USER MOD reduce.3.24.130724 H: found=0, std=0, add=1172, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1172 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 23 MET CE :methyl 151:sc= -2.44 (180deg=-3.15!) USER MOD Set 1.2: A 42 HIS : no HD1:sc= -1.48! C(o=-3.9!,f=-6.5!) USER MOD Set 2.1: A 16 GLN : amide:sc= 0.509 K(o=1.1,f=-4.4!) USER MOD Set 2.2: A 49 LYS NZ :NH3+ -117:sc= 0.628 (180deg=0) USER MOD Set 3.1: A 4 LYS NZ :NH3+ 172:sc= 0.444 (180deg=-0.722) USER MOD Set 3.2: B 26 SER OG : rot 120:sc= 0.874 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.151 (180deg=-0.715) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.1) USER MOD Single : A -1 GLY N :NH3+ -114:sc= 0.124 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 69:sc= 0.455 USER MOD Single : A 25 MET CE :methyl -146:sc= -1.14 (180deg=-1.73) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.577 K(o=-0.58,f=-5.1!) USER MOD Single : A 32 ASN : amide:sc= -0.288 K(o=-0.29,f=-4.9!) USER MOD Single : A 33 ASN : amide:sc= -0.93 K(o=-0.93,f=-7.9!) USER MOD Single : A 40 ASN : amide:sc= 0.817 K(o=0.82,f=0) USER MOD Single : A 44 CYS SG : rot 170:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -75:sc= -0.399 USER MOD Single : A 55 MET CE :methyl 140:sc= -0.228 (180deg=-1.59) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.682 USER MOD Single : A 58 SER OG : rot 67:sc= 0.612 USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 1.2 (180deg=0.922) USER MOD Single : A 64 SER OG : rot 160:sc= -0.768 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.053 USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= 1.19 (180deg=0.806) USER MOD Single : B 1 MET CE :methyl 142:sc= -0.112 (180deg=-0.645) USER MOD Single : B 3 SER OG : rot -159:sc= 0.433 USER MOD Single : B 4 LYS NZ :NH3+ -128:sc= -0.0434 (180deg=-0.373) USER MOD Single : B 9 GLN : amide:sc= -0.195 K(o=-0.2,f=-1.7!) USER MOD Single : B -1 GLY N :NH3+ -128:sc= 0.0781 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : B 17 THR OG1 : rot 71:sc= 1.2 USER MOD Single : B 23 MET CE :methyl 173:sc=-0.00411 (180deg=-0.0485) USER MOD Single : B 25 MET CE :methyl 167:sc= -1.14 (180deg=-1.37!) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 GLN : amide:sc= -0.0577 X(o=-0.058,f=0.12) USER MOD Single : B 32 ASN : amide:sc= -0.32 K(o=-0.32,f=-7.5!) USER MOD Single : B 33 ASN : amide:sc= -0.0372 X(o=-0.037,f=-0.32) USER MOD Single : B 40 ASN : amide:sc= -0.0119 K(o=-0.012,f=-0.98) USER MOD Single : B 42 HIS : no HD1:sc= -0.355 K(o=-0.35,f=-3.4!) USER MOD Single : B 44 CYS SG : rot 180:sc= 0 USER MOD Single : B 46 ASN : amide:sc= -0.0388 K(o=-0.039,f=-2!) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ -124:sc= 0.487 (180deg=0) USER MOD Single : B 51 THR OG1 : rot -25:sc= 0.891 USER MOD Single : B 55 MET CE :methyl 138:sc= -2.33 (180deg=-4.18!) USER MOD Single : B 57 THR OG1 : rot 52:sc= -1.1! USER MOD Single : B 58 SER OG : rot 61:sc= 0.201 USER MOD Single : B 62 LYS NZ :NH3+ 172:sc= 1.16 (180deg=0.62) USER MOD Single : B 64 SER OG : rot 180:sc= -0.218 USER MOD Single : B 68 TYR OH : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ 142:sc= 1.14 (180deg=1.07) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -21.929 -21.321 6.068 1.00 4.91 N ATOM 2 CA GLY A -1 -20.668 -20.689 5.618 1.00 4.20 C ATOM 3 C GLY A -1 -20.705 -19.190 5.792 1.00 3.49 C ATOM 4 O GLY A -1 -21.737 -18.630 6.164 1.00 3.95 O ATOM 0 H1 GLY A -1 -21.742 -21.915 6.901 1.00 4.91 H new ATOM 0 H2 GLY A -1 -22.618 -20.583 6.317 1.00 4.91 H new ATOM 0 H3 GLY A -1 -22.315 -21.910 5.302 1.00 4.91 H new ATOM 0 HA2 GLY A -1 -19.832 -21.101 6.183 1.00 4.20 H new ATOM 0 HA3 GLY A -1 -20.493 -20.930 4.569 1.00 4.20 H new ATOM 10 N ALA A 0 -19.585 -18.533 5.531 1.00 2.77 N ATOM 11 CA ALA A 0 -19.502 -17.087 5.668 1.00 2.34 C ATOM 12 C ALA A 0 -18.513 -16.503 4.670 1.00 1.88 C ATOM 13 O ALA A 0 -17.305 -16.492 4.909 1.00 2.13 O ATOM 14 CB ALA A 0 -19.105 -16.712 7.087 1.00 2.62 C ATOM 0 H ALA A 0 -18.721 -18.979 5.223 1.00 2.77 H new ATOM 0 HA ALA A 0 -20.486 -16.668 5.457 1.00 2.34 H new ATOM 0 HB1 ALA A 0 -19.047 -15.627 7.174 1.00 2.62 H new ATOM 0 HB2 ALA A 0 -19.850 -17.093 7.786 1.00 2.62 H new ATOM 0 HB3 ALA A 0 -18.133 -17.147 7.320 1.00 2.62 H new ATOM 20 N MET A 1 -19.026 -16.031 3.546 1.00 1.70 N ATOM 21 CA MET A 1 -18.186 -15.401 2.538 1.00 1.40 C ATOM 22 C MET A 1 -17.809 -13.993 2.985 1.00 1.10 C ATOM 23 O MET A 1 -18.635 -13.272 3.550 1.00 1.16 O ATOM 24 CB MET A 1 -18.898 -15.351 1.181 1.00 1.82 C ATOM 25 CG MET A 1 -20.162 -14.504 1.175 1.00 2.44 C ATOM 26 SD MET A 1 -20.956 -14.443 -0.444 1.00 2.97 S ATOM 27 CE MET A 1 -21.296 -16.181 -0.724 1.00 3.26 C ATOM 0 H MET A 1 -20.017 -16.071 3.308 1.00 1.70 H new ATOM 0 HA MET A 1 -17.281 -15.997 2.423 1.00 1.40 H new ATOM 0 HB2 MET A 1 -18.207 -14.959 0.434 1.00 1.82 H new ATOM 0 HB3 MET A 1 -19.152 -16.367 0.878 1.00 1.82 H new ATOM 0 HG2 MET A 1 -20.866 -14.905 1.905 1.00 2.44 H new ATOM 0 HG3 MET A 1 -19.916 -13.491 1.492 1.00 2.44 H new ATOM 0 HE1 MET A 1 -22.088 -16.282 -1.466 1.00 3.26 H new ATOM 0 HE2 MET A 1 -20.394 -16.674 -1.086 1.00 3.26 H new ATOM 0 HE3 MET A 1 -21.613 -16.645 0.210 1.00 3.26 H new ATOM 37 N PRO A 2 -16.547 -13.597 2.768 1.00 0.85 N ATOM 38 CA PRO A 2 -16.073 -12.257 3.115 1.00 0.63 C ATOM 39 C PRO A 2 -16.800 -11.181 2.322 1.00 0.57 C ATOM 40 O PRO A 2 -16.874 -11.238 1.092 1.00 0.68 O ATOM 41 CB PRO A 2 -14.586 -12.287 2.741 1.00 0.60 C ATOM 42 CG PRO A 2 -14.453 -13.411 1.773 1.00 0.79 C ATOM 43 CD PRO A 2 -15.481 -14.424 2.183 1.00 0.89 C ATOM 0 HA PRO A 2 -16.249 -12.018 4.164 1.00 0.63 H new ATOM 0 HB2 PRO A 2 -14.272 -11.343 2.295 1.00 0.60 H new ATOM 0 HB3 PRO A 2 -13.961 -12.447 3.620 1.00 0.60 H new ATOM 0 HG2 PRO A 2 -14.624 -13.071 0.752 1.00 0.79 H new ATOM 0 HG3 PRO A 2 -13.450 -13.837 1.803 1.00 0.79 H new ATOM 0 HD2 PRO A 2 -15.840 -15.002 1.331 1.00 0.89 H new ATOM 0 HD3 PRO A 2 -15.081 -15.136 2.905 1.00 0.89 H new ATOM 51 N SER A 3 -17.332 -10.204 3.034 1.00 0.51 N ATOM 52 CA SER A 3 -18.058 -9.114 2.413 1.00 0.45 C ATOM 53 C SER A 3 -17.101 -8.002 1.994 1.00 0.34 C ATOM 54 O SER A 3 -15.901 -8.084 2.260 1.00 0.30 O ATOM 55 CB SER A 3 -19.114 -8.574 3.380 1.00 0.50 C ATOM 56 OG SER A 3 -19.927 -9.624 3.885 1.00 0.72 O ATOM 0 H SER A 3 -17.273 -10.145 4.051 1.00 0.51 H new ATOM 0 HA SER A 3 -18.556 -9.489 1.519 1.00 0.45 H new ATOM 0 HB2 SER A 3 -18.625 -8.058 4.207 1.00 0.50 H new ATOM 0 HB3 SER A 3 -19.738 -7.840 2.870 1.00 0.50 H new ATOM 0 HG SER A 3 -20.593 -9.254 4.502 1.00 0.72 H new ATOM 62 N LYS A 4 -17.625 -6.974 1.341 1.00 0.32 N ATOM 63 CA LYS A 4 -16.811 -5.836 0.910 1.00 0.28 C ATOM 64 C LYS A 4 -16.022 -5.254 2.086 1.00 0.22 C ATOM 65 O LYS A 4 -14.874 -4.832 1.932 1.00 0.22 O ATOM 66 CB LYS A 4 -17.700 -4.736 0.321 1.00 0.36 C ATOM 67 CG LYS A 4 -18.847 -5.238 -0.542 1.00 0.88 C ATOM 68 CD LYS A 4 -19.626 -4.084 -1.148 1.00 0.88 C ATOM 69 CE LYS A 4 -19.156 -3.772 -2.554 1.00 0.40 C ATOM 70 NZ LYS A 4 -19.414 -4.914 -3.470 1.00 1.69 N ATOM 0 H LYS A 4 -18.612 -6.901 1.096 1.00 0.32 H new ATOM 0 HA LYS A 4 -16.116 -6.195 0.151 1.00 0.28 H new ATOM 0 HB2 LYS A 4 -18.111 -4.144 1.139 1.00 0.36 H new ATOM 0 HB3 LYS A 4 -17.080 -4.068 -0.276 1.00 0.36 H new ATOM 0 HG2 LYS A 4 -18.456 -5.873 -1.337 1.00 0.88 H new ATOM 0 HG3 LYS A 4 -19.515 -5.855 0.059 1.00 0.88 H new ATOM 0 HD2 LYS A 4 -20.688 -4.330 -1.165 1.00 0.88 H new ATOM 0 HD3 LYS A 4 -19.514 -3.199 -0.521 1.00 0.88 H new ATOM 0 HE2 LYS A 4 -19.668 -2.883 -2.923 1.00 0.40 H new ATOM 0 HE3 LYS A 4 -18.090 -3.545 -2.542 1.00 0.40 H new ATOM 0 HZ1 LYS A 4 -19.209 -4.627 -4.449 1.00 1.69 H new ATOM 0 HZ2 LYS A 4 -18.803 -5.714 -3.208 1.00 1.69 H new ATOM 0 HZ3 LYS A 4 -20.411 -5.201 -3.395 1.00 1.69 H new ATOM 84 N LEU A 5 -16.641 -5.252 3.259 1.00 0.22 N ATOM 85 CA LEU A 5 -16.024 -4.689 4.449 1.00 0.22 C ATOM 86 C LEU A 5 -14.897 -5.574 4.957 1.00 0.22 C ATOM 87 O LEU A 5 -13.907 -5.075 5.484 1.00 0.24 O ATOM 88 CB LEU A 5 -17.078 -4.426 5.528 1.00 0.25 C ATOM 89 CG LEU A 5 -16.559 -3.902 6.863 1.00 0.29 C ATOM 90 CD1 LEU A 5 -17.490 -2.827 7.401 1.00 0.32 C ATOM 91 CD2 LEU A 5 -16.436 -5.033 7.871 1.00 0.34 C ATOM 0 H LEU A 5 -17.574 -5.636 3.410 1.00 0.22 H new ATOM 0 HA LEU A 5 -15.578 -3.731 4.184 1.00 0.22 H new ATOM 0 HB2 LEU A 5 -17.799 -3.709 5.135 1.00 0.25 H new ATOM 0 HB3 LEU A 5 -17.619 -5.354 5.711 1.00 0.25 H new ATOM 0 HG LEU A 5 -15.571 -3.471 6.702 1.00 0.29 H new ATOM 0 HD11 LEU A 5 -17.110 -2.460 8.354 1.00 0.32 H new ATOM 0 HD12 LEU A 5 -17.543 -2.003 6.690 1.00 0.32 H new ATOM 0 HD13 LEU A 5 -18.486 -3.247 7.545 1.00 0.32 H new ATOM 0 HD21 LEU A 5 -16.064 -4.639 8.817 1.00 0.34 H new ATOM 0 HD22 LEU A 5 -17.414 -5.489 8.027 1.00 0.34 H new ATOM 0 HD23 LEU A 5 -15.742 -5.783 7.493 1.00 0.34 H new ATOM 103 N ALA A 6 -15.039 -6.879 4.803 1.00 0.23 N ATOM 104 CA ALA A 6 -13.933 -7.782 5.075 1.00 0.24 C ATOM 105 C ALA A 6 -12.710 -7.359 4.267 1.00 0.22 C ATOM 106 O ALA A 6 -11.593 -7.353 4.778 1.00 0.24 O ATOM 107 CB ALA A 6 -14.317 -9.222 4.764 1.00 0.28 C ATOM 0 H ALA A 6 -15.898 -7.334 4.495 1.00 0.23 H new ATOM 0 HA ALA A 6 -13.689 -7.727 6.136 1.00 0.24 H new ATOM 0 HB1 ALA A 6 -13.472 -9.878 4.976 1.00 0.28 H new ATOM 0 HB2 ALA A 6 -15.167 -9.514 5.382 1.00 0.28 H new ATOM 0 HB3 ALA A 6 -14.587 -9.307 3.712 1.00 0.28 H new ATOM 113 N LEU A 7 -12.939 -6.965 3.014 1.00 0.20 N ATOM 114 CA LEU A 7 -11.860 -6.509 2.140 1.00 0.19 C ATOM 115 C LEU A 7 -11.266 -5.179 2.612 1.00 0.18 C ATOM 116 O LEU A 7 -10.056 -5.063 2.769 1.00 0.18 O ATOM 117 CB LEU A 7 -12.382 -6.334 0.709 1.00 0.20 C ATOM 118 CG LEU A 7 -12.466 -7.600 -0.151 1.00 0.23 C ATOM 119 CD1 LEU A 7 -13.334 -8.669 0.495 1.00 0.26 C ATOM 120 CD2 LEU A 7 -13.004 -7.241 -1.524 1.00 0.25 C ATOM 0 H LEU A 7 -13.863 -6.953 2.582 1.00 0.20 H new ATOM 0 HA LEU A 7 -11.078 -7.268 2.171 1.00 0.19 H new ATOM 0 HB2 LEU A 7 -13.377 -5.891 0.761 1.00 0.20 H new ATOM 0 HB3 LEU A 7 -11.740 -5.617 0.198 1.00 0.20 H new ATOM 0 HG LEU A 7 -11.462 -8.015 -0.245 1.00 0.23 H new ATOM 0 HD11 LEU A 7 -13.366 -9.549 -0.148 1.00 0.26 H new ATOM 0 HD12 LEU A 7 -12.915 -8.942 1.463 1.00 0.26 H new ATOM 0 HD13 LEU A 7 -14.344 -8.283 0.633 1.00 0.26 H new ATOM 0 HD21 LEU A 7 -13.065 -8.140 -2.137 1.00 0.25 H new ATOM 0 HD22 LEU A 7 -13.997 -6.803 -1.423 1.00 0.25 H new ATOM 0 HD23 LEU A 7 -12.337 -6.522 -1.999 1.00 0.25 H new ATOM 132 N ILE A 8 -12.118 -4.178 2.837 1.00 0.17 N ATOM 133 CA ILE A 8 -11.642 -2.872 3.306 1.00 0.17 C ATOM 134 C ILE A 8 -10.923 -2.977 4.658 1.00 0.18 C ATOM 135 O ILE A 8 -9.957 -2.259 4.904 1.00 0.20 O ATOM 136 CB ILE A 8 -12.768 -1.792 3.336 1.00 0.18 C ATOM 137 CG1 ILE A 8 -14.022 -2.304 4.020 1.00 0.20 C ATOM 138 CG2 ILE A 8 -13.079 -1.295 1.932 1.00 0.19 C ATOM 139 CD1 ILE A 8 -14.092 -1.931 5.482 1.00 0.24 C ATOM 0 H ILE A 8 -13.127 -4.242 2.705 1.00 0.17 H new ATOM 0 HA ILE A 8 -10.911 -2.535 2.571 1.00 0.17 H new ATOM 0 HB ILE A 8 -12.398 -0.952 3.923 1.00 0.18 H new ATOM 0 HG12 ILE A 8 -14.897 -1.906 3.507 1.00 0.20 H new ATOM 0 HG13 ILE A 8 -14.063 -3.389 3.925 1.00 0.20 H new ATOM 0 HG21 ILE A 8 -13.867 -0.543 1.978 1.00 0.19 H new ATOM 0 HG22 ILE A 8 -12.183 -0.855 1.495 1.00 0.19 H new ATOM 0 HG23 ILE A 8 -13.411 -2.130 1.315 1.00 0.19 H new ATOM 0 HD11 ILE A 8 -15.011 -2.326 5.915 1.00 0.24 H new ATOM 0 HD12 ILE A 8 -13.234 -2.352 6.006 1.00 0.24 H new ATOM 0 HD13 ILE A 8 -14.081 -0.846 5.582 1.00 0.24 H new ATOM 151 N GLN A 9 -11.377 -3.878 5.523 1.00 0.19 N ATOM 152 CA GLN A 9 -10.739 -4.075 6.822 1.00 0.21 C ATOM 153 C GLN A 9 -9.405 -4.820 6.700 1.00 0.22 C ATOM 154 O GLN A 9 -8.481 -4.570 7.472 1.00 0.24 O ATOM 155 CB GLN A 9 -11.665 -4.837 7.773 1.00 0.22 C ATOM 156 CG GLN A 9 -12.876 -4.039 8.231 1.00 0.29 C ATOM 157 CD GLN A 9 -12.503 -2.817 9.045 1.00 0.90 C ATOM 158 OE1 GLN A 9 -12.299 -1.733 8.506 1.00 1.82 O ATOM 159 NE2 GLN A 9 -12.411 -2.984 10.355 1.00 1.37 N ATOM 0 H GLN A 9 -12.181 -4.482 5.350 1.00 0.19 H new ATOM 0 HA GLN A 9 -10.539 -3.083 7.228 1.00 0.21 H new ATOM 0 HB2 GLN A 9 -12.008 -5.746 7.279 1.00 0.22 H new ATOM 0 HB3 GLN A 9 -11.094 -5.146 8.649 1.00 0.22 H new ATOM 0 HG2 GLN A 9 -13.450 -3.727 7.359 1.00 0.29 H new ATOM 0 HG3 GLN A 9 -13.525 -4.682 8.826 1.00 0.29 H new ATOM 0 HE21 GLN A 9 -12.588 -3.901 10.766 1.00 1.37 H new ATOM 0 HE22 GLN A 9 -12.163 -2.196 10.953 1.00 1.37 H new ATOM 168 N GLU A 10 -9.318 -5.759 5.762 1.00 0.21 N ATOM 169 CA GLU A 10 -8.091 -6.535 5.563 1.00 0.23 C ATOM 170 C GLU A 10 -7.025 -5.749 4.812 1.00 0.21 C ATOM 171 O GLU A 10 -5.852 -6.109 4.860 1.00 0.22 O ATOM 172 CB GLU A 10 -8.365 -7.865 4.857 1.00 0.25 C ATOM 173 CG GLU A 10 -8.750 -7.727 3.397 1.00 0.24 C ATOM 174 CD GLU A 10 -8.969 -9.061 2.724 1.00 0.39 C ATOM 175 OE1 GLU A 10 -7.992 -9.631 2.202 1.00 1.11 O ATOM 176 OE2 GLU A 10 -10.117 -9.549 2.706 1.00 1.15 O ATOM 0 H GLU A 10 -10.079 -6.003 5.128 1.00 0.21 H new ATOM 0 HA GLU A 10 -7.706 -6.750 6.560 1.00 0.23 H new ATOM 0 HB2 GLU A 10 -7.476 -8.491 4.929 1.00 0.25 H new ATOM 0 HB3 GLU A 10 -9.165 -8.385 5.384 1.00 0.25 H new ATOM 0 HG2 GLU A 10 -9.660 -7.132 3.320 1.00 0.24 H new ATOM 0 HG3 GLU A 10 -7.967 -7.182 2.869 1.00 0.24 H new ATOM 183 N LEU A 11 -7.436 -4.724 4.067 1.00 0.18 N ATOM 184 CA LEU A 11 -6.486 -3.878 3.336 1.00 0.18 C ATOM 185 C LEU A 11 -5.279 -3.488 4.206 1.00 0.18 C ATOM 186 O LEU A 11 -4.143 -3.597 3.750 1.00 0.17 O ATOM 187 CB LEU A 11 -7.164 -2.620 2.779 1.00 0.19 C ATOM 188 CG LEU A 11 -8.276 -2.867 1.761 1.00 0.20 C ATOM 189 CD1 LEU A 11 -8.753 -1.553 1.178 1.00 0.26 C ATOM 190 CD2 LEU A 11 -7.804 -3.801 0.656 1.00 0.25 C ATOM 0 H LEU A 11 -8.414 -4.458 3.952 1.00 0.18 H new ATOM 0 HA LEU A 11 -6.122 -4.472 2.498 1.00 0.18 H new ATOM 0 HB2 LEU A 11 -7.578 -2.053 3.612 1.00 0.19 H new ATOM 0 HB3 LEU A 11 -6.402 -1.994 2.314 1.00 0.19 H new ATOM 0 HG LEU A 11 -9.110 -3.346 2.274 1.00 0.20 H new ATOM 0 HD11 LEU A 11 -9.545 -1.743 0.454 1.00 0.26 H new ATOM 0 HD12 LEU A 11 -9.136 -0.918 1.977 1.00 0.26 H new ATOM 0 HD13 LEU A 11 -7.921 -1.051 0.683 1.00 0.26 H new ATOM 0 HD21 LEU A 11 -8.614 -3.961 -0.056 1.00 0.25 H new ATOM 0 HD22 LEU A 11 -6.952 -3.356 0.142 1.00 0.25 H new ATOM 0 HD23 LEU A 11 -7.508 -4.756 1.089 1.00 0.25 H new ATOM 202 N PRO A 12 -5.496 -3.020 5.460 1.00 0.21 N ATOM 203 CA PRO A 12 -4.400 -2.783 6.409 1.00 0.25 C ATOM 204 C PRO A 12 -3.457 -3.978 6.564 1.00 0.26 C ATOM 205 O PRO A 12 -2.239 -3.808 6.602 1.00 0.28 O ATOM 206 CB PRO A 12 -5.122 -2.502 7.725 1.00 0.30 C ATOM 207 CG PRO A 12 -6.425 -1.915 7.312 1.00 0.27 C ATOM 208 CD PRO A 12 -6.797 -2.606 6.029 1.00 0.22 C ATOM 0 HA PRO A 12 -3.756 -1.972 6.070 1.00 0.25 H new ATOM 0 HB2 PRO A 12 -5.263 -3.415 8.304 1.00 0.30 H new ATOM 0 HB3 PRO A 12 -4.555 -1.812 8.350 1.00 0.30 H new ATOM 0 HG2 PRO A 12 -7.185 -2.074 8.077 1.00 0.27 H new ATOM 0 HG3 PRO A 12 -6.340 -0.838 7.166 1.00 0.27 H new ATOM 0 HD2 PRO A 12 -7.445 -3.463 6.210 1.00 0.22 H new ATOM 0 HD3 PRO A 12 -7.333 -1.937 5.356 1.00 0.22 H new ATOM 216 N ASP A 13 -4.016 -5.182 6.637 1.00 0.26 N ATOM 217 CA ASP A 13 -3.208 -6.395 6.774 1.00 0.29 C ATOM 218 C ASP A 13 -2.438 -6.664 5.489 1.00 0.25 C ATOM 219 O ASP A 13 -1.246 -6.968 5.512 1.00 0.26 O ATOM 220 CB ASP A 13 -4.087 -7.610 7.101 1.00 0.36 C ATOM 221 CG ASP A 13 -4.782 -7.507 8.443 1.00 0.98 C ATOM 222 OD1 ASP A 13 -4.138 -7.784 9.476 1.00 1.40 O ATOM 223 OD2 ASP A 13 -5.984 -7.169 8.468 1.00 1.86 O ATOM 0 H ASP A 13 -5.022 -5.346 6.604 1.00 0.26 H new ATOM 0 HA ASP A 13 -2.508 -6.237 7.594 1.00 0.29 H new ATOM 0 HB2 ASP A 13 -4.838 -7.727 6.320 1.00 0.36 H new ATOM 0 HB3 ASP A 13 -3.471 -8.509 7.088 1.00 0.36 H new ATOM 228 N ARG A 14 -3.137 -6.550 4.367 1.00 0.22 N ATOM 229 CA ARG A 14 -2.523 -6.719 3.052 1.00 0.22 C ATOM 230 C ARG A 14 -1.371 -5.746 2.852 1.00 0.20 C ATOM 231 O ARG A 14 -0.300 -6.133 2.389 1.00 0.22 O ATOM 232 CB ARG A 14 -3.549 -6.524 1.940 1.00 0.28 C ATOM 233 CG ARG A 14 -4.419 -7.740 1.691 1.00 0.53 C ATOM 234 CD ARG A 14 -5.452 -7.463 0.610 1.00 0.50 C ATOM 235 NE ARG A 14 -6.371 -8.587 0.427 1.00 0.95 N ATOM 236 CZ ARG A 14 -6.455 -9.327 -0.679 1.00 0.72 C ATOM 237 NH1 ARG A 14 -5.627 -9.124 -1.694 1.00 