USER MOD reduce.3.24.130724 H: found=0, std=0, add=1644, rem=0, adj=70 USER MOD reduce.3.24.130724 removed 1644 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 33 THR OG1 : rot 110:sc= 0.00569 USER MOD Set 1.2: B 74 GLN : amide:sc= -1.8! C(o=-1.8!,f=-5.1!) USER MOD Set 2.1: B 63 MET CE :methyl -164:sc= -0.0505 (180deg=-0.401) USER MOD Set 2.2: B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: B 24 TYR OH : rot -78:sc= 1.3 USER MOD Set 3.2: B 45 THR OG1 : rot -73:sc= 2.21 USER MOD Set 4.1: A 63 MET CE :methyl -163:sc= -0.0612 (180deg=-0.435) USER MOD Set 4.2: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 24 TYR OH : rot -87:sc= 1.29 USER MOD Set 5.2: A 45 THR OG1 : rot -72:sc= 2.28 USER MOD Set 6.1: A 33 THR OG1 : rot 109:sc= 0.00327 USER MOD Set 6.2: A 74 GLN : amide:sc= -1.83! C(o=-1.8!,f=-5!) USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0235 (180deg=-0.271) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -128:sc= 0.326 USER MOD Single : A 10 THR OG1 : rot 161:sc= -1.38 USER MOD Single : A 13 CYS SG : rot -85:sc= -5.71! USER MOD Single : A 16 SER OG : rot 91:sc= 1.74 USER MOD Single : A 22 GLN : amide:sc= -0.0917 K(o=-0.092,f=-0.86) USER MOD Single : A 23 LYS NZ :NH3+ 154:sc= 1.26 (180deg=1.05) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0331) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0715 USER MOD Single : A 36 LYS NZ :NH3+ -169:sc= -0.0208 (180deg=-0.165) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.124 USER MOD Single : A 43 MET CE :methyl 169:sc= -0.951 (180deg=-1.61) USER MOD Single : A 44 ASN : amide:sc= -4.38! C(o=-4.4!,f=-7.7!) USER MOD Single : A 51 THR OG1 : rot 136:sc= 0.934 USER MOD Single : A 52 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0544) USER MOD Single : A 53 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.088) USER MOD Single : A 54 GLN : amide:sc= -2.26 K(o=-2.3,f=-0.2) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= -0.0399 (180deg=-0.246) USER MOD Single : A 64 MET CE :methyl 166:sc= -0.834 (180deg=-0.944) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= -0.0146 (180deg=-0.216) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc=-0.000757 K(o=-0.00076,f=-0.79) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -73:sc= 1.24 USER MOD Single : A 82 ASN : amide:sc= -0.224 K(o=-0.22,f=-1.3!) USER MOD Single : A 89 MET CE :methyl -169:sc= -0.51 (180deg=-0.84) USER MOD Single : A 91 CYS SG : rot -39:sc= -0.575 USER MOD Single : A 92 HIS : no HE2:sc= -5.63! C(o=-5.6!,f=-6!) USER MOD Single : A 94 SER OG : rot 87:sc= 1.25 USER MOD Single : A 97 LYS NZ :NH3+ -168:sc= 1.19 (180deg=0.607) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.615 K(o=-0.61,f=-5.7!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.142 USER MOD Single : B 1 MET CE :methyl 166:sc= -0.0167 (180deg=-0.254) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 8 THR OG1 : rot -118:sc= 0.259 USER MOD Single : B 10 THR OG1 : rot 163:sc= -1.41 USER MOD Single : B 13 CYS SG : rot -82:sc= -5.59! USER MOD Single : B 16 SER OG : rot 93:sc= 1.68 USER MOD Single : B 22 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.89) USER MOD Single : B 23 LYS NZ :NH3+ 172:sc= 1.29 (180deg=1.23) USER MOD Single : B 27 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0298) USER MOD Single : B 30 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 SER OG : rot 180:sc= -0.0679 USER MOD Single : B 36 LYS NZ :NH3+ -170:sc=-0.00947 (180deg=-0.15) USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 180:sc= -0.146 USER MOD Single : B 43 MET CE :methyl 168:sc= -0.843 (180deg=-1.47) USER MOD Single : B 44 ASN : amide:sc= -4.41! C(o=-4.4!,f=-8.1!) USER MOD Single : B 51 THR OG1 : rot 134:sc= 0.945 USER MOD Single : B 52 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0817) USER MOD Single : B 53 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.098) USER MOD Single : B 54 GLN : amide:sc= -2.25 K(o=-2.3,f=-0.19) USER MOD Single : B 55 LYS NZ :NH3+ -166:sc= -0.0824 (180deg=-0.36) USER MOD Single : B 64 MET CE :methyl 168:sc= -0.853 (180deg=-0.982) USER MOD Single : B 65 LYS NZ :NH3+ 165:sc= -0.0108 (180deg=-0.204) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD Single : B 78 SER OG : rot -72:sc= 1.15 USER MOD Single : B 82 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.3!) USER MOD Single : B 89 MET CE :methyl -172:sc= -0.547 (180deg=-0.829) USER MOD Single : B 91 CYS SG : rot -38:sc= -0.544 USER MOD Single : B 92 HIS : no HE2:sc= -5.55! C(o=-5.5!,f=-6.1!) USER MOD Single : B 94 SER OG : rot 76:sc= 1.27 USER MOD Single : B 97 LYS NZ :NH3+ -168:sc= 1.24 (180deg=0.669) USER MOD Single : B 101 SER OG : rot 180:sc= 0 USER MOD Single : B 102 GLN : amide:sc= -0.524 K(o=-0.52,f=-5.5!) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 105 THR OG1 : rot 180:sc= -0.148 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.550 24.859 14.692 1.00 7.63 N ATOM 2 CA MET A 1 -13.709 24.148 13.704 1.00 7.05 C ATOM 3 C MET A 1 -12.723 23.223 14.406 1.00 6.84 C ATOM 4 O MET A 1 -11.630 23.635 14.793 1.00 7.12 O ATOM 5 CB MET A 1 -12.954 25.149 12.822 1.00 7.11 C ATOM 6 CG MET A 1 -12.020 24.496 11.811 1.00 7.39 C ATOM 7 SD MET A 1 -12.878 23.387 10.674 1.00 7.66 S ATOM 8 CE MET A 1 -13.892 24.546 9.757 1.00 7.91 C ATOM 0 H1 MET A 1 -15.216 25.485 14.195 1.00 7.63 H new ATOM 0 H2 MET A 1 -15.082 24.167 15.257 1.00 7.63 H new ATOM 0 H3 MET A 1 -13.944 25.426 15.319 1.00 7.63 H new ATOM 0 HA MET A 1 -14.362 23.546 13.072 1.00 7.05 H new ATOM 0 HB2 MET A 1 -13.677 25.766 12.289 1.00 7.11 H new ATOM 0 HB3 MET A 1 -12.374 25.816 13.460 1.00 7.11 H new ATOM 0 HG2 MET A 1 -11.512 25.273 11.239 1.00 7.39 H new ATOM 0 HG3 MET A 1 -11.250 23.937 12.343 1.00 7.39 H new ATOM 0 HE1 MET A 1 -14.287 24.058 8.866 1.00 7.91 H new ATOM 0 HE2 MET A 1 -14.719 24.881 10.383 1.00 7.91 H new ATOM 0 HE3 MET A 1 -13.288 25.405 9.463 1.00 7.91 H new ATOM 20 N ALA A 2 -13.121 21.972 14.580 1.00 6.67 N ATOM 21 CA ALA A 2 -12.266 20.978 15.206 1.00 6.74 C ATOM 22 C ALA A 2 -11.126 20.591 14.275 1.00 6.14 C ATOM 23 O ALA A 2 -9.973 20.510 14.700 1.00 6.28 O ATOM 24 CB ALA A 2 -13.079 19.752 15.584 1.00 7.31 C ATOM 0 H ALA A 2 -14.035 21.621 14.295 1.00 6.67 H new ATOM 0 HA ALA A 2 -11.839 21.408 16.112 1.00 6.74 H new ATOM 0 HB1 ALA A 2 -12.428 19.014 16.052 1.00 7.31 H new ATOM 0 HB2 ALA A 2 -13.865 20.038 16.283 1.00 7.31 H new ATOM 0 HB3 ALA A 2 -13.528 19.323 14.688 1.00 7.31 H new ATOM 30 N LYS A 3 -11.465 20.375 13.005 1.00 5.79 N ATOM 31 CA LYS A 3 -10.494 19.997 11.981 1.00 5.52 C ATOM 32 C LYS A 3 -9.636 18.826 12.459 1.00 5.00 C ATOM 33 O LYS A 3 -8.437 18.969 12.717 1.00 5.14 O ATOM 34 CB LYS A 3 -9.620 21.199 11.595 1.00 6.00 C ATOM 35 CG LYS A 3 -8.721 20.950 10.389 1.00 6.27 C ATOM 36 CD LYS A 3 -9.519 20.556 9.150 1.00 6.96 C ATOM 37 CE LYS A 3 -10.482 21.653 8.723 1.00 7.45 C ATOM 38 NZ LYS A 3 -11.276 21.263 7.529 1.00 7.92 N ATOM 0 H LYS A 3 -12.420 20.457 12.658 1.00 5.79 H new ATOM 0 HA LYS A 3 -11.037 19.676 11.092 1.00 5.52 H new ATOM 0 HB2 LYS A 3 -10.265 22.052 11.384 1.00 6.00 H new ATOM 0 HB3 LYS A 3 -8.999 21.472 12.448 1.00 6.00 H new ATOM 0 HG2 LYS A 3 -8.143 21.849 10.176 1.00 6.27 H new ATOM 0 HG3 LYS A 3 -8.007 20.161 10.626 1.00 6.27 H new ATOM 0 HD2 LYS A 3 -8.834 20.336 8.332 1.00 6.96 H new ATOM 0 HD3 LYS A 3 -10.077 19.642 9.353 1.00 6.96 H new ATOM 0 HE2 LYS A 3 -11.157 21.884 9.547 1.00 7.45 H new ATOM 0 HE3 LYS A 3 -9.922 22.562 8.505 1.00 7.45 H new ATOM 0 HZ1 LYS A 3 -11.919 22.038 7.271 1.00 7.92 H new ATOM 0 HZ2 LYS A 3 -10.634 21.067 6.734 1.00 7.92 H new ATOM 0 HZ3 LYS A 3 -11.831 20.410 7.744 1.00 7.92 H new ATOM 52 N ILE A 4 -10.266 17.674 12.589 1.00 4.74 N ATOM 53 CA ILE A 4 -9.588 16.484 13.068 1.00 4.41 C ATOM 54 C ILE A 4 -9.539 15.429 11.968 1.00 3.66 C ATOM 55 O ILE A 4 -10.517 15.216 11.251 1.00 3.90 O ATOM 56 CB ILE A 4 -10.281 15.915 14.333 1.00 5.14 C ATOM 57 CG1 ILE A 4 -9.584 14.640 14.822 1.00 5.77 C ATOM 58 CG2 ILE A 4 -11.756 15.647 14.071 1.00 5.58 C ATOM 59 CD1 ILE A 4 -8.167 14.864 15.300 1.00 6.53 C ATOM 0 H ILE A 4 -11.252 17.537 12.368 1.00 4.74 H new ATOM 0 HA ILE A 4 -8.569 16.760 13.340 1.00 4.41 H new ATOM 0 HB ILE A 4 -10.202 16.667 15.118 1.00 5.14 H new ATOM 0 HG12 ILE A 4 -10.167 14.207 15.635 1.00 5.77 H new ATOM 0 HG13 ILE A 4 -9.573 13.910 14.013 1.00 5.77 H new ATOM 0 HG21 ILE A 4 -12.219 15.248 14.974 1.00 5.58 H new ATOM 0 HG22 ILE A 4 -12.250 16.577 13.790 1.00 5.58 H new ATOM 0 HG23 ILE A 4 -11.856 14.924 13.262 1.00 5.58 H new ATOM 0 HD11 ILE A 4 -7.740 13.917 15.630 1.00 6.53 H new ATOM 0 HD12 ILE A 4 -7.567 15.268 14.484 1.00 6.53 H new ATOM 0 HD13 ILE A 4 -8.171 15.569 16.131 1.00 6.53 H new ATOM 71 N SER A 5 -8.387 14.803 11.810 1.00 3.24 N ATOM 72 CA SER A 5 -8.222 13.758 10.819 1.00 2.93 C ATOM 73 C SER A 5 -7.465 12.578 11.419 1.00 2.01 C ATOM 74 O SER A 5 -6.306 12.327 11.082 1.00 2.25 O ATOM 75 CB SER A 5 -7.488 14.306 9.594 1.00 3.70 C ATOM 76 OG SER A 5 -8.164 15.439 9.068 1.00 4.46 O ATOM 0 H SER A 5 -7.550 15.002 12.358 1.00 3.24 H new ATOM 0 HA SER A 5 -9.206 13.410 10.504 1.00 2.93 H new ATOM 0 HB2 SER A 5 -6.469 14.579 9.867 1.00 3.70 H new ATOM 0 HB3 SER A 5 -7.417 13.532 8.830 1.00 3.70 H new ATOM 0 HG SER A 5 -7.678 15.776 8.286 1.00 4.46 H new ATOM 82 N SER A 6 -8.123 11.874 12.332 1.00 1.51 N ATOM 83 CA SER A 6 -7.551 10.684 12.936 1.00 1.03 C ATOM 84 C SER A 6 -7.465 9.580 11.889 1.00 0.82 C ATOM 85 O SER A 6 -8.480 9.197 11.304 1.00 0.85 O ATOM 86 CB SER A 6 -8.403 10.236 14.124 1.00 1.67 C ATOM 87 OG SER A 6 -8.585 11.300 15.045 1.00 2.25 O ATOM 0 H SER A 6 -9.056 12.110 12.669 1.00 1.51 H new ATOM 0 HA SER A 6 -6.548 10.906 13.301 1.00 1.03 H new ATOM 0 HB2 SER A 6 -9.373 9.886 13.770 1.00 1.67 H new ATOM 0 HB3 SER A 6 -7.923 9.395 14.624 1.00 1.67 H new ATOM 0 HG SER A 6 -9.134 10.992 15.796 1.00 2.25 H new ATOM 93 N PRO A 7 -6.259 9.060 11.633 1.00 0.69 N ATOM 94 CA PRO A 7 -6.028 8.100 10.554 1.00 0.54 C ATOM 95 C PRO A 7 -6.545 6.711 10.892 1.00 0.44 C ATOM 96 O PRO A 7 -6.511 6.281 12.048 1.00 0.56 O ATOM 97 CB PRO A 7 -4.506 8.080 10.447 1.00 0.61 C ATOM 98 CG PRO A 7 -4.072 8.299 11.845 1.00 0.75 C ATOM 99 CD PRO A 7 -5.018 9.339 12.383 1.00 0.82 C ATOM 0 HA PRO A 7 -6.544 8.379 9.635 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -4.141 7.131 10.055 1.00 0.61 H new ATOM 0 HB3 PRO A 7 -4.138 8.862 9.783 1.00 0.61 H new ATOM 0 HG2 PRO A 7 -4.126 7.378 12.425 1.00 0.75 H new ATOM 0 HG3 PRO A 7 -3.039 8.643 11.889 1.00 0.75 H new ATOM 0 HD2 PRO A 7 -5.163 9.239 13.459 1.00 0.82 H new ATOM 0 HD3 PRO A 7 -4.654 10.351 12.203 1.00 0.82 H new ATOM 107 N THR A 8 -7.028 6.021 9.885 1.00 0.34 N ATOM 108 CA THR A 8 -7.443 4.643 10.036 1.00 0.27 C ATOM 109 C THR A 8 -6.283 3.735 9.681 1.00 0.28 C ATOM 110 O THR A 8 -5.156 4.210 9.530 1.00 0.35 O ATOM 111 CB THR A 8 -8.634 4.330 9.124 1.00 0.28 C ATOM 112 OG1 THR A 8 -8.201 4.338 7.762 1.00 0.36 O ATOM 113 CG2 THR A 8 -9.733 5.350 9.333 1.00 0.32 C ATOM 0 H THR A 8 -7.144 6.395 8.943 1.00 0.34 H new ATOM 0 HA THR A 8 -7.748 4.478 11.070 1.00 0.27 H new ATOM 0 HB THR A 8 -9.029 3.344 9.369 1.00 0.28 H new ATOM 0 HG1 THR A 8 -8.779 4.931 7.238 1.00 0.36 H new ATOM 0 HG21 THR A 8 -10.574 5.118 8.680 1.00 0.32 H new ATOM 0 HG22 THR A 8 -10.062 5.323 10.372 1.00 0.32 H new ATOM 0 HG23 THR A 8 -9.355 6.345 9.098 1.00 0.32 H new ATOM 121 N GLU A 9 -6.556 2.449 9.536 1.00 0.28 N ATOM 122 CA GLU A 9 -5.538 1.490 9.127 1.00 0.33 C ATOM 123 C GLU A 9 -4.857 1.962 7.861 1.00 0.36 C ATOM 124 O GLU A 9 -3.647 2.091 7.819 1.00 0.52 O ATOM 125 CB GLU A 9 -6.171 0.115 8.898 1.00 0.40 C ATOM 126 CG GLU A 9 -5.216 -0.977 8.424 1.00 0.56 C ATOM 127 CD GLU A 9 -4.706 -0.814 6.999 1.00 1.73 C ATOM 128 OE1 GLU A 9 -5.502 -0.486 6.104 1.00 2.48 O ATOM 129 OE2 GLU A 9 -3.492 -1.014 6.790 1.00 2.47 O ATOM 0 H GLU A 9 -7.477 2.042 9.696 1.00 0.28 H new ATOM 0 HA GLU A 9 -4.794 1.409 9.920 1.00 0.33 H new ATOM 0 HB2 GLU A 9 -6.635 -0.211 9.829 1.00 0.40 H new ATOM 0 HB3 GLU A 9 -6.969 0.220 8.163 1.00 0.40 H new ATOM 0 HG2 GLU A 9 -4.360 -1.008 9.098 1.00 0.56 H new ATOM 0 HG3 GLU A 9 -5.721 -1.940 8.505 1.00 0.56 H new ATOM 136 N THR A 10 -5.644 2.246 6.846 1.00 0.26 N ATOM 137 CA THR A 10 -5.105 2.538 5.534 1.00 0.27 C ATOM 138 C THR A 10 -4.419 3.887 5.532 1.00 0.27 C ATOM 139 O THR A 10 -3.388 4.069 4.891 1.00 0.31 O ATOM 140 CB THR A 10 -6.191 2.470 4.431 1.00 0.27 C ATOM 141 OG1 THR A 10 -5.941 3.448 3.416 1.00 0.40 O ATOM 142 CG2 THR A 10 -7.583 2.670 5.012 1.00 0.25 C ATOM 0 H THR A 10 -6.662 2.281 6.904 1.00 0.26 H new ATOM 0 HA THR A 10 -4.367 1.769 5.305 1.00 0.27 H new ATOM 0 HB THR A 10 -6.146 1.476 3.986 1.00 0.27 H new ATOM 0 HG1 THR A 10 -6.428 3.205 2.601 1.00 0.40 H new ATOM 0 HG21 THR A 10 -8.322 2.617 4.213 1.00 0.25 H new ATOM 0 HG22 THR A 10 -7.786 1.891 5.746 1.00 0.25 H new ATOM 0 HG23 THR A 10 -7.639 3.646 5.494 1.00 0.25 H new ATOM 150 N GLU A 11 -4.958 4.816 6.290 1.00 0.25 N ATOM 151 CA GLU A 11 -4.382 6.143 6.360 1.00 0.27 C ATOM 152 C GLU A 11 -3.053 6.099 7.092 1.00 0.30 C ATOM 153 O GLU A 11 -2.082 6.737 6.686 1.00 0.32 O ATOM 154 CB GLU A 11 -5.355 7.090 7.044 1.00 0.29 C ATOM 155 CG GLU A 11 -6.727 7.007 6.424 1.00 0.41 C ATOM 156 CD GLU A 11 -7.719 8.020 6.970 1.00 1.11 C ATOM 157 OE1 GLU A 11 -7.939 8.034 8.198 1.00 1.85 O ATOM 158 OE2 GLU A 11 -8.311 8.774 6.175 1.00 1.71 O ATOM 0 H GLU A 11 -5.790 4.680 6.864 1.00 0.25 H new ATOM 0 HA GLU A 11 -4.197 6.511 5.351 1.00 0.27 H new ATOM 0 HB2 GLU A 11 -5.418 6.847 8.105 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.982 8.112 6.973 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -6.636 7.148 5.347 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -7.125 6.004 6.581 1.00 0.41 H new ATOM 165 N ARG A 12 -3.003 5.307 8.150 1.00 0.35 N ATOM 166 CA ARG A 12 -1.776 5.151 8.907 1.00 0.42 C ATOM 167 C ARG A 12 -0.805 4.277 8.132 1.00 0.43 C ATOM 168 O ARG A 12 0.401 4.480 8.190 1.00 0.47 O ATOM 169 CB ARG A 12 -2.050 4.594 10.323 1.00 0.48 C ATOM 170 CG ARG A 12 -2.485 3.130 10.403 1.00 0.49 C ATOM 171 CD ARG A 12 -1.312 2.182 10.236 1.00 0.56 C ATOM 172 NE ARG A 12 -1.574 0.856 10.796 1.00 1.08 N ATOM 173 CZ ARG A 12 -1.931 -0.201 10.069 1.00 1.35 C ATOM 174 NH1 ARG A 12 -2.107 -0.071 8.764 1.00 1.86 N ATOM 175 NH2 ARG A 12 -2.116 -1.381 10.651 1.00 1.95 N ATOM 0 H ARG A 12 -3.793 4.766 8.501 1.00 0.35 H new ATOM 0 HA ARG A 12 -1.321 6.132 9.045 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -1.146 4.715 10.919 1.00 0.48 H new ATOM 0 HB3 ARG A 12 -2.823 5.206 10.788 1.00 0.48 H new ATOM 0 HG2 ARG A 12 -2.967 2.946 11.363 1.00 0.49 H new ATOM 0 HG3 ARG A 12 -3.227 2.929 9.631 1.00 0.49 H new ATOM 0 HD2 ARG A 12 -1.077 2.084 9.176 1.00 0.56 H new ATOM 0 HD3 ARG A 12 -0.433 2.609 10.719 1.00 0.56 H new ATOM 0 HE ARG A 12 -1.477 0.734 11.804 1.00 1.08 H new ATOM 0 HH11 ARG A 12 -1.969 0.836 8.319 1.00 1.86 H new ATOM 0 HH12 ARG A 12 -2.380 -0.878 8.203 1.00 1.86 H new ATOM 0 HH21 ARG A 12 -1.985 -1.479 11.658 1.00 1.95 H new ATOM 0 HH22 ARG A 12 -2.389 -2.189 10.091 1.00 1.95 H new ATOM 189 N CYS A 13 -1.351 3.327 7.376 1.00 0.42 N ATOM 190 CA CYS A 13 -0.547 2.392 6.598 1.00 0.44 C ATOM 191 C CYS A 13 0.258 3.199 5.613 1.00 0.30 C ATOM 192 O CYS A 13 1.459 3.021 5.452 1.00 0.29 O ATOM 193 CB CYS A 13 -1.456 1.378 5.861 1.00 0.57 C ATOM 194 SG CYS A 13 -1.826 1.781 4.137 1.00 2.16 S ATOM 0 H CYS A 13 -2.357 3.185 7.287 1.00 0.42 H new ATOM 0 HA CYS A 13 0.114 1.821 7.250 1.00 0.44 H new ATOM 0 HB2 CYS A 13 -0.980 0.398 5.894 1.00 0.57 H new ATOM 0 HB3 CYS A 13 -2.396 1.294 6.407 1.00 0.57 H new ATOM 0 HG CYS A 13 -2.838 2.596 4.089 1.00 2.16 H new ATOM 200 N ILE A 14 -0.431 4.158 5.036 1.00 0.26 N ATOM 201 CA ILE A 14 0.114 5.015 4.027 1.00 0.24 C ATOM 202 C ILE A 14 1.206 5.915 4.582 1.00 0.21 C ATOM 203 O ILE A 14 2.271 6.045 3.986 1.00 0.23 O ATOM 204 CB ILE A 14 -1.020 5.851 3.419 1.00 0.24 C ATOM 205 CG1 ILE A 14 -1.857 4.980 2.484 1.00 0.25 C ATOM 206 CG2 ILE A 14 -0.479 7.066 2.697 1.00 0.27 C ATOM 207 CD1 ILE A 14 -3.177 5.604 2.119 1.00 0.27 C ATOM 0 H ILE A 14 -1.404 4.362 5.265 1.00 0.26 H new ATOM 0 HA ILE A 14 0.574 4.398 3.255 1.00 0.24 H new ATOM 0 HB ILE A 14 -1.658 6.214 4.225 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -1.290 4.786 1.574 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -2.037 4.016 2.960 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -1.306 7.638 2.277 1.00 0.27 H new ATOM 0 HG22 ILE A 14 0.074 7.690 3.399 1.00 0.27 H new ATOM 0 HG23 ILE A 14 0.185 6.746 1.894 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -3.724 4.936 1.453 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -3.762 5.773 3.023 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -3.003 6.555 1.616 1.00 0.27 H new ATOM 219 N GLU A 15 0.961 6.501 5.742 1.00 0.24 N ATOM 220 CA GLU A 15 1.900 7.441 6.310 1.00 0.28 C ATOM 221 C GLU A 15 3.101 6.707 6.833 1.00 0.30 C ATOM 222 O GLU A 15 4.195 7.261 6.922 1.00 0.34 O ATOM 223 CB GLU A 15 1.279 8.221 7.448 1.00 0.32 C ATOM 224 CG GLU A 15 0.053 9.024 7.046 1.00 0.33 C ATOM 225 CD GLU A 15 -0.465 9.894 8.175 1.00 0.38 C ATOM 226 OE1 GLU A 15 -0.663 9.374 9.293 1.00 1.06 O ATOM 227 OE2 GLU A 15 -0.659 11.106 7.955 1.00 1.26 O ATOM 0 H GLU A 15 0.124 6.341 6.302 1.00 0.24 H new ATOM 0 HA GLU A 15 2.190 8.136 5.522 1.00 0.28 H new ATOM 0 HB2 GLU A 15 1.003 7.528 8.243 1.00 0.32 H new ATOM 0 HB3 GLU A 15 2.026 8.899 7.861 1.00 0.32 H new ATOM 0 HG2 GLU A 15 0.299 9.653 6.190 1.00 0.33 H new ATOM 0 HG3 GLU A 15 -0.735 8.343 6.725 1.00 0.33 H new ATOM 234 N SER A 16 2.901 5.456 7.188 1.00 0.31 N ATOM 235 CA SER A 16 3.994 4.684 7.695 1.00 0.38 C ATOM 236 C SER A 16 4.833 4.153 6.534 1.00 0.29 C ATOM 237 O SER A 16 6.026 3.928 6.691 1.00 0.28 O ATOM 238 CB SER A 16 3.516 3.561 8.608 1.00 0.54 C ATOM 239 OG SER A 16 2.522 4.002 9.516 1.00 0.97 O ATOM 0 H SER A 16 2.007 4.967 7.134 1.00 0.31 H new ATOM 0 HA SER A 16 4.622 5.331 8.307 1.00 0.38 H new ATOM 0 HB2 SER A 16 3.118 2.746 8.003 1.00 0.54 H new ATOM 0 HB3 SER A 16 4.363 3.161 9.164 1.00 0.54 H new ATOM 0 HG SER A 16 1.636 3.875 9.118 1.00 0.97 H new ATOM 245 N LEU A 17 4.213 3.976 5.360 1.00 0.27 N ATOM 246 CA LEU A 17 4.977 3.710 4.140 1.00 0.28 C ATOM 247 C LEU A 17 5.886 4.900 3.879 1.00 0.27 C ATOM 248 O LEU A 17 7.024 4.747 3.457 1.00 0.32 O ATOM 249 CB LEU A 17 4.066 3.494 2.923 1.00 0.29 C ATOM 250 CG LEU A 17 3.004 2.405 3.081 1.00 0.33 C ATOM 251 CD1 LEU A 17 1.991 2.458 1.946 1.00 0.33 C ATOM 252 CD2 LEU A 17 3.637 1.019 3.155 1.00 0.46 C ATOM 0 H LEU A 17 3.202 4.012 5.232 1.00 0.27 H new ATOM 0 HA LEU A 17 5.551 2.795 4.285 1.00 0.28 H new ATOM 0 HB2 LEU A 17 3.565 4.435 2.694 1.00 0.29 H new ATOM 0 HB3 LEU A 17 4.689 3.247 2.064 1.00 0.29 H new ATOM 0 HG LEU A 17 2.483 2.595 4.020 1.00 0.33 H new ATOM 0 HD11 LEU A 17 1.248 1.672 2.084 1.00 0.33 H new ATOM 0 HD12 LEU A 17 1.496 3.429 1.945 1.00 0.33 H new ATOM 0 HD13 LEU A 17 2.502 2.310 0.995 1.00 0.33 H new ATOM 0 HD21 LEU A 17 2.855 0.268 3.267 1.00 0.46 H new ATOM 0 HD22 LEU A 17 4.198 0.826 2.240 1.00 0.46 H new ATOM 0 HD23 LEU A 17 4.311 0.972 4.010 1.00 0.46 H new ATOM 264 N ILE A 18 5.358 6.092 4.148 1.00 0.27 N ATOM 265 CA ILE A 18 6.138 7.318 4.094 1.00 0.30 C ATOM 266 C ILE A 18 7.293 7.233 5.088 1.00 0.28 C ATOM 267 O ILE A 18 8.425 7.594 4.771 1.00 0.30 O ATOM 268 CB ILE A 18 5.247 8.570 4.378 1.00 0.36 C ATOM 269 CG1 ILE A 18 4.607 9.094 3.085 1.00 0.63 C ATOM 270 CG2 ILE A 18 6.044 9.686 5.036 1.00 0.47 C ATOM 271 CD1 ILE A 18 3.698 8.111 2.382 1.00 1.37 C ATOM 0 H ILE A 18 4.382 6.231 4.408 1.00 0.27 H new ATOM 0 HA ILE A 18 6.542 7.431 3.088 1.00 0.30 H new ATOM 0 HB ILE A 18 4.462 8.252 5.064 1.00 0.36 H new ATOM 0 HG12 ILE A 18 4.036 9.993 3.318 1.00 0.63 H new ATOM 0 HG13 ILE A 18 5.400 9.389 2.398 1.00 0.63 H new ATOM 0 HG21 ILE A 18 5.392 10.540 5.218 1.00 0.47 H new ATOM 0 HG22 ILE A 18 6.452 9.332 5.983 1.00 0.47 H new ATOM 0 HG23 ILE A 18 6.860 9.987 4.379 1.00 0.47 H new ATOM 0 HD11 ILE A 18 3.293 8.570 1.480 1.00 1.37 H new ATOM 0 HD12 ILE A 18 4.265 7.220 2.112 1.00 1.37 H new ATOM 0 HD13 ILE A 18 2.880 7.833 3.046 1.00 1.37 H new ATOM 283 N ALA A 19 6.998 6.701 6.266 1.00 0.25 N ATOM 284 CA ALA A 19 7.991 6.551 7.317 1.00 0.25 C ATOM 285 C ALA A 19 9.107 5.592 6.906 1.00 0.23 C ATOM 286 O ALA A 19 10.289 5.926 7.002 1.00 0.28 O ATOM 287 CB ALA A 19 7.325 6.067 8.599 1.00 0.28 C ATOM 0 H ALA A 19 6.069 6.363 6.518 1.00 0.25 H new ATOM 0 HA ALA A 19 8.443 7.527 7.492 1.00 0.25 H new ATOM 0 HB1 ALA A 19 8.077 5.958 9.381 1.00 0.28 H new ATOM 0 HB2 ALA A 19 6.575 6.792 8.916 1.00 0.28 H new ATOM 0 HB3 ALA A 19 6.846 5.105 8.419 1.00 0.28 H new ATOM 293 N VAL A 20 8.729 4.405 6.441 1.00 0.20 N ATOM 294 CA VAL A 20 9.694 3.373 6.091 1.00 0.22 C ATOM 295 C VAL A 20 10.440 3.733 4.827 1.00 0.23 C ATOM 296 O VAL A 20 11.651 3.516 4.718 1.00 0.27 O ATOM 297 CB VAL A 20 9.014 2.002 5.920 1.00 0.27 C ATOM 298 CG1 VAL A 20 8.131 1.758 7.093 1.00 0.87 C ATOM 299 CG2 VAL A 20 8.207 1.901 4.635 1.00 0.87 C ATOM 0 H VAL A 20 7.756 4.135 6.298 1.00 0.20 H new ATOM 0 HA VAL A 20 10.405 3.307 6.914 1.00 0.22 H new ATOM 0 HB VAL A 20 9.796 1.245 5.858 1.00 0.27 H new ATOM 0 HG11 VAL A 20 7.642 0.790 6.985 1.00 0.87 H new ATOM 0 HG12 VAL A 20 8.728 1.764 8.005 1.00 0.87 H new ATOM 0 HG13 VAL A 20 7.375 2.542 7.149 1.00 0.87 H new ATOM 0 HG21 VAL A 20 7.751 0.913 4.569 1.00 0.87 H new ATOM 0 HG22 VAL A 20 7.427 2.662 4.635 1.00 0.87 H new ATOM 0 HG23 VAL A 20 8.864 2.055 3.779 1.00 0.87 H new ATOM 309 N PHE A 21 9.716 4.290 3.878 1.00 0.23 N ATOM 310 CA PHE A 21 10.327 4.699 2.630 1.00 0.25 C ATOM 311 C PHE A 21 11.384 5.765 2.878 1.00 0.29 C ATOM 312 O PHE A 21 12.533 5.612 2.479 1.00 0.35 O ATOM 313 CB PHE A 21 9.281 5.225 1.653 1.00 0.26 C ATOM 314 CG PHE A 21 9.862 5.586 0.321 1.00 0.91 C ATOM 315 CD1 PHE A 21 10.362 6.857 0.087 1.00 1.59 