOM 0 HG22 ILE A 69 5.903 -7.904 -8.065 1.00 0.57 H new ATOM 0 HG23 ILE A 69 4.573 -8.931 -8.650 1.00 0.57 H new ATOM 0 HD11 ILE A 69 6.069 -11.258 -11.834 1.00 0.78 H new ATOM 0 HD12 ILE A 69 7.408 -10.342 -11.103 1.00 0.78 H new ATOM 0 HD13 ILE A 69 6.097 -10.974 -10.078 1.00 0.78 H new ATOM 1103 N LEU A 70 3.045 -7.411 -11.800 1.00 0.56 N ATOM 1104 CA LEU A 70 1.669 -7.812 -12.048 1.00 0.64 C ATOM 1105 C LEU A 70 1.645 -8.868 -13.141 1.00 0.64 C ATOM 1106 O LEU A 70 2.685 -9.210 -13.707 1.00 0.67 O ATOM 1107 CB LEU A 70 0.795 -6.620 -12.475 1.00 0.74 C ATOM 1108 CG LEU A 70 1.344 -5.221 -12.171 1.00 0.66 C ATOM 1109 CD1 LEU A 70 2.319 -4.776 -13.248 1.00 0.96 C ATOM 1110 CD2 LEU A 70 0.209 -4.220 -12.045 1.00 1.18 C ATOM 0 H LEU A 70 3.586 -7.232 -12.646 1.00 0.56 H new ATOM 0 HA LEU A 70 1.262 -8.212 -11.119 1.00 0.64 H new ATOM 0 HB2 LEU A 70 0.622 -6.692 -13.549 1.00 0.74 H new ATOM 0 HB3 LEU A 70 -0.176 -6.718 -11.989 1.00 0.74 H new ATOM 0 HG LEU A 70 1.878 -5.267 -11.222 1.00 0.66 H new ATOM 0 HD11 LEU A 70 2.695 -3.781 -13.010 1.00 0.96 H new ATOM 0 HD12 LEU A 70 3.153 -5.477 -13.296 1.00 0.96 H new ATOM 0 HD13 LEU A 70 1.810 -4.751 -14.212 1.00 0.96 H new ATOM 0 HD21 LEU A 70 0.617 -3.233 -11.829 1.00 1.18 H new ATOM 0 HD22 LEU A 70 -0.351 -4.185 -12.980 1.00 1.18 H new ATOM 0 HD23 LEU A 70 -0.455 -4.523 -11.236 1.00 1.18 H new ATOM 1122 N VAL A 71 0.470 -9.401 -13.422 1.00 0.70 N ATOM 1123 CA VAL A 71 0.325 -10.388 -14.475 1.00 0.74 C ATOM 1124 C VAL A 71 -0.175 -9.712 -15.742 1.00 0.83 C ATOM 1125 O VAL A 71 -1.361 -9.401 -15.874 1.00 0.99 O ATOM 1126 CB VAL A 71 -0.627 -11.525 -14.061 1.00 0.82 C ATOM 1127 CG1 VAL A 71 -0.537 -12.680 -15.042 1.00 0.88 C ATOM 1128 CG2 VAL A 71 -0.304 -11.990 -12.654 1.00 0.84 C ATOM 0 H VAL A 71 -0.396 -9.167 -12.936 1.00 0.70 H new ATOM 0 HA VAL A 71 1.302 -10.834 -14.661 1.00 0.74 H new ATOM 0 HB VAL A 71 -1.649 -11.147 -14.075 1.00 0.82 H new ATOM 0 HG11 VAL A 71 -1.217 -13.474 -14.733 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -0.813 -12.334 -16.038 1.00 0.88 H new ATOM 0 HG13 VAL A 71 0.483 -13.063 -15.061 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -0.983 -12.794 -12.372 1.00 0.84 H new ATOM 0 HG22 VAL A 71 0.723 -12.353 -12.618 1.00 0.84 H new ATOM 0 HG23 VAL A 71 -0.419 -11.157 -11.960 1.00 0.84 H new ATOM 1138 N ARG A 72 0.743 -9.489 -16.671 1.00 0.83 N ATOM 1139 CA ARG A 72 0.476 -8.670 -17.841 1.00 0.95 C ATOM 1140 C ARG A 72 0.673 -9.469 -19.121 1.00 1.12 C ATOM 1141 O ARG A 72 1.773 -9.952 -19.398 1.00 1.43 O ATOM 1142 CB ARG A 72 1.413 -7.460 -17.840 1.00 1.03 C ATOM 1143 CG ARG A 72 1.412 -6.687 -16.529 1.00 1.02 C ATOM 1144 CD ARG A 72 2.452 -5.577 -16.528 1.00 1.01 C ATOM 1145 NE ARG A 72 2.135 -4.526 -17.493 1.00 1.53 N ATOM 1146 CZ ARG A 72 2.945 -3.507 -17.786 1.00 2.19 C ATOM 1147 NH1 ARG A 72 4.123 -3.384 -17.181 1.00 2.48 N ATOM 1148 NH2 ARG A 72 2.573 -2.603 -18.683 1.00 2.99 N ATOM 0 H ARG A 72 1.689 -9.869 -16.634 1.00 0.83 H new ATOM 0 HA ARG A 72 -0.561 -8.336 -17.802 1.00 0.95 H new ATOM 0 HB2 ARG A 72 2.428 -7.797 -18.052 1.00 1.03 H new ATOM 0 HB3 ARG A 72 1.125 -6.788 -18.648 1.00 1.03 H new ATOM 0 HG2 ARG A 72 0.424 -6.260 -16.360 1.00 1.02 H new ATOM 0 HG3 ARG A 72 1.609 -7.371 -15.703 1.00 1.02 H new ATOM 0 HD2 ARG A 72 2.519 -5.144 -15.530 1.00 1.01 H new ATOM 0 HD3 ARG A 72 3.431 -5.998 -16.759 1.00 1.01 H new ATOM 0 HE ARG A 72 1.237 -4.575 -17.973 1.00 1.53 H new ATOM 0 HH11 ARG A 72 4.414 -4.072 -16.486 1.00 2.48 H new ATOM 0 HH12 ARG A 72 4.736 -2.602 -17.412 1.00 2.48 H new ATOM 0 HH21 ARG A 72 1.669 -2.688 -19.148 1.00 2.99 H new ATOM 0 HH22 ARG A 72 3.191 -1.823 -18.908 1.00 2.99 H new ATOM 1162 N GLY A 73 -0.396 -9.603 -19.889 1.00 1.41 N ATOM 1163 CA GLY A 73 -0.322 -10.289 -21.164 1.00 1.65 C ATOM 1164 C GLY A 73 -0.092 -11.779 -21.021 1.00 1.69 C ATOM 1165 O GLY A 73 0.760 -12.345 -21.713 1.00 2.28 O ATOM 0 H GLY A 73 -1.321 -9.246 -19.651 1.00 1.41 H new ATOM 0 HA2 GLY A 73 -1.247 -10.121 -21.715 1.00 1.65 H new ATOM 0 HA3 GLY A 73 0.485 -9.857 -21.756 1.00 1.65 H new ATOM 1169 N GLN A 74 -0.852 -12.410 -20.126 1.00 1.63 N ATOM 1170 CA GLN A 74 -0.764 -13.852 -19.903 1.00 1.87 C ATOM 1171 C GLN A 74 0.657 -14.242 -19.481 1.00 1.45 C ATOM 1172 O GLN A 74 1.232 -15.229 -19.946 1.00 1.77 O ATOM 1173 CB GLN A 74 -1.219 -14.612 -21.161 1.00 2.56 C ATOM 1174 CG GLN A 74 -1.366 -16.116 -20.976 1.00 3.31 C ATOM 1175 CD GLN A 74 -2.109 -16.486 -19.708 1.00 4.11 C ATOM 1176 OE1 GLN A 74 -1.500 -16.708 -18.661 1.00 4.39 O ATOM 1177 NE2 GLN A 74 -3.426 -16.546 -19.789 1.00 4.91 N ATOM 0 H GLN A 74 -1.541 -11.940 -19.539 1.00 1.63 H new ATOM 0 HA GLN A 74 -1.433 -14.131 -19.089 1.00 1.87 H new ATOM 0 HB2 GLN A 74 -2.175 -14.205 -21.489 1.00 2.56 H new ATOM 0 HB3 GLN A 74 -0.502 -14.426 -21.961 1.00 2.56 H new ATOM 0 HG2 GLN A 74 -1.893 -16.532 -21.834 1.00 3.31 H new ATOM 0 HG3 GLN A 74 -0.377 -16.573 -20.957 1.00 3.31 H new ATOM 0 HE21 GLN A 74 -3.892 -16.355 -20.676 1.00 4.91 H new ATOM 0 HE22 GLN A 74 -3.977 -16.783 -18.964 1.00 4.91 H new ATOM 1186 N GLY A 75 1.220 -13.432 -18.604 1.00 0.97 N ATOM 1187 CA GLY A 75 2.529 -13.702 -18.055 1.00 0.88 C ATOM 1188 C GLY A 75 2.787 -12.800 -16.880 1.00 0.81 C ATOM 1189 O GLY A 75 1.913 -12.034 -16.497 1.00 0.81 O ATOM 0 H GLY A 75 0.785 -12.577 -18.257 1.00 0.97 H new ATOM 0 HA2 GLY A 75 2.595 -14.745 -17.745 1.00 0.88 H new ATOM 0 HA3 GLY A 75 3.292 -13.547 -18.818 1.00 0.88 H new ATOM 1193 N CYS A 76 3.980 -12.827 -16.331 1.00 0.79 N ATOM 1194 CA CYS A 76 4.267 -12.001 -15.176 1.00 0.73 C ATOM 1195 C CYS A 76 5.236 -10.902 -15.590 1.00 0.75 C ATOM 1196 O CYS A 76 6.266 -11.176 -16.201 1.00 0.92 O ATOM 1197 CB CYS A 76 4.873 -12.845 -14.046 1.00 0.78 C ATOM 1198 SG CYS A 76 6.358 -13.790 -14.532 1.00 1.26 S ATOM 0 H CYS A 76 4.757 -13.401 -16.657 1.00 0.79 H new ATOM 0 HA CYS A 76 3.342 -11.559 -14.806 1.00 0.73 H new ATOM 0 HB2 CYS A 76 5.130 -12.188 -13.215 1.00 0.78 H new ATOM 0 HB3 CYS A 76 4.117 -13.540 -13.681 1.00 0.78 H new ATOM 1203 N ARG A 77 4.903 -9.664 -15.270 1.00 0.65 N ATOM 1204 CA ARG A 77 5.675 -8.527 -15.741 1.00 0.67 C ATOM 1205 C ARG A 77 5.702 -7.435 -14.681 1.00 0.57 C ATOM 1206 O ARG A 77 4.700 -7.182 -14.012 1.00 0.56 O ATOM 1207 CB ARG A 77 5.061 -8.007 -17.038 1.00 0.79 C ATOM 1208 CG ARG A 77 5.877 -6.932 -17.728 1.00 1.22 C ATOM 1209 CD ARG A 77 5.240 -6.527 -19.044 1.00 1.46 C ATOM 1210 NE ARG A 77 5.987 -5.470 -19.716 1.00 2.14 N ATOM 1211 CZ ARG A 77 5.728 -5.044 -20.951 1.00 2.81 C ATOM 1212 NH1 ARG A 77 4.765 -5.610 -21.671 1.00 3.04 N ATOM 1213 NH2 ARG A 77 6.446 -4.060 -21.473 1.00 3.68 N ATOM 0 H ARG A 77 4.103 -9.420 -14.686 1.00 0.65 H new ATOM 0 HA ARG A 77 6.703 -8.836 -15.933 1.00 0.67 H new ATOM 0 HB2 ARG A 77 4.929 -8.843 -17.725 1.00 0.79 H new ATOM 0 HB3 ARG A 77 4.068 -7.611 -16.823 1.00 0.79 H new ATOM 0 HG2 ARG A 77 5.962 -6.061 -17.078 1.00 1.22 H new ATOM 0 HG3 ARG A 77 6.889 -7.297 -17.906 1.00 1.22 H new ATOM 0 HD2 ARG A 77 5.177 -7.397 -19.698 1.00 1.46 H new ATOM 0 HD3 ARG A 77 4.219 -6.190 -18.863 1.00 1.46 H new ATOM 0 HE ARG A 77 6.755 -5.030 -19.209 1.00 2.14 H new ATOM 0 HH11 ARG A 77 4.218 -6.376 -21.278 1.00 3.04 H new ATOM 0 HH12 ARG A 77 4.573 -5.278 -22.616 1.00 3.04 H new ATOM 0 HH21 ARG A 77 7.195 -3.631 -20.929 1.00 3.68 H new ATOM 0 HH22 ARG A 77 6.250 -3.732 -22.419 1.00 3.68 H new ATOM 1227 N TYR A 78 6.844 -6.793 -14.536 1.00 0.56 N ATOM 1228 CA TYR A 78 7.039 -5.807 -13.485 1.00 0.48 C ATOM 1229 C TYR A 78 6.626 -4.412 -13.944 1.00 0.47 C ATOM 1230 O TYR A 78 6.958 -3.980 -15.048 1.00 0.53 O ATOM 1231 CB TYR A 78 8.506 -5.803 -13.042 1.00 0.47 C ATOM 1232 CG TYR A 78 8.984 -7.133 -12.483 1.00 0.53 C ATOM 1233 CD1 TYR A 78 8.690 -7.526 -11.178 1.00 0.47 C ATOM 1234 CD2 TYR A 78 9.730 -8.001 -13.271 1.00 0.70 C ATOM 1235 CE1 TYR A 78 9.126 -8.739 -10.684 1.00 0.54 C ATOM 1236 CE2 TYR A 78 10.170 -9.216 -12.779 1.00 0.79 C ATOM 1237 CZ TYR A 78 9.863 -9.580 -11.487 1.00 0.70 C ATOM 1238 OH TYR A 78 10.284 -10.795 -10.997 1.00 0.80 O ATOM 0 H TYR A 78 7.657 -6.936 -15.135 1.00 0.56 H new ATOM 0 HA TYR A 78 6.405 -6.081 -12.642 1.00 0.48 H new ATOM 0 HB2 TYR A 78 9.131 -5.532 -13.892 1.00 0.47 H new ATOM 0 HB3 TYR A 78 8.645 -5.031 -12.285 1.00 0.47 H new ATOM 0 HD1 TYR A 78 8.112 -6.871 -10.543 1.00 0.47 H new ATOM 0 HD2 TYR A 78 9.970 -7.722 -14.286 1.00 0.70 H new ATOM 0 HE1 TYR A 78 8.890 -9.027 -9.670 1.00 0.54 H new ATOM 0 HE2 TYR A 78 10.752 -9.876 -13.405 1.00 0.79 H new ATOM 0 HH TYR A 78 10.791 -11.269 -11.689 1.00 0.80 H new ATOM 1248 N TRP A 79 5.871 -3.724 -13.101 1.00 0.47 N ATOM 1249 CA TRP A 79 5.545 -2.326 -13.322 1.00 0.51 C ATOM 1250 C TRP A 79 6.381 -1.482 -12.377 1.00 0.46 C ATOM 1251 O TRP A 79 6.118 -1.436 -11.177 1.00 0.45 O ATOM 1252 CB TRP A 79 4.058 -2.072 -13.059 1.00 0.61 C ATOM 1253 CG TRP A 79 3.585 -0.710 -13.487 1.00 0.72 C ATOM 1254 CD1 TRP A 79 3.949 0.494 -12.953 1.00 1.33 C ATOM 1255 CD2 TRP A 79 2.641 -0.417 -14.526 1.00 1.44 C ATOM 1256 NE1 TRP A 79 3.307 1.516 -13.608 1.00 1.23 N ATOM 1257 CE2 TRP A 79 2.496 0.982 -14.576 1.00 1.32 C ATOM 1258 CE3 TRP A 79 1.910 -1.202 -15.423 1.00 2.64 C ATOM 1259 CZ2 TRP A 79 1.652 1.612 -15.485 1.00 2.09 C ATOM 1260 CZ3 TRP A 79 1.072 -0.575 -16.324 1.00 3.53 C ATOM 1261 CH2 TRP A 79 0.948 0.819 -16.350 1.00 3.20 C ATOM 0 H TRP A 79 5.470 -4.117 -12.250 1.00 0.47 H new ATOM 0 HA TRP A 79 5.759 -2.063 -14.358 1.00 0.51 H new ATOM 0 HB2 TRP A 79 3.473 -2.829 -13.581 1.00 0.61 H new ATOM 0 HB3 TRP A 79 3.862 -2.195 -11.994 1.00 0.61 H new ATOM 0 HD1 TRP A 79 4.641 0.623 -12.134 1.00 1.33 H new ATOM 0 HE1 TRP A 79 3.416 2.510 -13.407 1.00 1.23 H new ATOM 0 HE3 TRP A 79 1.999 -2.278 -15.411 1.00 2.64 H new ATOM 0 HZ2 TRP A 79 1.556 2.687 -15.507 1.00 2.09 H new ATOM 0 HZ3 TRP A 79 0.502 -1.171 -17.021 1.00 3.53 H new ATOM 0 HH2 TRP A 79 0.283 1.278 -17.067 1.00 3.20 H new ATOM 1272 N ILE A 80 7.386 -0.817 -12.905 1.00 0.46 N ATOM 1273 CA ILE A 80 8.283 -0.055 -12.061 1.00 0.42 C ATOM 1274 C ILE A 80 7.919 1.425 -12.102 1.00 0.42 C ATOM 1275 O ILE A 80 7.924 2.050 -13.164 1.00 0.49 O ATOM 1276 CB ILE A 80 9.772 -0.250 -12.442 1.00 0.43 C ATOM 1277 CG1 ILE A 80 10.141 -1.740 -12.541 1.00 0.48 C ATOM 1278 CG2 ILE A 80 10.653 0.418 -11.399 1.00 0.40 C ATOM 1279 CD1 ILE A 80 9.735 -2.412 -13.837 1.00 0.55 C ATOM 0 H ILE A 80 7.602 -0.787 -13.902 1.00 0.46 H new ATOM 0 HA ILE A 80 8.161 -0.433 -11.046 1.00 0.42 H new ATOM 0 HB ILE A 80 9.932 0.204 -13.420 1.00 0.43 H new ATOM 0 HG12 ILE A 80 11.219 -1.841 -12.418 1.00 0.48 H new ATOM 0 HG13 ILE A 80 9.674 -2.271 -11.711 1.00 0.48 H new ATOM 0 HG21 ILE A 80 11.701 0.281 -11.666 1.00 0.40 H new ATOM 0 HG22 ILE A 80 10.425 1.483 -11.358 1.00 0.40 H new ATOM 0 HG23 ILE A 80 10.466 -0.031 -10.423 1.00 0.40 H new ATOM 0 HD11 ILE A 80 10.037 -3.459 -13.814 1.00 0.55 H new ATOM 0 HD12 ILE A 80 8.653 -2.349 -13.956 1.00 0.55 H new ATOM 0 HD13 ILE A 80 10.222 -1.912 -14.674 1.00 0.55 H new ATOM 1291 N ARG A 81 7.585 1.969 -10.941 1.00 0.41 N ATOM 1292 CA ARG A 81 7.188 3.364 -10.822 1.00 0.44 C ATOM 1293 C ARG A 81 7.995 4.035 -9.715 1.00 0.35 C ATOM 1294 O ARG A 81 8.841 3.396 -9.100 1.00 0.42 O ATOM 1295 CB ARG A 81 5.684 3.461 -10.556 1.00 0.57 C ATOM 1296 CG ARG A 81 5.231 2.869 -9.230 1.00 1.21 C ATOM 1297 CD ARG A 81 3.716 2.734 -9.196 1.00 1.97 C ATOM 1298 NE ARG A 81 3.052 3.935 -9.707 1.00 2.78 N ATOM 1299 CZ ARG A 81 1.900 3.922 -10.385 1.00 3.79 C ATOM 1300 NH1 ARG A 81 1.251 2.780 -10.582 1.00 4.16 N ATOM 1301 NH2 ARG A 81 1.397 5.056 -10.870 1.00 4.76 N ATOM 0 H ARG A 81 7.581 1.458 -10.058 1.00 0.41 H new ATOM 0 HA ARG A 81 7.395 3.885 -11.757 1.00 0.44 H new ATOM 0 HB2 ARG A 81 5.391 4.510 -10.589 1.00 0.57 H new ATOM 0 HB3 ARG A 81 5.153 2.956 -11.363 1.00 0.57 H new ATOM 0 HG2 ARG A 81 5.692 1.892 -9.085 1.00 1.21 H new ATOM 0 HG3 ARG A 81 5.564 3.504 -8.409 1.00 1.21 H new ATOM 0 HD2 ARG A 81 3.414 1.871 -9.790 1.00 1.97 H new ATOM 0 HD3 ARG A 81 3.391 2.546 -8.173 1.00 1.97 H new ATOM 0 HE ARG A 81 3.496 4.837 -9.535 1.00 2.78 H new ATOM 0 HH11 ARG A 81 1.631 1.907 -10.215 1.00 4.16 H new ATOM 0 HH12 ARG A 81 0.372 2.776 -11.100 1.00 4.16 H new ATOM 0 HH21 ARG A 81 1.891 5.936 -10.724 1.00 4.76 H new ATOM 0 HH22 ARG A 81 0.518 5.044 -11.387 1.00 4.76 H new ATOM 1315 N THR A 82 7.746 5.310 -9.457 1.00 0.41 N ATOM 1316 