1.08 N ATOM 238 NH2 ARG A 14 -7.361 -10.290 -0.759 1.00 1.15 N ATOM 0 H ARG A 14 -4.135 -6.340 4.339 1.00 0.22 H new ATOM 0 HA ARG A 14 -2.136 -7.737 3.006 1.00 0.22 H new ATOM 0 HB2 ARG A 14 -4.188 -5.677 2.192 1.00 0.28 H new ATOM 0 HB3 ARG A 14 -3.027 -6.267 1.018 1.00 0.28 H new ATOM 0 HG2 ARG A 14 -3.795 -8.583 1.394 1.00 0.53 H new ATOM 0 HG3 ARG A 14 -4.922 -8.026 2.615 1.00 0.53 H new ATOM 0 HD2 ARG A 14 -6.020 -6.570 0.872 1.00 0.50 H new ATOM 0 HD3 ARG A 14 -4.944 -7.253 -0.331 1.00 0.50 H new ATOM 0 HE ARG A 14 -6.992 -8.821 1.201 1.00 0.95 H new ATOM 0 HH11 ARG A 14 -4.916 -8.395 -1.634 1.00 1.08 H new ATOM 0 HH12 ARG A 14 -5.701 -9.697 -2.535 1.00 1.08 H new ATOM 0 HH21 ARG A 14 -7.991 -10.463 0.024 1.00 1.15 H new ATOM 0 HH22 ARG A 14 -7.428 -10.858 -1.603 1.00 1.15 H new ATOM 252 N ILE A 15 -1.595 -4.488 3.202 1.00 0.19 N ATOM 253 CA ILE A 15 -0.574 -3.462 3.056 1.00 0.20 C ATOM 254 C ILE A 15 0.545 -3.681 4.072 1.00 0.21 C ATOM 255 O ILE A 15 1.705 -3.397 3.796 1.00 0.21 O ATOM 256 CB ILE A 15 -1.184 -2.039 3.167 1.00 0.24 C ATOM 257 CG1 ILE A 15 -0.774 -1.188 1.955 1.00 0.26 C ATOM 258 CG2 ILE A 15 -0.798 -1.347 4.468 1.00 0.25 C ATOM 259 CD1 ILE A 15 0.721 -0.942 1.834 1.00 0.25 C ATOM 0 H ILE A 15 -2.477 -4.153 3.590 1.00 0.19 H new ATOM 0 HA ILE A 15 -0.142 -3.543 2.058 1.00 0.20 H new ATOM 0 HB ILE A 15 -2.269 -2.147 3.174 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -1.123 -1.680 1.047 1.00 0.26 H new ATOM 0 HG13 ILE A 15 -1.284 -0.226 2.013 1.00 0.26 H new ATOM 0 HG21 ILE A 15 -1.248 -0.355 4.500 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -1.156 -1.935 5.313 1.00 0.25 H new ATOM 0 HG23 ILE A 15 0.287 -1.255 4.523 1.00 0.25 H new ATOM 0 HD11 ILE A 15 0.919 -0.334 0.952 1.00 0.25 H new ATOM 0 HD12 ILE A 15 1.077 -0.420 2.722 1.00 0.25 H new ATOM 0 HD13 ILE A 15 1.240 -1.896 1.741 1.00 0.25 H new ATOM 271 N GLN A 16 0.194 -4.216 5.236 1.00 0.23 N ATOM 272 CA GLN A 16 1.190 -4.618 6.214 1.00 0.26 C ATOM 273 C GLN A 16 2.099 -5.678 5.605 1.00 0.25 C ATOM 274 O GLN A 16 3.299 -5.696 5.840 1.00 0.29 O ATOM 275 CB GLN A 16 0.511 -5.150 7.480 1.00 0.33 C ATOM 276 CG GLN A 16 1.480 -5.684 8.519 1.00 0.78 C ATOM 277 CD GLN A 16 2.508 -4.657 8.952 1.00 1.16 C ATOM 278 OE1 GLN A 16 2.249 -3.451 8.953 1.00 1.70 O ATOM 279 NE2 GLN A 16 3.685 -5.129 9.321 1.00 1.91 N ATOM 0 H GLN A 16 -0.771 -4.380 5.522 1.00 0.23 H new ATOM 0 HA GLN A 16 1.791 -3.752 6.493 1.00 0.26 H new ATOM 0 HB2 GLN A 16 -0.081 -4.351 7.926 1.00 0.33 H new ATOM 0 HB3 GLN A 16 -0.183 -5.944 7.202 1.00 0.33 H new ATOM 0 HG2 GLN A 16 0.920 -6.020 9.392 1.00 0.78 H new ATOM 0 HG3 GLN A 16 1.994 -6.556 8.115 1.00 0.78 H new ATOM 0 HE21 GLN A 16 3.859 -6.134 9.306 1.00 1.91 H new ATOM 0 HE22 GLN A 16 4.420 -4.489 9.621 1.00 1.91 H new ATOM 288 N THR A 17 1.513 -6.542 4.796 1.00 0.23 N ATOM 289 CA THR A 17 2.263 -7.564 4.084 1.00 0.25 C ATOM 290 C THR A 17 3.024 -6.962 2.904 1.00 0.22 C ATOM 291 O THR A 17 4.088 -7.450 2.514 1.00 0.27 O ATOM 292 CB THR A 17 1.311 -8.666 3.586 1.00 0.30 C ATOM 293 OG1 THR A 17 0.574 -9.213 4.687 1.00 0.38 O ATOM 294 CG2 THR A 17 2.052 -9.781 2.868 1.00 0.32 C ATOM 0 H THR A 17 0.510 -6.556 4.614 1.00 0.23 H new ATOM 0 HA THR A 17 2.987 -7.997 4.774 1.00 0.25 H new ATOM 0 HB THR A 17 0.628 -8.205 2.872 1.00 0.30 H new ATOM 0 HG1 THR A 17 -0.053 -8.541 5.027 1.00 0.38 H new ATOM 0 HG21 THR A 17 1.340 -10.536 2.535 1.00 0.32 H new ATOM 0 HG22 THR A 17 2.578 -9.372 2.005 1.00 0.32 H new ATOM 0 HG23 THR A 17 2.771 -10.237 3.548 1.00 0.32 H new ATOM 302 N ALA A 18 2.489 -5.888 2.357 1.00 0.22 N ATOM 303 CA ALA A 18 3.127 -5.208 1.250 1.00 0.23 C ATOM 304 C ALA A 18 4.376 -4.497 1.732 1.00 0.24 C ATOM 305 O ALA A 18 5.309 -4.273 0.969 1.00 0.29 O ATOM 306 CB ALA A 18 2.166 -4.222 0.606 1.00 0.26 C ATOM 0 H ALA A 18 1.612 -5.468 2.663 1.00 0.22 H new ATOM 0 HA ALA A 18 3.411 -5.946 0.499 1.00 0.23 H new ATOM 0 HB1 ALA A 18 2.662 -3.720 -0.224 1.00 0.26 H new ATOM 0 HB2 ALA A 18 1.291 -4.756 0.236 1.00 0.26 H new ATOM 0 HB3 ALA A 18 1.855 -3.482 1.344 1.00 0.26 H new ATOM 312 N VAL A 19 4.396 -4.165 3.016 1.00 0.24 N ATOM 313 CA VAL A 19 5.491 -3.392 3.567 1.00 0.29 C ATOM 314 C VAL A 19 6.410 -4.202 4.475 1.00 0.23 C ATOM 315 O VAL A 19 7.558 -3.823 4.662 1.00 0.27 O ATOM 316 CB VAL A 19 4.983 -2.182 4.369 1.00 0.49 C ATOM 317 CG1 VAL A 19 3.987 -1.370 3.560 1.00 1.09 C ATOM 318 CG2 VAL A 19 4.379 -2.629 5.689 1.00 1.77 C ATOM 0 H VAL A 19 3.671 -4.418 3.687 1.00 0.24 H new ATOM 0 HA VAL A 19 6.061 -3.064 2.698 1.00 0.29 H new ATOM 0 HB VAL A 19 5.835 -1.538 4.587 1.00 0.49 H new ATOM 0 HG11 VAL A 19 3.644 -0.521 4.151 1.00 1.09 H new ATOM 0 HG12 VAL A 19 4.466 -1.009 2.650 1.00 1.09 H new ATOM 0 HG13 VAL A 19 3.135 -1.997 3.297 1.00 1.09 H new ATOM 0 HG21 VAL A 19 4.026 -1.758 6.241 1.00 1.77 H new ATOM 0 HG22 VAL A 19 3.542 -3.301 5.497 1.00 1.77 H new ATOM 0 HG23 VAL A 19 5.135 -3.149 6.277 1.00 1.77 H new ATOM 328 N GLU A 20 5.915 -5.297 5.039 1.00 0.22 N ATOM 329 CA GLU A 20 6.650 -6.033 6.068 1.00 0.25 C ATOM 330 C GLU A 20 8.038 -6.444 5.583 1.00 0.26 C ATOM 331 O GLU A 20 9.010 -6.401 6.336 1.00 0.30 O ATOM 332 CB GLU A 20 5.854 -7.258 6.517 1.00 0.28 C ATOM 333 CG GLU A 20 5.461 -8.185 5.384 1.00 0.30 C ATOM 334 CD GLU A 20 4.889 -9.490 5.884 1.00 0.96 C ATOM 335 OE1 GLU A 20 3.862 -9.468 6.593 1.00 1.93 O ATOM 336 OE2 GLU A 20 5.477 -10.548 5.582 1.00 1.32 O ATOM 0 H GLU A 20 5.007 -5.698 4.803 1.00 0.22 H new ATOM 0 HA GLU A 20 6.784 -5.367 6.921 1.00 0.25 H new ATOM 0 HB2 GLU A 20 6.445 -7.817 7.242 1.00 0.28 H new ATOM 0 HB3 GLU A 20 4.952 -6.925 7.030 1.00 0.28 H new ATOM 0 HG2 GLU A 20 4.727 -7.689 4.749 1.00 0.30 H new ATOM 0 HG3 GLU A 20 6.334 -8.387 4.764 1.00 0.30 H new ATOM 343 N ALA A 21 8.109 -6.845 4.323 1.00 0.28 N ATOM 344 CA ALA A 21 9.383 -7.158 3.689 1.00 0.32 C ATOM 345 C ALA A 21 10.328 -5.959 3.761 1.00 0.30 C ATOM 346 O ALA A 21 11.457 -6.068 4.235 1.00 0.31 O ATOM 347 CB ALA A 21 9.161 -7.571 2.242 1.00 0.40 C ATOM 0 H ALA A 21 7.297 -6.962 3.717 1.00 0.28 H new ATOM 0 HA ALA A 21 9.842 -7.989 4.225 1.00 0.32 H new ATOM 0 HB1 ALA A 21 10.120 -7.802 1.778 1.00 0.40 H new ATOM 0 HB2 ALA A 21 8.520 -8.452 2.209 1.00 0.40 H new ATOM 0 HB3 ALA A 21 8.684 -6.755 1.700 1.00 0.40 H new ATOM 353 N ALA A 22 9.834 -4.810 3.330 1.00 0.28 N ATOM 354 CA ALA A 22 10.623 -3.585 3.288 1.00 0.29 C ATOM 355 C ALA A 22 10.858 -3.006 4.683 1.00 0.31 C ATOM 356 O ALA A 22 11.854 -2.331 4.923 1.00 0.35 O ATOM 357 CB ALA A 22 9.965 -2.570 2.381 1.00 0.30 C ATOM 0 H ALA A 22 8.876 -4.698 2.999 1.00 0.28 H new ATOM 0 HA ALA A 22 11.603 -3.835 2.881 1.00 0.29 H new ATOM 0 HB1 ALA A 22 10.564 -1.660 2.358 1.00 0.30 H new ATOM 0 HB2 ALA A 22 9.888 -2.979 1.373 1.00 0.30 H new ATOM 0 HB3 ALA A 22 8.968 -2.339 2.756 1.00 0.30 H new ATOM 363 N MET A 23 9.915 -3.200 5.588 1.00 0.30 N ATOM 364 CA MET A 23 10.110 -2.782 6.970 1.00 0.35 C ATOM 365 C MET A 23 11.157 -3.666 7.635 1.00 0.40 C ATOM 366 O MET A 23 11.960 -3.193 8.436 1.00 0.46 O ATOM 367 CB MET A 23 8.802 -2.824 7.756 1.00 0.33 C ATOM 368 CG MET A 23 7.766 -1.823 7.270 1.00 0.38 C ATOM 369 SD MET A 23 8.390 -0.133 7.214 1.00 0.72 S ATOM 370 CE MET A 23 8.491 0.115 5.447 1.00 0.53 C ATOM 0 H MET A 23 9.015 -3.639 5.397 1.00 0.30 H new ATOM 0 HA MET A 23 10.460 -1.750 6.967 1.00 0.35 H new ATOM 0 HB2 MET A 23 8.382 -3.828 7.693 1.00 0.33 H new ATOM 0 HB3 MET A 23 9.014 -2.633 8.808 1.00 0.33 H new ATOM 0 HG2 MET A 23 7.428 -2.113 6.275 1.00 0.38 H new ATOM 0 HG3 MET A 23 6.896 -1.862 7.926 1.00 0.38 H new ATOM 0 HE1 MET A 23 8.351 1.172 5.219 1.00 0.53 H new ATOM 0 HE2 MET A 23 9.469 -0.207 5.090 1.00 0.53 H new ATOM 0 HE3 MET A 23 7.714 -0.468 4.953 1.00 0.53 H new ATOM 380 N GLY A 24 11.137 -4.951 7.293 1.00 0.40 N ATOM 381 CA GLY A 24 12.171 -5.867 7.742 1.00 0.48 C ATOM 382 C GLY A 24 13.541 -5.515 7.190 1.00 0.46 C ATOM 383 O GLY A 24 14.557 -6.003 7.689 1.00 0.57 O ATOM 0 H GLY A 24 10.418 -5.377 6.709 1.00 0.40 H new ATOM 0 HA2 GLY A 24 12.209 -5.860 8.831 1.00 0.48 H new ATOM 0 HA3 GLY A 24 11.910 -6.881 7.438 1.00 0.48 H new ATOM 387 N MET A 25 13.561 -4.671 6.155 1.00 0.44 N ATOM 388 CA MET A 25 14.805 -4.162 5.584 1.00 0.46 C ATOM 389 C MET A 25 15.679 -3.582 6.677 1.00 0.48 C ATOM 390 O MET A 25 15.297 -2.619 7.343 1.00 0.57 O ATOM 391 CB MET A 25 14.527 -3.070 4.565 1.00 0.56 C ATOM 392 CG MET A 25 15.707 -2.782 3.666 1.00 0.53 C ATOM 393 SD MET A 25 15.841 -3.967 2.331 1.00 1.04 S ATOM 394 CE MET A 25 14.622 -3.301 1.211 1.00 0.76 C ATOM 0 H MET A 25 12.720 -4.325 5.694 1.00 0.44 H new ATOM 0 HA MET A 25 15.311 -4.995 5.096 1.00 0.46 H new ATOM 0 HB2 MET A 25 13.674 -3.362 3.952 1.00 0.56 H new ATOM 0 HB3 MET A 25 14.245 -2.156 5.088 1.00 0.56 H new ATOM 0 HG2 MET A 25 15.610 -1.779 3.251 1.00 0.53 H new ATOM 0 HG3 MET A 25 16.624 -2.796 4.256 1.00 0.53 H new ATOM 0 HE1 MET A 25 14.134 -4.117 0.678 1.00 0.76 H new ATOM 0 HE2 MET A 25 13.877 -2.740 1.775 1.00 0.76 H new ATOM 0 HE3 MET A 25 15.109 -2.639 0.495 1.00 0.76 H new ATOM 404 N SER A 26 16.840 -4.178 6.864 1.00 0.54 N ATOM 405 CA SER A 26 17.758 -3.729 7.885 1.00 0.65 C ATOM 406 C SER A 26 18.413 -2.421 7.476 1.00 0.79 C ATOM 407 O SER A 26 18.357 -1.436 8.201 1.00 1.68 O ATOM 408 CB SER A 26 18.817 -4.798 8.156 1.00 0.79 C ATOM 409 OG SER A 26 19.567 -4.500 9.318 1.00 1.67 O ATOM 0 H SER A 26 17.168 -4.976 6.320 1.00 0.54 H new ATOM 0 HA SER A 26 17.196 -3.558 8.803 1.00 0.65 H new ATOM 0 HB2 SER A 26 18.335 -5.769 8.272 1.00 0.79 H new ATOM 0 HB3 SER A 26 19.486 -4.875 7.299 1.00 0.79 H new ATOM 0 HG SER A 26 20.234 -5.202 9.466 1.00 1.67 H new ATOM 415 N TYR A 27 19.044 -2.456 6.300 1.00 0.54 N ATOM 416 CA TYR A 27 19.656 -1.295 5.637 1.00 0.44 C ATOM 417 C TYR A 27 20.675 -0.557 6.513 1.00 0.43 C ATOM 418 O TYR A 27 21.209 0.465 6.103 1.00 0.40 O ATOM 419 CB TYR A 27 18.595 -0.323 5.060 1.00 0.40 C ATOM 420 CG TYR A 27 17.778 0.473 6.066 1.00 0.38 C ATOM 421 CD1 TYR A 27 18.297 1.615 6.666 1.00 1.31 C ATOM 422 CD2 TYR A 27 16.482 0.096 6.402 1.00 1.19 C ATOM 423 CE1 TYR A 27 17.564 2.350 7.570 1.00 1.32 C ATOM 424 CE2 TYR A 27 15.739 0.828 7.305 1.00 1.24 C ATOM 425 CZ TYR A 27 16.284 1.955 7.887 1.00 0.50 C ATOM 426 OH TYR A 27 15.541 2.693 8.782 1.00 0.61 O ATOM 0 H TYR A 27 19.148 -3.318 5.764 1.00 0.54 H new ATOM 0 HA TYR A 27 20.218 -1.706 4.799 1.00 0.44 H new ATOM 0 HB2 TYR A 27 19.102 0.381 4.400 1.00 0.40 H new ATOM 0 HB3 TYR A 27 17.906 -0.899 4.442 1.00 0.40 H new ATOM 0 HD1 TYR A 27 19.299 1.933 6.417 1.00 1.31 H new ATOM 0 HD2 TYR A 27 16.050 -0.784 5.949 1.00 1.19 H new ATOM 0 HE1 TYR A 27 17.990 3.231 8.027 1.00 1.32 H new ATOM 0 HE2 TYR A 27 14.735 0.520 7.556 1.00 1.24 H new ATOM 0 HH TYR A 27 14.660 2.280 8.895 1.00 0.61 H new ATOM 436 N GLN A 28 20.982 -1.100 7.688 1.00 0.55 N ATOM 437 CA GLN A 28 21.964 -0.492 8.582 1.00 0.63 C ATOM 438 C GLN A 28 23.350 -0.641 7.984 1.00 0.66 C ATOM 439 O GLN A 28 24.246 0.166 8.227 1.00 0.77 O ATOM 440 CB GLN A 28 21.927 -1.159 9.960 1.00 0.74 C ATOM 441 CG GLN A 28 20.523 -1.359 10.502 1.00 1.35 C ATOM 442 CD GLN A 28 19.824 -0.061 10.875 1.00 1.68 C ATOM 443 OE1 GLN A 28 20.107 1.002 10.323 1.00 2.31 O ATOM 444 NE2 GLN A 28 18.902 -0.140 11.820 1.00 1.92 N ATOM 0 H GLN A 28 20.565 -1.960 8.044 1.00 0.55 H new ATOM 0 HA GLN A 28 21.722 0.564 8.700 1.00 0.63 H new ATOM 0 HB2 GLN A 28 22.425 -2.127 9.899 1.00 0.74 H new ATOM 0 HB3 GLN A 28 22.496 -0.551 10.664 1.00 0.74 H new ATOM 0 HG2 GLN A 28 19.925 -1.882 9.755 1.00 1.35 H new ATOM 0 HG3 GLN A 28 20.570 -2.002 11.381 1.00 1.35 H new ATOM 0 HE21 GLN A 28 18.694 -1.039 12.255 1.00 1.92 H new ATOM 0 HE22 GLN A 28 18.399 0.698 12.113 1.00 1.92 H new ATOM 453 N ASP A 29 23.499 -1.687 7.182 1.00 0.68 N ATOM 454 CA ASP A 29 24.755 -1.984 6.523 1.00 0.81 C ATOM 455 C ASP A 29 24.964 -1.046 5.333 1.00 0.70 C ATOM 456 O ASP A 29 26.077 -0.876 4.831 1.00 0.86 O ATOM 457 CB ASP A 29 24.764 -3.453 6.088 1.00 0.95 C ATOM 458 CG ASP A 29 25.911 -3.794 5.162 1.00 1.66 C ATOM 459 OD1 ASP A 29 27.079 -3.691 5.584 1.00 2.31 O ATOM 460 OD2 ASP A 29 25.641 -4.158 3.999 1.00 2.34 O ATOM 0 H ASP A 29 22.752 -2.349 6.973 1.00 0.68 H new ATOM 0 HA ASP A 29 25.581 -1.824 7.216 1.00 0.81 H new ATOM 0 HB2 ASP A 29 24.819 -4.087 6.973 1.00 0.95 H new ATOM 0 HB3 ASP A 29 23.822 -3.683 5.589 1.00 0.95 H new ATOM 465 N ALA A 30 23.882 -0.415 4.909 1.00 0.55 N ATOM 466 CA ALA A 30 23.931 0.561 3.836 1.00 0.48 C ATOM 467 C ALA A 30 24.360 1.919 4.397 1.00 0.44 C ATOM 468 O ALA A 30 24.020 2.248 5.534 1.00 0.47 O ATOM 469 CB ALA A 30 22.567 0.653 3.160 1.00 0.47 C ATOM 0 H ALA A 30 22.950 -0.564 5.297 1.00 0.55 H new ATOM 0 HA ALA A 30 24.662 0.251 3.089 1.00 0.48 H new ATOM 0 HB1 ALA A 30 22.609 1.387 2.355 1.00 0.47 H new ATOM 0 HB2 ALA A 30 22.298 -0.320 2.750 1.00 0.47 H new ATOM 0 HB3 ALA A 30 21.818 0.958 3.891 1.00 0.47 H new ATOM 475 N PRO A 31 25.161 2.695 3.632 1.00 0.45 N ATOM 476 CA PRO A 31 25.591 4.036 4.024 1.00 0.48 C ATOM 477 C PRO A 31 24.467 4.894 4.549 1.00 0.41 C ATOM 478 O PRO A 31 23.313 4.719 4.162 1.00 0.34 O ATOM 479 CB PRO A 31 26.098 4.659 2.739 1.00 0.57 C ATOM 480 CG PRO A 31 26.506 3.519 1.876 1.00 0.56 C ATOM 481 CD PRO A 31 25.746 2.300 2.346 1.00 0.50 C ATOM 0 HA PRO A 31 26.327 3.971 4.826 1.00 0.48 H new ATOM 0 HB2 PRO A 31 25.322 5.255 2.260 1.00 0.57 H new ATOM 0 HB3 PRO A 31 26.939 5.325 2.932 1.00 0.57 H new ATOM 0 HG2 PRO A 31 26.283 3.731 0.830 1.00 0.56 H new ATOM 0 HG3 PRO A 31 27.581 3.351 1.945 1.00 0.56 H new ATOM 0 HD2 PRO A 31 24.974 2.015 1.631 1.00 0.50 H new ATOM 0 HD3 PRO A 31 26.407 1.441 2.460 1.00 0.50 H new ATOM 489 N ASN A 32 24.820 5.842 5.387 1.00 0.45 N ATOM 490 CA ASN A 32 23.847 6.657 6.083 1.00 0.41 C ATOM 491 C ASN A 32 22.772 7.222 5.154 1.00 0.38 C ATOM 492 O ASN A 32 21.597 7.005 5.397 1.00 0.37 O ATOM 493 CB ASN A 32 24.549 7.782 6.850 1.00 0.50 C ATOM 494 CG ASN A 32 25.290 8.778 5.968 1.00 1.48 C ATOM 495 OD1 ASN A 32 25.753 8.448 4.875 1.00 2.40 O ATOM 496 ND2 ASN A 32 25.423 10.006 6.447 1.00 1.87 N ATOM 0 H ASN A 32 25.790 6.071 5.606 1.00 0.45 H new ATOM 0 HA ASN A 32 23.333 6.006 6.790 1.00 0.41 H new ATOM 0 HB2 ASN A 32 23.808 8.320 7.441 1.00 0.50 H new ATOM 0 HB3 ASN A 32 25.256 7.340 7.552 1.00 0.50 H new ATOM 0 HD21 ASN A 32 25.922 10.713 5.907 1.00 1.87 H new ATOM 0 HD22 ASN A 32 25.027 10.245 7.356 1.00 1.87 H new ATOM 503 N ASN A 33 23.154 7.897 4.078 1.00 0.42 N ATOM 504 CA ASN A 33 22.172 8.590 3.245 1.00 0.45 C ATOM 505 C ASN A 33 21.389 7.644 2.330 1.00 0.41 C ATOM 506 O ASN A 33 20.218 7.894 2.054 1.00 0.40 O ATOM 507 CB ASN A 33 22.818 9.732 2.448 1.00 0.58 C ATOM 508 CG ASN A 33 24.002 9.308 1.594 1.00 1.43 C ATOM 509 OD1 ASN A 33 24.058 8.194 1.081 1.00 2.14 O ATOM 510 ND2 ASN A 33 24.963 10.204 1.438 1.00 2.17 N ATOM 0 H ASN A 33 24.120 7.981 3.762 1.00 0.42 H new ATOM 0 HA ASN A 33 21.444 9.025 3.930 1.00 0.45 H new ATOM 0 HB2 ASN A 33 22.063 10.182 1.803 1.00 0.58 H new ATOM 0 HB3 ASN A 33 23.145 10.505 3.143 1.00 0.58 H new ATOM 0 HD21 ASN A 33 25.784 9.979 0.876 1.00 2.17 H new ATOM 0 HD22 ASN A 33 24.883 11.120 1.879 1.00 2.17 H new ATOM 517 N VAL A 34 22.009 6.555 1.875 1.00 0.42 N ATOM 518 CA VAL A 34 21.284 5.571 1.066 1.00 0.46 C ATOM 519 C VAL A 34 20.335 4.808 1.957 1.00 0.39 C ATOM 520 O VAL A 34 19.186 4.588 1.608 1.00 0.39 O ATOM 521 CB VAL A 34 22.210 4.615 0.274 1.00 0.60 C ATOM 522 CG1 VAL A 34 23.233 5.408 -0.519 1.00 1.39 C ATOM 523 CG2 VAL A 34 22.894 3.610 1.172 1.00 0.61 C ATOM 0 H VAL A 34 22.990 6.333 2.047 1.00 0.42 H new ATOM 0 HA VAL A 34 20.725 6.116 0.305 1.00 0.46 H new ATOM 0 HB VAL A 34 21.583 4.052 -0.418 1.00 0.60 H new ATOM 0 HG11 VAL A 34 23.877 4.723 -1.070 1.00 1.39 H new ATOM 0 HG12 VAL A 34 22.719 6.066 -1.220 1.00 1.39 H new ATOM 0 HG13 VAL A 34 23.839 6.005 0.163 1.00 1.39 H new ATOM 0 HG21 VAL A 34 23.533 2.961 0.572 1.00 0.61 H new ATOM 0 HG22 VAL A 34 23.501 4.135 1.910 1.00 0.61 H new ATOM 0 HG23 VAL A 34 22.143 3.008 1.683 1.00 0.61 H new ATOM 533 N ARG A 35 20.810 4.472 3.138 1.00 0.37 N ATOM 534 CA ARG A 35 19.996 3.819 4.133 1.00 0.37 C ATOM 535 C ARG A 35 18.939 4.791 4.633 1.00 0.32 C ATOM 536 O ARG A 35 17.866 4.390 