C ATOM 316 CD2 PHE A 21 9.923 4.651 -0.691 1.00 1.85 C ATOM 317 CE1 PHE A 21 10.908 7.183 -1.132 1.00 2.17 C ATOM 318 CE2 PHE A 21 10.467 4.971 -1.913 1.00 2.48 C ATOM 319 CZ PHE A 21 10.962 6.238 -2.135 1.00 2.40 C ATOM 0 H PHE A 21 8.714 4.469 3.945 1.00 0.23 H new ATOM 0 HA PHE A 21 10.801 3.822 2.189 1.00 0.25 H new ATOM 0 HB2 PHE A 21 8.507 4.470 1.514 1.00 0.26 H new ATOM 0 HB3 PHE A 21 8.797 6.102 2.083 1.00 0.26 H new ATOM 0 HD1 PHE A 21 10.322 7.599 0.870 1.00 1.59 H new ATOM 0 HD2 PHE A 21 9.539 3.656 -0.522 1.00 1.85 H new ATOM 0 HE1 PHE A 21 11.294 8.177 -1.304 1.00 2.17 H new ATOM 0 HE2 PHE A 21 10.506 4.230 -2.698 1.00 2.48 H new ATOM 0 HZ PHE A 21 11.392 6.490 -3.093 1.00 2.40 H new ATOM 329 N GLN A 22 10.996 6.825 3.568 1.00 0.30 N ATOM 330 CA GLN A 22 11.860 7.980 3.756 1.00 0.37 C ATOM 331 C GLN A 22 13.003 7.703 4.721 1.00 0.36 C ATOM 332 O GLN A 22 13.993 8.430 4.727 1.00 0.44 O ATOM 333 CB GLN A 22 11.034 9.181 4.211 1.00 0.47 C ATOM 334 CG GLN A 22 10.481 9.996 3.053 1.00 1.12 C ATOM 335 CD GLN A 22 11.566 10.704 2.258 1.00 1.98 C ATOM 336 OE1 GLN A 22 12.607 11.081 2.796 1.00 2.68 O ATOM 337 NE2 GLN A 22 11.330 10.887 0.968 1.00 2.66 N ATOM 0 H GLN A 22 10.081 6.910 4.011 1.00 0.30 H new ATOM 0 HA GLN A 22 12.319 8.207 2.794 1.00 0.37 H new ATOM 0 HB2 GLN A 22 10.207 8.833 4.830 1.00 0.47 H new ATOM 0 HB3 GLN A 22 11.652 9.824 4.837 1.00 0.47 H new ATOM 0 HG2 GLN A 22 9.920 9.339 2.388 1.00 1.12 H new ATOM 0 HG3 GLN A 22 9.779 10.735 3.438 1.00 1.12 H new ATOM 0 HE21 GLN A 22 10.455 10.560 0.558 1.00 2.66 H new ATOM 0 HE22 GLN A 22 12.023 11.355 0.384 1.00 2.66 H new ATOM 346 N LYS A 23 12.893 6.665 5.537 1.00 0.35 N ATOM 347 CA LYS A 23 13.986 6.344 6.434 1.00 0.39 C ATOM 348 C LYS A 23 15.090 5.593 5.691 1.00 0.40 C ATOM 349 O LYS A 23 16.273 5.801 5.954 1.00 0.49 O ATOM 350 CB LYS A 23 13.499 5.539 7.638 1.00 0.41 C ATOM 351 CG LYS A 23 13.034 4.154 7.307 1.00 0.42 C ATOM 352 CD LYS A 23 12.311 3.556 8.482 1.00 0.63 C ATOM 353 CE LYS A 23 12.232 2.058 8.342 1.00 0.63 C ATOM 354 NZ LYS A 23 11.541 1.408 9.486 1.00 0.91 N ATOM 0 H LYS A 23 12.082 6.049 5.595 1.00 0.35 H new ATOM 0 HA LYS A 23 14.398 7.282 6.807 1.00 0.39 H new ATOM 0 HB2 LYS A 23 14.307 5.474 8.367 1.00 0.41 H new ATOM 0 HB3 LYS A 23 12.682 6.080 8.115 1.00 0.41 H new ATOM 0 HG2 LYS A 23 12.374 4.181 6.440 1.00 0.42 H new ATOM 0 HG3 LYS A 23 13.887 3.530 7.039 1.00 0.42 H new ATOM 0 HD2 LYS A 23 12.829 3.815 9.406 1.00 0.63 H new ATOM 0 HD3 LYS A 23 11.307 3.975 8.551 1.00 0.63 H new ATOM 0 HE2 LYS A 23 11.707 1.811 7.419 1.00 0.63 H new ATOM 0 HE3 LYS A 23 13.240 1.652 8.254 1.00 0.63 H new ATOM 0 HZ1 LYS A 23 11.126 0.507 9.174 1.00 0.91 H new ATOM 0 HZ2 LYS A 23 12.225 1.229 10.248 1.00 0.91 H new ATOM 0 HZ3 LYS A 23 10.787 2.033 9.837 1.00 0.91 H new ATOM 368 N TYR A 24 14.706 4.725 4.758 1.00 0.36 N ATOM 369 CA TYR A 24 15.683 3.970 3.988 1.00 0.39 C ATOM 370 C TYR A 24 16.159 4.746 2.769 1.00 0.34 C ATOM 371 O TYR A 24 17.343 4.743 2.448 1.00 0.40 O ATOM 372 CB TYR A 24 15.123 2.615 3.580 1.00 0.46 C ATOM 373 CG TYR A 24 15.427 1.531 4.589 1.00 0.86 C ATOM 374 CD1 TYR A 24 16.605 0.801 4.507 1.00 1.67 C ATOM 375 CD2 TYR A 24 14.552 1.247 5.630 1.00 1.52 C ATOM 376 CE1 TYR A 24 16.902 -0.182 5.428 1.00 1.99 C ATOM 377 CE2 TYR A 24 14.843 0.262 6.555 1.00 1.83 C ATOM 378 CZ TYR A 24 16.021 -0.447 6.450 1.00 1.72 C ATOM 379 OH TYR A 24 16.320 -1.425 7.371 1.00 2.15 O ATOM 0 H TYR A 24 13.733 4.530 4.520 1.00 0.36 H new ATOM 0 HA TYR A 24 16.548 3.805 4.631 1.00 0.39 H new ATOM 0 HB2 TYR A 24 14.043 2.696 3.454 1.00 0.46 H new ATOM 0 HB3 TYR A 24 15.537 2.332 2.612 1.00 0.46 H new ATOM 0 HD1 TYR A 24 17.302 1.006 3.708 1.00 1.67 H new ATOM 0 HD2 TYR A 24 13.631 1.804 5.718 1.00 1.52 H new ATOM 0 HE1 TYR A 24 17.822 -0.741 5.347 1.00 1.99 H new ATOM 0 HE2 TYR A 24 14.151 0.049 7.356 1.00 1.83 H new ATOM 0 HH TYR A 24 16.013 -2.294 7.037 1.00 2.15 H new ATOM 389 N ALA A 25 15.239 5.417 2.096 1.00 0.29 N ATOM 390 CA ALA A 25 15.593 6.273 0.974 1.00 0.34 C ATOM 391 C ALA A 25 16.364 7.483 1.481 1.00 0.47 C ATOM 392 O ALA A 25 17.103 8.136 0.739 1.00 0.58 O ATOM 393 CB ALA A 25 14.343 6.706 0.223 1.00 0.37 C ATOM 0 H ALA A 25 14.241 5.386 2.306 1.00 0.29 H new ATOM 0 HA ALA A 25 16.225 5.716 0.282 1.00 0.34 H new ATOM 0 HB1 ALA A 25 14.624 7.346 -0.613 1.00 0.37 H new ATOM 0 HB2 ALA A 25 13.821 5.826 -0.153 1.00 0.37 H new ATOM 0 HB3 ALA A 25 13.686 7.257 0.896 1.00 0.37 H new ATOM 399 N GLY A 26 16.191 7.759 2.767 1.00 0.49 N ATOM 400 CA GLY A 26 16.870 8.872 3.392 1.00 0.64 C ATOM 401 C GLY A 26 18.267 8.515 3.867 1.00 0.75 C ATOM 402 O GLY A 26 19.007 9.383 4.327 1.00 0.96 O ATOM 0 H GLY A 26 15.586 7.225 3.391 1.00 0.49 H new ATOM 0 HA2 GLY A 26 16.932 9.698 2.684 1.00 0.64 H new ATOM 0 HA3 GLY A 26 16.281 9.222 4.240 1.00 0.64 H new ATOM 406 N LYS A 27 18.633 7.240 3.745 1.00 0.69 N ATOM 407 CA LYS A 27 19.956 6.783 4.163 1.00 0.82 C ATOM 408 C LYS A 27 21.028 7.346 3.241 1.00 0.95 C ATOM 409 O LYS A 27 21.960 8.016 3.693 1.00 1.11 O ATOM 410 CB LYS A 27 20.030 5.254 4.157 1.00 0.77 C ATOM 411 CG LYS A 27 19.194 4.576 5.229 1.00 0.81 C ATOM 412 CD LYS A 27 19.042 3.084 4.958 1.00 0.85 C ATOM 413 CE LYS A 27 20.378 2.356 4.929 1.00 1.11 C ATOM 414 NZ LYS A 27 21.064 2.382 6.248 1.00 1.72 N ATOM 0 H LYS A 27 18.034 6.508 3.362 1.00 0.69 H new ATOM 0 HA LYS A 27 20.129 7.141 5.178 1.00 0.82 H new ATOM 0 HB2 LYS A 27 19.708 4.892 3.181 1.00 0.77 H new ATOM 0 HB3 LYS A 27 21.070 4.953 4.282 1.00 0.77 H new ATOM 0 HG2 LYS A 27 19.660 4.724 6.203 1.00 0.81 H new ATOM 0 HG3 LYS A 27 18.209 5.041 5.272 1.00 0.81 H new ATOM 0 HD2 LYS A 27 18.408 2.642 5.726 1.00 0.85 H new ATOM 0 HD3 LYS A 27 18.534 2.942 4.004 1.00 0.85 H new ATOM 0 HE2 LYS A 27 20.219 1.321 4.625 1.00 1.11 H new ATOM 0 HE3 LYS A 27 21.022 2.813 4.178 1.00 1.11 H new ATOM 0 HZ1 LYS A 27 21.927 1.803 6.202 1.00 1.72 H new ATOM 0 HZ2 LYS A 27 21.317 3.362 6.489 1.00 1.72 H new ATOM 0 HZ3 LYS A 27 20.429 1.999 6.977 1.00 1.72 H new ATOM 428 N ASP A 28 20.894 7.079 1.944 1.00 1.00 N ATOM 429 CA ASP A 28 21.846 7.587 0.962 1.00 1.19 C ATOM 430 C ASP A 28 21.659 9.091 0.787 1.00 1.26 C ATOM 431 O ASP A 28 22.583 9.813 0.409 1.00 1.58 O ATOM 432 CB ASP A 28 21.683 6.874 -0.387 1.00 1.33 C ATOM 433 CG ASP A 28 22.918 6.987 -1.265 1.00 1.65 C ATOM 434 OD1 ASP A 28 23.150 8.065 -1.851 1.00 2.16 O ATOM 435 OD2 ASP A 28 23.667 5.989 -1.380 1.00 2.08 O ATOM 0 H ASP A 28 20.139 6.517 1.551 1.00 1.00 H new ATOM 0 HA ASP A 28 22.853 7.389 1.329 1.00 1.19 H new ATOM 0 HB2 ASP A 28 21.462 5.821 -0.212 1.00 1.33 H new ATOM 0 HB3 ASP A 28 20.828 7.296 -0.915 1.00 1.33 H new ATOM 440 N GLY A 29 20.452 9.560 1.088 1.00 1.15 N ATOM 441 CA GLY A 29 20.177 10.982 1.079 1.00 1.32 C ATOM 442 C GLY A 29 19.621 11.472 -0.239 1.00 1.51 C ATOM 443 O GLY A 29 20.062 12.499 -0.758 1.00 1.64 O ATOM 0 H GLY A 29 19.656 8.974 1.339 1.00 1.15 H new ATOM 0 HA2 GLY A 29 19.468 11.214 1.874 1.00 1.32 H new ATOM 0 HA3 GLY A 29 21.095 11.525 1.303 1.00 1.32 H new ATOM 447 N TYR A 30 18.653 10.751 -0.785 1.00 2.07 N ATOM 448 CA TYR A 30 18.028 11.151 -2.039 1.00 2.80 C ATOM 449 C TYR A 30 16.742 11.925 -1.782 1.00 2.61 C ATOM 450 O TYR A 30 16.345 12.116 -0.630 1.00 3.02 O ATOM 451 CB TYR A 30 17.738 9.934 -2.919 1.00 3.68 C ATOM 452 CG TYR A 30 18.971 9.339 -3.556 1.00 4.52 C ATOM 453 CD1 TYR A 30 19.603 9.979 -4.615 1.00 5.11 C ATOM 454 CD2 TYR A 30 19.500 8.141 -3.105 1.00 5.12 C ATOM 455 CE1 TYR A 30 20.731 9.439 -5.204 1.00 6.04 C ATOM 456 CE2 TYR A 30 20.626 7.595 -3.688 1.00 6.09 C ATOM 457 CZ TYR A 30 21.238 8.247 -4.736 1.00 6.45 C ATOM 458 OH TYR A 30 22.364 7.704 -5.314 1.00 7.51 O ATOM 0 H TYR A 30 18.284 9.890 -0.382 1.00 2.07 H new ATOM 0 HA TYR A 30 18.728 11.801 -2.564 1.00 2.80 H new ATOM 0 HB2 TYR A 30 17.246 9.170 -2.317 1.00 3.68 H new ATOM 0 HB3 TYR A 30 17.038 10.222 -3.703 1.00 3.68 H new ATOM 0 HD1 TYR A 30 19.207 10.913 -4.984 1.00 5.11 H new ATOM 0 HD2 TYR A 30 19.024 7.626 -2.284 1.00 5.12 H new ATOM 0 HE1 TYR A 30 21.212 9.949 -6.026 1.00 6.04 H new ATOM 0 HE2 TYR A 30 21.026 6.660 -3.324 1.00 6.09 H new ATOM 0 HH TYR A 30 22.589 6.863 -4.865 1.00 7.51 H new ATOM 468 N ASN A 31 16.104 12.376 -2.854 1.00 2.62 N ATOM 469 CA ASN A 31 14.852 13.116 -2.744 1.00 2.78 C ATOM 470 C ASN A 31 13.745 12.201 -2.236 1.00 1.96 C ATOM 471 O ASN A 31 13.306 12.312 -1.088 1.00 2.53 O ATOM 472 CB ASN A 31 14.448 13.722 -4.094 1.00 3.85 C ATOM 473 CG ASN A 31 15.310 14.904 -4.498 1.00 4.61 C ATOM 474 OD1 ASN A 31 15.004 16.051 -4.171 1.00 4.92 O ATOM 475 ND2 ASN A 31 16.383 14.638 -5.225 1.00 5.33 N ATOM 0 H ASN A 31 16.432 12.243 -3.810 1.00 2.62 H new ATOM 0 HA ASN A 31 15.002 13.929 -2.034 1.00 2.78 H new ATOM 0 HB2 ASN A 31 14.512 12.953 -4.864 1.00 3.85 H new ATOM 0 HB3 ASN A 31 13.406 14.039 -4.046 1.00 3.85 H new ATOM 0 HD21 ASN A 31 16.990 15.397 -5.535 1.00 5.33 H new ATOM 0 HD22 ASN A 31 16.603 13.674 -5.476 1.00 5.33 H new ATOM 482 N TYR A 32 13.306 11.290 -3.093 1.00 1.18 N ATOM 483 CA TYR A 32 12.282 10.332 -2.721 1.00 1.18 C ATOM 484 C TYR A 32 12.401 9.052 -3.548 1.00 0.92 C ATOM 485 O TYR A 32 11.423 8.563 -4.114 1.00 1.05 O ATOM 486 CB TYR A 32 10.877 10.949 -2.835 1.00 1.78 C ATOM 487 CG TYR A 32 10.621 11.756 -4.095 1.00 2.38 C ATOM 488 CD1 TYR A 32 10.896 13.119 -4.141 1.00 3.08 C ATOM 489 CD2 TYR A 32 10.092 11.161 -5.230 1.00 2.99 C ATOM 490 CE1 TYR A 32 10.650 13.860 -5.282 1.00 3.93 C ATOM 491 CE2 TYR A 32 9.847 11.894 -6.374 1.00 3.86 C ATOM 492 CZ TYR A 32 10.127 13.241 -6.397 1.00 4.19 C ATOM 493 OH TYR A 32 9.879 13.971 -7.539 1.00 5.19 O ATOM 0 H TYR A 32 13.645 11.196 -4.050 1.00 1.18 H new ATOM 0 HA TYR A 32 12.437 10.064 -1.676 1.00 1.18 H new ATOM 0 HB2 TYR A 32 10.141 10.147 -2.782 1.00 1.78 H new ATOM 0 HB3 TYR A 32 10.710 11.593 -1.971 1.00 1.78 H new ATOM 0 HD1 TYR A 32 11.309 13.607 -3.270 1.00 3.08 H new ATOM 0 HD2 TYR A 32 9.867 10.105 -5.219 1.00 2.99 H new ATOM 0 HE1 TYR A 32 10.866 14.918 -5.300 1.00 3.93 H new ATOM 0 HE2 TYR A 32 9.437 11.411 -7.249 1.00 3.86 H new ATOM 0 HH TYR A 32 9.512 13.382 -8.231 1.00 5.19 H new ATOM 503 N THR A 33 13.613 8.518 -3.604 1.00 0.67 N ATOM 504 CA THR A 33 13.869 7.230 -4.232 1.00 0.46 C ATOM 505 C THR A 33 14.747 6.368 -3.337 1.00 0.38 C ATOM 506 O THR A 33 15.730 6.837 -2.757 1.00 0.44 O ATOM 507 CB THR A 33 14.542 7.380 -5.610 1.00 0.45 C ATOM 508 OG1 THR A 33 15.040 8.714 -5.790 1.00 0.66 O ATOM 509 CG2 THR A 33 13.608 7.015 -6.737 1.00 0.43 C ATOM 0 H THR A 33 14.444 8.964 -3.216 1.00 0.67 H new ATOM 0 HA THR A 33 12.901 6.750 -4.377 1.00 0.46 H new ATOM 0 HB THR A 33 15.379 6.683 -5.636 1.00 0.45 H new ATOM 0 HG1 THR A 33 16.019 8.706 -5.751 1.00 0.66 H new ATOM 0 HG21 THR A 33 14.123 7.135 -7.690 1.00 0.43 H new ATOM 0 HG22 THR A 33 13.290 5.979 -6.625 1.00 0.43 H new ATOM 0 HG23 THR A 33 12.735 7.667 -6.712 1.00 0.43 H new ATOM 517 N LEU A 34 14.357 5.117 -3.212 1.00 0.32 N ATOM 518 CA LEU A 34 15.084 4.135 -2.438 1.00 0.30 C ATOM 519 C LEU A 34 16.123 3.484 -3.331 1.00 0.31 C ATOM 520 O LEU A 34 15.800 2.658 -4.178 1.00 0.34 O ATOM 521 CB LEU A 34 14.070 3.116 -1.902 1.00 0.30 C ATOM 522 CG LEU A 34 14.045 2.924 -0.390 1.00 0.29 C ATOM 523 CD1 LEU A 34 12.701 2.376 0.062 1.00 0.45 C ATOM 524 CD2 LEU A 34 15.150 1.988 0.034 1.00 0.28 C ATOM 0 H LEU A 34 13.514 4.749 -3.652 1.00 0.32 H new ATOM 0 HA LEU A 34 15.605 4.587 -1.594 1.00 0.30 H new ATOM 0 HB2 LEU A 34 13.075 3.420 -2.225 1.00 0.30 H new ATOM 0 HB3 LEU A 34 14.275 2.152 -2.367 1.00 0.30 H new ATOM 0 HG LEU A 34 14.199 3.895 0.080 1.00 0.29 H new ATOM 0 HD11 LEU A 34 12.706 2.247 1.144 1.00 0.45 H new ATOM 0 HD12 LEU A 34 11.911 3.074 -0.217 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.521 1.414 -0.417 1.00 0.45 H new ATOM 0 HD21 LEU A 34 15.122 1.859 1.116 1.00 0.28 H new ATOM 0 HD22 LEU A 34 15.014 1.021 -0.451 1.00 0.28 H new ATOM 0 HD23 LEU A 34 16.113 2.407 -0.257 1.00 0.28 H new ATOM 536 N SER A 35 17.371 3.884 -3.142 1.00 0.32 N ATOM 537 CA SER A 35 18.444 3.495 -4.039 1.00 0.33 C ATOM 538 C SER A 35 18.738 1.999 -3.952 1.00 0.32 C ATOM 539 O SER A 35 18.233 1.313 -3.064 1.00 0.30 O ATOM 540 CB SER A 35 19.692 4.335 -3.760 1.00 0.37 C ATOM 541 OG SER A 35 20.720 4.072 -4.701 1.00 0.40 O ATOM 0 H SER A 35 17.665 4.482 -2.370 1.00 0.32 H new ATOM 0 HA SER A 35 18.123 3.689 -5.062 1.00 0.33 H new ATOM 0 HB2 SER A 35 19.433 5.393 -3.790 1.00 0.37 H new ATOM 0 HB3 SER A 35 20.056 4.124 -2.754 1.00 0.37 H new ATOM 0 HG SER A 35 21.502 4.626 -4.495 1.00 0.40 H new ATOM 547 N LYS A 36 19.570 1.521 -4.879 1.00 0.38 N ATOM 548 CA LYS A 36 19.816 0.093 -5.073 1.00 0.42 C ATOM 549 C LYS A 36 20.072 -0.621 -3.756 1.00 0.36 C ATOM 550 O LYS A 36 19.287 -1.467 -3.336 1.00 0.35 O ATOM 551 CB LYS A 36 21.013 -0.105 -6.009 1.00 0.53 C ATOM 552 CG LYS A 36 21.360 -1.563 -6.269 1.00 0.62 C ATOM 553 CD LYS A 36 20.253 -2.270 -7.031 1.00 0.66 C ATOM 554 CE LYS A 36 20.590 -3.732 -7.286 1.00 0.61 C ATOM 555 NZ LYS A 36 21.804 -3.888 -8.132 1.00 0.65 N ATOM 0 H LYS A 36 20.094 2.118 -5.519 1.00 0.38 H new ATOM 0 HA LYS A 36 18.920 -0.340 -5.518 1.00 0.42 H new ATOM 0 HB2 LYS A 36 20.802 0.383 -6.961 1.00 0.53 H new ATOM 0 HB3 LYS A 36 21.882 0.394 -5.581 1.00 0.53 H new ATOM 0 HG2 LYS A 36 22.289 -1.622 -6.836 1.00 0.62 H new ATOM 0 HG3 LYS A 36 21.533 -2.072 -5.321 1.00 0.62 H new ATOM 0 HD2 LYS A 36 19.323 -2.204 -6.466 1.00 0.66 H new ATOM 0 HD3 LYS A 36 20.085 -1.764 -7.982 1.00 0.66 H new ATOM 0 HE2 LYS A 36 20.745 -4.239 -6.334 1.00 0.61 H new ATOM 0 HE3 LYS A 36 19.745 -4.219 -7.773 1.00 0.61 H new ATOM 0 HZ1 LYS A 36 21.891 -4.879 -8.435 1.00 0.65 H new ATOM 0 HZ2 LYS A 36 21.725 -3.276 -8.969 1.00 0.65 H new ATOM 0 HZ3 LYS A 36 22.646 -3.618 -7.584 1.00 0.65 H new ATOM 569 N THR A 37 21.143 -0.241 -3.091 1.00 0.37 N ATOM 570 CA THR A 37 21.548 -0.882 -1.857 1.00 0.38 C ATOM 571 C THR A 37 20.560 -0.591 -0.735 1.00 0.36 C ATOM 572 O THR A 37 20.421 -1.362 0.217 1.00 0.38 O ATOM 573 CB THR A 37 22.932 -0.384 -1.442 1.00 0.44 C ATOM 574 OG1 THR A 37 23.847 -0.524 -2.538 1.00 0.48 O ATOM 575 CG2 THR A 37 23.449 -1.157 -0.239 1.00 0.49 C ATOM 0 H THR A 37 21.756 0.518 -3.389 1.00 0.37 H new ATOM 0 HA THR A 37 21.573 -1.958 -2.032 1.00 0.38 H new ATOM 0 HB THR A 37 22.850 0.667 -1.166 1.00 0.44 H new ATOM 0 HG1 THR A 37 24.732 -0.202 -2.268 1.00 0.48 H new ATOM 0 HG21 THR A 37 24.435 -0.784 0.037 1.00 0.49 H new ATOM 0 HG22 THR A 37 22.764 -1.026 0.599 1.00 0.49 H new ATOM 0 HG23 THR A 37 23.519 -2.216 -0.489 1.00 0.49 H new ATOM 583 N GLU A 38 19.844 0.510 -0.875 1.00 0.34 N ATOM 584 CA GLU A 38 18.970 0.979 0.175 1.00 0.34 C ATOM 585 C GLU A 38 17.760 0.067 0.292 1.00 0.34 C ATOM 586 O GLU A 38 17.294 -0.207 1.398 1.00 0.48 O ATOM 587 CB GLU A 38 18.550 2.421 -0.089 1.00 0.35 C ATOM 588 CG GLU A 38 19.712 3.330 -0.453 1.00 0.47 C ATOM 589 CD GLU A 38 20.802 3.362 0.597 1.00 1.27 C ATOM 590 OE1 GLU A 38 21.735 2.540 0.510 1.00 2.16 O ATOM 591 OE2 GLU A 38 20.749 4.222 1.490 1.00 1.96 O ATOM 0 H GLU A 38 19.854 1.095 -1.710 1.00 0.34 H new ATOM 0 HA GLU A 38 19.507 0.955 1.123 1.00 0.34 H new ATOM 0 HB2 GLU A 38 17.819 2.437 -0.897 1.00 0.35 H new ATOM 0 HB3 GLU A 38 18.054 2.815 0.798 1.00 0.35 H new ATOM 0 HG2 GLU A 38 20.139 3.000 -1.400 1.00 0.47 H new ATOM 0 HG3 GLU A 38 19.337 4.342 -0.608 1.00 0.47 H new ATOM 598 N PHE A 39 17.259 -0.439 -0.840 1.00 0.29 N ATOM 599 CA PHE A 39 16.132 -1.353 -0.777 1.00 0.31 C ATOM 600 C PHE A 39 16.622 -2.752 -0.539 1.00 0.28 C ATOM 601 O PHE A 39 15.889 -3.597 -0.049 1.00 0.27 O ATOM 602 CB PHE A 39 15.218 -1.316 -2.005 1.00 0.53 C ATOM 603 CG PHE A 39 15.868 -1.518 -3.342 1.00 0.81 C ATOM 604 CD1 PHE A 39 16.221 -2.784 -3.774 1.00 1.78 C ATOM 605 CD2 PHE A 39 16.083 -0.442 -4.183 1.00 1.76 C ATOM 606 CE1 PHE A 39 16.784 -2.971 -5.018 1.00 2.66 C ATOM 607 CE2 PHE A 39 16.650 -0.623 -5.427 1.00 2.62 C ATOM 608 CZ PHE A 39 17.000 -1.889 -5.844 1.00 2.88 C ATOM 0 H PHE A 39 17.607 -0.236 -1.777 1.00 0.29 H new ATOM 0 HA PHE A 39 15.518 -1.015 0.058 1.00 0.31 H new ATOM 0 HB2 PHE A 39 14.452 -2.082 -1.881 1.00 0.53 H new ATOM 0 HB3 PHE A 39 14.707 -0.353 -2.018 1.00 0.53 H new ATOM 0 HD1 PHE A 39 16.054 -3.635 -3.130 1.00 1.78 H new ATOM 0 HD2 PHE A 39 15.804 0.551 -3.862 1.00 1.76 H new ATOM 0 HE1 PHE A 39 17.056 -3.964 -5.345 1.00 2.66 H new ATOM 0 HE2 PHE A 39 16.819 0.226 -6.073 1.00 2.62 H new ATOM 0 HZ PHE A 39 17.444 -2.033 -6.818 1.00 2.88 H new ATOM 618 N LEU A 40 17.863 -2.999 -0.894 1.00 0.33 N ATOM 619 CA LEU A 40 18.484 -4.252 -0.559 1.00 0.37 C ATOM 620 C LEU A 40 18.442 -4.449 0.955 1.00 0.40 C ATOM 621 O LEU A 40 18.073 -5.513 1.458 1.00 0.43 O ATOM 622 CB LEU A 40 19.929 -4.271 -1.039 1.00 0.43 C ATOM 623 CG LEU A 40 20.140 -4.086 -2.544 1.00 0.50 C ATOM 624 CD1 LEU A 40 21.522 -4.561 -2.955 1.00 1.07 C ATOM 625 CD2 LEU A 40 19.063 -4.798 -3.335 1.00 0.46 C ATOM 0 H LEU A 40 18.456 -2.350 -1.412 1.00 0.33 H new ATOM 0 HA LEU A 40 17.942 -5.060 -1.050 1.00 0.37 H new ATOM 0 HB2 LEU A 40 20.475 -3.485 -0.517 1.00 0.43 H new ATOM 0 HB3 LEU A 40 20.376 -5.220 -0.744 1.00 0.43 H new ATOM 0 HG LEU A 40 20.068 -3.022 -2.768 1.00 0.50 H new ATOM 0 HD11 LEU A 40 21.651 -4.421 -4.028 1.00 1.07 H new ATOM 0 HD12 LEU A 40 22.278 -3.986 -2.420 1.00 1.07 H new ATOM 0 HD13 LEU A 40 21.631 -5.618 -2.712 1.00 1.07 H new ATOM 0 HD21 LEU A 40 19.237 -4.650 -4.401 1.00 0.46 H new ATOM 0 HD22 LEU A 40 19.089 -5.864 -3.107 1.00 0.46 H new ATOM 0 HD23 LEU A 40 18.087 -4.393 -3.067 1.00 0.46 H new ATOM 637 N SER A 41 18.817 -3.399 1.668 1.00 0.42 N ATOM 638 CA SER A 41 18.758 -3.389 3.117 1.00 0.52 C ATOM 639 C SER A 41 17.304 -3.408 3.576 1.00 0.45 C ATOM 640 O SER A 41 16.931 -4.191 4.450 1.00 0.47 O ATOM 641 CB SER A 41 19.477 -2.152 3.662 1.00 0.67 C ATOM 642 OG SER A 41 19.567 -2.184 5.077 1.00 1.40 O ATOM 0 H SER A 41 19.169 -2.534 1.258 1.00 0.42 H new ATOM 0 HA SER A 41 19.258 -4.278 3.503 1.00 0.52 H new ATOM 0 HB2 SER A 41 20.478 -2.094 3.234 1.00 0.67 H new ATOM 0 HB3 SER A 41 18.944 -1.254 3.351 1.00 0.67 H new ATOM 0 HG SER A 41 20.032 -1.382 5.393 1.00 1.40 H new ATOM 648 N PHE A 42 16.489 -2.549 2.964 1.00 0.42 N ATOM 649 CA PHE A 42 15.066 -2.458 3.280 1.00 0.46 C ATOM 650 C PHE A 42 14.396 -3.812 3.164 1.00 0.29 C ATOM 651 O PHE A 42 13.880 -4.338 4.131 1.00 0.43 O ATOM 652 CB PHE A 42 14.373 -1.482 2.332 1.00 0.80 C ATOM 653 CG PHE A 42 12.933 -1.233 2.689 1.00 1.89 C ATOM 654 CD1 PHE A 42 11.932 -2.094 2.267 1.00 2.69 C ATOM 655 CD2 PHE A 42 12.587 -0.144 3.464 1.00 2.77 C ATOM 656 CE1 PHE A 42 10.616 -1.869 2.613 1.00 3.73 C ATOM 657 CE2 PHE A 42 11.276 0.085 3.816 1.00 3.80 C ATOM 658 CZ PHE A 42 10.288 -0.777 3.391 1.00 4.13 C ATOM 0 H PHE A 42 16.796 -1.900 2.239 1.00 0.42 H new ATOM 0 HA PHE A 42 14.978 -2.102 4.307 1.00 0.46 H new ATOM 0 HB2 PHE A 42 14.912 -0.534 2.339 1.00 0.80 H new ATOM 0 HB3 PHE A 42 14.427 -1.872 1.316 1.00 0.80 H new ATOM 0 HD1 PHE A 42 12.185 -2.951 1.660 1.00 2.69 H new ATOM 0 HD2 PHE A 42 13.355 0.537 3.799 1.00 2.77 H new ATOM 0 HE1 PHE A 42 9.844 -2.545 2.276 1.00 3.73 H new ATOM 0 HE2 PHE A 42 11.022 0.940 4.425 1.00 3.80 H new ATOM 0 HZ PHE A 42 9.259 -0.598 3.666 1.00 4.13 H new ATOM 668 N MET A 43 14.409 -4.364 1.974 1.00 0.26 N ATOM 669 CA MET A 43 13.724 -5.613 1.701 1.00 0.29 C ATOM 670 C MET A 43 14.186 -6.745 2.610 1.00 0.29 C ATOM 671 O MET A 43 13.383 -7.573 3.015 1.00 0.37 O ATOM 672 CB MET A 43 13.929 -6.022 0.260 1.00 0.39 C ATOM 673 CG MET A 43 12.927 -5.430 -0.722 1.00 0.62 C ATOM 674 SD MET A 43 12.951 -3.630 -0.767 1.00 1.22 S ATOM 675 CE MET A 43 12.010 -3.324 -2.257 1.00 2.26 C ATOM 0 H MET A 43 14.891 -3.965 1.169 1.00 0.26 H new ATOM 0 HA MET A 43 12.666 -5.436 1.896 1.00 0.29 H new ATOM 0 HB2 MET A 43 14.933 -5.729 -0.047 1.00 0.39 H new ATOM 0 HB3 MET A 43 13.881 -7.109 0.195 1.00 0.39 H new ATOM 0 HG2 MET A 43 13.137 -5.814 -1.720 1.00 0.62 H new ATOM 0 HG3 MET A 43 11.925 -5.766 -0.455 1.00 0.62 H new ATOM 0 HE1 MET A 43 11.767 -2.263 -2.322 1.00 2.26 H new ATOM 0 HE2 MET A 43 12.600 -3.615 -3.126 1.00 2.26 H new ATOM 0 HE3 MET A 43 11.089 -3.907 -2.232 1.00 2.26 H new ATOM 685 N ASN A 44 15.470 -6.797 2.930 1.00 0.29 N ATOM 686 CA ASN A 44 15.969 -7.868 3.789 1.00 0.33 C ATOM 687 C ASN A 44 15.582 -7.654 5.244 1.00 0.32 C ATOM 688 O ASN A 44 15.630 -8.587 6.041 1.00 0.39 O ATOM 689 CB ASN A 44 17.481 -8.007 3.707 1.00 0.42 C ATOM 690 CG ASN A 44 17.959 -8.699 2.448 1.00 1.05 C ATOM 691 OD1 ASN A 44 17.339 -8.611 1.398 1.00 1.54 O ATOM 692 ND2 ASN A 44 19.075 -9.403 2.552 1.00 1.83 N ATOM 0 H ASN A 44 16.174 -6.128 2.618 1.00 0.29 H new ATOM 0 HA ASN A 44 15.504 -8.782 3.421 1.00 0.33 H new ATOM 0 HB2 ASN A 44 17.932 -7.016 3.760 1.00 0.42 H new ATOM 0 HB3 ASN A 44 17.834 -8.565 4.574 1.00 0.42 H new ATOM 0 HD21 ASN A 44 19.445 -9.895 1.739 1.00 1.83 H new ATOM 0 HD22 ASN A 44 19.565 -9.453 3.445 1.00 1.83 H new ATOM 699 N THR A 45 15.222 -6.430 5.600 1.00 0.26 N ATOM 700 CA THR A 45 14.839 -6.135 6.980 1.00 0.29 C ATOM 701 C THR A 45 13.335 -5.991 7.127 1.00 0.28 C ATOM 702 O THR A 45 12.680 -6.768 7.824 1.00 0.34 O ATOM 703 CB THR A 45 15.500 -4.838 7.487 1.00 0.29 C ATOM 704 OG1 THR A 45 15.359 -3.798 6.510 1.00 0.34 O ATOM 705 CG2 THR A 45 16.972 -5.056 7.786 1.00 0.34 C ATOM 0 H THR A 45 15.186 -5.632 4.965 1.00 0.26 H new ATOM 0 HA THR A 45 15.184 -6.980 7.576 1.00 0.29 H new ATOM 0 HB THR A 45 14.998 -4.544 8.409 1.00 0.29 H new ATOM 0 HG1 THR A 45 15.948 -3.982 5.749 1.00 0.34 H new ATOM 0 HG21 THR A 45 17.413 -4.125 8.142 1.00 0.34 H new ATOM 0 HG22 THR A 45 17.078 -5.824 8.553 1.00 0.34 H new ATOM 0 HG23 THR A 45 17.484 -5.376 6.879 1.00 0.34 H new ATOM 713 N GLU A 46 12.802 -5.005 6.438 1.00 0.23 N ATOM 714 CA GLU A 46 11.413 -4.632 6.549 1.00 0.25 C ATOM 715 C GLU A 46 10.528 -5.545 5.706 1.00 0.25 C ATOM 716 O GLU A 46 9.313 -5.493 5.811 1.00 0.34 O ATOM 717 CB GLU A 46 11.231 -3.173 6.122 1.00 0.29 C ATOM 