CA THR A 82 8.588 6.059 -8.535 1.00 0.35 C ATOM 1317 C THR A 82 7.841 6.447 -7.260 1.00 0.32 C ATOM 1318 O THR A 82 6.754 7.021 -7.314 1.00 0.36 O ATOM 1319 CB THR A 82 9.148 7.326 -9.219 1.00 0.38 C ATOM 1320 OG1 THR A 82 9.687 6.977 -10.502 1.00 0.45 O ATOM 1321 CG2 THR A 82 10.241 7.984 -8.378 1.00 0.36 C ATOM 0 H THR A 82 6.978 5.843 -9.867 1.00 0.41 H new ATOM 0 HA THR A 82 9.412 5.404 -8.253 1.00 0.35 H new ATOM 0 HB THR A 82 8.329 8.037 -9.330 1.00 0.38 H new ATOM 0 HG1 THR A 82 10.041 7.780 -10.938 1.00 0.45 H new ATOM 0 HG21 THR A 82 10.610 8.872 -8.892 1.00 0.36 H new ATOM 0 HG22 THR A 82 9.832 8.269 -7.409 1.00 0.36 H new ATOM 0 HG23 THR A 82 11.061 7.281 -8.233 1.00 0.36 H new ATOM 1329 N PHE A 83 8.427 6.109 -6.118 1.00 0.27 N ATOM 1330 CA PHE A 83 7.943 6.570 -4.821 1.00 0.26 C ATOM 1331 C PHE A 83 8.962 7.523 -4.220 1.00 0.26 C ATOM 1332 O PHE A 83 10.148 7.237 -4.203 1.00 0.36 O ATOM 1333 CB PHE A 83 7.713 5.398 -3.857 1.00 0.26 C ATOM 1334 CG PHE A 83 6.420 4.652 -4.052 1.00 0.29 C ATOM 1335 CD1 PHE A 83 5.195 5.300 -4.000 1.00 0.37 C ATOM 1336 CD2 PHE A 83 6.438 3.291 -4.268 1.00 0.33 C ATOM 1337 CE1 PHE A 83 4.016 4.591 -4.166 1.00 0.44 C ATOM 1338 CE2 PHE A 83 5.274 2.572 -4.433 1.00 0.38 C ATOM 1339 CZ PHE A 83 4.055 3.223 -4.382 1.00 0.42 C ATOM 0 H PHE A 83 9.250 5.509 -6.064 1.00 0.27 H new ATOM 0 HA PHE A 83 6.989 7.076 -4.972 1.00 0.26 H new ATOM 0 HB2 PHE A 83 8.539 4.695 -3.962 1.00 0.26 H new ATOM 0 HB3 PHE A 83 7.745 5.777 -2.836 1.00 0.26 H new ATOM 0 HD1 PHE A 83 5.160 6.366 -3.829 1.00 0.37 H new ATOM 0 HD2 PHE A 83 7.386 2.776 -4.309 1.00 0.33 H new ATOM 0 HE1 PHE A 83 3.067 5.105 -4.127 1.00 0.44 H new ATOM 0 HE2 PHE A 83 5.314 1.506 -4.601 1.00 0.38 H new ATOM 0 HZ PHE A 83 3.138 2.668 -4.510 1.00 0.42 H new ATOM 1349 N VAL A 84 8.501 8.650 -3.731 1.00 0.24 N ATOM 1350 CA VAL A 84 9.392 9.680 -3.218 1.00 0.24 C ATOM 1351 C VAL A 84 8.901 10.196 -1.873 1.00 0.24 C ATOM 1352 O VAL A 84 7.697 10.250 -1.622 1.00 0.27 O ATOM 1353 CB VAL A 84 9.509 10.867 -4.201 1.00 0.27 C ATOM 1354 CG1 VAL A 84 10.299 10.480 -5.440 1.00 0.30 C ATOM 1355 CG2 VAL A 84 8.132 11.364 -4.591 1.00 0.29 C ATOM 0 H VAL A 84 7.510 8.884 -3.675 1.00 0.24 H new ATOM 0 HA VAL A 84 10.374 9.223 -3.098 1.00 0.24 H new ATOM 0 HB VAL A 84 10.046 11.670 -3.696 1.00 0.27 H new ATOM 0 HG11 VAL A 84 10.364 11.336 -6.112 1.00 0.30 H new ATOM 0 HG12 VAL A 84 11.303 10.170 -5.149 1.00 0.30 H new ATOM 0 HG13 VAL A 84 9.798 9.656 -5.949 1.00 0.30 H new ATOM 0 HG21 VAL A 84 8.230 12.200 -5.284 1.00 0.29 H new ATOM 0 HG22 VAL A 84 7.577 10.558 -5.071 1.00 0.29 H new ATOM 0 HG23 VAL A 84 7.598 11.692 -3.699 1.00 0.29 H new ATOM 1365 N PRO A 85 9.831 10.567 -0.985 1.00 0.35 N ATOM 1366 CA PRO A 85 9.493 11.147 0.311 1.00 0.34 C ATOM 1367 C PRO A 85 8.779 12.484 0.155 1.00 0.38 C ATOM 1368 O PRO A 85 9.147 13.306 -0.686 1.00 0.52 O ATOM 1369 CB PRO A 85 10.852 11.344 0.997 1.00 0.49 C ATOM 1370 CG PRO A 85 11.806 10.491 0.234 1.00 0.78 C ATOM 1371 CD PRO A 85 11.284 10.447 -1.171 1.00 0.56 C ATOM 0 HA PRO A 85 8.815 10.511 0.879 1.00 0.34 H new ATOM 0 HB2 PRO A 85 11.156 12.391 0.974 1.00 0.49 H new ATOM 0 HB3 PRO A 85 10.810 11.047 2.045 1.00 0.49 H new ATOM 0 HG2 PRO A 85 12.813 10.908 0.264 1.00 0.78 H new ATOM 0 HG3 PRO A 85 11.863 9.490 0.661 1.00 0.78 H new ATOM 0 HD2 PRO A 85 11.683 11.262 -1.776 1.00 0.56 H new ATOM 0 HD3 PRO A 85 11.552 9.517 -1.673 1.00 0.56 H new ATOM 1379 N SER A 86 7.742 12.679 0.958 1.00 0.34 N ATOM 1380 CA SER A 86 6.995 13.930 0.980 1.00 0.46 C ATOM 1381 C SER A 86 7.836 15.029 1.651 1.00 0.58 C ATOM 1382 O SER A 86 9.043 15.126 1.422 1.00 0.93 O ATOM 1383 CB SER A 86 5.676 13.722 1.734 1.00 0.53 C ATOM 1384 OG SER A 86 4.831 14.856 1.636 1.00 1.27 O ATOM 0 H SER A 86 7.395 11.977 1.611 1.00 0.34 H new ATOM 0 HA SER A 86 6.772 14.242 -0.040 1.00 0.46 H new ATOM 0 HB2 SER A 86 5.161 12.849 1.333 1.00 0.53 H new ATOM 0 HB3 SER A 86 5.886 13.514 2.783 1.00 0.53 H new ATOM 0 HG SER A 86 3.999 14.688 2.126 1.00 1.27 H new ATOM 1390 N SER A 87 7.207 15.856 2.474 1.00 0.75 N ATOM 1391 CA SER A 87 7.921 16.909 3.179 1.00 0.90 C ATOM 1392 C SER A 87 8.795 16.316 4.284 1.00 0.79 C ATOM 1393 O SER A 87 9.738 16.951 4.756 1.00 0.89 O ATOM 1394 CB SER A 87 6.929 17.911 3.768 1.00 1.12 C ATOM 1395 OG SER A 87 6.045 18.400 2.772 1.00 1.70 O ATOM 0 H SER A 87 6.207 15.818 2.669 1.00 0.75 H new ATOM 0 HA SER A 87 8.567 17.427 2.470 1.00 0.90 H new ATOM 0 HB2 SER A 87 6.357 17.436 4.565 1.00 1.12 H new ATOM 0 HB3 SER A 87 7.471 18.743 4.218 1.00 1.12 H new ATOM 0 HG SER A 87 5.419 19.038 3.175 1.00 1.70 H new ATOM 1401 N ARG A 88 8.486 15.084 4.669 1.00 0.64 N ATOM 1402 CA ARG A 88 9.199 14.408 5.747 1.00 0.58 C ATOM 1403 C ARG A 88 9.332 12.915 5.450 1.00 0.49 C ATOM 1404 O ARG A 88 8.392 12.287 4.944 1.00 0.46 O ATOM 1405 CB ARG A 88 8.486 14.613 7.093 1.00 0.66 C ATOM 1406 CG ARG A 88 7.051 14.096 7.142 1.00 0.75 C ATOM 1407 CD ARG A 88 6.074 15.046 6.473 1.00 1.11 C ATOM 1408 NE ARG A 88 6.096 16.381 7.065 1.00 1.51 N ATOM 1409 CZ ARG A 88 5.118 17.272 6.925 1.00 1.84 C ATOM 1410 NH1 ARG A 88 4.045 16.981 6.198 1.00 1.95 N ATOM 1411 NH2 ARG A 88 5.218 18.461 7.500 1.00 2.59 N ATOM 0 H ARG A 88 7.741 14.529 4.248 1.00 0.64 H new ATOM 0 HA ARG A 88 10.195 14.845 5.813 1.00 0.58 H new ATOM 0 HB2 ARG A 88 9.063 14.117 7.873 1.00 0.66 H new ATOM 0 HB3 ARG A 88 8.482 15.677 7.328 1.00 0.66 H new ATOM 0 HG2 ARG A 88 7.001 13.123 6.653 1.00 0.75 H new ATOM 0 HG3 ARG A 88 6.756 13.947 8.181 1.00 0.75 H new ATOM 0 HD2 ARG A 88 6.312 15.119 5.412 1.00 1.11 H new ATOM 0 HD3 ARG A 88 5.067 14.636 6.546 1.00 1.11 H new ATOM 0 HE ARG A 88 6.910 16.646 7.619 1.00 1.51 H new ATOM 0 HH11 ARG A 88 3.968 16.071 5.744 1.00 1.95 H new ATOM 0 HH12 ARG A 88 3.298 17.668 6.094 1.00 1.95 H new ATOM 0 HH21 ARG A 88 6.045 18.694 8.050 1.00 2.59 H new ATOM 0 HH22 ARG A 88 4.468 19.144 7.393 1.00 2.59 H new ATOM 1425 N PRO A 89 10.508 12.336 5.754 1.00 0.49 N ATOM 1426 CA PRO A 89 10.782 10.913 5.537 1.00 0.48 C ATOM 1427 C PRO A 89 9.770 10.024 6.247 1.00 0.48 C ATOM 1428 O PRO A 89 9.545 10.154 7.447 1.00 0.62 O ATOM 1429 CB PRO A 89 12.182 10.711 6.130 1.00 0.58 C ATOM 1430 CG PRO A 89 12.798 12.065 6.120 1.00 0.70 C ATOM 1431 CD PRO A 89 11.670 13.031 6.342 1.00 0.56 C ATOM 0 HA PRO A 89 10.718 10.644 4.483 1.00 0.48 H new ATOM 0 HB2 PRO A 89 12.129 10.308 7.141 1.00 0.58 H new ATOM 0 HB3 PRO A 89 12.765 10.007 5.537 1.00 0.58 H new ATOM 0 HG2 PRO A 89 13.551 12.157 6.902 1.00 0.70 H new ATOM 0 HG3 PRO A 89 13.298 12.260 5.171 1.00 0.70 H new ATOM 0 HD2 PRO A 89 11.521 13.239 7.402 1.00 0.56 H new ATOM 0 HD3 PRO A 89 11.857 13.987 5.853 1.00 0.56 H new ATOM 1439 N GLY A 90 9.156 9.131 5.492 1.00 0.41 N ATOM 1440 CA GLY A 90 8.120 8.289 6.033 1.00 0.42 C ATOM 1441 C GLY A 90 6.813 8.504 5.308 1.00 0.38 C ATOM 1442 O GLY A 90 6.172 7.550 4.877 1.00 0.43 O ATOM 0 H GLY A 90 9.361 8.975 4.505 1.00 0.41 H new ATOM 0 HA2 GLY A 90 8.417 7.243 5.952 1.00 0.42 H new ATOM 0 HA3 GLY A 90 7.991 8.502 7.094 1.00 0.42 H new ATOM 1446 N GLN A 91 6.432 9.768 5.159 1.00 0.33 N ATOM 1447 CA GLN A 91 5.256 10.126 4.373 1.00 0.31 C ATOM 1448 C GLN A 91 5.648 10.101 2.904 1.00 0.26 C ATOM 1449 O GLN A 91 6.534 10.841 2.486 1.00 0.30 O ATOM 1450 CB GLN A 91 4.737 11.515 4.769 1.00 0.39 C ATOM 1451 CG GLN A 91 3.518 11.964 3.972 1.00 0.61 C ATOM 1452 CD GLN A 91 3.007 13.334 4.386 1.00 0.61 C ATOM 1453 OE1 GLN A 91 3.767 14.186 4.846 1.00 1.11 O ATOM 1454 NE2 GLN A 91 1.717 13.557 4.214 1.00 1.03 N ATOM 0 H GLN A 91 6.920 10.562 5.572 1.00 0.33 H new ATOM 0 HA GLN A 91 4.453 9.414 4.561 1.00 0.31 H new ATOM 0 HB2 GLN A 91 4.485 11.510 5.829 1.00 0.39 H new ATOM 0 HB3 GLN A 91 5.536 12.244 4.635 1.00 0.39 H new ATOM 0 HG2 GLN A 91 3.771 11.982 2.912 1.00 0.61 H new ATOM 0 HG3 GLN A 91 2.720 11.232 4.097 1.00 0.61 H new ATOM 0 HE21 GLN A 91 1.120 12.825 3.830 1.00 1.03 H new ATOM 0 HE22 GLN A 91 1.318 14.461 4.465 1.00 1.03 H new ATOM 1463 N PHE A 92 5.023 9.233 2.135 1.00 0.24 N ATOM 1464 CA PHE A 92 5.427 9.016 0.764 1.00 0.24 C ATOM 1465 C PHE A 92 4.469 9.647 -0.214 1.00 0.26 C ATOM 1466 O PHE A 92 3.264 9.741 0.023 1.00 0.35 O ATOM 1467 CB PHE A 92 5.545 7.524 0.459 1.00 0.31 C ATOM 1468 CG PHE A 92 6.620 6.835 1.236 1.00 0.33 C ATOM 1469 CD1 PHE A 92 7.919 7.312 1.214 1.00 0.32 C ATOM 1470 CD2 PHE A 92 6.333 5.700 1.975 1.00 0.42 C ATOM 1471 CE1 PHE A 92 8.915 6.670 1.919 1.00 0.40 C ATOM 1472 CE2 PHE A 92 7.323 5.054 2.684 1.00 0.50 C ATOM 1473 CZ PHE A 92 8.616 5.539 2.655 1.00 0.48 C ATOM 0 H PHE A 92 4.231 8.666 2.439 1.00 0.24 H new ATOM 0 HA PHE A 92 6.401 9.491 0.648 1.00 0.24 H new ATOM 0 HB2 PHE A 92 4.590 7.042 0.671 1.00 0.31 H new ATOM 0 HB3 PHE A 92 5.738 7.394 -0.606 1.00 0.31 H new ATOM 0 HD1 PHE A 92 8.155 8.195 0.639 1.00 0.32 H new ATOM 0 HD2 PHE A 92 5.323 5.317 1.996 1.00 0.42 H new ATOM 0 HE1 PHE A 92 9.926 7.050 1.896 1.00 0.40 H new ATOM 0 HE2 PHE A 92 7.088 4.171 3.260 1.00 0.50 H new ATOM 0 HZ PHE A 92 9.394 5.034 3.208 1.00 0.48 H new ATOM 1483 N THR A 93 5.045 10.072 -1.310 1.00 0.23 N ATOM 1484 CA THR A 93 4.325 10.597 -2.442 1.00 0.27 C ATOM 1485 C THR A 93 4.816 9.852 -3.678 1.00 0.26 C ATOM 1486 O THR A 93 5.706 9.002 -3.573 1.00 0.25 O ATOM 1487 CB THR A 93 4.557 12.118 -2.608 1.00 0.35 C ATOM 1488 OG1 THR A 93 5.958 12.392 -2.707 1.00 1.29 O ATOM 1489 CG2 THR A 93 3.983 12.899 -1.434 1.00 0.92 C ATOM 0 H THR A 93 6.056 10.062 -1.443 1.00 0.23 H new ATOM 0 HA THR A 93 3.254 10.454 -2.296 1.00 0.27 H new ATOM 0 HB THR A 93 4.048 12.432 -3.519 1.00 0.35 H new ATOM 0 HG1 THR A 93 6.096 13.356 -2.813 1.00 1.29 H new ATOM 0 HG21 THR A 93 4.163 13.964 -1.582 1.00 0.92 H new ATOM 0 HG22 THR A 93 2.910 12.718 -1.367 1.00 0.92 H new ATOM 0 HG23 THR A 93 4.464 12.575 -0.511 1.00 0.92 H new ATOM 1497 N LEU A 94 4.269 10.147 -4.841 1.00 0.34 N ATOM 1498 CA LEU A 94 4.731 9.501 -6.059 1.00 0.37 C ATOM 1499 C LEU A 94 5.781 10.359 -6.720 1.00 0.34 C ATOM 1500 O LEU A 94 5.677 11.588 -6.738 1.00 0.39 O ATOM 1501 CB LEU A 94 3.579 9.297 -7.046 1.00 0.54 C ATOM 1502 CG LEU A 94 2.661 8.113 -6.774 1.00 0.50 C ATOM 1503 CD1 LEU A 94 3.446 6.820 -6.869 1.00 0.88 C ATOM 1504 CD2 LEU A 94 2.023 8.237 -5.409 1.00 0.75 C ATOM 0 H LEU A 94 3.514 10.820 -4.971 1.00 0.34 H new ATOM 0 HA LEU A 94 5.144 8.529 -5.788 1.00 0.37 H new ATOM 0 HB2 LEU A 94 2.974 10.204 -7.058 1.00 0.54 H new ATOM 0 HB3 LEU A 94 4.000 9.181 -8.045 1.00 0.54 H new ATOM 0 HG LEU A 94 1.869 8.106 -7.523 1.00 0.50 H new ATOM 0 HD11 LEU A 94 2.783 5.977 -6.673 1.00 0.88 H new ATOM 0 HD12 LEU A 94 3.870 6.724 -7.869 1.00 0.88 H new ATOM 0 HD13 LEU A 94 4.250 6.828 -6.133 1.00 0.88 H new ATOM 0 HD21 LEU A 94 1.371 7.382 -5.233 1.00 0.75 H new ATOM 0 HD22 LEU A 94 2.800 8.264 -4.645 1.00 0.75 H new ATOM 0 HD23 LEU A 94 1.438 9.155 -5.363 1.00 0.75 H new ATOM 1516 N GLY A 95 6.794 9.685 -7.258 1.00 0.32 N ATOM 1517 CA GLY A 95 7.918 10.348 -7.893 1.00 0.34 C ATOM 1518 C GLY A 95 7.484 11.303 -8.982 1.00 0.46 C ATOM 1519 O GLY A 95 8.247 12.166 -9.399 1.00 0.88 O ATOM 0 H GLY A 95 6.854 8.667 -7.264 1.00 0.32 H new ATOM 0 HA2 GLY A 95 8.487 10.894 -7.140 1.00 0.34 H new ATOM 0 HA3 GLY A 95 8.587 9.598 -8.316 1.00 0.34 H new ATOM 1523 N ASN A 96 6.249 11.136 -9.438 1.00 0.57 N ATOM 1524 CA ASN A 96 5.666 12.022 -10.427 1.00 0.71 C ATOM 1525 C ASN A 96 4.192 12.294 -10.086 1.00 0.61 C ATOM 1526 O ASN A 96 3.380 12.557 -10.969 1.00 0.66 O ATOM 1527 CB ASN A 96 5.783 11.392 -11.819 1.00 0.98 C ATOM 1528 CG ASN A 96 5.616 12.398 -12.940 1.00 1.89 C ATOM 1529 OD1 ASN A 96 6.187 13.583 -12.774 1.00 2.72 O flip ATOM 1530 ND2 ASN A 96 5.021 12.096 -13.974 1.00 2.42 N flip ATOM 0 H ASN A 96 5.629 10.386 -9.132 1.00 0.57 H new ATOM 0 HA ASN A 96 6.205 12.970 -10.422 1.00 0.71 H new ATOM 0 HB2 ASN A 96 6.756 10.910 -11.913 1.00 0.98 H new ATOM 0 HB3 ASN A 96 5.029 10.612 -11.923 1.00 0.98 H new ATOM 0 HD21 ASN A 96 4.594 11.174 -14.066 1.00 2.42 H new ATOM 0 HD22 ASN A 96 4.955 12.767 -14.739 1.00 2.42 H new ATOM 1537 N ILE A 97 3.857 12.248 -8.786 1.00 0.55 N ATOM 1538 CA ILE A 97 2.461 12.403 -8.337 1.00 0.57 C ATOM 1539 C ILE A 97 1.900 13.753 -8.758 1.00 0.74 C ATOM 1540 O ILE A 97 0.717 13.885 -9.065 1.00 0.88 O ATOM 1541 CB ILE A 97 2.303 12.278 -6.796 1.00 0.54 C ATOM 1542 CG1 ILE A 97 0.814 12.296 -6.409 1.00 0.68 C ATOM 1543 CG2 