5.031 1.00 0.36 O ATOM 537 CB ARG A 35 20.869 3.270 5.256 1.00 0.42 C ATOM 538 CG ARG A 35 20.902 4.104 6.527 1.00 0.40 C ATOM 539 CD ARG A 35 21.942 3.575 7.493 1.00 0.50 C ATOM 540 NE ARG A 35 21.623 3.886 8.884 1.00 1.03 N ATOM 541 CZ ARG A 35 22.340 3.454 9.920 1.00 1.33 C ATOM 542 NH1 ARG A 35 23.430 2.717 9.719 1.00 1.61 N ATOM 543 NH2 ARG A 35 21.960 3.744 11.156 1.00 2.14 N ATOM 0 H ARG A 35 21.771 4.645 3.432 1.00 0.37 H new ATOM 0 HA ARG A 35 19.480 2.965 3.695 1.00 0.37 H new ATOM 0 HB2 ARG A 35 20.519 2.269 5.508 1.00 0.42 H new ATOM 0 HB3 ARG A 35 21.888 3.167 4.883 1.00 0.42 H new ATOM 0 HG2 ARG A 35 21.124 5.142 6.280 1.00 0.40 H new ATOM 0 HG3 ARG A 35 19.920 4.092 7.000 1.00 0.40 H new ATOM 0 HD2 ARG A 35 22.026 2.495 7.376 1.00 0.50 H new ATOM 0 HD3 ARG A 35 22.914 3.999 7.243 1.00 0.50 H new ATOM 0 HE ARG A 35 20.806 4.466 9.073 1.00 1.03 H new ATOM 0 HH11 ARG A 35 23.718 2.481 8.769 1.00 1.61 H new ATOM 0 HH12 ARG A 35 23.977 2.388 10.515 1.00 1.61 H new ATOM 0 HH21 ARG A 35 21.118 4.298 11.314 1.00 2.14 H new ATOM 0 HH22 ARG A 35 22.509 3.413 11.949 1.00 2.14 H new ATOM 557 N ARG A 36 19.277 6.074 4.668 1.00 0.29 N ATOM 558 CA ARG A 36 18.294 7.121 4.908 1.00 0.29 C ATOM 559 C ARG A 36 17.247 7.172 3.810 1.00 0.28 C ATOM 560 O ARG A 36 16.119 7.566 4.056 1.00 0.29 O ATOM 561 CB ARG A 36 18.926 8.490 5.083 1.00 0.33 C ATOM 562 CG ARG A 36 19.271 8.824 6.527 1.00 0.45 C ATOM 563 CD ARG A 36 19.454 7.578 7.373 1.00 0.75 C ATOM 564 NE ARG A 36 20.173 7.843 8.616 1.00 1.43 N ATOM 565 CZ ARG A 36 20.014 7.128 9.729 1.00 2.20 C ATOM 566 NH1 ARG A 36 19.111 6.151 9.767 1.00 2.57 N ATOM 567 NH2 ARG A 36 20.747 7.397 10.808 1.00 3.03 N ATOM 0 H ARG A 36 20.229 6.415 4.532 1.00 0.29 H new ATOM 0 HA ARG A 36 17.806 6.858 5.847 1.00 0.29 H new ATOM 0 HB2 ARG A 36 19.833 8.541 4.481 1.00 0.33 H new ATOM 0 HB3 ARG A 36 18.244 9.247 4.697 1.00 0.33 H new ATOM 0 HG2 ARG A 36 20.185 9.417 6.553 1.00 0.45 H new ATOM 0 HG3 ARG A 36 18.480 9.439 6.955 1.00 0.45 H new ATOM 0 HD2 ARG A 36 18.477 7.155 7.606 1.00 0.75 H new ATOM 0 HD3 ARG A 36 19.996 6.829 6.797 1.00 0.75 H new ATOM 0 HE ARG A 36 20.834 8.619 8.633 1.00 1.43 H new ATOM 0 HH11 ARG A 36 18.542 5.950 8.945 1.00 2.57 H new ATOM 0 HH12 ARG A 36 18.988 5.603 10.618 1.00 2.57 H new ATOM 0 HH21 ARG A 36 21.432 8.152 10.784 1.00 3.03 H new ATOM 0 HH22 ARG A 36 20.623 6.848 11.659 1.00 3.03 H new ATOM 581 N ASP A 37 17.628 6.869 2.581 1.00 0.30 N ATOM 582 CA ASP A 37 16.632 6.744 1.516 1.00 0.30 C ATOM 583 C ASP A 37 15.718 5.575 1.839 1.00 0.25 C ATOM 584 O ASP A 37 14.524 5.590 1.542 1.00 0.24 O ATOM 585 CB ASP A 37 17.272 6.567 0.139 1.00 0.37 C ATOM 586 CG ASP A 37 17.558 7.895 -0.528 1.00 0.67 C ATOM 587 OD1 ASP A 37 16.625 8.485 -1.112 1.00 1.31 O ATOM 588 OD2 ASP A 37 18.712 8.362 -0.479 1.00 1.19 O ATOM 0 H ASP A 37 18.593 6.707 2.294 1.00 0.30 H new ATOM 0 HA ASP A 37 16.057 7.669 1.470 1.00 0.30 H new ATOM 0 HB2 ASP A 37 18.200 6.005 0.240 1.00 0.37 H new ATOM 0 HB3 ASP A 37 16.610 5.978 -0.495 1.00 0.37 H new ATOM 593 N LEU A 38 16.302 4.573 2.479 1.00 0.24 N ATOM 594 CA LEU A 38 15.552 3.476 3.069 1.00 0.22 C ATOM 595 C LEU A 38 14.721 3.993 4.259 1.00 0.23 C ATOM 596 O LEU A 38 13.629 3.499 4.522 1.00 0.24 O ATOM 597 CB LEU A 38 16.512 2.372 3.539 1.00 0.29 C ATOM 598 CG LEU A 38 17.072 1.410 2.479 1.00 0.30 C ATOM 599 CD1 LEU A 38 15.972 0.610 1.860 1.00 0.64 C ATOM 600 CD2 LEU A 38 17.812 2.128 1.387 1.00 0.47 C ATOM 0 H LEU A 38 17.312 4.498 2.604 1.00 0.24 H new ATOM 0 HA LEU A 38 14.880 3.061 2.318 1.00 0.22 H new ATOM 0 HB2 LEU A 38 17.356 2.851 4.036 1.00 0.29 H new ATOM 0 HB3 LEU A 38 15.995 1.777 4.292 1.00 0.29 H new ATOM 0 HG LEU A 38 17.772 0.755 2.999 1.00 0.30 H new ATOM 0 HD11 LEU A 38 16.389 -0.065 1.112 1.00 0.64 H new ATOM 0 HD12 LEU A 38 15.466 0.029 2.631 1.00 0.64 H new ATOM 0 HD13 LEU A 38 15.257 1.281 1.384 1.00 0.64 H new ATOM 0 HD21 LEU A 38 18.187 1.403 0.664 1.00 0.47 H new ATOM 0 HD22 LEU A 38 17.138 2.823 0.887 1.00 0.47 H new ATOM 0 HD23 LEU A 38 18.649 2.679 1.816 1.00 0.47 H new ATOM 612 N ASP A 39 15.267 4.978 4.986 1.00 0.25 N ATOM 613 CA ASP A 39 14.538 5.671 6.055 1.00 0.28 C ATOM 614 C ASP A 39 13.321 6.386 5.495 1.00 0.28 C ATOM 615 O ASP A 39 12.236 6.348 6.073 1.00 0.32 O ATOM 616 CB ASP A 39 15.418 6.670 6.807 1.00 0.32 C ATOM 617 CG ASP A 39 16.139 6.034 7.979 1.00 0.71 C ATOM 618 OD1 ASP A 39 15.540 5.951 9.071 1.00 1.33 O ATOM 619 OD2 ASP A 39 17.298 5.614 7.825 1.00 1.59 O ATOM 0 H ASP A 39 16.220 5.314 4.850 1.00 0.25 H new ATOM 0 HA ASP A 39 14.221 4.907 6.764 1.00 0.28 H new ATOM 0 HB2 ASP A 39 16.150 7.095 6.120 1.00 0.32 H new ATOM 0 HB3 ASP A 39 14.802 7.495 7.166 1.00 0.32 H new ATOM 624 N ASN A 40 13.516 7.037 4.359 1.00 0.26 N ATOM 625 CA ASN A 40 12.439 7.695 3.644 1.00 0.26 C ATOM 626 C ASN A 40 11.459 6.661 3.127 1.00 0.23 C ATOM 627 O ASN A 40 10.257 6.891 3.113 1.00 0.25 O ATOM 628 CB ASN A 40 12.984 8.531 2.481 1.00 0.28 C ATOM 629 CG ASN A 40 13.497 9.888 2.919 1.00 0.68 C ATOM 630 OD1 ASN A 40 12.755 10.870 2.920 1.00 1.13 O ATOM 631 ND2 ASN A 40 14.766 9.958 3.291 1.00 1.22 N ATOM 0 H ASN A 40 14.427 7.123 3.908 1.00 0.26 H new ATOM 0 HA ASN A 40 11.926 8.366 4.334 1.00 0.26 H new ATOM 0 HB2 ASN A 40 13.791 7.983 1.993 1.00 0.28 H new ATOM 0 HB3 ASN A 40 12.198 8.668 1.739 1.00 0.28 H new ATOM 0 HD21 ASN A 40 15.161 10.849 3.592 1.00 1.22 H new ATOM 0 HD22 ASN A 40 15.349 9.121 3.276 1.00 1.22 H new ATOM 638 N LEU A 41 11.982 5.518 2.696 1.00 0.21 N ATOM 639 CA LEU A 41 11.140 4.393 2.318 1.00 0.21 C ATOM 640 C LEU A 41 10.292 3.977 3.510 1.00 0.22 C ATOM 641 O LEU A 41 9.093 3.757 3.386 1.00 0.24 O ATOM 642 CB LEU A 41 11.989 3.212 1.842 1.00 0.21 C ATOM 643 CG LEU A 41 11.193 1.984 1.389 1.00 0.58 C ATOM 644 CD1 LEU A 41 10.351 2.314 0.164 1.00 0.39 C ATOM 645 CD2 LEU A 41 12.127 0.820 1.102 1.00 1.20 C ATOM 0 H LEU A 41 12.983 5.348 2.600 1.00 0.21 H new ATOM 0 HA LEU A 41 10.493 4.699 1.495 1.00 0.21 H new ATOM 0 HB2 LEU A 41 12.617 3.545 1.015 1.00 0.21 H new ATOM 0 HB3 LEU A 41 12.657 2.915 2.650 1.00 0.21 H new ATOM 0 HG LEU A 41 10.521 1.692 2.196 1.00 0.58 H new ATOM 0 HD11 LEU A 41 9.793 1.429 -0.143 1.00 0.39 H new ATOM 0 HD12 LEU A 41 9.654 3.116 0.407 1.00 0.39 H new ATOM 0 HD13 LEU A 41 11.002 2.633 -0.650 1.00 0.39 H new ATOM 0 HD21 LEU A 41 11.544 -0.044 0.782 1.00 1.20 H new ATOM 0 HD22 LEU A 41 12.825 1.100 0.313 1.00 1.20 H new ATOM 0 HD23 LEU A 41 12.682 0.568 2.005 1.00 1.20 H new ATOM 657 N HIS A 42 10.926 3.900 4.672 1.00 0.27 N ATOM 658 CA HIS A 42 10.237 3.549 5.904 1.00 0.35 C ATOM 659 C HIS A 42 9.219 4.600 6.291 1.00 0.39 C ATOM 660 O HIS A 42 8.223 4.286 6.916 1.00 0.47 O ATOM 661 CB HIS A 42 11.223 3.323 7.053 1.00 0.40 C ATOM 662 CG HIS A 42 11.730 1.921 7.107 1.00 0.54 C ATOM 663 ND1 HIS A 42 12.201 1.323 8.254 1.00 1.01 N ATOM 664 CD2 HIS A 42 11.811 0.990 6.135 1.00 0.94 C ATOM 665 CE1 HIS A 42 12.554 0.080 7.984 1.00 1.19 C ATOM 666 NE2 HIS A 42 12.327 -0.149 6.701 1.00 1.15 N ATOM 0 H HIS A 42 11.924 4.078 4.786 1.00 0.27 H new ATOM 0 HA HIS A 42 9.709 2.614 5.715 1.00 0.35 H new ATOM 0 HB2 HIS A 42 12.065 4.006 6.944 1.00 0.40 H new ATOM 0 HB3 HIS A 42 10.736 3.566 7.998 1.00 0.40 H new ATOM 0 HD2 HIS A 42 11.523 1.117 5.102 1.00 0.94 H new ATOM 0 HE1 HIS A 42 12.959 -0.629 8.690 1.00 1.19 H new ATOM 0 HE2 HIS A 42 12.506 -1.027 6.213 1.00 1.15 H new ATOM 675 N ALA A 43 9.472 5.850 5.953 1.00 0.42 N ATOM 676 CA ALA A 43 8.512 6.894 6.255 1.00 0.49 C ATOM 677 C ALA A 43 7.351 6.877 5.266 1.00 0.48 C ATOM 678 O ALA A 43 6.194 6.862 5.663 1.00 0.51 O ATOM 679 CB ALA A 43 9.194 8.253 6.253 1.00 0.56 C ATOM 0 H ALA A 43 10.318 6.164 5.478 1.00 0.42 H new ATOM 0 HA ALA A 43 8.107 6.705 7.249 1.00 0.49 H new ATOM 0 HB1 ALA A 43 8.462 9.028 6.481 1.00 0.56 H new ATOM 0 HB2 ALA A 43 9.982 8.266 7.006 1.00 0.56 H new ATOM 0 HB3 ALA A 43 9.627 8.441 5.271 1.00 0.56 H new ATOM 685 N CYS A 44 7.668 6.852 3.978 1.00 0.44 N ATOM 686 CA CYS A 44 6.655 6.906 2.932 1.00 0.46 C ATOM 687 C CYS A 44 5.866 5.608 2.778 1.00 0.42 C ATOM 688 O CYS A 44 4.657 5.641 2.587 1.00 0.43 O ATOM 689 CB CYS A 44 7.263 7.342 1.607 1.00 0.47 C ATOM 690 SG CYS A 44 6.130 7.246 0.199 1.00 1.61 S ATOM 0 H CYS A 44 8.625 6.794 3.631 1.00 0.44 H new ATOM 0 HA CYS A 44 5.932 7.657 3.249 1.00 0.46 H new ATOM 0 HB2 CYS A 44 7.617 8.368 1.704 1.00 0.47 H new ATOM 0 HB3 CYS A 44 8.135 6.722 1.399 1.00 0.47 H new ATOM 0 HG CYS A 44 6.666 7.833 -0.830 1.00 1.61 H new ATOM 696 N LEU A 45 6.530 4.467 2.837 1.00 0.39 N ATOM 697 CA LEU A 45 5.827 3.199 2.691 1.00 0.38 C ATOM 698 C LEU A 45 4.954 2.958 3.916 1.00 0.36 C ATOM 699 O LEU A 45 3.844 2.431 3.825 1.00 0.35 O ATOM 700 CB LEU A 45 6.819 2.050 2.495 1.00 0.39 C ATOM 701 CG LEU A 45 6.198 0.700 2.134 1.00 0.95 C ATOM 702 CD1 LEU A 45 5.408 0.799 0.840 1.00 0.69 C ATOM 703 CD2 LEU A 45 7.276 -0.362 2.016 1.00 1.87 C ATOM 0 H LEU A 45 7.537 4.389 2.982 1.00 0.39 H new ATOM 0 HA LEU A 45 5.192 3.243 1.806 1.00 0.38 H new ATOM 0 HB2 LEU A 45 7.521 2.329 1.709 1.00 0.39 H new ATOM 0 HB3 LEU A 45 7.397 1.931 3.412 1.00 0.39 H new ATOM 0 HG LEU A 45 5.512 0.414 2.932 1.00 0.95 H new ATOM 0 HD11 LEU A 45 4.975 -0.173 0.603 1.00 0.69 H new ATOM 0 HD12 LEU A 45 4.610 1.533 0.956 1.00 0.69 H new ATOM 0 HD13 LEU A 45 6.071 1.108 0.032 1.00 0.69 H new ATOM 0 HD21 LEU A 45 6.819 -1.317 1.759 1.00 1.87 H new ATOM 0 HD22 LEU A 45 7.984 -0.077 1.238 1.00 1.87 H new ATOM 0 HD23 LEU A 45 7.801 -0.455 2.967 1.00 1.87 H new ATOM 715 N ASN A 46 5.452 3.390 5.061 1.00 0.40 N ATOM 716 CA ASN A 46 4.703 3.293 6.302 1.00 0.45 C ATOM 717 C ASN A 46 3.604 4.359 6.355 1.00 0.43 C ATOM 718 O ASN A 46 2.567 4.153 6.982 1.00 0.42 O ATOM 719 CB ASN A 46 5.657 3.387 7.499 1.00 0.53 C ATOM 720 CG ASN A 46 4.992 3.880 8.774 1.00 0.59 C ATOM 721 OD1 ASN A 46 4.411 3.101 9.528 1.00 1.25 O ATOM 722 ND2 ASN A 46 5.087 5.179 9.031 1.00 1.00 N ATOM 0 H ASN A 46 6.375 3.813 5.157 1.00 0.40 H new ATOM 0 HA ASN A 46 4.208 2.323 6.348 1.00 0.45 H new ATOM 0 HB2 ASN A 46 6.092 2.405 7.683 1.00 0.53 H new ATOM 0 HB3 ASN A 46 6.478 4.057 7.246 1.00 0.53 H new ATOM 0 HD21 ASN A 46 4.670 5.563 9.879 1.00 1.00 H new ATOM 0 HD22 ASN A 46 5.577 5.793 8.381 1.00 1.00 H new ATOM 729 N LYS A 47 3.795 5.472 5.646 1.00 0.49 N ATOM 730 CA LYS A 47 2.768 6.509 5.588 1.00 0.47 C ATOM 731 C LYS A 47 1.721 6.091 4.567 1.00 0.42 C ATOM 732 O LYS A 47 0.577 6.526 4.616 1.00 0.43 O ATOM 733 CB LYS A 47 3.365 7.881 5.230 1.00 0.53 C ATOM 734 CG LYS A 47 3.586 8.114 3.747 1.00 1.02 C ATOM 735 CD LYS A 47 4.467 9.327 3.499 1.00 1.07 C ATOM 736 CE LYS A 47 3.775 10.627 3.869 1.00 1.30 C ATOM 737 NZ LYS A 47 4.679 11.790 3.687 1.00 2.15 N ATOM 0 H LYS A 47 4.639 5.676 5.111 1.00 0.49 H new ATOM 0 HA LYS A 47 2.310 6.615 6.571 1.00 0.47 H new ATOM 0 HB2 LYS A 47 2.704 8.659 5.611 1.00 0.53 H new ATOM 0 HB3 LYS A 47 4.318 7.992 5.747 1.00 0.53 H new ATOM 0 HG2 LYS A 47 4.047 7.231 3.304 1.00 1.02 H new ATOM 0 HG3 LYS A 47 2.625 8.254 3.252 1.00 1.02 H new ATOM 0 HD2 LYS A 47 5.386 9.230 4.077 1.00 1.07 H new ATOM 0 HD3 LYS A 47 4.753 9.357 2.448 1.00 1.07 H new ATOM 0 HE2 LYS A 47 2.885 10.756 3.253 1.00 1.30 H new ATOM 0 HE3 LYS A 47 3.441 10.582 4.906 1.00 1.30 H new ATOM 0 HZ1 LYS A 47 4.178 12.663 3.948 1.00 2.15 H new ATOM 0 HZ2 LYS A 47 5.516 11.677 4.293 1.00 2.15 H new ATOM 0 HZ3 LYS A 47 4.977 11.846 2.692 1.00 2.15 H new ATOM 751 N ALA A 48 2.136 5.233 3.641 1.00 0.40 N ATOM 752 CA ALA A 48 1.222 4.614 2.698 1.00 0.38 C ATOM 753 C ALA A 48 0.305 3.657 3.435 1.00 0.36 C ATOM 754 O ALA A 48 -0.860 3.503 3.081 1.00 0.36 O ATOM 755 CB ALA A 48 1.982 3.887 1.601 1.00 0.41 C ATOM 0 H ALA A 48 3.109 4.951 3.526 1.00 0.40 H new ATOM 0 HA ALA A 48 0.623 5.393 2.226 1.00 0.38 H new ATOM 0 HB1 ALA A 48 1.274 3.432 0.908 1.00 0.41 H new ATOM 0 HB2 ALA A 48 2.612 4.596 1.063 1.00 0.41 H new ATOM 0 HB3 ALA A 48 2.606 3.111 2.044 1.00 0.41 H new ATOM 761 N LYS A 49 0.826 3.036 4.492 1.00 0.37 N ATOM 762 CA LYS A 49 0.011 2.179 5.336 1.00 0.41 C ATOM 763 C LYS A 49 -1.020 3.013 6.066 1.00 0.46 C ATOM 764 O LYS A 49 -2.165 2.611 6.217 1.00 0.56 O ATOM 765 CB LYS A 49 0.854 1.445 6.379 1.00 0.41 C ATOM 766 CG LYS A 49 1.813 0.427 5.809 1.00 0.39 C ATOM 767 CD LYS A 49 2.284 -0.526 6.889 1.00 0.42 C ATOM 768 CE LYS A 49 3.216 0.146 7.886 1.00 0.45 C ATOM 769 NZ LYS A 49 3.481 -0.721 9.066 1.00 1.03 N ATOM 0 H LYS A 49 1.802 3.112 4.779 1.00 0.37 H new ATOM 0 HA LYS A 49 -0.468 1.445 4.688 1.00 0.41 H new ATOM 0 HB2 LYS A 49 1.422 2.179 6.950 1.00 0.41 H new ATOM 0 HB3 LYS A 49 0.186 0.943 7.079 1.00 0.41 H new ATOM 0 HG2 LYS A 49 1.326 -0.132 5.010 1.00 0.39 H new ATOM 0 HG3 LYS A 49 2.670 0.935 5.366 1.00 0.39 H new ATOM 0 HD2 LYS A 49 1.420 -0.929 7.417 1.00 0.42 H new ATOM 0 HD3 LYS A 49 2.797 -1.370 6.427 1.00 0.42 H new ATOM 0 HE2 LYS A 49 4.158 0.390 7.395 1.00 0.45 H new ATOM 0 HE3 LYS A 49 2.776 1.087 8.218 1.00 0.45 H new ATOM 0 HZ1 LYS A 49 3.116 -0.261 9.924 1.00 1.03 H new ATOM 0 HZ2 LYS A 49 3.007 -1.638 8.937 1.00 1.03 H new ATOM 0 HZ3 LYS A 49 4.505 -0.872 9.163 1.00 1.03 H new ATOM 783 N LEU A 50 -0.591 4.172 6.537 1.00 0.44 N ATOM 784 CA LEU A 50 -1.448 5.045 7.316 1.00 0.51 C ATOM 785 C LEU A 50 -2.466 5.777 6.460 1.00 0.44 C ATOM 786 O LEU A 50 -3.606 5.928 6.867 1.00 0.43 O ATOM 787 CB LEU A 50 -0.610 6.031 8.115 1.00 0.62 C ATOM 788 CG LEU A 50 -0.201 5.535 9.501 1.00 1.02 C ATOM 789 CD1 LEU A 50 0.623 4.265 9.410 1.00 2.08 C ATOM 790 CD2 LEU A 50 0.566 6.606 10.234 1.00 0.75 C ATOM 0 H LEU A 50 0.353 4.530 6.391 1.00 0.44 H new ATOM 0 HA LEU A 50 -2.011 4.414 8.003 1.00 0.51 H new ATOM 0 HB2 LEU A 50 0.290 6.268 7.547 1.00 0.62 H new ATOM 0 HB3 LEU A 50 -1.171 6.959 8.226 1.00 0.62 H new ATOM 0 HG LEU A 50 -1.110 5.306 10.058 1.00 1.02 H new ATOM 0 HD11 LEU A 50 0.898 3.937 10.412 1.00 2.08 H new ATOM 0 HD12 LEU A 50 0.038 3.486 8.922 1.00 2.08 H new ATOM 0 HD13 LEU A 50 1.526 4.458 8.830 1.00 2.08 H new ATOM 0 HD21 LEU A 50 0.851 6.239 11.220 1.00 0.75 H new ATOM 0 HD22 LEU A 50 1.462 6.863 9.669 1.00 0.75 H new ATOM 0 HD23 LEU A 50 -0.060 7.492 10.343 1.00 0.75 H new ATOM 802 N THR A 51 -2.066 6.234 5.285 1.00 0.41 N ATOM 803 CA THR A 51 -2.989 6.924 4.395 1.00 0.40 C ATOM 804 C THR A 51 -4.097 5.987 3.948 1.00 0.35 C ATOM 805 O THR A 51 -5.263 6.364 3.905 1.00 0.34 O ATOM 806 CB THR A 51 -2.269 7.493 3.159 1.00 0.43 C ATOM 807 OG1 THR A 51 -1.426 6.496 2.575 1.00 0.48 O ATOM 808 CG2 THR A 51 -1.442 8.706 3.533 1.00 0.54 C ATOM 0 H THR A 51 -1.116 6.142 4.926 1.00 0.41 H new ATOM 0 HA THR A 51 -3.417 7.755 4.955 1.00 0.40 H new ATOM 0 HB THR A 51 -3.024 7.794 2.433 1.00 0.43 H new ATOM 0 HG1 THR A 51 -0.621 6.387 3.123 1.00 0.48 H new ATOM 0 HG21 THR A 51 -0.941 9.093 2.645 1.00 0.54 H new ATOM 0 HG22 THR A 51 -2.093 9.476 3.947 1.00 0.54 H new ATOM 0 HG23 THR A 51 -0.696 8.423 4.276 1.00 0.54 H new ATOM 816 N VAL A 52 -3.714 4.768 3.618 1.00 0.34 N ATOM 817 CA VAL A 52 -4.656 3.737 3.229 1.00 0.31 C ATOM 818 C VAL A 52 -5.435 3.236 4.440 1.00 0.27 C ATOM 819 O VAL A 52 -6.643 3.007 4.373 1.00 0.28 O ATOM 820 CB VAL A 52 -3.908 2.586 2.520 1.00 0.34 C ATOM 821 CG1 VAL A 52 -4.795 1.385 2.277 1.00 0.33 C ATOM 822 CG2 VAL A 52 -3.329 3.076 1.204 1.00 0.43 C ATOM 0 H VAL A 52 -2.740 4.465 3.612 1.00 0.34 H new ATOM 0 HA VAL A 52 -5.378 4.157 2.529 1.00 0.31 H new ATOM 0 HB VAL A 52 -3.104 2.267 3.183 1.00 0.34 H new ATOM 0 HG11 VAL A 52 -4.222 0.605 1.777 1.00 0.33 H new ATOM 0 HG12 VAL A 52 -5.166 1.008 3.230 1.00 0.33 H new ATOM 0 HG13 VAL A 52 -5.637 1.676 1.649 1.00 0.33 H new ATOM 0 HG21 VAL A 52 -2.803 2.258 0.711 1.00 0.43 H new ATOM 0 HG22 VAL A 52 -4.135 3.429 0.561 1.00 0.43 H new ATOM 0 HG23 VAL A 52 -2.632 3.892 1.395 1.00 0.43 H new ATOM 832 N GLY A 53 -4.726 3.106 5.547 1.00 0.27 N ATOM 833 CA GLY A 53 -5.329 2.694 6.796 1.00 0.30 C ATOM 834 C GLY A 53 -6.395 3.667 7.200 1.00 0.27 C ATOM 835 O GLY A 53 -7.501 3.298 7.595 1.00 0.27 O ATOM 0 H GLY A 53 -3.723 3.282 5.603 1.00 0.27 H new ATOM 0 HA2 GLY A 53 -5.757 1.697 6.691 1.00 0.30 H new ATOM 0 HA3 GLY A 53 -4.568 2.633 7.574 1.00 0.30 H new ATOM 839 N ARG A 54 -6.041 4.921 7.062 1.00 0.27 N ATOM 840 CA ARG A 