718 CG GLU A 46 12.178 -2.198 6.814 1.00 0.58 C ATOM 719 CD GLU A 46 11.925 -2.068 8.305 1.00 1.17 C ATOM 720 OE1 GLU A 46 12.468 -2.881 9.078 1.00 1.70 O ATOM 721 OE2 GLU A 46 11.198 -1.135 8.714 1.00 1.68 O ATOM 0 H GLU A 46 13.330 -4.434 5.778 1.00 0.23 H new ATOM 0 HA GLU A 46 11.110 -4.742 7.590 1.00 0.25 H new ATOM 0 HB2 GLU A 46 11.376 -3.100 5.044 1.00 0.29 H new ATOM 0 HB3 GLU A 46 10.204 -2.871 6.326 1.00 0.29 H new ATOM 0 HG2 GLU A 46 13.205 -2.526 6.654 1.00 0.58 H new ATOM 0 HG3 GLU A 46 12.081 -1.217 6.349 1.00 0.58 H new ATOM 728 N LEU A 47 11.131 -6.368 4.858 1.00 0.25 N ATOM 729 CA LEU A 47 10.365 -7.316 4.057 1.00 0.26 C ATOM 730 C LEU A 47 10.997 -8.690 4.071 1.00 0.28 C ATOM 731 O LEU A 47 10.854 -9.461 3.122 1.00 0.30 O ATOM 732 CB LEU A 47 10.235 -6.819 2.623 1.00 0.26 C ATOM 733 CG LEU A 47 9.389 -5.567 2.464 1.00 0.27 C ATOM 734 CD1 LEU A 47 9.412 -5.095 1.024 1.00 0.32 C ATOM 735 CD2 LEU A 47 7.966 -5.842 2.930 1.00 0.27 C ATOM 0 H LEU A 47 12.139 -6.399 4.707 1.00 0.25 H new ATOM 0 HA LEU A 47 9.372 -7.394 4.500 1.00 0.26 H new ATOM 0 HB2 LEU A 47 11.232 -6.621 2.229 1.00 0.26 H new ATOM 0 HB3 LEU A 47 9.803 -7.614 2.014 1.00 0.26 H new ATOM 0 HG LEU A 47 9.805 -4.772 3.083 1.00 0.27 H new ATOM 0 HD11 LEU A 47 8.802 -4.197 0.926 1.00 0.32 H new ATOM 0 HD12 LEU A 47 10.438 -4.870 0.731 1.00 0.32 H new ATOM 0 HD13 LEU A 47 9.013 -5.877 0.378 1.00 0.32 H new ATOM 0 HD21 LEU A 47 7.364 -4.941 2.814 1.00 0.27 H new ATOM 0 HD22 LEU A 47 7.536 -6.645 2.332 1.00 0.27 H new ATOM 0 HD23 LEU A 47 7.977 -6.138 3.979 1.00 0.27 H new ATOM 747 N ALA A 48 11.708 -8.991 5.143 1.00 0.32 N ATOM 748 CA ALA A 48 12.364 -10.273 5.287 1.00 0.36 C ATOM 749 C ALA A 48 11.365 -11.433 5.260 1.00 0.39 C ATOM 750 O ALA A 48 11.741 -12.563 4.953 1.00 0.44 O ATOM 751 CB ALA A 48 13.184 -10.285 6.559 1.00 0.41 C ATOM 0 H ALA A 48 11.845 -8.358 5.931 1.00 0.32 H new ATOM 0 HA ALA A 48 13.028 -10.415 4.435 1.00 0.36 H new ATOM 0 HB1 ALA A 48 13.677 -11.251 6.665 1.00 0.41 H new ATOM 0 HB2 ALA A 48 13.936 -9.497 6.515 1.00 0.41 H new ATOM 0 HB3 ALA A 48 12.531 -10.115 7.415 1.00 0.41 H new ATOM 757 N ALA A 49 10.098 -11.149 5.558 1.00 0.38 N ATOM 758 CA ALA A 49 9.048 -12.157 5.461 1.00 0.41 C ATOM 759 C ALA A 49 8.932 -12.654 4.028 1.00 0.41 C ATOM 760 O ALA A 49 8.746 -13.846 3.777 1.00 0.47 O ATOM 761 CB ALA A 49 7.716 -11.586 5.920 1.00 0.44 C ATOM 0 H ALA A 49 9.776 -10.232 5.867 1.00 0.38 H new ATOM 0 HA ALA A 49 9.311 -12.993 6.109 1.00 0.41 H new ATOM 0 HB1 ALA A 49 6.945 -12.352 5.841 1.00 0.44 H new ATOM 0 HB2 ALA A 49 7.798 -11.260 6.957 1.00 0.44 H new ATOM 0 HB3 ALA A 49 7.449 -10.736 5.292 1.00 0.44 H new ATOM 767 N PHE A 50 9.047 -11.724 3.097 1.00 0.36 N ATOM 768 CA PHE A 50 8.980 -12.027 1.679 1.00 0.37 C ATOM 769 C PHE A 50 10.350 -12.439 1.157 1.00 0.38 C ATOM 770 O PHE A 50 10.517 -13.505 0.563 1.00 0.44 O ATOM 771 CB PHE A 50 8.500 -10.791 0.922 1.00 0.35 C ATOM 772 CG PHE A 50 8.270 -11.027 -0.546 1.00 0.70 C ATOM 773 CD1 PHE A 50 7.124 -11.669 -0.984 1.00 1.32 C ATOM 774 CD2 PHE A 50 9.196 -10.601 -1.486 1.00 1.63 C ATOM 775 CE1 PHE A 50 6.906 -11.884 -2.331 1.00 1.66 C ATOM 776 CE2 PHE A 50 8.983 -10.813 -2.834 1.00 2.09 C ATOM 777 CZ PHE A 50 7.837 -11.456 -3.257 1.00 1.80 C ATOM 0 H PHE A 50 9.190 -10.735 3.304 1.00 0.36 H new ATOM 0 HA PHE A 50 8.284 -12.852 1.526 1.00 0.37 H new ATOM 0 HB2 PHE A 50 7.573 -10.438 1.373 1.00 0.35 H new ATOM 0 HB3 PHE A 50 9.235 -9.995 1.041 1.00 0.35 H new ATOM 0 HD1 PHE A 50 6.392 -12.005 -0.264 1.00 1.32 H new ATOM 0 HD2 PHE A 50 10.094 -10.098 -1.160 1.00 1.63 H new ATOM 0 HE1 PHE A 50 6.008 -12.386 -2.660 1.00 1.66 H new ATOM 0 HE2 PHE A 50 9.712 -10.476 -3.556 1.00 2.09 H new ATOM 0 HZ PHE A 50 7.669 -11.624 -4.310 1.00 1.80 H new ATOM 787 N THR A 51 11.322 -11.577 1.407 1.00 0.36 N ATOM 788 CA THR A 51 12.662 -11.720 0.871 1.00 0.40 C ATOM 789 C THR A 51 13.321 -13.025 1.302 1.00 0.45 C ATOM 790 O THR A 51 13.692 -13.848 0.463 1.00 0.54 O ATOM 791 CB THR A 51 13.523 -10.537 1.330 1.00 0.39 C ATOM 792 OG1 THR A 51 12.936 -9.310 0.880 1.00 0.39 O ATOM 793 CG2 THR A 51 14.944 -10.655 0.809 1.00 0.49 C ATOM 0 H THR A 51 11.200 -10.751 1.993 1.00 0.36 H new ATOM 0 HA THR A 51 12.582 -11.736 -0.216 1.00 0.40 H new ATOM 0 HB THR A 51 13.563 -10.545 2.419 1.00 0.39 H new ATOM 0 HG1 THR A 51 12.955 -8.653 1.606 1.00 0.39 H new ATOM 0 HG21 THR A 51 15.529 -9.802 1.151 1.00 0.49 H new ATOM 0 HG22 THR A 51 15.393 -11.576 1.182 1.00 0.49 H new ATOM 0 HG23 THR A 51 14.932 -10.673 -0.281 1.00 0.49 H new ATOM 801 N LYS A 52 13.420 -13.236 2.611 1.00 0.48 N ATOM 802 CA LYS A 52 14.165 -14.370 3.150 1.00 0.60 C ATOM 803 C LYS A 52 13.428 -15.678 2.908 1.00 0.69 C ATOM 804 O LYS A 52 13.919 -16.756 3.249 1.00 0.84 O ATOM 805 CB LYS A 52 14.418 -14.186 4.645 1.00 0.70 C ATOM 806 CG LYS A 52 15.191 -12.918 4.983 1.00 0.78 C ATOM 807 CD LYS A 52 16.476 -12.813 4.176 1.00 1.07 C ATOM 808 CE LYS A 52 17.317 -11.621 4.604 1.00 1.24 C ATOM 809 NZ LYS A 52 17.929 -11.819 5.944 1.00 1.82 N ATOM 0 H LYS A 52 12.994 -12.637 3.318 1.00 0.48 H new ATOM 0 HA LYS A 52 15.122 -14.413 2.630 1.00 0.60 H new ATOM 0 HB2 LYS A 52 13.461 -14.168 5.167 1.00 0.70 H new ATOM 0 HB3 LYS A 52 14.969 -15.048 5.020 1.00 0.70 H new ATOM 0 HG2 LYS A 52 14.566 -12.047 4.787 1.00 0.78 H new ATOM 0 HG3 LYS A 52 15.427 -12.908 6.047 1.00 0.78 H new ATOM 0 HD2 LYS A 52 17.056 -13.728 4.295 1.00 1.07 H new ATOM 0 HD3 LYS A 52 16.234 -12.725 3.117 1.00 1.07 H new ATOM 0 HE2 LYS A 52 18.103 -11.450 3.869 1.00 1.24 H new ATOM 0 HE3 LYS A 52 16.695 -10.726 4.619 1.00 1.24 H new ATOM 0 HZ1 LYS A 52 18.611 -11.056 6.130 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 17.185 -11.804 6.671 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 18.419 -12.736 5.970 1.00 1.82 H new ATOM 823 N ASN A 53 12.250 -15.578 2.320 1.00 0.68 N ATOM 824 CA ASN A 53 11.456 -16.748 2.007 1.00 0.85 C ATOM 825 C ASN A 53 11.762 -17.220 0.585 1.00 1.00 C ATOM 826 O ASN A 53 11.233 -18.230 0.120 1.00 1.22 O ATOM 827 CB ASN A 53 9.971 -16.421 2.179 1.00 0.92 C ATOM 828 CG ASN A 53 9.071 -17.644 2.105 1.00 1.40 C ATOM 829 OD1 ASN A 53 8.877 -18.348 3.097 1.00 1.94 O ATOM 830 ND2 ASN A 53 8.487 -17.887 0.943 1.00 2.05 N ATOM 0 H ASN A 53 11.822 -14.693 2.049 1.00 0.68 H new ATOM 0 HA ASN A 53 11.708 -17.559 2.691 1.00 0.85 H new ATOM 0 HB2 ASN A 53 9.824 -15.929 3.140 1.00 0.92 H new ATOM 0 HB3 ASN A 53 9.671 -15.711 1.408 1.00 0.92 H new ATOM 0 HD21 ASN A 53 7.852 -18.679 0.847 1.00 2.05 H new ATOM 0 HD22 ASN A 53 8.672 -17.282 0.143 1.00 2.05 H new ATOM 837 N GLN A 54 12.635 -16.484 -0.095 1.00 1.02 N ATOM 838 CA GLN A 54 13.017 -16.812 -1.461 1.00 1.29 C ATOM 839 C GLN A 54 14.539 -16.801 -1.623 1.00 1.33 C ATOM 840 O GLN A 54 15.171 -17.853 -1.673 1.00 2.05 O ATOM 841 CB GLN A 54 12.360 -15.837 -2.443 1.00 1.74 C ATOM 842 CG GLN A 54 10.842 -15.945 -2.476 1.00 2.17 C ATOM 843 CD GLN A 54 10.188 -14.935 -3.401 1.00 2.40 C ATOM 844 OE1 GLN A 54 9.143 -15.205 -3.992 1.00 2.91 O ATOM 845 NE2 GLN A 54 10.783 -13.760 -3.520 1.00 2.71 N ATOM 0 H GLN A 54 13.092 -15.653 0.281 1.00 1.02 H new ATOM 0 HA GLN A 54 12.666 -17.820 -1.683 1.00 1.29 H new ATOM 0 HB2 GLN A 54 12.639 -14.818 -2.174 1.00 1.74 H new ATOM 0 HB3 GLN A 54 12.752 -16.021 -3.443 1.00 1.74 H new ATOM 0 HG2 GLN A 54 10.563 -16.950 -2.792 1.00 2.17 H new ATOM 0 HG3 GLN A 54 10.453 -15.808 -1.467 1.00 2.17 H new ATOM 0 HE21 GLN A 54 11.649 -13.573 -3.014 1.00 2.71 H new ATOM 0 HE22 GLN A 54 10.376 -13.041 -4.118 1.00 2.71 H new ATOM 854 N LYS A 55 15.122 -15.607 -1.686 1.00 1.44 N ATOM 855 CA LYS A 55 16.568 -15.456 -1.849 1.00 1.87 C ATOM 856 C LYS A 55 17.047 -14.250 -1.053 1.00 1.59 C ATOM 857 O LYS A 55 16.370 -13.821 -0.122 1.00 2.27 O ATOM 858 CB LYS A 55 16.944 -15.289 -3.328 1.00 2.84 C ATOM 859 CG LYS A 55 16.670 -16.519 -4.177 1.00 3.60 C ATOM 860 CD LYS A 55 17.191 -16.349 -5.594 1.00 4.29 C ATOM 861 CE LYS A 55 16.900 -17.574 -6.447 1.00 5.02 C ATOM 862 NZ LYS A 55 17.475 -18.816 -5.864 1.00 5.58 N ATOM 0 H LYS A 55 14.614 -14.725 -1.626 1.00 1.44 H new ATOM 0 HA LYS A 55 17.053 -16.358 -1.477 1.00 1.87 H new ATOM 0 HB2 LYS A 55 16.391 -14.445 -3.740 1.00 2.84 H new ATOM 0 HB3 LYS A 55 18.003 -15.041 -3.397 1.00 2.84 H new ATOM 0 HG2 LYS A 55 17.139 -17.390 -3.719 1.00 3.60 H new ATOM 0 HG3 LYS A 55 15.597 -16.711 -4.204 1.00 3.60 H new ATOM 0 HD2 LYS A 55 16.732 -15.471 -6.048 1.00 4.29 H new ATOM 0 HD3 LYS A 55 18.266 -16.170 -5.568 1.00 4.29 H new ATOM 0 HE2 LYS A 55 15.822 -17.691 -6.555 1.00 5.02 H new ATOM 0 HE3 LYS A 55 17.306 -17.423 -7.447 1.00 5.02 H new ATOM 0 HZ1 LYS A 55 17.448 -19.577 -6.572 1.00 5.58 H new ATOM 0 HZ2 LYS A 55 18.460 -18.642 -5.580 1.00 5.58 H new ATOM 0 HZ3 LYS A 55 16.920 -19.098 -5.031 1.00 5.58 H new ATOM 876 N ASP A 56 18.209 -13.708 -1.390 1.00 1.36 N ATOM 877 CA ASP A 56 18.672 -12.502 -0.717 1.00 1.50 C ATOM 878 C ASP A 56 18.775 -11.309 -1.686 1.00 1.27 C ATOM 879 O ASP A 56 17.869 -10.481 -1.701 1.00 1.44 O ATOM 880 CB ASP A 56 19.972 -12.748 0.065 1.00 2.13 C ATOM 881 CG ASP A 56 19.729 -13.369 1.425 1.00 2.83 C ATOM 882 OD1 ASP A 56 19.611 -14.608 1.508 1.00 3.44 O ATOM 883 OD2 ASP A 56 19.670 -12.626 2.423 1.00 3.39 O ATOM 0 H ASP A 56 18.835 -14.073 -2.107 1.00 1.36 H new ATOM 0 HA ASP A 56 17.917 -12.231 0.022 1.00 1.50 H new ATOM 0 HB2 ASP A 56 20.623 -13.401 -0.517 1.00 2.13 H new ATOM 0 HB3 ASP A 56 20.499 -11.803 0.191 1.00 2.13 H new ATOM 888 N PRO A 57 19.835 -11.169 -2.522 1.00 1.06 N ATOM 889 CA PRO A 57 19.973 -9.998 -3.368 1.00 1.02 C ATOM 890 C PRO A 57 19.340 -10.134 -4.752 1.00 0.75 C ATOM 891 O PRO A 57 18.721 -9.191 -5.244 1.00 0.70 O ATOM 892 CB PRO A 57 21.484 -9.841 -3.478 1.00 1.20 C ATOM 893 CG PRO A 57 22.005 -11.237 -3.439 1.00 1.20 C ATOM 894 CD PRO A 57 20.989 -12.063 -2.682 1.00 1.14 C ATOM 0 HA PRO A 57 19.451 -9.141 -2.941 1.00 1.02 H new ATOM 0 HB2 PRO A 57 21.765 -9.338 -4.403 1.00 1.20 H new ATOM 0 HB3 PRO A 57 21.882 -9.245 -2.657 1.00 1.20 H new ATOM 0 HG2 PRO A 57 22.144 -11.626 -4.448 1.00 1.20 H new ATOM 0 HG3 PRO A 57 22.977 -11.273 -2.946 1.00 1.20 H new ATOM 0 HD2 PRO A 57 20.720 -12.964 -3.233 1.00 1.14 H new ATOM 0 HD3 PRO A 57 21.379 -12.385 -1.716 1.00 1.14 H new ATOM 902 N GLY A 58 19.485 -11.302 -5.372 1.00 0.67 N ATOM 903 CA GLY A 58 19.011 -11.489 -6.730 1.00 0.56 C ATOM 904 C GLY A 58 17.526 -11.268 -6.863 1.00 0.49 C ATOM 905 O GLY A 58 17.049 -10.836 -7.907 1.00 0.48 O ATOM 0 H GLY A 58 19.924 -12.123 -4.956 1.00 0.67 H new ATOM 0 HA2 GLY A 58 19.537 -10.801 -7.392 1.00 0.56 H new ATOM 0 HA3 GLY A 58 19.255 -12.499 -7.060 1.00 0.56 H new ATOM 909 N VAL A 59 16.790 -11.550 -5.803 1.00 0.52 N ATOM 910 CA VAL A 59 15.355 -11.351 -5.825 1.00 0.52 C ATOM 911 C VAL A 59 15.012 -9.875 -5.781 1.00 0.49 C ATOM 912 O VAL A 59 14.144 -9.408 -6.516 1.00 0.49 O ATOM 913 CB VAL A 59 14.648 -12.090 -4.669 1.00 0.61 C ATOM 914 CG1 VAL A 59 15.285 -11.743 -3.336 1.00 0.65 C ATOM 915 CG2 VAL A 59 13.164 -11.761 -4.653 1.00 0.66 C ATOM 0 H VAL A 59 17.159 -11.914 -4.925 1.00 0.52 H new ATOM 0 HA VAL A 59 14.993 -11.774 -6.762 1.00 0.52 H new ATOM 0 HB VAL A 59 14.762 -13.162 -4.831 1.00 0.61 H new ATOM 0 HG11 VAL A 59 14.770 -12.276 -2.537 1.00 0.65 H new ATOM 0 HG12 VAL A 59 16.335 -12.034 -3.348 1.00 0.65 H new ATOM 0 HG13 VAL A 59 15.208 -10.669 -3.165 1.00 0.65 H new ATOM 0 HG21 VAL A 59 12.683 -12.291 -3.831 1.00 0.66 H new ATOM 0 HG22 VAL A 59 13.031 -10.687 -4.520 1.00 0.66 H new ATOM 0 HG23 VAL A 59 12.713 -12.068 -5.597 1.00 0.66 H new ATOM 925 N LEU A 60 15.717 -9.137 -4.945 1.00 0.48 N ATOM 926 CA LEU A 60 15.494 -7.707 -4.829 1.00 0.46 C ATOM 927 C LEU A 60 15.903 -7.034 -6.123 1.00 0.43 C ATOM 928 O LEU A 60 15.466 -5.932 -6.439 1.00 0.41 O ATOM 929 CB LEU A 60 16.284 -7.124 -3.658 1.00 0.48 C ATOM 930 CG LEU A 60 16.234 -7.954 -2.378 1.00 0.51 C ATOM 931 CD1 LEU A 60 16.900 -7.212 -1.235 1.00 0.51 C ATOM 932 CD2 LEU A 60 14.801 -8.313 -2.029 1.00 0.52 C ATOM 0 H LEU A 60 16.449 -9.503 -4.336 1.00 0.48 H new ATOM 0 HA LEU A 60 14.436 -7.528 -4.640 1.00 0.46 H new ATOM 0 HB2 LEU A 60 17.325 -7.010 -3.961 1.00 0.48 H new ATOM 0 HB3 LEU A 60 15.904 -6.125 -3.442 1.00 0.48 H new ATOM 0 HG LEU A 60 16.783 -8.880 -2.547 1.00 0.51 H new ATOM 0 HD11 LEU A 60 16.854 -7.820 -0.331 1.00 0.51 H new ATOM 0 HD12 LEU A 60 17.942 -7.015 -1.487 1.00 0.51 H new ATOM 0 HD13 LEU A 60 16.383 -6.268 -1.064 1.00 0.51 H new ATOM 0 HD21 LEU A 60 14.787 -8.905 -1.114 1.00 0.52 H new ATOM 0 HD22 LEU A 60 14.223 -7.401 -1.881 1.00 0.52 H new ATOM 0 HD23 LEU A 60 14.363 -8.892 -2.842 1.00 0.52 H new ATOM 944 N ASP A 61 16.739 -7.738 -6.871 1.00 0.46 N ATOM 945 CA ASP A 61 17.171 -7.290 -8.188 1.00 0.46 C ATOM 946 C ASP A 61 16.015 -7.386 -9.169 1.00 0.47 C ATOM 947 O ASP A 61 15.827 -6.522 -10.029 1.00 0.51 O ATOM 948 CB ASP A 61 18.342 -8.143 -8.677 1.00 0.47 C ATOM 949 CG ASP A 61 19.029 -7.563 -9.896 1.00 0.48 C ATOM 950 OD1 ASP A 61 19.870 -6.655 -9.736 1.00 1.19 O ATOM 951 OD2 ASP A 61 18.751 -8.028 -11.022 1.00 1.22 O ATOM 0 H ASP A 61 17.136 -8.633 -6.584 1.00 0.46 H new ATOM 0 HA ASP A 61 17.497 -6.252 -8.119 1.00 0.46 H new ATOM 0 HB2 ASP A 61 19.069 -8.247 -7.872 1.00 0.47 H new ATOM 0 HB3 ASP A 61 17.981 -9.144 -8.912 1.00 0.47 H new ATOM 956 N ARG A 62 15.232 -8.440 -9.013 1.00 0.47 N ATOM 957 CA ARG A 62 14.059 -8.654 -9.842 1.00 0.51 C ATOM 958 C ARG A 62 12.978 -7.653 -9.461 1.00 0.50 C ATOM 959 O ARG A 62 12.275 -7.119 -10.321 1.00 0.56 O ATOM 960 CB ARG A 62 13.546 -10.081 -9.661 1.00 0.55 C ATOM 961 CG ARG A 62 14.650 -11.121 -9.705 1.00 0.55 C ATOM 962 CD ARG A 62 14.106 -12.523 -9.541 1.00 0.62 C ATOM 963 NE ARG A 62 13.190 -12.886 -10.623 1.00 1.45 N ATOM 964 CZ ARG A 62 12.499 -14.024 -10.666 1.00 1.97 C ATOM 965 NH1 ARG A 62 12.589 -14.899 -9.675 1.00 1.66 N ATOM 966 NH2 ARG A 62 11.707 -14.278 -11.702 1.00 3.02 N ATOM 0 H ARG A 62 15.390 -9.166 -8.314 1.00 0.47 H new ATOM 0 HA ARG A 62 14.325 -8.510 -10.889 1.00 0.51 H new ATOM 0 HB2 ARG A 62 13.024 -10.155 -8.707 1.00 0.55 H new ATOM 0 HB3 ARG A 62 12.817 -10.300 -10.441 1.00 0.55 H new ATOM 0 HG2 ARG A 62 15.183 -11.046 -10.653 1.00 0.55 H new ATOM 0 HG3 ARG A 62 15.374 -10.917 -8.916 1.00 0.55 H new ATOM 0 HD2 ARG A 62 14.933 -13.232 -9.513 1.00 0.62 H new ATOM 0 HD3 ARG A 62 13.587 -12.601 -8.585 1.00 0.62 H new ATOM 0 HE ARG A 62 13.073 -12.226 -11.392 1.00 1.45 H new ATOM 0 HH11 ARG A 62 13.190 -14.703 -8.874 1.00 1.66 H new ATOM 0 HH12 ARG A 62 12.058 -15.769 -9.713 1.00 1.66 H new ATOM 0 HH21 ARG A 62 11.629 -13.602 -12.462 1.00 3.02 H new ATOM 0 HH22 ARG A 62 11.177 -15.149 -11.737 1.00 3.02 H new ATOM 980 N MET A 63 12.861 -7.401 -8.160 1.00 0.45 N ATOM 981 CA MET A 63 11.934 -6.397 -7.656 1.00 0.44 C ATOM 982 C MET A 63 12.329 -5.043 -8.204 1.00 0.41 C ATOM 983 O MET A 63 11.508 -4.336 -8.779 1.00 0.42 O ATOM 984 CB MET A 63 11.954 -6.335 -6.126 1.00 0.43 C ATOM 985 CG MET A 63 11.920 -7.696 -5.455 1.00 0.49 C ATOM 986 SD MET A 63 10.403 -8.617 -5.787 1.00 0.64 S ATOM 987 CE MET A 63 9.184 -7.583 -4.982 1.00 1.54 C ATOM 0 H MET A 63 13.398 -7.880 -7.437 1.00 0.45 H new ATOM 0 HA MET A 63 10.928 -6.669 -7.977 1.00 0.44 H new ATOM 0 HB2 MET A 63 12.851 -5.805 -5.805 1.00 0.43 H new ATOM 0 HB3 MET A 63 11.099 -5.751 -5.785 1.00 0.43 H new ATOM 0 HG2 MET A 63 12.774 -8.282 -5.794 1.00 0.49 H new ATOM 0 HG3 MET A 63 12.030 -7.566 -4.378 1.00 0.49 H new ATOM 0 HE1 MET A 63 8.265 -8.151 -4.835 1.00 1.54 H new ATOM 0 HE2 MET A 63 9.566 -7.255 -4.015 1.00 1.54 H new ATOM 0 HE3 MET A 63 8.977 -6.713 -5.605 1.00 1.54 H new ATOM 997 N MET A 64 13.609 -4.720 -8.033 1.00 0.41 N ATOM 998 CA MET A 64 14.186 -3.469 -8.508 1.00 0.42 C ATOM 999 C MET A 64 13.711 -3.132 -9.897 1.00 0.44 C ATOM 1000 O MET A 64 13.049 -2.135 -10.105 1.00 0.41 O ATOM 1001 CB MET A 64 15.711 -3.562 -8.526 1.00 0.55 C ATOM 1002 CG MET A 64 16.386 -2.317 -9.076 1.00 0.65 C ATOM 1003 SD MET A 64 18.109 -2.608 -9.510 1.00 1.87 S ATOM 1004 CE MET A 64 18.589 -0.983 -10.081 1.00 2.41 C ATOM 0 H MET A 64 14.278 -5.325 -7.557 1.00 0.41 H new ATOM 0 HA MET A 64 13.863 -2.685 -7.823 1.00 0.42 H new ATOM 0 HB2 MET A 64 16.068 -3.742 -7.512 1.00 0.55 H new ATOM 0 HB3 MET A 64 16.008 -4.422 -9.126 1.00 0.55 H new ATOM 0 HG2 MET A 64 15.845 -1.973 -9.957 1.00 0.65 H new ATOM 0 HG3 MET A 64 16.330 -1.519 -8.336 1.00 0.65 H new ATOM 0 HE1 MET A 64 19.675 -0.928 -10.150 1.00 2.41 H new ATOM 0 HE2 MET A 64 18.153 -0.799 -11.063 1.00 2.41 H new ATOM 0 HE3 MET A 64 18.232 -0.230 -9.378 1.00 2.41 H new ATOM 1014 N LYS A 65 14.015 -3.995 -10.832 1.00 0.52 N ATOM 1015 CA LYS A 65 13.817 -3.680 -12.233 1.00 0.56 C ATOM 1016 C LYS A 65 12.348 -3.736 -12.638 1.00 0.54 C ATOM 1017 O LYS A 65 11.951 -3.143 -13.641 1.00 0.60 O ATOM 1018 CB LYS A 65 14.683 -4.596 -13.081 1.00 0.66 C ATOM 1019 CG LYS A 65 16.161 -4.375 -12.815 1.00 0.79 C ATOM 1020 CD LYS A 65 16.618 -3.024 -13.352 1.00 0.86 C ATOM 1021 CE LYS A 65 18.123 -2.851 -13.251 1.00 1.57 C ATOM 1022 NZ LYS A 65 18.855 -3.796 -14.135 1.00 2.49 N ATOM 0 H LYS A 65 14.401 -4.922 -10.654 1.00 0.52 H new ATOM 0 HA LYS A 65 14.126 -2.649 -12.405 1.00 0.56 H new ATOM 0 HB2 LYS A 65 14.427 -5.635 -12.873 1.00 0.66 H new ATOM 0 HB3 LYS A 65 14.473 -4.421 -14.136 1.00 0.66 H new ATOM 0 HG2 LYS A 65 16.353 -4.428 -11.743 1.00 0.79 H new ATOM 0 HG3 LYS A 65 16.741 -5.171 -13.282 1.00 0.79 H new ATOM 0 HD2 LYS A 65 16.311 -2.925 -14.393 1.00 0.86 H new ATOM 0 HD3 LYS A 65 16.123 -2.227 -12.797 1.00 0.86 H new ATOM 0 HE2 LYS A 65 18.388 -1.828 -13.516 1.00 1.57 H new ATOM 0 HE3 LYS A 65 18.437 -3.004 -12.218 1.00 1.57 H new ATOM 0 HZ1 LYS A 65 19.847 -3.495 -14.219 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 18.817 -4.752 -13.728 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 18.414 -3.803 -15.077 1.00 2.49 H new ATOM 1036 N LYS A 66 11.542 -4.450 -11.867 1.00 0.50 N ATOM 1037 CA LYS A 66 10.101 -4.437 -12.078 1.00 0.52 C ATOM 1038 C LYS A 66 9.518 -3.103 -11.628 1.00 0.48 C ATOM 1039 O LYS A 66 8.639 -2.537 -12.280 1.00 0.55 O ATOM 1040 CB LYS A 66 9.425 -5.568 -11.298 1.00 0.55 C ATOM 1041 CG LYS A 66 7.905 -5.525 -11.379 1.00 0.91 C ATOM 1042 CD LYS A 66 7.255 -6.689 -10.645 1.00 0.96 C ATOM 1043 CE LYS A 66 7.590 -6.690 -9.160 1.00 0.73 C ATOM 1044 NZ LYS A 66 6.912 -7.802 -8.444 1.00 1.47 N ATOM 0 H LYS A 66 11.856 -5.040 -11.097 1.00 0.50 H new ATOM 0 HA LYS A 66 9.916 -4.580 -13.143 1.00 0.52 H new ATOM 0 HB2 LYS A 66 9.776 -6.526 -11.681 1.00 0.55 H new ATOM 0 HB3 LYS A 66 9.729 -5.512 -10.253 1.00 0.55 H new ATOM 0 HG2 LYS A 66 7.547 -4.586 -10.956 1.00 0.91 H new ATOM 0 HG3 LYS A 66 7.598 -5.541 -12.425 1.00 0.91 H new ATOM 0 HD2 LYS A 66 6.174 -6.638 -10.772 1.00 0.96 H new ATOM 0 HD3 LYS A 66 7.585 -7.627 -11.091 1.00 0.96 H new ATOM 0 HE2 LYS A 66 8.669 -6.778 -9.030 1.00 0.73 H new ATOM 0 HE3 LYS A 66 7.293 -5.739 -8.719 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 7.164 -7.770 -7.435 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 5.882 -7.704 -8.547 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 7.215 -8.711 -8.848 1.00 1.47 H new ATOM 1058 N LEU A 67 10.026 -2.606 -10.514 1.00 0.41 N ATOM 1059 CA LEU A 67 9.460 -1.434 -9.867 1.00 0.39 C ATOM 1060 C LEU A 67 10.106 -0.147 -10.355 1.00 0.40 C ATOM 1061 O LEU A 67 9.418 0.858 -10.488 1.00 0.46 O ATOM 1062 CB LEU A 67 9.646 -1.543 -8.371 1.00 0.34 C ATOM 1063 CG LEU A 67 9.201 -2.869 -7.752 1.00 0.33 C ATOM 1064 CD1 LEU A 67 9.678 -2.965 -6.316 1.00 0.30 C ATOM 1065 CD2 LEU A 67 7.690 -3.023 -7.832 1.00 0.37 C ATOM 0 H LEU A 67 10.836 -2.999 -10.035 1.00 0.41 H new ATOM 0 HA LEU A 67 8.400 -1.398 -10.120 1.00 0.39 H new ATOM 0 HB2 LEU A 67 10.700 -1.389 -8.140 1.00 0.34 H new ATOM 0 HB3 LEU A 67 9.093 -0.734 -7.893 1.00 0.34 H new ATOM 0 HG LEU A 67 9.651 -3.683 -8.320 1.00 0.33 H new ATOM 0 HD11 LEU A 67 9.354 -3.914 -5.888 1.00 0.30 H new ATOM 0 HD12 LEU A 67 10.766 -2.907 -6.289 1.00 0.30 H new ATOM 0 HD13 LEU A 67 9.257 -2.143 -5.737 1.00 0.30 H new ATOM 0 HD21 LEU A 67 7.397 -3.973 -7.386 1.00 0.37 H new ATOM 0 HD22 LEU A 67 7.212 -2.206 -7.292 1.00 0.37 H new ATOM 0 HD23 LEU A 67 7.377 -3.000 -8.876 1.00 0.37 H new ATOM 1077 N ASP A 68 11.427 -0.194 -10.581 1.00 0.40 N ATOM 1078 CA ASP A 68 12.212 0.947 -11.084 1.00 0.42 C ATOM 1079 C ASP A 68 11.661 1.393 -12.423 1.00 0.52 C ATOM 1080 O ASP A 68 12.182 1.071 -13.496 1.00 0.56 O ATOM 1081 CB ASP A 68 13.694 0.554 -11.210 1.00 0.43 C ATOM 1082 CG ASP A 68 14.563 1.619 -11.870 1.00 0.46 C ATOM 1083 OD1 ASP A 68 14.587 2.776 -11.403 1.00 1.23 O ATOM 1084 OD2 ASP A 68 15.251 1.287 -12.861 1.00 1.13 O ATOM 0 H ASP A 68 11.987 -1.031 -10.419 1.00 0.40 H new ATOM 0 HA ASP A 68 12.137 1.776 -10.380 1.00 0.42 H new ATOM 0 HB2 ASP A 68 14.089 0.342 -10.216 1.00 0.43 H new ATOM 0 HB3 ASP A 68 13.767 -0.368 -11.786 1.00 0.43 H new ATOM 1089 N THR A 69 10.570 2.100 -12.334 1.00 0.59 N ATOM 1090 CA THR A 69 9.830 2.532 -13.491 1.00 0.74 C ATOM 1091 C THR A 69 10.363 3.868 -13.981 1.00 0.84 C ATOM 1092 O THR A 69 10.209 4.235 -15.146 1.00 0.99 O ATOM 1093 CB THR A 69 8.331 2.605 -13.146 1.00 0.79 C ATOM 1094 OG1 THR A 69 7.535 2.471 -14.333 1.00 0.90 O ATOM 1095 CG2 THR A 69 7.987 3.912 -12.454 1.00 0.83 C ATOM 0 H THR A 69 10.163 2.397 -11.447 1.00 0.59 H new ATOM 0 HA THR A 69 9.955 1.813 -14.300 1.00 0.74 H new ATOM 0 HB THR A 69 8.111 1.782 -12.466 1.00 0.79 H new ATOM 0 HG1 THR A 69 6.585 2.518 -14.097 1.00 0.90 H new ATOM 0 HG21 THR A 69 6.922 3.932 -12.224 1.00 0.83 H new ATOM 0 HG22 THR A 69 8.560 3.996 -11.530 1.00 0.83 H new ATOM 0 HG23 THR A 69 8.232 4.747 -13.110 1.00 0.83 H new ATOM 1103 N ASN A 70 11.022 4.573 -13.081 1.00 0.80 N ATOM 1104 CA ASN A 70 11.695 5.812 -13.409 1.00 0.94 C ATOM 1105 C ASN A 70 13.009 5.506 -14.101 1.00 0.86 C ATOM 1106 O ASN A 70 13.633 6.370 -14.720 1.00 0.97 O ATOM 1107 CB ASN A 70 11.938 6.596 -12.126 1.00 1.01 C ATOM 1108 CG ASN A 70 