ILE A 97 3.062 13.393 -6.072 1.00 0.60 C ATOM 1544 CD1 ILE A 97 0.058 11.069 -6.867 1.00 1.20 C ATOM 0 H ILE A 97 4.528 12.106 -8.031 1.00 0.55 H new ATOM 0 HA ILE A 97 1.910 11.591 -8.812 1.00 0.57 H new ATOM 0 HB ILE A 97 2.733 11.326 -6.486 1.00 0.54 H new ATOM 0 HG12 ILE A 97 0.729 12.382 -5.326 1.00 0.68 H new ATOM 0 HG13 ILE A 97 0.346 13.182 -6.837 1.00 0.68 H new ATOM 0 HG21 ILE A 97 2.934 13.281 -4.995 1.00 0.60 H new ATOM 0 HG22 ILE A 97 4.122 13.332 -6.320 1.00 0.60 H new ATOM 0 HG23 ILE A 97 2.672 14.361 -6.385 1.00 0.60 H new ATOM 0 HD11 ILE A 97 -0.985 11.149 -6.560 1.00 1.20 H new ATOM 0 HD12 ILE A 97 0.112 10.993 -7.953 1.00 1.20 H new ATOM 0 HD13 ILE A 97 0.501 10.180 -6.418 1.00 1.20 H new ATOM 1556 N HIS A 98 2.771 14.739 -8.803 1.00 0.85 N ATOM 1557 CA HIS A 98 2.364 16.112 -9.028 1.00 1.12 C ATOM 1558 C HIS A 98 2.066 16.370 -10.503 1.00 1.14 C ATOM 1559 O HIS A 98 1.805 17.503 -10.902 1.00 1.38 O ATOM 1560 CB HIS A 98 3.452 17.049 -8.498 1.00 1.38 C ATOM 1561 CG HIS A 98 4.753 16.993 -9.255 1.00 2.01 C ATOM 1562 ND1 HIS A 98 5.870 16.332 -8.788 1.00 2.88 N ATOM 1563 CD2 HIS A 98 5.109 17.525 -10.449 1.00 2.69 C ATOM 1564 CE1 HIS A 98 6.853 16.464 -9.660 1.00 3.63 C ATOM 1565 NE2 HIS A 98 6.417 17.182 -10.675 1.00 3.56 N ATOM 0 H HIS A 98 3.776 14.614 -8.685 1.00 0.85 H new ATOM 0 HA HIS A 98 1.437 16.305 -8.487 1.00 1.12 H new ATOM 0 HB2 HIS A 98 3.076 18.072 -8.524 1.00 1.38 H new ATOM 0 HB3 HIS A 98 3.644 16.806 -7.453 1.00 1.38 H new ATOM 0 HD2 HIS A 98 4.479 18.111 -11.102 1.00 2.69 H new ATOM 0 HE1 HIS A 98 7.846 16.053 -9.558 1.00 3.63 H new ATOM 0 HE2 HIS A 98 6.964 17.441 -11.496 1.00 3.56 H new ATOM 1574 N SER A 99 2.123 15.319 -11.307 1.00 0.99 N ATOM 1575 CA SER A 99 1.777 15.415 -12.713 1.00 1.16 C ATOM 1576 C SER A 99 0.468 14.674 -12.996 1.00 1.22 C ATOM 1577 O SER A 99 -0.028 14.672 -14.123 1.00 1.30 O ATOM 1578 CB SER A 99 2.916 14.865 -13.572 1.00 1.24 C ATOM 1579 OG SER A 99 4.132 15.540 -13.281 1.00 1.79 O ATOM 0 H SER A 99 2.407 14.387 -11.006 1.00 0.99 H new ATOM 0 HA SER A 99 1.629 16.464 -12.969 1.00 1.16 H new ATOM 0 HB2 SER A 99 3.034 13.797 -13.389 1.00 1.24 H new ATOM 0 HB3 SER A 99 2.672 14.983 -14.628 1.00 1.24 H new ATOM 0 HG SER A 99 4.837 14.883 -13.105 1.00 1.79 H new ATOM 1585 N TYR A 100 -0.090 14.047 -11.963 1.00 1.23 N ATOM 1586 CA TYR A 100 -1.396 13.413 -12.074 1.00 1.30 C ATOM 1587 C TYR A 100 -2.481 14.469 -11.853 1.00 1.17 C ATOM 1588 O TYR A 100 -2.506 15.151 -10.828 1.00 1.30 O ATOM 1589 CB TYR A 100 -1.548 12.272 -11.064 1.00 1.63 C ATOM 1590 CG TYR A 100 -0.605 11.101 -11.269 1.00 2.74 C ATOM 1591 CD1 TYR A 100 -0.933 10.057 -12.127 1.00 3.75 C ATOM 1592 CD2 TYR A 100 0.599 11.026 -10.584 1.00 2.85 C ATOM 1593 CE1 TYR A 100 -0.083 8.977 -12.297 1.00 4.83 C ATOM 1594 CE2 TYR A 100 1.450 9.948 -10.743 1.00 3.91 C ATOM 1595 CZ TYR A 100 1.106 8.926 -11.600 1.00 4.89 C ATOM 1596 OH TYR A 100 1.949 7.844 -11.749 1.00 5.98 O ATOM 0 H TYR A 100 0.343 13.966 -11.043 1.00 1.23 H new ATOM 0 HA TYR A 100 -1.496 12.982 -13.070 1.00 1.30 H new ATOM 0 HB2 TYR A 100 -1.394 12.672 -10.062 1.00 1.63 H new ATOM 0 HB3 TYR A 100 -2.573 11.904 -11.106 1.00 1.63 H new ATOM 0 HD1 TYR A 100 -1.866 10.089 -12.670 1.00 3.75 H new ATOM 0 HD2 TYR A 100 0.877 11.825 -9.913 1.00 2.85 H new ATOM 0 HE1 TYR A 100 -0.350 8.178 -12.973 1.00 4.83 H new ATOM 0 HE2 TYR A 100 2.381 9.907 -10.197 1.00 3.91 H new ATOM 0 HH TYR A 100 2.743 7.968 -11.188 1.00 5.98 H new ATOM 1606 N PRO A 101 -3.398 14.595 -12.828 1.00 1.09 N ATOM 1607 CA PRO A 101 -4.302 15.749 -12.942 1.00 1.04 C ATOM 1608 C PRO A 101 -5.366 15.855 -11.849 1.00 0.89 C ATOM 1609 O PRO A 101 -5.529 16.914 -11.251 1.00 0.94 O ATOM 1610 CB PRO A 101 -4.968 15.540 -14.304 1.00 1.19 C ATOM 1611 CG PRO A 101 -4.892 14.075 -14.551 1.00 1.28 C ATOM 1612 CD PRO A 101 -3.619 13.610 -13.901 1.00 1.21 C ATOM 0 HA PRO A 101 -3.740 16.677 -12.836 1.00 1.04 H new ATOM 0 HB2 PRO A 101 -6.002 15.885 -14.295 1.00 1.19 H new ATOM 0 HB3 PRO A 101 -4.452 16.099 -15.085 1.00 1.19 H new ATOM 0 HG2 PRO A 101 -5.756 13.563 -14.127 1.00 1.28 H new ATOM 0 HG3 PRO A 101 -4.886 13.859 -15.619 1.00 1.28 H new ATOM 0 HD2 PRO A 101 -3.717 12.600 -13.504 1.00 1.21 H new ATOM 0 HD3 PRO A 101 -2.790 13.595 -14.608 1.00 1.21 H new ATOM 1620 N GLN A 102 -6.093 14.774 -11.587 1.00 0.82 N ATOM 1621 CA GLN A 102 -7.239 14.851 -10.686 1.00 0.74 C ATOM 1622 C GLN A 102 -6.848 14.487 -9.260 1.00 0.63 C ATOM 1623 O GLN A 102 -7.674 14.534 -8.350 1.00 0.59 O ATOM 1624 CB GLN A 102 -8.364 13.931 -11.164 1.00 0.83 C ATOM 1625 CG GLN A 102 -8.240 12.499 -10.669 1.00 0.98 C ATOM 1626 CD GLN A 102 -9.265 11.581 -11.303 1.00 1.30 C ATOM 1627 OE1 GLN A 102 -10.379 11.428 -10.802 1.00 1.95 O ATOM 1628 NE2 GLN A 102 -8.891 10.963 -12.408 1.00 1.73 N ATOM 0 H GLN A 102 -5.914 13.849 -11.978 1.00 0.82 H new ATOM 0 HA GLN A 102 -7.593 15.882 -10.694 1.00 0.74 H new ATOM 0 HB2 GLN A 102 -9.319 14.338 -10.832 1.00 0.83 H new ATOM 0 HB3 GLN A 102 -8.380 13.928 -12.254 1.00 0.83 H new ATOM 0 HG2 GLN A 102 -7.239 12.127 -10.886 1.00 0.98 H new ATOM 0 HG3 GLN A 102 -8.359 12.480 -9.586 1.00 0.98 H new ATOM 0 HE21 GLN A 102 -7.958 11.119 -12.789 1.00 1.73 H new ATOM 0 HE22 GLN A 102 -9.535 10.329 -12.881 1.00 1.73 H new ATOM 1637 N ILE A 103 -5.597 14.105 -9.071 1.00 0.60 N ATOM 1638 CA ILE A 103 -5.119 13.733 -7.757 1.00 0.51 C ATOM 1639 C ILE A 103 -5.021 14.966 -6.871 1.00 0.52 C ATOM 1640 O ILE A 103 -4.183 15.846 -7.077 1.00 0.65 O ATOM 1641 CB ILE A 103 -3.756 12.987 -7.826 1.00 0.54 C ATOM 1642 CG1 ILE A 103 -3.965 11.555 -8.332 1.00 0.63 C ATOM 1643 CG2 ILE A 103 -3.061 12.968 -6.462 1.00 0.43 C ATOM 1644 CD1 ILE A 103 -4.403 11.455 -9.781 1.00 1.10 C ATOM 0 H ILE A 103 -4.897 14.045 -9.811 1.00 0.60 H new ATOM 0 HA ILE A 103 -5.838 13.040 -7.321 1.00 0.51 H new ATOM 0 HB ILE A 103 -3.113 13.524 -8.523 1.00 0.54 H new ATOM 0 HG12 ILE A 103 -3.035 11.000 -8.208 1.00 0.63 H new ATOM 0 HG13 ILE A 103 -4.712 11.068 -7.706 1.00 0.63 H new ATOM 0 HG21 ILE A 103 -2.111 12.439 -6.545 1.00 0.43 H new ATOM 0 HG22 ILE A 103 -2.879 13.991 -6.132 1.00 0.43 H new ATOM 0 HG23 ILE A 103 -3.697 12.460 -5.737 1.00 0.43 H new ATOM 0 HD11 ILE A 103 -4.526 10.407 -10.052 1.00 1.10 H new ATOM 0 HD12 ILE A 103 -5.351 11.977 -9.912 1.00 1.10 H new ATOM 0 HD13 ILE A 103 -3.647 11.909 -10.422 1.00 1.10 H new ATOM 1656 N GLN A 104 -5.926 15.021 -5.911 1.00 0.45 N ATOM 1657 CA GLN A 104 -6.016 16.116 -4.964 1.00 0.48 C ATOM 1658 C GLN A 104 -4.798 16.084 -4.056 1.00 0.50 C ATOM 1659 O GLN A 104 -4.151 17.102 -3.811 1.00 0.63 O ATOM 1660 CB GLN A 104 -7.303 15.954 -4.149 1.00 0.46 C ATOM 1661 CG GLN A 104 -8.450 15.398 -4.980 1.00 0.43 C ATOM 1662 CD GLN A 104 -9.116 16.443 -5.858 1.00 0.52 C ATOM 1663 OE1 GLN A 104 -9.626 16.127 -6.929 1.00 1.40 O ATOM 1664 NE2 GLN A 104 -9.132 17.686 -5.408 1.00 0.98 N ATOM 0 H GLN A 104 -6.629 14.296 -5.766 1.00 0.45 H new ATOM 0 HA GLN A 104 -6.042 17.075 -5.482 1.00 0.48 H new ATOM 0 HB2 GLN A 104 -7.114 15.290 -3.305 1.00 0.46 H new ATOM 0 HB3 GLN A 104 -7.592 16.920 -3.736 1.00 0.46 H new ATOM 0 HG2 GLN A 104 -8.076 14.590 -5.609 1.00 0.43 H new ATOM 0 HG3 GLN A 104 -9.196 14.964 -4.314 1.00 0.43 H new ATOM 0 HE21 GLN A 104 -8.697 17.910 -4.513 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -9.579 18.421 -5.956 1.00 0.98 H new ATOM 1673 N SER A 105 -4.493 14.890 -3.578 1.00 0.40 N ATOM 1674 CA SER A 105 -3.311 14.634 -2.776 1.00 0.41 C ATOM 1675 C SER A 105 -3.019 13.139 -2.795 1.00 0.36 C ATOM 1676 O SER A 105 -3.925 12.333 -3.024 1.00 0.39 O ATOM 1677 CB SER A 105 -3.514 15.104 -1.327 1.00 0.48 C ATOM 1678 OG SER A 105 -3.667 16.515 -1.252 1.00 1.13 O ATOM 0 H SER A 105 -5.066 14.062 -3.738 1.00 0.40 H new ATOM 0 HA SER A 105 -2.472 15.189 -3.196 1.00 0.41 H new ATOM 0 HB2 SER A 105 -4.395 14.619 -0.906 1.00 0.48 H new ATOM 0 HB3 SER A 105 -2.661 14.797 -0.721 1.00 0.48 H new ATOM 0 HG SER A 105 -3.613 16.898 -2.152 1.00 1.13 H new ATOM 1684 N TYR A 106 -1.764 12.773 -2.600 1.00 0.35 N ATOM 1685 CA TYR A 106 -1.418 11.380 -2.411 1.00 0.34 C ATOM 1686 C TYR A 106 -0.366 11.267 -1.324 1.00 0.36 C ATOM 1687 O TYR A 106 0.784 11.672 -1.512 1.00 0.40 O ATOM 1688 CB TYR A 106 -0.916 10.719 -3.705 1.00 0.37 C ATOM 1689 CG TYR A 106 -0.905 9.213 -3.605 1.00 0.38 C ATOM 1690 CD1 TYR A 106 0.166 8.552 -3.033 1.00 0.41 C ATOM 1691 CD2 TYR A 106 -1.979 8.458 -4.046 1.00 0.39 C ATOM 1692 CE1 TYR A 106 0.172 7.176 -2.906 1.00 0.45 C ATOM 1693 CE2 TYR A 106 -1.979 7.081 -3.929 1.00 0.43 C ATOM 1694 CZ TYR A 106 -0.902 6.445 -3.359 1.00 0.46 C ATOM 1695 OH TYR A 106 -0.902 5.075 -3.232 1.00 0.52 O ATOM 0 H TYR A 106 -0.974 13.418 -2.569 1.00 0.35 H new ATOM 0 HA TYR A 106 -2.323 10.850 -2.115 1.00 0.34 H new ATOM 0 HB2 TYR A 106 -1.552 11.022 -4.537 1.00 0.37 H new ATOM 0 HB3 TYR A 106 0.090 11.075 -3.927 1.00 0.37 H new ATOM 0 HD1 TYR A 106 1.013 9.121 -2.679 1.00 0.41 H new ATOM 0 HD2 TYR A 106 -2.830 8.953 -4.489 1.00 0.39 H new ATOM 0 HE1 TYR A 106 1.016 6.677 -2.453 1.00 0.45 H new ATOM 0 HE2 TYR A 106 -2.822 6.507 -4.284 1.00 0.43 H new ATOM 0 HH TYR A 106 -1.734 4.712 -3.601 1.00 0.52 H new ATOM 1705 N ASP A 107 -0.769 10.726 -0.190 1.00 0.34 N ATOM 1706 CA ASP A 107 0.124 10.564 0.941 1.00 0.36 C ATOM 1707 C ASP A 107 -0.036 9.191 1.560 1.00 0.38 C ATOM 1708 O ASP A 107 -1.145 8.721 1.806 1.00 0.46 O ATOM 1709 CB ASP A 107 -0.100 11.651 2.001 1.00 0.48 C ATOM 1710 CG ASP A 107 -1.568 11.923 2.291 1.00 1.27 C ATOM 1711 OD1 ASP A 107 -2.134 11.248 3.175 1.00 2.25 O ATOM 1712 OD2 ASP A 107 -2.169 12.788 1.621 1.00 1.31 O ATOM 0 H ASP A 107 -1.718 10.389 -0.027 1.00 0.34 H new ATOM 0 HA ASP A 107 1.142 10.666 0.566 1.00 0.36 H new ATOM 0 HB2 ASP A 107 0.396 11.354 2.925 1.00 0.48 H new ATOM 0 HB3 ASP A 107 0.374 12.575 1.668 1.00 0.48 H new ATOM 1717 N VAL A 108 1.090 8.535 1.763 1.00 0.38 N ATOM 1718 CA VAL A 108 1.122 7.237 2.411 1.00 0.44 C ATOM 1719 C VAL A 108 2.319 7.138 3.341 1.00 0.47 C ATOM 1720 O VAL A 108 3.433 7.438 2.943 1.00 0.58 O ATOM 1721 CB VAL A 108 1.175 6.085 1.371 1.00 0.48 C ATOM 1722 CG1 VAL A 108 1.715 6.582 0.046 1.00 0.68 C ATOM 1723 CG2 VAL A 108 2.022 4.922 1.867 1.00 0.70 C ATOM 0 H VAL A 108 2.007 8.885 1.484 1.00 0.38 H new ATOM 0 HA VAL A 108 0.204 7.137 2.990 1.00 0.44 H new ATOM 0 HB VAL A 108 0.154 5.730 1.231 1.00 0.48 H new ATOM 0 HG11 VAL A 108 1.743 5.758 -0.667 1.00 0.68 H new ATOM 0 HG12 VAL A 108 1.069 7.372 -0.337 1.00 0.68 H new ATOM 0 HG13 VAL A 108 2.722 6.974 0.188 1.00 0.68 H new ATOM 0 HG21 VAL A 108 2.036 4.135 1.113 1.00 0.70 H new ATOM 0 HG22 VAL A 108 3.040 5.266 2.052 1.00 0.70 H new ATOM 0 HG23 VAL A 108 1.598 4.531 2.792 1.00 0.70 H new ATOM 1733 N GLN A 109 2.101 6.729 4.572 1.00 0.44 N ATOM 1734 CA GLN A 109 3.217 6.477 5.458 1.00 0.50 C ATOM 1735 C GLN A 109 2.969 5.225 6.271 1.00 0.30 C ATOM 1736 O GLN A 109 1.826 4.873 6.571 1.00 0.29 O ATOM 1737 CB GLN A 109 3.533 7.677 6.359 1.00 0.85 C ATOM 1738 CG GLN A 109 2.460 8.053 7.361 1.00 0.92 C ATOM 1739 CD GLN A 109 2.993 8.992 8.426 1.00 2.08 C ATOM 1740 OE1 GLN A 109 2.527 8.994 9.559 1.00 2.86 O ATOM 1741 NE2 GLN A 109 3.974 9.808 8.065 1.00 2.81 N ATOM 0 H GLN A 109 1.179 6.566 4.977 1.00 0.44 H new ATOM 0 HA GLN A 109 4.099 6.320 4.838 1.00 0.50 H new ATOM 0 HB2 GLN A 109 4.453 7.466 6.903 1.00 0.85 H new ATOM 0 HB3 GLN A 109 3.729 8.541 5.725 1.00 0.85 H new ATOM 0 HG2 GLN A 109 1.627 8.527 6.842 1.00 0.92 H new ATOM 0 HG3 GLN A 109 2.070 7.151 7.833 1.00 0.92 H new ATOM 0 HE21 GLN A 109 4.337 9.778 7.112 1.00 2.81 H new ATOM 0 HE22 GLN A 109 4.365 10.465 8.740 1.00 2.81 H new ATOM 1750 N VAL A 110 4.050 4.536 6.578 1.00 0.33 N ATOM 1751 CA VAL A 110 3.976 3.275 7.279 1.00 0.27 C ATOM 1752 C VAL A 110 3.859 3.511 8.786 1.00 0.30 C ATOM 1753 O VAL A 110 4.563 4.347 9.355 1.00 0.41 O ATOM 1754 CB VAL A 110 5.223 2.410 6.975 1.00 0.37 C ATOM 1755 CG1 VAL A 110 6.487 3.042 7.536 1.00 0.76 C ATOM 1756 CG2 VAL A 110 5.052 0.994 7.497 1.00 0.77 C ATOM 0 H VAL A 110 4.998 4.834 6.349 1.00 0.33 H new ATOM 0 HA VAL A 110 3.089 2.743 6.934 1.00 0.27 H new ATOM 0 HB VAL A 110 5.327 2.360 5.891 1.00 0.37 H new ATOM 0 HG11 VAL A 110 7.344 2.409 7.305 1.00 0.76 H new ATOM 0 HG12 VAL A 110 6.631 4.026 7.089 1.00 0.76 H new ATOM 0 HG13 VAL A 110 6.393 3.145 8.617 1.00 0.76 H new ATOM 0 HG21 VAL A 110 5.944 0.412 