54 -6.923 6.016 7.346 1.00 0.27 C ATOM 841 C ARG A 54 -7.963 6.216 6.249 1.00 0.24 C ATOM 842 O ARG A 54 -9.012 6.810 6.484 1.00 0.25 O ATOM 843 CB ARG A 54 -6.098 7.265 7.559 1.00 0.38 C ATOM 844 CG ARG A 54 -6.802 8.523 7.170 1.00 0.89 C ATOM 845 CD ARG A 54 -5.793 9.547 6.727 1.00 1.02 C ATOM 846 NE ARG A 54 -6.296 10.918 6.815 1.00 1.79 N ATOM 847 CZ ARG A 54 -5.813 11.936 6.104 1.00 2.26 C ATOM 848 NH1 ARG A 54 -4.875 11.726 5.187 1.00 2.18 N ATOM 849 NH2 ARG A 54 -6.289 13.161 6.288 1.00 3.18 N ATOM 0 H ARG A 54 -5.116 5.210 6.744 1.00 0.27 H new ATOM 0 HA ARG A 54 -7.482 5.789 8.254 1.00 0.27 H new ATOM 0 HB2 ARG A 54 -5.815 7.328 8.610 1.00 0.38 H new ATOM 0 HB3 ARG A 54 -5.175 7.183 6.984 1.00 0.38 H new ATOM 0 HG2 ARG A 54 -7.509 8.322 6.365 1.00 0.89 H new ATOM 0 HG3 ARG A 54 -7.378 8.905 8.013 1.00 0.89 H new ATOM 0 HD2 ARG A 54 -4.896 9.455 7.340 1.00 1.02 H new ATOM 0 HD3 ARG A 54 -5.499 9.339 5.698 1.00 1.02 H new ATOM 0 HE ARG A 54 -7.063 11.106 7.460 1.00 1.79 H new ATOM 0 HH11 ARG A 54 -4.522 10.783 5.025 1.00 2.18 H new ATOM 0 HH12 ARG A 54 -4.508 12.508 4.645 1.00 2.18 H new ATOM 0 HH21 ARG A 54 -7.026 13.324 6.974 1.00 3.18 H new ATOM 0 HH22 ARG A 54 -5.918 13.939 5.743 1.00 3.18 H new ATOM 863 N MET A 55 -7.688 5.737 5.050 1.00 0.23 N ATOM 864 CA MET A 55 -8.670 5.832 3.986 1.00 0.24 C ATOM 865 C MET A 55 -9.813 4.885 4.290 1.00 0.21 C ATOM 866 O MET A 55 -10.978 5.189 4.037 1.00 0.23 O ATOM 867 CB MET A 55 -8.068 5.527 2.617 1.00 0.28 C ATOM 868 CG MET A 55 -8.973 5.966 1.483 1.00 0.34 C ATOM 869 SD MET A 55 -9.426 7.704 1.635 1.00 0.68 S ATOM 870 CE MET A 55 -10.686 7.850 0.378 1.00 0.41 C ATOM 0 H MET A 55 -6.810 5.286 4.791 1.00 0.23 H new ATOM 0 HA MET A 55 -9.035 6.858 3.943 1.00 0.24 H new ATOM 0 HB2 MET A 55 -7.105 6.029 2.526 1.00 0.28 H new ATOM 0 HB3 MET A 55 -7.879 4.457 2.535 1.00 0.28 H new ATOM 0 HG2 MET A 55 -8.470 5.802 0.530 1.00 0.34 H new ATOM 0 HG3 MET A 55 -9.874 5.353 1.477 1.00 0.34 H new ATOM 0 HE1 MET A 55 -11.495 8.482 0.745 1.00 0.41 H new ATOM 0 HE2 MET A 55 -10.256 8.296 -0.519 1.00 0.41 H new ATOM 0 HE3 MET A 55 -11.078 6.861 0.139 1.00 0.41 H new ATOM 880 N VAL A 56 -9.464 3.740 4.862 1.00 0.20 N ATOM 881 CA VAL A 56 -10.456 2.828 5.400 1.00 0.22 C ATOM 882 C VAL A 56 -11.226 3.530 6.513 1.00 0.21 C ATOM 883 O VAL A 56 -12.434 3.377 6.633 1.00 0.25 O ATOM 884 CB VAL A 56 -9.807 1.539 5.947 1.00 0.25 C ATOM 885 CG1 VAL A 56 -10.864 0.575 6.465 1.00 0.29 C ATOM 886 CG2 VAL A 56 -8.958 0.872 4.875 1.00 0.26 C ATOM 0 H VAL A 56 -8.500 3.424 4.964 1.00 0.20 H new ATOM 0 HA VAL A 56 -11.132 2.542 4.595 1.00 0.22 H new ATOM 0 HB VAL A 56 -9.161 1.814 6.781 1.00 0.25 H new ATOM 0 HG11 VAL A 56 -10.381 -0.325 6.845 1.00 0.29 H new ATOM 0 HG12 VAL A 56 -11.428 1.050 7.268 1.00 0.29 H new ATOM 0 HG13 VAL A 56 -11.542 0.308 5.654 1.00 0.29 H new ATOM 0 HG21 VAL A 56 -8.508 -0.035 5.279 1.00 0.26 H new ATOM 0 HG22 VAL A 56 -9.585 0.617 4.021 1.00 0.26 H new ATOM 0 HG23 VAL A 56 -8.171 1.556 4.556 1.00 0.26 H new ATOM 896 N THR A 57 -10.511 4.329 7.304 1.00 0.19 N ATOM 897 CA THR A 57 -11.133 5.133 8.349 1.00 0.22 C ATOM 898 C THR A 57 -12.119 6.132 7.758 1.00 0.21 C ATOM 899 O THR A 57 -13.223 6.296 8.267 1.00 0.25 O ATOM 900 CB THR A 57 -10.075 5.881 9.178 1.00 0.25 C ATOM 901 OG1 THR A 57 -9.093 4.952 9.650 1.00 0.29 O ATOM 902 CG2 THR A 57 -10.710 6.595 10.363 1.00 0.33 C ATOM 0 H THR A 57 -9.499 4.435 7.239 1.00 0.19 H new ATOM 0 HA THR A 57 -11.673 4.449 9.004 1.00 0.22 H new ATOM 0 HB THR A 57 -9.605 6.629 8.539 1.00 0.25 H new ATOM 0 HG1 THR A 57 -8.418 5.429 10.177 1.00 0.29 H new ATOM 0 HG21 THR A 57 -9.938 7.115 10.931 1.00 0.33 H new ATOM 0 HG22 THR A 57 -11.444 7.316 10.003 1.00 0.33 H new ATOM 0 HG23 THR A 57 -11.204 5.866 11.005 1.00 0.33 H new ATOM 910 N SER A 58 -11.716 6.779 6.676 1.00 0.24 N ATOM 911 CA SER A 58 -12.566 7.741 5.986 1.00 0.28 C ATOM 912 C SER A 58 -13.881 7.091 5.536 1.00 0.26 C ATOM 913 O SER A 58 -14.947 7.694 5.639 1.00 0.32 O ATOM 914 CB SER A 58 -11.815 8.323 4.789 1.00 0.34 C ATOM 915 OG SER A 58 -10.560 8.858 5.194 1.00 1.20 O ATOM 0 H SER A 58 -10.797 6.655 6.252 1.00 0.24 H new ATOM 0 HA SER A 58 -12.815 8.546 6.677 1.00 0.28 H new ATOM 0 HB2 SER A 58 -11.660 7.548 4.039 1.00 0.34 H new ATOM 0 HB3 SER A 58 -12.415 9.104 4.322 1.00 0.34 H new ATOM 0 HG SER A 58 -9.974 8.130 5.489 1.00 1.20 H new ATOM 921 N LEU A 59 -13.795 5.867 5.030 1.00 0.23 N ATOM 922 CA LEU A 59 -14.984 5.100 4.653 1.00 0.23 C ATOM 923 C LEU A 59 -15.743 4.622 5.893 1.00 0.23 C ATOM 924 O LEU A 59 -16.967 4.502 5.883 1.00 0.30 O ATOM 925 CB LEU A 59 -14.596 3.893 3.786 1.00 0.29 C ATOM 926 CG LEU A 59 -14.431 4.155 2.279 1.00 0.34 C ATOM 927 CD1 LEU A 59 -13.479 5.312 2.009 1.00 1.39 C ATOM 928 CD2 LEU A 59 -13.927 2.897 1.599 1.00 1.45 C ATOM 0 H LEU A 59 -12.913 5.380 4.869 1.00 0.23 H new ATOM 0 HA LEU A 59 -15.635 5.758 4.077 1.00 0.23 H new ATOM 0 HB2 LEU A 59 -13.659 3.487 4.166 1.00 0.29 H new ATOM 0 HB3 LEU A 59 -15.354 3.121 3.917 1.00 0.29 H new ATOM 0 HG LEU A 59 -15.405 4.430 1.874 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -13.389 5.466 0.934 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -13.867 6.218 2.474 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -12.499 5.081 2.426 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -13.810 3.082 0.531 1.00 1.45 H new ATOM 0 HD22 LEU A 59 -12.965 2.613 2.026 1.00 1.45 H new ATOM 0 HD23 LEU A 59 -14.643 2.090 1.751 1.00 1.45 H new ATOM 940 N LEU A 60 -15.003 4.367 6.964 1.00 0.20 N ATOM 941 CA LEU A 60 -15.561 3.774 8.177 1.00 0.23 C ATOM 942 C LEU A 60 -16.210 4.809 9.091 1.00 0.28 C ATOM 943 O LEU A 60 -16.824 4.456 10.097 1.00 0.33 O ATOM 944 CB LEU A 60 -14.467 3.019 8.943 1.00 0.24 C ATOM 945 CG LEU A 60 -14.588 1.490 8.937 1.00 0.58 C ATOM 946 CD1 LEU A 60 -15.847 1.048 9.665 1.00 1.43 C ATOM 947 CD2 LEU A 60 -14.581 0.958 7.514 1.00 0.59 C ATOM 0 H LEU A 60 -14.004 4.563 7.019 1.00 0.20 H new ATOM 0 HA LEU A 60 -16.343 3.082 7.864 1.00 0.23 H new ATOM 0 HB2 LEU A 60 -13.500 3.291 8.521 1.00 0.24 H new ATOM 0 HB3 LEU A 60 -14.471 3.362 9.978 1.00 0.24 H new ATOM 0 HG LEU A 60 -13.726 1.078 9.462 1.00 0.58 H new ATOM 0 HD11 LEU A 60 -15.914 -0.040 9.649 1.00 1.43 H new ATOM 0 HD12 LEU A 60 -15.811 1.394 10.698 1.00 1.43 H new ATOM 0 HD13 LEU A 60 -16.721 1.472 9.171 1.00 1.43 H new ATOM 0 HD21 LEU A 60 -14.668 -0.128 7.531 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -15.422 1.380 6.964 1.00 0.59 H new ATOM 0 HD23 LEU A 60 -13.649 1.240 7.025 1.00 0.59 H new ATOM 959 N GLU A 61 -16.080 6.079 8.751 1.00 0.32 N ATOM 960 CA GLU A 61 -16.656 7.135 9.566 1.00 0.42 C ATOM 961 C GLU A 61 -17.924 7.684 8.921 1.00 0.45 C ATOM 962 O GLU A 61 -18.344 8.808 9.200 1.00 0.59 O ATOM 963 CB GLU A 61 -15.639 8.255 9.814 1.00 0.56 C ATOM 964 CG GLU A 61 -14.932 8.739 8.560 1.00 0.77 C ATOM 965 CD GLU A 61 -14.133 10.002 8.791 1.00 1.74 C ATOM 966 OE1 GLU A 61 -14.735 11.098 8.772 1.00 2.46 O ATOM 967 OE2 GLU A 61 -12.906 9.912 8.996 1.00 2.36 O ATOM 0 H GLU A 61 -15.584 6.404 7.921 1.00 0.32 H new ATOM 0 HA GLU A 61 -16.924 6.707 10.532 1.00 0.42 H new ATOM 0 HB2 GLU A 61 -16.150 9.098 10.279 1.00 0.56 H new ATOM 0 HB3 GLU A 61 -14.893 7.902 10.526 1.00 0.56 H new ATOM 0 HG2 GLU A 61 -14.268 7.955 8.197 1.00 0.77 H new ATOM 0 HG3 GLU A 61 -15.670 8.919 7.778 1.00 0.77 H new ATOM 974 N LYS A 62 -18.538 6.873 8.072 1.00 0.46 N ATOM 975 CA LYS A 62 -19.772 7.252 7.404 1.00 0.53 C ATOM 976 C LYS A 62 -20.683 6.038 7.231 1.00 0.43 C ATOM 977 O LYS A 62 -20.316 5.058 6.587 1.00 0.41 O ATOM 978 CB LYS A 62 -19.478 7.919 6.065 1.00 0.70 C ATOM 979 CG LYS A 62 -18.242 7.381 5.363 1.00 0.62 C ATOM 980 CD LYS A 62 -17.969 8.150 4.085 1.00 0.76 C ATOM 981 CE LYS A 62 -17.496 9.564 4.379 1.00 0.72 C ATOM 982 NZ LYS A 62 -17.421 10.387 3.146 1.00 0.97 N ATOM 0 H LYS A 62 -18.198 5.943 7.829 1.00 0.46 H new ATOM 0 HA LYS A 62 -20.295 7.977 8.028 1.00 0.53 H new ATOM 0 HB2 LYS A 62 -20.340 7.790 5.410 1.00 0.70 H new ATOM 0 HB3 LYS A 62 -19.355 8.990 6.224 1.00 0.70 H new ATOM 0 HG2 LYS A 62 -17.381 7.454 6.027 1.00 0.62 H new ATOM 0 HG3 LYS A 62 -18.380 6.324 5.134 1.00 0.62 H new ATOM 0 HD2 LYS A 62 -17.214 7.627 3.498 1.00 0.76 H new ATOM 0 HD3 LYS A 62 -18.875 8.186 3.480 1.00 0.76 H new ATOM 0 HE2 LYS A 62 -18.176 10.034 5.089 1.00 0.72 H new ATOM 0 HE3 LYS A 62 -16.515 9.528 4.852 1.00 0.72 H new ATOM 0 HZ1 LYS A 62 -16.999 11.311 3.370 1.00 0.97 H new ATOM 0 HZ2 LYS A 62 -16.833 9.901 2.439 1.00 0.97 H new ATOM 0 HZ3 LYS A 62 -18.378 10.527 2.763 1.00 0.97 H new ATOM 996 N PRO A 63 -21.902 6.114 7.805 1.00 0.46 N ATOM 997 CA PRO A 63 -22.773 4.948 8.033 1.00 0.48 C ATOM 998 C PRO A 63 -23.113 4.152 6.776 1.00 0.42 C ATOM 999 O PRO A 63 -22.918 2.936 6.741 1.00 0.42 O ATOM 1000 CB PRO A 63 -24.045 5.552 8.635 1.00 0.65 C ATOM 1001 CG PRO A 63 -23.616 6.862 9.186 1.00 0.69 C ATOM 1002 CD PRO A 63 -22.543 7.360 8.264 1.00 0.59 C ATOM 0 HA PRO A 63 -22.269 4.223 8.672 1.00 0.48 H new ATOM 0 HB2 PRO A 63 -24.821 5.675 7.879 1.00 0.65 H new ATOM 0 HB3 PRO A 63 -24.458 4.911 9.414 1.00 0.65 H new ATOM 0 HG2 PRO A 63 -24.451 7.561 9.228 1.00 0.69 H new ATOM 0 HG3 PRO A 63 -23.239 6.754 10.203 1.00 0.69 H new ATOM 0 HD2 PRO A 63 -22.957 7.932 7.433 1.00 0.59 H new ATOM 0 HD3 PRO A 63 -21.837 8.012 8.779 1.00 0.59 H new ATOM 1010 N SER A 64 -23.620 4.840 5.759 1.00 0.43 N ATOM 1011 CA SER A 64 -24.102 4.182 4.545 1.00 0.46 C ATOM 1012 C SER A 64 -22.959 3.455 3.841 1.00 0.42 C ATOM 1013 O SER A 64 -23.111 2.316 3.392 1.00 0.43 O ATOM 1014 CB SER A 64 -24.752 5.211 3.606 1.00 0.57 C ATOM 1015 OG SER A 64 -25.352 4.594 2.478 1.00 1.46 O ATOM 0 H SER A 64 -23.709 5.856 5.749 1.00 0.43 H new ATOM 0 HA SER A 64 -24.854 3.444 4.823 1.00 0.46 H new ATOM 0 HB2 SER A 64 -25.506 5.777 4.154 1.00 0.57 H new ATOM 0 HB3 SER A 64 -23.998 5.924 3.272 1.00 0.57 H new ATOM 0 HG SER A 64 -26.011 5.203 2.084 1.00 1.46 H new ATOM 1021 N VAL A 65 -21.810 4.117 3.773 1.00 0.40 N ATOM 1022 CA VAL A 65 -20.618 3.540 3.169 1.00 0.39 C ATOM 1023 C VAL A 65 -20.210 2.259 3.892 1.00 0.34 C ATOM 1024 O VAL A 65 -19.981 1.224 3.259 1.00 0.33 O ATOM 1025 CB VAL A 65 -19.451 4.543 3.202 1.00 0.43 C ATOM 1026 CG1 VAL A 65 -18.190 3.939 2.606 1.00 0.53 C ATOM 1027 CG2 VAL A 65 -19.833 5.814 2.467 1.00 0.47 C ATOM 0 H VAL A 65 -21.680 5.063 4.133 1.00 0.40 H new ATOM 0 HA VAL A 65 -20.853 3.302 2.132 1.00 0.39 H new ATOM 0 HB VAL A 65 -19.242 4.788 4.243 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -17.383 4.671 2.643 1.00 0.53 H new ATOM 0 HG12 VAL A 65 -17.905 3.055 3.177 1.00 0.53 H new ATOM 0 HG13 VAL A 65 -18.376 3.657 1.570 1.00 0.53 H new ATOM 0 HG21 VAL A 65 -19.000 6.516 2.497 1.00 0.47 H new ATOM 0 HG22 VAL A 65 -20.071 5.577 1.430 1.00 0.47 H new ATOM 0 HG23 VAL A 65 -20.703 6.263 2.945 1.00 0.47 H new ATOM 1037 N VAL A 66 -20.142 2.328 5.217 1.00 0.34 N ATOM 1038 CA VAL A 66 -19.808 1.164 6.028 1.00 0.31 C ATOM 1039 C VAL A 66 -20.797 0.040 5.768 1.00 0.32 C ATOM 1040 O VAL A 66 -20.404 -1.078 5.443 1.00 0.33 O ATOM 1041 CB VAL A 66 -19.823 1.491 7.538 1.00 0.33 C ATOM 1042 CG1 VAL A 66 -19.430 0.275 8.363 1.00 0.35 C ATOM 1043 CG2 VAL A 66 -18.905 2.657 7.845 1.00 0.34 C ATOM 0 H VAL A 66 -20.314 3.179 5.752 1.00 0.34 H new ATOM 0 HA VAL A 66 -18.801 0.858 5.745 1.00 0.31 H new ATOM 0 HB VAL A 66 -20.841 1.772 7.809 1.00 0.33 H new ATOM 0 HG11 VAL A 66 -19.449 0.532 9.422 1.00 0.35 H new ATOM 0 HG12 VAL A 66 -20.134 -0.536 8.174 1.00 0.35 H new ATOM 0 HG13 VAL A 66 -18.426 -0.044 8.085 1.00 0.35 H new ATOM 0 HG21 VAL A 66 -18.932 2.869 8.914 1.00 0.34 H new ATOM 0 HG22 VAL A 66 -17.886 2.405 7.550 1.00 0.34 H new ATOM 0 HG23 VAL A 66 -19.236 3.536 7.292 1.00 0.34 H new ATOM 1053 N ALA A 67 -22.081 0.367 5.867 1.00 0.34 N ATOM 1054 CA ALA A 67 -23.142 -0.625 5.771 1.00 0.36 C ATOM 1055 C ALA A 67 -23.124 -1.365 4.440 1.00 0.32 C ATOM 1056 O ALA A 67 -23.453 -2.545 4.382 1.00 0.35 O ATOM 1057 CB ALA A 67 -24.493 0.030 5.987 1.00 0.41 C ATOM 0 H ALA A 67 -22.412 1.320 6.015 1.00 0.34 H new ATOM 0 HA ALA A 67 -22.966 -1.363 6.554 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -25.278 -0.722 5.913 1.00 0.41 H new ATOM 0 HB2 ALA A 67 -24.521 0.488 6.976 1.00 0.41 H new ATOM 0 HB3 ALA A 67 -24.652 0.796 5.228 1.00 0.41 H new ATOM 1063 N TYR A 68 -22.760 -0.674 3.372 1.00 0.28 N ATOM 1064 CA TYR A 68 -22.674 -1.309 2.064 1.00 0.27 C ATOM 1065 C TYR A 68 -21.514 -2.288 1.984 1.00 0.23 C ATOM 1066 O TYR A 68 -21.624 -3.336 1.351 1.00 0.27 O ATOM 1067 CB TYR A 68 -22.637 -0.274 0.947 1.00 0.29 C ATOM 1068 CG TYR A 68 -24.031 0.045 0.463 1.00 0.75 C ATOM 1069 CD1 TYR A 68 -24.803 1.021 1.080 1.00 1.46 C ATOM 1070 CD2 TYR A 68 -24.592 -0.667 -0.588 1.00 1.45 C ATOM 1071 CE1 TYR A 68 -26.092 1.283 0.656 1.00 1.88 C ATOM 1072 CE2 TYR A 68 -25.880 -0.415 -1.013 1.00 1.86 C ATOM 1073 CZ TYR A 68 -26.625 0.561 -0.390 1.00 1.81 C ATOM 1074 OH TYR A 68 -27.909 0.811 -0.813 1.00 2.35 O ATOM 0 H TYR A 68 -22.521 0.318 3.382 1.00 0.28 H new ATOM 0 HA TYR A 68 -23.582 -1.896 1.924 1.00 0.27 H new ATOM 0 HB2 TYR A 68 -22.155 0.636 1.304 1.00 0.29 H new ATOM 0 HB3 TYR A 68 -22.037 -0.649 0.118 1.00 0.29 H new ATOM 0 HD1 TYR A 68 -24.390 1.584 1.904 1.00 1.46 H new ATOM 0 HD2 TYR A 68 -24.010 -1.431 -1.082 1.00 1.45 H new ATOM 0 HE1 TYR A 68 -26.678 2.049 1.142 1.00 1.88 H new ATOM 0 HE2 TYR A 68 -26.302 -0.981 -1.831 1.00 1.86 H new ATOM 0 HH TYR A 68 -28.129 0.216 -1.560 1.00 2.35 H new ATOM 1084 N LEU A 69 -20.408 -1.949 2.625 1.00 0.20 N ATOM 1085 CA LEU A 69 -19.262 -2.847 2.680 1.00 0.19 C ATOM 1086 C LEU A 69 -19.612 -4.140 3.421 1.00 0.24 C ATOM 1087 O LEU A 69 -19.333 -5.238 2.942 1.00 0.27 O ATOM 1088 CB LEU A 69 -18.095 -2.156 3.387 1.00 0.22 C ATOM 1089 CG LEU A 69 -17.597 -0.887 2.715 1.00 0.25 C ATOM 1090 CD1 LEU A 69 -16.686 -0.102 3.643 1.00 0.33 C ATOM 1091 CD2 LEU A 69 -16.884 -1.214 1.416 1.00 0.29 C ATOM 0 H LEU A 69 -20.277 -1.063 3.113 1.00 0.20 H new ATOM 0 HA LEU A 69 -18.978 -3.098 1.658 1.00 0.19 H new ATOM 0 HB2 LEU A 69 -18.399 -1.915 4.406 1.00 0.22 H new ATOM 0 HB3 LEU A 69 -17.266 -2.860 3.460 1.00 0.22 H new ATOM 0 HG LEU A 69 -18.462 -0.265 2.485 1.00 0.25 H new ATOM 0 HD11 LEU A 69 -16.343 0.801 3.138 1.00 0.33 H new ATOM 0 HD12 LEU A 69 -17.234 0.172 4.545 1.00 0.33 H new ATOM 0 HD13 LEU A 69 -15.826 -0.715 3.913 1.00 0.33 H new ATOM 0 HD21 LEU A 69 -16.535 -0.292 0.950 1.00 0.29 H new ATOM 0 HD22 LEU A 69 -16.032 -1.862 1.622 1.00 0.29 H new ATOM 0 HD23 LEU A 69 -17.572 -1.723 0.741 1.00 0.29 H new ATOM 1103 N GLU A 70 -20.238 -4.010 4.579 1.00 0.31 N ATOM 1104 CA GLU A 70 -20.515 -5.165 5.430 1.00 0.43 C ATOM 1105 C GLU A 70 -21.782 -5.886 5.023 1.00 0.49 C ATOM 1106 O GLU A 70 -21.912 -7.099 5.193 1.00 0.60 O ATOM 1107 CB GLU A 70 -20.624 -4.740 6.886 1.00 0.55 C ATOM 1108 CG GLU A 70 -21.181 -3.342 7.075 1.00 0.49 C ATOM 1109 CD GLU A 70 -21.498 -3.025 8.521 1.00 0.62 C ATOM 1110 OE1 GLU A 70 -21.352 -3.918 9.373 1.00 1.26 O ATOM 1111 OE2 GLU A 70 -21.916 -1.885 8.809 1.00 1.25 O ATOM 0 H GLU A 70 -20.565 -3.120 4.954 1.00 0.31 H new ATOM 0 HA GLU A 70 -19.680 -5.854 5.307 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -21.260 -5.449 7.415 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -19.637 -4.793 7.345 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -20.461 -2.615 6.698 1.00 0.49 H new ATOM 0 HG3 GLU A 70 -22.086 -3.233 6.477 1.00 0.49 H new ATOM 1118 N GLY A 71 -22.708 -5.132 4.487 1.00 0.46 N ATOM 1119 CA GLY A 71 -23.994 -5.676 4.143 1.00 0.57 C ATOM 1120 C GLY A 71 -25.001 -5.497 5.260 1.00 0.69 C ATOM 1121 O GLY A 71 -25.512 -6.472 5.813 1.00 0.92 O ATOM 0 H GLY A 71 -22.594 -4.140 4.280 1.00 0.46 H new ATOM 0 HA2 GLY A 71 -24.364 -5.190 3.240 1.00 0.57 H new ATOM 0 HA3 GLY A 71 -23.890 -6.737 3.915 1.00 0.57 H new ATOM 1125 N LYS A 72 -25.264 -4.251 5.609 1.00 0.67 N ATOM 1126 CA LYS A 72 -26.214 -3.927 6.661 1.00 0.86 C ATOM 1127 C LYS A 72 -27.412 -3.187 6.082 1.00 0.88 C ATOM 1128 O LYS A 72 -27.514 -1.959 6.281 1.00 1.46 O ATOM 1129 CB LYS A 72 -25.532 -3.076 7.736 1.00 1.21 C ATOM 1130 CG LYS A 72 -24.570 -3.849 8.615 1.00 1.17 C ATOM 1131 