12.459 8.000 -12.367 1.00 1.25 C ATOM 1109 OD1 ASN A 70 12.191 8.611 -13.401 1.00 1.46 O ATOM 1110 ND2 ASN A 70 13.202 8.524 -11.404 1.00 1.66 N ATOM 0 H ASN A 70 11.105 4.301 -12.101 1.00 0.80 H new ATOM 0 HA ASN A 70 11.079 6.408 -14.082 1.00 0.94 H new ATOM 0 HB2 ASN A 70 11.007 6.654 -11.563 1.00 1.01 H new ATOM 0 HB3 ASN A 70 12.652 6.053 -11.507 1.00 1.01 H new ATOM 0 HD21 ASN A 70 13.575 9.468 -11.504 1.00 1.66 H new ATOM 0 HD22 ASN A 70 13.401 7.984 -10.562 1.00 1.66 H new ATOM 1117 N SER A 71 13.399 4.238 -13.985 1.00 0.70 N ATOM 1118 CA SER A 71 14.577 3.698 -14.641 1.00 0.66 C ATOM 1119 C SER A 71 15.832 4.437 -14.201 1.00 0.61 C ATOM 1120 O SER A 71 16.746 4.680 -14.992 1.00 0.65 O ATOM 1121 CB SER A 71 14.404 3.749 -16.161 1.00 0.82 C ATOM 1122 OG SER A 71 13.196 3.106 -16.546 1.00 1.47 O ATOM 0 H SER A 71 12.895 3.551 -13.424 1.00 0.70 H new ATOM 0 HA SER A 71 14.693 2.655 -14.346 1.00 0.66 H new ATOM 0 HB2 SER A 71 14.394 4.786 -16.497 1.00 0.82 H new ATOM 0 HB3 SER A 71 15.251 3.264 -16.646 1.00 0.82 H new ATOM 0 HG SER A 71 13.099 3.148 -17.520 1.00 1.47 H new ATOM 1128 N ASP A 72 15.873 4.770 -12.922 1.00 0.58 N ATOM 1129 CA ASP A 72 16.985 5.516 -12.361 1.00 0.65 C ATOM 1130 C ASP A 72 17.868 4.583 -11.549 1.00 0.56 C ATOM 1131 O ASP A 72 19.012 4.907 -11.223 1.00 0.66 O ATOM 1132 CB ASP A 72 16.469 6.663 -11.485 1.00 0.80 C ATOM 1133 CG ASP A 72 17.573 7.607 -11.046 1.00 0.93 C ATOM 1134 OD1 ASP A 72 18.127 8.320 -11.913 1.00 1.53 O ATOM 1135 OD2 ASP A 72 17.889 7.651 -9.842 1.00 1.56 O ATOM 0 H ASP A 72 15.144 4.533 -12.249 1.00 0.58 H new ATOM 0 HA ASP A 72 17.573 5.944 -13.173 1.00 0.65 H new ATOM 0 HB2 ASP A 72 15.714 7.224 -12.036 1.00 0.80 H new ATOM 0 HB3 ASP A 72 15.978 6.249 -10.604 1.00 0.80 H new ATOM 1140 N GLY A 73 17.329 3.412 -11.234 1.00 0.45 N ATOM 1141 CA GLY A 73 18.076 2.440 -10.461 1.00 0.46 C ATOM 1142 C GLY A 73 17.711 2.515 -9.006 1.00 0.41 C ATOM 1143 O GLY A 73 18.443 2.043 -8.134 1.00 0.44 O ATOM 0 H GLY A 73 16.389 3.119 -11.500 1.00 0.45 H new ATOM 0 HA2 GLY A 73 17.875 1.438 -10.839 1.00 0.46 H new ATOM 0 HA3 GLY A 73 19.145 2.618 -10.581 1.00 0.46 H new ATOM 1147 N GLN A 74 16.566 3.119 -8.756 1.00 0.38 N ATOM 1148 CA GLN A 74 16.066 3.316 -7.420 1.00 0.37 C ATOM 1149 C GLN A 74 14.594 3.006 -7.421 1.00 0.36 C ATOM 1150 O GLN A 74 13.999 2.844 -8.479 1.00 0.39 O ATOM 1151 CB GLN A 74 16.276 4.765 -6.984 1.00 0.38 C ATOM 1152 CG GLN A 74 17.706 5.240 -7.133 1.00 0.42 C ATOM 1153 CD GLN A 74 17.989 6.541 -6.417 1.00 0.50 C ATOM 1154 OE1 GLN A 74 17.416 6.830 -5.372 1.00 1.03 O ATOM 1155 NE2 GLN A 74 18.875 7.339 -6.984 1.00 1.25 N ATOM 0 H GLN A 74 15.955 3.488 -9.485 1.00 0.38 H new ATOM 0 HA GLN A 74 16.598 2.664 -6.727 1.00 0.37 H new ATOM 0 HB2 GLN A 74 15.624 5.411 -7.572 1.00 0.38 H new ATOM 0 HB3 GLN A 74 15.973 4.870 -5.942 1.00 0.38 H new ATOM 0 HG2 GLN A 74 18.377 4.471 -6.751 1.00 0.42 H new ATOM 0 HG3 GLN A 74 17.931 5.362 -8.193 1.00 0.42 H new ATOM 0 HE21 GLN A 74 19.329 7.061 -7.854 1.00 1.25 H new ATOM 0 HE22 GLN A 74 19.105 8.234 -6.552 1.00 1.25 H new ATOM 1164 N LEU A 75 14.014 2.915 -6.250 1.00 0.33 N ATOM 1165 CA LEU A 75 12.593 2.712 -6.149 1.00 0.32 C ATOM 1166 C LEU A 75 11.928 3.907 -5.528 1.00 0.32 C ATOM 1167 O LEU A 75 12.039 4.159 -4.331 1.00 0.32 O ATOM 1168 CB LEU A 75 12.273 1.454 -5.374 1.00 0.31 C ATOM 1169 CG LEU A 75 12.799 0.184 -6.032 1.00 0.33 C ATOM 1170 CD1 LEU A 75 12.356 -1.044 -5.261 1.00 0.35 C ATOM 1171 CD2 LEU A 75 12.339 0.128 -7.485 1.00 0.35 C ATOM 0 H LEU A 75 14.503 2.978 -5.357 1.00 0.33 H new ATOM 0 HA LEU A 75 12.200 2.589 -7.158 1.00 0.32 H new ATOM 0 HB2 LEU A 75 12.695 1.536 -4.373 1.00 0.31 H new ATOM 0 HB3 LEU A 75 11.192 1.373 -5.259 1.00 0.31 H new ATOM 0 HG LEU A 75 13.889 0.199 -6.018 1.00 0.33 H new ATOM 0 HD11 LEU A 75 12.743 -1.939 -5.749 1.00 0.35 H new ATOM 0 HD12 LEU A 75 12.739 -0.992 -4.242 1.00 0.35 H new ATOM 0 HD13 LEU A 75 11.267 -1.086 -5.237 1.00 0.35 H new ATOM 0 HD21 LEU A 75 12.717 -0.782 -7.952 1.00 0.35 H new ATOM 0 HD22 LEU A 75 11.250 0.129 -7.522 1.00 0.35 H new ATOM 0 HD23 LEU A 75 12.721 0.997 -8.021 1.00 0.35 H new ATOM 1183 N ASP A 76 11.252 4.637 -6.372 1.00 0.35 N ATOM 1184 CA ASP A 76 10.543 5.834 -5.986 1.00 0.36 C ATOM 1185 C ASP A 76 9.292 5.464 -5.210 1.00 0.33 C ATOM 1186 O ASP A 76 8.900 4.304 -5.197 1.00 0.32 O ATOM 1187 CB ASP A 76 10.231 6.614 -7.265 1.00 0.44 C ATOM 1188 CG ASP A 76 9.075 7.596 -7.150 1.00 0.91 C ATOM 1189 OD1 ASP A 76 7.902 7.170 -7.271 1.00 1.68 O ATOM 1190 OD2 ASP A 76 9.329 8.797 -6.962 1.00 1.45 O ATOM 0 H ASP A 76 11.175 4.416 -7.365 1.00 0.35 H new ATOM 0 HA ASP A 76 11.142 6.462 -5.326 1.00 0.36 H new ATOM 0 HB2 ASP A 76 11.124 7.161 -7.567 1.00 0.44 H new ATOM 0 HB3 ASP A 76 10.008 5.904 -8.061 1.00 0.44 H new ATOM 1195 N PHE A 77 8.694 6.437 -4.543 1.00 0.41 N ATOM 1196 CA PHE A 77 7.504 6.216 -3.730 1.00 0.49 C ATOM 1197 C PHE A 77 6.471 5.336 -4.431 1.00 0.39 C ATOM 1198 O PHE A 77 6.059 4.311 -3.896 1.00 0.39 O ATOM 1199 CB PHE A 77 6.879 7.553 -3.379 1.00 0.72 C ATOM 1200 CG PHE A 77 7.171 8.008 -1.979 1.00 1.76 C ATOM 1201 CD1 PHE A 77 6.665 7.309 -0.896 1.00 2.56 C ATOM 1202 CD2 PHE A 77 7.941 9.134 -1.745 1.00 2.66 C ATOM 1203 CE1 PHE A 77 6.923 7.722 0.394 1.00 3.67 C ATOM 1204 CE2 PHE A 77 8.202 9.555 -0.455 1.00 3.77 C ATOM 1205 CZ PHE A 77 7.693 8.849 0.617 1.00 4.15 C ATOM 0 H PHE A 77 9.018 7.404 -4.548 1.00 0.41 H new ATOM 0 HA PHE A 77 7.817 5.691 -2.827 1.00 0.49 H new ATOM 0 HB2 PHE A 77 7.239 8.307 -4.079 1.00 0.72 H new ATOM 0 HB3 PHE A 77 5.799 7.485 -3.511 1.00 0.72 H new ATOM 0 HD1 PHE A 77 6.061 6.430 -1.064 1.00 2.56 H new ATOM 0 HD2 PHE A 77 8.342 9.690 -2.580 1.00 2.66 H new ATOM 0 HE1 PHE A 77 6.524 7.166 1.230 1.00 3.67 H new ATOM 0 HE2 PHE A 77 8.804 10.436 -0.285 1.00 3.77 H new ATOM 0 HZ PHE A 77 7.896 9.176 1.626 1.00 4.15 H new ATOM 1215 N SER A 78 6.064 5.736 -5.627 1.00 0.39 N ATOM 1216 CA SER A 78 5.070 4.994 -6.392 1.00 0.38 C ATOM 1217 C SER A 78 5.565 3.587 -6.724 1.00 0.38 C ATOM 1218 O SER A 78 4.788 2.639 -6.766 1.00 0.44 O ATOM 1219 CB SER A 78 4.727 5.748 -7.678 1.00 0.45 C ATOM 1220 OG SER A 78 5.889 6.012 -8.447 1.00 1.31 O ATOM 0 H SER A 78 6.409 6.576 -6.092 1.00 0.39 H new ATOM 0 HA SER A 78 4.173 4.901 -5.780 1.00 0.38 H new ATOM 0 HB2 SER A 78 4.023 5.162 -8.269 1.00 0.45 H new ATOM 0 HB3 SER A 78 4.231 6.687 -7.430 1.00 0.45 H new ATOM 0 HG SER A 78 6.413 6.719 -8.016 1.00 1.31 H new ATOM 1226 N GLU A 79 6.866 3.461 -6.932 1.00 0.36 N ATOM 1227 CA GLU A 79 7.479 2.186 -7.271 1.00 0.42 C ATOM 1228 C GLU A 79 7.554 1.300 -6.036 1.00 0.33 C ATOM 1229 O GLU A 79 7.376 0.085 -6.106 1.00 0.33 O ATOM 1230 CB GLU A 79 8.865 2.441 -7.845 1.00 0.51 C ATOM 1231 CG GLU A 79 8.846 3.482 -8.949 1.00 0.64 C ATOM 1232 CD GLU A 79 10.224 3.837 -9.451 1.00 1.81 C ATOM 1233 OE1 GLU A 79 11.203 3.526 -8.765 1.00 2.54 O ATOM 1234 OE2 GLU A 79 10.320 4.445 -10.534 1.00 2.57 O ATOM 0 H GLU A 79 7.525 4.237 -6.871 1.00 0.36 H new ATOM 0 HA GLU A 79 6.876 1.669 -8.018 1.00 0.42 H new ATOM 0 HB2 GLU A 79 9.531 2.771 -7.048 1.00 0.51 H new ATOM 0 HB3 GLU A 79 9.272 1.508 -8.235 1.00 0.51 H new ATOM 0 HG2 GLU A 79 8.247 3.110 -9.781 1.00 0.64 H new ATOM 0 HG3 GLU A 79 8.356 4.384 -8.582 1.00 0.64 H new ATOM 1241 N PHE A 80 7.804 1.935 -4.905 1.00 0.28 N ATOM 1242 CA PHE A 80 7.778 1.273 -3.614 1.00 0.25 C ATOM 1243 C PHE A 80 6.361 0.822 -3.290 1.00 0.23 C ATOM 1244 O PHE A 80 6.145 -0.189 -2.628 1.00 0.26 O ATOM 1245 CB PHE A 80 8.275 2.232 -2.533 1.00 0.31 C ATOM 1246 CG PHE A 80 8.145 1.695 -1.140 1.00 0.71 C ATOM 1247 CD1 PHE A 80 9.055 0.779 -0.652 1.00 1.26 C ATOM 1248 CD2 PHE A 80 7.107 2.110 -0.321 1.00 1.60 C ATOM 1249 CE1 PHE A 80 8.933 0.282 0.626 1.00 1.56 C ATOM 1250 CE2 PHE A 80 6.981 1.617 0.960 1.00 1.98 C ATOM 1251 CZ PHE A 80 7.895 0.700 1.433 1.00 1.64 C ATOM 0 H PHE A 80 8.032 2.928 -4.856 1.00 0.28 H new ATOM 0 HA PHE A 80 8.430 0.400 -3.648 1.00 0.25 H new ATOM 0 HB2 PHE A 80 9.322 2.469 -2.724 1.00 0.31 H new ATOM 0 HB3 PHE A 80 7.718 3.166 -2.605 1.00 0.31 H new ATOM 0 HD1 PHE A 80 9.870 0.449 -1.279 1.00 1.26 H new ATOM 0 HD2 PHE A 80 6.389 2.827 -0.690 1.00 1.60 H new ATOM 0 HE1 PHE A 80 9.650 -0.435 0.997 1.00 1.56 H new ATOM 0 HE2 PHE A 80 6.169 1.948 1.591 1.00 1.98 H new ATOM 0 HZ PHE A 80 7.799 0.309 2.435 1.00 1.64 H new ATOM 1261 N LEU A 81 5.396 1.588 -3.756 1.00 0.25 N ATOM 1262 CA LEU A 81 4.003 1.252 -3.550 1.00 0.26 C ATOM 1263 C LEU A 81 3.556 0.202 -4.540 1.00 0.26 C ATOM 1264 O LEU A 81 2.670 -0.595 -4.251 1.00 0.27 O ATOM 1265 CB LEU A 81 3.142 2.490 -3.666 1.00 0.29 C ATOM 1266 CG LEU A 81 3.459 3.574 -2.636 1.00 0.28 C ATOM 1267 CD1 LEU A 81 2.525 4.747 -2.810 1.00 0.34 C ATOM 1268 CD2 LEU A 81 3.393 3.013 -1.210 1.00 0.29 C ATOM 0 H LEU A 81 5.552 2.449 -4.281 1.00 0.25 H new ATOM 0 HA LEU A 81 3.891 0.843 -2.546 1.00 0.26 H new ATOM 0 HB2 LEU A 81 3.261 2.909 -4.665 1.00 0.29 H new ATOM 0 HB3 LEU A 81 2.096 2.202 -3.563 1.00 0.29 H new ATOM 0 HG LEU A 81 4.478 3.923 -2.801 1.00 0.28 H new ATOM 0 HD11 LEU A 81 2.761 5.513 -2.071 1.00 0.34 H new ATOM 0 HD12 LEU A 81 2.643 5.161 -3.811 1.00 0.34 H new ATOM 0 HD13 LEU A 81 1.496 4.416 -2.674 1.00 0.34 H new ATOM 0 HD21 LEU A 81 3.623 3.805 -0.497 1.00 0.29 H new ATOM 0 HD22 LEU A 81 2.391 2.629 -1.016 1.00 0.29 H new ATOM 0 HD23 LEU A 81 4.118 2.206 -1.102 1.00 0.29 H new ATOM 1280 N ASN A 82 4.164 0.213 -5.713 1.00 0.26 N ATOM 1281 CA ASN A 82 3.989 -0.867 -6.660 1.00 0.26 C ATOM 1282 C ASN A 82 4.477 -2.152 -6.021 1.00 0.23 C ATOM 1283 O ASN A 82 3.865 -3.215 -6.142 1.00 0.25 O ATOM 1284 CB ASN A 82 4.786 -0.597 -7.937 1.00 0.30 C ATOM 1285 CG ASN A 82 4.093 0.361 -8.887 1.00 0.79 C ATOM 1286 OD1 ASN A 82 2.868 0.460 -8.910 1.00 1.51 O ATOM 1287 ND2 ASN A 82 4.878 1.063 -9.692 1.00 1.42 N ATOM 0 H ASN A 82 4.783 0.959 -6.030 1.00 0.26 H new ATOM 0 HA ASN A 82 2.935 -0.949 -6.924 1.00 0.26 H new ATOM 0 HB2 ASN A 82 5.761 -0.190 -7.669 1.00 0.30 H new ATOM 0 HB3 ASN A 82 4.965 -1.541 -8.451 1.00 0.30 H new ATOM 0 HD21 ASN A 82 4.469 1.715 -10.362 1.00 1.42 H new ATOM 0 HD22 ASN A 82 5.891 0.952 -9.641 1.00 1.42 H new ATOM 1294 N LEU A 83 5.602 -2.021 -5.336 1.00 0.23 N ATOM 1295 CA LEU A 83 6.151 -3.076 -4.514 1.00 0.24 C ATOM 1296 C LEU A 83 5.130 -3.549 -3.496 1.00 0.23 C ATOM 1297 O LEU A 83 4.772 -4.726 -3.465 1.00 0.25 O ATOM 1298 CB LEU A 83 7.373 -2.552 -3.782 1.00 0.27 C ATOM 1299 CG LEU A 83 7.779 -3.371 -2.569 1.00 0.31 C ATOM 1300 CD1 LEU A 83 8.400 -4.687 -3.001 1.00 0.35 C ATOM 1301 CD2 LEU A 83 8.715 -2.577 -1.679 1.00 0.36 C ATOM 0 H LEU A 83 6.162 -1.168 -5.338 1.00 0.23 H new ATOM 0 HA LEU A 83 6.423 -3.914 -5.156 1.00 0.24 H new ATOM 0 HB2 LEU A 83 8.211 -2.517 -4.478 1.00 0.27 H new ATOM 0 HB3 LEU A 83 7.179 -1.527 -3.465 1.00 0.27 H new ATOM 0 HG LEU A 83 6.887 -3.601 -1.986 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.685 -5.261 -2.120 1.00 0.35 H new ATOM 0 HD12 LEU A 83 7.677 -5.255 -3.586 1.00 0.35 H new ATOM 0 HD13 LEU A 83 9.284 -4.490 -3.608 1.00 0.35 H new ATOM 0 HD21 LEU A 83 8.995 -3.180 -0.815 1.00 0.36 H new ATOM 0 HD22 LEU A 83 9.610 -2.309 -2.240 1.00 0.36 H new ATOM 0 HD23 LEU A 83 8.214 -1.670 -1.341 1.00 0.36 H new ATOM 1313 N ILE A 84 4.686 -2.613 -2.662 1.00 0.24 N ATOM 1314 CA ILE A 84 3.672 -2.873 -1.651 1.00 0.26 C ATOM 1315 C ILE A 84 2.464 -3.571 -2.270 1.00 0.27 C ATOM 1316 O ILE A 84 1.876 -4.469 -1.668 1.00 0.29 O ATOM 1317 CB ILE A 84 3.245 -1.549 -0.973 1.00 0.29 C ATOM 1318 CG1 ILE A 84 4.378 -1.002 -0.100 1.00 0.55 C ATOM 1319 CG2 ILE A 84 1.970 -1.728 -0.153 1.00 0.47 C ATOM 1320 CD1 ILE A 84 4.786 -1.923 1.027 1.00 0.62 C ATOM 0 H ILE A 84 5.022 -1.650 -2.670 1.00 0.24 H new ATOM 0 HA ILE A 84 4.096 -3.533 -0.894 1.00 0.26 H new ATOM 0 HB ILE A 84 3.033 -0.825 -1.760 1.00 0.29 H new ATOM 0 HG12 ILE A 84 5.247 -0.808 -0.729 1.00 0.55 H new ATOM 0 HG13 ILE A 84 4.069 -0.045 0.320 1.00 0.55 H new ATOM 0 HG21 ILE A 84 1.699 -0.779 0.309 1.00 0.47 H new ATOM 0 HG22 ILE A 84 1.161 -2.058 -0.805 1.00 0.47 H new ATOM 0 HG23 ILE A 84 2.138 -2.475 0.623 1.00 0.47 H new ATOM 0 HD11 ILE A 84 5.593 -1.464 1.598 1.00 0.62 H new ATOM 0 HD12 ILE A 84 3.932 -2.098 1.681 1.00 0.62 H new ATOM 0 HD13 ILE A 84 5.128 -2.873 0.615 1.00 0.62 H new ATOM 1332 N GLY A 85 2.128 -3.173 -3.491 1.00 0.26 N ATOM 1333 CA GLY A 85 1.063 -3.811 -4.227 1.00 0.29 C ATOM 1334 C GLY A 85 1.343 -5.277 -4.482 1.00 0.29 C ATOM 1335 O GLY A 85 0.526 -6.128 -4.150 1.00 0.33 O ATOM 0 H GLY A 85 2.585 -2.408 -3.987 1.00 0.26 H new ATOM 0 HA2 GLY A 85 0.130 -3.712 -3.672 1.00 0.29 H new ATOM 0 HA3 GLY A 85 0.924 -3.298 -5.179 1.00 0.29 H new ATOM 1339 N GLY A 86 2.523 -5.576 -5.018 1.00 0.28 N ATOM 1340 CA GLY A 86 2.849 -6.947 -5.375 1.00 0.31 C ATOM 1341 C GLY A 86 3.020 -7.802 -4.144 1.00 0.29 C ATOM 1342 O GLY A 86 2.720 -8.997 -4.143 1.00 0.35 O ATOM 0 H GLY A 86 3.258 -4.896 -5.211 1.00 0.28 H new ATOM 0 HA2 GLY A 86 2.059 -7.361 -6.002 1.00 0.31 H new ATOM 0 HA3 GLY A 86 3.766 -6.965 -5.964 1.00 0.31 H new ATOM 1346 N LEU A 87 3.490 -7.162 -3.092 1.00 0.25 N ATOM 1347 CA LEU A 87 3.644 -7.789 -1.796 1.00 0.25 C ATOM 1348 C LEU A 87 2.284 -8.171 -1.241 1.00 0.26 C ATOM 1349 O LEU A 87 2.013 -9.339 -0.965 1.00 0.29 O ATOM 1350 CB LEU A 87 4.311 -6.810 -0.839 1.00 0.25 C ATOM 1351 CG LEU A 87 5.801 -6.564 -1.046 1.00 0.26 C ATOM 1352 CD1 LEU A 87 6.239 -5.368 -0.224 1.00 0.26 C ATOM 1353 CD2 LEU A 87 6.607 -7.788 -0.652 1.00 0.35 C ATOM 0 H LEU A 87 3.778 -6.184 -3.114 1.00 0.25 H new ATOM 0 HA LEU A 87 4.257 -8.684 -1.904 1.00 0.25 H new ATOM 0 HB2 LEU A 87 3.794 -5.854 -0.914 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.163 -7.173 0.178 1.00 0.25 H new ATOM 0 HG LEU A 87 5.978 -6.362 -2.102 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.305 -5.194 -0.374 1.00 0.26 H new ATOM 0 HD12 LEU A 87 5.680 -4.486 -0.538 1.00 0.26 H new ATOM 0 HD13 LEU A 87 6.048 -5.562 0.831 1.00 0.26 H new ATOM 0 HD21 LEU A 87 7.668 -7.591 -0.808 1.00 0.35 H new ATOM 0 HD22 LEU A 87 6.431 -8.017 0.399 1.00 0.35 H new ATOM 0 HD23 LEU A 87 6.302 -8.637 -1.264 1.00 0.35 H new ATOM 1365 N ALA A 88 1.423 -7.168 -1.107 1.00 0.25 N ATOM 1366 CA ALA A 88 0.087 -7.362 -0.571 1.00 0.27 C ATOM 1367 C ALA A 88 -0.690 -8.347 -1.400 1.00 0.30 C ATOM 1368 O ALA A 88 -1.528 -9.085 -0.892 1.00 0.35 O ATOM 1369 CB ALA A 88 -0.672 -6.058 -0.543 1.00 0.27 C ATOM 0 H ALA A 88 1.633 -6.204 -1.366 1.00 0.25 H new ATOM 0 HA ALA A 88 0.199 -7.747 0.443 1.00 0.27 H new ATOM 0 HB1 ALA A 88 -1.670 -6.226 -0.138 1.00 0.27 H new ATOM 0 HB2 ALA A 88 -0.142 -5.342 0.085 1.00 0.27 H new ATOM 0 HB3 ALA A 88 -0.753 -5.663 -1.555 1.00 0.27 H new ATOM 1375 N MET A 89 -0.425 -8.336 -2.687 1.00 0.29 N ATOM 1376 CA MET A 89 -1.118 -9.209 -3.594 1.00 0.33 C ATOM 1377 C MET A 89 -0.728 -10.654 -3.361 1.00 0.34 C ATOM 1378 O MET A 89 -1.566 -11.546 -3.444 1.00 0.39 O ATOM 1379 CB MET A 89 -0.882 -8.785 -5.033 1.00 0.35 C ATOM 1380 CG MET A 89 -1.700 -7.562 -5.398 1.00 0.42 C ATOM 1381 SD MET A 89 -1.795 -7.287 -7.179 1.00 1.03 S ATOM 1382 CE MET A 89 -0.079 -6.960 -7.573 1.00 1.89 C ATOM 0 H MET A 89 0.268 -7.729 -3.125 1.00 0.29 H new ATOM 0 HA MET A 89 -2.188 -9.129 -3.400 1.00 0.33 H new ATOM 0 HB2 MET A 89 0.177 -8.572 -5.181 1.00 0.35 H new ATOM 0 HB3 MET A 89 -1.138 -9.607 -5.701 1.00 0.35 H new ATOM 0 HG2 MET A 89 -2.708 -7.673 -4.998 1.00 0.42 H new ATOM 0 HG3 MET A 89 -1.263 -6.684 -4.923 1.00 0.42 H new ATOM 0 HE1 MET A 89 -0.005 -6.582 -8.593 1.00 1.89 H new ATOM 0 HE2 MET A 89 0.318 -6.217 -6.881 1.00 1.89 H new ATOM 0 HE3 MET A 89 0.496 -7.882 -7.485 1.00 1.89 H new ATOM 1392 N ALA A 90 0.528 -10.870 -3.016 1.00 0.34 N ATOM 1393 CA ALA A 90 0.992 -12.195 -2.657 1.00 0.40 C ATOM 1394 C ALA A 90 0.493 -12.562 -1.264 1.00 0.42 C ATOM 1395 O ALA A 90 0.200 -13.719 -0.974 1.00 0.49 O ATOM 1396 CB ALA A 90 2.508 -12.245 -2.726 1.00 0.46 C ATOM 0 H ALA A 90 1.244 -10.145 -2.977 1.00 0.34 H new ATOM 0 HA ALA A 90 0.593 -12.924 -3.363 1.00 0.40 H new ATOM 0 HB1 ALA A 90 2.852 -13.243 -2.455 1.00 0.46 H new ATOM 0 HB2 ALA A 90 2.834 -12.011 -3.740 1.00 0.46 H new ATOM 0 HB3 ALA A 90 2.928 -11.516 -2.033 1.00 0.46 H new ATOM 1402 N CYS A 91 0.377 -11.552 -0.411 1.00 0.41 N ATOM 1403 CA CYS A 91 -0.079 -11.742 0.959 1.00 0.47 C ATOM 1404 C CYS A 91 -1.559 -12.113 1.010 1.00 0.45 C ATOM 1405 O CYS A 91 -1.940 -13.053 1.704 1.00 0.51 O ATOM 1406 CB CYS A 91 0.178 -10.479 1.776 1.00 0.55 C ATOM 1407 SG CYS A 91 -0.303 -10.602 3.513 1.00 1.76 S ATOM 0 H CYS A 91 0.595 -10.584 -0.648 1.00 0.41 H new ATOM 0 HA CYS A 91 0.485 -12.569 1.389 1.00 0.47 H new ATOM 0 HB2 CYS A 91 1.239 -10.236 1.722 1.00 0.55 H new ATOM 0 HB3 CYS A 91 -0.363 -9.650 1.320 1.00 0.55 H new ATOM 0 HG CYS A 91 -1.419 -11.262 3.609 1.00 1.76 H new ATOM 1413 N HIS A 92 -2.403 -11.388 0.277 1.00 0.41 N ATOM 1414 CA HIS A 92 -3.824 -11.713 0.256 1.00 0.46 C ATOM 1415 C HIS A 92 -4.026 -13.035 -0.454 1.00 0.45 C ATOM 1416 O HIS A 92 -4.907 -13.806 -0.107 1.00 0.49 O ATOM 1417 CB HIS A 92 -4.685 -10.607 -0.389 1.00 0.54 C ATOM 1418 CG HIS A 92 -4.606 -10.483 -1.889 1.00 1.21 C ATOM 1419 ND1 HIS A 92 -5.111 -11.426 -2.763 1.00 2.13 N ATOM 1420 CD2 HIS A 92 -4.117 -9.489 -2.664 1.00 1.96 C ATOM 1421 CE1 HIS A 92 -4.930 -11.017 -4.004 1.00 2.74 C ATOM 1422 NE2 HIS A 92 -4.332 -9.843 -3.975 1.00 2.62 N ATOM 0 H HIS A 92 -2.134 -10.589 -0.298 1.00 0.41 H new ATOM 0 HA HIS A 92 -4.160 -11.792 1.290 1.00 0.46 H new ATOM 0 HB2 HIS A 92 -5.726 -10.781 -0.115 1.00 0.54 H new ATOM 0 HB3 HIS A 92 -4.396 -9.651 0.048 1.00 0.54 H new ATOM 0 HD1 HIS A 92 -5.555 -12.303 -2.491 1.00 2.13 H new ATOM 0 HD2 HIS A 92 -3.644 -8.582 -2.317 1.00 1.96 H new ATOM 0 HE1 HIS A 92 -5.223 -11.554 -4.894 1.00 2.74 H new ATOM 1431 N ASP A 93 -3.181 -13.296 -1.438 1.00 0.45 N ATOM 1432 CA ASP A 93 -3.207 -14.559 -2.151 1.00 0.52 C ATOM 1433 C ASP A 93 -2.894 -15.692 -1.182 1.00 0.56 C ATOM 1434 O ASP A 93 -3.424 -16.792 -1.292 1.00 0.65 O ATOM 1435 CB ASP A 93 -2.190 -14.523 -3.291 1.00 0.54 C ATOM 1436 CG ASP A 93 -2.196 -15.786 -4.133 1.00 0.93 C ATOM 1437 OD1 ASP A 93 -3.023 -15.883 -5.065 1.00 1.48 O ATOM 1438 OD2 ASP A 93 -1.369 -16.688 -3.873 1.00 1.75 O ATOM 0 H ASP A 93 -2.465 -12.645 -1.761 1.00 0.45 H new ATOM 0 HA ASP A 93 -4.197 -14.727 -2.576 1.00 0.52 H new ATOM 0 HB2 ASP A 93 -2.400 -13.666 -3.931 1.00 0.54 H new ATOM 0 HB3 ASP A 93 -1.193 -14.374 -2.876 1.00 0.54 H new ATOM 1443 N SER A 94 -2.052 -15.379 -0.209 1.00 0.54 N ATOM 1444 CA SER A 94 -1.722 -16.296 0.865 1.00 0.60 C ATOM 1445 C SER A 94 -2.924 -16.487 1.781 1.00 0.63 C ATOM 1446 O SER A 94 -3.290 -17.609 2.109 1.00 0.70 O ATOM 1447 CB SER A 94 -0.539 -15.746 1.662 1.00 0.65 C ATOM 1448 OG SER A 94 0.620 -15.643 0.848 1.00 1.27 O ATOM 0 H SER A 94 -1.578 -14.478 -0.144 1.00 0.54 H new ATOM 0 HA SER A 94 -1.451 -17.262 0.439 1.00 0.60 H new ATOM 0 HB2 SER A 94 -0.792 -14.766 2.066 1.00 0.65 H new ATOM 0 HB3 SER A 94 -0.334 -16.397 2.512 1.00 0.65 H new ATOM 0 HG SER A 94 0.621 -14.777 0.389 1.00 1.27 H new ATOM 1454 N PHE A 95 -3.548 -15.375 2.160 1.00 0.60 N ATOM 1455 CA PHE A 95 -4.695 -15.393 3.059 1.00 0.66 C ATOM 1456 C PHE A 95 -5.851 -16.177 2.461 1.00 0.72 C ATOM 1457 O PHE A 95 -6.509 -16.950 3.150 1.00 0.84 O ATOM 1458 CB PHE A 95 -5.151 -13.968 3.357 1.00 0.64 C ATOM 1459 CG PHE A 95 -4.491 -13.353 4.560 1.00 0.78 C ATOM 1460 CD1 PHE A 95 -4.935 -13.657 5.837 1.00 1.30 C ATOM 1461 CD2 PHE A 95 -3.437 -12.469 4.415 1.00 1.80 C ATOM 1462 CE1 PHE A 95 -4.339 -13.091 6.946 1.00 1.76 C ATOM 1463 CE2 PHE A 95 -2.836 -11.898 5.521 1.00 2.35 C ATOM 1464 CZ PHE A 95 -3.288 -12.210 6.789 1.00 2.08 C ATOM 0 H PHE A 95 -3.274 -14.442 1.854 1.00 0.60 H new ATOM 0 HA PHE A 95 -4.386 -15.881 3.983 1.00 0.66 H new ATOM 0 HB2 PHE A 95 -4.950 -13.344 2.486 1.00 0.64 H new ATOM 0 HB3 PHE A 95 -6.231 -13.967 3.508 1.00 0.64 H new ATOM 0 HD1 PHE A 95 -5.757 -14.345 5.966 1.00 1.30 H new ATOM 0 HD2 PHE A 95 -3.080 -12.222 3.426 1.00 1.80 H new ATOM 0 HE1 PHE A 95 -4.695 -13.337 7.936 1.00 1.76 H new ATOM 0 HE2 PHE A 95 -2.014 -11.209 5.394 1.00 2.35 H new ATOM 0 HZ PHE A 95 -2.820 -11.766 7.655 1.00 2.08 H new ATOM 1474 N LEU A 96 -6.077 -15.985 1.175 1.00 0.69 N ATOM 1475 CA LEU A 96 -7.176 -16.639 0.478 1.00 0.81 C ATOM 1476 C LEU A 96 -6.923 -18.134 0.348 1.00 0.90 C ATOM 1477 O LEU A 96 -7.846 -18.918 0.129 1.00 1.09 O ATOM 1478 CB LEU A 96 -7.373 -16.007 -0.902 1.00 0.83 C ATOM 1479 CG LEU A 96 -8.322 -14.800 -0.953 1.00 0.87 C ATOM 1480 CD1 LEU A 96 -9.731 -15.208 -0.566 1.00 1.21 C ATOM 1481 CD2 LEU A 96 -7.831 -13.677 -0.056 1.00 1.08 C ATOM 0 H LEU A 96 -5.510 -15.376 0.585 1.00 0.69 H new ATOM 0 HA LEU A 96 -8.086 -16.501 1.062 1.00 0.81 H new ATOM 0 HB2 LEU A 96 -6.399 -15.697 -1.281 1.00 0.83 H new ATOM 0 HB3 LEU A 96 -7.751 -16.772 -1.581 1.00 0.83 H new ATOM 0 HG LEU A 96 -8.336 -14.432 -1.979 1.00 0.87 H new ATOM 0 HD11 LEU A 96 -10.386 -14.338 -0.609 1.00 1.21 H new ATOM 0 HD12 LEU A 96 -10.092 -15.969 -1.258 1.00 1.21 H new ATOM 0 HD13 LEU A 96 -9.728 -15.610 0.447 1.00 1.21 H new ATOM 0 HD21 LEU A 96 -8.523 -12.837 -0.113 1.00 1.08 H new ATOM 0 HD22 LEU A 96 -7.775 -14.032 0.973 1.00 1.08 H new ATOM 0 HD23 LEU A 96 -6.842 -13.356 -0.383 1.00 1.08 H new ATOM 1493 N LYS A 97 -5.669 -18.520 0.503 1.00 0.83 N ATOM 1494 CA LYS A 97 -5.282 -19.917 0.442 1.00 0.93 C ATOM 1495 C LYS A 97 -4.915 -20.426 1.830 1.00 0.97 C ATOM 1496 O LYS A 97 -4.342 -21.505 1.983 1.00 1.12 O ATOM 1497 CB LYS A 97 -4.110 -20.078 -0.514 1.00 0.93 C ATOM 1498 CG LYS A 97 -4.485 -19.703 -1.927 1.00 0.99 C ATOM 1499 CD LYS A 97 -3.282 -19.600 -2.830 1.00 1.25 C ATOM 1500 CE LYS A 97 -3.717 -19.148 -4.201 1.00 2.06 C ATOM 1501 NZ LYS A 97 -2.565 -18.849 -5.087 1.00 2.65 N ATOM 0 H LYS A 97 -4.895 -17.878 0.674 1.00 0.83 H new ATOM 0 HA LYS A 97 -6.122 -20.507 0.076 1.00 0.93 H new ATOM 0 HB2 LYS A 97 -3.280 -19.455 -0.180 1.00 0.93 H new ATOM 0 HB3 