7.268 1.00 0.77 H new ATOM 0 HG22 VAL A 110 4.903 1.020 8.576 1.00 0.77 H new ATOM 0 HG23 VAL A 110 4.186 0.533 7.022 1.00 0.77 H new ATOM 1766 N ALA A 111 2.955 2.774 9.416 1.00 0.29 N ATOM 1767 CA ALA A 111 2.746 2.866 10.852 1.00 0.36 C ATOM 1768 C ALA A 111 3.920 2.246 11.595 1.00 0.37 C ATOM 1769 O ALA A 111 4.317 2.717 12.659 1.00 0.44 O ATOM 1770 CB ALA A 111 1.445 2.178 11.242 1.00 0.42 C ATOM 0 H ALA A 111 2.349 2.099 8.948 1.00 0.29 H new ATOM 0 HA ALA A 111 2.677 3.918 11.129 1.00 0.36 H new ATOM 0 HB1 ALA A 111 1.302 2.255 12.320 1.00 0.42 H new ATOM 0 HB2 ALA A 111 0.611 2.659 10.730 1.00 0.42 H new ATOM 0 HB3 ALA A 111 1.489 1.127 10.956 1.00 0.42 H new ATOM 1776 N ASP A 112 4.460 1.177 11.023 1.00 0.35 N ATOM 1777 CA ASP A 112 5.657 0.527 11.552 1.00 0.46 C ATOM 1778 C ASP A 112 6.271 -0.334 10.470 1.00 0.37 C ATOM 1779 O ASP A 112 5.579 -1.144 9.852 1.00 0.35 O ATOM 1780 CB ASP A 112 5.336 -0.339 12.768 1.00 0.67 C ATOM 1781 CG ASP A 112 6.582 -0.917 13.414 1.00 1.36 C ATOM 1782 OD1 ASP A 112 7.490 -0.141 13.769 1.00 2.20 O ATOM 1783 OD2 ASP A 112 6.654 -2.148 13.593 1.00 1.88 O ATOM 0 H ASP A 112 4.084 0.736 10.183 1.00 0.35 H new ATOM 0 HA ASP A 112 6.356 1.302 11.867 1.00 0.46 H new ATOM 0 HB2 ASP A 112 4.793 0.257 13.502 1.00 0.67 H new ATOM 0 HB3 ASP A 112 4.676 -1.152 12.467 1.00 0.67 H new ATOM 1788 N THR A 113 7.550 -0.142 10.223 1.00 0.37 N ATOM 1789 CA THR A 113 8.225 -0.868 9.162 1.00 0.36 C ATOM 1790 C THR A 113 9.580 -1.396 9.624 1.00 0.44 C ATOM 1791 O THR A 113 10.334 -0.707 10.319 1.00 0.55 O ATOM 1792 CB THR A 113 8.408 0.001 7.889 1.00 0.37 C ATOM 1793 OG1 THR A 113 8.800 -0.831 6.790 1.00 0.44 O ATOM 1794 CG2 THR A 113 9.464 1.094 8.087 1.00 0.51 C ATOM 0 H THR A 113 8.143 0.508 10.739 1.00 0.37 H new ATOM 0 HA THR A 113 7.584 -1.713 8.909 1.00 0.36 H new ATOM 0 HB THR A 113 7.453 0.484 7.683 1.00 0.37 H new ATOM 0 HG1 THR A 113 8.869 -0.288 5.977 1.00 0.44 H new ATOM 0 HG21 THR A 113 9.559 1.678 7.172 1.00 0.51 H new ATOM 0 HG22 THR A 113 9.162 1.748 8.905 1.00 0.51 H new ATOM 0 HG23 THR A 113 10.423 0.634 8.326 1.00 0.51 H new ATOM 1802 N ASP A 114 9.861 -2.634 9.253 1.00 0.43 N ATOM 1803 CA ASP A 114 11.175 -3.226 9.441 1.00 0.57 C ATOM 1804 C ASP A 114 11.502 -4.078 8.223 1.00 0.64 C ATOM 1805 O ASP A 114 10.599 -4.451 7.473 1.00 0.61 O ATOM 1806 CB ASP A 114 11.231 -4.061 10.725 1.00 0.60 C ATOM 1807 CG ASP A 114 12.592 -4.697 10.947 1.00 1.24 C ATOM 1808 OD1 ASP A 114 13.542 -3.969 11.310 1.00 1.17 O ATOM 1809 OD2 ASP A 114 12.712 -5.928 10.778 1.00 2.10 O ATOM 0 H ASP A 114 9.184 -3.257 8.813 1.00 0.43 H new ATOM 0 HA ASP A 114 11.916 -2.434 9.545 1.00 0.57 H new ATOM 0 HB2 ASP A 114 10.986 -3.427 11.577 1.00 0.60 H new ATOM 0 HB3 ASP A 114 10.472 -4.842 10.680 1.00 0.60 H new ATOM 1814 N TYR A 115 12.777 -4.363 8.016 1.00 0.84 N ATOM 1815 CA TYR A 115 13.214 -5.094 6.833 1.00 0.99 C ATOM 1816 C TYR A 115 12.848 -6.571 6.920 1.00 0.90 C ATOM 1817 O TYR A 115 12.463 -7.175 5.924 1.00 1.07 O ATOM 1818 CB TYR A 115 14.720 -4.924 6.621 1.00 1.25 C ATOM 1819 CG TYR A 115 15.414 -4.220 7.760 1.00 1.46 C ATOM 1820 CD1 TYR A 115 15.445 -2.835 7.830 1.00 1.77 C ATOM 1821 CD2 TYR A 115 16.052 -4.944 8.758 1.00 1.67 C ATOM 1822 CE1 TYR A 115 16.092 -2.193 8.864 1.00 2.16 C ATOM 1823 CE2 TYR A 115 16.698 -4.308 9.793 1.00 2.05 C ATOM 1824 CZ TYR A 115 16.662 -2.918 9.867 1.00 2.26 C ATOM 1825 OH TYR A 115 17.366 -2.300 10.874 1.00 2.75 O ATOM 0 H TYR A 115 13.530 -4.100 8.651 1.00 0.84 H new ATOM 0 HA TYR A 115 12.691 -4.674 5.974 1.00 0.99 H new ATOM 0 HB2 TYR A 115 15.172 -5.906 6.482 1.00 1.25 H new ATOM 0 HB3 TYR A 115 14.888 -4.363 5.702 1.00 1.25 H new ATOM 0 HD1 TYR A 115 14.956 -2.252 7.064 1.00 1.77 H new ATOM 0 HD2 TYR A 115 16.041 -6.023 8.721 1.00 1.67 H new ATOM 0 HE1 TYR A 115 16.147 -1.115 8.879 1.00 2.16 H new ATOM 0 HE2 TYR A 115 17.227 -4.881 10.540 1.00 2.05 H new ATOM 0 HH TYR A 115 17.700 -2.975 11.502 1.00 2.75 H new ATOM 1835 N ASP A 116 12.969 -7.146 8.112 1.00 0.77 N ATOM 1836 CA ASP A 116 12.641 -8.559 8.315 1.00 0.74 C ATOM 1837 C ASP A 116 11.241 -8.695 8.888 1.00 0.64 C ATOM 1838 O ASP A 116 10.482 -9.593 8.519 1.00 0.66 O ATOM 1839 CB ASP A 116 13.648 -9.224 9.253 1.00 0.82 C ATOM 1840 CG ASP A 116 13.295 -10.670 9.550 1.00 1.03 C ATOM 1841 OD1 ASP A 116 13.495 -11.536 8.668 1.00 1.46 O ATOM 1842 OD2 ASP A 116 12.822 -10.952 10.669 1.00 1.40 O ATOM 0 H ASP A 116 13.290 -6.661 8.950 1.00 0.77 H new ATOM 0 HA ASP A 116 12.685 -9.059 7.347 1.00 0.74 H new ATOM 0 HB2 ASP A 116 14.641 -9.180 8.806 1.00 0.82 H new ATOM 0 HB3 ASP A 116 13.694 -8.665 10.188 1.00 0.82 H new ATOM 1847 N GLN A 117 10.920 -7.791 9.796 1.00 0.59 N ATOM 1848 CA GLN A 117 9.599 -7.709 10.395 1.00 0.50 C ATOM 1849 C GLN A 117 8.582 -7.254 9.349 1.00 0.37 C ATOM 1850 O GLN A 117 8.931 -6.956 8.205 1.00 0.39 O ATOM 1851 CB GLN A 117 9.599 -6.757 11.596 1.00 0.56 C ATOM 1852 CG GLN A 117 8.396 -6.926 12.514 1.00 1.22 C ATOM 1853 CD GLN A 117 8.291 -5.832 13.556 1.00 1.68 C ATOM 1854 OE1 GLN A 117 8.828 -5.952 14.660 1.00 2.16 O ATOM 1855 NE2 GLN A 117 7.597 -4.759 13.209 1.00 2.51 N ATOM 0 H GLN A 117 11.573 -7.088 10.141 1.00 0.59 H new ATOM 0 HA GLN A 117 9.319 -8.699 10.754 1.00 0.50 H new ATOM 0 HB2 GLN A 117 10.510 -6.915 12.173 1.00 0.56 H new ATOM 0 HB3 GLN A 117 9.626 -5.729 11.233 1.00 0.56 H new ATOM 0 HG2 GLN A 117 7.486 -6.938 11.914 1.00 1.22 H new ATOM 0 HG3 GLN A 117 8.460 -7.892 13.014 1.00 1.22 H new ATOM 0 HE21 GLN A 117 7.171 -4.705 12.284 1.00 2.51 H new ATOM 0 HE22 GLN A 117 7.489 -3.987 13.867 1.00 2.51 H new ATOM 1864 N PHE A 118 7.331 -7.192 9.750 1.00 0.30 N ATOM 1865 CA PHE A 118 6.243 -6.918 8.839 1.00 0.25 C ATOM 1866 C PHE A 118 5.880 -5.434 8.946 1.00 0.26 C ATOM 1867 O PHE A 118 6.133 -4.804 9.976 1.00 0.40 O ATOM 1868 CB PHE A 118 5.048 -7.788 9.249 1.00 0.31 C ATOM 1869 CG PHE A 118 4.167 -7.135 10.273 1.00 0.30 C ATOM 1870 CD1 PHE A 118 4.569 -7.024 11.596 1.00 0.36 C ATOM 1871 CD2 PHE A 118 2.948 -6.609 9.899 1.00 0.32 C ATOM 1872 CE1 PHE A 118 3.761 -6.400 12.527 1.00 0.41 C ATOM 1873 CE2 PHE A 118 2.137 -5.980 10.824 1.00 0.38 C ATOM 1874 CZ PHE A 118 2.544 -5.877 12.139 1.00 0.42 C ATOM 0 H PHE A 118 7.040 -7.330 10.718 1.00 0.30 H new ATOM 0 HA PHE A 118 6.523 -7.144 7.810 1.00 0.25 H new ATOM 0 HB2 PHE A 118 4.455 -8.021 8.364 1.00 0.31 H new ATOM 0 HB3 PHE A 118 5.415 -8.735 9.645 1.00 0.31 H new ATOM 0 HD1 PHE A 118 5.522 -7.429 11.901 1.00 0.36 H new ATOM 0 HD2 PHE A 118 2.624 -6.690 8.872 1.00 0.32 H new ATOM 0 HE1 PHE A 118 4.081 -6.322 13.556 1.00 0.41 H new ATOM 0 HE2 PHE A 118 1.186 -5.569 10.519 1.00 0.38 H new ATOM 0 HZ PHE A 118 1.911 -5.387 12.864 1.00 0.42 H new ATOM 1884 N ALA A 119 5.318 -4.871 7.887 1.00 0.23 N ATOM 1885 CA ALA A 119 5.053 -3.439 7.852 1.00 0.23 C ATOM 1886 C ALA A 119 3.584 -3.136 7.571 1.00 0.21 C ATOM 1887 O ALA A 119 2.947 -3.776 6.735 1.00 0.28 O ATOM 1888 CB ALA A 119 5.951 -2.757 6.827 1.00 0.25 C ATOM 0 H ALA A 119 5.038 -5.378 7.047 1.00 0.23 H new ATOM 0 HA ALA A 119 5.280 -3.039 8.840 1.00 0.23 H new ATOM 0 HB1 ALA A 119 5.741 -1.688 6.813 1.00 0.25 H new ATOM 0 HB2 ALA A 119 6.995 -2.918 7.094 1.00 0.25 H new ATOM 0 HB3 ALA A 119 5.760 -3.177 5.839 1.00 0.25 H new ATOM 1894 N MET A 120 3.062 -2.148 8.283 1.00 0.19 N ATOM 1895 CA MET A 120 1.672 -1.723 8.137 1.00 0.21 C ATOM 1896 C MET A 120 1.608 -0.324 7.536 1.00 0.22 C ATOM 1897 O MET A 120 1.973 0.644 8.195 1.00 0.25 O ATOM 1898 CB MET A 120 0.987 -1.725 9.502 1.00 0.27 C ATOM 1899 CG MET A 120 0.187 -2.988 9.796 1.00 0.48 C ATOM 1900 SD MET A 120 -0.587 -2.956 11.426 1.00 0.63 S ATOM 1901 CE MET A 120 0.842 -2.733 12.484 1.00 1.47 C ATOM 0 H MET A 120 3.587 -1.617 8.978 1.00 0.19 H new ATOM 0 HA MET A 120 1.160 -2.418 7.471 1.00 0.21 H new ATOM 0 HB2 MET A 120 1.744 -1.599 10.276 1.00 0.27 H new ATOM 0 HB3 MET A 120 0.321 -0.864 9.564 1.00 0.27 H new ATOM 0 HG2 MET A 120 -0.583 -3.111 9.035 1.00 0.48 H new ATOM 0 HG3 MET A 120 0.845 -3.854 9.727 1.00 0.48 H new ATOM 0 HE1 MET A 120 0.693 -3.278 13.416 1.00 1.47 H new ATOM 0 HE2 MET A 120 1.731 -3.112 11.980 1.00 1.47 H new ATOM 0 HE3 MET A 120 0.973 -1.673 12.701 1.00 1.47 H new ATOM 1911 N VAL A 121 1.147 -0.204 6.299 1.00 0.25 N ATOM 1912 CA VAL A 121 1.199 1.083 5.610 1.00 0.26 C ATOM 1913 C VAL A 121 -0.190 1.638 5.308 1.00 0.29 C ATOM 1914 O VAL A 121 -1.055 0.920 4.816 1.00 0.39 O ATOM 1915 CB VAL A 121 1.949 0.992 4.271 1.00 0.28 C ATOM 1916 CG1 VAL A 121 2.631 2.312 3.981 1.00 0.34 C ATOM 1917 CG2 VAL A 121 2.953 -0.146 4.254 1.00 0.28 C ATOM 0 H VAL A 121 0.739 -0.966 5.757 1.00 0.25 H new ATOM 0 HA VAL A 121 1.726 1.746 6.297 1.00 0.26 H new ATOM 0 HB VAL A 121 1.219 0.780 3.490 1.00 0.28 H new ATOM 0 HG11 VAL A 121 3.162 2.246 3.032 1.00 0.34 H new ATOM 0 HG12 VAL A 121 1.883 3.103 3.924 1.00 0.34 H new ATOM 0 HG13 VAL A 121 3.339 2.539 4.778 1.00 0.34 H new ATOM 0 HG21 VAL A 121 3.458 -0.171 3.289 1.00 0.28 H new ATOM 0 HG22 VAL A 121 3.688 0.005 5.044 1.00 0.28 H new ATOM 0 HG23 VAL A 121 2.435 -1.091 4.417 1.00 0.28 H new ATOM 1927 N PHE A 122 -0.383 2.921 5.580 1.00 0.25 N ATOM 1928 CA PHE A 122 -1.604 3.618 5.196 1.00 0.27 C ATOM 1929 C PHE A 122 -1.354 4.411 3.910 1.00 0.27 C ATOM 1930 O PHE A 122 -0.448 5.237 3.855 1.00 0.26 O ATOM 1931 CB PHE A 122 -2.073 4.535 6.348 1.00 0.29 C ATOM 1932 CG PHE A 122 -3.076 5.604 5.966 1.00 0.37 C ATOM 1933 CD1 PHE A 122 -2.671 6.740 5.274 1.00 0.87 C ATOM 1934 CD2 PHE A 122 -4.419 5.482 6.299 1.00 0.33 C ATOM 1935 CE1 PHE A 122 -3.574 7.720 4.923 1.00 0.99 C ATOM 1936 CE2 PHE A 122 -5.326 6.464 5.947 1.00 0.38 C ATOM 1937 CZ PHE A 122 -4.903 7.581 5.258 1.00 0.63 C ATOM 0 H PHE A 122 0.296 3.505 6.069 1.00 0.25 H new ATOM 0 HA PHE A 122 -2.398 2.897 5.003 1.00 0.27 H new ATOM 0 HB2 PHE A 122 -2.511 3.913 7.128 1.00 0.29 H new ATOM 0 HB3 PHE A 122 -1.198 5.021 6.781 1.00 0.29 H new ATOM 0 HD1 PHE A 122 -1.631 6.856 5.007 1.00 0.87 H new ATOM 0 HD2 PHE A 122 -4.758 4.610 6.839 1.00 0.33 H new ATOM 0 HE1 PHE A 122 -3.240 8.596 4.386 1.00 0.99 H new ATOM 0 HE2 PHE A 122 -6.367 6.356 6.212 1.00 0.38 H new ATOM 0 HZ PHE A 122 -5.613 8.346 4.981 1.00 0.63 H new ATOM 1947 N PHE A 123 -2.147 4.129 2.883 1.00 0.34 N ATOM 1948 CA PHE A 123 -2.062 4.826 1.595 1.00 0.34 C ATOM 1949 C PHE A 123 -3.336 5.621 1.362 1.00 0.35 C ATOM 1950 O PHE A 123 -4.436 5.090 1.530 1.00 0.38 O ATOM 1951 CB PHE A 123 -1.924 3.829 0.438 1.00 0.37 C ATOM 1952 CG PHE A 123 -0.591 3.149 0.302 1.00 0.37 C ATOM 1953 CD1 PHE A 123 -0.099 2.330 1.302 1.00 0.32 C ATOM 1954 CD2 PHE A 123 0.147 3.290 -0.863 1.00 0.45 C ATOM 1955 CE1 PHE A 123 1.105 1.671 1.146 1.00 0.33 C ATOM 1956 CE2 PHE A 123 1.355 2.641 -1.020 1.00 0.47 C ATOM 1957 CZ PHE A 123 1.834 1.828 -0.014 1.00 0.41 C ATOM 0 H PHE A 123 -2.870 3.410 2.915 1.00 0.34 H new ATOM 0 HA PHE A 123 -1.189 5.478 1.627 1.00 0.34 H new ATOM 0 HB2 PHE A 123 -2.689 3.062 0.554 1.00 0.37 H new ATOM 0 HB3 PHE A 123 -2.137 4.354 -0.493 1.00 0.37 H new ATOM 0 HD1 PHE A 123 -0.662 2.204 2.215 1.00 0.32 H new ATOM 0 HD2 PHE A 123 -0.228 3.916 -1.659 1.00 0.45 H new ATOM 0 HE1 PHE A 123 1.476 1.032 1.934 1.00 0.33 H new ATOM 0 HE2 PHE A 123 1.924 2.770 -1.929 1.00 0.47 H new ATOM 0 HZ PHE A 123 2.777 1.316 -0.134 1.00 0.41 H new ATOM 1967 N GLN A 124 -3.200 6.872 0.967 1.00 0.36 N ATOM 1968 CA GLN A 124 -4.365 7.667 0.611 1.00 0.39 C ATOM 1969 C GLN A 124 -4.189 8.310 -0.759 1.00 0.34 C ATOM 1970 O GLN A 124 -3.136 8.874 -1.062 1.00 0.33 O ATOM 1971 CB GLN A 124 -4.627 8.762 1.641 1.00 0.45 C ATOM 1972 CG GLN A 124 -6.020 9.368 1.528 1.00 0.67 C ATOM 1973 CD GLN A 124 -6.094 10.788 2.047 1.00 0.82 C ATOM 1974 OE1 GLN A 124 -6.930 11.581 1.606 1.00 1.54 O ATOM 1975 NE2 GLN A 124 -5.209 11.130 2.964 1.00 1.57 N ATOM 0 H GLN A 124 -2.307 7.358 0.884 1.00 0.36 H new ATOM 0 HA GLN A 124 -5.217 6.988 0.588 1.00 0.39 H new ATOM 0 HB2 GLN A 124 -4.497 8.350 2.642 1.00 0.45 H new ATOM 0 HB3 GLN A 124 -3.884 9.550 1.522 1.00 0.45 H new ATOM 0 HG2 GLN A 124 -6.333 9.352 0.484 1.00 0.67 H new ATOM 0 HG3 GLN A 124 -6.725 8.748 2.081 1.00 0.67 H new ATOM 0 HE21 GLN A 124 -4.534 10.444 3.302 1.00 1.57 H new ATOM 0 HE22 GLN A 124 -5.200 12.080 3.334 1.00 1.57 H new ATOM 1984 N LYS A 125 -5.222 8.208 -1.583 1.00 0.37 N ATOM 1985 CA LYS A 125 -5.268 8.914 -2.850 1.00 0.38 C ATOM 1986 C LYS A 125 -6.549 9.723 -2.944 1.00 0.35 C ATOM 1987 O LYS A 125 -7.649 9.186 -2.842 1.00 0.41 O ATOM 1988 CB LYS A 125 -5.177 7.960 -4.053 1.00 0.53 C ATOM 1989 CG LYS A 125 -6.244 6.876 -4.093 1.00 0.98 C ATOM 1990 CD LYS A 125 -6.546 6.435 -5.520 1.00 1.06 C ATOM 1991 CE LYS A 125 -7.188 7.560 -6.324 1.00 1.36 C ATOM 1992 NZ LYS A 125 -7.567 7.127 -7.695 1.00 1.55 N ATOM 0 H LYS A 125 -6.045 7.637 -1.392 1.00 0.37 H new ATOM 0 HA LYS A 125 -4.401 9.574 -2.883 1.00 0.38 H new ATOM 0 HB2 LYS A 125 -5.241 8.547 -4.969 1.00 0.53 H new ATOM 0 HB3 LYS A 125 -4.196 7.484 -4.048 1.00 0.53 H new ATOM 0 HG2 LYS A 125 -5.912 6.017 -3.509 1.00 0.98 H new ATOM 0 HG3 LYS A 125 -7.157 7.246 -3.626 1.00 0.98 H new ATOM 0 HD2 LYS A 125 -5.624 6.117 -6.007 1.00 1.06 H new ATOM 0 HD3 LYS A 125 -7.211 5.572 -5.503 1.00 1.06 H new ATOM 0 HE2 LYS A 125 -8.074 7.918 -5.800 1.00 1.36 H new ATOM 0 HE3 LYS A 125 -6.495 8.399 -6.389 1.00 1.36 H new ATOM 0 HZ1 LYS A 125 -7.999 7.924 -8.204 1.00 1.55 H new ATOM 0 HZ2 LYS A 125 -6.719 6.809 -8.206 1.00 1.55 H new ATOM 0 HZ3 LYS A 125 -8.249 6.344 -7.636 1.00 1.55 H new ATOM 2006 N THR A 126 -6.413 11.015 -3.122 1.00 0.31 N ATOM 2007 CA THR A 126 -7.567 11.850 -3.348 1.00 0.31 C ATOM 2008 C THR A 126 -7.675 12.142 -4.834 1.00 0.34 C ATOM 2009 O THR A 126 -6.671 12.441 -5.478 1.00 0.39 O ATOM 2010 CB THR A 126 -7.453 13.179 -2.594 1.00 0.35 C ATOM 2011 OG1 THR A 126 -6.487 13.065 -1.540 1.00 0.42 O ATOM 2012 CG2 THR A 126 -8.795 13.587 -2.012 1.00 0.47 C ATOM 0 H THR A 126 -5.520 11.508 -3.115 1.00 0.31 H new ATOM 0 HA THR A 126 -8.449 11.322 -2.986 1.00 0.31 H new ATOM 0 HB THR A 126 -7.132 13.944 -3.301 1.00 0.35 H new ATOM 0 HG1 THR A 126 -6.533 13.859 -0.967 1.00 0.42 H new ATOM 0 HG21 THR A 126 -8.689 14.533 -1.481 1.00 0.47 H new ATOM 0 HG22 THR A 126 -9.521 13.702 -2.817 1.00 0.47 H new ATOM 0 HG23 THR A 126 -9.140 12.819 -1.319 1.00 0.47 H new ATOM 2020 N SER A 127 -8.869 12.042 -5.385 1.00 0.37 N ATOM 2021 CA SER A 127 -9.077 12.307 -6.796 1.00 0.45 C ATOM 2022 C SER A 127 -10.525 12.708 -7.001 1.00 0.51 C ATOM 2023 O SER A 127 -11.376 12.236 -6.273 1.00 0.52 O ATOM 2024 CB SER A 127 -8.746 11.060 -7.623 1.00 0.54 C ATOM 2025 OG SER A 127 -7.410 10.630 -7.393 1.00 0.87 O ATOM 0 H SER A 127 -9.712 11.778 -4.876 1.00 0.37 H new ATOM 0 HA SER A 127 -8.421 13.113 -7.124 1.00 0.45 H new ATOM 0 HB2 SER A 127 -9.438 10.257 -7.368 1.00 0.54 H new ATOM 0 HB3 SER A 127 -8.884 11.276 -8.682 1.00 0.54 H new ATOM 0 HG SER A 127 -7.226 9.832 -7.932 1.00 0.87 H new ATOM 2031 N GLU A 128 -10.788 13.598 -7.958 1.00 0.63 N ATOM 2032 CA GLU A 128 -12.143 14.132 -8.220 1.00 0.74 C ATOM 2033 C GLU A 128 -12.824 14.626 -6.951 1.00 0.66 C ATOM 2034 O GLU A 128 -14.053 14.609 -6.851 1.00 0.71 O ATOM 2035 CB GLU A 128 -13.075 13.122 -8.898 1.00 0.89 C ATOM 2036 CG GLU A 128 -13.396 11.880 -8.087 1.00 1.26 C ATOM 2037 CD GLU A 128 -14.289 10.906 -8.821 1.00 1.59 C ATOM 2038 OE1 GLU A 128 -13.789 10.195 -9.717 1.00 1.98 O ATOM 2039 OE2 GLU A 128 -15.492 10.831 -8.500 1.00 2.13 O ATOM 0 H GLU A 128 -10.073 13.975 -8.579 1.00 0.63 H new ATOM 0 HA GLU A 128 -11.975 14.966 -8.901 1.00 0.74 H new ATOM 0 HB2 GLU A 128 -14.010 13.625 -9.144 1.00 0.89 H new ATOM 0 HB3 GLU A 128 -12.622 12.812 -9.840 1.00 0.89 H new ATOM 0 HG2 GLU A 128 -12.466 11.379 -7.818 1.00 1.26 H new ATOM 0 HG3 GLU A 128 -13.880 12.176 -7.156 1.00 1.26 H new ATOM 2046 N ASN A 129 -12.018 15.065 -6.002 1.00 0.64 N ATOM 2047 CA ASN A 129 -12.492 15.505 -4.689 1.00 0.70 C ATOM 2048 C ASN A 129 -12.921 14.329 -3.819 1.00 0.59 C ATOM 2049 O ASN A 129 -13.144 14.487 -2.618 1.00 0.71 O ATOM 2050 CB ASN A 129 -13.645 16.504 -4.819 1.00 0.91 C ATOM 2051 CG ASN A 129 -13.174 17.893 -5.206 1.00 1.28 C ATOM 2052 OD1 ASN A 129 -12.875 18.719 -4.342 1.00 1.64 O ATOM 2053 ND2 ASN A 129 -13.109 18.167 -6.500 1.00 2.21 N ATOM 0 H ASN A 129 -11.006 15.129 -6.115 1.00 0.64 H new ATOM 0 HA ASN A 129 -11.652 16.001 -4.203 1.00 0.70 H new ATOM 0 HB2 ASN A 129 -14.351 16.143 -5.567 1.00 0.91 H new ATOM 0 HB3 ASN A 129 -14.183 16.558 -3.872 1.00 0.91 H new ATOM 0 HD21 ASN A 129 -12.803 19.089 -6.811 1.00 2.21 H new ATOM 0 HD22 ASN A 129 -13.365 17.456 -7.185 1.00 2.21 H new ATOM 2060 N LYS A 130 -13.020 13.149 -4.414 1.00 0.45 N ATOM 2061 CA LYS A 130 -13.418 11.969 -3.671 1.00 0.49 C ATOM 2062 C LYS A 130 -12.178 11.184 -3.257 1.00 0.42 C ATOM 2063 O LYS A 130 -11.257 10.983 -4.045 1.00 0.45 O ATOM 2064 CB LYS A 130 -14.369 11.108 -4.504 1.00 0.64 C ATOM 2065 CG LYS A 130 -15.099 10.039 -3.703 1.00 1.02 C ATOM 2066 CD LYS A 130 -16.311 9.509 -4.458 1.00 1.36 C ATOM 2067 CE LYS A 130 -15.910 8.828 -5.754 1.00 2.08 C ATOM 2068 NZ LYS A 130 -17.094 8.450 -6.573 1.00 2.80 N ATOM 0 H LYS A 130 -12.831 12.987 -5.403 1.00 0.45 H new ATOM 0 HA LYS A 130 -13.952 12.272 -2.770 1.00 0.49 H new ATOM 0 HB2 LYS A 130 -15.105 11.755 -4.981 1.00 0.64 H new ATOM 0 HB3 LYS A 130 -13.803 10.627 -5.301 1.00 0.64 H new ATOM 0 HG2 LYS A 130 -14.417 9.217 -3.484 1.00 1.02 H new ATOM 0 HG3 LYS A 130 -15.417 10.453 -2.746 1.00 1.02 H new ATOM 0 HD2 LYS A 130 -16.852 8.803 -3.828 1.00 1.36 H new ATOM 0 HD3 LYS A 130 -16.993 10.331 -4.675 1.00 1.36 H new ATOM 0 HE2 LYS A 130 -15.268 9.494 -6.330 1.00 2.08 H new ATOM 0 HE3 LYS A 130 -15.325 7.936 -5.529 1.00 2.08 H new ATOM 0 HZ1 LYS A 130 -16.816 7.737 -7.277 1.00 2.80 H new ATOM 0 HZ2 LYS A 130 -17.832 8.057 -5.955 1.00 2.80 H new ATOM 0 HZ3 LYS A 130 -17.462 9.292 -7.060 1.00 2.80 H new ATOM 2082 N GLN A 131 -12.142 10.760 -2.016 1.00 0.43 N ATOM 2083 CA GLN A 131 -10.949 10.135 -1.480 1.00 0.44 C ATOM 2084 C GLN A 131 -11.016 8.617 -1.592 1.00 0.48 C ATOM 2085 O GLN A 131 -12.077 8.014 -1.420 1.00 0.59 O ATOM 2086 CB GLN A 131 -10.756 10.532 -0.019 1.00 0.55 C ATOM 2087 CG GLN A 131 -10.462 12.009 0.153 1.00 0.56 C ATOM 2088 CD GLN A 131 -10.612 12.475 1.584 1.00 0.77 C ATOM 2089 OE1 GLN A 131 -11.688 12.908 1.997 1.00 1.11 O ATOM 2090 NE2 GLN A 131 -9.539 12.382 2.355 1.00 1.57 N ATOM 0 H GLN A 131 -12.919 10.834 -1.359 1.00 0.43 H new ATOM 0 HA GLN A 131 -10.101 10.484 -2.069 1.00 0.44 H new ATOM 0 HB2 GLN A 131 -11.654 10.277 0.544 1.00 0.55 H new ATOM 0 HB3 GLN A 131 -9.937 9.951 0.406 1.00 0.55 H new ATOM 0 HG2 GLN A 131 -9.447 12.214 -0.186 1.00 0.56 H new ATOM 0 HG3 GLN A 131 -11.134 12.585 -0.484 1.00 0.56 H new ATOM 0 HE21 GLN A 131 -8.666 12.017 1.973 1.00 1.57 H new ATOM 0 HE22 GLN A 131 -9.585 12.675 3.331 1.00 1.57 H new ATOM 2099 N TYR A 132 -9.880 8.015 -1.900 1.00 0.45 N ATOM 2100 CA TYR A 132 -9.723 6.570 -1.839 1.00 0.50 C ATOM 2101 C TYR A 132 -8.548 6.273 -0.925 1.00 0.44 C ATOM 2102 O TYR A 132 -7.510 6.924 -1.002 1.00 0.51 O ATOM 2103 CB TYR A 132 -9.493 5.947 -3.222 1.00 0.57 C ATOM 2104 CG TYR A 132 -10.534 6.320 -4.258 1.00 0.68 C ATOM 2105 CD1 TYR A 132 -10.519 7.562 -4.883 1.00 0.68 C ATOM 2106 CD2 TYR A 132 -11.528 5.420 -4.613 1.00 0.87 C ATOM 2107 CE1 TYR A 132 -11.467 7.895 -5.832 1.00 0.81 C ATOM 2108 CE2 TYR A 132 -12.481 5.745 -5.557 1.00 1.01 C ATOM 2109 CZ TYR A 132 -12.446 6.982 -6.164 1.00 0.96 C ATOM 2110 OH TYR A 132 -13.387 7.302 -7.113 1.00 1.12 O ATOM 0 H TYR A 132 -9.041 8.512 -2.199 1.00 0.45 H new ATOM 0 HA TYR A 132 -10.643 6.129 -1.454 1.00 0.50 H new ATOM 0 HB2 TYR A 132 -8.511 6.251 -3.585 1.00 0.57 H new ATOM 0 HB3 TYR A 132 -9.473 4.862 -3.119 1.00 0.57 H new ATOM 0 HD1 TYR A 132 -9.754 8.278 -4.623 1.00 0.68 H new ATOM 0 HD2 TYR A 132 -11.557 4.448 -4.143 1.00 0.87 H new ATOM 0 HE1 TYR A 132 -11.441 8.863 -6.310 1.00 0.81 H new ATOM 0 HE2 TYR A 132 -13.250 5.034 -5.819 1.00 1.01 H new ATOM 0 HH TYR A 132 -14.003 6.549 -7.230 1.00 1.12 H new ATOM 2120 N PHE A 133 -8.713 5.303 -0.058 1.00 0.40 N ATOM 2121 CA PHE A 133 -7.817 5.136 1.074 1.00 0.30 C ATOM 2122 C PHE A 133 -7.786 3.684 1.516 1.00 0.25 C ATOM 2123 O PHE A 133 -8.811 2.991 1.472 1.00 0.30 O ATOM 2124 CB PHE A 133 -8.284 6.049 2.221 1.00 0.45 C ATOM 2125 CG PHE A 133 -9.785 6.102 2.349 1.00 0.82 C ATOM 2126 CD1 PHE A 133 -10.537 6.886 1.487 1.00 1.20 C ATOM 2127 CD2 PHE A 133 -10.444 5.346 3.297 1.00 1.31 C ATOM 2128 CE1 PHE A 133 -11.908 6.915 1.573 1.00 1.74 C ATOM 2129 CE2 PHE A 133 -11.814 5.369 3.383 1.00 1.82 C ATOM 2130 CZ PHE A 133 -12.545 6.153 2.519 1.00 1.95 C ATOM 0 H PHE A 133 -9.461 4.612 -0.110 1.00 0.40 H new ATOM 0 HA PHE A 133 -6.804 5.415 0.784 1.00 0.30 H new ATOM 0 HB2 PHE A 133 -7.856 5.695 3.159 1.00 0.45 H new ATOM 0 HB3 PHE A 133 -7.902 7.056 2.056 1.00 0.45 H new ATOM 0 HD1 PHE A 133 -10.038 7.482 0.737 1.00 1.20 H new ATOM 0 HD2 PHE A 133 -9.876 4.730 3.978 1.00 1.31 H new ATOM 0 HE1 PHE A 133 -12.481 7.535 0.899 1.00 1.74 H new ATOM 0 HE2 PHE A 133 -12.318 4.772 4.128 1.00 1.82 H new ATOM 0 HZ PHE A 133 -13.623 6.168 2.586 1.00 1.95 H new ATOM 2140 N LYS A 134 -6.611 3.217 1.906 1.00 0.21 N ATOM 2141 CA LYS A 134 -6.452 1.841 2.341 1.00 0.24 C ATOM 2142 C LYS A 134 -5.286 1.706 3.315 1.00 0.17 C ATOM 2143 O LYS A 134 -4.383 2.544 3.343 1.00 0.20 O ATOM 2144 CB LYS A 134 -6.198 0.930 1.133 1.00 0.38 C ATOM 2145 CG LYS A 134 -4.770 1.002 0.615 1.00 0.53 C ATOM 2146 CD LYS A 134 -4.501 -0.059 -0.434 1.00 0.76 C ATOM 2147 CE LYS A 134 -3.008 -0.292 -0.625 1.00 0.61 C ATOM 2148 NZ LYS A 134 -2.304 0.925 -1.097 1.00 1.30 N ATOM 0 H LYS A 134 -5.755 3.771 1.930 1.00 0.21 H new ATOM 0 HA LYS A 134 -7.372 1.543 2.844 1.00 0.24 H new ATOM 0 HB2 LYS A 134 -6.426 -0.100 1.409 1.00 0.38 H new ATOM 0 HB3 LYS A 134 -6.883 1.203 0.330 1.00 0.38 H new ATOM 0 HG2 LYS A 134 -4.586 1.989 0.190 1.00 0.53 H new ATOM 0 HG3 LYS A 134 -4.075 0.878 1.445 1.00 0.53 H new ATOM 0 HD2 LYS A 134 -4.981 -0.992 -0.140 1.00 0.76 H new ATOM 0 HD3 LYS A 134 -4.947 0.244 -1.381 1.00 0.76 H new ATOM 0 HE2 LYS A 134 -2.570 -0.620 0.318 1.00 0.61 H new ATOM 0 HE3 LYS A 134 -2.857 -1.098 -1.343 1.00 0.61 H new ATOM 0 HZ1 LYS A 134 -1.679 0.679 -1.891 1.00 1.30 H new ATOM 0 HZ2 LYS A 134 -3.001 1.629 -1.412 1.00 1.30 H new ATOM 0 HZ3 LYS A 134 -1.738 1.322 -0.320 1.00 1.30 H new ATOM 2162 N VAL A 135 -5.312 0.643 4.096 1.00 0.16 N ATOM 2163 CA VAL A 135 -4.160 0.224 4.860 1.00 0.17 C ATOM 2164 C VAL A 135 -3.693 -1.118 4.292 1.00 0.20 C ATOM 2165 O VAL A 135 -4.506 -2.001 4.014 1.00 0.30 O ATOM 2166 CB VAL A 135 -4.464 0.120 6.381 1.00 0.24 C ATOM 2167 CG1 VAL A 135 -5.264 -1.128 6.740 1.00 0.39 C ATOM 2168 CG2 VAL A 135 -3.177 0.187 7.188 1.00 0.78 C ATOM 0 H VAL A 135 -6.132 0.049 4.216 1.00 0.16 H new ATOM 0 HA VAL A 135 -3.373 0.972 4.770 1.00 0.17 H new ATOM 0 HB VAL A 135 -5.090 0.975 6.638 1.00 0.24 H new ATOM 0 HG11 VAL A 135 -5.446 -1.147 7.815 1.00 0.39 H new ATOM 0 HG12 VAL A 135 -6.217 -1.114 6.211 1.00 0.39 H new ATOM 0 HG13 VAL A 135 -4.702 -2.016 6.452 1.00 0.39 H new ATOM 0 HG21 VAL A 135 -3.409 0.113 8.250 1.00 0.78 H new ATOM 0 HG22 VAL A 135 -2.524 -0.637 6.901 1.00 0.78 H new ATOM 0 HG23 VAL A 135 -2.674 1.134 6.992 1.00 0.78 H new ATOM 2178 N THR A 136 -2.405 -1.252 4.047 1.00 0.20 N ATOM 2179 CA THR A 136 -1.887 -2.452 3.416 1.00 0.22 C ATOM 2180 C THR A 136 -0.863 -3.139 4.313 1.00 0.24 C ATOM 2181 O THR A 136 -0.150 -2.485 5.078 1.00 0.47 O ATOM 2182 CB THR A 136 -1.263 -2.139 2.035 1.00 0.43 C ATOM 2183 OG1 THR A 136 -0.721 -3.324 1.439 1.00 1.41 O ATOM 2184 CG2 THR A 136 -0.182 -1.083 2.141 1.00 0.65 C ATOM 0 H THR A 136 -1.700 -0.550 4.273 1.00 0.20 H new ATOM 0 HA THR A 136 -2.727 -3.129 3.263 1.00 0.22 H new ATOM 0 HB THR A 136 -2.062 -1.754 1.401 1.00 0.43 H new ATOM 0 HG1 THR A 136 -0.333 -3.103 0.566 1.00 1.41 H new ATOM 0 HG21 THR A 136 0.234 -0.888 1.153 1.00 0.65 H new ATOM 0 HG22 THR A 136 -0.609 -0.164 2.543 1.00 0.65 H new ATOM 0 HG23 THR A 136 0.608 -1.436 2.804 1.00 0.65 H new ATOM 2192 N LEU A 137 -0.803 -4.457 4.214 1.00 0.18 N ATOM 2193 CA LEU A 137 0.101 -5.250 5.026 1.00 0.21 C ATOM 2194 C LEU A 137 1.237 -5.777 4.158 1.00 0.17 C ATOM 2195 O LEU A 137 0.995 -6.502 3.190 1.00 0.25 O ATOM 2196 CB LEU A 137 -0.671 -6.417 5.658 1.00 0.33 C ATOM 2197 CG LEU A 137 -0.062 -7.039 6.921 1.00 0.34 C ATOM 2198 CD1 LEU A 137 1.246 -7.748 6.613 1.00 0.97 C ATOM 2199 CD2 LEU A 137 0.152 -5.973 7.981 1.00 0.68 C ATOM 0 H LEU A 137 -1.377 -5.003 3.572 1.00 0.18 H new ATOM 0 HA LEU A 137 0.521 -4.632 5.819 1.00 0.21 H new ATOM 0 HB2 LEU A 137 -1.676 -6.070 5.900 1.00 0.33 H new ATOM 0 HB3 LEU A 137 -0.776 -7.201 4.909 1.00 0.33 H new ATOM 0 HG LEU A 137 -0.763 -7.782 7.301 1.00 