CD LYS A 72 -25.291 -4.660 9.676 1.00 1.47 C ATOM 1132 CE LYS A 72 -24.317 -5.477 10.511 1.00 2.02 C ATOM 1133 NZ LYS A 72 -23.198 -4.653 11.050 1.00 2.81 N ATOM 1134 OXT LYS A 72 -28.242 -3.834 5.413 1.00 1.29 O ATOM 0 H LYS A 72 -24.828 -3.438 5.174 1.00 0.67 H new ATOM 0 HA LYS A 72 -26.567 -4.853 7.115 1.00 0.86 H new ATOM 0 HB2 LYS A 72 -24.992 -2.262 7.252 1.00 1.21 H new ATOM 0 HB3 LYS A 72 -26.297 -2.621 8.365 1.00 1.21 H new ATOM 0 HG2 LYS A 72 -23.970 -4.516 7.996 1.00 1.17 H new ATOM 0 HG3 LYS A 72 -23.881 -3.154 9.096 1.00 1.17 H new ATOM 0 HD2 LYS A 72 -25.856 -3.991 10.325 1.00 1.47 H new ATOM 0 HD3 LYS A 72 -26.011 -5.326 9.200 1.00 1.47 H new ATOM 0 HE2 LYS A 72 -24.853 -5.942 11.338 1.00 2.02 H new ATOM 0 HE3 LYS A 72 -23.909 -6.284 9.902 1.00 2.02 H new ATOM 0 HZ1 LYS A 72 -22.843 -5.082 11.929 1.00 2.81 H new ATOM 0 HZ2 LYS A 72 -22.430 -4.611 10.350 1.00 2.81 H new ATOM 0 HZ3 LYS A 72 -23.539 -3.691 11.248 1.00 2.81 H new TER 1148 LYS A 72 ATOM 1149 N GLY B -1 21.962 -21.331 -2.890 1.00 4.96 N ATOM 1150 CA GLY B -1 20.519 -21.136 -3.164 1.00 4.18 C ATOM 1151 C GLY B -1 20.254 -19.813 -3.849 1.00 3.25 C ATOM 1152 O GLY B -1 21.174 -19.188 -4.375 1.00 3.46 O ATOM 0 H1 GLY B -1 22.265 -22.252 -3.265 1.00 4.96 H new ATOM 0 H2 GLY B -1 22.508 -20.574 -3.349 1.00 4.96 H new ATOM 0 H3 GLY B -1 22.127 -21.304 -1.864 1.00 4.96 H new ATOM 0 HA2 GLY B -1 20.154 -21.950 -3.791 1.00 4.18 H new ATOM 0 HA3 GLY B -1 19.962 -21.180 -2.228 1.00 4.18 H new ATOM 1158 N ALA B 0 19.007 -19.376 -3.841 1.00 2.64 N ATOM 1159 CA ALA B 0 18.641 -18.128 -4.492 1.00 1.94 C ATOM 1160 C ALA B 0 17.802 -17.256 -3.568 1.00 1.54 C ATOM 1161 O ALA B 0 16.572 -17.237 -3.653 1.00 1.85 O ATOM 1162 CB ALA B 0 17.898 -18.411 -5.788 1.00 2.14 C ATOM 0 H ALA B 0 18.232 -19.864 -3.393 1.00 2.64 H new ATOM 0 HA ALA B 0 19.555 -17.581 -4.726 1.00 1.94 H new ATOM 0 HB1 ALA B 0 17.629 -17.469 -6.266 1.00 2.14 H new ATOM 0 HB2 ALA B 0 18.538 -18.988 -6.456 1.00 2.14 H new ATOM 0 HB3 ALA B 0 16.993 -18.979 -5.572 1.00 2.14 H new ATOM 1168 N MET B 1 18.472 -16.538 -2.681 1.00 1.29 N ATOM 1169 CA MET B 1 17.790 -15.648 -1.753 1.00 1.03 C ATOM 1170 C MET B 1 17.580 -14.280 -2.390 1.00 0.87 C ATOM 1171 O MET B 1 18.483 -13.731 -3.023 1.00 0.92 O ATOM 1172 CB MET B 1 18.574 -15.507 -0.440 1.00 1.33 C ATOM 1173 CG MET B 1 19.977 -14.939 -0.603 1.00 2.01 C ATOM 1174 SD MET B 1 20.830 -14.717 0.973 1.00 2.32 S ATOM 1175 CE MET B 1 20.879 -16.408 1.566 1.00 2.92 C ATOM 0 H MET B 1 19.487 -16.553 -2.583 1.00 1.29 H new ATOM 0 HA MET B 1 16.819 -16.085 -1.521 1.00 1.03 H new ATOM 0 HB2 MET B 1 18.012 -14.865 0.238 1.00 1.33 H new ATOM 0 HB3 MET B 1 18.644 -16.486 0.034 1.00 1.33 H new ATOM 0 HG2 MET B 1 20.562 -15.605 -1.237 1.00 2.01 H new ATOM 0 HG3 MET B 1 19.918 -13.980 -1.117 1.00 2.01 H new ATOM 0 HE1 MET B 1 21.830 -16.591 2.066 1.00 2.92 H new ATOM 0 HE2 MET B 1 20.062 -16.571 2.269 1.00 2.92 H new ATOM 0 HE3 MET B 1 20.774 -17.092 0.724 1.00 2.92 H new ATOM 1185 N PRO B 2 16.365 -13.734 -2.262 1.00 0.76 N ATOM 1186 CA PRO B 2 16.033 -12.402 -2.770 1.00 0.64 C ATOM 1187 C PRO B 2 16.777 -11.303 -2.020 1.00 0.58 C ATOM 1188 O PRO B 2 16.762 -11.257 -0.787 1.00 0.64 O ATOM 1189 CB PRO B 2 14.525 -12.290 -2.521 1.00 0.69 C ATOM 1190 CG PRO B 2 14.249 -13.252 -1.420 1.00 0.80 C ATOM 1191 CD PRO B 2 15.208 -14.385 -1.625 1.00 0.84 C ATOM 0 HA PRO B 2 16.314 -12.281 -3.816 1.00 0.64 H new ATOM 0 HB2 PRO B 2 14.245 -11.275 -2.239 1.00 0.69 H new ATOM 0 HB3 PRO B 2 13.957 -12.540 -3.417 1.00 0.69 H new ATOM 0 HG2 PRO B 2 14.396 -12.786 -0.446 1.00 0.80 H new ATOM 0 HG3 PRO B 2 13.217 -13.601 -1.454 1.00 0.80 H new ATOM 0 HD2 PRO B 2 15.481 -14.858 -0.681 1.00 0.84 H new ATOM 0 HD3 PRO B 2 14.783 -15.163 -2.260 1.00 0.84 H new ATOM 1199 N SER B 3 17.438 -10.431 -2.763 1.00 0.51 N ATOM 1200 CA SER B 3 18.144 -9.315 -2.165 1.00 0.47 C ATOM 1201 C SER B 3 17.169 -8.212 -1.756 1.00 0.40 C ATOM 1202 O SER B 3 15.976 -8.285 -2.064 1.00 0.37 O ATOM 1203 CB SER B 3 19.184 -8.761 -3.139 1.00 0.46 C ATOM 1204 OG SER B 3 20.125 -9.754 -3.512 1.00 0.59 O ATOM 0 H SER B 3 17.499 -10.476 -3.780 1.00 0.51 H new ATOM 0 HA SER B 3 18.653 -9.675 -1.271 1.00 0.47 H new ATOM 0 HB2 SER B 3 18.684 -8.379 -4.029 1.00 0.46 H new ATOM 0 HB3 SER B 3 19.703 -7.920 -2.679 1.00 0.46 H new ATOM 0 HG SER B 3 20.937 -9.324 -3.851 1.00 0.59 H new ATOM 1210 N LYS B 4 17.673 -7.199 -1.067 1.00 0.41 N ATOM 1211 CA LYS B 4 16.850 -6.073 -0.628 1.00 0.41 C ATOM 1212 C LYS B 4 16.078 -5.467 -1.804 1.00 0.29 C ATOM 1213 O LYS B 4 14.925 -5.060 -1.666 1.00 0.27 O ATOM 1214 CB LYS B 4 17.723 -4.982 0.006 1.00 0.54 C ATOM 1215 CG LYS B 4 18.924 -5.498 0.785 1.00 0.84 C ATOM 1216 CD LYS B 4 19.664 -4.366 1.472 1.00 0.95 C ATOM 1217 CE LYS B 4 19.068 -4.055 2.825 1.00 0.62 C ATOM 1218 NZ LYS B 4 19.341 -5.143 3.800 1.00 1.79 N ATOM 0 H LYS B 4 18.654 -7.130 -0.797 1.00 0.41 H new ATOM 0 HA LYS B 4 16.143 -6.452 0.110 1.00 0.41 H new ATOM 0 HB2 LYS B 4 18.077 -4.317 -0.781 1.00 0.54 H new ATOM 0 HB3 LYS B 4 17.104 -4.384 0.674 1.00 0.54 H new ATOM 0 HG2 LYS B 4 18.593 -6.223 1.529 1.00 0.84 H new ATOM 0 HG3 LYS B 4 19.601 -6.021 0.109 1.00 0.84 H new ATOM 0 HD2 LYS B 4 20.714 -4.634 1.589 1.00 0.95 H new ATOM 0 HD3 LYS B 4 19.631 -3.475 0.845 1.00 0.95 H new ATOM 0 HE2 LYS B 4 19.479 -3.117 3.199 1.00 0.62 H new ATOM 0 HE3 LYS B 4 17.992 -3.914 2.727 1.00 0.62 H new ATOM 0 HZ1 LYS B 4 18.450 -5.442 4.245 1.00 1.79 H new ATOM 0 HZ2 LYS B 4 19.770 -5.952 3.307 1.00 1.79 H new ATOM 0 HZ3 LYS B 4 19.994 -4.798 4.532 1.00 1.79 H new ATOM 1232 N LEU B 5 16.725 -5.424 -2.965 1.00 0.26 N ATOM 1233 CA LEU B 5 16.132 -4.831 -4.154 1.00 0.21 C ATOM 1234 C LEU B 5 15.002 -5.693 -4.695 1.00 0.18 C ATOM 1235 O LEU B 5 14.019 -5.175 -5.218 1.00 0.17 O ATOM 1236 CB LEU B 5 17.207 -4.571 -5.213 1.00 0.22 C ATOM 1237 CG LEU B 5 16.715 -4.036 -6.555 1.00 0.25 C ATOM 1238 CD1 LEU B 5 17.698 -3.020 -7.111 1.00 0.27 C ATOM 1239 CD2 LEU B 5 16.530 -5.172 -7.547 1.00 0.32 C ATOM 0 H LEU B 5 17.665 -5.795 -3.105 1.00 0.26 H new ATOM 0 HA LEU B 5 15.695 -3.871 -3.879 1.00 0.21 H new ATOM 0 HB2 LEU B 5 17.926 -3.861 -4.804 1.00 0.22 H new ATOM 0 HB3 LEU B 5 17.744 -5.502 -5.392 1.00 0.22 H new ATOM 0 HG LEU B 5 15.753 -3.549 -6.397 1.00 0.25 H new ATOM 0 HD11 LEU B 5 17.334 -2.647 -8.068 1.00 0.27 H new ATOM 0 HD12 LEU B 5 17.797 -2.189 -6.412 1.00 0.27 H new ATOM 0 HD13 LEU B 5 18.670 -3.493 -7.252 1.00 0.27 H new ATOM 0 HD21 LEU B 5 16.179 -4.771 -8.498 1.00 0.32 H new ATOM 0 HD22 LEU B 5 17.481 -5.682 -7.697 1.00 0.32 H new ATOM 0 HD23 LEU B 5 15.797 -5.879 -7.158 1.00 0.32 H new ATOM 1251 N ALA B 6 15.140 -7.004 -4.572 1.00 0.22 N ATOM 1252 CA ALA B 6 14.045 -7.903 -4.890 1.00 0.26 C ATOM 1253 C ALA B 6 12.799 -7.494 -4.113 1.00 0.24 C ATOM 1254 O ALA B 6 11.693 -7.501 -4.650 1.00 0.27 O ATOM 1255 CB ALA B 6 14.426 -9.343 -4.581 1.00 0.35 C ATOM 0 H ALA B 6 15.993 -7.465 -4.257 1.00 0.22 H new ATOM 0 HA ALA B 6 13.831 -7.835 -5.957 1.00 0.26 H new ATOM 0 HB1 ALA B 6 13.592 -10.001 -4.826 1.00 0.35 H new ATOM 0 HB2 ALA B 6 15.296 -9.624 -5.174 1.00 0.35 H new ATOM 0 HB3 ALA B 6 14.663 -9.437 -3.521 1.00 0.35 H new ATOM 1261 N LEU B 7 13.000 -7.097 -2.857 1.00 0.22 N ATOM 1262 CA LEU B 7 11.904 -6.629 -2.016 1.00 0.22 C ATOM 1263 C LEU B 7 11.363 -5.280 -2.493 1.00 0.18 C ATOM 1264 O LEU B 7 10.169 -5.142 -2.740 1.00 0.19 O ATOM 1265 CB LEU B 7 12.363 -6.478 -0.563 1.00 0.24 C ATOM 1266 CG LEU B 7 12.385 -7.751 0.287 1.00 0.29 C ATOM 1267 CD1 LEU B 7 13.375 -8.768 -0.257 1.00 0.31 C ATOM 1268 CD2 LEU B 7 12.722 -7.392 1.723 1.00 0.32 C ATOM 0 H LEU B 7 13.913 -7.091 -2.401 1.00 0.22 H new ATOM 0 HA LEU B 7 11.114 -7.376 -2.085 1.00 0.22 H new ATOM 0 HB2 LEU B 7 13.367 -6.053 -0.566 1.00 0.24 H new ATOM 0 HB3 LEU B 7 11.712 -5.754 -0.074 1.00 0.24 H new ATOM 0 HG LEU B 7 11.397 -8.210 0.249 1.00 0.29 H new ATOM 0 HD11 LEU B 7 13.364 -9.659 0.371 1.00 0.31 H new ATOM 0 HD12 LEU B 7 13.096 -9.039 -1.275 1.00 0.31 H new ATOM 0 HD13 LEU B 7 14.376 -8.337 -0.258 1.00 0.31 H new ATOM 0 HD21 LEU B 7 12.738 -8.297 2.330 1.00 0.32 H new ATOM 0 HD22 LEU B 7 13.701 -6.914 1.758 1.00 0.32 H new ATOM 0 HD23 LEU B 7 11.969 -6.707 2.113 1.00 0.32 H new ATOM 1280 N ILE B 8 12.245 -4.292 -2.629 1.00 0.16 N ATOM 1281 CA ILE B 8 11.827 -2.946 -3.029 1.00 0.15 C ATOM 1282 C ILE B 8 11.134 -2.945 -4.399 1.00 0.16 C ATOM 1283 O ILE B 8 10.201 -2.178 -4.624 1.00 0.18 O ATOM 1284 CB ILE B 8 12.998 -1.918 -2.984 1.00 0.16 C ATOM 1285 CG1 ILE B 8 14.198 -2.389 -3.793 1.00 0.19 C ATOM 1286 CG2 ILE B 8 13.404 -1.626 -1.547 1.00 0.16 C ATOM 1287 CD1 ILE B 8 14.228 -1.837 -5.200 1.00 0.23 C ATOM 0 H ILE B 8 13.247 -4.395 -2.470 1.00 0.16 H new ATOM 0 HA ILE B 8 11.094 -2.622 -2.290 1.00 0.15 H new ATOM 0 HB ILE B 8 12.637 -0.996 -3.440 1.00 0.16 H new ATOM 0 HG12 ILE B 8 15.112 -2.097 -3.276 1.00 0.19 H new ATOM 0 HG13 ILE B 8 14.192 -3.478 -3.838 1.00 0.19 H new ATOM 0 HG21 ILE B 8 14.223 -0.906 -1.539 1.00 0.16 H new ATOM 0 HG22 ILE B 8 12.553 -1.213 -1.005 1.00 0.16 H new ATOM 0 HG23 ILE B 8 13.728 -2.549 -1.066 1.00 0.16 H new ATOM 0 HD11 ILE B 8 15.109 -2.213 -5.720 1.00 0.23 H new ATOM 0 HD12 ILE B 8 13.331 -2.151 -5.733 1.00 0.23 H new ATOM 0 HD13 ILE B 8 14.266 -0.748 -5.163 1.00 0.23 H new ATOM 1299 N GLN B 9 11.576 -3.818 -5.303 1.00 0.16 N ATOM 1300 CA GLN B 9 10.959 -3.928 -6.624 1.00 0.20 C ATOM 1301 C GLN B 9 9.610 -4.650 -6.567 1.00 0.22 C ATOM 1302 O GLN B 9 8.712 -4.349 -7.350 1.00 0.25 O ATOM 1303 CB GLN B 9 11.885 -4.653 -7.606 1.00 0.22 C ATOM 1304 CG GLN B 9 13.096 -3.838 -8.034 1.00 0.27 C ATOM 1305 CD GLN B 9 12.720 -2.575 -8.789 1.00 0.99 C ATOM 1306 OE1 GLN B 9 12.527 -1.518 -8.196 1.00 1.94 O ATOM 1307 NE2 GLN B 9 12.618 -2.677 -10.105 1.00 1.38 N ATOM 0 H GLN B 9 12.356 -4.457 -5.146 1.00 0.16 H new ATOM 0 HA GLN B 9 10.789 -2.910 -6.975 1.00 0.20 H new ATOM 0 HB2 GLN B 9 12.228 -5.581 -7.148 1.00 0.22 H new ATOM 0 HB3 GLN B 9 11.313 -4.928 -8.493 1.00 0.22 H new ATOM 0 HG2 GLN B 9 13.677 -3.569 -7.152 1.00 0.27 H new ATOM 0 HG3 GLN B 9 13.739 -4.454 -8.663 1.00 0.27 H new ATOM 0 HE21 GLN B 9 12.786 -3.573 -10.562 1.00 1.38 H new ATOM 0 HE22 GLN B 9 12.371 -1.859 -10.662 1.00 1.38 H new ATOM 1316 N GLU B 10 9.477 -5.628 -5.674 1.00 0.23 N ATOM 1317 CA GLU B 10 8.232 -6.393 -5.563 1.00 0.27 C ATOM 1318 C GLU B 10 7.163 -5.641 -4.781 1.00 0.25 C ATOM 1319 O GLU B 10 5.986 -5.988 -4.861 1.00 0.28 O ATOM 1320 CB GLU B 10 8.465 -7.784 -4.959 1.00 0.31 C ATOM 1321 CG GLU B 10 8.781 -7.783 -3.474 1.00 0.31 C ATOM 1322 CD GLU B 10 8.950 -9.179 -2.916 1.00 0.39 C ATOM 1323 OE1 GLU B 10 7.926 -9.847 -2.659 1.00 1.09 O ATOM 1324 OE2 GLU B 10 10.099 -9.621 -2.733 1.00 1.23 O ATOM 0 H GLU B 10 10.208 -5.910 -5.021 1.00 0.23 H new ATOM 0 HA GLU B 10 7.865 -6.527 -6.581 1.00 0.27 H new ATOM 0 HB2 GLU B 10 7.576 -8.392 -5.128 1.00 0.31 H new ATOM 0 HB3 GLU B 10 9.286 -8.264 -5.492 1.00 0.31 H new ATOM 0 HG2 GLU B 10 9.694 -7.213 -3.301 1.00 0.31 H new ATOM 0 HG3 GLU B 10 7.981 -7.275 -2.936 1.00 0.31 H new ATOM 1331 N LEU B 11 7.580 -4.651 -3.994 1.00 0.22 N ATOM 1332 CA LEU B 11 6.642 -3.827 -3.226 1.00 0.21 C ATOM 1333 C LEU B 11 5.457 -3.366 -4.089 1.00 0.22 C ATOM 1334 O LEU B 11 4.313 -3.472 -3.655 1.00 0.21 O ATOM 1335 CB LEU B 11 7.340 -2.613 -2.603 1.00 0.21 C ATOM 1336 CG LEU B 11 8.469 -2.938 -1.628 1.00 0.19 C ATOM 1337 CD1 LEU B 11 9.017 -1.664 -1.017 1.00 0.21 C ATOM 1338 CD2 LEU B 11 7.993 -3.884 -0.537 1.00 0.19 C ATOM 0 H LEU B 11 8.560 -4.398 -3.870 1.00 0.22 H new ATOM 0 HA LEU B 11 6.258 -4.455 -2.422 1.00 0.21 H new ATOM 0 HB2 LEU B 11 7.742 -1.995 -3.405 1.00 0.21 H new ATOM 0 HB3 LEU B 11 6.594 -2.013 -2.082 1.00 0.21 H new ATOM 0 HG LEU B 11 9.265 -3.435 -2.183 1.00 0.19 H new ATOM 0 HD11 LEU B 11 9.821 -1.910 -0.324 1.00 0.21 H new ATOM 0 HD12 LEU B 11 9.403 -1.019 -1.806 1.00 0.21 H new ATOM 0 HD13 LEU B 11 8.222 -1.146 -0.481 1.00 0.21 H new ATOM 0 HD21 LEU B 11 8.817 -4.099 0.143 1.00 0.19 H new ATOM 0 HD22 LEU B 11 7.177 -3.420 0.017 1.00 0.19 H new ATOM 0 HD23 LEU B 11 7.643 -4.813 -0.988 1.00 0.19 H new ATOM 1350 N PRO B 12 5.699 -2.840 -5.316 1.00 0.23 N ATOM 1351 CA PRO B 12 4.621 -2.516 -6.257 1.00 0.26 C ATOM 1352 C PRO B 12 3.624 -3.659 -6.471 1.00 0.27 C ATOM 1353 O PRO B 12 2.412 -3.435 -6.471 1.00 0.29 O ATOM 1354 CB PRO B 12 5.366 -2.214 -7.557 1.00 0.32 C ATOM 1355 CG PRO B 12 6.681 -1.687 -7.112 1.00 0.29 C ATOM 1356 CD PRO B 12 7.018 -2.433 -5.851 1.00 0.24 C ATOM 0 HA PRO B 12 4.010 -1.694 -5.884 1.00 0.26 H new ATOM 0 HB2 PRO B 12 5.482 -3.110 -8.166 1.00 0.32 H new ATOM 0 HB3 PRO B 12 4.829 -1.484 -8.163 1.00 0.32 H new ATOM 0 HG2 PRO B 12 7.443 -1.845 -7.875 1.00 0.29 H new ATOM 0 HG3 PRO B 12 6.630 -0.614 -6.929 1.00 0.29 H new ATOM 0 HD2 PRO B 12 7.651 -3.297 -6.055 1.00 0.24 H new ATOM 0 HD3 PRO B 12 7.558 -1.802 -5.145 1.00 0.24 H new ATOM 1364 N ASP B 13 4.126 -4.877 -6.639 1.00 0.27 N ATOM 1365 CA ASP B 13 3.256 -6.031 -6.869 1.00 0.29 C ATOM 1366 C ASP B 13 2.503 -6.372 -5.591 1.00 0.26 C ATOM 1367 O ASP B 13 1.303 -6.651 -5.613 1.00 0.25 O ATOM 1368 CB ASP B 13 4.057 -7.255 -7.326 1.00 0.35 C ATOM 1369 CG ASP B 13 4.955 -6.974 -8.513 1.00 1.17 C ATOM 1370 OD1 ASP B 13 4.440 -6.722 -9.625 1.00 1.70 O ATOM 1371 OD2 ASP B 13 6.189 -7.026 -8.343 1.00 2.01 O ATOM 0 H ASP B 13 5.123 -5.093 -6.621 1.00 0.27 H new ATOM 0 HA ASP B 13 2.553 -5.766 -7.659 1.00 0.29 H new ATOM 0 HB2 ASP B 13 4.665 -7.613 -6.496 1.00 0.35 H new ATOM 0 HB3 ASP B 13 3.366 -8.057 -7.584 1.00 0.35 H new ATOM 1376 N ARG B 14 3.228 -6.352 -4.478 1.00 0.27 N ATOM 1377 CA ARG B 14 2.635 -6.572 -3.162 1.00 0.27 C ATOM 1378 C ARG B 14 1.516 -5.578 -2.884 1.00 0.24 C ATOM 1379 O ARG B 14 0.467 -5.951 -2.372 1.00 0.25 O ATOM 1380 CB ARG B 14 3.690 -6.470 -2.062 1.00 0.31 C ATOM 1381 CG ARG B 14 4.558 -7.704 -1.932 1.00 0.42 C ATOM 1382 CD ARG B 14 5.607 -7.525 -0.847 1.00 0.37 C ATOM 1383 NE ARG B 14 6.482 -8.692 -0.742 1.00 0.86 N ATOM 1384 CZ ARG B 14 6.731 -9.358 0.383 1.00 0.60 C ATOM 1385 NH1 ARG B 14 6.122 -9.031 1.517 1.00 1.20 N ATOM 1386 NH2 ARG B 14 7.582 -10.374 0.361 1.00 1.04 N ATOM 0 H ARG B 14 4.234 -6.185 -4.461 1.00 0.27 H new ATOM 0 HA ARG B 14 2.217 -7.579 -3.164 1.00 0.27 H new ATOM 0 HB2 ARG B 14 4.327 -5.608 -2.261 1.00 0.31 H new ATOM 0 HB3 ARG B 14 3.192 -6.285 -1.110 1.00 0.31 H new ATOM 0 HG2 ARG B 14 3.935 -8.568 -1.700 1.00 0.42 H new ATOM 0 HG3 ARG B 14 5.047 -7.910 -2.884 1.00 0.42 H new ATOM 0 HD2 ARG B 14 6.205 -6.640 -1.062 1.00 0.37 H new ATOM 0 HD3 ARG B 14 5.115 -7.352 0.110 1.00 0.37 H new ATOM 0 HE ARG B 14 6.935 -9.020 -1.595 1.00 0.86 H new ATOM 0 HH11 ARG B 14 5.454 -8.261 1.533 1.00 1.20 H new ATOM 0 HH12 ARG B 14 6.323 -9.550 2.372 1.00 1.20 H new ATOM 0 HH21 ARG B 14 8.038 -10.638 -0.512 1.00 1.04 H new ATOM 0 HH22 ARG B 14 7.780 -10.892 1.217 1.00 1.04 H new ATOM 1400 N ILE B 15 1.741 -4.320 -3.224 1.00 0.22 N ATOM 1401 CA ILE B 15 0.751 -3.280 -2.991 1.00 0.22 C ATOM 1402 C ILE B 15 -0.414 -3.410 -3.971 1.00 0.21 C ATOM 1403 O ILE B 15 -1.555 -3.102 -3.636 1.00 0.21 O ATOM 1404 CB ILE B 15 1.395 -1.871 -3.047 1.00 0.23 C ATOM 1405 CG1 ILE B 15 1.055 -1.088 -1.772 1.00 0.26 C ATOM 1406 CG2 ILE B 15 0.978 -1.093 -4.290 1.00 0.21 C ATOM 1407 CD1 ILE B 15 -0.401 -0.685 -1.655 1.00 0.29 C ATOM 0 H ILE B 15 2.602 -3.993 -3.663 1.00 0.22 H new ATOM 0 HA ILE B 15 0.351 -3.411 -1.986 1.00 0.22 H new ATOM 0 HB ILE B 15 2.475 -2.004 -3.108 1.00 0.23 H new ATOM 0 HG12 ILE B 15 1.323 -1.694 -0.906 1.00 0.26 H new ATOM 0 HG13 ILE B 15 1.672 -0.190 -1.736 1.00 0.26 H new ATOM 0 HG21 ILE B 15 1.455 -0.113 -4.283 1.00 0.21 H new ATOM 0 HG22 ILE B 15 1.285 -1.640 -5.182 1.00 0.21 H new ATOM 0 HG23 ILE B 15 -0.105 -0.969 -4.295 1.00 0.21 H new ATOM 0 HD11 ILE B 15 -0.553 -0.136 -0.725 1.00 0.29 H new ATOM 0 HD12 ILE B 15 -0.672 -0.051 -2.499 1.00 0.29 H new ATOM 0 HD13 ILE B 15 -1.027 -1.577 -1.656 1.00 0.29 H new ATOM 1419 N GLN B 16 -0.126 -3.892 -5.174 1.00 0.22 N ATOM 1420 CA GLN B 16 -1.171 -4.209 -6.138 1.00 0.24 C ATOM 1421 C GLN B 16 -2.056 -5.317 -5.572 1.00 0.23 C ATOM 1422 O GLN B 16 -3.259 -5.369 -5.821 1.00 0.25 O ATOM 1423 CB GLN B 16 -0.548 -4.646 -7.465 