LYS A 97 -3.762 -21.111 -0.492 1.00 0.93 H new ATOM 0 HG2 LYS A 97 -5.174 -20.447 -2.327 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -5.014 -18.750 -1.919 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -2.562 -18.895 -2.415 1.00 1.25 H new ATOM 0 HD3 LYS A 97 -2.780 -20.565 -2.896 1.00 1.25 H new ATOM 0 HE2 LYS A 97 -4.333 -19.923 -4.658 1.00 2.06 H new ATOM 0 HE3 LYS A 97 -4.341 -18.259 -4.107 1.00 2.06 H new ATOM 0 HZ1 LYS A 97 -2.901 -18.354 -5.938 1.00 2.65 H new ATOM 0 HZ2 LYS A 97 -1.885 -18.246 -4.581 1.00 2.65 H new ATOM 0 HZ3 LYS A 97 -2.100 -19.737 -5.364 1.00 2.65 H new ATOM 1515 N ALA A 98 -5.243 -19.630 2.840 1.00 0.99 N ATOM 1516 CA ALA A 98 -4.922 -19.969 4.214 1.00 1.06 C ATOM 1517 C ALA A 98 -6.155 -19.859 5.100 1.00 1.09 C ATOM 1518 O ALA A 98 -6.653 -20.862 5.612 1.00 1.23 O ATOM 1519 CB ALA A 98 -3.807 -19.075 4.739 1.00 1.00 C ATOM 0 H ALA A 98 -5.733 -18.742 2.729 1.00 0.99 H new ATOM 0 HA ALA A 98 -4.576 -21.002 4.237 1.00 1.06 H new ATOM 0 HB1 ALA A 98 -3.580 -19.344 5.771 1.00 1.00 H new ATOM 0 HB2 ALA A 98 -2.916 -19.206 4.125 1.00 1.00 H new ATOM 0 HB3 ALA A 98 -4.126 -18.033 4.697 1.00 1.00 H new ATOM 1525 N VAL A 99 -6.645 -18.637 5.259 1.00 1.00 N ATOM 1526 CA VAL A 99 -7.814 -18.360 6.083 1.00 1.06 C ATOM 1527 C VAL A 99 -8.162 -16.870 6.024 1.00 1.00 C ATOM 1528 O VAL A 99 -7.656 -16.055 6.794 1.00 1.01 O ATOM 1529 CB VAL A 99 -7.621 -18.825 7.555 1.00 1.16 C ATOM 1530 CG1 VAL A 99 -6.358 -18.237 8.177 1.00 1.13 C ATOM 1531 CG2 VAL A 99 -8.848 -18.481 8.389 1.00 1.24 C ATOM 0 H VAL A 99 -6.243 -17.809 4.820 1.00 1.00 H new ATOM 0 HA VAL A 99 -8.645 -18.936 5.676 1.00 1.06 H new ATOM 0 HB VAL A 99 -7.500 -19.908 7.544 1.00 1.16 H new ATOM 0 HG11 VAL A 99 -6.262 -18.587 9.205 1.00 1.13 H new ATOM 0 HG12 VAL A 99 -5.488 -18.554 7.602 1.00 1.13 H new ATOM 0 HG13 VAL A 99 -6.421 -17.149 8.169 1.00 1.13 H new ATOM 0 HG21 VAL A 99 -8.695 -18.814 9.416 1.00 1.24 H new ATOM 0 HG22 VAL A 99 -9.006 -17.403 8.377 1.00 1.24 H new ATOM 0 HG23 VAL A 99 -9.723 -18.980 7.972 1.00 1.24 H new ATOM 1541 N PRO A 100 -9.014 -16.483 5.069 1.00 1.00 N ATOM 1542 CA PRO A 100 -9.439 -15.104 4.898 1.00 1.02 C ATOM 1543 C PRO A 100 -10.757 -14.819 5.608 1.00 1.28 C ATOM 1544 O PRO A 100 -11.386 -13.783 5.390 1.00 1.60 O ATOM 1545 CB PRO A 100 -9.601 -15.019 3.386 1.00 1.04 C ATOM 1546 CG PRO A 100 -10.075 -16.380 2.979 1.00 1.03 C ATOM 1547 CD PRO A 100 -9.617 -17.351 4.046 1.00 1.06 C ATOM 0 HA PRO A 100 -8.742 -14.379 5.318 1.00 1.02 H new ATOM 0 HB2 PRO A 100 -10.320 -14.249 3.107 1.00 1.04 H new ATOM 0 HB3 PRO A 100 -8.659 -14.766 2.900 1.00 1.04 H new ATOM 0 HG2 PRO A 100 -11.161 -16.397 2.884 1.00 1.03 H new ATOM 0 HG3 PRO A 100 -9.666 -16.655 2.007 1.00 1.03 H new ATOM 0 HD2 PRO A 100 -10.451 -17.926 4.449 1.00 1.06 H new ATOM 0 HD3 PRO A 100 -8.896 -18.068 3.653 1.00 1.06 H new ATOM 1555 N SER A 101 -11.161 -15.742 6.468 1.00 1.57 N ATOM 1556 CA SER A 101 -12.419 -15.632 7.189 1.00 1.88 C ATOM 1557 C SER A 101 -12.260 -14.764 8.438 1.00 1.62 C ATOM 1558 O SER A 101 -12.705 -15.135 9.525 1.00 1.94 O ATOM 1559 CB SER A 101 -12.916 -17.029 7.569 1.00 2.76 C ATOM 1560 OG SER A 101 -12.998 -17.866 6.426 1.00 3.39 O ATOM 0 H SER A 101 -10.628 -16.584 6.685 1.00 1.57 H new ATOM 0 HA SER A 101 -13.153 -15.153 6.541 1.00 1.88 H new ATOM 0 HB2 SER A 101 -12.242 -17.472 8.302 1.00 2.76 H new ATOM 0 HB3 SER A 101 -13.896 -16.955 8.041 1.00 2.76 H new ATOM 0 HG SER A 101 -13.316 -18.754 6.693 1.00 3.39 H new ATOM 1566 N GLN A 102 -11.618 -13.614 8.271 1.00 1.61 N ATOM 1567 CA GLN A 102 -11.435 -12.666 9.361 1.00 2.12 C ATOM 1568 C GLN A 102 -12.779 -12.134 9.840 1.00 2.74 C ATOM 1569 O GLN A 102 -13.583 -11.651 9.036 1.00 3.39 O ATOM 1570 CB GLN A 102 -10.539 -11.502 8.925 1.00 2.47 C ATOM 1571 CG GLN A 102 -10.926 -10.897 7.585 1.00 3.02 C ATOM 1572 CD GLN A 102 -10.276 -9.551 7.345 1.00 3.87 C ATOM 1573 OE1 GLN A 102 -9.157 -9.468 6.845 1.00 4.45 O ATOM 1574 NE2 GLN A 102 -10.981 -8.485 7.691 1.00 4.44 N ATOM 0 H GLN A 102 -11.213 -13.315 7.384 1.00 1.61 H new ATOM 0 HA GLN A 102 -10.950 -13.191 10.184 1.00 2.12 H new ATOM 0 HB2 GLN A 102 -10.573 -10.724 9.688 1.00 2.47 H new ATOM 0 HB3 GLN A 102 -9.508 -11.850 8.871 1.00 2.47 H new ATOM 0 HG2 GLN A 102 -10.642 -11.581 6.786 1.00 3.02 H new ATOM 0 HG3 GLN A 102 -12.009 -10.786 7.540 1.00 3.02 H new ATOM 0 HE21 GLN A 102 -11.907 -8.598 8.104 1.00 4.44 H new ATOM 0 HE22 GLN A 102 -10.598 -7.551 7.545 1.00 4.44 H new ATOM 1583 N LYS A 103 -13.016 -12.246 11.149 1.00 3.15 N ATOM 1584 CA LYS A 103 -14.261 -11.807 11.785 1.00 4.06 C ATOM 1585 C LYS A 103 -15.422 -12.736 11.419 1.00 4.57 C ATOM 1586 O LYS A 103 -16.095 -13.269 12.304 1.00 5.24 O ATOM 1587 CB LYS A 103 -14.581 -10.352 11.416 1.00 4.73 C ATOM 1588 CG LYS A 103 -15.818 -9.805 12.105 1.00 5.30 C ATOM 1589 CD LYS A 103 -15.990 -8.316 11.847 1.00 6.25 C ATOM 1590 CE LYS A 103 -16.197 -8.019 10.369 1.00 6.82 C ATOM 1591 NZ LYS A 103 -16.414 -6.569 10.123 1.00 7.43 N ATOM 0 H LYS A 103 -12.344 -12.647 11.803 1.00 3.15 H new ATOM 0 HA LYS A 103 -14.123 -11.856 12.865 1.00 4.06 H new ATOM 0 HB2 LYS A 103 -13.727 -9.725 11.672 1.00 4.73 H new ATOM 0 HB3 LYS A 103 -14.716 -10.282 10.337 1.00 4.73 H new ATOM 0 HG2 LYS A 103 -16.699 -10.340 11.751 1.00 5.30 H new ATOM 0 HG3 LYS A 103 -15.746 -9.983 13.178 1.00 5.30 H new ATOM 0 HD2 LYS A 103 -16.843 -7.945 12.415 1.00 6.25 H new ATOM 0 HD3 LYS A 103 -15.111 -7.781 12.206 1.00 6.25 H new ATOM 0 HE2 LYS A 103 -15.328 -8.357 9.805 1.00 6.82 H new ATOM 0 HE3 LYS A 103 -17.055 -8.582 10.002 1.00 6.82 H new ATOM 0 HZ1 LYS A 103 -16.551 -6.406 9.105 1.00 7.43 H new ATOM 0 HZ2 LYS A 103 -17.258 -6.251 10.641 1.00 7.43 H new ATOM 0 HZ3 LYS A 103 -15.585 -6.033 10.451 1.00 7.43 H new ATOM 1605 N ARG A 104 -15.642 -12.924 10.119 1.00 4.68 N ATOM 1606 CA ARG A 104 -16.650 -13.849 9.608 1.00 5.53 C ATOM 1607 C ARG A 104 -18.042 -13.493 10.127 1.00 5.66 C ATOM 1608 O ARG A 104 -18.549 -14.104 11.074 1.00 5.96 O ATOM 1609 CB ARG A 104 -16.285 -15.290 9.978 1.00 6.11 C ATOM 1610 CG ARG A 104 -17.189 -16.333 9.341 1.00 6.81 C ATOM 1611 CD ARG A 104 -16.779 -17.737 9.742 1.00 7.63 C ATOM 1612 NE ARG A 104 -17.619 -18.755 9.113 1.00 8.13 N ATOM 1613 CZ ARG A 104 -17.315 -20.052 9.084 1.00 8.95 C ATOM 1614 NH1 ARG A 104 -16.192 -20.485 9.640 1.00 9.34 N ATOM 1615 NH2 ARG A 104 -18.135 -20.913 8.495 1.00 9.59 N ATOM 0 H ARG A 104 -15.124 -12.437 9.388 1.00 4.68 H new ATOM 0 HA ARG A 104 -16.670 -13.762 8.522 1.00 5.53 H new ATOM 0 HB2 ARG A 104 -15.255 -15.483 9.678 1.00 6.11 H new ATOM 0 HB3 ARG A 104 -16.327 -15.399 11.062 1.00 6.11 H new ATOM 0 HG2 ARG A 104 -18.222 -16.154 9.641 1.00 6.81 H new ATOM 0 HG3 ARG A 104 -17.151 -16.237 8.256 1.00 6.81 H new ATOM 0 HD2 ARG A 104 -15.738 -17.904 9.464 1.00 7.63 H new ATOM 0 HD3 ARG A 104 -16.839 -17.836 10.826 1.00 7.63 H new ATOM 0 HE ARG A 104 -18.488 -18.455 8.671 1.00 8.13 H new ATOM 0 HH11 ARG A 104 -15.559 -19.825 10.091 1.00 9.34 H new ATOM 0 HH12 ARG A 104 -15.961 -21.478 9.617 1.00 9.34 H new ATOM 0 HH21 ARG A 104 -18.998 -20.582 8.064 1.00 9.59 H new ATOM 0 HH22 ARG A 104 -17.902 -21.906 8.473 1.00 9.59 H new ATOM 1629 N THR A 105 -18.647 -12.492 9.512 1.00 5.79 N ATOM 1630 CA THR A 105 -19.985 -12.071 9.877 1.00 6.20 C ATOM 1631 C THR A 105 -20.986 -12.498 8.804 1.00 6.46 C ATOM 1632 O THR A 105 -21.608 -13.573 8.967 1.00 6.80 O ATOM 1633 CB THR A 105 -20.047 -10.545 10.082 1.00 6.59 C ATOM 1634 OG1 THR A 105 -19.019 -10.145 11.000 1.00 6.66 O ATOM 1635 CG2 THR A 105 -21.404 -10.123 10.627 1.00 7.00 C ATOM 1636 OXT THR A 105 -21.128 -11.774 7.792 1.00 6.62 O ATOM 0 H THR A 105 -18.229 -11.954 8.753 1.00 5.79 H new ATOM 0 HA THR A 105 -20.247 -12.553 10.819 1.00 6.20 H new ATOM 0 HB THR A 105 -19.896 -10.060 9.117 1.00 6.59 H new ATOM 0 HG1 THR A 105 -19.056 -9.174 11.130 1.00 6.66 H new ATOM 0 HG21 THR A 105 -21.421 -9.042 10.763 1.00 7.00 H new ATOM 0 HG22 THR A 105 -22.185 -10.413 9.924 1.00 7.00 H new ATOM 0 HG23 THR A 105 -21.579 -10.612 11.585 1.00 7.00 H new TER 1644 THR A 105 ATOM 1645 N MET B 1 14.503 -24.949 14.423 1.00 7.64 N ATOM 1646 CA MET B 1 13.672 -24.220 13.441 1.00 7.05 C ATOM 1647 C MET B 1 12.676 -23.314 14.152 1.00 6.85 C ATOM 1648 O MET B 1 11.584 -23.743 14.530 1.00 7.13 O ATOM 1649 CB MET B 1 12.932 -25.205 12.529 1.00 7.11 C ATOM 1650 CG MET B 1 12.014 -24.532 11.517 1.00 7.39 C ATOM 1651 SD MET B 1 12.888 -23.403 10.412 1.00 7.66 S ATOM 1652 CE MET B 1 13.920 -24.545 9.493 1.00 7.91 C ATOM 0 H1 MET B 1 15.176 -25.562 13.921 1.00 7.64 H new ATOM 0 H2 MET B 1 15.026 -24.267 15.009 1.00 7.64 H new ATOM 0 H3 MET B 1 13.892 -25.531 15.031 1.00 7.64 H new ATOM 0 HA MET B 1 14.329 -23.602 12.828 1.00 7.05 H new ATOM 0 HB2 MET B 1 13.663 -25.812 11.995 1.00 7.11 H new ATOM 0 HB3 MET B 1 12.343 -25.884 13.145 1.00 7.11 H new ATOM 0 HG2 MET B 1 11.514 -25.297 10.924 1.00 7.39 H new ATOM 0 HG3 MET B 1 11.237 -23.982 12.049 1.00 7.39 H new ATOM 0 HE1 MET B 1 14.328 -24.042 8.616 1.00 7.91 H new ATOM 0 HE2 MET B 1 14.737 -24.888 10.127 1.00 7.91 H new ATOM 0 HE3 MET B 1 13.323 -25.400 9.176 1.00 7.91 H new ATOM 1664 N ALA B 2 13.064 -22.063 14.343 1.00 6.68 N ATOM 1665 CA ALA B 2 12.204 -21.079 14.978 1.00 6.74 C ATOM 1666 C ALA B 2 11.082 -20.674 14.035 1.00 6.15 C ATOM 1667 O ALA B 2 9.920 -20.604 14.437 1.00 6.28 O ATOM 1668 CB ALA B 2 13.016 -19.861 15.390 1.00 7.32 C ATOM 0 H ALA B 2 13.977 -21.704 14.064 1.00 6.68 H new ATOM 0 HA ALA B 2 11.763 -21.522 15.871 1.00 6.74 H new ATOM 0 HB1 ALA B 2 12.361 -19.131 15.865 1.00 7.32 H new ATOM 0 HB2 ALA B 2 13.793 -20.162 16.093 1.00 7.32 H new ATOM 0 HB3 ALA B 2 13.477 -19.416 14.508 1.00 7.32 H new ATOM 1674 N LYS B 3 11.443 -20.431 12.776 1.00 5.79 N ATOM 1675 CA LYS B 3 10.489 -20.035 11.743 1.00 5.53 C ATOM 1676 C LYS B 3 9.624 -18.875 12.228 1.00 5.00 C ATOM 1677 O LYS B 3 8.423 -19.024 12.465 1.00 5.14 O ATOM 1678 CB LYS B 3 9.620 -21.230 11.323 1.00 6.01 C ATOM 1679 CG LYS B 3 8.733 -20.960 10.110 1.00 6.28 C ATOM 1680 CD LYS B 3 9.546 -20.539 8.891 1.00 6.97 C ATOM 1681 CE LYS B 3 10.520 -21.622 8.456 1.00 7.46 C ATOM 1682 NZ LYS B 3 11.329 -21.200 7.284 1.00 7.93 N ATOM 0 H LYS B 3 12.405 -20.503 12.444 1.00 5.79 H new ATOM 0 HA LYS B 3 11.047 -19.699 10.869 1.00 5.53 H new ATOM 0 HB2 LYS B 3 10.269 -22.078 11.104 1.00 6.01 H new ATOM 0 HB3 LYS B 3 8.989 -21.520 12.163 1.00 6.01 H new ATOM 0 HG2 LYS B 3 8.161 -21.857 9.872 1.00 6.28 H new ATOM 0 HG3 LYS B 3 8.014 -20.178 10.354 1.00 6.28 H new ATOM 0 HD2 LYS B 3 8.871 -20.306 8.067 1.00 6.97 H new ATOM 0 HD3 LYS B 3 10.097 -19.626 9.120 1.00 6.97 H new ATOM 0 HE2 LYS B 3 11.183 -21.868 9.285 1.00 7.46 H new ATOM 0 HE3 LYS B 3 9.968 -22.529 8.209 1.00 7.46 H new ATOM 0 HZ1 LYS B 3 11.981 -21.966 7.018 1.00 7.93 H new ATOM 0 HZ2 LYS B 3 10.698 -20.989 6.485 1.00 7.93 H new ATOM 0 HZ3 LYS B 3 11.875 -20.349 7.528 1.00 7.93 H new ATOM 1696 N ILE B 4 10.253 -17.725 12.395 1.00 4.75 N ATOM 1697 CA ILE B 4 9.567 -16.543 12.886 1.00 4.41 C ATOM 1698 C ILE B 4 9.534 -15.466 11.806 1.00 3.66 C ATOM 1699 O ILE B 4 10.525 -15.232 11.114 1.00 3.91 O ATOM 1700 CB ILE B 4 10.239 -15.999 14.173 1.00 5.15 C ATOM 1701 CG1 ILE B 4 9.532 -14.736 14.677 1.00 5.78 C ATOM 1702 CG2 ILE B 4 11.719 -15.723 13.944 1.00 5.59 C ATOM 1703 CD1 ILE B 4 8.108 -14.972 15.129 1.00 6.54 C ATOM 0 H ILE B 4 11.244 -17.584 12.196 1.00 4.75 H new ATOM 0 HA ILE B 4 8.544 -16.824 13.136 1.00 4.41 H new ATOM 0 HB ILE B 4 10.148 -16.769 14.939 1.00 5.15 H new ATOM 0 HG12 ILE B 4 10.102 -14.319 15.507 1.00 5.78 H new ATOM 0 HG13 ILE B 4 9.532 -13.989 13.883 1.00 5.78 H new ATOM 0 HG21 ILE B 4 12.165 -15.342 14.863 1.00 5.59 H new ATOM 0 HG22 ILE B 4 12.220 -16.646 13.653 1.00 5.59 H new ATOM 0 HG23 ILE B 4 11.833 -14.983 13.152 1.00 5.59 H new ATOM 0 HD11 ILE B 4 7.675 -14.032 15.472 1.00 6.54 H new ATOM 0 HD12 ILE B 4 7.521 -15.360 14.296 1.00 6.54 H new ATOM 0 HD13 ILE B 4 8.100 -15.694 15.946 1.00 6.54 H new ATOM 1715 N SER B 5 8.381 -14.843 11.636 1.00 3.24 N ATOM 1716 CA SER B 5 8.233 -13.775 10.667 1.00 2.93 C ATOM 1717 C SER B 5 7.471 -12.606 11.282 1.00 2.01 C ATOM 1718 O SER B 5 6.314 -12.351 10.939 1.00 2.25 O ATOM 1719 CB SER B 5 7.515 -14.293 9.417 1.00 3.70 C ATOM 1720 OG SER B 5 8.193 -15.415 8.871 1.00 4.46 O ATOM 0 H SER B 5 7.532 -15.060 12.159 1.00 3.24 H new ATOM 0 HA SER B 5 9.222 -13.423 10.375 1.00 2.93 H new ATOM 0 HB2 SER B 5 6.491 -14.569 9.669 1.00 3.70 H new ATOM 0 HB3 SER B 5 7.457 -13.500 8.671 1.00 3.70 H new ATOM 0 HG SER B 5 7.716 -15.730 8.075 1.00 4.46 H new ATOM 1726 N SER B 6 8.114 -11.921 12.215 1.00 1.51 N ATOM 1727 CA SER B 6 7.531 -10.744 12.837 1.00 1.03 C ATOM 1728 C SER B 6 7.463 -9.612 11.816 1.00 0.82 C ATOM 1729 O SER B 6 8.488 -9.204 11.266 1.00 0.86 O ATOM 1730 CB SER B 6 8.366 -10.323 14.048 1.00 1.67 C ATOM 1731 OG SER B 6 8.551 -11.409 14.944 1.00 2.25 O ATOM 0 H SER B 6 9.044 -12.162 12.559 1.00 1.51 H new ATOM 0 HA SER B 6 6.522 -10.976 13.179 1.00 1.03 H new ATOM 0 HB2 SER B 6 9.336 -9.954 13.714 1.00 1.67 H new ATOM 0 HB3 SER B 6 7.873 -9.500 14.566 1.00 1.67 H new ATOM 0 HG SER B 6 9.089 -11.114 15.708 1.00 2.25 H new ATOM 1737 N PRO B 7 6.256 -9.093 11.547 1.00 0.70 N ATOM 1738 CA PRO B 7 6.040 -8.112 10.482 1.00 0.54 C ATOM 1739 C PRO B 7 6.548 -6.728 10.853 1.00 0.45 C ATOM 1740 O PRO B 7 6.493 -6.314 12.016 1.00 0.57 O ATOM 1741 CB PRO B 7 4.520 -8.091 10.352 1.00 0.62 C ATOM 1742 CG PRO B 7 4.065 -8.340 11.738 1.00 0.75 C ATOM 1743 CD PRO B 7 5.003 -9.390 12.268 1.00 0.82 C ATOM 0 HA PRO B 7 6.571 -8.374 9.567 1.00 0.54 H new ATOM 0 HB2 PRO B 7 4.160 -7.134 9.975 1.00 0.62 H new ATOM 0 HB3 PRO B 7 4.163 -8.859 9.666 1.00 0.62 H new ATOM 0 HG2 PRO B 7 4.109 -7.431 12.338 1.00 0.75 H new ATOM 0 HG3 PRO B 7 3.032 -8.686 11.759 1.00 0.75 H new ATOM 0 HD2 PRO B 7 5.129 -9.314 13.348 1.00 0.82 H new ATOM 0 HD3 PRO B 7 4.644 -10.398 12.059 1.00 0.82 H new ATOM 1751 N THR B 8 7.052 -6.022 9.867 1.00 0.34 N ATOM 1752 CA THR B 8 7.464 -4.649 10.051 1.00 0.27 C ATOM 1753 C THR B 8 6.309 -3.732 9.699 1.00 0.28 C ATOM 1754 O THR B 8 5.182 -4.199 9.527 1.00 0.34 O ATOM 1755 CB THR B 8 8.669 -4.319 9.164 1.00 0.29 C ATOM 1756 OG1 THR B 8 8.256 -4.301 7.796 1.00 0.37 O ATOM 1757 CG2 THR B 8 9.765 -5.346 9.371 1.00 0.33 C ATOM 0 H THR B 8 7.187 -6.380 8.921 1.00 0.34 H new ATOM 0 HA THR B 8 7.753 -4.505 11.092 1.00 0.27 H new ATOM 0 HB THR B 8 9.062 -3.339 9.433 1.00 0.29 H new ATOM 0 HG1 THR B 8 8.735 -4.997 7.300 1.00 0.37 H new ATOM 0 HG21 THR B 8 10.617 -5.102 8.736 1.00 0.33 H new ATOM 0 HG22 THR B 8 10.077 -5.339 10.415 1.00 0.33 H new ATOM 0 HG23 THR B 8 9.390 -6.336 9.111 1.00 0.33 H new ATOM 1765 N GLU B 9 6.584 -2.442 9.585 1.00 0.28 N ATOM 1766 CA GLU B 9 5.573 -1.477 9.177 1.00 0.33 C ATOM 1767 C GLU B 9 4.913 -1.925 7.891 1.00 0.36 C ATOM 1768 O GLU B 9 3.702 -2.057 7.829 1.00 0.52 O ATOM 1769 CB GLU B 9 6.210 -0.099 8.985 1.00 0.40 C ATOM 1770 CG GLU B 9 5.263 1.001 8.515 1.00 0.56 C ATOM 1771 CD GLU B 9 4.774 0.864 7.079 1.00 1.73 C ATOM 1772 OE1 GLU B 9 5.585 0.550 6.192 1.00 2.48 O ATOM 1773 OE2 GLU B 9 3.565 1.068 6.853 1.00 2.47 O ATOM 0 H GLU B 9 7.502 -2.037 9.770 1.00 0.28 H new ATOM 0 HA GLU B 9 4.815 -1.412 9.958 1.00 0.33 H new ATOM 0 HB2 GLU B 9 6.658 0.210 9.929 1.00 0.40 H new ATOM 0 HB3 GLU B 9 7.021 -0.190 8.262 1.00 0.40 H new ATOM 0 HG2 GLU B 9 4.397 1.020 9.177 1.00 0.56 H new ATOM 0 HG3 GLU B 9 5.767 1.962 8.621 1.00 0.56 H new ATOM 1780 N THR B 10 5.715 -2.187 6.883 1.00 0.26 N ATOM 1781 CA THR B 10 5.195 -2.455 5.557 1.00 0.27 C ATOM 1782 C THR B 10 4.509 -3.804 5.517 1.00 0.27 C ATOM 1783 O THR B 10 3.489 -3.973 4.857 1.00 0.31 O ATOM 1784 CB THR B 10 6.297 -2.369 4.474 1.00 0.27 C ATOM 1785 OG1 THR B 10 6.060 -3.326 3.436 1.00 0.40 O ATOM 1786 CG2 THR B 10 7.682 -2.580 5.070 1.00 0.26 C ATOM 0 H THR B 10 6.732 -2.221 6.955 1.00 0.26 H new ATOM 0 HA THR B 10 4.460 -1.682 5.333 1.00 0.27 H new ATOM 0 HB THR B 10 6.260 -1.366 4.048 1.00 0.27 H new ATOM 0 HG1 THR B 10 6.585 -3.086 2.644 1.00 0.40 H new ATOM 0 HG21 THR B 10 8.432 -2.513 4.281 1.00 0.26 H new ATOM 0 HG22 THR B 10 7.876 -1.814 5.821 1.00 0.26 H new ATOM 0 HG23 THR B 10 7.732 -3.564 5.535 1.00 0.26 H new ATOM 1794 N GLU B 11 5.034 -4.749 6.265 1.00 0.24 N ATOM 1795 CA GLU B 11 4.457 -6.075 6.301 1.00 0.27 C ATOM 1796 C GLU B 11 3.118 -6.047 7.011 1.00 0.30 C ATOM 1797 O GLU B 11 2.155 -6.680 6.577 1.00 0.32 O ATOM 1798 CB GLU B 11 5.417 -7.033 6.980 1.00 0.29 C ATOM 1799 CG GLU B 11 6.795 -6.935 6.382 1.00 0.41 C ATOM 1800 CD GLU B 11 7.769 -7.966 6.911 1.00 1.11 C ATOM 1801 OE1 GLU B 11 7.964 -8.021 8.141 1.00 1.85 O ATOM 1802 OE2 GLU B 11 8.362 -8.702 6.095 1.00 1.71 O ATOM 0 H GLU B 11 5.857 -4.625 6.855 1.00 0.24 H new ATOM 0 HA GLU B 11 4.287 -6.422 5.282 1.00 0.27 H new ATOM 0 HB2 GLU B 11 5.463 -6.811 8.046 1.00 0.29 H new ATOM 0 HB3 GLU B 11 5.047 -8.054 6.883 1.00 0.29 H new ATOM 0 HG2 GLU B 11 6.719 -7.043 5.300 1.00 0.41 H new ATOM 0 HG3 GLU B 11 7.194 -5.939 6.576 1.00 0.41 H new ATOM 1809 N ARG B 12 3.051 -5.277 8.084 1.00 0.35 N ATOM 1810 CA ARG B 12 1.813 -5.135 8.826 1.00 0.42 C ATOM 1811 C ARG B 12 0.853 -4.244 8.055 1.00 0.43 C ATOM 1812 O ARG B 12 -0.353 -4.446 8.098 1.00 0.47 O ATOM 1813 CB ARG B 12 2.065 -4.605 10.256 1.00 0.48 C ATOM 1814 CG ARG B 12 2.499 -3.143 10.369 1.00 0.49 C ATOM 1815 CD ARG B 12 1.329 -2.191 10.204 1.00 0.56 C ATOM 1816 NE ARG B 12 1.586 -0.875 10.790 1.00 1.08 N ATOM 1817 CZ ARG B 12 1.951 0.197 10.088 1.00 1.34 C ATOM 1818 NH1 ARG B 12 2.148 0.093 8.783 1.00 1.86 N ATOM 1819 NH2 ARG B 12 2.131 1.364 10.697 1.00 1.95 N ATOM 0 H ARG B 12 3.836 -4.744 8.458 1.00 0.35 H new ATOM 0 HA ARG B 12 1.357 -6.119 8.937 1.00 0.42 H new ATOM 0 HB2 ARG B 12 1.151 -4.737 10.836 1.00 0.48 H new ATOM 0 HB3 ARG B 12 2.830 -5.226 10.721 1.00 0.48 H new ATOM 0 HG2 ARG B 12 2.968 -2.977 11.339 1.00 0.49 H new ATOM 0 HG3 ARG B 12 3.252 -2.928 9.610 1.00 0.49 H new ATOM 0 HD2 ARG B 12 1.107 -2.075 9.143 1.00 0.56 H new ATOM 0 HD3 ARG B 12 0.444 -2.625 10.669 1.00 0.56 H new ATOM 0 HE ARG B 12 1.479 -0.772 11.799 1.00 1.08 H new ATOM 0 HH11 ARG B 12 2.020 -0.806 8.318 1.00 1.86 H new ATOM 0 HH12 ARG B 12 2.427 0.912 8.243 1.00 1.86 H new ATOM 0 HH21 ARG B 12 1.990 1.441 11.704 1.00 1.95 H new ATOM 0 HH22 ARG B 12 2.410 2.183 10.157 1.00 1.95 H new ATOM 1833 N CYS B 13 1.409 -3.281 7.325 1.00 0.42 N ATOM 1834 CA CYS B 13 0.618 -2.331 6.554 1.00 0.44 C ATOM 1835 C CYS B 13 -0.171 -3.118 5.540 1.00 0.30 C ATOM 1836 O CYS B 13 -1.370 -2.938 5.368 1.00 0.29 O ATOM 1837 CB CYS B 13 1.540 -1.304 5.852 1.00 0.57 C ATOM 1838 SG CYS B 13 1.935 -1.669 4.125 1.00 2.16 S ATOM 0 H CYS B 13 2.416 -3.139 7.252 1.00 0.42 H new ATOM 0 HA CYS B 13 -0.053 -1.773 7.206 1.00 0.44 H new ATOM 0 HB2 CYS B 13 1.066 -0.324 5.899 1.00 0.57 H new ATOM 0 HB3 CYS B 13 2.472 -1.235 6.413 1.00 0.57 H new ATOM 0 HG CYS B 13 2.907 -2.531 4.075 1.00 2.16 H new ATOM 1844 N ILE B 14 0.527 -4.066 4.955 1.00 0.26 N ATOM 1845 CA ILE B 14 0.000 -4.904 3.921 1.00 0.24 C ATOM 1846 C ILE B 14 -1.100 -5.814 4.442 1.00 0.21 C ATOM 1847 O ILE B 14 -2.155 -5.935 3.827 1.00 0.23 O ATOM 1848 CB ILE B 14 1.142 -5.727 3.317 1.00 0.24 C ATOM 1849 CG1 ILE B 14 1.993 -4.840 2.412 1.00 0.25 C ATOM 1850 CG2 ILE B 14 0.615 -6.928 2.564 1.00 0.27 C ATOM 1851 CD1 ILE B 14 3.318 -5.458 2.057 1.00 0.27 C ATOM 0 H ILE B 14 1.496 -4.274 5.196 1.00 0.26 H new ATOM 0 HA ILE B 14 -0.447 -4.273 3.152 1.00 0.24 H new ATOM 0 HB ILE B 14 1.766 -6.104 4.127 1.00 0.24 H new ATOM 0 HG12 ILE B 14 1.440 -4.629 1.497 1.00 0.25 H new ATOM 0 HG13 ILE B 14 2.166 -3.885 2.908 1.00 0.25 H new ATOM 0 HG21 ILE B 14 1.450 -7.491 2.147 1.00 0.27 H new ATOM 0 HG22 ILE B 14 0.051 -7.565 3.245 1.00 0.27 H new ATOM 0 HG23 ILE B 14 -0.036 -6.594 1.756 1.00 0.27 H new ATOM 0 HD11 ILE B 14 3.875 -4.778 1.412 1.00 0.27 H new ATOM 0 HD12 ILE B 14 3.888 -5.644 2.967 1.00 0.27 H new ATOM 0 HD13 ILE B 14 3.152 -6.400 1.534 1.00 0.27 H new ATOM 1863 N GLU B 15 -0.873 -6.423 5.594 1.00 0.24 N ATOM 1864 CA GLU B 15 -1.822 -7.374 6.129 1.00 0.28 C ATOM 1865 C GLU B 15 -3.031 -6.650 6.644 1.00 0.30 C ATOM 1866 O GLU B 15 -4.124 -7.207 6.710 1.00 0.34 O ATOM 1867 CB GLU B 15 -1.220 -8.172 7.264 1.00 0.32 C ATOM 1868 CG GLU B 15 0.014 -8.968 6.873 1.00 0.32 C ATOM 1869 CD GLU B 15 0.514 -9.846 8.002 1.00 0.38 C ATOM 1870 OE1 GLU B 15 0.658 -9.345 9.135 1.00 1.06 O ATOM 1871 OE2 GLU B 15 0.746 -11.050 7.766 1.00 1.25 O ATOM 0 H GLU B 15 -0.045 -6.275 6.170 1.00 0.24 H new ATOM 0 HA GLU B 15 -2.098 -8.055 5.324 1.00 0.28 H new ATOM 0 HB2 GLU B 15 -0.959 -7.492 8.075 1.00 0.32 H new ATOM 0 HB3 GLU B 15 -1.974 -8.857 7.653 1.00 0.32 H new ATOM 0 HG2 GLU B 15 -0.216 -9.589 6.007 1.00 0.32 H new ATOM 0 HG3 GLU B 15 0.806 -8.282 6.571 1.00 0.32 H new ATOM 1878 N SER B 16 -2.839 -5.404 7.025 1.00 0.31 N ATOM 1879 CA SER B 16 -3.940 -4.644 7.531 1.00 0.37 C ATOM 1880 C SER B 16 -4.760 -4.087 6.369 1.00 0.28 C ATOM 1881 O SER B 16 -5.955 -3.864 6.513 1.00 0.28 O ATOM 1882 CB SER B 16 -3.475 -3.547 8.479 1.00 0.54 C ATOM 1883 OG SER B 16 -2.497 -4.024 9.388 1.00 0.97 O ATOM 0 H SER B 16 -1.946 -4.912 6.992 1.00 0.31 H new ATOM 0 HA SER B 16 -4.581 -5.303 8.117 1.00 0.37 H new ATOM 0 HB2 SER B 16 -3.064 -2.718 7.903 1.00 0.54 H new ATOM 0 HB3 SER B 16 -4.329 -3.158 9.033 1.00 0.54 H new ATOM 0 HG SER B 16 -1.603 -3.866 9.019 1.00 0.97 H new ATOM 1889 N LEU B 17 -4.123 -3.886 5.210 1.00 0.27 N ATOM 1890 CA LEU B 17 -4.867 -3.599 3.982 1.00 0.28 C ATOM 1891 C LEU B 17 -5.771 -4.784 3.684 1.00 0.27 C ATOM 1892 O LEU B 17 -6.902 -4.622 3.249 1.00 0.32 O ATOM 1893 CB LEU B 17 -3.936 -3.360 2.786 1.00 0.29 C ATOM 1894 CG LEU B 17 -2.877 -2.275 2.982 1.00 0.33 C ATOM 1895 CD1 LEU B 17 -1.843 -2.306 1.864 1.00 0.33 C ATOM 1896 CD2 LEU B 17 -3.511 -0.891 3.074 1.00 0.46 C ATOM 0 H LEU B 17 -3.110 -3.916 5.098 1.00 0.27 H new ATOM 0 HA LEU B 17 -5.445 -2.688 4.134 1.00 0.28 