0.34 H new ATOM 0 HD11 LEU A 137 1.651 -8.178 7.529 1.00 0.97 H new ATOM 0 HD12 LEU A 137 1.068 -8.542 5.888 1.00 0.97 H new ATOM 0 HD13 LEU A 137 1.959 -7.034 6.201 1.00 0.97 H new ATOM 0 HD21 LEU A 137 0.585 -6.428 8.872 1.00 0.68 H new ATOM 0 HD22 LEU A 137 0.829 -5.210 7.598 1.00 0.68 H new ATOM 0 HD23 LEU A 137 -0.804 -5.515 8.235 1.00 0.68 H new ATOM 2211 N TYR A 138 2.465 -5.407 4.507 1.00 0.18 N ATOM 2212 CA TYR A 138 3.645 -5.865 3.785 1.00 0.26 C ATOM 2213 C TYR A 138 4.547 -6.701 4.683 1.00 0.20 C ATOM 2214 O TYR A 138 4.510 -6.577 5.908 1.00 0.25 O ATOM 2215 CB TYR A 138 4.452 -4.688 3.235 1.00 0.44 C ATOM 2216 CG TYR A 138 3.824 -3.999 2.047 1.00 0.59 C ATOM 2217 CD1 TYR A 138 3.681 -4.659 0.834 1.00 1.36 C ATOM 2218 CD2 TYR A 138 3.388 -2.688 2.133 1.00 0.54 C ATOM 2219 CE1 TYR A 138 3.115 -4.032 -0.258 1.00 2.04 C ATOM 2220 CE2 TYR A 138 2.824 -2.050 1.048 1.00 1.18 C ATOM 2221 CZ TYR A 138 2.688 -2.725 -0.147 1.00 1.94 C ATOM 2222 OH TYR A 138 2.124 -2.096 -1.235 1.00 2.64 O ATOM 0 H TYR A 138 2.669 -4.787 5.291 1.00 0.18 H new ATOM 0 HA TYR A 138 3.290 -6.477 2.955 1.00 0.26 H new ATOM 0 HB2 TYR A 138 4.592 -3.957 4.031 1.00 0.44 H new ATOM 0 HB3 TYR A 138 5.442 -5.044 2.951 1.00 0.44 H new ATOM 0 HD1 TYR A 138 4.018 -5.681 0.743 1.00 1.36 H new ATOM 0 HD2 TYR A 138 3.491 -2.155 3.067 1.00 0.54 H new ATOM 0 HE1 TYR A 138 3.007 -4.561 -1.193 1.00 2.04 H new ATOM 0 HE2 TYR A 138 2.490 -1.026 1.134 1.00 1.18 H new ATOM 0 HH TYR A 138 1.876 -1.180 -0.991 1.00 2.64 H new ATOM 2232 N GLY A 139 5.350 -7.543 4.058 1.00 0.28 N ATOM 2233 CA GLY A 139 6.317 -8.353 4.768 1.00 0.29 C ATOM 2234 C GLY A 139 7.538 -8.600 3.902 1.00 0.33 C ATOM 2235 O GLY A 139 7.454 -8.448 2.684 1.00 0.45 O ATOM 0 H GLY A 139 5.349 -7.683 3.048 1.00 0.28 H new ATOM 0 HA2 GLY A 139 6.613 -7.853 5.690 1.00 0.29 H new ATOM 0 HA3 GLY A 139 5.866 -9.304 5.052 1.00 0.29 H new ATOM 2239 N ARG A 140 8.666 -8.974 4.499 1.00 0.37 N ATOM 2240 CA ARG A 140 9.851 -9.336 3.714 1.00 0.49 C ATOM 2241 C ARG A 140 9.555 -10.566 2.861 1.00 0.38 C ATOM 2242 O ARG A 140 10.073 -10.724 1.754 1.00 0.51 O ATOM 2243 CB ARG A 140 11.057 -9.604 4.626 1.00 0.78 C ATOM 2244 CG ARG A 140 12.218 -10.285 3.912 1.00 1.61 C ATOM 2245 CD ARG A 140 13.462 -10.366 4.784 1.00 1.91 C ATOM 2246 NE ARG A 140 14.138 -9.073 4.892 1.00 2.46 N ATOM 2247 CZ ARG A 140 15.395 -8.917 5.304 1.00 3.13 C ATOM 2248 NH1 ARG A 140 16.104 -9.966 5.698 1.00 3.38 N ATOM 2249 NH2 ARG A 140 15.937 -7.706 5.320 1.00 3.99 N ATOM 0 H ARG A 140 8.788 -9.035 5.510 1.00 0.37 H new ATOM 0 HA ARG A 140 10.098 -8.498 3.063 1.00 0.49 H new ATOM 0 HB2 ARG A 140 11.403 -8.659 5.046 1.00 0.78 H new ATOM 0 HB3 ARG A 140 10.739 -10.227 5.462 1.00 0.78 H new ATOM 0 HG2 ARG A 140 11.919 -11.290 3.614 1.00 1.61 H new ATOM 0 HG3 ARG A 140 12.452 -9.738 2.999 1.00 1.61 H new ATOM 0 HD2 ARG A 140 13.186 -10.715 5.779 1.00 1.91 H new ATOM 0 HD3 ARG A 140 14.150 -11.102 4.367 1.00 1.91 H new ATOM 0 HE ARG A 140 13.613 -8.237 4.635 1.00 2.46 H new ATOM 0 HH11 ARG A 140 15.687 -10.897 5.686 1.00 3.38 H new ATOM 0 HH12 ARG A 140 17.066 -9.842 6.013 1.00 3.38 H new ATOM 0 HH21 ARG A 140 15.391 -6.899 5.018 1.00 3.99 H new ATOM 0 HH22 ARG A 140 16.899 -7.582 5.635 1.00 3.99 H new ATOM 2263 N THR A 141 8.701 -11.422 3.386 1.00 0.40 N ATOM 2264 CA THR A 141 8.317 -12.636 2.708 1.00 0.58 C ATOM 2265 C THR A 141 6.836 -12.903 2.959 1.00 0.64 C ATOM 2266 O THR A 141 6.204 -12.210 3.761 1.00 1.14 O ATOM 2267 CB THR A 141 9.179 -13.826 3.193 1.00 0.85 C ATOM 2268 OG1 THR A 141 8.897 -14.993 2.415 1.00 1.13 O ATOM 2269 CG2 THR A 141 8.935 -14.118 4.668 1.00 0.94 C ATOM 0 H THR A 141 8.256 -11.292 4.295 1.00 0.40 H new ATOM 0 HA THR A 141 8.484 -12.520 1.637 1.00 0.58 H new ATOM 0 HB THR A 141 10.227 -13.553 3.066 1.00 0.85 H new ATOM 0 HG1 THR A 141 9.450 -15.738 2.731 1.00 1.13 H new ATOM 0 HG21 THR A 141 9.554 -14.959 4.980 1.00 0.94 H new ATOM 0 HG22 THR A 141 9.191 -13.239 5.260 1.00 0.94 H new ATOM 0 HG23 THR A 141 7.884 -14.365 4.821 1.00 0.94 H new ATOM 2277 N LYS A 142 6.285 -13.904 2.283 1.00 0.79 N ATOM 2278 CA LYS A 142 4.868 -14.229 2.409 1.00 0.87 C ATOM 2279 C LYS A 142 4.623 -15.046 3.671 1.00 0.84 C ATOM 2280 O LYS A 142 3.522 -15.536 3.920 1.00 1.09 O ATOM 2281 CB LYS A 142 4.391 -15.021 1.196 1.00 1.02 C ATOM 2282 CG LYS A 142 4.774 -14.416 -0.145 1.00 1.17 C ATOM 2283 CD LYS A 142 4.283 -15.299 -1.273 1.00 0.84 C ATOM 2284 CE LYS A 142 4.733 -14.811 -2.642 1.00 0.85 C ATOM 2285 NZ LYS A 142 4.136 -15.638 -3.722 1.00 1.57 N ATOM 0 H LYS A 142 6.799 -14.507 1.640 1.00 0.79 H new ATOM 0 HA LYS A 142 4.310 -13.295 2.469 1.00 0.87 H new ATOM 0 HB2 LYS A 142 4.799 -16.030 1.254 1.00 1.02 H new ATOM 0 HB3 LYS A 142 3.306 -15.112 1.242 1.00 1.02 H new ATOM 0 HG2 LYS A 142 4.343 -13.419 -0.239 1.00 1.17 H new ATOM 0 HG3 LYS A 142 5.856 -14.303 -0.206 1.00 1.17 H new ATOM 0 HD2 LYS A 142 4.646 -16.315 -1.117 1.00 0.84 H new ATOM 0 HD3 LYS A 142 3.194 -15.342 -1.247 1.00 0.84 H new ATOM 0 HE2 LYS A 142 4.443 -13.769 -2.774 1.00 0.85 H new ATOM 0 HE3 LYS A 142 5.820 -14.850 -2.707 1.00 0.85 H new ATOM 0 HZ1 LYS A 142 4.757 -15.620 -4.556 1.00 1.57 H new ATOM 0 HZ2 LYS A 142 4.029 -16.618 -3.390 1.00 1.57 H new ATOM 0 HZ3 LYS A 142 3.203 -15.255 -3.977 1.00 1.57 H new ATOM 2299 N GLY A 143 5.670 -15.178 4.458 1.00 0.67 N ATOM 2300 CA GLY A 143 5.615 -15.956 5.676 1.00 0.70 C ATOM 2301 C GLY A 143 5.320 -15.100 6.889 1.00 0.62 C ATOM 2302 O GLY A 143 6.077 -15.102 7.863 1.00 0.74 O ATOM 0 H GLY A 143 6.578 -14.751 4.272 1.00 0.67 H new ATOM 0 HA2 GLY A 143 4.847 -16.724 5.580 1.00 0.70 H new ATOM 0 HA3 GLY A 143 6.565 -16.471 5.819 1.00 0.70 H new ATOM 2306 N LEU A 144 4.223 -14.363 6.825 1.00 0.52 N ATOM 2307 CA LEU A 144 3.810 -13.500 7.920 1.00 0.46 C ATOM 2308 C LEU A 144 2.615 -14.102 8.641 1.00 0.48 C ATOM 2309 O LEU A 144 1.635 -14.510 8.014 1.00 0.53 O ATOM 2310 CB LEU A 144 3.468 -12.106 7.401 1.00 0.43 C ATOM 2311 CG LEU A 144 4.640 -11.323 6.801 1.00 0.40 C ATOM 2312 CD1 LEU A 144 4.232 -9.878 6.561 1.00 0.56 C ATOM 2313 CD2 LEU A 144 5.857 -11.383 7.711 1.00 0.56 C ATOM 0 H LEU A 144 3.598 -14.346 6.019 1.00 0.52 H new ATOM 0 HA LEU A 144 4.637 -13.413 8.625 1.00 0.46 H new ATOM 0 HB2 LEU A 144 2.690 -12.200 6.644 1.00 0.43 H new ATOM 0 HB3 LEU A 144 3.046 -11.525 8.221 1.00 0.43 H new ATOM 0 HG LEU A 144 4.907 -11.781 5.848 1.00 0.40 H new ATOM 0 HD11 LEU A 144 5.071 -9.329 6.134 1.00 0.56 H new ATOM 0 HD12 LEU A 144 3.390 -9.848 5.870 1.00 0.56 H new ATOM 0 HD13 LEU A 144 3.942 -9.420 7.507 1.00 0.56 H new ATOM 0 HD21 LEU A 144 6.675 -10.819 7.262 1.00 0.56 H new ATOM 0 HD22 LEU A 144 5.608 -10.951 8.680 1.00 0.56 H new ATOM 0 HD23 LEU A 144 6.161 -12.421 7.843 1.00 0.56 H new ATOM 2325 N SER A 145 2.714 -14.155 9.961 1.00 0.51 N ATOM 2326 CA SER A 145 1.695 -14.766 10.799 1.00 0.56 C ATOM 2327 C SER A 145 0.403 -13.957 10.763 1.00 0.50 C ATOM 2328 O SER A 145 0.418 -12.745 10.541 1.00 0.49 O ATOM 2329 CB SER A 145 2.219 -14.850 12.232 1.00 0.65 C ATOM 2330 OG SER A 145 3.545 -15.351 12.255 1.00 1.43 O ATOM 0 H SER A 145 3.505 -13.775 10.481 1.00 0.51 H new ATOM 0 HA SER A 145 1.476 -15.765 10.422 1.00 0.56 H new ATOM 0 HB2 SER A 145 2.191 -13.863 12.693 1.00 0.65 H new ATOM 0 HB3 SER A 145 1.571 -15.497 12.824 1.00 0.65 H new ATOM 0 HG SER A 145 3.862 -15.395 13.181 1.00 1.43 H new ATOM 2336 N ASP A 146 -0.715 -14.636 10.996 1.00 0.53 N ATOM 2337 CA ASP A 146 -2.027 -13.994 10.983 1.00 0.51 C ATOM 2338 C ASP A 146 -2.126 -12.913 12.049 1.00 0.48 C ATOM 2339 O ASP A 146 -2.923 -11.989 11.919 1.00 0.46 O ATOM 2340 CB ASP A 146 -3.144 -15.018 11.180 1.00 0.62 C ATOM 2341 CG ASP A 146 -3.706 -15.523 9.866 1.00 1.15 C ATOM 2342 OD1 ASP A 146 -3.119 -16.460 9.288 1.00 1.24 O ATOM 2343 OD2 ASP A 146 -4.738 -14.989 9.407 1.00 2.08 O ATOM 0 H ASP A 146 -0.740 -15.636 11.197 1.00 0.53 H new ATOM 0 HA ASP A 146 -2.146 -13.528 10.005 1.00 0.51 H new ATOM 0 HB2 ASP A 146 -2.762 -15.861 11.756 1.00 0.62 H new ATOM 0 HB3 ASP A 146 -3.946 -14.568 11.766 1.00 0.62 H new ATOM 2348 N GLU A 147 -1.314 -13.033 13.095 1.00 0.51 N ATOM 2349 CA GLU A 147 -1.273 -12.038 14.163 1.00 0.53 C ATOM 2350 C GLU A 147 -0.990 -10.644 13.607 1.00 0.45 C ATOM 2351 O GLU A 147 -1.703 -9.689 13.909 1.00 0.46 O ATOM 2352 CB GLU A 147 -0.190 -12.405 15.177 1.00 0.62 C ATOM 2353 CG GLU A 147 -0.131 -11.471 16.372 1.00 0.72 C ATOM 2354 CD GLU A 147 1.109 -11.682 17.211 1.00 1.25 C ATOM 2355 OE1 GLU A 147 1.305 -12.799 17.730 1.00 1.48 O ATOM 2356 OE2 GLU A 147 1.899 -10.727 17.353 1.00 1.99 O ATOM 0 H GLU A 147 -0.672 -13.814 13.226 1.00 0.51 H new ATOM 0 HA GLU A 147 -2.248 -12.028 14.650 1.00 0.53 H new ATOM 0 HB2 GLU A 147 -0.365 -13.421 15.530 1.00 0.62 H new ATOM 0 HB3 GLU A 147 0.779 -12.403 14.677 1.00 0.62 H new ATOM 0 HG2 GLU A 147 -0.159 -10.438 16.024 1.00 0.72 H new ATOM 0 HG3 GLU A 147 -1.015 -11.622 16.991 1.00 0.72 H new ATOM 2363 N LEU A 148 0.042 -10.535 12.774 1.00 0.41 N ATOM 2364 CA LEU A 148 0.438 -9.240 12.233 1.00 0.37 C ATOM 2365 C LEU A 148 -0.587 -8.751 11.209 1.00 0.31 C ATOM 2366 O LEU A 148 -0.817 -7.550 11.056 1.00 0.29 O ATOM 2367 CB LEU A 148 1.865 -9.305 11.646 1.00 0.37 C ATOM 2368 CG LEU A 148 2.135 -10.362 10.565 1.00 0.35 C ATOM 2369 CD1 LEU A 148 1.645 -9.897 9.206 1.00 0.33 C ATOM 2370 CD2 LEU A 148 3.620 -10.682 10.489 1.00 0.38 C ATOM 0 H LEU A 148 0.614 -11.320 12.462 1.00 0.41 H new ATOM 0 HA LEU A 148 0.459 -8.511 13.043 1.00 0.37 H new ATOM 0 HB2 LEU A 148 2.103 -8.327 11.228 1.00 0.37 H new ATOM 0 HB3 LEU A 148 2.560 -9.478 12.468 1.00 0.37 H new ATOM 0 HG LEU A 148 1.587 -11.262 10.842 1.00 0.35 H new ATOM 0 HD11 LEU A 148 1.850 -10.667 8.462 1.00 0.33 H new ATOM 0 HD12 LEU A 148 0.572 -9.712 9.250 1.00 0.33 H new ATOM 0 HD13 LEU A 148 2.160 -8.978 8.928 1.00 0.33 H new ATOM 0 HD21 LEU A 148 3.791 -11.433 9.718 1.00 0.38 H new ATOM 0 HD22 LEU A 148 4.175 -9.777 10.244 1.00 0.38 H new ATOM 0 HD23 LEU A 148 3.959 -11.066 11.451 1.00 0.38 H new ATOM 2382 N LYS A 149 -1.227 -9.698 10.543 1.00 0.31 N ATOM 2383 CA LYS A 149 -2.258 -9.380 9.569 1.00 0.29 C ATOM 2384 C LYS A 149 -3.499 -8.844 10.271 1.00 0.29 C ATOM 2385 O LYS A 149 -4.070 -7.841 9.862 1.00 0.28 O ATOM 2386 CB LYS A 149 -2.605 -10.624 8.750 1.00 0.35 C ATOM 2387 CG LYS A 149 -1.509 -11.028 7.778 1.00 0.78 C ATOM 2388 CD LYS A 149 -1.618 -12.489 7.368 1.00 0.80 C ATOM 2389 CE LYS A 149 -3.003 -12.843 6.851 1.00 0.83 C ATOM 2390 NZ LYS A 149 -3.040 -14.218 6.290 1.00 1.22 N ATOM 0 H LYS A 149 -1.050 -10.696 10.660 1.00 0.31 H new ATOM 0 HA LYS A 149 -1.882 -8.610 8.895 1.00 0.29 H new ATOM 0 HB2 LYS A 149 -2.803 -11.454 9.429 1.00 0.35 H new ATOM 0 HB3 LYS A 149 -3.524 -10.440 8.194 1.00 0.35 H new ATOM 0 HG2 LYS A 149 -1.562 -10.398 6.890 1.00 0.78 H new ATOM 0 HG3 LYS A 149 -0.536 -10.852 8.236 1.00 0.78 H new ATOM 0 HD2 LYS A 149 -0.879 -12.703 6.596 1.00 0.80 H new ATOM 0 HD3 LYS A 149 -1.379 -13.122 8.222 1.00 0.80 H new ATOM 0 HE2 LYS A 149 -3.727 -12.760 7.661 1.00 0.83 H new ATOM 0 HE3 LYS A 149 -3.300 -12.128 6.084 1.00 0.83 H new ATOM 0 HZ1 LYS A 149 -3.999 -14.427 5.946 1.00 1.22 H new ATOM 0 HZ2 LYS A 149 -2.366 -14.289 5.501 1.00 1.22 H new ATOM 0 HZ3 LYS A 149 -2.780 -14.902 7.029 1.00 1.22 H new ATOM 2404 N GLU A 150 -3.906 -9.504 11.341 1.00 0.33 N ATOM 2405 CA GLU A 150 -5.035 -9.033 12.127 1.00 0.35 C ATOM 2406 C GLU A 150 -4.756 -7.639 12.675 1.00 0.34 C ATOM 2407 O GLU A 150 -5.674 -6.834 12.831 1.00 0.35 O ATOM 2408 CB GLU A 150 -5.373 -10.002 13.260 1.00 0.42 C ATOM 2409 CG GLU A 150 -5.981 -11.308 12.775 1.00 1.02 C ATOM 2410 CD GLU A 150 -6.553 -12.136 13.905 1.00 1.39 C ATOM 2411 OE1 GLU A 150 -7.660 -11.805 14.383 1.00 1.83 O ATOM 2412 OE2 GLU A 150 -5.907 -13.120 14.317 1.00 2.00 O ATOM 0 H GLU A 150 -3.475 -10.362 11.685 1.00 0.33 H new ATOM 0 HA GLU A 150 -5.902 -8.983 11.469 1.00 0.35 H new ATOM 0 HB2 GLU A 150 -4.467 -10.219 13.825 1.00 0.42 H new ATOM 0 HB3 GLU A 150 -6.068 -9.519 13.946 1.00 0.42 H new ATOM 0 HG2 GLU A 150 -6.768 -11.092 12.052 1.00 1.02 H new ATOM 0 HG3 GLU A 150 -5.220 -11.888 12.253 1.00 1.02 H new ATOM 2419 N ARG A 151 -3.492 -7.356 12.981 1.00 0.33 N ATOM 2420 CA ARG A 151 -3.099 -6.010 13.375 1.00 0.35 C ATOM 2421 C ARG A 151 -3.534 -5.003 12.313 1.00 0.30 C ATOM 2422 O ARG A 151 -4.148 -3.982 12.637 1.00 0.32 O ATOM 2423 CB ARG