1.00 0.29 C ATOM 1424 CG GLN B 16 -1.562 -4.937 -8.558 1.00 0.92 C ATOM 1425 CD GLN B 16 -0.912 -5.429 -9.836 1.00 1.21 C ATOM 1426 OE1 GLN B 16 0.139 -6.069 -9.807 1.00 1.80 O ATOM 1427 NE2 GLN B 16 -1.529 -5.129 -10.965 1.00 1.82 N ATOM 0 H GLN B 16 0.822 -4.072 -5.505 1.00 0.22 H new ATOM 0 HA GLN B 16 -1.779 -3.323 -6.322 1.00 0.24 H new ATOM 0 HB2 GLN B 16 0.130 -3.865 -7.811 1.00 0.29 H new ATOM 0 HB3 GLN B 16 0.054 -5.539 -7.295 1.00 0.29 H new ATOM 0 HG2 GLN B 16 -2.270 -5.686 -8.203 1.00 0.92 H new ATOM 0 HG3 GLN B 16 -2.133 -4.033 -8.769 1.00 0.92 H new ATOM 0 HE21 GLN B 16 -2.399 -4.596 -10.945 1.00 1.82 H new ATOM 0 HE22 GLN B 16 -1.136 -5.430 -11.857 1.00 1.82 H new ATOM 1436 N THR B 17 -1.439 -6.183 -4.786 1.00 0.24 N ATOM 1437 CA THR B 17 -2.138 -7.269 -4.126 1.00 0.26 C ATOM 1438 C THR B 17 -2.805 -6.779 -2.845 1.00 0.24 C ATOM 1439 O THR B 17 -3.792 -7.347 -2.382 1.00 0.34 O ATOM 1440 CB THR B 17 -1.161 -8.416 -3.809 1.00 0.31 C ATOM 1441 OG1 THR B 17 -0.403 -8.735 -4.983 1.00 0.32 O ATOM 1442 CG2 THR B 17 -1.893 -9.658 -3.326 1.00 0.43 C ATOM 0 H THR B 17 -0.439 -6.152 -4.588 1.00 0.24 H new ATOM 0 HA THR B 17 -2.911 -7.639 -4.799 1.00 0.26 H new ATOM 0 HB THR B 17 -0.498 -8.083 -3.010 1.00 0.31 H new ATOM 0 HG1 THR B 17 0.230 -8.011 -5.170 1.00 0.32 H new ATOM 0 HG21 THR B 17 -1.171 -10.446 -3.112 1.00 0.43 H new ATOM 0 HG22 THR B 17 -2.451 -9.422 -2.420 1.00 0.43 H new ATOM 0 HG23 THR B 17 -2.582 -9.998 -4.099 1.00 0.43 H new ATOM 1450 N ALA B 18 -2.267 -5.715 -2.278 1.00 0.20 N ATOM 1451 CA ALA B 18 -2.844 -5.113 -1.095 1.00 0.21 C ATOM 1452 C ALA B 18 -4.161 -4.452 -1.448 1.00 0.19 C ATOM 1453 O ALA B 18 -5.066 -4.357 -0.625 1.00 0.25 O ATOM 1454 CB ALA B 18 -1.884 -4.099 -0.492 1.00 0.26 C ATOM 0 H ALA B 18 -1.427 -5.249 -2.621 1.00 0.20 H new ATOM 0 HA ALA B 18 -3.026 -5.891 -0.354 1.00 0.21 H new ATOM 0 HB1 ALA B 18 -2.334 -3.656 0.397 1.00 0.26 H new ATOM 0 HB2 ALA B 18 -0.954 -4.597 -0.218 1.00 0.26 H new ATOM 0 HB3 ALA B 18 -1.676 -3.317 -1.222 1.00 0.26 H new ATOM 1460 N VAL B 19 -4.262 -4.016 -2.694 1.00 0.19 N ATOM 1461 CA VAL B 19 -5.410 -3.249 -3.134 1.00 0.24 C ATOM 1462 C VAL B 19 -6.385 -4.044 -4.001 1.00 0.25 C ATOM 1463 O VAL B 19 -7.548 -3.663 -4.108 1.00 0.32 O ATOM 1464 CB VAL B 19 -4.967 -2.001 -3.915 1.00 0.45 C ATOM 1465 CG1 VAL B 19 -3.995 -1.170 -3.095 1.00 1.06 C ATOM 1466 CG2 VAL B 19 -4.355 -2.399 -5.247 1.00 1.78 C ATOM 0 H VAL B 19 -3.561 -4.182 -3.416 1.00 0.19 H new ATOM 0 HA VAL B 19 -5.933 -2.967 -2.220 1.00 0.24 H new ATOM 0 HB VAL B 19 -5.846 -1.388 -4.114 1.00 0.45 H new ATOM 0 HG11 VAL B 19 -3.695 -0.292 -3.667 1.00 1.06 H new ATOM 0 HG12 VAL B 19 -4.477 -0.853 -2.170 1.00 1.06 H new ATOM 0 HG13 VAL B 19 -3.115 -1.768 -2.859 1.00 1.06 H new ATOM 0 HG21 VAL B 19 -4.047 -1.504 -5.788 1.00 1.78 H new ATOM 0 HG22 VAL B 19 -3.487 -3.035 -5.073 1.00 1.78 H new ATOM 0 HG23 VAL B 19 -5.092 -2.944 -5.838 1.00 1.78 H new ATOM 1476 N GLU B 20 -5.919 -5.142 -4.601 1.00 0.24 N ATOM 1477 CA GLU B 20 -6.714 -5.885 -5.591 1.00 0.31 C ATOM 1478 C GLU B 20 -8.127 -6.182 -5.091 1.00 0.31 C ATOM 1479 O GLU B 20 -9.098 -6.050 -5.836 1.00 0.33 O ATOM 1480 CB GLU B 20 -6.020 -7.198 -5.959 1.00 0.40 C ATOM 1481 CG GLU B 20 -5.637 -8.041 -4.757 1.00 0.42 C ATOM 1482 CD GLU B 20 -5.450 -9.505 -5.091 1.00 0.92 C ATOM 1483 OE1 GLU B 20 -5.227 -9.831 -6.275 1.00 1.66 O ATOM 1484 OE2 GLU B 20 -5.538 -10.337 -4.162 1.00 1.61 O ATOM 0 H GLU B 20 -4.997 -5.539 -4.421 1.00 0.24 H new ATOM 0 HA GLU B 20 -6.794 -5.249 -6.473 1.00 0.31 H new ATOM 0 HB2 GLU B 20 -6.679 -7.779 -6.604 1.00 0.40 H new ATOM 0 HB3 GLU B 20 -5.123 -6.975 -6.537 1.00 0.40 H new ATOM 0 HG2 GLU B 20 -4.714 -7.652 -4.328 1.00 0.42 H new ATOM 0 HG3 GLU B 20 -6.409 -7.945 -3.993 1.00 0.42 H new ATOM 1491 N ALA B 21 -8.219 -6.578 -3.833 1.00 0.31 N ATOM 1492 CA ALA B 21 -9.504 -6.888 -3.221 1.00 0.33 C ATOM 1493 C ALA B 21 -10.474 -5.706 -3.326 1.00 0.27 C ATOM 1494 O ALA B 21 -11.570 -5.838 -3.873 1.00 0.26 O ATOM 1495 CB ALA B 21 -9.305 -7.281 -1.766 1.00 0.38 C ATOM 0 H ALA B 21 -7.418 -6.693 -3.212 1.00 0.31 H new ATOM 0 HA ALA B 21 -9.943 -7.726 -3.762 1.00 0.33 H new ATOM 0 HB1 ALA B 21 -10.271 -7.511 -1.316 1.00 0.38 H new ATOM 0 HB2 ALA B 21 -8.661 -8.158 -1.711 1.00 0.38 H new ATOM 0 HB3 ALA B 21 -8.841 -6.456 -1.226 1.00 0.38 H new ATOM 1501 N ALA B 22 -10.048 -4.548 -2.843 1.00 0.27 N ATOM 1502 CA ALA B 22 -10.893 -3.358 -2.835 1.00 0.27 C ATOM 1503 C ALA B 22 -11.011 -2.717 -4.218 1.00 0.27 C ATOM 1504 O ALA B 22 -12.001 -2.055 -4.523 1.00 0.31 O ATOM 1505 CB ALA B 22 -10.401 -2.355 -1.815 1.00 0.33 C ATOM 0 H ALA B 22 -9.118 -4.405 -2.449 1.00 0.27 H new ATOM 0 HA ALA B 22 -11.894 -3.681 -2.550 1.00 0.27 H new ATOM 0 HB1 ALA B 22 -11.047 -1.477 -1.828 1.00 0.33 H new ATOM 0 HB2 ALA B 22 -10.421 -2.806 -0.823 1.00 0.33 H new ATOM 0 HB3 ALA B 22 -9.381 -2.059 -2.059 1.00 0.33 H new ATOM 1511 N MET B 23 -9.981 -2.855 -5.034 1.00 0.28 N ATOM 1512 CA MET B 23 -10.023 -2.315 -6.387 1.00 0.32 C ATOM 1513 C MET B 23 -11.012 -3.104 -7.234 1.00 0.33 C ATOM 1514 O MET B 23 -11.822 -2.526 -7.960 1.00 0.37 O ATOM 1515 CB MET B 23 -8.633 -2.327 -7.022 1.00 0.35 C ATOM 1516 CG MET B 23 -7.622 -1.483 -6.263 1.00 0.41 C ATOM 1517 SD MET B 23 -6.978 -0.106 -7.228 1.00 0.76 S ATOM 1518 CE MET B 23 -8.402 0.973 -7.250 1.00 0.77 C ATOM 0 H MET B 23 -9.112 -3.331 -4.790 1.00 0.28 H new ATOM 0 HA MET B 23 -10.357 -1.279 -6.337 1.00 0.32 H new ATOM 0 HB2 MET B 23 -8.273 -3.355 -7.074 1.00 0.35 H new ATOM 0 HB3 MET B 23 -8.705 -1.962 -8.047 1.00 0.35 H new ATOM 0 HG2 MET B 23 -8.089 -1.096 -5.357 1.00 0.41 H new ATOM 0 HG3 MET B 23 -6.793 -2.117 -5.949 1.00 0.41 H new ATOM 0 HE1 MET B 23 -8.129 1.926 -7.703 1.00 0.77 H new ATOM 0 HE2 MET B 23 -9.200 0.510 -7.831 1.00 0.77 H new ATOM 0 HE3 MET B 23 -8.747 1.142 -6.230 1.00 0.77 H new ATOM 1528 N GLY B 24 -10.957 -4.426 -7.116 1.00 0.34 N ATOM 1529 CA GLY B 24 -11.910 -5.283 -7.800 1.00 0.39 C ATOM 1530 C GLY B 24 -13.303 -5.227 -7.191 1.00 0.43 C ATOM 1531 O GLY B 24 -14.206 -5.943 -7.632 1.00 0.63 O ATOM 0 H GLY B 24 -10.265 -4.923 -6.555 1.00 0.34 H new ATOM 0 HA2 GLY B 24 -11.966 -4.991 -8.849 1.00 0.39 H new ATOM 0 HA3 GLY B 24 -11.549 -6.311 -7.774 1.00 0.39 H new ATOM 1535 N MET B 25 -13.472 -4.390 -6.169 1.00 0.42 N ATOM 1536 CA MET B 25 -14.774 -4.164 -5.555 1.00 0.46 C ATOM 1537 C MET B 25 -15.742 -3.610 -6.585 1.00 0.44 C ATOM 1538 O MET B 25 -15.413 -2.695 -7.338 1.00 0.48 O ATOM 1539 CB MET B 25 -14.647 -3.187 -4.392 1.00 0.59 C ATOM 1540 CG MET B 25 -15.914 -3.050 -3.578 1.00 0.60 C ATOM 1541 SD MET B 25 -15.682 -3.549 -1.870 1.00 0.99 S ATOM 1542 CE MET B 25 -14.843 -2.109 -1.232 1.00 0.45 C ATOM 0 H MET B 25 -12.714 -3.854 -5.747 1.00 0.42 H new ATOM 0 HA MET B 25 -15.153 -5.114 -5.179 1.00 0.46 H new ATOM 0 HB2 MET B 25 -13.839 -3.515 -3.739 1.00 0.59 H new ATOM 0 HB3 MET B 25 -14.366 -2.208 -4.780 1.00 0.59 H new ATOM 0 HG2 MET B 25 -16.253 -2.015 -3.609 1.00 0.60 H new ATOM 0 HG3 MET B 25 -16.700 -3.656 -4.028 1.00 0.60 H new ATOM 0 HE1 MET B 25 -14.829 -2.149 -0.143 1.00 0.45 H new ATOM 0 HE2 MET B 25 -13.820 -2.088 -1.608 1.00 0.45 H new ATOM 0 HE3 MET B 25 -15.367 -1.210 -1.555 1.00 0.45 H new ATOM 1552 N SER B 26 -16.930 -4.189 -6.615 1.00 0.51 N ATOM 1553 CA SER B 26 -17.953 -3.802 -7.565 1.00 0.60 C ATOM 1554 C SER B 26 -18.487 -2.401 -7.292 1.00 0.83 C ATOM 1555 O SER B 26 -18.425 -1.531 -8.154 1.00 1.79 O ATOM 1556 CB SER B 26 -19.077 -4.826 -7.522 1.00 0.63 C ATOM 1557 OG SER B 26 -19.318 -5.239 -6.185 1.00 1.43 O ATOM 0 H SER B 26 -17.210 -4.938 -5.982 1.00 0.51 H new ATOM 0 HA SER B 26 -17.511 -3.778 -8.561 1.00 0.60 H new ATOM 0 HB2 SER B 26 -19.985 -4.397 -7.946 1.00 0.63 H new ATOM 0 HB3 SER B 26 -18.815 -5.689 -8.135 1.00 0.63 H new ATOM 0 HG SER B 26 -20.242 -5.025 -5.938 1.00 1.43 H new ATOM 1563 N TYR B 27 -19.031 -2.228 -6.084 1.00 0.48 N ATOM 1564 CA TYR B 27 -19.503 -0.943 -5.539 1.00 0.47 C ATOM 1565 C TYR B 27 -20.503 -0.212 -6.446 1.00 0.48 C ATOM 1566 O TYR B 27 -20.869 0.924 -6.165 1.00 0.54 O ATOM 1567 CB TYR B 27 -18.324 -0.017 -5.137 1.00 0.47 C ATOM 1568 CG TYR B 27 -17.609 0.709 -6.272 1.00 0.42 C ATOM 1569 CD1 TYR B 27 -18.091 1.917 -6.762 1.00 1.36 C ATOM 1570 CD2 TYR B 27 -16.452 0.192 -6.845 1.00 1.16 C ATOM 1571 CE1 TYR B 27 -17.452 2.586 -7.782 1.00 1.39 C ATOM 1572 CE2 TYR B 27 -15.806 0.858 -7.868 1.00 1.18 C ATOM 1573 CZ TYR B 27 -16.312 2.053 -8.334 1.00 0.54 C ATOM 1574 OH TYR B 27 -15.672 2.722 -9.352 1.00 0.68 O ATOM 0 H TYR B 27 -19.161 -3.002 -5.433 1.00 0.48 H new ATOM 0 HA TYR B 27 -20.055 -1.201 -4.635 1.00 0.47 H new ATOM 0 HB2 TYR B 27 -18.700 0.730 -4.438 1.00 0.47 H new ATOM 0 HB3 TYR B 27 -17.589 -0.615 -4.599 1.00 0.47 H new ATOM 0 HD1 TYR B 27 -18.987 2.341 -6.333 1.00 1.36 H new ATOM 0 HD2 TYR B 27 -16.053 -0.744 -6.485 1.00 1.16 H new ATOM 0 HE1 TYR B 27 -17.844 3.524 -8.146 1.00 1.39 H new ATOM 0 HE2 TYR B 27 -14.908 0.444 -8.302 1.00 1.18 H new ATOM 0 HH TYR B 27 -14.882 2.214 -9.631 1.00 0.68 H new ATOM 1584 N GLN B 28 -20.980 -0.869 -7.496 1.00 0.53 N ATOM 1585 CA GLN B 28 -21.944 -0.247 -8.396 1.00 0.62 C ATOM 1586 C GLN B 28 -23.308 -0.229 -7.752 1.00 0.70 C ATOM 1587 O GLN B 28 -24.043 0.755 -7.854 1.00 0.86 O ATOM 1588 CB GLN B 28 -22.036 -0.993 -9.724 1.00 0.72 C ATOM 1589 CG GLN B 28 -20.709 -1.143 -10.422 1.00 1.34 C ATOM 1590 CD GLN B 28 -20.080 0.192 -10.768 1.00 1.67 C ATOM 1591 OE1 GLN B 28 -19.303 0.746 -9.992 1.00 2.14 O ATOM 1592 NE2 GLN B 28 -20.413 0.722 -11.932 1.00 2.12 N ATOM 0 H GLN B 28 -20.719 -1.823 -7.744 1.00 0.53 H new ATOM 0 HA GLN B 28 -21.603 0.770 -8.592 1.00 0.62 H new ATOM 0 HB2 GLN B 28 -22.459 -1.982 -9.548 1.00 0.72 H new ATOM 0 HB3 GLN B 28 -22.726 -0.464 -10.382 1.00 0.72 H new ATOM 0 HG2 GLN B 28 -20.028 -1.707 -9.784 1.00 1.34 H new ATOM 0 HG3 GLN B 28 -20.846 -1.724 -11.334 1.00 1.34 H new ATOM 0 HE21 GLN B 28 -21.061 0.232 -12.549 1.00 2.12 H new ATOM 0 HE22 GLN B 28 -20.022 1.621 -12.214 1.00 2.12 H new ATOM 1601 N ASP B 29 -23.640 -1.321 -7.077 1.00 0.69 N ATOM 1602 CA ASP B 29 -24.947 -1.452 -6.465 1.00 0.84 C ATOM 1603 C ASP B 29 -24.960 -0.764 -5.103 1.00 0.69 C ATOM 1604 O ASP B 29 -25.305 -1.353 -4.080 1.00 0.84 O ATOM 1605 CB ASP B 29 -25.357 -2.922 -6.340 1.00 1.06 C ATOM 1606 CG ASP B 29 -26.835 -3.088 -6.026 1.00 1.87 C ATOM 1607 OD1 ASP B 29 -27.675 -2.615 -6.823 1.00 2.56 O ATOM 1608 OD2 ASP B 29 -27.167 -3.695 -4.984 1.00 2.58 O ATOM 0 H ASP B 29 -23.024 -2.122 -6.942 1.00 0.69 H new ATOM 0 HA ASP B 29 -25.678 -0.963 -7.109 1.00 0.84 H new ATOM 0 HB2 ASP B 29 -25.126 -3.441 -7.270 1.00 1.06 H new ATOM 0 HB3 ASP B 29 -24.767 -3.395 -5.556 1.00 1.06 H new ATOM 1613 N ALA B 30 -24.532 0.480 -5.110 1.00 0.68 N ATOM 1614 CA ALA B 30 -24.528 1.324 -3.935 1.00 0.53 C ATOM 1615 C ALA B 30 -24.818 2.745 -4.381 1.00 0.54 C ATOM 1616 O ALA B 30 -24.524 3.089 -5.528 1.00 0.64 O ATOM 1617 CB ALA B 30 -23.176 1.240 -3.232 1.00 0.46 C ATOM 0 H ALA B 30 -24.171 0.941 -5.946 1.00 0.68 H new ATOM 0 HA ALA B 30 -25.288 0.997 -3.226 1.00 0.53 H new ATOM 0 HB1 ALA B 30 -23.185 1.879 -2.349 1.00 0.46 H new ATOM 0 HB2 ALA B 30 -22.985 0.210 -2.932 1.00 0.46 H new ATOM 0 HB3 ALA B 30 -22.391 1.571 -3.912 1.00 0.46 H new ATOM 1623 N PRO B 31 -25.433 3.581 -3.521 1.00 0.53 N ATOM 1624 CA PRO B 31 -25.664 4.982 -3.841 1.00 0.63 C ATOM 1625 C PRO B 31 -24.437 5.631 -4.428 1.00 0.53 C ATOM 1626 O PRO B 31 -23.322 5.466 -3.935 1.00 0.45 O ATOM 1627 CB PRO B 31 -25.971 5.612 -2.500 1.00 0.71 C ATOM 1628 CG PRO B 31 -26.602 4.520 -1.713 1.00 0.62 C ATOM 1629 CD PRO B 31 -25.973 3.232 -2.197 1.00 0.51 C ATOM 0 HA PRO B 31 -26.457 5.101 -4.579 1.00 0.63 H new ATOM 0 HB2 PRO B 31 -25.065 5.978 -2.016 1.00 0.71 H new ATOM 0 HB3 PRO B 31 -26.642 6.464 -2.606 1.00 0.71 H new ATOM 0 HG2 PRO B 31 -26.430 4.660 -0.646 1.00 0.62 H new ATOM 0 HG3 PRO B 31 -27.682 4.506 -1.863 1.00 0.62 H new ATOM 0 HD2 PRO B 31 -25.188 2.892 -1.522 1.00 0.51 H new ATOM 0 HD3 PRO B 31 -26.707 2.429 -2.263 1.00 0.51 H new ATOM 1637 N ASN B 32 -24.684 6.367 -5.487 1.00 0.61 N ATOM 1638 CA ASN B 32 -23.652 7.026 -6.256 1.00 0.62 C ATOM 1639 C ASN B 32 -22.638 7.767 -5.388 1.00 0.59 C ATOM 1640 O ASN B 32 -21.452 7.733 -5.685 1.00 0.63 O ATOM 1641 CB ASN B 32 -24.285 7.985 -7.262 1.00 0.73 C ATOM 1642 CG ASN B 32 -25.435 8.800 -6.688 1.00 1.57 C ATOM 1643 OD1 ASN B 32 -25.470 9.107 -5.496 1.00 2.37 O ATOM 1644 ND2 ASN B 32 -26.389 9.153 -7.532 1.00 2.04 N ATOM 0 H ASN B 32 -25.625 6.528 -5.845 1.00 0.61 H new ATOM 0 HA ASN B 32 -23.101 6.245 -6.780 1.00 0.62 H new ATOM 0 HB2 ASN B 32 -23.519 8.665 -7.634 1.00 0.73 H new ATOM 0 HB3 ASN B 32 -24.647 7.414 -8.117 1.00 0.73 H new ATOM 0 HD21 ASN B 32 -27.186 9.697 -7.202 1.00 2.04 H new ATOM 0 HD22 ASN B 32 -26.328 8.881 -8.513 1.00 2.04 H new ATOM 1651 N ASN B 33 -23.086 8.430 -4.323 1.00 0.60 N ATOM 1652 CA ASN B 33 -22.161 9.175 -3.472 1.00 0.61 C ATOM 1653 C ASN B 33 -21.393 8.257 -2.513 1.00 0.53 C ATOM 1654 O ASN B 33 -20.217 8.489 -2.249 1.00 0.50 O ATOM 1655 CB ASN B 33 -22.860 10.303 -2.696 1.00 0.72 C ATOM 1656 CG ASN B 33 -23.673 9.819 -1.504 1.00 1.57 C ATOM 1657 OD1 ASN B 33 -23.133 9.597 -0.422 1.00 2.34 O ATOM 1658 ND2 ASN B 33 -24.979 9.703 -1.676 1.00 2.16 N ATOM 0 H ASN B 33 -24.063 8.467 -4.033 1.00 0.60 H new ATOM 0 HA ASN B 33 -21.439 9.636 -4.146 1.00 0.61 H new ATOM 0 HB2 ASN B 33 -22.108 11.011 -2.347 1.00 0.72 H new ATOM 0 HB3 ASN B 33 -23.517 10.845 -3.376 1.00 0.72 H new ATOM 0 HD21 ASN B 33 -25.573 9.421 -0.896 1.00 2.16 H new ATOM 0 HD22 ASN B 33 -25.392 9.895 -2.588 1.00 2.16 H new ATOM 1665 N VAL B 34 -22.040 7.209 -2.001 1.00 0.50 N ATOM 1666 CA VAL B 34 -21.367 6.295 -1.074 1.00 0.50 C ATOM 1667 C VAL B 34 -20.387 5.424 -1.842 1.00 0.43 C ATOM 1668 O VAL B 34 -19.290 5.128 -1.378 1.00 0.44 O ATOM 1669 CB VAL B 34 -22.350 5.426 -0.250 1.00 0.61 C ATOM 1670 CG1 VAL B 34 -23.490 6.277 0.272 1.00 1.42 C ATOM 1671 CG2 VAL B 34 -22.879 4.239 -1.039 1.00 0.59 C ATOM 0 H VAL B 34 -23.011 6.974 -2.207 1.00 0.50 H new ATOM 0 HA VAL B 34 -20.830 6.906 -0.348 1.00 0.50 H new ATOM 0 HB VAL B 34 -21.794 5.018 0.594 1.00 0.61 H new ATOM 0 HG11 VAL B 34 -24.174 5.655 0.849 1.00 1.42 H new ATOM 0 HG12 VAL B 34 -23.092 7.067 0.909 1.00 1.42 H new ATOM 0 HG13 VAL B 34 -24.025 6.722 -0.567 1.00 1.42 H new ATOM 0 HG21 VAL B 34 -23.563 3.663 -0.415 1.00 0.59 H new ATOM 0 HG22 VAL B 34 -23.407 4.596 -1.923 1.00 0.59 H new ATOM 0 HG23 VAL B 34 -22.047 3.605 -1.345 1.00 0.59 H new ATOM 1681 N ARG B 35 -20.789 5.040 -3.041 1.00 0.43 N ATOM 1682 CA ARG B 35 -19.931 4.289 -3.922 1.00 0.44 C ATOM 1683 C ARG B 35 -18.829 5.199 -4.437 1.00 0.39 C ATOM 1684 O ARG B 35 -17.744 4.746 -4.763 1.00 0.42 O ATOM 1685 CB ARG B 35 -20.732 3.657 -5.053 1.00 0.51 C ATOM 1686 CG ARG B 35 -21.074 4.581 -6.210 1.00 0.52 C ATOM 1687 CD ARG B 35 -21.936 3.863 -7.226 1.00 0.59 C ATOM 1688 NE ARG B 35 -22.077 4.603 -8.476 1.00 1.08 N ATOM 1689 CZ ARG B 35 -23.170 4.562 -9.229 1.00 1.34 C ATOM 1690 NH1 ARG B 35 -24.246 3.912 -8.803 1.00 1.49 N ATOM 1691 NH2 ARG B 35 -23.187 5.172 -10.405 1.00 2.15 N ATOM 0 H ARG B 35 -21.713 5.241 -3.423 1.00 0.43 H new ATOM 0 HA ARG B 35 -19.470 3.467 -3.374 1.00 0.44 H new ATOM 0 HB2 ARG B 35 -20.170 2.809 -5.443 1.00 0.51 H new ATOM 0 HB3 ARG B 35 -21.660 3.262 -4.640 1.00 0.51 H new ATOM 0 HG2 ARG B 35 -21.598 5.461 -5.837 1.00 0.52 H new ATOM 0 HG3 ARG B 35 -20.158 4.933 -6.685 1.00 0.52 H new ATOM 0 HD2 ARG B 35 -21.503 2.885 -7.436 1.00 0.59 H new ATOM 0 HD3 ARG B 35 -22.924 3.690 -6.799 1.00 0.59 H new ATOM 0 HE ARG B 35 -21.296 5.181 -8.787 1.00 1.08 H new ATOM 0 HH11 ARG B 35 -24.234 3.444 -7.897 1.00 1.49 H new ATOM 0 HH12 ARG B 35 -25.085 3.881 -9.382 1.00 1.49 H new ATOM 0 HH21 ARG B 35 -22.361 5.673 -10.732 1.00 2.15 H new ATOM 0 HH22 ARG B 35 -24.026 5.141 -10.984 1.00 2.15 H new ATOM 1705 N ARG B 36 -19.141 6.487 -4.548 1.00 0.38 N ATOM 1706 CA ARG B 36 -18.124 7.507 -4.772 1.00 0.36 C ATOM 1707 C ARG B 36 -17.119 7.541 -3.636 1.00 0.34 C ATOM 1708 O ARG B 36 -16.004 7.972 -3.831 1.00 0.33 O ATOM 1709 CB ARG B 36 -18.714 8.893 -4.947 1.00 0.41 C ATOM 1710 CG ARG B 36 -18.784 9.370 -6.389 1.00 0.57 C ATOM 1711 