H new ATOM 0 HB2 LEU B 17 -3.432 -4.296 2.548 1.00 0.29 H new ATOM 0 HB3 LEU B 17 -4.545 -3.097 1.921 1.00 0.29 H new ATOM 0 HG LEU B 17 -2.372 -2.484 3.925 1.00 0.33 H new ATOM 0 HD11 LEU B 17 -1.103 -1.523 2.031 1.00 0.33 H new ATOM 0 HD12 LEU B 17 -1.348 -3.277 1.853 1.00 0.33 H new ATOM 0 HD13 LEU B 17 -2.337 -2.140 0.907 1.00 0.33 H new ATOM 0 HD21 LEU B 17 -2.731 -0.142 3.213 1.00 0.46 H new ATOM 0 HD22 LEU B 17 -4.058 -0.679 2.155 1.00 0.46 H new ATOM 0 HD23 LEU B 17 -4.198 -0.861 3.920 1.00 0.46 H new ATOM 1908 N ILE B 18 -5.247 -5.980 3.940 1.00 0.27 N ATOM 1909 CA ILE B 18 -6.025 -7.205 3.852 1.00 0.30 C ATOM 1910 C ILE B 18 -7.195 -7.139 4.827 1.00 0.28 C ATOM 1911 O ILE B 18 -8.323 -7.491 4.486 1.00 0.30 O ATOM 1912 CB ILE B 18 -5.139 -8.461 4.125 1.00 0.36 C ATOM 1913 CG1 ILE B 18 -4.478 -8.962 2.832 1.00 0.62 C ATOM 1914 CG2 ILE B 18 -5.944 -9.590 4.749 1.00 0.47 C ATOM 1915 CD1 ILE B 18 -3.558 -7.966 2.163 1.00 1.37 C ATOM 0 H ILE B 18 -4.275 -6.123 4.213 1.00 0.27 H new ATOM 0 HA ILE B 18 -6.413 -7.299 2.838 1.00 0.30 H new ATOM 0 HB ILE B 18 -4.365 -8.154 4.829 1.00 0.36 H new ATOM 0 HG12 ILE B 18 -3.911 -9.865 3.057 1.00 0.62 H new ATOM 0 HG13 ILE B 18 -5.260 -9.244 2.127 1.00 0.62 H new ATOM 0 HG21 ILE B 18 -5.294 -10.447 4.924 1.00 0.47 H new ATOM 0 HG22 ILE B 18 -6.366 -9.255 5.696 1.00 0.47 H new ATOM 0 HG23 ILE B 18 -6.750 -9.878 4.074 1.00 0.47 H new ATOM 0 HD11 ILE B 18 -3.138 -8.408 1.259 1.00 1.37 H new ATOM 0 HD12 ILE B 18 -4.121 -7.070 1.901 1.00 1.37 H new ATOM 0 HD13 ILE B 18 -2.751 -7.701 2.846 1.00 1.37 H new ATOM 1927 N ALA B 19 -6.918 -6.631 6.021 1.00 0.25 N ATOM 1928 CA ALA B 19 -7.925 -6.501 7.059 1.00 0.25 C ATOM 1929 C ALA B 19 -9.037 -5.534 6.650 1.00 0.23 C ATOM 1930 O ALA B 19 -10.218 -5.872 6.721 1.00 0.27 O ATOM 1931 CB ALA B 19 -7.280 -6.042 8.359 1.00 0.28 C ATOM 0 H ALA B 19 -5.993 -6.300 6.294 1.00 0.25 H new ATOM 0 HA ALA B 19 -8.378 -7.481 7.208 1.00 0.25 H new ATOM 0 HB1 ALA B 19 -8.044 -5.948 9.131 1.00 0.28 H new ATOM 0 HB2 ALA B 19 -6.535 -6.773 8.673 1.00 0.28 H new ATOM 0 HB3 ALA B 19 -6.799 -5.076 8.205 1.00 0.28 H new ATOM 1937 N VAL B 20 -8.652 -4.339 6.216 1.00 0.20 N ATOM 1938 CA VAL B 20 -9.613 -3.299 5.871 1.00 0.22 C ATOM 1939 C VAL B 20 -10.339 -3.635 4.589 1.00 0.23 C ATOM 1940 O VAL B 20 -11.547 -3.415 4.465 1.00 0.27 O ATOM 1941 CB VAL B 20 -8.931 -1.925 5.738 1.00 0.27 C ATOM 1942 CG1 VAL B 20 -8.065 -1.705 6.929 1.00 0.87 C ATOM 1943 CG2 VAL B 20 -8.104 -1.798 4.467 1.00 0.87 C ATOM 0 H VAL B 20 -7.677 -4.066 6.095 1.00 0.20 H new ATOM 0 HA VAL B 20 -10.337 -3.248 6.684 1.00 0.22 H new ATOM 0 HB VAL B 20 -9.713 -1.167 5.680 1.00 0.27 H new ATOM 0 HG11 VAL B 20 -7.575 -0.735 6.848 1.00 0.87 H new ATOM 0 HG12 VAL B 20 -8.675 -1.730 7.832 1.00 0.87 H new ATOM 0 HG13 VAL B 20 -7.310 -2.490 6.980 1.00 0.87 H new ATOM 0 HG21 VAL B 20 -7.647 -0.809 4.427 1.00 0.87 H new ATOM 0 HG22 VAL B 20 -7.323 -2.559 4.463 1.00 0.87 H new ATOM 0 HG23 VAL B 20 -8.748 -1.935 3.599 1.00 0.87 H new ATOM 1953 N PHE B 21 -9.600 -4.172 3.640 1.00 0.22 N ATOM 1954 CA PHE B 21 -10.191 -4.556 2.375 1.00 0.25 C ATOM 1955 C PHE B 21 -11.253 -5.627 2.585 1.00 0.29 C ATOM 1956 O PHE B 21 -12.396 -5.464 2.176 1.00 0.35 O ATOM 1957 CB PHE B 21 -9.131 -5.066 1.404 1.00 0.26 C ATOM 1958 CG PHE B 21 -9.691 -5.401 0.057 1.00 0.91 C ATOM 1959 CD1 PHE B 21 -10.186 -6.666 -0.209 1.00 1.59 C ATOM 1960 CD2 PHE B 21 -9.737 -4.446 -0.939 1.00 1.85 C ATOM 1961 CE1 PHE B 21 -10.715 -6.969 -1.443 1.00 2.17 C ATOM 1962 CE2 PHE B 21 -10.262 -4.744 -2.175 1.00 2.48 C ATOM 1963 CZ PHE B 21 -10.753 -6.006 -2.427 1.00 2.40 C ATOM 0 H PHE B 21 -8.599 -4.351 3.719 1.00 0.22 H new ATOM 0 HA PHE B 21 -10.657 -3.669 1.945 1.00 0.25 H new ATOM 0 HB2 PHE B 21 -8.354 -4.310 1.292 1.00 0.26 H new ATOM 0 HB3 PHE B 21 -8.655 -5.952 1.825 1.00 0.26 H new ATOM 0 HD1 PHE B 21 -10.157 -7.424 0.560 1.00 1.59 H new ATOM 0 HD2 PHE B 21 -9.357 -3.454 -0.746 1.00 1.85 H new ATOM 0 HE1 PHE B 21 -11.099 -7.959 -1.639 1.00 2.17 H new ATOM 0 HE2 PHE B 21 -10.289 -3.989 -2.947 1.00 2.48 H new ATOM 0 HZ PHE B 21 -11.168 -6.240 -3.396 1.00 2.40 H new ATOM 1973 N GLN B 22 -10.873 -6.702 3.259 1.00 0.30 N ATOM 1974 CA GLN B 22 -11.739 -7.861 3.414 1.00 0.37 C ATOM 1975 C GLN B 22 -12.895 -7.602 4.368 1.00 0.36 C ATOM 1976 O GLN B 22 -13.881 -8.337 4.353 1.00 0.44 O ATOM 1977 CB GLN B 22 -10.920 -9.070 3.860 1.00 0.47 C ATOM 1978 CG GLN B 22 -10.350 -9.865 2.696 1.00 1.11 C ATOM 1979 CD GLN B 22 -11.426 -10.554 1.871 1.00 1.98 C ATOM 1980 OE1 GLN B 22 -12.477 -10.934 2.387 1.00 2.68 O ATOM 1981 NE2 GLN B 22 -11.170 -10.717 0.582 1.00 2.65 N ATOM 0 H GLN B 22 -9.963 -6.796 3.711 1.00 0.30 H new ATOM 0 HA GLN B 22 -12.184 -8.070 2.441 1.00 0.37 H new ATOM 0 HB2 GLN B 22 -10.102 -8.733 4.497 1.00 0.47 H new ATOM 0 HB3 GLN B 22 -11.548 -9.723 4.466 1.00 0.47 H new ATOM 0 HG2 GLN B 22 -9.776 -9.198 2.052 1.00 1.11 H new ATOM 0 HG3 GLN B 22 -9.656 -10.614 3.078 1.00 1.11 H new ATOM 0 HE21 GLN B 22 -10.287 -10.388 0.192 1.00 2.65 H new ATOM 0 HE22 GLN B 22 -11.856 -11.171 -0.021 1.00 2.65 H new ATOM 1990 N LYS B 23 -12.799 -6.577 5.202 1.00 0.35 N ATOM 1991 CA LYS B 23 -13.905 -6.272 6.087 1.00 0.39 C ATOM 1992 C LYS B 23 -14.998 -5.508 5.342 1.00 0.41 C ATOM 1993 O LYS B 23 -16.185 -5.715 5.588 1.00 0.49 O ATOM 1994 CB LYS B 23 -13.437 -5.491 7.314 1.00 0.41 C ATOM 1995 CG LYS B 23 -12.967 -4.100 7.017 1.00 0.42 C ATOM 1996 CD LYS B 23 -12.263 -3.527 8.216 1.00 0.63 C ATOM 1997 CE LYS B 23 -12.183 -2.028 8.112 1.00 0.64 C ATOM 1998 NZ LYS B 23 -11.503 -1.405 9.278 1.00 0.91 N ATOM 0 H LYS B 23 -11.990 -5.960 5.282 1.00 0.35 H new ATOM 0 HA LYS B 23 -14.323 -7.217 6.435 1.00 0.39 H new ATOM 0 HB2 LYS B 23 -14.256 -5.440 8.032 1.00 0.41 H new ATOM 0 HB3 LYS B 23 -12.627 -6.041 7.793 1.00 0.41 H new ATOM 0 HG2 LYS B 23 -12.293 -4.110 6.160 1.00 0.42 H new ATOM 0 HG3 LYS B 23 -13.815 -3.471 6.748 1.00 0.42 H new ATOM 0 HD2 LYS B 23 -12.795 -3.807 9.126 1.00 0.63 H new ATOM 0 HD3 LYS B 23 -11.260 -3.947 8.291 1.00 0.63 H new ATOM 0 HE2 LYS B 23 -11.650 -1.760 7.200 1.00 0.64 H new ATOM 0 HE3 LYS B 23 -13.190 -1.620 8.024 1.00 0.64 H new ATOM 0 HZ1 LYS B 23 -11.355 -0.392 9.093 1.00 0.91 H new ATOM 0 HZ2 LYS B 23 -12.094 -1.519 10.126 1.00 0.91 H new ATOM 0 HZ3 LYS B 23 -10.584 -1.867 9.431 1.00 0.91 H new ATOM 2012 N TYR B 24 -14.601 -4.624 4.433 1.00 0.36 N ATOM 2013 CA TYR B 24 -15.568 -3.854 3.664 1.00 0.39 C ATOM 2014 C TYR B 24 -16.027 -4.606 2.424 1.00 0.34 C ATOM 2015 O TYR B 24 -17.206 -4.597 2.085 1.00 0.40 O ATOM 2016 CB TYR B 24 -15.003 -2.491 3.293 1.00 0.46 C ATOM 2017 CG TYR B 24 -15.322 -1.426 4.318 1.00 0.86 C ATOM 2018 CD1 TYR B 24 -16.498 -0.694 4.229 1.00 1.66 C ATOM 2019 CD2 TYR B 24 -14.464 -1.162 5.376 1.00 1.52 C ATOM 2020 CE1 TYR B 24 -16.810 0.271 5.164 1.00 1.99 C ATOM 2021 CE2 TYR B 24 -14.768 -0.193 6.315 1.00 1.83 C ATOM 2022 CZ TYR B 24 -15.944 0.517 6.203 1.00 1.71 C ATOM 2023 OH TYR B 24 -16.256 1.479 7.136 1.00 2.15 O ATOM 0 H TYR B 24 -13.625 -4.425 4.213 1.00 0.36 H new ATOM 0 HA TYR B 24 -16.443 -3.702 4.297 1.00 0.39 H new ATOM 0 HB2 TYR B 24 -13.922 -2.569 3.181 1.00 0.46 H new ATOM 0 HB3 TYR B 24 -15.402 -2.188 2.325 1.00 0.46 H new ATOM 0 HD1 TYR B 24 -17.180 -0.883 3.414 1.00 1.66 H new ATOM 0 HD2 TYR B 24 -13.545 -1.722 5.468 1.00 1.52 H new ATOM 0 HE1 TYR B 24 -17.730 0.830 5.080 1.00 1.99 H new ATOM 0 HE2 TYR B 24 -14.088 0.006 7.130 1.00 1.83 H new ATOM 0 HH TYR B 24 -16.075 2.367 6.763 1.00 2.15 H new ATOM 2033 N ALA B 25 -15.095 -5.264 1.752 1.00 0.29 N ATOM 2034 CA ALA B 25 -15.432 -6.100 0.608 1.00 0.34 C ATOM 2035 C ALA B 25 -16.210 -7.320 1.081 1.00 0.47 C ATOM 2036 O ALA B 25 -16.939 -7.956 0.316 1.00 0.58 O ATOM 2037 CB ALA B 25 -14.169 -6.519 -0.133 1.00 0.37 C ATOM 0 H ALA B 25 -14.101 -5.236 1.978 1.00 0.29 H new ATOM 0 HA ALA B 25 -16.054 -5.531 -0.083 1.00 0.34 H new ATOM 0 HB1 ALA B 25 -14.437 -7.143 -0.985 1.00 0.37 H new ATOM 0 HB2 ALA B 25 -13.642 -5.632 -0.485 1.00 0.37 H new ATOM 0 HB3 ALA B 25 -13.522 -7.082 0.540 1.00 0.37 H new ATOM 2043 N GLY B 26 -16.058 -7.621 2.365 1.00 0.50 N ATOM 2044 CA GLY B 26 -16.748 -8.748 2.956 1.00 0.64 C ATOM 2045 C GLY B 26 -18.152 -8.397 3.419 1.00 0.76 C ATOM 2046 O GLY B 26 -18.897 -9.271 3.864 1.00 0.96 O ATOM 0 H GLY B 26 -15.464 -7.099 3.010 1.00 0.50 H new ATOM 0 HA2 GLY B 26 -16.801 -9.558 2.229 1.00 0.64 H new ATOM 0 HA3 GLY B 26 -16.172 -9.118 3.804 1.00 0.64 H new ATOM 2050 N LYS B 27 -18.517 -7.120 3.313 1.00 0.69 N ATOM 2051 CA LYS B 27 -19.846 -6.668 3.718 1.00 0.82 C ATOM 2052 C LYS B 27 -20.906 -7.213 2.770 1.00 0.95 C ATOM 2053 O LYS B 27 -21.846 -7.884 3.196 1.00 1.11 O ATOM 2054 CB LYS B 27 -19.917 -5.139 3.741 1.00 0.77 C ATOM 2055 CG LYS B 27 -19.097 -4.487 4.841 1.00 0.81 C ATOM 2056 CD LYS B 27 -18.935 -2.989 4.602 1.00 0.86 C ATOM 2057 CE LYS B 27 -20.269 -2.258 4.563 1.00 1.11 C ATOM 2058 NZ LYS B 27 -20.978 -2.305 5.869 1.00 1.72 N ATOM 0 H LYS B 27 -17.913 -6.382 2.951 1.00 0.69 H new ATOM 0 HA LYS B 27 -20.036 -7.045 4.723 1.00 0.82 H new ATOM 0 HB2 LYS B 27 -19.578 -4.758 2.778 1.00 0.77 H new ATOM 0 HB3 LYS B 27 -20.958 -4.838 3.854 1.00 0.77 H new ATOM 0 HG2 LYS B 27 -19.580 -4.653 5.804 1.00 0.81 H new ATOM 0 HG3 LYS B 27 -18.115 -4.957 4.892 1.00 0.81 H new ATOM 0 HD2 LYS B 27 -18.314 -2.564 5.390 1.00 0.86 H new ATOM 0 HD3 LYS B 27 -18.409 -2.829 3.661 1.00 0.86 H new ATOM 0 HE2 LYS B 27 -20.103 -1.219 4.280 1.00 1.11 H new ATOM 0 HE3 LYS B 27 -20.901 -2.701 3.793 1.00 1.11 H new ATOM 0 HZ1 LYS B 27 -21.839 -1.724 5.818 1.00 1.72 H new ATOM 0 HZ2 LYS B 27 -21.237 -3.288 6.088 1.00 1.72 H new ATOM 0 HZ3 LYS B 27 -20.355 -1.936 6.616 1.00 1.72 H new ATOM 2072 N ASP B 28 -20.747 -6.924 1.480 1.00 1.00 N ATOM 2073 CA ASP B 28 -21.684 -7.413 0.474 1.00 1.19 C ATOM 2074 C ASP B 28 -21.496 -8.913 0.274 1.00 1.26 C ATOM 2075 O ASP B 28 -22.414 -9.625 -0.130 1.00 1.58 O ATOM 2076 CB ASP B 28 -21.495 -6.676 -0.861 1.00 1.33 C ATOM 2077 CG ASP B 28 -22.712 -6.774 -1.767 1.00 1.65 C ATOM 2078 OD1 ASP B 28 -22.935 -7.841 -2.376 1.00 2.15 O ATOM 2079 OD2 ASP B 28 -23.457 -5.775 -1.881 1.00 2.09 O ATOM 0 H ASP B 28 -19.984 -6.358 1.110 1.00 1.00 H new ATOM 0 HA ASP B 28 -22.697 -7.220 0.828 1.00 1.19 H new ATOM 0 HB2 ASP B 28 -21.279 -5.626 -0.663 1.00 1.33 H new ATOM 0 HB3 ASP B 28 -20.629 -7.088 -1.378 1.00 1.33 H new ATOM 2084 N GLY B 29 -20.294 -9.385 0.583 1.00 1.15 N ATOM 2085 CA GLY B 29 -20.018 -10.808 0.551 1.00 1.32 C ATOM 2086 C GLY B 29 -19.438 -11.273 -0.765 1.00 1.51 C ATOM 2087 O GLY B 29 -19.867 -12.288 -1.308 1.00 1.64 O ATOM 0 H GLY B 29 -19.502 -8.803 0.857 1.00 1.15 H new ATOM 0 HA2 GLY B 29 -19.324 -11.055 1.354 1.00 1.32 H new ATOM 0 HA3 GLY B 29 -20.940 -11.355 0.748 1.00 1.32 H new ATOM 2091 N TYR B 30 -18.463 -10.543 -1.281 1.00 2.07 N ATOM 2092 CA TYR B 30 -17.819 -10.921 -2.533 1.00 2.80 C ATOM 2093 C TYR B 30 -16.537 -11.698 -2.272 1.00 2.61 C ATOM 2094 O TYR B 30 -16.150 -11.903 -1.119 1.00 3.02 O ATOM 2095 CB TYR B 30 -17.516 -9.688 -3.384 1.00 3.68 C ATOM 2096 CG TYR B 30 -18.738 -9.081 -4.029 1.00 4.52 C ATOM 2097 CD1 TYR B 30 -19.351 -9.698 -5.112 1.00 5.11 C ATOM 2098 CD2 TYR B 30 -19.271 -7.888 -3.566 1.00 5.12 C ATOM 2099 CE1 TYR B 30 -20.463 -9.143 -5.714 1.00 6.04 C ATOM 2100 CE2 TYR B 30 -20.384 -7.329 -4.161 1.00 6.09 C ATOM 2101 CZ TYR B 30 -20.974 -7.957 -5.234 1.00 6.46 C ATOM 2102 OH TYR B 30 -22.077 -7.394 -5.833 1.00 7.51 O ATOM 0 H TYR B 30 -18.100 -9.689 -0.857 1.00 2.07 H new ATOM 0 HA TYR B 30 -18.510 -11.562 -3.080 1.00 2.80 H new ATOM 0 HB2 TYR B 30 -17.034 -8.936 -2.759 1.00 3.68 H new ATOM 0 HB3 TYR B 30 -16.803 -9.961 -4.162 1.00 3.68 H new ATOM 0 HD1 TYR B 30 -18.951 -10.627 -5.490 1.00 5.11 H new ATOM 0 HD2 TYR B 30 -18.809 -7.389 -2.727 1.00 5.12 H new ATOM 0 HE1 TYR B 30 -20.929 -9.635 -6.555 1.00 6.04 H new ATOM 0 HE2 TYR B 30 -20.791 -6.402 -3.786 1.00 6.09 H new ATOM 0 HH TYR B 30 -22.310 -6.561 -5.373 1.00 7.51 H new ATOM 2112 N ASN B 31 -15.884 -12.130 -3.342 1.00 2.62 N ATOM 2113 CA ASN B 31 -14.633 -12.869 -3.227 1.00 2.78 C ATOM 2114 C ASN B 31 -13.537 -11.967 -2.681 1.00 1.96 C ATOM 2115 O ASN B 31 -13.115 -12.102 -1.529 1.00 2.53 O ATOM 2116 CB ASN B 31 -14.206 -13.444 -4.584 1.00 3.85 C ATOM 2117 CG ASN B 31 -15.057 -14.618 -5.026 1.00 4.61 C ATOM 2118 OD1 ASN B 31 -14.740 -15.769 -4.731 1.00 4.92 O ATOM 2119 ND2 ASN B 31 -16.126 -14.342 -5.752 1.00 5.33 N ATOM 0 H ASN B 31 -16.200 -11.982 -4.301 1.00 2.62 H new ATOM 0 HA ASN B 31 -14.794 -13.697 -2.537 1.00 2.78 H new ATOM 0 HB2 ASN B 31 -14.261 -12.659 -5.338 1.00 3.85 H new ATOM 0 HB3 ASN B 31 -13.164 -13.759 -4.527 1.00 3.85 H new ATOM 0 HD21 ASN B 31 -16.722 -15.098 -6.089 1.00 5.33 H new ATOM 0 HD22 ASN B 31 -16.355 -13.373 -5.975 1.00 5.33 H new ATOM 2126 N TYR B 32 -13.086 -11.037 -3.512 1.00 1.18 N ATOM 2127 CA TYR B 32 -12.065 -10.088 -3.110 1.00 1.18 C ATOM 2128 C TYR B 32 -12.171 -8.794 -3.915 1.00 0.91 C ATOM 2129 O TYR B 32 -11.187 -8.298 -4.461 1.00 1.04 O ATOM 2130 CB TYR B 32 -10.658 -10.704 -3.215 1.00 1.78 C ATOM 2131 CG TYR B 32 -10.387 -11.487 -4.487 1.00 2.38 C ATOM 2132 CD1 TYR B 32 -10.656 -12.849 -4.559 1.00 3.08 C ATOM 2133 CD2 TYR B 32 -9.844 -10.870 -5.604 1.00 2.99 C ATOM 2134 CE1 TYR B 32 -10.396 -13.569 -5.712 1.00 3.93 C ATOM 2135 CE2 TYR B 32 -9.585 -11.582 -6.759 1.00 3.86 C ATOM 2136 CZ TYR B 32 -9.861 -12.930 -6.808 1.00 4.19 C ATOM 2137 OH TYR B 32 -9.601 -13.641 -7.958 1.00 5.19 O ATOM 0 H TYR B 32 -13.414 -10.922 -4.471 1.00 1.18 H new ATOM 0 HA TYR B 32 -12.234 -9.839 -2.062 1.00 1.18 H new ATOM 0 HB2 TYR B 32 -9.922 -9.904 -3.137 1.00 1.78 H new ATOM 0 HB3 TYR B 32 -10.503 -11.364 -2.361 1.00 1.78 H new ATOM 0 HD1 TYR B 32 -11.075 -13.354 -3.701 1.00 3.08 H new ATOM 0 HD2 TYR B 32 -9.620 -9.814 -5.570 1.00 2.99 H new ATOM 0 HE1 TYR B 32 -10.612 -14.627 -5.752 1.00 3.93 H new ATOM 0 HE2 TYR B 32 -9.167 -11.083 -7.621 1.00 3.86 H new ATOM 0 HH TYR B 32 -9.227 -13.041 -8.636 1.00 5.19 H new ATOM 2147 N THR B 33 -13.382 -8.259 -3.979 1.00 0.66 N ATOM 2148 CA THR B 33 -13.628 -6.959 -4.588 1.00 0.45 C ATOM 2149 C THR B 33 -14.520 -6.113 -3.690 1.00 0.37 C ATOM 2150 O THR B 33 -15.510 -6.592 -3.135 1.00 0.44 O ATOM 2151 CB THR B 33 -14.279 -7.083 -5.979 1.00 0.45 C ATOM 2152 OG1 THR B 33 -14.776 -8.412 -6.195 1.00 0.66 O ATOM 2153 CG2 THR B 33 -13.327 -6.696 -7.083 1.00 0.43 C ATOM 0 H THR B 33 -14.219 -8.712 -3.612 1.00 0.66 H new ATOM 0 HA THR B 33 -12.658 -6.477 -4.710 1.00 0.45 H new ATOM 0 HB THR B 33 -15.117 -6.386 -6.003 1.00 0.45 H new ATOM 0 HG1 THR B 33 -15.756 -8.400 -6.187 1.00 0.66 H new ATOM 0 HG21 THR B 33 -13.826 -6.798 -8.046 1.00 0.43 H new ATOM 0 HG22 THR B 33 -13.011 -5.662 -6.945 1.00 0.43 H new ATOM 0 HG23 THR B 33 -12.454 -7.348 -7.056 1.00 0.43 H new ATOM 2161 N LEU B 34 -14.132 -4.864 -3.535 1.00 0.32 N ATOM 2162 CA LEU B 34 -14.872 -3.898 -2.754 1.00 0.30 C ATOM 2163 C LEU B 34 -15.896 -3.229 -3.650 1.00 0.31 C ATOM 2164 O LEU B 34 -15.559 -2.389 -4.479 1.00 0.34 O ATOM 2165 CB LEU B 34 -13.865 -2.889 -2.183 1.00 0.29 C ATOM 2166 CG LEU B 34 -13.865 -2.726 -0.666 1.00 0.29 C ATOM 2167 CD1 LEU B 34 -12.528 -2.185 -0.185 1.00 0.45 C ATOM 2168 CD2 LEU B 34 -14.975 -1.797 -0.241 1.00 0.28 C ATOM 0 H LEU B 34 -13.282 -4.487 -3.954 1.00 0.32 H new ATOM 0 HA LEU B 34 -15.407 -4.366 -1.928 1.00 0.30 H new ATOM 0 HB2 LEU B 34 -12.865 -3.188 -2.496 1.00 0.29 H new ATOM 0 HB3 LEU B 34 -14.062 -1.916 -2.633 1.00 0.29 H new ATOM 0 HG LEU B 34 -14.028 -3.706 -0.217 1.00 0.29 H new ATOM 0 HD11 LEU B 34 -12.548 -2.076 0.899 1.00 0.45 H new ATOM 0 HD12 LEU B 34 -11.734 -2.877 -0.465 1.00 0.45 H new ATOM 0 HD13 LEU B 34 -12.342 -1.214 -0.644 1.00 0.45 H new ATOM 0 HD21 LEU B 34 -14.964 -1.689 0.844 1.00 0.28 H new ATOM 0 HD22 LEU B 34 -14.830 -0.821 -0.704 1.00 0.28 H new ATOM 0 HD23 LEU B 34 -15.934 -2.209 -0.555 1.00 0.28 H new ATOM 2180 N SER B 35 -17.147 -3.632 -3.489 1.00 0.31 N ATOM 2181 CA SER B 35 -18.205 -3.224 -4.394 1.00 0.33 C ATOM 2182 C SER B 35 -18.502 -1.730 -4.282 1.00 0.32 C ATOM 2183 O SER B 35 -18.010 -1.060 -3.373 1.00 0.30 O ATOM 2184 CB SER B 35 -19.458 -4.067 -4.151 1.00 0.37 C ATOM 2185 OG SER B 35 -20.470 -3.785 -5.105 1.00 0.40 O ATOM 0 H SER B 35 -17.454 -4.245 -2.734 1.00 0.31 H new ATOM 0 HA SER B 35 -17.866 -3.398 -5.415 1.00 0.33 H new ATOM 0 HB2 SER B 35 -19.200 -5.125 -4.196 1.00 0.37 H new ATOM 0 HB3 SER B 35 -19.839 -3.874 -3.148 1.00 0.37 H new ATOM 0 HG SER B 35 -21.256 -4.341 -4.922 1.00 0.40 H new ATOM 2191 N LYS B 36 -19.321 -1.234 -5.210 1.00 0.38 N ATOM 2192 CA LYS B 36 -19.561 0.198 -5.382 1.00 0.42 C ATOM 2193 C LYS B 36 -19.836 0.889 -4.054 1.00 0.36 C ATOM 2194 O LYS B 36 -19.057 1.726 -3.607 1.00 0.35 O ATOM 2195 CB LYS B 36 -20.743 0.413 -6.334 1.00 0.53 C ATOM 2196 CG LYS B 36 -21.087 1.875 -6.569 1.00 0.62 C ATOM 2197 CD LYS B 36 -19.971 2.595 -7.304 1.00 0.66 C ATOM 2198 CE LYS B 36 -20.303 4.060 -7.538 1.00 0.61 C ATOM 2199 NZ LYS B 36 -21.503 4.236 -8.398 1.00 0.65 N ATOM 0 H LYS B 36 -19.839 -1.818 -5.867 1.00 0.38 H new ATOM 0 HA LYS B 36 -18.659 0.639 -5.805 1.00 0.42 H new ATOM 0 HB2 LYS B 36 -20.515 -0.055 -7.292 1.00 0.53 H new ATOM 0 HB3 LYS B 36 -21.619 -0.096 -5.931 1.00 0.53 H new ATOM 0 HG2 LYS B 36 -22.009 1.945 -7.146 1.00 0.62 H new ATOM 0 HG3 LYS B 36 -21.271 2.365 -5.613 1.00 0.62 H new ATOM 0 HD2 LYS B 36 -19.048 2.519 -6.729 1.00 0.66 H new ATOM 0 HD3 LYS B 36 -19.791 2.106 -8.261 1.00 0.66 H new ATOM 0 HE2 LYS B 36 -20.471 4.550 -6.579 1.00 0.61 H new ATOM 0 HE3 LYS B 36 -19.450 4.554 -8.003 1.00 0.61 H new ATOM 0 HZ1 LYS B 36 -21.592 5.236 -8.669 1.00 0.65 H new ATOM 0 HZ2 LYS B 36 -21.405 3.653 -9.254 1.00 0.65 H new ATOM 0 HZ3 LYS B 36 -22.352 3.942 -7.874 1.00 0.65 H new ATOM 2213 N THR B 37 -20.918 0.497 -3.415 1.00 0.37 N ATOM 2214 CA THR B 37 -21.346 1.113 -2.174 1.00 0.38 C ATOM 2215 C THR B 37 -20.376 0.797 -1.041 1.00 0.36 C ATOM 2216 O THR B 37 -20.257 1.549 -0.069 1.00 0.38 O ATOM 2217 CB THR B 37 -22.737 0.604 -1.795 1.00 0.44 C ATOM 2218 OG1 THR B 37 -23.637 0.772 -2.900 1.00 0.47 O ATOM 2219 CG2 THR B 37 -23.272 1.345 -0.581 1.00 0.49 C ATOM 0 H THR B 37 -21.525 -0.256 -3.739 1.00 0.37 H new ATOM 0 HA THR B 37 -21.370 2.192 -2.325 1.00 0.38 H new ATOM 0 HB THR B 37 -22.659 -0.455 -1.548 1.00 0.44 H new ATOM 0 HG1 THR B 37 -24.526 0.442 -2.651 1.00 0.47 H new ATOM 0 HG21 THR B 37 -24.263 0.966 -0.331 1.00 0.49 H new ATOM 0 HG22 THR B 37 -22.600 1.192 0.264 1.00 0.49 H new ATOM 0 HG23 THR B 37 -23.337 2.410 -0.804 1.00 0.49 H new ATOM 2227 N GLU B 38 -19.657 -0.299 -1.193 1.00 0.34 N ATOM 2228 CA GLU B 38 -18.798 -0.790 -0.140 1.00 0.33 C ATOM 2229 C GLU B 38 -17.589 0.119 0.014 1.00 0.33 C ATOM 2230 O GLU B 38 -17.144 0.376 1.133 1.00 0.48 O ATOM 2231 CB GLU B 38 -18.373 -2.225 -0.429 1.00 0.34 C ATOM 2232 CG GLU B 38 -19.532 -3.124 -0.829 1.00 0.47 C ATOM 2233 CD GLU B 38 -20.636 -3.175 0.207 1.00 1.27 C ATOM 2234 OE1 GLU B 38 -21.560 -2.337 0.137 1.00 2.16 O ATOM 2235 OE2 GLU B 38 -20.598 -4.058 1.077 1.00 1.96 O ATOM 0 H GLU B 38 -19.653 -0.866 -2.041 1.00 0.34 H new ATOM 0 HA GLU B 38 -19.350 -0.786 0.800 1.00 0.33 H new ATOM 0 HB2 GLU B 38 -17.631 -2.223 -1.227 1.00 0.34 H new ATOM 0 HB3 GLU B 38 -17.889 -2.639 0.456 1.00 0.34 H new ATOM 0 HG2 GLU B 38 -19.946 -2.772 -1.774 1.00 0.47 H new ATOM 0 HG3 GLU B 38 -19.158 -4.133 -1.001 1.00 0.47 H new ATOM 2242 N PHE B 39 -17.070 0.645 -1.102 1.00 0.29 N ATOM 2243 CA PHE B 39 -15.944 1.557 -1.006 1.00 0.31 C ATOM 2244 C PHE B 39 -16.437 2.952 -0.749 1.00 0.28 C ATOM 2245 O PHE B 39 -15.713 3.786 -0.229 1.00 0.27 O ATOM 2246 CB PHE B 39 -15.012 1.544 -2.221 1.00 0.53 C ATOM 2247 CG PHE B 39 -15.641 1.772 -3.561 1.00 0.81 C ATOM 2248 CD1 PHE B 39 -15.989 3.045 -3.974 1.00 1.78 C ATOM 2249 CD2 PHE B 39 -15.843 0.713 -4.426 1.00 1.76 C ATOM 2250 CE1 PHE B 39 -16.532 3.256 -5.223 1.00 2.66 C ATOM 2251 CE2 PHE B 39 -16.389 0.916 -5.674 1.00 2.61 C ATOM 2252 CZ PHE B 39 -16.734 2.190 -6.072 1.00 2.87 C ATOM 0 H PHE B 39 -17.403 0.458 -2.048 1.00 0.29 H new ATOM 0 HA PHE B 39 -15.342 1.202 -0.169 1.00 0.31 H new ATOM 0 HB2 PHE B 39 -14.248 2.307 -2.071 1.00 0.53 H new ATOM 0 HB3 PHE B 39 -14.501 0.582 -2.246 1.00 0.53 H new ATOM 0 HD1 PHE B 39 -15.834 3.883 -3.311 1.00 1.78 H new ATOM 0 HD2 PHE B 39 -15.569 -0.286 -4.120 1.00 1.76 H new ATOM 0 HE1 PHE B 39 -16.799 4.255 -5.536 1.00 2.66 H new ATOM 0 HE2 PHE B 39 -16.546 0.080 -6.339 1.00 2.61 H new ATOM 0 HZ PHE B 39 -17.163 2.352 -7.050 1.00 2.87 H new ATOM 2262 N LEU B 40 -17.672 3.206 -1.118 1.00 0.33 N ATOM 2263 CA LEU B 40 -18.298 4.452 -0.768 1.00 0.37 C ATOM 2264 C LEU B 40 -18.276 4.621 0.749 1.00 0.40 C ATOM 2265 O LEU B 40 -17.908 5.673 1.275 1.00 0.43 O ATOM 2266 CB LEU B 40 -19.735 4.479 -1.269 1.00 0.43 C ATOM 2267 CG LEU B 40 -19.924 4.324 -2.781 1.00 0.50 C ATOM 2268 CD1 LEU B 40 -21.301 4.805 -3.205 1.00 1.07 C ATOM 2269 CD2 LEU B 40 -18.835 5.052 -3.541 1.00 0.46 C ATOM 0 H LEU B 40 -18.257 2.568 -1.657 1.00 0.33 H new ATOM 0 HA LEU B 40 -17.750 5.270 -1.235 1.00 0.37 H new ATOM 0 HB2 LEU B 40 -20.287 3.682 -0.771 1.00 0.43 H new ATOM 0 HB3 LEU B 40 -20.188 5.421 -0.961 1.00 0.43 H new ATOM 0 HG LEU B 40 -19.848 3.264 -3.024 1.00 0.50 H new ATOM 0 HD11 LEU B 40 -21.412 4.685 -4.283 1.00 1.07 H new ATOM 0 HD12 LEU B 40 -22.065 4.219 -2.694 1.00 1.07 H new ATOM 0 HD13 LEU B 40 -21.416 5.857 -2.943 1.00 1.07 H new ATOM 0 HD21 LEU B 40 -18.992 4.926 -4.612 1.00 0.46 H new ATOM 0 HD22 LEU B 40 -18.864 6.113 -3.292 1.00 0.46 H new ATOM 0 HD23 LEU B 40 -17.863 4.642 -3.266 1.00 0.46 H new ATOM 2281 N SER B 41 -18.666 3.561 1.438 1.00 0.42 N ATOM 2282 CA SER B 41 -18.632 3.522 2.888 1.00 0.52 C ATOM 2283 C SER B 41 -17.185 3.533 3.370 1.00 0.45 C ATOM 2284 O SER B 41 -16.823 4.306 4.257 1.00 0.47 O ATOM 2285 CB SER B 41 -19.358 2.272 3.395 1.00 0.67 C ATOM 2286 OG SER B 41 -19.461 2.268 4.808 1.00 1.40 O ATOM 0 H SER B 41 -19.015 2.705 1.007 1.00 