A 151 -1.590 -5.893 13.586 1.00 0.41 C ATOM 2424 CG ARG A 151 -1.036 -6.763 14.699 1.00 1.21 C ATOM 2425 CD ARG A 151 0.433 -6.461 14.933 1.00 1.20 C ATOM 2426 NE ARG A 151 1.079 -7.448 15.797 1.00 1.71 N ATOM 2427 CZ ARG A 151 2.342 -7.353 16.215 1.00 1.97 C ATOM 2428 NH1 ARG A 151 3.061 -6.274 15.931 1.00 1.74 N ATOM 2429 NH2 ARG A 151 2.878 -8.329 16.931 1.00 2.88 N ATOM 0 H ARG A 151 -2.731 -8.035 12.964 1.00 0.33 H new ATOM 0 HA ARG A 151 -3.594 -5.795 14.322 1.00 0.35 H new ATOM 0 HB2 ARG A 151 -1.086 -6.152 12.655 1.00 0.41 H new ATOM 0 HB3 ARG A 151 -1.347 -4.853 13.801 1.00 0.41 H new ATOM 0 HG2 ARG A 151 -1.599 -6.591 15.617 1.00 1.21 H new ATOM 0 HG3 ARG A 151 -1.160 -7.815 14.441 1.00 1.21 H new ATOM 0 HD2 ARG A 151 0.951 -6.429 13.974 1.00 1.20 H new ATOM 0 HD3 ARG A 151 0.530 -5.472 15.381 1.00 1.20 H new ATOM 0 HE ARG A 151 0.533 -8.255 16.097 1.00 1.71 H new ATOM 0 HH11 ARG A 151 2.648 -5.513 15.391 1.00 1.74 H new ATOM 0 HH12 ARG A 151 4.027 -6.205 16.253 1.00 1.74 H new ATOM 0 HH21 ARG A 151 2.325 -9.154 17.163 1.00 2.88 H new ATOM 0 HH22 ARG A 151 3.844 -8.256 17.250 1.00 2.88 H new ATOM 2443 N PHE A 152 -3.235 -5.296 11.045 1.00 0.28 N ATOM 2444 CA PHE A 152 -3.589 -4.376 9.968 1.00 0.27 C ATOM 2445 C PHE A 152 -5.104 -4.279 9.809 1.00 0.23 C ATOM 2446 O PHE A 152 -5.629 -3.184 9.640 1.00 0.24 O ATOM 2447 CB PHE A 152 -2.908 -4.747 8.627 1.00 0.30 C ATOM 2448 CG PHE A 152 -3.781 -5.467 7.622 1.00 0.25 C ATOM 2449 CD1 PHE A 152 -4.799 -4.798 6.962 1.00 0.21 C ATOM 2450 CD2 PHE A 152 -3.585 -6.809 7.344 1.00 0.28 C ATOM 2451 CE1 PHE A 152 -5.604 -5.449 6.058 1.00 0.19 C ATOM 2452 CE2 PHE A 152 -4.388 -7.468 6.434 1.00 0.26 C ATOM 2453 CZ PHE A 152 -5.401 -6.787 5.791 1.00 0.21 C ATOM 0 H PHE A 152 -2.758 -6.146 10.745 1.00 0.28 H new ATOM 0 HA PHE A 152 -3.211 -3.394 10.251 1.00 0.27 H new ATOM 0 HB2 PHE A 152 -2.534 -3.833 8.166 1.00 0.30 H new ATOM 0 HB3 PHE A 152 -2.042 -5.373 8.842 1.00 0.30 H new ATOM 0 HD1 PHE A 152 -4.962 -3.749 7.161 1.00 0.21 H new ATOM 0 HD2 PHE A 152 -2.794 -7.347 7.845 1.00 0.28 H new ATOM 0 HE1 PHE A 152 -6.396 -4.913 5.556 1.00 0.19 H new ATOM 0 HE2 PHE A 152 -4.223 -8.515 6.226 1.00 0.26 H new ATOM 0 HZ PHE A 152 -6.033 -7.300 5.081 1.00 0.21 H new ATOM 2463 N VAL A 153 -5.812 -5.414 9.856 1.00 0.22 N ATOM 2464 CA VAL A 153 -7.261 -5.389 9.668 1.00 0.22 C ATOM 2465 C VAL A 153 -7.896 -4.550 10.772 1.00 0.25 C ATOM 2466 O VAL A 153 -8.792 -3.757 10.514 1.00 0.28 O ATOM 2467 CB VAL A 153 -7.911 -6.808 9.628 1.00 0.23 C ATOM 2468 CG1 VAL A 153 -7.132 -7.752 8.726 1.00 0.23 C ATOM 2469 CG2 VAL A 153 -8.064 -7.415 11.015 1.00 0.28 C ATOM 0 H VAL A 153 -5.414 -6.339 10.019 1.00 0.22 H new ATOM 0 HA VAL A 153 -7.449 -4.945 8.691 1.00 0.22 H new ATOM 0 HB VAL A 153 -8.910 -6.674 9.213 1.00 0.23 H new ATOM 0 HG11 VAL A 153 -7.612 -8.730 8.722 1.00 0.23 H new ATOM 0 HG12 VAL A 153 -7.113 -7.353 7.712 1.00 0.23 H new ATOM 0 HG13 VAL A 153 -6.112 -7.850 9.097 1.00 0.23 H new ATOM 0 HG21 VAL A 153 -8.521 -8.401 10.932 1.00 0.28 H new ATOM 0 HG22 VAL A 153 -7.083 -7.507 11.482 1.00 0.28 H new ATOM 0 HG23 VAL A 153 -8.698 -6.772 11.626 1.00 0.28 H new ATOM 2479 N SER A 154 -7.384 -4.687 11.993 1.00 0.28 N ATOM 2480 CA SER A 154 -7.877 -3.913 13.121 1.00 0.33 C ATOM 2481 C SER A 154 -7.601 -2.432 12.901 1.00 0.32 C ATOM 2482 O SER A 154 -8.449 -1.581 13.179 1.00 0.35 O ATOM 2483 CB SER A 154 -7.220 -4.387 14.415 1.00 0.38 C ATOM 2484 OG SER A 154 -7.395 -5.784 14.592 1.00 1.05 O ATOM 0 H SER A 154 -6.626 -5.330 12.223 1.00 0.28 H new ATOM 0 HA SER A 154 -8.954 -4.060 13.203 1.00 0.33 H new ATOM 0 HB2 SER A 154 -6.156 -4.150 14.395 1.00 0.38 H new ATOM 0 HB3 SER A 154 -7.650 -3.853 15.262 1.00 0.38 H new ATOM 0 HG SER A 154 -6.620 -6.260 14.227 1.00 1.05 H new ATOM 2490 N PHE A 155 -6.417 -2.138 12.378 1.00 0.29 N ATOM 2491 CA PHE A 155 -6.033 -0.773 12.067 1.00 0.29 C ATOM 2492 C PHE A 155 -6.898 -0.239 10.928 1.00 0.28 C ATOM 2493 O PHE A 155 -7.185 0.953 10.865 1.00 0.30 O ATOM 2494 CB PHE A 155 -4.546 -0.712 11.703 1.00 0.29 C ATOM 2495 CG PHE A 155 -4.016 0.685 11.534 1.00 0.31 C ATOM 2496 CD1 PHE A 155 -3.872 1.525 12.626 1.00 0.41 C ATOM 2497 CD2 PHE A 155 -3.667 1.158 10.281 1.00 0.26 C ATOM 2498 CE1 PHE A 155 -3.388 2.811 12.470 1.00 0.45 C ATOM 2499 CE2 PHE A 155 -3.184 2.441 10.116 1.00 0.30 C ATOM 2500 CZ PHE A 155 -3.044 3.269 11.212 1.00 0.39 C ATOM 0 H PHE A 155 -5.704 -2.834 12.160 1.00 0.29 H new ATOM 0 HA PHE A 155 -6.192 -0.145 12.944 1.00 0.29 H new ATOM 0 HB2 PHE A 155 -3.971 -1.217 12.480 1.00 0.29 H new ATOM 0 HB3 PHE A 155 -4.386 -1.265 10.778 1.00 0.29 H new ATOM 0 HD1 PHE A 155 -4.141 1.172 13.610 1.00 0.41 H new ATOM 0 HD2 PHE A 155 -3.774 0.515 9.420 1.00 0.26 H new ATOM 0 HE1 PHE A 155 -3.279 3.456 13.329 1.00 0.45 H new ATOM 0 HE2 PHE A 155 -2.916 2.796 9.132 1.00 0.30 H new ATOM 0 HZ PHE A 155 -2.666 4.273 11.087 1.00 0.39 H new ATOM 2510 N ALA A 156 -7.323 -1.138 10.037 1.00 0.25 N ATOM 2511 CA ALA A 156 -8.244 -0.784 8.963 1.00 0.25 C ATOM 2512 C ALA A 156 -9.502 -0.138 9.532 1.00 0.28 C ATOM 2513 O ALA A 156 -9.962 0.894 9.040 1.00 0.28 O ATOM 2514 CB ALA A 156 -8.629 -2.008 8.139 1.00 0.25 C ATOM 0 H ALA A 156 -7.041 -2.118 10.041 1.00 0.25 H new ATOM 0 HA ALA A 156 -7.734 -0.074 8.312 1.00 0.25 H new ATOM 0 HB1 ALA A 156 -9.316 -1.712 7.347 1.00 0.25 H new ATOM 0 HB2 ALA A 156 -7.734 -2.446 7.698 1.00 0.25 H new ATOM 0 HB3 ALA A 156 -9.113 -2.743 8.783 1.00 0.25 H new ATOM 2520 N LYS A 157 -10.051 -0.745 10.584 1.00 0.33 N ATOM 2521 CA LYS A 157 -11.246 -0.206 11.228 1.00 0.39 C ATOM 2522 C LYS A 157 -10.909 1.052 12.023 1.00 0.41 C ATOM 2523 O LYS A 157 -11.784 1.869 12.305 1.00 0.44 O ATOM 2524 CB LYS A 157 -11.922 -1.237 12.143 1.00 0.50 C ATOM 2525 CG LYS A 157 -12.318 -2.529 11.440 1.00 0.78 C ATOM 2526 CD LYS A 157 -11.330 -3.637 11.748 1.00 0.70 C ATOM 2527 CE LYS A 157 -11.558 -4.876 10.896 1.00 0.55 C ATOM 2528 NZ LYS A 157 -12.836 -5.554 11.235 1.00 0.75 N ATOM 0 H LYS A 157 -9.691 -1.602 11.004 1.00 0.33 H new ATOM 0 HA LYS A 157 -11.949 0.048 10.434 1.00 0.39 H new ATOM 0 HB2 LYS A 157 -11.247 -1.476 12.965 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -12.812 -0.788 12.583 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -13.317 -2.829 11.757 1.00 0.78 H new ATOM 0 HG3 LYS A 157 -12.361 -2.364 10.363 1.00 0.78 H new ATOM 0 HD2 LYS A 157 -10.316 -3.270 11.586 1.00 0.70 H new ATOM 0 HD3 LYS A 157 -11.407 -3.906 12.802 1.00 0.70 H new ATOM 0 HE2 LYS A 157 -11.564 -4.596 9.843 1.00 0.55 H new ATOM 0 HE3 LYS A 157 -10.730 -5.571 11.037 1.00 0.55 H new ATOM 0 HZ1 LYS A 157 -12.734 -6.579 11.090 1.00 0.75 H new ATOM 0 HZ2 LYS A 157 -13.075 -5.367 12.230 1.00 0.75 H new ATOM 0 HZ3 LYS A 157 -13.594 -5.191 10.623 1.00 0.75 H new ATOM 2542 N SER A 158 -9.638 1.205 12.383 1.00 0.48 N ATOM 2543 CA SER A 158 -9.179 2.391 13.096 1.00 0.58 C ATOM 2544 C SER A 158 -9.182 3.610 12.172 1.00 0.49 C ATOM 2545 O SER A 158 -9.331 4.746 12.626 1.00 0.55 O ATOM 2546 CB SER A 158 -7.783 2.156 13.673 1.00 0.81 C ATOM 2547 OG SER A 158 -7.769 1.017 14.520 1.00 1.39 O ATOM 0 H SER A 158 -8.907 0.520 12.192 1.00 0.48 H new ATOM 0 HA SER A 158 -9.865 2.587 13.920 1.00 0.58 H new ATOM 0 HB2 SER A 158 -7.068 2.019 12.862 1.00 0.81 H new ATOM 0 HB3 SER A 158 -7.464 3.035 14.234 1.00 0.81 H new ATOM 0 HG SER A 158 -8.003 0.220 14.000 1.00 1.39 H new ATOM 2553 N LEU A 159 -9.017 3.373 10.871 1.00 0.43 N ATOM 2554 CA LEU A 159 -9.143 4.443 9.886 1.00 0.46 C ATOM 2555 C LEU A 159 -10.613 4.808 9.689 1.00 0.38 C ATOM 2556 O LEU A 159 -10.934 5.875 9.170 1.00 0.55 O ATOM 2557 CB LEU A 159 -8.530 4.048 8.532 1.00 0.61 C ATOM 2558 CG LEU A 159 -7.006 4.231 8.384 1.00 0.30 C ATOM 2559 CD1 LEU A 159 -6.528 5.498 9.075 1.00 0.34 C ATOM 2560 CD2 LEU A 159 -6.248 3.026 8.898 1.00 0.76 C ATOM 0 H LEU A 159 -8.798 2.457 10.478 1.00 0.43 H new ATOM 0 HA LEU A 159 -8.596 5.304 10.270 1.00 0.46 H new ATOM 0 HB2 LEU A 159 -8.767 3.001 8.343 1.00 0.61 H new ATOM 0 HB3 LEU A 159 -9.020 4.632 7.753 1.00 0.61 H new ATOM 0 HG LEU A 159 -6.799 4.328 7.318 1.00 0.30 H new ATOM 0 HD11 LEU A 159 -5.449 5.595 8.951 1.00 0.34 H new ATOM 0 HD12 LEU A 159 -7.024 6.362 8.633 1.00 0.34 H new ATOM 0 HD13 LEU A 159 -6.768 5.446 10.137 1.00 0.34 H new ATOM 0 HD21 LEU A 159 -5.177 3.191 8.777 1.00 0.76 H new ATOM 0 HD22 LEU A 159 -6.475 2.876 9.953 1.00 0.76 H new ATOM 0 HD23 LEU A 159 -6.545 2.142 8.334 1.00 0.76 H new ATOM 2572 N GLY A 160 -11.499 3.923 10.126 1.00 0.31 N ATOM 2573 CA GLY A 160 -12.920 4.147 9.956 1.00 0.41 C ATOM 2574 C GLY A 160 -13.552 3.097 9.068 1.00 0.35 C ATOM 2575 O GLY A 160 -14.776 2.994 8.969 1.00 0.42 O ATOM 0 H GLY A 160 -11.257 3.051 10.597 1.00 0.31 H new ATOM 0 HA2 GLY A 160 -13.408 4.141 10.931 1.00 0.41 H new ATOM 0 HA3 GLY A 160 -13.083 5.134 9.524 1.00 0.41 H new ATOM 2579 N LEU A 161 -12.710 2.305 8.428 1.00 0.38 N ATOM 2580 CA LEU A 161 -13.171 1.266 7.524 1.00 0.35 C ATOM 2581 C LEU A 161 -13.655 0.042 8.283 1.00 0.37 C ATOM 2582 O LEU A 161 -13.764 0.047 9.505 1.00 0.58 O ATOM 2583 CB LEU A 161 -12.052 0.887 6.562 1.00 0.32 C ATOM 2584 CG LEU A 161 -12.170 1.504 5.171 1.00 0.33 C ATOM 2585 CD1 LEU A 161 -10.811 1.982 4.678 1.00 0.39 C ATOM 2586 CD2 LEU A 161 -12.765 0.484 4.213 1.00 0.35 C ATOM 0 H LEU A 161 -11.696 2.363 8.519 1.00 0.38 H new ATOM 0 HA LEU A 161 -14.017 1.657 6.958 1.00 0.35 H new ATOM 0 HB2 LEU A 161 -11.099 1.187 6.998 1.00 0.32 H new ATOM 0 HB3 LEU A 161 -12.029 -0.198 6.462 1.00 0.32 H new ATOM 0 HG LEU A 161 -12.829 2.371 5.219 1.00 0.33 H new ATOM 0 HD11 LEU A 161 -10.917 2.418 3.685 1.00 0.39 H new ATOM 0 HD12 LEU A 161 -10.418 2.732 5.364 1.00 0.39 H new ATOM 0 HD13 LEU A 161 -10.123 1.138 4.632 1.00 0.39 H new ATOM 0 HD21 LEU A 161 -12.850 0.924 3.219 1.00 0.35 H new ATOM 0 HD22 LEU A 161 -12.119 -0.393 4.168 1.00 0.35 H new ATOM 0 HD23 LEU A 161 -13.754 0.188 4.564 1.00 0.35 H new ATOM 2598 N LYS A 162 -13.983 -0.993 7.531 1.00 0.40 N ATOM 2599 CA LYS A 162 -14.609 -2.183 8.075 1.00 0.42 C ATOM 2600 C LYS A 162 -14.178 -3.410 7.290 1.00 0.36 C ATOM 2601 O LYS A 162 -13.753 -3.291 6.141 1.00 0.35 O ATOM 2602 CB LYS A 162 -16.146 -2.031 8.070 1.00 0.52 C ATOM 2603 CG LYS A 162 -16.789 -1.810 6.694 1.00 0.86 C ATOM 2604 CD LYS A 162 -16.280 -0.558 5.980 1.00 0.93 C ATOM 2605 CE LYS A 162 -16.888 0.748 6.498 1.00 0.77 C ATOM 2606 NZ LYS A 162 -16.807 0.911 7.979 1.00 1.46 N ATOM 0 H LYS A 162 -13.822 -1.032 6.524 1.00 0.40 H new ATOM 0 HA LYS A 162 -14.286 -2.311 9.108 1.00 0.42 H new ATOM 0 HB2 LYS A 162 -16.582 -2.925 8.515 1.00 0.52 H new ATOM 0 HB3 LYS A 162 -16.412 -1.192 8.714 1.00 0.52 H new ATOM 0 HG2 LYS A 162 -16.596 -2.681 6.067 1.00 0.86 H new ATOM 0 HG3 LYS A 162 -17.870 -1.737 6.814 1.00 0.86 H new ATOM 0 HD2 LYS A 162 -15.196 -0.508 6.085 1.00 0.93 H new ATOM 0 HD3 LYS A 162 -16.493 -0.648 4.915 1.00 0.93 H new ATOM 0 HE2 LYS A 162 -16.380 1.587 6.022 1.00 0.77 H new ATOM 0 HE3 LYS A 162 -17.934 0.795 6.194 1.00 0.77 H new ATOM 0 HZ1 LYS A 162 -17.031 1.894 8.233 1.00 1.46 H new ATOM 0 HZ2 LYS A 162 -17.488 0.272 8.436 1.00 1.46 H new ATOM 0 HZ3 LYS A 162 -15.845 0.681 8.302 1.00 1.46 H new ATOM 2620 N ASP A 163 -14.287 -4.577 7.925 1.00 0.40 N ATOM 2621 CA ASP A 163 -13.917 -5.866 7.319 1.00 0.41 C ATOM 2622 C ASP A 163 -14.607 -6.062 5.977 1.00 0.39 C ATOM 2623 O ASP A 163 -14.120 -6.786 5.106 1.00 0.42 O ATOM 2624 CB ASP A 163 -14.292 -7.013 8.259 1.00 0.52 C ATOM 2625 CG ASP A 163 -13.898 -8.375 7.718 1.00 0.81 C ATOM 2626 OD1 ASP A 163 -12.729 -8.771 7.904 1.00 0.91 O ATOM 2627 OD2 ASP A 163 -14.760 -9.067 7.132 1.00 1.81 O ATOM 0 H ASP A 163 -14.636 -4.660 8.880 1.00 0.40 H new ATOM 0 HA ASP A 163 -12.839 -5.863 7.155 1.00 0.41 H new ATOM 0 HB2 ASP A 163 -13.809 -6.858 9.224 1.00 0.52 H new ATOM 0 HB3 ASP A 163 -15.368 -6.995 8.434 1.00 0.52 H new ATOM 2632 N ASN A 164 -15.730 -5.379 5.814 1.00 0.39 N ATOM 2633 CA ASN A 164 -16.507 -5.427 4.578 1.00 0.43 C ATOM 2634 C ASN A 164 -15.653 -4.981 3.395 1.00 0.38 C ATOM 2635 O ASN A 164 -15.914 -5.352 2.252 1.00 0.47 O ATOM 2636 CB ASN A 164 -17.742 -4.524 4.684 1.00 0.52 C ATOM 2637 CG ASN A 164 -18.675 -4.901 5.825 1.00 1.34 C ATOM 2638 OD1 ASN A 164 -18.253 -5.442 6.847 1.00 2.34 O ATOM 2639 ND2 ASN A 164 -19.950 -4.594 5.667 1.00 1.68 N ATOM 0 H ASN A 164 -16.131 -4.776 6.532 1.00 0.39 H new ATOM 