CD ARG B 36 -18.875 8.219 -7.378 1.00 0.75 C ATOM 1712 NE ARG B 36 -19.225 8.683 -8.718 1.00 1.40 N ATOM 1713 CZ ARG B 36 -18.776 8.135 -9.844 1.00 2.09 C ATOM 1714 NH1 ARG B 36 -17.938 7.104 -9.802 1.00 2.45 N ATOM 1715 NH2 ARG B 36 -19.150 8.631 -11.013 1.00 2.88 N ATOM 0 H ARG B 36 -20.093 6.849 -4.486 1.00 0.38 H new ATOM 0 HA ARG B 36 -17.624 7.228 -5.700 1.00 0.36 H new ATOM 0 HB2 ARG B 36 -19.719 8.902 -4.525 1.00 0.41 H new ATOM 0 HB3 ARG B 36 -18.120 9.603 -4.371 1.00 0.41 H new ATOM 0 HG2 ARG B 36 -19.650 10.020 -6.512 1.00 0.57 H new ATOM 0 HG3 ARG B 36 -17.902 9.969 -6.614 1.00 0.57 H new ATOM 0 HD2 ARG B 36 -17.921 7.693 -7.413 1.00 0.75 H new ATOM 0 HD3 ARG B 36 -19.621 7.503 -7.035 1.00 0.75 H new ATOM 0 HE ARG B 36 -19.856 9.481 -8.796 1.00 1.40 H new ATOM 0 HH11 ARG B 36 -17.636 6.729 -8.903 1.00 2.45 H new ATOM 0 HH12 ARG B 36 -17.597 6.688 -10.669 1.00 2.45 H new ATOM 0 HH21 ARG B 36 -19.781 9.432 -11.049 1.00 2.88 H new ATOM 0 HH22 ARG B 36 -18.807 8.213 -11.878 1.00 2.88 H new ATOM 1729 N ASP B 37 -17.527 7.184 -2.430 1.00 0.34 N ATOM 1730 CA ASP B 37 -16.563 7.066 -1.341 1.00 0.34 C ATOM 1731 C ASP B 37 -15.638 5.889 -1.610 1.00 0.28 C ATOM 1732 O ASP B 37 -14.458 5.920 -1.262 1.00 0.29 O ATOM 1733 CB ASP B 37 -17.240 6.936 0.024 1.00 0.38 C ATOM 1734 CG ASP B 37 -17.724 8.271 0.550 1.00 0.75 C ATOM 1735 OD1 ASP B 37 -16.875 9.117 0.910 1.00 1.39 O ATOM 1736 OD2 ASP B 37 -18.953 8.487 0.613 1.00 1.47 O ATOM 0 H ASP B 37 -18.493 6.975 -2.180 1.00 0.34 H new ATOM 0 HA ASP B 37 -15.978 7.985 -1.305 1.00 0.34 H new ATOM 0 HB2 ASP B 37 -18.084 6.250 -0.054 1.00 0.38 H new ATOM 0 HB3 ASP B 37 -16.539 6.499 0.735 1.00 0.38 H new ATOM 1741 N LEU B 38 -16.175 4.857 -2.258 1.00 0.26 N ATOM 1742 CA LEU B 38 -15.337 3.791 -2.802 1.00 0.24 C ATOM 1743 C LEU B 38 -14.544 4.321 -3.994 1.00 0.23 C ATOM 1744 O LEU B 38 -13.484 3.801 -4.322 1.00 0.22 O ATOM 1745 CB LEU B 38 -16.158 2.576 -3.257 1.00 0.33 C ATOM 1746 CG LEU B 38 -16.782 1.710 -2.162 1.00 0.30 C ATOM 1747 CD1 LEU B 38 -15.862 1.585 -0.973 1.00 0.61 C ATOM 1748 CD2 LEU B 38 -18.115 2.263 -1.739 1.00 0.49 C ATOM 0 H LEU B 38 -17.175 4.737 -2.418 1.00 0.26 H new ATOM 0 HA LEU B 38 -14.670 3.467 -2.003 1.00 0.24 H new ATOM 0 HB2 LEU B 38 -16.959 2.932 -3.905 1.00 0.33 H new ATOM 0 HB3 LEU B 38 -15.514 1.941 -3.865 1.00 0.33 H new ATOM 0 HG LEU B 38 -16.936 0.713 -2.576 1.00 0.30 H new ATOM 0 HD11 LEU B 38 -16.334 0.964 -0.212 1.00 0.61 H new ATOM 0 HD12 LEU B 38 -14.924 1.126 -1.286 1.00 0.61 H new ATOM 0 HD13 LEU B 38 -15.663 2.574 -0.561 1.00 0.61 H new ATOM 0 HD21 LEU B 38 -18.540 1.631 -0.959 1.00 0.49 H new ATOM 0 HD22 LEU B 38 -17.984 3.275 -1.355 1.00 0.49 H new ATOM 0 HD23 LEU B 38 -18.788 2.285 -2.596 1.00 0.49 H new ATOM 1760 N ASP B 39 -15.090 5.337 -4.657 1.00 0.25 N ATOM 1761 CA ASP B 39 -14.404 6.005 -5.759 1.00 0.26 C ATOM 1762 C ASP B 39 -13.229 6.817 -5.227 1.00 0.24 C ATOM 1763 O ASP B 39 -12.156 6.847 -5.825 1.00 0.25 O ATOM 1764 CB ASP B 39 -15.361 6.899 -6.544 1.00 0.30 C ATOM 1765 CG ASP B 39 -14.746 7.427 -7.822 1.00 0.82 C ATOM 1766 OD1 ASP B 39 -14.115 8.500 -7.789 1.00 1.50 O ATOM 1767 OD2 ASP B 39 -14.909 6.774 -8.875 1.00 1.53 O ATOM 0 H ASP B 39 -16.013 5.718 -4.448 1.00 0.25 H new ATOM 0 HA ASP B 39 -14.028 5.242 -6.440 1.00 0.26 H new ATOM 0 HB2 ASP B 39 -16.263 6.337 -6.784 1.00 0.30 H new ATOM 0 HB3 ASP B 39 -15.665 7.738 -5.918 1.00 0.30 H new ATOM 1772 N ASN B 40 -13.443 7.453 -4.084 1.00 0.25 N ATOM 1773 CA ASN B 40 -12.397 8.168 -3.373 1.00 0.24 C ATOM 1774 C ASN B 40 -11.388 7.174 -2.843 1.00 0.24 C ATOM 1775 O ASN B 40 -10.187 7.430 -2.852 1.00 0.26 O ATOM 1776 CB ASN B 40 -12.982 8.990 -2.216 1.00 0.26 C ATOM 1777 CG ASN B 40 -13.767 10.199 -2.685 1.00 0.65 C ATOM 1778 OD1 ASN B 40 -13.454 10.800 -3.714 1.00 1.10 O ATOM 1779 ND2 ASN B 40 -14.787 10.569 -1.926 1.00 1.29 N ATOM 0 H ASN B 40 -14.352 7.487 -3.623 1.00 0.25 H new ATOM 0 HA ASN B 40 -11.910 8.857 -4.063 1.00 0.24 H new ATOM 0 HB2 ASN B 40 -13.632 8.352 -1.617 1.00 0.26 H new ATOM 0 HB3 ASN B 40 -12.172 9.320 -1.566 1.00 0.26 H new ATOM 0 HD21 ASN B 40 -15.348 11.380 -2.186 1.00 1.29 H new ATOM 0 HD22 ASN B 40 -15.012 10.043 -1.082 1.00 1.29 H new ATOM 1786 N LEU B 41 -11.889 6.033 -2.374 1.00 0.25 N ATOM 1787 CA LEU B 41 -11.031 4.919 -2.012 1.00 0.28 C ATOM 1788 C LEU B 41 -10.190 4.533 -3.218 1.00 0.30 C ATOM 1789 O LEU B 41 -8.989 4.379 -3.119 1.00 0.37 O ATOM 1790 CB LEU B 41 -11.852 3.714 -1.549 1.00 0.29 C ATOM 1791 CG LEU B 41 -11.022 2.487 -1.163 1.00 0.47 C ATOM 1792 CD1 LEU B 41 -10.151 2.791 0.048 1.00 0.36 C ATOM 1793 CD2 LEU B 41 -11.923 1.292 -0.896 1.00 1.04 C ATOM 0 H LEU B 41 -12.885 5.861 -2.238 1.00 0.25 H new ATOM 0 HA LEU B 41 -10.390 5.225 -1.186 1.00 0.28 H new ATOM 0 HB2 LEU B 41 -12.457 4.011 -0.692 1.00 0.29 H new ATOM 0 HB3 LEU B 41 -12.542 3.434 -2.345 1.00 0.29 H new ATOM 0 HG LEU B 41 -10.368 2.237 -1.998 1.00 0.47 H new ATOM 0 HD11 LEU B 41 -9.568 1.907 0.308 1.00 0.36 H new ATOM 0 HD12 LEU B 41 -9.477 3.615 -0.186 1.00 0.36 H new ATOM 0 HD13 LEU B 41 -10.784 3.069 0.891 1.00 0.36 H new ATOM 0 HD21 LEU B 41 -11.313 0.430 -0.623 1.00 1.04 H new ATOM 0 HD22 LEU B 41 -12.606 1.526 -0.079 1.00 1.04 H new ATOM 0 HD23 LEU B 41 -12.497 1.061 -1.794 1.00 1.04 H new ATOM 1805 N HIS B 42 -10.838 4.426 -4.366 1.00 0.27 N ATOM 1806 CA HIS B 42 -10.169 4.056 -5.604 1.00 0.32 C ATOM 1807 C HIS B 42 -9.164 5.108 -6.035 1.00 0.38 C ATOM 1808 O HIS B 42 -8.181 4.790 -6.685 1.00 0.58 O ATOM 1809 CB HIS B 42 -11.192 3.790 -6.711 1.00 0.32 C ATOM 1810 CG HIS B 42 -11.712 2.394 -6.666 1.00 0.33 C ATOM 1811 ND1 HIS B 42 -12.260 1.741 -7.748 1.00 0.40 N ATOM 1812 CD2 HIS B 42 -11.736 1.513 -5.645 1.00 0.33 C ATOM 1813 CE1 HIS B 42 -12.598 0.515 -7.392 1.00 0.44 C ATOM 1814 NE2 HIS B 42 -12.291 0.352 -6.116 1.00 0.39 N ATOM 0 H HIS B 42 -11.839 4.592 -4.467 1.00 0.27 H new ATOM 0 HA HIS B 42 -9.615 3.136 -5.418 1.00 0.32 H new ATOM 0 HB2 HIS B 42 -12.022 4.490 -6.613 1.00 0.32 H new ATOM 0 HB3 HIS B 42 -10.732 3.975 -7.682 1.00 0.32 H new ATOM 0 HD2 HIS B 42 -11.382 1.690 -4.640 1.00 0.33 H new ATOM 0 HE1 HIS B 42 -13.048 -0.228 -8.034 1.00 0.44 H new ATOM 0 HE2 HIS B 42 -12.442 -0.498 -5.572 1.00 0.39 H new ATOM 1823 N ALA B 43 -9.414 6.356 -5.686 1.00 0.33 N ATOM 1824 CA ALA B 43 -8.472 7.413 -5.997 1.00 0.37 C ATOM 1825 C ALA B 43 -7.287 7.387 -5.033 1.00 0.38 C ATOM 1826 O ALA B 43 -6.137 7.377 -5.457 1.00 0.39 O ATOM 1827 CB ALA B 43 -9.163 8.768 -5.957 1.00 0.42 C ATOM 0 H ALA B 43 -10.253 6.660 -5.192 1.00 0.33 H new ATOM 0 HA ALA B 43 -8.092 7.246 -7.005 1.00 0.37 H new ATOM 0 HB1 ALA B 43 -8.442 9.551 -6.193 1.00 0.42 H new ATOM 0 HB2 ALA B 43 -9.971 8.786 -6.689 1.00 0.42 H new ATOM 0 HB3 ALA B 43 -9.572 8.939 -4.961 1.00 0.42 H new ATOM 1833 N CYS B 44 -7.573 7.354 -3.737 1.00 0.38 N ATOM 1834 CA CYS B 44 -6.528 7.396 -2.724 1.00 0.40 C ATOM 1835 C CYS B 44 -5.773 6.075 -2.590 1.00 0.35 C ATOM 1836 O CYS B 44 -4.554 6.072 -2.486 1.00 0.35 O ATOM 1837 CB CYS B 44 -7.089 7.844 -1.384 1.00 0.46 C ATOM 1838 SG CYS B 44 -5.958 7.649 0.013 1.00 1.64 S ATOM 0 H CYS B 44 -8.521 7.298 -3.364 1.00 0.38 H new ATOM 0 HA CYS B 44 -5.799 8.133 -3.061 1.00 0.40 H new ATOM 0 HB2 CYS B 44 -7.375 8.893 -1.458 1.00 0.46 H new ATOM 0 HB3 CYS B 44 -7.998 7.279 -1.179 1.00 0.46 H new ATOM 0 HG CYS B 44 -6.537 8.062 1.101 1.00 1.64 H new ATOM 1844 N LEU B 45 -6.488 4.958 -2.590 1.00 0.32 N ATOM 1845 CA LEU B 45 -5.853 3.642 -2.497 1.00 0.29 C ATOM 1846 C LEU B 45 -4.898 3.457 -3.666 1.00 0.28 C ATOM 1847 O LEU B 45 -3.779 2.967 -3.519 1.00 0.32 O ATOM 1848 CB LEU B 45 -6.920 2.539 -2.521 1.00 0.27 C ATOM 1849 CG LEU B 45 -6.414 1.113 -2.323 1.00 0.80 C ATOM 1850 CD1 LEU B 45 -5.816 0.946 -0.937 1.00 0.66 C ATOM 1851 CD2 LEU B 45 -7.546 0.119 -2.537 1.00 1.77 C ATOM 0 H LEU B 45 -7.506 4.932 -2.653 1.00 0.32 H new ATOM 0 HA LEU B 45 -5.300 3.577 -1.560 1.00 0.29 H new ATOM 0 HB2 LEU B 45 -7.654 2.754 -1.744 1.00 0.27 H new ATOM 0 HB3 LEU B 45 -7.443 2.588 -3.476 1.00 0.27 H new ATOM 0 HG LEU B 45 -5.634 0.917 -3.058 1.00 0.80 H new ATOM 0 HD11 LEU B 45 -5.461 -0.077 -0.815 1.00 0.66 H new ATOM 0 HD12 LEU B 45 -4.982 1.637 -0.815 1.00 0.66 H new ATOM 0 HD13 LEU B 45 -6.576 1.159 -0.185 1.00 0.66 H new ATOM 0 HD21 LEU B 45 -7.172 -0.895 -2.393 1.00 1.77 H new ATOM 0 HD22 LEU B 45 -8.344 0.317 -1.821 1.00 1.77 H new ATOM 0 HD23 LEU B 45 -7.934 0.222 -3.550 1.00 1.77 H new ATOM 1863 N ASN B 46 -5.353 3.896 -4.823 1.00 0.28 N ATOM 1864 CA ASN B 46 -4.591 3.786 -6.049 1.00 0.33 C ATOM 1865 C ASN B 46 -3.474 4.833 -6.104 1.00 0.36 C ATOM 1866 O ASN B 46 -2.399 4.572 -6.645 1.00 0.47 O ATOM 1867 CB ASN B 46 -5.556 3.885 -7.239 1.00 0.35 C ATOM 1868 CG ASN B 46 -4.902 4.258 -8.560 1.00 0.45 C ATOM 1869 OD1 ASN B 46 -3.808 3.798 -8.891 1.00 1.14 O ATOM 1870 ND2 ASN B 46 -5.578 5.099 -9.325 1.00 0.98 N ATOM 0 H ASN B 46 -6.264 4.340 -4.939 1.00 0.28 H new ATOM 0 HA ASN B 46 -4.091 2.818 -6.091 1.00 0.33 H new ATOM 0 HB2 ASN B 46 -6.063 2.928 -7.358 1.00 0.35 H new ATOM 0 HB3 ASN B 46 -6.322 4.625 -7.007 1.00 0.35 H new ATOM 0 HD21 ASN B 46 -5.196 5.389 -10.225 1.00 0.98 H new ATOM 0 HD22 ASN B 46 -6.481 5.457 -9.015 1.00 0.98 H new ATOM 1877 N LYS B 47 -3.677 5.986 -5.471 1.00 0.35 N ATOM 1878 CA LYS B 47 -2.648 7.021 -5.480 1.00 0.37 C ATOM 1879 C LYS B 47 -1.583 6.665 -4.461 1.00 0.36 C ATOM 1880 O LYS B 47 -0.415 6.984 -4.636 1.00 0.35 O ATOM 1881 CB LYS B 47 -3.232 8.406 -5.178 1.00 0.44 C ATOM 1882 CG LYS B 47 -3.485 8.683 -3.707 1.00 0.92 C ATOM 1883 CD LYS B 47 -4.301 9.948 -3.523 1.00 0.81 C ATOM 1884 CE LYS B 47 -3.530 11.180 -3.967 1.00 1.08 C ATOM 1885 NZ LYS B 47 -4.380 12.398 -3.970 1.00 1.51 N ATOM 0 H LYS B 47 -4.525 6.224 -4.956 1.00 0.35 H new ATOM 0 HA LYS B 47 -2.211 7.067 -6.477 1.00 0.37 H new ATOM 0 HB2 LYS B 47 -2.551 9.164 -5.564 1.00 0.44 H new ATOM 0 HB3 LYS B 47 -4.171 8.515 -5.721 1.00 0.44 H new ATOM 0 HG2 LYS B 47 -4.010 7.839 -3.260 1.00 0.92 H new ATOM 0 HG3 LYS B 47 -2.534 8.780 -3.183 1.00 0.92 H new ATOM 0 HD2 LYS B 47 -5.226 9.871 -4.094 1.00 0.81 H new ATOM 0 HD3 LYS B 47 -4.581 10.052 -2.475 1.00 0.81 H new ATOM 0 HE2 LYS B 47 -2.679 11.334 -3.303 1.00 1.08 H new ATOM 0 HE3 LYS B 47 -3.129 11.016 -4.967 1.00 1.08 H new ATOM 0 HZ1 LYS B 47 -3.815 13.215 -4.279 1.00 1.51 H new ATOM 0 HZ2 LYS B 47 -5.178 12.263 -4.623 1.00 1.51 H new ATOM 0 HZ3 LYS B 47 -4.742 12.571 -3.011 1.00 1.51 H new ATOM 1899 N ALA B 48 -2.002 5.981 -3.401 1.00 0.40 N ATOM 1900 CA ALA B 48 -1.087 5.493 -2.387 1.00 0.41 C ATOM 1901 C ALA B 48 -0.201 4.416 -2.979 1.00 0.38 C ATOM 1902 O ALA B 48 0.969 4.303 -2.624 1.00 0.37 O ATOM 1903 CB ALA B 48 -1.846 4.961 -1.187 1.00 0.49 C ATOM 0 H ALA B 48 -2.981 5.753 -3.225 1.00 0.40 H new ATOM 0 HA ALA B 48 -0.464 6.320 -2.047 1.00 0.41 H new ATOM 0 HB1 ALA B 48 -1.139 4.601 -0.440 1.00 0.49 H new ATOM 0 HB2 ALA B 48 -2.453 5.758 -0.758 1.00 0.49 H new ATOM 0 HB3 ALA B 48 -2.493 4.141 -1.500 1.00 0.49 H new ATOM 1909 N LYS B 49 -0.752 3.653 -3.921 1.00 0.39 N ATOM 1910 CA LYS B 49 0.041 2.669 -4.638 1.00 0.40 C ATOM 1911 C LYS B 49 1.135 3.381 -5.399 1.00 0.44 C ATOM 1912 O LYS B 49 2.268 2.933 -5.441 1.00 0.53 O ATOM 1913 CB LYS B 49 -0.800 1.891 -5.646 1.00 0.38 C ATOM 1914 CG LYS B 49 -1.831 0.968 -5.042 1.00 0.32 C ATOM 1915 CD LYS B 49 -2.409 0.061 -6.110 1.00 0.31 C ATOM 1916 CE LYS B 49 -3.384 0.800 -7.013 1.00 0.35 C ATOM 1917 NZ LYS B 49 -3.734 0.016 -8.225 1.00 0.93 N ATOM 0 H LYS B 49 -1.732 3.699 -4.200 1.00 0.39 H new ATOM 0 HA LYS B 49 0.448 1.972 -3.906 1.00 0.40 H new ATOM 0 HB2 LYS B 49 -1.308 2.602 -6.297 1.00 0.38 H new ATOM 0 HB3 LYS B 49 -0.133 1.303 -6.276 1.00 0.38 H new ATOM 0 HG2 LYS B 49 -1.376 0.369 -4.253 1.00 0.32 H new ATOM 0 HG3 LYS B 49 -2.627 1.552 -4.580 1.00 0.32 H new ATOM 0 HD2 LYS B 49 -1.600 -0.354 -6.711 1.00 0.31 H new ATOM 0 HD3 LYS B 49 -2.917 -0.779 -5.637 1.00 0.31 H new ATOM 0 HE2 LYS B 49 -4.292 1.027 -6.455 1.00 0.35 H new ATOM 0 HE3 LYS B 49 -2.948 1.753 -7.313 1.00 0.35 H new ATOM 0 HZ1 LYS B 49 -3.519 0.576 -9.075 1.00 0.93 H new ATOM 0 HZ2 LYS B 49 -3.180 -0.864 -8.241 1.00 0.93 H new ATOM 0 HZ3 LYS B 49 -4.748 -0.213 -8.209 1.00 0.93 H new ATOM 1931 N LEU B 50 0.756 4.489 -6.015 1.00 0.40 N ATOM 1932 CA LEU B 50 1.651 5.262 -6.858 1.00 0.45 C ATOM 1933 C LEU B 50 2.634 6.117 -6.077 1.00 0.39 C ATOM 1934 O LEU B 50 3.730 6.388 -6.559 1.00 0.41 O ATOM 1935 CB LEU B 50 0.849 6.096 -7.833 1.00 0.54 C ATOM 1936 CG LEU B 50 0.594 5.379 -9.151 1.00 1.03 C ATOM 1937 CD1 LEU B 50 -0.322 4.187 -8.960 1.00 2.10 C ATOM 1938 CD2 LEU B 50 0.032 6.322 -10.174 1.00 0.71 C ATOM 0 H LEU B 50 -0.184 4.878 -5.944 1.00 0.40 H new ATOM 0 HA LEU B 50 2.263 4.549 -7.410 1.00 0.45 H new ATOM 0 HB2 LEU B 50 -0.105 6.361 -7.378 1.00 0.54 H new ATOM 0 HB3 LEU B 50 1.379 7.028 -8.028 1.00 0.54 H new ATOM 0 HG LEU B 50 1.552 5.010 -9.517 1.00 1.03 H new ATOM 0 HD11 LEU B 50 -0.485 3.696 -9.919 1.00 2.10 H new ATOM 0 HD12 LEU B 50 0.137 3.483 -8.265 1.00 2.10 H new ATOM 0 HD13 LEU B 50 -1.278 4.523 -8.558 1.00 2.10 H new ATOM 0 HD21 LEU B 50 -0.141 5.786 -11.107 1.00 0.71 H new ATOM 0 HD22 LEU B 50 -0.910 6.733 -9.811 1.00 0.71 H new ATOM 0 HD23 LEU B 50 0.739 7.133 -10.348 1.00 0.71 H new ATOM 1950 N THR B 51 2.258 6.565 -4.891 1.00 0.36 N ATOM 1951 CA THR B 51 3.215 7.236 -4.029 1.00 0.36 C ATOM 1952 C THR B 51 4.327 6.260 -3.695 1.00 0.33 C ATOM 1953 O THR B 51 5.491 6.625 -3.593 1.00 0.35 O ATOM 1954 CB THR B 51 2.565 7.779 -2.739 1.00 0.39 C ATOM 1955 OG1 THR B 51 1.987 6.721 -1.963 1.00 0.46 O ATOM 1956 CG2 THR B 51 1.493 8.790 -3.087 1.00 0.42 C ATOM 0 H THR B 51 1.316 6.479 -4.509 1.00 0.36 H new ATOM 0 HA THR B 51 3.613 8.101 -4.560 1.00 0.36 H new ATOM 0 HB THR B 51 3.345 8.256 -2.146 1.00 0.39 H new ATOM 0 HG1 THR B 51 1.769 5.967 -2.549 1.00 0.46 H new ATOM 0 HG21 THR B 51 1.039 9.169 -2.171 1.00 0.42 H new ATOM 0 HG22 THR B 51 1.939 9.617 -3.640 1.00 0.42 H new ATOM 0 HG23 THR B 51 0.729 8.313 -3.701 1.00 0.42 H new ATOM 1964 N VAL B 52 3.935 5.002 -3.569 1.00 0.30 N ATOM 1965 CA VAL B 52 4.861 3.901 -3.402 1.00 0.28 C ATOM 1966 C VAL B 52 5.539 3.579 -4.733 1.00 0.28 C ATOM 1967 O VAL B 52 6.721 3.246 -4.776 1.00 0.29 O ATOM 1968 CB VAL B 52 4.104 2.673 -2.834 1.00 0.29 C ATOM 1969 CG1 VAL B 52 4.980 1.442 -2.729 1.00 0.31 C ATOM 1970 CG2 VAL B 52 3.514 3.004 -1.475 1.00 0.33 C ATOM 0 H VAL B 52 2.956 4.717 -3.580 1.00 0.30 H new ATOM 0 HA VAL B 52 5.642 4.178 -2.694 1.00 0.28 H new ATOM 0 HB VAL B 52 3.305 2.441 -3.539 1.00 0.29 H new ATOM 0 HG11 VAL B 52 4.397 0.614 -2.325 1.00 0.31 H new ATOM 0 HG12 VAL B 52 5.353 1.175 -3.718 1.00 0.31 H new ATOM 0 HG13 VAL B 52 5.821 1.650 -2.068 1.00 0.31 H new ATOM 0 HG21 VAL B 52 2.985 2.134 -1.086 1.00 0.33 H new ATOM 0 HG22 VAL B 52 4.314 3.279 -0.788 1.00 0.33 H new ATOM 0 HG23 VAL B 52 2.818 3.837 -1.574 1.00 0.33 H new ATOM 1980 N GLY B 53 4.778 3.721 -5.814 1.00 0.35 N ATOM 1981 CA GLY B 53 5.298 3.508 -7.146 1.00 0.43 C ATOM 1982 C GLY B 53 6.453 4.429 -7.419 1.00 0.39 C ATOM 1983 O GLY B 53 7.531 4.016 -7.860 1.00 0.39 O ATOM 0 H GLY B 53 3.793 3.985 -5.785 1.00 0.35 H new ATOM 0 HA2 GLY B 53 5.619 2.472 -7.255 1.00 0.43 H new ATOM 0 HA3 GLY B 53 4.510 3.677 -7.880 1.00 0.43 H new ATOM 1987 N ARG B 54 6.232 5.686 -7.108 1.00 0.39 N ATOM 1988 CA ARG B 54 7.246 6.687 -7.269 1.00 0.38 C ATOM 1989 C ARG B 54 8.251 6.667 -6.121 1.00 0.30 C ATOM 1990 O ARG B 54 9.363 7.150 -6.273 1.00 0.29 O ATOM 1991 CB ARG B 54 6.617 8.064 -7.456 1.00 0.50 C ATOM 1992 CG ARG B 54 7.040 9.060 -6.410 1.00 1.18 C ATOM 1993 CD ARG B 54 5.851 9.498 -5.574 1.00 1.37 C ATOM 1994 NE ARG B 54 5.002 10.444 -6.298 1.00 1.71 N ATOM 1995 CZ ARG B 54 4.535 11.580 -5.784 1.00 2.21 C ATOM 1996 NH1 ARG B 54 4.836 11.932 -4.539 1.00 2.36 N ATOM 1997 NH2 ARG B 54 3.768 12.374 -6.518 1.00 2.84 N ATOM 0 H ARG B 54 5.348 6.036 -6.739 1.00 0.39 H new ATOM 0 HA ARG B 54 7.808 6.454 -8.173 1.00 0.38 H new ATOM 0 HB2 ARG B 54 6.884 8.447 -8.441 1.00 0.50 H new ATOM 0 HB3 ARG B 54 5.532 7.966 -7.436 1.00 0.50 H new ATOM 0 HG2 ARG B 54 7.800 8.618 -5.766 1.00 1.18 H new ATOM 0 HG3 ARG B 54 7.493 9.928 -6.889 1.00 1.18 H new ATOM 0 HD2 ARG B 54 