0.42 H new ATOM 0 HA SER B 41 -19.140 4.401 3.284 1.00 0.52 H new ATOM 0 HB2 SER B 41 -20.355 2.226 2.956 1.00 0.67 H new ATOM 0 HB3 SER B 41 -18.824 1.381 3.066 1.00 0.67 H new ATOM 0 HG SER B 41 -19.930 1.458 5.100 1.00 1.40 H new ATOM 2292 N PHE B 42 -16.362 2.684 2.756 1.00 0.42 N ATOM 2293 CA PHE B 42 -14.944 2.588 3.090 1.00 0.46 C ATOM 2294 C PHE B 42 -14.272 3.943 3.010 1.00 0.29 C ATOM 2295 O PHE B 42 -13.775 4.451 3.996 1.00 0.42 O ATOM 2296 CB PHE B 42 -14.236 1.630 2.134 1.00 0.80 C ATOM 2297 CG PHE B 42 -12.801 1.372 2.508 1.00 1.89 C ATOM 2298 CD1 PHE B 42 -11.793 2.241 2.117 1.00 2.69 C ATOM 2299 CD2 PHE B 42 -12.466 0.268 3.268 1.00 2.77 C ATOM 2300 CE1 PHE B 42 -10.483 2.010 2.478 1.00 3.73 C ATOM 2301 CE2 PHE B 42 -11.159 0.033 3.635 1.00 3.80 C ATOM 2302 CZ PHE B 42 -10.166 0.904 3.241 1.00 4.13 C ATOM 0 H PHE B 42 -16.659 2.047 2.017 1.00 0.42 H new ATOM 0 HA PHE B 42 -14.872 2.213 4.111 1.00 0.46 H new ATOM 0 HB2 PHE B 42 -14.775 0.683 2.113 1.00 0.80 H new ATOM 0 HB3 PHE B 42 -14.274 2.040 1.125 1.00 0.80 H new ATOM 0 HD1 PHE B 42 -12.038 3.109 1.523 1.00 2.69 H new ATOM 0 HD2 PHE B 42 -13.239 -0.420 3.578 1.00 2.77 H new ATOM 0 HE1 PHE B 42 -9.707 2.692 2.165 1.00 3.73 H new ATOM 0 HE2 PHE B 42 -10.913 -0.833 4.231 1.00 3.80 H new ATOM 0 HZ PHE B 42 -9.141 0.721 3.529 1.00 4.13 H new ATOM 2312 N MET B 43 -14.263 4.517 1.831 1.00 0.26 N ATOM 2313 CA MET B 43 -13.573 5.771 1.593 1.00 0.29 C ATOM 2314 C MET B 43 -14.051 6.885 2.516 1.00 0.29 C ATOM 2315 O MET B 43 -13.256 7.707 2.951 1.00 0.37 O ATOM 2316 CB MET B 43 -13.756 6.205 0.156 1.00 0.38 C ATOM 2317 CG MET B 43 -12.741 5.631 -0.821 1.00 0.62 C ATOM 2318 SD MET B 43 -12.765 3.832 -0.902 1.00 1.22 S ATOM 2319 CE MET B 43 -11.801 3.556 -2.382 1.00 2.25 C ATOM 0 H MET B 43 -14.731 4.133 1.010 1.00 0.26 H new ATOM 0 HA MET B 43 -12.518 5.593 1.802 1.00 0.29 H new ATOM 0 HB2 MET B 43 -14.755 5.918 -0.171 1.00 0.38 H new ATOM 0 HB3 MET B 43 -13.707 7.293 0.111 1.00 0.38 H new ATOM 0 HG2 MET B 43 -12.936 6.035 -1.815 1.00 0.62 H new ATOM 0 HG3 MET B 43 -11.743 5.961 -0.533 1.00 0.62 H new ATOM 0 HE1 MET B 43 -11.542 2.500 -2.456 1.00 2.25 H new ATOM 0 HE2 MET B 43 -12.384 3.848 -3.256 1.00 2.25 H new ATOM 0 HE3 MET B 43 -10.889 4.151 -2.338 1.00 2.25 H new ATOM 2329 N ASN B 44 -15.340 6.930 2.814 1.00 0.29 N ATOM 2330 CA ASN B 44 -15.854 7.982 3.686 1.00 0.33 C ATOM 2331 C ASN B 44 -15.489 7.738 5.143 1.00 0.32 C ATOM 2332 O ASN B 44 -15.551 8.653 5.960 1.00 0.39 O ATOM 2333 CB ASN B 44 -17.364 8.125 3.583 1.00 0.42 C ATOM 2334 CG ASN B 44 -17.821 8.843 2.328 1.00 1.05 C ATOM 2335 OD1 ASN B 44 -17.187 8.767 1.285 1.00 1.53 O ATOM 2336 ND2 ASN B 44 -18.935 9.552 2.429 1.00 1.83 N ATOM 0 H ASN B 44 -16.038 6.268 2.476 1.00 0.29 H new ATOM 0 HA ASN B 44 -15.384 8.904 3.343 1.00 0.33 H new ATOM 0 HB2 ASN B 44 -17.817 7.134 3.610 1.00 0.42 H new ATOM 0 HB3 ASN B 44 -17.730 8.667 4.455 1.00 0.42 H new ATOM 0 HD21 ASN B 44 -19.292 10.059 1.619 1.00 1.83 H new ATOM 0 HD22 ASN B 44 -19.436 9.591 3.317 1.00 1.83 H new ATOM 2343 N THR B 45 -15.131 6.509 5.479 1.00 0.27 N ATOM 2344 CA THR B 45 -14.772 6.187 6.859 1.00 0.29 C ATOM 2345 C THR B 45 -13.268 6.042 7.027 1.00 0.28 C ATOM 2346 O THR B 45 -12.622 6.810 7.740 1.00 0.34 O ATOM 2347 CB THR B 45 -15.440 4.881 7.328 1.00 0.30 C ATOM 2348 OG1 THR B 45 -15.282 3.861 6.333 1.00 0.34 O ATOM 2349 CG2 THR B 45 -16.918 5.092 7.606 1.00 0.34 C ATOM 0 H THR B 45 -15.080 5.725 4.829 1.00 0.27 H new ATOM 0 HA THR B 45 -15.128 7.018 7.467 1.00 0.29 H new ATOM 0 HB THR B 45 -14.954 4.569 8.252 1.00 0.30 H new ATOM 0 HG1 THR B 45 -15.869 4.053 5.572 1.00 0.34 H new ATOM 0 HG21 THR B 45 -17.364 4.153 7.935 1.00 0.34 H new ATOM 0 HG22 THR B 45 -17.038 5.844 8.386 1.00 0.34 H new ATOM 0 HG23 THR B 45 -17.415 5.430 6.697 1.00 0.34 H new ATOM 2357 N GLU B 46 -12.726 5.068 6.329 1.00 0.23 N ATOM 2358 CA GLU B 46 -11.339 4.695 6.456 1.00 0.25 C ATOM 2359 C GLU B 46 -10.440 5.625 5.647 1.00 0.25 C ATOM 2360 O GLU B 46 -9.229 5.575 5.780 1.00 0.34 O ATOM 2361 CB GLU B 46 -11.149 3.245 6.006 1.00 0.29 C ATOM 2362 CG GLU B 46 -12.107 2.257 6.661 1.00 0.57 C ATOM 2363 CD GLU B 46 -11.879 2.094 8.152 1.00 1.17 C ATOM 2364 OE1 GLU B 46 -12.445 2.879 8.939 1.00 1.70 O ATOM 2365 OE2 GLU B 46 -11.150 1.160 8.550 1.00 1.68 O ATOM 0 H GLU B 46 -13.243 4.509 5.651 1.00 0.23 H new ATOM 0 HA GLU B 46 -11.054 4.786 7.504 1.00 0.25 H new ATOM 0 HB2 GLU B 46 -11.274 3.193 4.924 1.00 0.29 H new ATOM 0 HB3 GLU B 46 -10.125 2.940 6.224 1.00 0.29 H new ATOM 0 HG2 GLU B 46 -13.131 2.589 6.492 1.00 0.57 H new ATOM 0 HG3 GLU B 46 -12.003 1.286 6.177 1.00 0.57 H new ATOM 2372 N LEU B 47 -11.028 6.463 4.804 1.00 0.25 N ATOM 2373 CA LEU B 47 -10.249 7.426 4.032 1.00 0.26 C ATOM 2374 C LEU B 47 -10.879 8.801 4.063 1.00 0.28 C ATOM 2375 O LEU B 47 -10.718 9.593 3.133 1.00 0.30 O ATOM 2376 CB LEU B 47 -10.098 6.958 2.590 1.00 0.26 C ATOM 2377 CG LEU B 47 -9.250 5.708 2.419 1.00 0.27 C ATOM 2378 CD1 LEU B 47 -9.251 5.262 0.971 1.00 0.32 C ATOM 2379 CD2 LEU B 47 -7.837 5.977 2.913 1.00 0.28 C ATOM 0 H LEU B 47 -12.034 6.497 4.637 1.00 0.25 H new ATOM 0 HA LEU B 47 -9.263 7.493 4.492 1.00 0.26 H new ATOM 0 HB2 LEU B 47 -11.089 6.769 2.177 1.00 0.26 H new ATOM 0 HB3 LEU B 47 -9.657 7.764 2.004 1.00 0.26 H new ATOM 0 HG LEU B 47 -9.675 4.899 3.014 1.00 0.27 H new ATOM 0 HD11 LEU B 47 -8.639 4.366 0.866 1.00 0.32 H new ATOM 0 HD12 LEU B 47 -10.272 5.043 0.658 1.00 0.32 H new ATOM 0 HD13 LEU B 47 -8.842 6.056 0.346 1.00 0.32 H new ATOM 0 HD21 LEU B 47 -7.231 5.079 2.789 1.00 0.28 H new ATOM 0 HD22 LEU B 47 -7.399 6.792 2.337 1.00 0.28 H new ATOM 0 HD23 LEU B 47 -7.866 6.252 3.967 1.00 0.28 H new ATOM 2391 N ALA B 48 -11.609 9.081 5.128 1.00 0.32 N ATOM 2392 CA ALA B 48 -12.266 10.362 5.287 1.00 0.37 C ATOM 2393 C ALA B 48 -11.267 11.521 5.299 1.00 0.39 C ATOM 2394 O ALA B 48 -11.637 12.661 5.017 1.00 0.44 O ATOM 2395 CB ALA B 48 -13.104 10.349 6.546 1.00 0.41 C ATOM 0 H ALA B 48 -11.761 8.432 5.900 1.00 0.32 H new ATOM 0 HA ALA B 48 -12.916 10.522 4.427 1.00 0.37 H new ATOM 0 HB1 ALA B 48 -13.598 11.314 6.664 1.00 0.41 H new ATOM 0 HB2 ALA B 48 -13.856 9.563 6.475 1.00 0.41 H new ATOM 0 HB3 ALA B 48 -12.463 10.161 7.408 1.00 0.41 H new ATOM 2401 N ALA B 49 -10.004 11.228 5.607 1.00 0.38 N ATOM 2402 CA ALA B 49 -8.950 12.236 5.542 1.00 0.41 C ATOM 2403 C ALA B 49 -8.814 12.760 4.120 1.00 0.41 C ATOM 2404 O ALA B 49 -8.615 13.953 3.892 1.00 0.47 O ATOM 2405 CB ALA B 49 -7.626 11.653 6.003 1.00 0.44 C ATOM 0 H ALA B 49 -9.688 10.304 5.903 1.00 0.38 H new ATOM 0 HA ALA B 49 -9.220 13.059 6.203 1.00 0.41 H new ATOM 0 HB1 ALA B 49 -6.852 12.419 5.948 1.00 0.44 H new ATOM 0 HB2 ALA B 49 -7.720 11.306 7.032 1.00 0.44 H new ATOM 0 HB3 ALA B 49 -7.354 10.815 5.361 1.00 0.44 H new ATOM 2411 N PHE B 50 -8.922 11.848 3.173 1.00 0.36 N ATOM 2412 CA PHE B 50 -8.832 12.179 1.763 1.00 0.37 C ATOM 2413 C PHE B 50 -10.193 12.602 1.228 1.00 0.38 C ATOM 2414 O PHE B 50 -10.349 13.681 0.653 1.00 0.44 O ATOM 2415 CB PHE B 50 -8.339 10.959 0.989 1.00 0.35 C ATOM 2416 CG PHE B 50 -8.085 11.223 -0.470 1.00 0.70 C ATOM 2417 CD1 PHE B 50 -6.931 11.874 -0.877 1.00 1.33 C ATOM 2418 CD2 PHE B 50 -8.996 10.815 -1.432 1.00 1.63 C ATOM 2419 CE1 PHE B 50 -6.692 12.116 -2.217 1.00 1.67 C ATOM 2420 CE2 PHE B 50 -8.762 11.055 -2.772 1.00 2.10 C ATOM 2421 CZ PHE B 50 -7.608 11.705 -3.165 1.00 1.80 C ATOM 0 H PHE B 50 -9.075 10.857 3.359 1.00 0.36 H new ATOM 0 HA PHE B 50 -8.133 13.006 1.638 1.00 0.37 H new ATOM 0 HB2 PHE B 50 -7.419 10.598 1.448 1.00 0.35 H new ATOM 0 HB3 PHE B 50 -9.076 10.161 1.081 1.00 0.35 H new ATOM 0 HD1 PHE B 50 -6.211 12.196 -0.139 1.00 1.33 H new ATOM 0 HD2 PHE B 50 -9.898 10.304 -1.130 1.00 1.63 H new ATOM 0 HE1 PHE B 50 -5.790 12.626 -2.522 1.00 1.67 H new ATOM 0 HE2 PHE B 50 -9.481 10.735 -3.512 1.00 2.10 H new ATOM 0 HZ PHE B 50 -7.423 11.891 -4.212 1.00 1.80 H new ATOM 2431 N THR B 51 -11.170 11.739 1.447 1.00 0.36 N ATOM 2432 CA THR B 51 -12.501 11.891 0.893 1.00 0.40 C ATOM 2433 C THR B 51 -13.168 13.190 1.338 1.00 0.45 C ATOM 2434 O THR B 51 -13.526 14.028 0.510 1.00 0.53 O ATOM 2435 CB THR B 51 -13.369 10.701 1.316 1.00 0.39 C ATOM 2436 OG1 THR B 51 -12.777 9.481 0.852 1.00 0.39 O ATOM 2437 CG2 THR B 51 -14.783 10.829 0.778 1.00 0.49 C ATOM 0 H THR B 51 -11.058 10.904 2.022 1.00 0.36 H new ATOM 0 HA THR B 51 -12.404 11.926 -0.192 1.00 0.40 H new ATOM 0 HB THR B 51 -13.424 10.690 2.405 1.00 0.39 H new ATOM 0 HG1 THR B 51 -12.778 8.821 1.576 1.00 0.39 H new ATOM 0 HG21 THR B 51 -15.373 9.969 1.096 1.00 0.49 H new ATOM 0 HG22 THR B 51 -15.237 11.742 1.162 1.00 0.49 H new ATOM 0 HG23 THR B 51 -14.756 10.868 -0.311 1.00 0.49 H new ATOM 2445 N LYS B 52 -13.288 13.374 2.649 1.00 0.47 N ATOM 2446 CA LYS B 52 -14.041 14.496 3.197 1.00 0.60 C ATOM 2447 C LYS B 52 -13.302 15.808 2.988 1.00 0.69 C ATOM 2448 O LYS B 52 -13.802 16.878 3.333 1.00 0.84 O ATOM 2449 CB LYS B 52 -14.316 14.286 4.685 1.00 0.70 C ATOM 2450 CG LYS B 52 -15.094 13.014 4.990 1.00 0.78 C ATOM 2451 CD LYS B 52 -16.366 12.923 4.161 1.00 1.07 C ATOM 2452 CE LYS B 52 -17.210 11.724 4.558 1.00 1.24 C ATOM 2453 NZ LYS B 52 -17.837 11.904 5.895 1.00 1.82 N ATOM 0 H LYS B 52 -12.874 12.761 3.351 1.00 0.47 H new ATOM 0 HA LYS B 52 -14.991 14.547 2.665 1.00 0.60 H new ATOM 0 HB2 LYS B 52 -13.367 14.258 5.220 1.00 0.70 H new ATOM 0 HB3 LYS B 52 -14.872 15.142 5.067 1.00 0.70 H new ATOM 0 HG2 LYS B 52 -14.466 12.146 4.790 1.00 0.78 H new ATOM 0 HG3 LYS B 52 -15.347 12.987 6.050 1.00 0.78 H new ATOM 0 HD2 LYS B 52 -16.948 13.836 4.287 1.00 1.07 H new ATOM 0 HD3 LYS B 52 -16.108 12.853 3.104 1.00 1.07 H new ATOM 0 HE2 LYS B 52 -17.988 11.564 3.811 1.00 1.24 H new ATOM 0 HE3 LYS B 52 -16.588 10.829 4.567 1.00 1.24 H new ATOM 0 HZ1 LYS B 52 -18.546 11.159 6.049 1.00 1.82 H new ATOM 0 HZ2 LYS B 52 -17.106 11.844 6.632 1.00 1.82 H new ATOM 0 HZ3 LYS B 52 -18.298 12.835 5.940 1.00 1.82 H new ATOM 2467 N ASN B 53 -12.113 15.720 2.419 1.00 0.68 N ATOM 2468 CA ASN B 53 -11.316 16.895 2.141 1.00 0.85 C ATOM 2469 C ASN B 53 -11.593 17.387 0.721 1.00 1.00 C ATOM 2470 O ASN B 53 -11.042 18.393 0.272 1.00 1.22 O ATOM 2471 CB ASN B 53 -9.835 16.569 2.335 1.00 0.92 C ATOM 2472 CG ASN B 53 -8.937 17.795 2.291 1.00 1.40 C ATOM 2473 OD1 ASN B 53 -8.762 18.487 3.295 1.00 1.93 O ATOM 2474 ND2 ASN B 53 -8.335 18.056 1.141 1.00 2.05 N ATOM 0 H ASN B 53 -11.679 14.840 2.140 1.00 0.68 H new ATOM 0 HA ASN B 53 -11.584 17.693 2.833 1.00 0.85 H new ATOM 0 HB2 ASN B 53 -9.704 16.066 3.293 1.00 0.92 H new ATOM 0 HB3 ASN B 53 -9.520 15.869 1.561 1.00 0.92 H new ATOM 0 HD21 ASN B 53 -7.702 18.852 1.066 1.00 2.05 H new ATOM 0 HD22 ASN B 53 -8.504 17.461 0.330 1.00 2.05 H new ATOM 2481 N GLN B 54 -12.463 16.671 0.018 1.00 1.01 N ATOM 2482 CA GLN B 54 -12.823 17.028 -1.347 1.00 1.29 C ATOM 2483 C GLN B 54 -14.340 17.020 -1.533 1.00 1.33 C ATOM 2484 O GLN B 54 -14.969 18.075 -1.581 1.00 2.05 O ATOM 2485 CB GLN B 54 -12.151 16.071 -2.337 1.00 1.74 C ATOM 2486 CG GLN B 54 -10.632 16.180 -2.338 1.00 2.17 C ATOM 2487 CD GLN B 54 -9.957 15.189 -3.267 1.00 2.39 C ATOM 2488 OE1 GLN B 54 -8.898 15.473 -3.828 1.00 2.90 O ATOM 2489 NE2 GLN B 54 -10.548 14.016 -3.421 1.00 2.71 N ATOM 0 H GLN B 54 -12.933 15.838 0.373 1.00 1.01 H new ATOM 0 HA GLN B 54 -12.468 18.040 -1.543 1.00 1.29 H new ATOM 0 HB2 GLN B 54 -12.435 15.047 -2.093 1.00 1.74 H new ATOM 0 HB3 GLN B 54 -12.524 16.275 -3.341 1.00 1.74 H new ATOM 0 HG2 GLN B 54 -10.348 17.191 -2.629 1.00 2.17 H new ATOM 0 HG3 GLN B 54 -10.263 16.025 -1.324 1.00 2.17 H new ATOM 0 HE21 GLN B 54 -11.425 13.820 -2.939 1.00 2.71 H new ATOM 0 HE22 GLN B 54 -10.127 13.308 -4.022 1.00 2.71 H new ATOM 2498 N LYS B 55 -14.922 15.828 -1.620 1.00 1.43 N ATOM 2499 CA LYS B 55 -16.364 15.680 -1.810 1.00 1.87 C ATOM 2500 C LYS B 55 -16.860 14.462 -1.042 1.00 1.59 C ATOM 2501 O LYS B 55 -16.203 14.021 -0.102 1.00 2.27 O ATOM 2502 CB LYS B 55 -16.714 15.542 -3.299 1.00 2.84 C ATOM 2503 CG LYS B 55 -16.424 16.787 -4.120 1.00 3.60 C ATOM 2504 CD LYS B 55 -16.923 16.642 -5.546 1.00 4.28 C ATOM 2505 CE LYS B 55 -16.625 17.885 -6.369 1.00 5.02 C ATOM 2506 NZ LYS B 55 -17.220 19.106 -5.766 1.00 5.58 N ATOM 0 H LYS B 55 -14.415 14.945 -1.562 1.00 1.43 H new ATOM 0 HA LYS B 55 -16.855 16.575 -1.429 1.00 1.87 H new ATOM 0 HB2 LYS B 55 -16.155 14.705 -3.717 1.00 2.84 H new ATOM 0 HB3 LYS B 55 -17.772 15.296 -3.392 1.00 2.84 H new ATOM 0 HG2 LYS B 55 -16.898 17.650 -3.653 1.00 3.60 H new ATOM 0 HG3 LYS B 55 -15.351 16.978 -4.127 1.00 3.60 H new ATOM 0 HD2 LYS B 55 -16.453 15.775 -6.011 1.00 4.28 H new ATOM 0 HD3 LYS B 55 -17.997 16.457 -5.540 1.00 4.28 H new ATOM 0 HE2 LYS B 55 -15.546 18.012 -6.456 1.00 5.02 H new ATOM 0 HE3 LYS B 55 -17.013 17.753 -7.379 1.00 5.02 H new ATOM 0 HZ1 LYS B 55 -17.203 19.880 -6.461 1.00 5.58 H new ATOM 0 HZ2 LYS B 55 -18.203 18.912 -5.488 1.00 5.58 H new ATOM 0 HZ3 LYS B 55 -16.671 19.382 -4.927 1.00 5.58 H new ATOM 2520 N ASP B 56 -18.012 13.920 -1.415 1.00 1.36 N ATOM 2521 CA ASP B 56 -18.485 12.702 -0.775 1.00 1.50 C ATOM 2522 C ASP B 56 -18.574 11.527 -1.767 1.00 1.27 C ATOM 2523 O ASP B 56 -17.668 10.699 -1.787 1.00 1.44 O ATOM 2524 CB ASP B 56 -19.799 12.931 -0.012 1.00 2.13 C ATOM 2525 CG ASP B 56 -19.583 13.510 1.367 1.00 2.84 C ATOM 2526 OD1 ASP B 56 -19.468 14.748 1.487 1.00 3.44 O ATOM 2527 OD2 ASP B 56 -19.558 12.736 2.345 1.00 3.39 O ATOM 0 H ASP B 56 -18.623 14.295 -2.141 1.00 1.36 H new ATOM 0 HA ASP B 56 -17.740 12.419 -0.031 1.00 1.50 H new ATOM 0 HB2 ASP B 56 -20.435 13.603 -0.588 1.00 2.13 H new ATOM 0 HB3 ASP B 56 -20.332 11.984 0.076 1.00 2.13 H new ATOM 2532 N PRO B 57 -19.623 11.401 -2.621 1.00 1.06 N ATOM 2533 CA PRO B 57 -19.746 10.248 -3.492 1.00 1.02 C ATOM 2534 C PRO B 57 -19.096 10.409 -4.864 1.00 0.76 C ATOM 2535 O PRO B 57 -18.481 9.470 -5.372 1.00 0.70 O ATOM 2536 CB PRO B 57 -21.255 10.094 -3.626 1.00 1.20 C ATOM 2537 CG PRO B 57 -21.778 11.490 -3.569 1.00 1.20 C ATOM 2538 CD PRO B 57 -20.773 12.301 -2.782 1.00 1.14 C ATOM 0 HA PRO B 57 -19.227 9.385 -3.075 1.00 1.02 H new ATOM 0 HB2 PRO B 57 -21.523 9.608 -4.564 1.00 1.20 H new ATOM 0 HB3 PRO B 57 -21.665 9.483 -2.822 1.00 1.20 H new ATOM 0 HG2 PRO B 57 -21.903 11.897 -4.572 1.00 1.20 H new ATOM 0 HG3 PRO B 57 -22.757 11.517 -3.090 1.00 1.20 H new ATOM 0 HD2 PRO B 57 -20.494 13.211 -3.313 1.00 1.14 H new ATOM 0 HD3 PRO B 57 -21.177 12.606 -1.817 1.00 1.14 H new ATOM 2546 N GLY B 58 -19.222 11.590 -5.458 1.00 0.67 N ATOM 2547 CA GLY B 58 -18.729 11.804 -6.806 1.00 0.56 C ATOM 2548 C GLY B 58 -17.242 11.587 -6.922 1.00 0.49 C ATOM 2549 O GLY B 58 -16.747 11.175 -7.965 1.00 0.48 O ATOM 0 H GLY B 58 -19.658 12.406 -5.029 1.00 0.67 H new ATOM 0 HA2 GLY B 58 -19.245 11.129 -7.489 1.00 0.56 H new ATOM 0 HA3 GLY B 58 -18.970 12.820 -7.120 1.00 0.56 H new ATOM 2553 N VAL B 59 -16.523 11.849 -5.846 1.00 0.52 N ATOM 2554 CA VAL B 59 -15.089 11.651 -5.848 1.00 0.52 C ATOM 2555 C VAL B 59 -14.746 10.173 -5.827 1.00 0.49 C ATOM 2556 O VAL B 59 -13.868 9.721 -6.557 1.00 0.49 O ATOM 2557 CB VAL B 59 -14.401 12.367 -4.668 1.00 0.61 C ATOM 2558 CG1 VAL B 59 -15.059 11.996 -3.350 1.00 0.65 C ATOM 2559 CG2 VAL B 59 -12.917 12.037 -4.632 1.00 0.66 C ATOM 0 H VAL B 59 -16.906 12.197 -4.967 1.00 0.52 H new ATOM 0 HA VAL B 59 -14.712 12.092 -6.771 1.00 0.52 H new ATOM 0 HB VAL B 59 -14.513 13.441 -4.814 1.00 0.61 H new ATOM 0 HG11 VAL B 59 -14.556 12.514 -2.534 1.00 0.65 H new ATOM 0 HG12 VAL B 59 -16.109 12.288 -3.373 1.00 0.65 H new ATOM 0 HG13 VAL B 59 -14.985 10.919 -3.197 1.00 0.65 H new ATOM 0 HG21 VAL B 59 -12.450 12.552 -3.792 1.00 0.66 H new ATOM 0 HG22 VAL B 59 -12.786 10.961 -4.516 1.00 0.66 H new ATOM 0 HG23 VAL B 59 -12.450 12.361 -5.562 1.00 0.66 H new ATOM 2569 N LEU B 60 -15.465 9.419 -5.015 1.00 0.48 N ATOM 2570 CA LEU B 60 -15.245 7.986 -4.922 1.00 0.46 C ATOM 2571 C LEU B 60 -15.637 7.339 -6.237 1.00 0.43 C ATOM 2572 O LEU B 60 -15.201 6.240 -6.563 1.00 0.41 O ATOM 2573 CB LEU B 60 -16.053 7.384 -3.776 1.00 0.48 C ATOM 2574 CG LEU B 60 -16.022 8.190 -2.479 1.00 0.52 C ATOM 2575 CD1 LEU B 60 -16.707 7.428 -1.361 1.00 0.51 C ATOM 2576 CD2 LEU B 60 -14.594 8.543 -2.103 1.00 0.52 C ATOM 0 H LEU B 60 -16.206 9.774 -4.411 1.00 0.48 H new ATOM 0 HA LEU B 60 -14.190 7.800 -4.720 1.00 0.46 H new ATOM 0 HB2 LEU B 60 -17.089 7.278 -4.097 1.00 0.48 H new ATOM 0 HB3 LEU B 60 -15.678 6.381 -3.573 1.00 0.48 H new ATOM 0 HG LEU B 60 -16.568 9.120 -2.637 1.00 0.52 H new ATOM 0 HD11 LEU B 60 -16.675 8.018 -0.445 1.00 0.51 H new ATOM 0 HD12 LEU B 60 -17.745 7.237 -1.633 1.00 0.51 H new ATOM 0 HD13 LEU B 60 -16.194 6.480 -1.200 1.00 0.51 H new ATOM 0 HD21 LEU B 60 -14.593 9.117 -1.176 1.00 0.52 H new ATOM 0 HD22 LEU B 60 -14.018 7.628 -1.964 1.00 0.52 H new ATOM 0 HD23 LEU B 60 -14.145 9.137 -2.899 1.00 0.52 H new ATOM 2588 N ASP B 61 -16.456 8.060 -6.986 1.00 0.46 N ATOM 2589 CA ASP B 61 -16.868 7.641 -8.318 1.00 0.46 C ATOM 2590 C ASP B 61 -15.699 7.754 -9.282 1.00 0.47 C ATOM 2591 O ASP B 61 -15.504 6.911 -10.160 1.00 0.51 O ATOM 2592 CB ASP B 61 -18.026 8.510 -8.802 1.00 0.47 C ATOM 2593 CG ASP B 61 -18.701 7.964 -10.041 1.00 0.48 C ATOM 2594 OD1 ASP B 61 -19.560 7.070 -9.904 1.00 1.19 O ATOM 2595 OD2 ASP B 61 -18.396 8.442 -11.152 1.00 1.22 O ATOM 0 H ASP B 61 -16.854 8.951 -6.689 1.00 0.46 H new ATOM 0 HA ASP B 61 -17.196 6.602 -8.277 1.00 0.46 H new ATOM 0 HB2 ASP B 61 -18.763 8.600 -8.004 1.00 0.47 H new ATOM 0 HB3 ASP B 61 -17.657 9.514 -9.010 1.00 0.47 H new ATOM 2600 N ARG B 62 -14.916 8.803 -9.093 1.00 0.47 N ATOM 2601 CA ARG B 62 -13.731 9.033 -9.898 1.00 0.51 C ATOM 2602 C ARG B 62 -12.656 8.027 -9.518 1.00 0.50 C ATOM 2603 O ARG B 62 -11.934 7.512 -10.374 1.00 0.56 O ATOM 2604 CB ARG B 62 -13.221 10.455 -9.680 1.00 0.55 C ATOM 2605 CG ARG B 62 -14.325 11.496 -9.719 1.00 0.55 C ATOM 2606 CD ARG B 62 -13.782 12.894 -9.520 1.00 0.62 C ATOM 2607 NE ARG B 62 -12.850 13.275 -10.581 1.00 1.45 N ATOM 2608 CZ ARG B 62 -12.159 14.413 -10.597 1.00 1.97 C ATOM 2609 NH1 ARG B 62 -12.268 15.278 -9.596 1.00 1.66 N ATOM 2610 NH2 ARG B 62 -11.354 14.684 -11.616 1.00 3.02 N ATOM 0 H ARG B 62 -15.083 9.514 -8.381 1.00 0.47 H new ATOM 0 HA ARG B 62 -13.981 8.909 -10.952 1.00 0.51 H new ATOM 0 HB2 ARG B 62 -12.713 10.509 -8.717 1.00 0.55 H new ATOM 0 HB3 ARG B 62 -12.481 10.690 -10.445 1.00 0.55 H new ATOM 0 HG2 ARG B 62 -14.845 11.440 -10.676 1.00 0.55 H new ATOM 0 HG3 ARG B 62 -15.059 11.277 -8.944 1.00 0.55 H new ATOM 0 HD2 ARG B 62 -14.609 13.604 -9.491 1.00 0.62 H new ATOM 0 HD3 ARG B 62 -13.278 12.953 -8.556 1.00 0.62 H new ATOM 0 HE ARG B 62 -12.721 12.627 -11.358 1.00 1.45 H new ATOM 0 HH11 ARG B 62 -12.884 15.072 -8.809 1.00 1.66 H new ATOM 0 HH12 ARG B 62 -11.736 16.148 -9.614 1.00 1.66 H new ATOM 0 HH21 ARG B 62 -11.265 14.021 -12.386 1.00 3.02 H new ATOM 0 HH22 ARG B 62 -10.824 15.555 -11.630 1.00 3.02 H new ATOM 2624 N MET B 63 -12.564 7.748 -8.220 1.00 0.45 N ATOM 2625 CA MET B 63 -11.644 6.734 -7.719 1.00 0.44 C ATOM 2626 C MET B 63 -12.029 5.392 -8.300 1.00 0.41 C ATOM 2627 O MET B 63 -11.199 4.694 -8.873 1.00 0.42 O ATOM 2628 CB MET B 63 -11.687 6.642 -6.193 1.00 0.43 C ATOM 2629 CG MET B 63 -11.660 7.988 -5.495 1.00 0.49 C ATOM 2630 SD MET B 63 -10.136 8.912 -5.785 1.00 0.63 S ATOM 2631 CE MET B 63 -8.928 7.864 -4.981 1.00 1.54 C ATOM 0 H MET B 63 -13.116 8.211 -7.497 1.00 0.45 H new ATOM 0 HA MET B 63 -10.633 7.013 -8.018 1.00 0.44 H new ATOM 0 HB2 MET B 63 -12.590 6.108 -5.896 1.00 0.43 H new ATOM 0 HB3 MET B 63 -10.839 6.049 -5.851 1.00 0.43 H new ATOM 0 HG2 MET B 63 -12.508 8.583 -5.835 1.00 0.49 H new ATOM 0 HG3 MET B 63 -11.786 7.836 -4.423 1.00 0.49 H new ATOM 0 HE1 MET B 63 -8.006 8.424 -4.826 1.00 1.54 H new ATOM 0 HE2 MET B 63 -9.317 7.533 -4.018 1.00 1.54 H new ATOM 0 HE3 MET B 63 -8.724 6.996 -5.608 1.00 1.54 H new ATOM 2641 N MET B 64 -13.311 5.065 -8.154 1.00 0.41 N ATOM 2642 CA MET B 64 -13.879 3.823 -8.661 1.00 0.42 C ATOM 2643 C MET B 64 -13.384 3.513 -10.050 1.00 0.44 C ATOM 2644 O MET B 64 -12.723 2.517 -10.268 1.00 0.41 O ATOM 2645 CB MET B 64 -15.402 3.916 -8.701 1.00 0.55 C ATOM 2646 CG MET B 64 -16.070 2.682 -9.285 1.00 0.65 C ATOM 2647 SD MET B 64 -17.785 2.984 -9.742 1.00 1.87 S ATOM 2648 CE MET B 64 -18.257 1.368 -10.346 1.00 2.41 C ATOM 0 H MET B 64 -13.988 5.660 -7.677 1.00 0.41 H new ATOM 0 HA MET B 64 -13.565 3.027 -7.986 1.00 0.42 H new ATOM 0 HB2 MET B 64 -15.775 4.077 -7.689 1.00 0.55 H new ATOM 0 HB3 MET B 64 -15.689 4.788 -9.289 1.00 0.55 H new ATOM 0 HG2 MET B 64 -15.515 2.353 -10.163 1.00 0.65 H new ATOM 0 HG3 MET B 64 -16.028 1.871 -8.558 1.00 0.65 H new ATOM 0 HE1 MET B 64 -19.339 1.327 -10.468 1.00 2.41 H new ATOM 0 HE2 MET B 64 -17.777 1.184 -11.307 1.00 2.41 H new ATOM 0 HE3 MET B 64 -17.943 0.607 -9.632 1.00 2.41 H new ATOM 2658 N LYS B 65 -13.674 4.394 -10.972 1.00 0.52 N ATOM 2659 CA LYS B 65 -13.457 4.105 -12.376 1.00 0.56 C ATOM 2660 C LYS B 65 -11.983 4.169 -12.760 1.00 0.54 C ATOM 2661 O LYS B 65 -11.575 3.595 -13.771 1.00 0.60 O ATOM 2662 CB LYS B 65 -14.311 5.036 -13.218 1.00 0.67 C ATOM 2663 CG LYS B 65 -15.792 4.808 -12.978 1.00 0.79 C ATOM 2664 CD LYS B 65 -16.238 3.469 -13.549 1.00 0.86 C ATOM 2665 CE LYS B 65 -17.745 3.291 -13.474 1.00 1.57 C ATOM 2666 NZ LYS B 65 -18.465 4.254 -14.348 1.00 2.49 N ATOM 0 H LYS B 65 -14.061 5.318 -10.782 1.00 0.52 H new ATOM 0 HA LYS B 65 -13.763 3.077 -12.571 1.00 0.56 H new ATOM 0 HB2 LYS B 65 -14.060 6.071 -12.985 1.00 0.67 H new ATOM 0 HB3 LYS B 65 -14.085 4.883 -14.273 1.00 0.67 H new ATOM 0 HG2 LYS B 65 -16.000 4.838 -11.908 1.00 0.79 H new ATOM 0 HG3 LYS B 65 -16.366 5.613 -13.437 1.00 0.79 H new ATOM 0 HD2 LYS B 65 -15.915 3.392 -14.587 1.00 0.86 H new ATOM 0 HD3 LYS B 65 -15.750 2.662 -13.003 1.00 0.86 H new ATOM 0 HE2 LYS B 65 -18.005 2.273 -13.765 1.00 1.57 H new ATOM 0 HE3 LYS B 65 -18.074 3.421 -12.443 1.00 1.57 H new ATOM 0 HZ1 LYS B 65 -19.451 3.944 -14.468 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -18.449 