0 HA ASN A 164 -16.829 -6.456 4.420 1.00 0.43 H new ATOM 0 HB2 ASN A 164 -17.417 -3.492 4.817 1.00 0.52 H new ATOM 0 HB3 ASN A 164 -18.294 -4.566 3.745 1.00 0.52 H new ATOM 0 HD21 ASN A 164 -20.621 -4.805 6.406 1.00 1.68 H new ATOM 0 HD22 ASN A 164 -20.264 -4.146 4.806 1.00 1.68 H new ATOM 2646 N ASN A 165 -14.623 -4.197 3.689 1.00 0.32 N ATOM 2647 CA ASN A 165 -13.717 -3.688 2.671 1.00 0.31 C ATOM 2648 C ASN A 165 -12.274 -4.078 2.975 1.00 0.26 C ATOM 2649 O ASN A 165 -11.342 -3.357 2.637 1.00 0.27 O ATOM 2650 CB ASN A 165 -13.849 -2.168 2.565 1.00 0.35 C ATOM 2651 CG ASN A 165 -14.844 -1.745 1.503 1.00 0.53 C ATOM 2652 OD1 ASN A 165 -14.365 -1.590 0.279 1.00 1.40 O flip ATOM 2653 ND2 ASN A 165 -16.027 -1.565 1.782 1.00 0.61 N flip ATOM 0 H ASN A 165 -14.394 -3.898 4.637 1.00 0.32 H new ATOM 0 HA ASN A 165 -13.990 -4.135 1.715 1.00 0.31 H new ATOM 0 HB2 ASN A 165 -14.158 -1.765 3.529 1.00 0.35 H new ATOM 0 HB3 ASN A 165 -12.874 -1.737 2.337 1.00 0.35 H new ATOM 0 HD21 ASN A 165 -16.351 -1.697 2.740 1.00 0.61 H new ATOM 0 HD22 ASN A 165 -16.685 -1.284 1.055 1.00 0.61 H new ATOM 2660 N ILE A 166 -12.094 -5.222 3.623 1.00 0.25 N ATOM 2661 CA ILE A 166 -10.756 -5.725 3.926 1.00 0.22 C ATOM 2662 C ILE A 166 -10.570 -7.114 3.321 1.00 0.24 C ATOM 2663 O ILE A 166 -11.397 -7.997 3.529 1.00 0.33 O ATOM 2664 CB ILE A 166 -10.514 -5.794 5.458 1.00 0.23 C ATOM 2665 CG1 ILE A 166 -10.855 -4.453 6.112 1.00 0.25 C ATOM 2666 CG2 ILE A 166 -9.075 -6.195 5.774 1.00 0.24 C ATOM 2667 CD1 ILE A 166 -10.724 -4.457 7.621 1.00 0.26 C ATOM 0 H ILE A 166 -12.854 -5.819 3.949 1.00 0.25 H new ATOM 0 HA ILE A 166 -10.033 -5.034 3.492 1.00 0.22 H new ATOM 0 HB ILE A 166 -11.171 -6.561 5.869 1.00 0.23 H new ATOM 0 HG12 ILE A 166 -10.201 -3.683 5.702 1.00 0.25 H new ATOM 0 HG13 ILE A 166 -11.876 -4.179 5.846 1.00 0.25 H new ATOM 0 HG21 ILE A 166 -8.937 -6.234 6.855 1.00 0.24 H new ATOM 0 HG22 ILE A 166 -8.868 -7.176 5.346 1.00 0.24 H new ATOM 0 HG23 ILE A 166 -8.391 -5.461 5.348 1.00 0.24 H new ATOM 0 HD11 ILE A 166 -10.982 -3.473 8.011 1.00 0.26 H new ATOM 0 HD12 ILE A 166 -11.398 -5.203 8.043 1.00 0.26 H new ATOM 0 HD13 ILE A 166 -9.697 -4.699 7.896 1.00 0.26 H new ATOM 2679 N VAL A 167 -9.496 -7.293 2.565 1.00 0.25 N ATOM 2680 CA VAL A 167 -9.197 -8.573 1.933 1.00 0.26 C ATOM 2681 C VAL A 167 -7.812 -9.059 2.344 1.00 0.26 C ATOM 2682 O VAL A 167 -7.074 -8.366 3.045 1.00 0.31 O ATOM 2683 CB VAL A 167 -9.257 -8.495 0.383 1.00 0.28 C ATOM 2684 CG1 VAL A 167 -10.661 -8.164 -0.108 1.00 0.57 C ATOM 2685 CG2 VAL A 167 -8.235 -7.500 -0.168 1.00 0.72 C ATOM 0 H VAL A 167 -8.811 -6.562 2.373 1.00 0.25 H new ATOM 0 HA VAL A 167 -9.961 -9.273 2.272 1.00 0.26 H new ATOM 0 HB VAL A 167 -8.998 -9.483 0.002 1.00 0.28 H new ATOM 0 HG11 VAL A 167 -10.664 -8.118 -1.197 1.00 0.57 H new ATOM 0 HG12 VAL A 167 -11.354 -8.937 0.224 1.00 0.57 H new ATOM 0 HG13 VAL A 167 -10.970 -7.200 0.297 1.00 0.57 H new ATOM 0 HG21 VAL A 167 -8.305 -7.471 -1.255 1.00 0.72 H new ATOM 0 HG22 VAL A 167 -8.439 -6.508 0.235 1.00 0.72 H new ATOM 0 HG23 VAL A 167 -7.231 -7.811 0.123 1.00 0.72 H new ATOM 2695 N PHE A 168 -7.463 -10.252 1.912 1.00 0.26 N ATOM 2696 CA PHE A 168 -6.142 -10.790 2.161 1.00 0.28 C ATOM 2697 C PHE A 168 -5.502 -11.151 0.834 1.00 0.30 C ATOM 2698 O PHE A 168 -6.167 -11.675 -0.058 1.00 0.42 O ATOM 2699 CB PHE A 168 -6.218 -12.003 3.093 1.00 0.33 C ATOM 2700 CG PHE A 168 -6.805 -11.677 4.440 1.00 0.34 C ATOM 2701 CD1 PHE A 168 -6.121 -10.861 5.332 1.00 0.33 C ATOM 2702 CD2 PHE A 168 -8.037 -12.187 4.814 1.00 0.41 C ATOM 2703 CE1 PHE A 168 -6.662 -10.560 6.572 1.00 0.35 C ATOM 2704 CE2 PHE A 168 -8.581 -11.888 6.049 1.00 0.45 C ATOM 2705 CZ PHE A 168 -7.892 -11.076 6.929 1.00 0.40 C ATOM 0 H PHE A 168 -8.079 -10.871 1.384 1.00 0.26 H new ATOM 0 HA PHE A 168 -5.527 -10.041 2.660 1.00 0.28 H new ATOM 0 HB2 PHE A 168 -6.819 -12.780 2.620 1.00 0.33 H new ATOM 0 HB3 PHE A 168 -5.217 -12.412 3.229 1.00 0.33 H new ATOM 0 HD1 PHE A 168 -5.158 -10.457 5.057 1.00 0.33 H new ATOM 0 HD2 PHE A 168 -8.579 -12.826 4.133 1.00 0.41 H new ATOM 0 HE1 PHE A 168 -6.123 -9.923 7.258 1.00 0.35 H new ATOM 0 HE2 PHE A 168 -9.545 -12.289 6.326 1.00 0.45 H new ATOM 0 HZ PHE A 168 -8.315 -10.845 7.895 1.00 0.40 H new ATOM 2715 N SER A 169 -4.223 -10.839 0.696 1.00 0.48 N ATOM 2716 CA SER A 169 -3.535 -10.993 -0.572 1.00 0.63 C ATOM 2717 C SER A 169 -3.515 -12.447 -1.027 1.00 0.50 C ATOM 2718 O SER A 169 -2.934 -13.316 -0.377 1.00 0.66 O ATOM 2719 CB SER A 169 -2.118 -10.447 -0.460 1.00 1.01 C ATOM 2720 OG SER A 169 -1.421 -11.075 0.594 1.00 1.75 O ATOM 0 H SER A 169 -3.640 -10.476 1.451 1.00 0.48 H new ATOM 0 HA SER A 169 -4.080 -10.425 -1.325 1.00 0.63 H new ATOM 0 HB2 SER A 169 -1.587 -10.606 -1.399 1.00 1.01 H new ATOM 0 HB3 SER A 169 -2.150 -9.371 -0.290 1.00 1.01 H new ATOM 0 HG SER A 169 -0.457 -10.951 0.468 1.00 1.75 H new ATOM 2726 N VAL A 170 -4.180 -12.696 -2.137 1.00 0.46 N ATOM 2727 CA VAL A 170 -4.235 -14.018 -2.723 1.00 0.41 C ATOM 2728 C VAL A 170 -2.935 -14.353 -3.433 1.00 0.41 C ATOM 2729 O VAL A 170 -2.439 -13.565 -4.243 1.00 0.43 O ATOM 2730 CB VAL A 170 -5.405 -14.105 -3.719 1.00 0.47 C ATOM 2731 CG1 VAL A 170 -5.429 -15.438 -4.446 1.00 0.55 C ATOM 2732 CG2 VAL A 170 -6.709 -13.844 -2.998 1.00 0.57 C ATOM 0 H VAL A 170 -4.697 -11.987 -2.657 1.00 0.46 H new ATOM 0 HA VAL A 170 -4.386 -14.739 -1.919 1.00 0.41 H new ATOM 0 HB VAL A 170 -5.266 -13.338 -4.481 1.00 0.47 H new ATOM 0 HG11 VAL A 170 -6.270 -15.459 -5.140 1.00 0.55 H new ATOM 0 HG12 VAL A 170 -4.499 -15.568 -4.999 1.00 0.55 H new ATOM 0 HG13 VAL A 170 -5.536 -16.246 -3.722 1.00 0.55 H new ATOM 0 HG21 VAL A 170 -7.535 -13.906 -3.706 1.00 0.57 H new ATOM 0 HG22 VAL A 170 -6.846 -14.588 -2.214 1.00 0.57 H new ATOM 0 HG23 VAL A 170 -6.686 -12.849 -2.554 1.00 0.57 H new ATOM 2742 N PRO A 171 -2.346 -15.508 -3.110 1.00 0.47 N ATOM 2743 CA PRO A 171 -1.206 -16.035 -3.846 1.00 0.54 C ATOM 2744 C PRO A 171 -1.640 -16.520 -5.225 1.00 0.54 C ATOM 2745 O PRO A 171 -1.910 -17.706 -5.429 1.00 0.62 O ATOM 2746 CB PRO A 171 -0.711 -17.196 -2.979 1.00 0.66 C ATOM 2747 CG PRO A 171 -1.889 -17.605 -2.163 1.00 0.83 C ATOM 2748 CD PRO A 171 -2.741 -16.377 -1.987 1.00 0.57 C ATOM 0 HA PRO A 171 -0.430 -15.290 -4.021 1.00 0.54 H new ATOM 0 HB2 PRO A 171 -0.352 -18.021 -3.594 1.00 0.66 H new ATOM 0 HB3 PRO A 171 0.119 -16.887 -2.344 1.00 0.66 H new ATOM 0 HG2 PRO A 171 -2.449 -18.396 -2.661 1.00 0.83 H new ATOM 0 HG3 PRO A 171 -1.573 -17.998 -1.197 1.00 0.83 H new ATOM 0 HD2 PRO A 171 -3.803 -16.619 -2.023 1.00 0.57 H new ATOM 0 HD3 PRO A 171 -2.556 -15.897 -1.026 1.00 0.57 H new ATOM 2756 N THR A 172 -1.756 -15.577 -6.151 1.00 0.65 N ATOM 2757 CA THR A 172 -2.162 -15.880 -7.512 1.00 0.78 C ATOM 2758 C THR A 172 -1.058 -16.656 -8.228 1.00 0.73 C ATOM 2759 O THR A 172 0.087 -16.681 -7.770 1.00 0.72 O ATOM 2760 CB THR A 172 -2.486 -14.586 -8.294 1.00 1.07 C ATOM 2761 OG1 THR A 172 -2.934 -14.899 -9.620 1.00 1.78 O ATOM 2762 CG2 THR A 172 -1.277 -13.663 -8.370 1.00 0.81 C ATOM 0 H THR A 172 -1.572 -14.588 -5.979 1.00 0.65 H new ATOM 0 HA THR A 172 -3.063 -16.491 -7.470 1.00 0.78 H new ATOM 0 HB THR A 172 -3.280 -14.070 -7.755 1.00 1.07 H new ATOM 0 HG1 THR A 172 -3.137 -14.070 -10.101 1.00 1.78 H new ATOM 0 HG21 THR A 172 -1.540 -12.763 -8.926 1.00 0.81 H new ATOM 0 HG22 THR A 172 -0.965 -13.388 -7.362 1.00 0.81 H new ATOM 0 HG23 THR A 172 -0.459 -14.176 -8.876 1.00 0.81 H new ATOM 2770 N ASP A 173 -1.398 -17.295 -9.344 1.00 0.75 N ATOM 2771 CA ASP A 173 -0.394 -17.985 -10.141 1.00 0.80 C ATOM 2772 C ASP A 173 0.407 -16.948 -10.906 1.00 0.77 C ATOM 2773 O ASP A 173 0.096 -16.604 -12.047 1.00 0.86 O ATOM 2774 CB ASP A 173 -1.035 -18.982 -11.105 1.00 0.99 C ATOM 2775 CG ASP A 173 0.002 -19.804 -11.852 1.00 1.34 C ATOM 2776 OD1 ASP A 173 0.807 -20.496 -11.191 1.00 1.94 O ATOM 2777 OD2 ASP A 173 0.023 -19.765 -13.100 1.00 1.55 O ATOM 0 H ASP A 173 -2.348 -17.348 -9.711 1.00 0.75 H new ATOM 0 HA ASP A 173 0.260 -18.553 -9.480 1.00 0.80 H new ATOM 0 HB2 ASP A 173 -1.694 -19.649 -10.550 1.00 0.99 H new ATOM 0 HB3 ASP A 173 -1.656 -18.444 -11.822 1.00 0.99 H new ATOM 2782 N GLN A 174 1.431 -16.445 -10.248 1.00 0.78 N ATOM 2783 CA GLN A 174 2.204 -15.332 -10.752 1.00 0.94 C ATOM 2784 C GLN A 174 3.589 -15.344 -10.116 1.00 0.89 C ATOM 2785 O GLN A 174 3.733 -15.664 -8.937 1.00 1.21 O ATOM 2786 CB GLN A 174 1.421 -14.041 -10.469 1.00 1.17 C ATOM 2787 CG GLN A 174 2.158 -12.735 -10.681 1.00 1.69 C ATOM 2788 CD GLN A 174 2.808 -12.234 -9.416 1.00 2.98 C ATOM 2789 OE1 GLN A 174 3.813 -11.401 -9.562 1.00 3.60 O flip ATOM 2790 NE2 GLN A 174 2.377 -12.557 -8.315 1.00 3.76 N flip ATOM 0 H GLN A 174 1.750 -16.799 -9.346 1.00 0.78 H new ATOM 0 HA GLN A 174 2.358 -15.403 -11.829 1.00 0.94 H new ATOM 0 HB2 GLN A 174 0.533 -14.037 -11.101 1.00 1.17 H new ATOM 0 HB3 GLN A 174 1.076 -14.073 -9.436 1.00 1.17 H new ATOM 0 HG2 GLN A 174 2.919 -12.870 -11.449 1.00 1.69 H new ATOM 0 HG3 GLN A 174 1.461 -11.983 -11.052 1.00 1.69 H new ATOM 0 HE21 GLN A 174 1.594 -13.207 -8.244 1.00 3.76 H new ATOM 0 HE22 GLN A 174 2.801 -12.176 -7.469 1.00 3.76 H new ATOM 2799 N CYS A 175 4.593 -15.023 -10.914 1.00 0.79 N ATOM 2800 CA CYS A 175 5.989 -15.265 -10.559 1.00 0.85 C ATOM 2801 C CYS A 175 6.384 -14.563 -9.262 1.00 1.02 C ATOM 2802 O CYS A 175 6.638 -15.220 -8.252 1.00 2.06 O ATOM 2803 CB CYS A 175 6.885 -14.824 -11.713 1.00 0.90 C ATOM 2804 SG CYS A 175 6.324 -15.434 -13.339 1.00 1.07 S ATOM 0 H CYS A 175 4.468 -14.587 -11.828 1.00 0.79 H new ATOM 0 HA CYS A 175 6.117 -16.333 -10.384 1.00 0.85 H new ATOM 0 HB2 CYS A 175 6.926 -13.735 -11.736 1.00 0.90 H new ATOM 0 HB3 CYS A 175 7.900 -15.177 -11.531 1.00 0.90 H new ATOM 2809 N ILE A 176 6.453 -13.230 -9.315 1.00 0.60 N ATOM 2810 CA ILE A 176 6.653 -12.381 -8.135 1.00 0.56 C ATOM 2811 C ILE A 176 8.087 -12.470 -7.578 1.00 0.80 C ATOM 2812 O ILE A 176 8.452 -11.741 -6.648 1.00 1.52 O ATOM 2813 CB ILE A 176 5.587 -12.699 -7.035 1.00 0.51 C ATOM 2814 CG1 ILE A 176 4.881 -11.410 -6.588 1.00 0.46 C ATOM 2815 CG2 ILE A 176 6.192 -13.431 -5.844 1.00 0.81 C ATOM 2816 CD1 ILE A 176 3.849 -11.602 -5.469 1.00 0.65 C ATOM 0 H ILE A 176 6.371 -12.704 -10.185 1.00 0.60 H new ATOM 0 HA ILE A 176 6.514 -11.348 -8.455 1.00 0.56 H new ATOM 0 HB ILE A 176 4.849 -13.369 -7.476 1.00 0.51 H new ATOM 0 HG12 ILE A 176 5.634 -10.697 -6.252 1.00 0.46 H new ATOM 0 HG13 ILE A 176 4.384 -10.966 -7.450 1.00 0.46 H new ATOM 0 HG21 ILE A 176 5.415 -13.630 -5.106 1.00 0.81 H new ATOM 0 HG22 ILE A 176 6.626 -14.374 -6.178 1.00 0.81 H new ATOM 0 HG23 ILE A 176 6.969 -12.813 -5.394 1.00 0.81 H new ATOM 0 HD11 ILE A 176 3.401 -10.640 -5.218 1.00 0.65 H new ATOM 0 HD12 ILE A 176 3.071 -12.288 -5.805 1.00 0.65 H new ATOM 0 HD13 ILE A 176 4.340 -12.015 -4.588 1.00 0.65 H new ATOM 2828 N ASP A 177 8.909 -13.315 -8.191 1.00 0.96 N ATOM 2829 CA ASP A 177 10.267 -13.576 -7.716 1.00 1.17 C ATOM 2830 C ASP A 177 11.245 -12.468 -8.125 1.00 1.20 C ATOM 2831 O ASP A 177 12.221 -12.707 -8.837 1.00 1.77 O ATOM 2832 CB ASP A 177 10.755 -14.934 -8.240 1.00 1.56 C ATOM 2833 CG ASP A 177 10.692 -15.045 -9.753 1.00 2.20 C ATOM 2834 OD1 ASP A 177 9.581 -15.214 -10.301 1.00 2.72 O ATOM 2835 OD2 ASP A 177 11.754 -14.966 -10.403 1.00 2.64 O ATOM 0 H ASP A 177 8.656 -13.838 -9.029 1.00 0.96 H new ATOM 0 HA ASP A 177 10.236 -13.595 -6.627 1.00 1.17 H new ATOM 0 HB2 ASP A 177 11.782 -15.096 -7.912 1.00 1.56 H new ATOM 0 HB3 ASP A 177 10.151 -15.726 -7.798 1.00 1.56 H new ATOM 2840 N ASN A 178 10.989 -11.259 -7.655 1.00 1.25 N ATOM 2841 CA ASN A 178 11.875 -10.134 -7.925 1.00 1.44 C ATOM 2842 C ASN A 178 12.968 -10.077 -6.870 1.00 1.68 C ATOM 2843 O ASN A 178 14.160 -10.099 -7.237 1.00 2.24 O ATOM 2844 CB ASN A 178 11.097 -8.815 -7.938 1.00 1.56 C ATOM 2845 CG ASN A 178 11.882 -7.656 -8.543 1.00 2.49 C ATOM 2846 OD1 ASN A 178 11.297 -6.732 -9.098 1.00 3.26 O ATOM 2847 ND2 ASN A 178 13.205 -7.696 -8.460 1.00 3.01 N ATOM 2848 OXT ASN A 178 12.630 -10.006 -5.673 1.00 1.94 O ATOM 0 H ASN A 178 10.175 -11.029 -7.084 1.00 1.25 H new ATOM 0 HA ASN A 178 12.323 -10.277 -8.908 1.00 1.44 H new ATOM 0 HB2 ASN A 178 10.173 -8.952 -8.501 1.00 1.56 H new ATOM 0 HB3 ASN A 178 10.813 -8.559 -6.917 1.00 1.56 H new ATOM 0 HD21 ASN A 178 13.764 -6.945 -8.864 1.00 3.01 H new ATOM 0 HD22 ASN A 178 13.663 -8.478 -7.992 1.00 3.01 H new TER 2855 ASN A 178