5.264 8.625 -5.290 1.00 1.37 H new ATOM 0 HD3 ARG B 54 6.204 9.958 -4.651 1.00 1.37 H new ATOM 0 HE ARG B 54 4.751 10.218 -7.261 1.00 1.71 H new ATOM 0 HH11 ARG B 54 5.430 11.330 -3.968 1.00 2.36 H new ATOM 0 HH12 ARG B 54 4.474 12.804 -4.154 1.00 2.36 H new ATOM 0 HH21 ARG B 54 3.536 12.115 -7.477 1.00 2.84 H new ATOM 0 HH22 ARG B 54 3.410 13.244 -6.124 1.00 2.84 H new ATOM 2011 N MET B 55 7.873 6.118 -4.973 1.00 0.30 N ATOM 2012 CA MET B 55 8.819 6.018 -3.869 1.00 0.29 C ATOM 2013 C MET B 55 9.904 5.017 -4.223 1.00 0.25 C ATOM 2014 O MET B 55 11.082 5.221 -3.924 1.00 0.26 O ATOM 2015 CB MET B 55 8.145 5.617 -2.561 1.00 0.31 C ATOM 2016 CG MET B 55 9.069 5.787 -1.372 1.00 0.33 C ATOM 2017 SD MET B 55 9.723 7.466 -1.274 1.00 0.76 S ATOM 2018 CE MET B 55 11.083 7.236 -0.141 1.00 0.39 C ATOM 0 H MET B 55 6.943 5.744 -4.784 1.00 0.30 H new ATOM 0 HA MET B 55 9.254 7.005 -3.715 1.00 0.29 H new ATOM 0 HB2 MET B 55 7.250 6.221 -2.414 1.00 0.31 H new ATOM 0 HB3 MET B 55 7.821 4.578 -2.623 1.00 0.31 H new ATOM 0 HG2 MET B 55 8.529 5.552 -0.455 1.00 0.33 H new ATOM 0 HG3 MET B 55 9.894 5.078 -1.447 1.00 0.33 H new ATOM 0 HE1 MET B 55 11.948 7.800 -0.491 1.00 0.39 H new ATOM 0 HE2 MET B 55 10.796 7.590 0.849 1.00 0.39 H new ATOM 0 HE3 MET B 55 11.337 6.177 -0.088 1.00 0.39 H new ATOM 2028 N VAL B 56 9.495 3.941 -4.883 1.00 0.25 N ATOM 2029 CA VAL B 56 10.439 3.007 -5.468 1.00 0.25 C ATOM 2030 C VAL B 56 11.279 3.746 -6.496 1.00 0.23 C ATOM 2031 O VAL B 56 12.481 3.526 -6.611 1.00 0.23 O ATOM 2032 CB VAL B 56 9.727 1.805 -6.131 1.00 0.31 C ATOM 2033 CG1 VAL B 56 10.730 0.877 -6.799 1.00 0.35 C ATOM 2034 CG2 VAL B 56 8.904 1.041 -5.106 1.00 0.34 C ATOM 0 H VAL B 56 8.515 3.696 -5.025 1.00 0.25 H new ATOM 0 HA VAL B 56 11.070 2.608 -4.674 1.00 0.25 H new ATOM 0 HB VAL B 56 9.058 2.193 -6.899 1.00 0.31 H new ATOM 0 HG11 VAL B 56 10.203 0.040 -7.257 1.00 0.35 H new ATOM 0 HG12 VAL B 56 11.278 1.425 -7.566 1.00 0.35 H new ATOM 0 HG13 VAL B 56 11.430 0.500 -6.053 1.00 0.35 H new ATOM 0 HG21 VAL B 56 8.410 0.199 -5.591 1.00 0.34 H new ATOM 0 HG22 VAL B 56 9.558 0.672 -4.316 1.00 0.34 H new ATOM 0 HG23 VAL B 56 8.153 1.703 -4.676 1.00 0.34 H new ATOM 2044 N THR B 57 10.629 4.659 -7.212 1.00 0.24 N ATOM 2045 CA THR B 57 11.309 5.494 -8.188 1.00 0.27 C ATOM 2046 C THR B 57 12.394 6.348 -7.532 1.00 0.26 C ATOM 2047 O THR B 57 13.498 6.449 -8.054 1.00 0.30 O ATOM 2048 CB THR B 57 10.317 6.399 -8.950 1.00 0.34 C ATOM 2049 OG1 THR B 57 9.257 5.604 -9.504 1.00 0.37 O ATOM 2050 CG2 THR B 57 11.020 7.152 -10.069 1.00 0.43 C ATOM 0 H THR B 57 9.628 4.837 -7.131 1.00 0.24 H new ATOM 0 HA THR B 57 11.781 4.821 -8.904 1.00 0.27 H new ATOM 0 HB THR B 57 9.906 7.122 -8.246 1.00 0.34 H new ATOM 0 HG1 THR B 57 8.869 5.041 -8.802 1.00 0.37 H new ATOM 0 HG21 THR B 57 10.301 7.783 -10.591 1.00 0.43 H new ATOM 0 HG22 THR B 57 11.810 7.774 -9.649 1.00 0.43 H new ATOM 0 HG23 THR B 57 11.454 6.439 -10.770 1.00 0.43 H new ATOM 2058 N SER B 58 12.089 6.927 -6.377 1.00 0.31 N ATOM 2059 CA SER B 58 13.036 7.774 -5.663 1.00 0.37 C ATOM 2060 C SER B 58 14.300 6.996 -5.288 1.00 0.30 C ATOM 2061 O SER B 58 15.412 7.495 -5.436 1.00 0.38 O ATOM 2062 CB SER B 58 12.381 8.347 -4.406 1.00 0.49 C ATOM 2063 OG SER B 58 11.135 8.957 -4.709 1.00 1.23 O ATOM 0 H SER B 58 11.187 6.824 -5.912 1.00 0.31 H new ATOM 0 HA SER B 58 13.325 8.592 -6.323 1.00 0.37 H new ATOM 0 HB2 SER B 58 12.232 7.552 -3.676 1.00 0.49 H new ATOM 0 HB3 SER B 58 13.046 9.079 -3.948 1.00 0.49 H new ATOM 0 HG SER B 58 10.525 8.287 -5.081 1.00 1.23 H new ATOM 2069 N LEU B 59 14.122 5.775 -4.799 1.00 0.24 N ATOM 2070 CA LEU B 59 15.254 4.920 -4.450 1.00 0.25 C ATOM 2071 C LEU B 59 15.956 4.403 -5.707 1.00 0.21 C ATOM 2072 O LEU B 59 17.165 4.183 -5.708 1.00 0.27 O ATOM 2073 CB LEU B 59 14.805 3.738 -3.577 1.00 0.37 C ATOM 2074 CG LEU B 59 14.689 4.013 -2.067 1.00 0.37 C ATOM 2075 CD1 LEU B 59 13.692 5.127 -1.781 1.00 1.38 C ATOM 2076 CD2 LEU B 59 14.283 2.744 -1.337 1.00 1.37 C ATOM 0 H LEU B 59 13.208 5.354 -4.635 1.00 0.24 H new ATOM 0 HA LEU B 59 15.959 5.525 -3.879 1.00 0.25 H new ATOM 0 HB2 LEU B 59 13.836 3.394 -3.938 1.00 0.37 H new ATOM 0 HB3 LEU B 59 15.508 2.918 -3.723 1.00 0.37 H new ATOM 0 HG LEU B 59 15.665 4.338 -1.707 1.00 0.37 H new ATOM 0 HD11 LEU B 59 13.634 5.296 -0.706 1.00 1.38 H new ATOM 0 HD12 LEU B 59 14.018 6.042 -2.275 1.00 1.38 H new ATOM 0 HD13 LEU B 59 12.710 4.841 -2.157 1.00 1.38 H new ATOM 0 HD21 LEU B 59 14.203 2.948 -0.269 1.00 1.37 H new ATOM 0 HD22 LEU B 59 13.320 2.400 -1.713 1.00 1.37 H new ATOM 0 HD23 LEU B 59 15.034 1.972 -1.504 1.00 1.37 H new ATOM 2088 N LEU B 60 15.192 4.223 -6.777 1.00 0.19 N ATOM 2089 CA LEU B 60 15.712 3.615 -7.999 1.00 0.24 C ATOM 2090 C LEU B 60 16.365 4.646 -8.921 1.00 0.27 C ATOM 2091 O LEU B 60 17.002 4.287 -9.912 1.00 0.32 O ATOM 2092 CB LEU B 60 14.588 2.882 -8.743 1.00 0.26 C ATOM 2093 CG LEU B 60 14.876 1.418 -9.110 1.00 0.46 C ATOM 2094 CD1 LEU B 60 15.988 1.320 -10.141 1.00 1.29 C ATOM 2095 CD2 LEU B 60 15.235 0.617 -7.865 1.00 0.57 C ATOM 0 H LEU B 60 14.209 4.489 -6.825 1.00 0.19 H new ATOM 0 HA LEU B 60 16.483 2.902 -7.707 1.00 0.24 H new ATOM 0 HB2 LEU B 60 13.689 2.913 -8.127 1.00 0.26 H new ATOM 0 HB3 LEU B 60 14.366 3.430 -9.659 1.00 0.26 H new ATOM 0 HG LEU B 60 13.971 0.997 -9.548 1.00 0.46 H new ATOM 0 HD11 LEU B 60 16.170 0.273 -10.381 1.00 1.29 H new ATOM 0 HD12 LEU B 60 15.694 1.854 -11.045 1.00 1.29 H new ATOM 0 HD13 LEU B 60 16.898 1.763 -9.737 1.00 1.29 H new ATOM 0 HD21 LEU B 60 15.436 -0.418 -8.143 1.00 0.57 H new ATOM 0 HD22 LEU B 60 16.122 1.046 -7.399 1.00 0.57 H new ATOM 0 HD23 LEU B 60 14.404 0.648 -7.160 1.00 0.57 H new ATOM 2107 N GLU B 61 16.232 5.924 -8.596 1.00 0.27 N ATOM 2108 CA GLU B 61 16.820 6.970 -9.427 1.00 0.33 C ATOM 2109 C GLU B 61 18.151 7.426 -8.844 1.00 0.36 C ATOM 2110 O GLU B 61 18.635 8.519 -9.142 1.00 0.43 O ATOM 2111 CB GLU B 61 15.869 8.164 -9.591 1.00 0.37 C ATOM 2112 CG GLU B 61 15.379 8.754 -8.280 1.00 1.02 C ATOM 2113 CD GLU B 61 14.759 10.124 -8.451 1.00 2.03 C ATOM 2114 OE1 GLU B 61 15.504 11.125 -8.400 1.00 2.79 O ATOM 2115 OE2 GLU B 61 13.526 10.213 -8.642 1.00 2.59 O ATOM 0 H GLU B 61 15.730 6.261 -7.775 1.00 0.27 H new ATOM 0 HA GLU B 61 16.994 6.548 -10.417 1.00 0.33 H new ATOM 0 HB2 GLU B 61 16.377 8.943 -10.160 1.00 0.37 H new ATOM 0 HB3 GLU B 61 15.007 7.850 -10.180 1.00 0.37 H new ATOM 0 HG2 GLU B 61 14.646 8.081 -7.835 1.00 1.02 H new ATOM 0 HG3 GLU B 61 16.214 8.822 -7.583 1.00 1.02 H new ATOM 2122 N LYS B 62 18.743 6.573 -8.023 1.00 0.36 N ATOM 2123 CA LYS B 62 20.016 6.868 -7.388 1.00 0.40 C ATOM 2124 C LYS B 62 20.847 5.593 -7.238 1.00 0.35 C ATOM 2125 O LYS B 62 20.457 4.662 -6.534 1.00 0.30 O ATOM 2126 CB LYS B 62 19.794 7.556 -6.046 1.00 0.48 C ATOM 2127 CG LYS B 62 18.577 7.062 -5.292 1.00 0.51 C ATOM 2128 CD LYS B 62 18.437 7.786 -3.971 1.00 0.76 C ATOM 2129 CE LYS B 62 18.037 9.238 -4.163 1.00 0.83 C ATOM 2130 NZ LYS B 62 18.009 9.971 -2.872 1.00 0.91 N ATOM 0 H LYS B 62 18.356 5.661 -7.779 1.00 0.36 H new ATOM 0 HA LYS B 62 20.577 7.554 -8.023 1.00 0.40 H new ATOM 0 HB2 LYS B 62 20.677 7.410 -5.424 1.00 0.48 H new ATOM 0 HB3 LYS B 62 19.695 8.629 -6.212 1.00 0.48 H new ATOM 0 HG2 LYS B 62 17.682 7.217 -5.894 1.00 0.51 H new ATOM 0 HG3 LYS B 62 18.662 5.989 -5.118 1.00 0.51 H new ATOM 0 HD2 LYS B 62 17.691 7.282 -3.357 1.00 0.76 H new ATOM 0 HD3 LYS B 62 19.381 7.738 -3.428 1.00 0.76 H new ATOM 0 HE2 LYS B 62 18.738 9.723 -4.842 1.00 0.83 H new ATOM 0 HE3 LYS B 62 17.054 9.287 -4.631 1.00 0.83 H new ATOM 0 HZ1 LYS B 62 17.866 10.985 -3.052 1.00 0.91 H new ATOM 0 HZ2 LYS B 62 17.230 9.610 -2.285 1.00 0.91 H new ATOM 0 HZ3 LYS B 62 18.911 9.832 -2.374 1.00 0.91 H new ATOM 2144 N PRO B 63 22.020 5.557 -7.894 1.00 0.46 N ATOM 2145 CA PRO B 63 22.805 4.326 -8.096 1.00 0.48 C ATOM 2146 C PRO B 63 23.287 3.671 -6.804 1.00 0.41 C ATOM 2147 O PRO B 63 23.279 2.443 -6.692 1.00 0.40 O ATOM 2148 CB PRO B 63 24.005 4.794 -8.932 1.00 0.59 C ATOM 2149 CG PRO B 63 23.596 6.107 -9.503 1.00 0.94 C ATOM 2150 CD PRO B 63 22.695 6.726 -8.479 1.00 0.65 C ATOM 0 HA PRO B 63 22.195 3.558 -8.570 1.00 0.48 H new ATOM 0 HB2 PRO B 63 24.899 4.894 -8.316 1.00 0.59 H new ATOM 0 HB3 PRO B 63 24.239 4.078 -9.720 1.00 0.59 H new ATOM 0 HG2 PRO B 63 24.463 6.738 -9.695 1.00 0.94 H new ATOM 0 HG3 PRO B 63 23.079 5.977 -10.454 1.00 0.94 H new ATOM 0 HD2 PRO B 63 23.256 7.286 -7.731 1.00 0.65 H new ATOM 0 HD3 PRO B 63 21.985 7.420 -8.930 1.00 0.65 H new ATOM 2158 N SER B 64 23.699 4.476 -5.833 1.00 0.40 N ATOM 2159 CA SER B 64 24.241 3.944 -4.591 1.00 0.37 C ATOM 2160 C SER B 64 23.144 3.223 -3.811 1.00 0.34 C ATOM 2161 O SER B 64 23.343 2.113 -3.316 1.00 0.38 O ATOM 2162 CB SER B 64 24.862 5.070 -3.755 1.00 0.39 C ATOM 2163 OG SER B 64 25.655 4.555 -2.696 1.00 1.25 O ATOM 0 H SER B 64 23.668 5.494 -5.881 1.00 0.40 H new ATOM 0 HA SER B 64 25.027 3.225 -4.823 1.00 0.37 H new ATOM 0 HB2 SER B 64 25.475 5.704 -4.395 1.00 0.39 H new ATOM 0 HB3 SER B 64 24.072 5.699 -3.346 1.00 0.39 H new ATOM 0 HG SER B 64 26.038 5.297 -2.183 1.00 1.25 H new ATOM 2169 N VAL B 65 21.981 3.860 -3.724 1.00 0.30 N ATOM 2170 CA VAL B 65 20.817 3.257 -3.087 1.00 0.30 C ATOM 2171 C VAL B 65 20.422 1.958 -3.785 1.00 0.29 C ATOM 2172 O VAL B 65 20.216 0.933 -3.132 1.00 0.30 O ATOM 2173 CB VAL B 65 19.616 4.228 -3.087 1.00 0.31 C ATOM 2174 CG1 VAL B 65 18.346 3.536 -2.624 1.00 0.38 C ATOM 2175 CG2 VAL B 65 19.906 5.431 -2.211 1.00 0.33 C ATOM 0 H VAL B 65 21.820 4.799 -4.089 1.00 0.30 H new ATOM 0 HA VAL B 65 21.091 3.036 -2.055 1.00 0.30 H new ATOM 0 HB VAL B 65 19.462 4.566 -4.112 1.00 0.31 H new ATOM 0 HG11 VAL B 65 17.520 4.247 -2.635 1.00 0.38 H new ATOM 0 HG12 VAL B 65 18.120 2.705 -3.293 1.00 0.38 H new ATOM 0 HG13 VAL B 65 18.486 3.158 -1.611 1.00 0.38 H new ATOM 0 HG21 VAL B 65 19.049 6.105 -2.223 1.00 0.33 H new ATOM 0 HG22 VAL B 65 20.094 5.100 -1.189 1.00 0.33 H new ATOM 0 HG23 VAL B 65 20.784 5.954 -2.590 1.00 0.33 H new ATOM 2185 N VAL B 66 20.345 2.005 -5.113 1.00 0.29 N ATOM 2186 CA VAL B 66 19.973 0.837 -5.903 1.00 0.30 C ATOM 2187 C VAL B 66 20.918 -0.327 -5.631 1.00 0.30 C ATOM 2188 O VAL B 66 20.473 -1.433 -5.323 1.00 0.30 O ATOM 2189 CB VAL B 66 19.978 1.151 -7.417 1.00 0.32 C ATOM 2190 CG1 VAL B 66 19.663 -0.094 -8.231 1.00 0.35 C ATOM 2191 CG2 VAL B 66 18.985 2.252 -7.737 1.00 0.34 C ATOM 0 H VAL B 66 20.536 2.842 -5.664 1.00 0.29 H new ATOM 0 HA VAL B 66 18.962 0.561 -5.605 1.00 0.30 H new ATOM 0 HB VAL B 66 20.977 1.493 -7.686 1.00 0.32 H new ATOM 0 HG11 VAL B 66 19.673 0.153 -9.293 1.00 0.35 H new ATOM 0 HG12 VAL B 66 20.413 -0.859 -8.030 1.00 0.35 H new ATOM 0 HG13 VAL B 66 18.678 -0.470 -7.955 1.00 0.35 H new ATOM 0 HG21 VAL B 66 19.003 2.459 -8.807 1.00 0.34 H new ATOM 0 HG22 VAL B 66 17.984 1.935 -7.446 1.00 0.34 H new ATOM 0 HG23 VAL B 66 19.254 3.155 -7.188 1.00 0.34 H new ATOM 2201 N ALA B 67 22.218 -0.062 -5.718 1.00 0.33 N ATOM 2202 CA ALA B 67 23.227 -1.095 -5.521 1.00 0.35 C ATOM 2203 C ALA B 67 23.088 -1.769 -4.167 1.00 0.32 C ATOM 2204 O ALA B 67 23.138 -2.991 -4.070 1.00 0.34 O ATOM 2205 CB ALA B 67 24.624 -0.522 -5.664 1.00 0.42 C ATOM 0 H ALA B 67 22.597 0.862 -5.924 1.00 0.33 H new ATOM 0 HA ALA B 67 23.067 -1.846 -6.294 1.00 0.35 H new ATOM 0 HB1 ALA B 67 25.359 -1.313 -5.513 1.00 0.42 H new ATOM 0 HB2 ALA B 67 24.744 -0.101 -6.662 1.00 0.42 H new ATOM 0 HB3 ALA B 67 24.774 0.260 -4.920 1.00 0.42 H new ATOM 2211 N TYR B 68 22.904 -0.978 -3.122 1.00 0.30 N ATOM 2212 CA TYR B 68 22.799 -1.521 -1.776 1.00 0.30 C ATOM 2213 C TYR B 68 21.584 -2.416 -1.609 1.00 0.30 C ATOM 2214 O TYR B 68 21.622 -3.381 -0.848 1.00 0.33 O ATOM 2215 CB TYR B 68 22.890 -0.428 -0.719 1.00 0.32 C ATOM 2216 CG TYR B 68 24.338 -0.158 -0.380 1.00 0.51 C ATOM 2217 CD1 TYR B 68 24.973 -0.867 0.633 1.00 1.31 C ATOM 2218 CD2 TYR B 68 25.086 0.758 -1.108 1.00 1.06 C ATOM 2219 CE1 TYR B 68 26.312 -0.671 0.908 1.00 1.54 C ATOM 2220 CE2 TYR B 68 26.424 0.964 -0.832 1.00 1.28 C ATOM 2221 CZ TYR B 68 27.033 0.247 0.175 1.00 1.19 C ATOM 2222 OH TYR B 68 28.367 0.439 0.446 1.00 1.55 O ATOM 0 H TYR B 68 22.825 0.037 -3.178 1.00 0.30 H new ATOM 0 HA TYR B 68 23.662 -2.168 -1.620 1.00 0.30 H new ATOM 0 HB2 TYR B 68 22.417 0.484 -1.085 1.00 0.32 H new ATOM 0 HB3 TYR B 68 22.348 -0.731 0.177 1.00 0.32 H new ATOM 0 HD1 TYR B 68 24.410 -1.582 1.214 1.00 1.31 H new ATOM 0 HD2 TYR B 68 24.615 1.318 -1.902 1.00 1.06 H new ATOM 0 HE1 TYR B 68 26.792 -1.235 1.694 1.00 1.54 H new ATOM 0 HE2 TYR B 68 26.991 1.684 -1.403 1.00 1.28 H new ATOM 0 HH TYR B 68 28.729 1.119 -0.160 1.00 1.55 H new ATOM 2232 N LEU B 69 20.514 -2.103 -2.311 1.00 0.28 N ATOM 2233 CA LEU B 69 19.348 -2.971 -2.328 1.00 0.29 C ATOM 2234 C LEU B 69 19.682 -4.322 -2.965 1.00 0.31 C ATOM 2235 O LEU B 69 19.380 -5.370 -2.404 1.00 0.34 O ATOM 2236 CB LEU B 69 18.215 -2.291 -3.084 1.00 0.28 C ATOM 2237 CG LEU B 69 17.776 -0.979 -2.466 1.00 0.30 C ATOM 2238 CD1 LEU B 69 16.952 -0.159 -3.447 1.00 0.30 C ATOM 2239 CD2 LEU B 69 17.000 -1.229 -1.185 1.00 0.33 C ATOM 0 H LEU B 69 20.425 -1.258 -2.876 1.00 0.28 H new ATOM 0 HA LEU B 69 19.033 -3.155 -1.301 1.00 0.29 H new ATOM 0 HB2 LEU B 69 18.531 -2.111 -4.112 1.00 0.28 H new ATOM 0 HB3 LEU B 69 17.361 -2.967 -3.127 1.00 0.28 H new ATOM 0 HG LEU B 69 18.669 -0.404 -2.221 1.00 0.30 H new ATOM 0 HD11 LEU B 69 16.651 0.777 -2.976 1.00 0.30 H new ATOM 0 HD12 LEU B 69 17.549 0.056 -4.333 1.00 0.30 H new ATOM 0 HD13 LEU B 69 16.064 -0.722 -3.736 1.00 0.30 H new ATOM 0 HD21 LEU B 69 16.692 -0.276 -0.754 1.00 0.33 H new ATOM 0 HD22 LEU B 69 16.117 -1.829 -1.406 1.00 0.33 H new ATOM 0 HD23 LEU B 69 17.633 -1.761 -0.474 1.00 0.33 H new ATOM 2251 N GLU B 70 20.326 -4.313 -4.120 1.00 0.32 N ATOM 2252 CA GLU B 70 20.621 -5.565 -4.812 1.00 0.39 C ATOM 2253 C GLU B 70 21.763 -6.316 -4.158 1.00 0.44 C ATOM 2254 O GLU B 70 21.853 -7.541 -4.246 1.00 0.53 O ATOM 2255 CB GLU B 70 20.932 -5.325 -6.276 1.00 0.44 C ATOM 2256 CG GLU B 70 21.534 -3.970 -6.572 1.00 0.45 C ATOM 2257 CD GLU B 70 21.958 -3.846 -8.019 1.00 0.56 C ATOM 2258 OE1 GLU B 70 22.582 -4.791 -8.542 1.00 1.32 O ATOM 2259 OE2 GLU B 70 21.644 -2.820 -8.652 1.00 1.15 O ATOM 0 H GLU B 70 20.651 -3.471 -4.595 1.00 0.32 H new ATOM 0 HA GLU B 70 19.724 -6.181 -4.740 1.00 0.39 H new ATOM 0 HB2 GLU B 70 21.619 -6.098 -6.620 1.00 0.44 H new ATOM 0 HB3 GLU B 70 20.014 -5.435 -6.853 1.00 0.44 H new ATOM 0 HG2 GLU B 70 20.808 -3.191 -6.338 1.00 0.45 H new ATOM 0 HG3 GLU B 70 22.396 -3.807 -5.926 1.00 0.45 H new ATOM 2266 N GLY B 71 22.632 -5.581 -3.511 1.00 0.44 N ATOM 2267 CA GLY B 71 23.704 -6.199 -2.788 1.00 0.53 C ATOM 2268 C GLY B 71 25.054 -5.887 -3.381 1.00 0.65 C ATOM 2269 O GLY B 71 25.998 -6.668 -3.258 1.00 0.79 O ATOM 0 H GLY B 71 22.615 -4.562 -3.472 1.00 0.44 H new ATOM 0 HA2 GLY B 71 23.680 -5.864 -1.751 1.00 0.53 H new ATOM 0 HA3 GLY B 71 23.556 -7.279 -2.777 1.00 0.53 H new ATOM 2273 N LYS B 72 25.138 -4.748 -4.029 1.00 0.69 N ATOM 2274 CA LYS B 72 26.355 -4.318 -4.679 1.00 0.93 C ATOM 2275 C LYS B 72 27.120 -3.373 -3.760 1.00 1.13 C ATOM 2276 O LYS B 72 26.696 -2.211 -3.612 1.00 1.49 O ATOM 2277 CB LYS B 72 26.001 -3.644 -6.006 1.00 1.21 C ATOM 2278 CG LYS B 72 25.265 -4.563 -6.967 1.00 1.13 C ATOM 2279 CD LYS B 72 26.122 -5.746 -7.381 1.00 1.47 C ATOM 2280 CE LYS B 72 25.309 -6.811 -8.105 1.00 1.99 C ATOM 2281 NZ LYS B 72 24.607 -6.271 -9.297 1.00 2.58 N ATOM 2282 OXT LYS B 72 28.118 -3.812 -3.150 1.00 1.80 O ATOM 0 H LYS B 72 24.362 -4.092 -4.121 1.00 0.69 H new ATOM 0 HA LYS B 72 26.996 -5.174 -4.887 1.00 0.93 H new ATOM 0 HB2 LYS B 72 25.384 -2.767 -5.808 1.00 1.21 H new ATOM 0 HB3 LYS B 72 26.916 -3.289 -6.481 1.00 1.21 H new ATOM 0 HG2 LYS B 72 24.350 -4.923 -6.497 1.00 1.13 H new ATOM 0 HG3 LYS B 72 24.968 -4.001 -7.853 1.00 1.13 H new ATOM 0 HD2 LYS B 72 26.928 -5.401 -8.029 1.00 1.47 H new ATOM 0 HD3 LYS B 72 26.588 -6.183 -6.498 1.00 1.47 H new ATOM 0 HE2 LYS B 72 25.969 -7.623 -8.411 1.00 1.99 H new ATOM 0 HE3 LYS B 72 24.578 -7.237 -7.418 1.00 1.99 H new ATOM 0 HZ1 LYS B 72 24.626 -6.977 -10.060 1.00 2.58 H new ATOM 0 HZ2 LYS B 72 23.620 -6.054 -9.050 1.00 2.58 H new ATOM 0 HZ3 LYS B 72 25.083 -5.403 -9.616 1.00 2.58 H new TER 2296 LYS B 72