5.198 -13.912 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 -18.000 4.294 -15.277 1.00 2.49 H new ATOM 2680 N LYS B 66 -11.186 4.866 -11.964 1.00 0.50 N ATOM 2681 CA LYS B 66 -9.742 4.856 -12.151 1.00 0.52 C ATOM 2682 C LYS B 66 -9.170 3.513 -11.720 1.00 0.48 C ATOM 2683 O LYS B 66 -8.297 2.950 -12.377 1.00 0.54 O ATOM 2684 CB LYS B 66 -9.077 5.969 -11.338 1.00 0.55 C ATOM 2685 CG LYS B 66 -7.555 5.926 -11.394 1.00 0.91 C ATOM 2686 CD LYS B 66 -6.916 7.078 -10.628 1.00 0.96 C ATOM 2687 CE LYS B 66 -7.266 7.052 -9.148 1.00 0.73 C ATOM 2688 NZ LYS B 66 -6.604 8.160 -8.410 1.00 1.47 N ATOM 0 H LYS B 66 -11.511 5.442 -11.188 1.00 0.50 H new ATOM 0 HA LYS B 66 -9.539 5.022 -13.209 1.00 0.52 H new ATOM 0 HB2 LYS B 66 -9.421 6.935 -11.708 1.00 0.55 H new ATOM 0 HB3 LYS B 66 -9.398 5.893 -10.299 1.00 0.55 H new ATOM 0 HG2 LYS B 66 -7.205 4.980 -10.982 1.00 0.91 H new ATOM 0 HG3 LYS B 66 -7.231 5.960 -12.434 1.00 0.91 H new ATOM 0 HD2 LYS B 66 -5.833 7.032 -10.744 1.00 0.96 H new ATOM 0 HD3 LYS B 66 -7.243 8.024 -11.060 1.00 0.96 H new ATOM 0 HE2 LYS B 66 -8.347 7.128 -9.028 1.00 0.73 H new ATOM 0 HE3 LYS B 66 -6.964 6.097 -8.719 1.00 0.73 H new ATOM 0 HZ1 LYS B 66 -6.865 8.112 -7.404 1.00 1.47 H new ATOM 0 HZ2 LYS B 66 -5.572 8.072 -8.505 1.00 1.47 H new ATOM 0 HZ3 LYS B 66 -6.912 9.072 -8.804 1.00 1.47 H new ATOM 2702 N LEU B 67 -9.692 3.000 -10.618 1.00 0.41 N ATOM 2703 CA LEU B 67 -9.136 1.817 -9.986 1.00 0.39 C ATOM 2704 C LEU B 67 -9.771 0.540 -10.512 1.00 0.40 C ATOM 2705 O LEU B 67 -9.078 -0.460 -10.662 1.00 0.46 O ATOM 2706 CB LEU B 67 -9.344 1.894 -8.493 1.00 0.34 C ATOM 2707 CG LEU B 67 -8.908 3.207 -7.842 1.00 0.33 C ATOM 2708 CD1 LEU B 67 -9.407 3.274 -6.412 1.00 0.30 C ATOM 2709 CD2 LEU B 67 -7.396 3.363 -7.897 1.00 0.37 C ATOM 0 H LEU B 67 -10.506 3.388 -10.141 1.00 0.41 H new ATOM 0 HA LEU B 67 -8.072 1.788 -10.222 1.00 0.39 H new ATOM 0 HB2 LEU B 67 -10.401 1.735 -8.281 1.00 0.34 H new ATOM 0 HB3 LEU B 67 -8.798 1.075 -8.024 1.00 0.34 H new ATOM 0 HG LEU B 67 -9.349 4.033 -8.400 1.00 0.33 H new ATOM 0 HD11 LEU B 67 -9.090 4.214 -5.960 1.00 0.30 H new ATOM 0 HD12 LEU B 67 -10.495 3.216 -6.403 1.00 0.30 H new ATOM 0 HD13 LEU B 67 -8.995 2.440 -5.843 1.00 0.30 H new ATOM 0 HD21 LEU B 67 -7.110 4.304 -7.428 1.00 0.37 H new ATOM 0 HD22 LEU B 67 -6.925 2.535 -7.366 1.00 0.37 H new ATOM 0 HD23 LEU B 67 -7.068 3.361 -8.936 1.00 0.37 H new ATOM 2721 N ASP B 68 -11.090 0.586 -10.755 1.00 0.39 N ATOM 2722 CA ASP B 68 -11.865 -0.546 -11.291 1.00 0.42 C ATOM 2723 C ASP B 68 -11.294 -0.968 -12.630 1.00 0.52 C ATOM 2724 O ASP B 68 -11.802 -0.630 -13.703 1.00 0.57 O ATOM 2725 CB ASP B 68 -13.346 -0.152 -11.433 1.00 0.43 C ATOM 2726 CG ASP B 68 -14.206 -1.202 -12.128 1.00 0.46 C ATOM 2727 OD1 ASP B 68 -14.239 -2.370 -11.688 1.00 1.23 O ATOM 2728 OD2 ASP B 68 -14.878 -0.847 -13.123 1.00 1.13 O ATOM 0 H ASP B 68 -11.655 1.418 -10.584 1.00 0.39 H new ATOM 0 HA ASP B 68 -11.798 -1.387 -10.601 1.00 0.42 H new ATOM 0 HB2 ASP B 68 -13.756 0.040 -10.442 1.00 0.43 H new ATOM 0 HB3 ASP B 68 -13.410 0.782 -11.991 1.00 0.43 H new ATOM 2733 N THR B 69 -10.204 -1.678 -12.539 1.00 0.58 N ATOM 2734 CA THR B 69 -9.446 -2.087 -13.691 1.00 0.74 C ATOM 2735 C THR B 69 -9.965 -3.416 -14.215 1.00 0.83 C ATOM 2736 O THR B 69 -9.776 -3.768 -15.381 1.00 0.99 O ATOM 2737 CB THR B 69 -7.953 -2.162 -13.326 1.00 0.79 C ATOM 2738 OG1 THR B 69 -7.137 -1.998 -14.491 1.00 0.91 O ATOM 2739 CG2 THR B 69 -7.616 -3.484 -12.657 1.00 0.82 C ATOM 0 H THR B 69 -9.811 -1.993 -11.652 1.00 0.58 H new ATOM 0 HA THR B 69 -9.563 -1.353 -14.488 1.00 0.74 H new ATOM 0 HB THR B 69 -7.748 -1.352 -12.626 1.00 0.79 H new ATOM 0 HG1 THR B 69 -6.192 -2.047 -14.238 1.00 0.91 H new ATOM 0 HG21 THR B 69 -6.554 -3.507 -12.411 1.00 0.82 H new ATOM 0 HG22 THR B 69 -8.202 -3.590 -11.744 1.00 0.82 H new ATOM 0 HG23 THR B 69 -7.849 -4.305 -13.335 1.00 0.82 H new ATOM 2747 N ASN B 70 -10.646 -4.133 -13.341 1.00 0.80 N ATOM 2748 CA ASN B 70 -11.313 -5.366 -13.701 1.00 0.94 C ATOM 2749 C ASN B 70 -12.618 -5.046 -14.407 1.00 0.86 C ATOM 2750 O ASN B 70 -13.239 -5.900 -15.043 1.00 0.98 O ATOM 2751 CB ASN B 70 -11.575 -6.173 -12.437 1.00 1.00 C ATOM 2752 CG ASN B 70 -12.087 -7.575 -12.711 1.00 1.25 C ATOM 2753 OD1 ASN B 70 -11.796 -8.169 -13.750 1.00 1.46 O ATOM 2754 ND2 ASN B 70 -12.847 -8.117 -11.773 1.00 1.66 N ATOM 0 H ASN B 70 -10.751 -3.875 -12.360 1.00 0.80 H new ATOM 0 HA ASN B 70 -10.686 -5.950 -14.375 1.00 0.94 H new ATOM 0 HB2 ASN B 70 -10.653 -6.238 -11.859 1.00 1.00 H new ATOM 0 HB3 ASN B 70 -12.301 -5.643 -11.821 1.00 1.00 H new ATOM 0 HD21 ASN B 70 -13.215 -9.060 -11.897 1.00 1.66 H new ATOM 0 HD22 ASN B 70 -13.065 -7.591 -10.926 1.00 1.66 H new ATOM 2761 N SER B 71 -13.008 -3.779 -14.276 1.00 0.70 N ATOM 2762 CA SER B 71 -14.176 -3.227 -14.940 1.00 0.66 C ATOM 2763 C SER B 71 -15.438 -3.974 -14.534 1.00 0.61 C ATOM 2764 O SER B 71 -16.337 -4.201 -15.345 1.00 0.66 O ATOM 2765 CB SER B 71 -13.983 -3.249 -16.457 1.00 0.82 C ATOM 2766 OG SER B 71 -12.771 -2.598 -16.815 1.00 1.48 O ATOM 0 H SER B 71 -12.511 -3.102 -13.697 1.00 0.70 H new ATOM 0 HA SER B 71 -14.294 -2.190 -14.626 1.00 0.66 H new ATOM 0 HB2 SER B 71 -13.968 -4.279 -16.813 1.00 0.82 H new ATOM 0 HB3 SER B 71 -14.825 -2.756 -16.944 1.00 0.82 H new ATOM 0 HG SER B 71 -12.662 -2.622 -17.789 1.00 1.48 H new ATOM 2772 N ASP B 72 -15.500 -4.331 -13.262 1.00 0.58 N ATOM 2773 CA ASP B 72 -16.620 -5.088 -12.732 1.00 0.65 C ATOM 2774 C ASP B 72 -17.514 -4.169 -11.916 1.00 0.56 C ATOM 2775 O ASP B 72 -18.662 -4.498 -11.618 1.00 0.66 O ATOM 2776 CB ASP B 72 -16.118 -6.250 -11.870 1.00 0.80 C ATOM 2777 CG ASP B 72 -17.225 -7.205 -11.460 1.00 0.92 C ATOM 2778 OD1 ASP B 72 -17.762 -7.917 -12.340 1.00 1.53 O ATOM 2779 OD2 ASP B 72 -17.556 -7.261 -10.261 1.00 1.56 O ATOM 0 H ASP B 72 -14.782 -4.106 -12.573 1.00 0.58 H new ATOM 0 HA ASP B 72 -17.196 -5.502 -13.560 1.00 0.65 H new ATOM 0 HB2 ASP B 72 -15.356 -6.801 -12.421 1.00 0.80 H new ATOM 0 HB3 ASP B 72 -15.639 -5.851 -10.975 1.00 0.80 H new ATOM 2784 N GLY B 73 -16.980 -3.007 -11.565 1.00 0.45 N ATOM 2785 CA GLY B 73 -17.740 -2.050 -10.789 1.00 0.46 C ATOM 2786 C GLY B 73 -17.402 -2.157 -9.330 1.00 0.41 C ATOM 2787 O GLY B 73 -18.158 -1.718 -8.460 1.00 0.44 O ATOM 0 H GLY B 73 -16.034 -2.711 -11.804 1.00 0.45 H new ATOM 0 HA2 GLY B 73 -17.530 -1.040 -11.142 1.00 0.46 H new ATOM 0 HA3 GLY B 73 -18.806 -2.223 -10.933 1.00 0.46 H new ATOM 2791 N GLN B 74 -16.257 -2.760 -9.073 1.00 0.38 N ATOM 2792 CA GLN B 74 -15.777 -2.984 -7.734 1.00 0.37 C ATOM 2793 C GLN B 74 -14.303 -2.674 -7.707 1.00 0.36 C ATOM 2794 O GLN B 74 -13.692 -2.494 -8.754 1.00 0.39 O ATOM 2795 CB GLN B 74 -15.994 -4.441 -7.327 1.00 0.38 C ATOM 2796 CG GLN B 74 -17.423 -4.915 -7.505 1.00 0.41 C ATOM 2797 CD GLN B 74 -17.713 -6.229 -6.819 1.00 0.49 C ATOM 2798 OE1 GLN B 74 -17.149 -6.540 -5.775 1.00 1.02 O ATOM 2799 NE2 GLN B 74 -18.596 -7.014 -7.408 1.00 1.25 N ATOM 0 H GLN B 74 -15.632 -3.109 -9.799 1.00 0.38 H new ATOM 0 HA GLN B 74 -16.320 -2.345 -7.037 1.00 0.37 H new ATOM 0 HB2 GLN B 74 -15.333 -5.076 -7.917 1.00 0.38 H new ATOM 0 HB3 GLN B 74 -15.707 -4.564 -6.283 1.00 0.38 H new ATOM 0 HG2 GLN B 74 -18.100 -4.154 -7.117 1.00 0.41 H new ATOM 0 HG3 GLN B 74 -17.634 -5.016 -8.570 1.00 0.41 H new ATOM 0 HE21 GLN B 74 -19.043 -6.718 -8.276 1.00 1.25 H new ATOM 0 HE22 GLN B 74 -18.831 -7.917 -6.995 1.00 1.25 H new ATOM 2808 N LEU B 75 -13.741 -2.605 -6.526 1.00 0.33 N ATOM 2809 CA LEU B 75 -12.321 -2.404 -6.398 1.00 0.31 C ATOM 2810 C LEU B 75 -11.666 -3.612 -5.789 1.00 0.32 C ATOM 2811 O LEU B 75 -11.797 -3.888 -4.601 1.00 0.32 O ATOM 2812 CB LEU B 75 -12.014 -1.161 -5.593 1.00 0.31 C ATOM 2813 CG LEU B 75 -12.529 0.121 -6.234 1.00 0.32 C ATOM 2814 CD1 LEU B 75 -12.099 1.335 -5.434 1.00 0.35 C ATOM 2815 CD2 LEU B 75 -12.048 0.207 -7.679 1.00 0.35 C ATOM 0 H LEU B 75 -14.244 -2.685 -5.642 1.00 0.33 H new ATOM 0 HA LEU B 75 -11.912 -2.261 -7.398 1.00 0.31 H new ATOM 0 HB2 LEU B 75 -12.453 -1.263 -4.600 1.00 0.31 H new ATOM 0 HB3 LEU B 75 -10.935 -1.082 -5.458 1.00 0.31 H new ATOM 0 HG LEU B 75 -13.619 0.103 -6.235 1.00 0.32 H new ATOM 0 HD11 LEU B 75 -12.479 2.238 -5.911 1.00 0.35 H new ATOM 0 HD12 LEU B 75 -12.498 1.264 -4.422 1.00 0.35 H new ATOM 0 HD13 LEU B 75 -11.011 1.377 -5.393 1.00 0.35 H new ATOM 0 HD21 LEU B 75 -12.420 1.126 -8.132 1.00 0.35 H new ATOM 0 HD22 LEU B 75 -10.958 0.207 -7.700 1.00 0.35 H new ATOM 0 HD23 LEU B 75 -12.422 -0.650 -8.239 1.00 0.35 H new ATOM 2827 N ASP B 76 -10.977 -4.324 -6.636 1.00 0.35 N ATOM 2828 CA ASP B 76 -10.274 -5.529 -6.264 1.00 0.36 C ATOM 2829 C ASP B 76 -9.034 -5.176 -5.463 1.00 0.33 C ATOM 2830 O ASP B 76 -8.640 -4.017 -5.421 1.00 0.32 O ATOM 2831 CB ASP B 76 -9.943 -6.281 -7.554 1.00 0.44 C ATOM 2832 CG ASP B 76 -8.791 -7.265 -7.442 1.00 0.91 C ATOM 2833 OD1 ASP B 76 -7.617 -6.842 -7.554 1.00 1.68 O ATOM 2834 OD2 ASP B 76 -9.050 -8.467 -7.263 1.00 1.44 O ATOM 0 H ASP B 76 -10.884 -4.083 -7.623 1.00 0.35 H new ATOM 0 HA ASP B 76 -10.882 -6.170 -5.626 1.00 0.36 H new ATOM 0 HB2 ASP B 76 -10.832 -6.820 -7.882 1.00 0.44 H new ATOM 0 HB3 ASP B 76 -9.707 -5.554 -8.331 1.00 0.44 H new ATOM 2839 N PHE B 77 -8.446 -6.163 -4.806 1.00 0.40 N ATOM 2840 CA PHE B 77 -7.271 -5.956 -3.969 1.00 0.49 C ATOM 2841 C PHE B 77 -6.226 -5.064 -4.638 1.00 0.39 C ATOM 2842 O PHE B 77 -5.824 -4.049 -4.078 1.00 0.38 O ATOM 2843 CB PHE B 77 -6.653 -7.299 -3.632 1.00 0.72 C ATOM 2844 CG PHE B 77 -6.967 -7.778 -2.247 1.00 1.75 C ATOM 2845 CD1 PHE B 77 -6.478 -7.099 -1.144 1.00 2.56 C ATOM 2846 CD2 PHE B 77 -7.738 -8.909 -2.046 1.00 2.66 C ATOM 2847 CE1 PHE B 77 -6.754 -7.538 0.134 1.00 3.67 C ATOM 2848 CE2 PHE B 77 -8.018 -9.357 -0.768 1.00 3.77 C ATOM 2849 CZ PHE B 77 -7.524 -8.669 0.324 1.00 4.14 C ATOM 0 H PHE B 77 -8.768 -7.130 -4.837 1.00 0.40 H new ATOM 0 HA PHE B 77 -7.598 -5.446 -3.063 1.00 0.49 H new ATOM 0 HB2 PHE B 77 -7.003 -8.040 -4.351 1.00 0.72 H new ATOM 0 HB3 PHE B 77 -5.571 -7.230 -3.746 1.00 0.72 H new ATOM 0 HD1 PHE B 77 -5.873 -6.215 -1.286 1.00 2.56 H new ATOM 0 HD2 PHE B 77 -8.126 -9.449 -2.897 1.00 2.66 H new ATOM 0 HE1 PHE B 77 -6.368 -6.998 0.986 1.00 3.67 H new ATOM 0 HE2 PHE B 77 -8.621 -10.242 -0.624 1.00 3.77 H new ATOM 0 HZ PHE B 77 -7.740 -9.015 1.324 1.00 4.14 H new ATOM 2859 N SER B 78 -5.801 -5.441 -5.836 1.00 0.38 N ATOM 2860 CA SER B 78 -4.796 -4.681 -6.573 1.00 0.38 C ATOM 2861 C SER B 78 -5.287 -3.268 -6.882 1.00 0.38 C ATOM 2862 O SER B 78 -4.511 -2.318 -6.888 1.00 0.44 O ATOM 2863 CB SER B 78 -4.429 -5.409 -7.866 1.00 0.44 C ATOM 2864 OG SER B 78 -5.576 -5.666 -8.664 1.00 1.32 O ATOM 0 H SER B 78 -6.137 -6.272 -6.322 1.00 0.38 H new ATOM 0 HA SER B 78 -3.908 -4.598 -5.946 1.00 0.38 H new ATOM 0 HB2 SER B 78 -3.717 -4.809 -8.433 1.00 0.44 H new ATOM 0 HB3 SER B 78 -3.933 -6.350 -7.627 1.00 0.44 H new ATOM 0 HG SER B 78 -6.116 -6.368 -8.245 1.00 1.32 H new ATOM 2870 N GLU B 79 -6.584 -3.138 -7.109 1.00 0.36 N ATOM 2871 CA GLU B 79 -7.191 -1.857 -7.434 1.00 0.42 C ATOM 2872 C GLU B 79 -7.285 -0.995 -6.183 1.00 0.33 C ATOM 2873 O GLU B 79 -7.104 0.222 -6.226 1.00 0.33 O ATOM 2874 CB GLU B 79 -8.569 -2.100 -8.032 1.00 0.51 C ATOM 2875 CG GLU B 79 -8.534 -3.118 -9.155 1.00 0.64 C ATOM 2876 CD GLU B 79 -9.905 -3.458 -9.686 1.00 1.81 C ATOM 2877 OE1 GLU B 79 -10.894 -3.155 -9.008 1.00 2.54 O ATOM 2878 OE2 GLU B 79 -9.988 -4.041 -10.781 1.00 2.57 O ATOM 0 H GLU B 79 -7.244 -3.915 -7.073 1.00 0.36 H new ATOM 0 HA GLU B 79 -6.577 -1.327 -8.162 1.00 0.42 H new ATOM 0 HB2 GLU B 79 -9.246 -2.446 -7.251 1.00 0.51 H new ATOM 0 HB3 GLU B 79 -8.971 -1.159 -8.409 1.00 0.51 H new ATOM 0 HG2 GLU B 79 -7.921 -2.732 -9.969 1.00 0.64 H new ATOM 0 HG3 GLU B 79 -8.053 -4.028 -8.798 1.00 0.64 H new ATOM 2885 N PHE B 80 -7.554 -1.651 -5.066 1.00 0.28 N ATOM 2886 CA PHE B 80 -7.548 -1.014 -3.762 1.00 0.25 C ATOM 2887 C PHE B 80 -6.136 -0.569 -3.409 1.00 0.23 C ATOM 2888 O PHE B 80 -5.932 0.430 -2.725 1.00 0.26 O ATOM 2889 CB PHE B 80 -8.062 -1.993 -2.709 1.00 0.31 C ATOM 2890 CG PHE B 80 -7.953 -1.485 -1.304 1.00 0.71 C ATOM 2891 CD1 PHE B 80 -8.869 -0.576 -0.812 1.00 1.26 C ATOM 2892 CD2 PHE B 80 -6.927 -1.917 -0.476 1.00 1.60 C ATOM 2893 CE1 PHE B 80 -8.766 -0.104 0.477 1.00 1.56 C ATOM 2894 CE2 PHE B 80 -6.821 -1.448 0.816 1.00 1.98 C ATOM 2895 CZ PHE B 80 -7.741 -0.539 1.293 1.00 1.64 C ATOM 0 H PHE B 80 -7.783 -2.645 -5.040 1.00 0.28 H new ATOM 0 HA PHE B 80 -8.199 -0.140 -3.788 1.00 0.25 H new ATOM 0 HB2 PHE B 80 -9.106 -2.225 -2.921 1.00 0.31 H new ATOM 0 HB3 PHE B 80 -7.505 -2.926 -2.792 1.00 0.31 H new ATOM 0 HD1 PHE B 80 -9.674 -0.232 -1.445 1.00 1.26 H new ATOM 0 HD2 PHE B 80 -6.204 -2.628 -0.847 1.00 1.60 H new ATOM 0 HE1 PHE B 80 -9.488 0.607 0.850 1.00 1.56 H new ATOM 0 HE2 PHE B 80 -6.019 -1.792 1.453 1.00 1.98 H new ATOM 0 HZ PHE B 80 -7.660 -0.168 2.304 1.00 1.64 H new ATOM 2905 N LEU B 81 -5.164 -1.327 -3.874 1.00 0.25 N ATOM 2906 CA LEU B 81 -3.774 -0.995 -3.641 1.00 0.26 C ATOM 2907 C LEU B 81 -3.311 0.074 -4.605 1.00 0.26 C ATOM 2908 O LEU B 81 -2.432 0.868 -4.287 1.00 0.27 O ATOM 2909 CB LEU B 81 -2.910 -2.231 -3.766 1.00 0.29 C ATOM 2910 CG LEU B 81 -3.244 -3.334 -2.760 1.00 0.28 C ATOM 2911 CD1 LEU B 81 -2.308 -4.505 -2.941 1.00 0.33 C ATOM 2912 CD2 LEU B 81 -3.201 -2.800 -1.322 1.00 0.29 C ATOM 0 H LEU B 81 -5.312 -2.178 -4.416 1.00 0.25 H new ATOM 0 HA LEU B 81 -3.679 -0.605 -2.628 1.00 0.26 H new ATOM 0 HB2 LEU B 81 -3.012 -2.632 -4.775 1.00 0.29 H new ATOM 0 HB3 LEU B 81 -1.866 -1.945 -3.641 1.00 0.29 H new ATOM 0 HG LEU B 81 -4.261 -3.679 -2.947 1.00 0.28 H new ATOM 0 HD11 LEU B 81 -2.556 -5.284 -2.219 1.00 0.33 H new ATOM 0 HD12 LEU B 81 -2.411 -4.901 -3.951 1.00 0.33 H new ATOM 0 HD13 LEU B 81 -1.281 -4.177 -2.783 1.00 0.33 H new ATOM 0 HD21 LEU B 81 -3.442 -3.605 -0.628 1.00 0.29 H new ATOM 0 HD22 LEU B 81 -2.203 -2.420 -1.105 1.00 0.29 H new ATOM 0 HD23 LEU B 81 -3.927 -1.995 -1.211 1.00 0.29 H new ATOM 2924 N ASN B 82 -3.901 0.085 -5.786 1.00 0.26 N ATOM 2925 CA ASN B 82 -3.711 1.182 -6.710 1.00 0.26 C ATOM 2926 C ASN B 82 -4.210 2.457 -6.056 1.00 0.23 C ATOM 2927 O ASN B 82 -3.600 3.523 -6.157 1.00 0.24 O ATOM 2928 CB ASN B 82 -4.487 0.934 -8.004 1.00 0.30 C ATOM 2929 CG ASN B 82 -3.773 0.001 -8.962 1.00 0.78 C ATOM 2930 OD1 ASN B 82 -2.545 -0.082 -8.974 1.00 1.50 O ATOM 2931 ND2 ASN B 82 -4.536 -0.693 -9.792 1.00 1.42 N ATOM 0 H ASN B 82 -4.516 -0.655 -6.126 1.00 0.26 H new ATOM 0 HA ASN B 82 -2.652 1.270 -6.954 1.00 0.26 H new ATOM 0 HB2 ASN B 82 -5.463 0.515 -7.759 1.00 0.30 H new ATOM 0 HB3 ASN B 82 -4.665 1.888 -8.501 1.00 0.30 H new ATOM 0 HD21 ASN B 82 -4.109 -1.323 -10.471 1.00 1.42 H new ATOM 0 HD22 ASN B 82 -5.551 -0.598 -9.752 1.00 1.42 H new ATOM 2938 N LEU B 83 -5.344 2.312 -5.388 1.00 0.23 N ATOM 2939 CA LEU B 83 -5.904 3.352 -4.552 1.00 0.24 C ATOM 2940 C LEU B 83 -4.899 3.801 -3.508 1.00 0.23 C ATOM 2941 O LEU B 83 -4.541 4.975 -3.446 1.00 0.25 O ATOM 2942 CB LEU B 83 -7.138 2.815 -3.850 1.00 0.27 C ATOM 2943 CG LEU B 83 -7.563 3.610 -2.629 1.00 0.31 C ATOM 2944 CD1 LEU B 83 -8.179 4.934 -3.046 1.00 0.35 C ATOM 2945 CD2 LEU B 83 -8.514 2.800 -1.768 1.00 0.36 C ATOM 0 H LEU B 83 -5.903 1.460 -5.414 1.00 0.23 H new ATOM 0 HA LEU B 83 -6.163 4.204 -5.181 1.00 0.24 H new ATOM 0 HB2 LEU B 83 -7.965 2.794 -4.560 1.00 0.27 H new ATOM 0 HB3 LEU B 83 -6.950 1.784 -3.550 1.00 0.27 H new ATOM 0 HG LEU B 83 -6.680 3.828 -2.029 1.00 0.31 H new ATOM 0 HD11 LEU B 83 -8.478 5.492 -2.159 1.00 0.35 H new ATOM 0 HD12 LEU B 83 -7.448 5.514 -3.610 1.00 0.35 H new ATOM 0 HD13 LEU B 83 -9.053 4.748 -3.670 1.00 0.35 H new ATOM 0 HD21 LEU B 83 -8.807 3.387 -0.898 1.00 0.36 H new ATOM 0 HD22 LEU B 83 -9.401 2.543 -2.348 1.00 0.36 H new ATOM 0 HD23 LEU B 83 -8.019 1.887 -1.439 1.00 0.36 H new ATOM 2957 N ILE B 84 -4.469 2.849 -2.686 1.00 0.24 N ATOM 2958 CA ILE B 84 -3.470 3.091 -1.656 1.00 0.26 C ATOM 2959 C ILE B 84 -2.253 3.802 -2.245 1.00 0.27 C ATOM 2960 O ILE B 84 -1.673 4.687 -1.618 1.00 0.29 O ATOM 2961 CB ILE B 84 -3.054 1.755 -0.998 1.00 0.29 C ATOM 2962 CG1 ILE B 84 -4.201 1.192 -0.153 1.00 0.55 C ATOM 2963 CG2 ILE B 84 -1.792 1.917 -0.156 1.00 0.47 C ATOM 2964 CD1 ILE B 84 -4.626 2.092 0.985 1.00 0.62 C ATOM 0 H ILE B 84 -4.805 1.887 -2.717 1.00 0.24 H new ATOM 0 HA ILE B 84 -3.904 3.737 -0.892 1.00 0.26 H new ATOM 0 HB ILE B 84 -2.830 1.046 -1.795 1.00 0.29 H new ATOM 0 HG12 ILE B 84 -5.060 1.011 -0.799 1.00 0.55 H new ATOM 0 HG13 ILE B 84 -3.899 0.227 0.254 1.00 0.55 H new ATOM 0 HG21 ILE B 84 -1.528 0.959 0.292 1.00 0.47 H new ATOM 0 HG22 ILE B 84 -0.974 2.259 -0.789 1.00 0.47 H new ATOM 0 HG23 ILE B 84 -1.972 2.649 0.632 1.00 0.47 H new ATOM 0 HD11 ILE B 84 -5.442 1.623 1.535 1.00 0.62 H new ATOM 0 HD12 ILE B 84 -3.782 2.254 1.656 1.00 0.62 H new ATOM 0 HD13 ILE B 84 -4.961 3.049 0.586 1.00 0.62 H new ATOM 2976 N GLY B 85 -1.900 3.425 -3.468 1.00 0.26 N ATOM 2977 CA GLY B 85 -0.825 4.078 -4.178 1.00 0.29 C ATOM 2978 C GLY B 85 -1.100 5.548 -4.407 1.00 0.28 C ATOM 2979 O GLY B 85 -0.285 6.393 -4.052 1.00 0.32 O ATOM 0 H GLY B 85 -2.348 2.668 -3.984 1.00 0.26 H new ATOM 0 HA2 GLY B 85 0.101 3.967 -3.613 1.00 0.29 H new ATOM 0 HA3 GLY B 85 -0.674 3.585 -5.138 1.00 0.29 H new ATOM 2983 N GLY B 86 -2.274 5.859 -4.951 1.00 0.27 N ATOM 2984 CA GLY B 86 -2.595 7.237 -5.288 1.00 0.30 C ATOM 2985 C GLY B 86 -2.782 8.069 -4.044 1.00 0.29 C ATOM 2986 O GLY B 86 -2.475 9.261 -4.014 1.00 0.34 O ATOM 0 H GLY B 86 -3.008 5.183 -5.164 1.00 0.27 H new ATOM 0 HA2 GLY B 86 -1.797 7.661 -5.897 1.00 0.30 H new ATOM 0 HA3 GLY B 86 -3.504 7.266 -5.889 1.00 0.30 H new ATOM 2990 N LEU B 87 -3.270 7.408 -3.013 1.00 0.25 N ATOM 2991 CA LEU B 87 -3.443 8.008 -1.707 1.00 0.25 C ATOM 2992 C LEU B 87 -2.092 8.380 -1.124 1.00 0.26 C ATOM 2993 O LEU B 87 -1.828 9.542 -0.816 1.00 0.29 O ATOM 2994 CB LEU B 87 -4.124 7.012 -0.778 1.00 0.25 C ATOM 2995 CG LEU B 87 -5.610 6.772 -1.014 1.00 0.26 C ATOM 2996 CD1 LEU B 87 -6.062 5.561 -0.221 1.00 0.26 C ATOM 2997 CD2 LEU B 87 -6.421 7.989 -0.608 1.00 0.35 C ATOM 0 H LEU B 87 -3.560 6.431 -3.060 1.00 0.25 H new ATOM 0 HA LEU B 87 -4.055 8.904 -1.807 1.00 0.25 H new ATOM 0 HB2 LEU B 87 -3.606 6.057 -0.863 1.00 0.25 H new ATOM 0 HB3 LEU B 87 -3.992 7.356 0.248 1.00 0.25 H new ATOM 0 HG LEU B 87 -5.771 6.591 -2.077 1.00 0.26 H new ATOM 0 HD11 LEU B 87 -7.125 5.391 -0.391 1.00 0.26 H new ATOM 0 HD12 LEU B 87 -5.498 4.685 -0.542 1.00 0.26 H new ATOM 0 HD13 LEU B 87 -5.888 5.736 0.841 1.00 0.26 H new ATOM 0 HD21 LEU B 87 -7.479 7.797 -0.785 1.00 0.35 H new ATOM 0 HD22 LEU B 87 -6.262 8.196 0.450 1.00 0.35 H new ATOM 0 HD23 LEU B 87 -6.105 8.850 -1.198 1.00 0.35 H new ATOM 3009 N ALA B 88 -1.233 7.376 -0.995 1.00 0.25 N ATOM 3010 CA ALA B 88 0.095 7.559 -0.437 1.00 0.27 C ATOM 3011 C ALA B 88 0.885 8.559 -1.235 1.00 0.29 C ATOM 3012 O ALA B 88 1.713 9.288 -0.698 1.00 0.35 O ATOM 3013 CB ALA B 88 0.852 6.256 -0.423 1.00 0.26 C ATOM 0 H ALA B 88 -1.439 6.417 -1.274 1.00 0.25 H new ATOM 0 HA ALA B 88 -0.032 7.925 0.582 1.00 0.27 H new ATOM 0 HB1 ALA B 88 1.844 6.416 -0.001 1.00 0.26 H new ATOM 0 HB2 ALA B 88 0.313 5.528 0.184 1.00 0.26 H new ATOM 0 HB3 ALA B 88 0.947 5.880 -1.442 1.00 0.26 H new ATOM 3019 N MET B 89 0.639 8.574 -2.525 1.00 0.29 N ATOM 3020 CA MET B 89 1.344 9.465 -3.405 1.00 0.32 C ATOM 3021 C MET B 89 0.950 10.904 -3.149 1.00 0.34 C ATOM 3022 O MET B 89 1.788 11.798 -3.203 1.00 0.39 O ATOM 3023 CB MET B 89 1.130 9.064 -4.853 1.00 0.34 C ATOM 3024 CG MET B 89 1.956 7.849 -5.228 1.00 0.42 C ATOM 3025 SD MET B 89 2.076 7.597 -7.010 1.00 1.03 S ATOM 3026 CE MET B 89 0.367 7.282 -7.437 1.00 1.89 C ATOM 0 H MET B 89 -0.047 7.976 -2.985 1.00 0.29 H new ATOM 0 HA MET B 89 2.411 9.386 -3.198 1.00 0.32 H new ATOM 0 HB2 MET B 89 0.074 8.851 -5.019 1.00 0.34 H new ATOM 0 HB3 MET B 89 1.393 9.898 -5.504 1.00 0.34 H new ATOM 0 HG2 MET B 89 2.959 7.957 -4.814 1.00 0.42 H new ATOM 0 HG3 MET B 89 1.516 6.963 -4.771 1.00 0.42 H new ATOM 0 HE1 MET B 89 0.304 6.969 -8.479 1.00 1.89 H new ATOM 0 HE2 MET B 89 -0.029 6.494 -6.797 1.00 1.89 H new ATOM 0 HE3 MET B 89 -0.217 8.191 -7.296 1.00 1.89 H new ATOM 3036 N ALA B 90 -0.311 11.114 -2.820 1.00 0.34 N ATOM 3037 CA ALA B 90 -0.782 12.433 -2.445 1.00 0.39 C ATOM 3038 C ALA B 90 -0.306 12.775 -1.038 1.00 0.42 C ATOM 3039 O ALA B 90 -0.020 13.929 -0.725 1.00 0.49 O ATOM 3040 CB ALA B 90 -2.297 12.484 -2.536 1.00 0.46 C ATOM 0 H ALA B 90 -1.027 10.388 -2.805 1.00 0.34 H new ATOM 0 HA ALA B 90 -0.372 13.174 -3.132 1.00 0.39 H new ATOM 0 HB1 ALA B 90 -2.645 13.477 -2.253 1.00 0.46 H new ATOM 0 HB2 ALA B 90 -2.608 12.268 -3.558 1.00 0.46 H new ATOM 0 HB3 ALA B 90 -2.727 11.743 -1.862 1.00 0.46 H new ATOM 3046 N CYS B 91 -0.199 11.750 -0.202 1.00 0.41 N ATOM 3047 CA CYS B 91 0.238 11.911 1.178 1.00 0.47 C ATOM 3048 C CYS B 91 1.718 12.282 1.254 1.00 0.44 C ATOM 3049 O CYS B 91 2.089 13.211 1.964 1.00 0.51 O ATOM 3050 CB CYS B 91 -0.029 10.629 1.965 1.00 0.55 C ATOM 3051 SG CYS B 91 0.427 10.711 3.711 1.00 1.76 S ATOM 0 H CYS B 91 -0.412 10.787 -0.461 1.00 0.41 H new ATOM 0 HA CYS B 91 -0.333 12.728 1.620 1.00 0.47 H new ATOM 0 HB2 CYS B 91 -1.089 10.387 1.891 1.00 0.55 H new ATOM 0 HB3 CYS B 91 0.519 9.811 1.498 1.00 0.55 H new ATOM 0 HG CYS B 91 1.528 11.390 3.840 1.00 1.76 H new ATOM 3057 N HIS B 92 2.571 11.569 0.523 1.00 0.41 N ATOM 3058 CA HIS B 92 3.992 11.892 0.529 1.00 0.46 C ATOM 3059 C HIS B 92 4.206 13.227 -0.152 1.00 0.45 C ATOM 3060 O HIS B 92 5.082 13.990 0.227 1.00 0.49 O ATOM 3061 CB HIS B 92 4.863 10.798 -0.124 1.00 0.54 C ATOM 3062 CG HIS B 92 4.809 10.706 -1.628 1.00 1.21 C ATOM 3063 ND1 HIS B 92 5.327 11.665 -2.477 1.00 2.12 N ATOM 3064 CD2 HIS B 92 4.333 9.726 -2.429 1.00 1.96 C ATOM 3065 CE1 HIS B 92 5.165 11.279 -3.728 1.00 2.74 C ATOM 3066 NE2 HIS B 92 4.569 10.105 -3.730 1.00 2.62 N ATOM 0 H HIS B 92 2.310 10.780 -0.069 1.00 0.41 H new ATOM 0 HA HIS B 92 4.312 11.950 1.569 1.00 0.46 H new ATOM 0 HB2 HIS B 92 5.899 10.965 0.171 1.00 0.54 H new ATOM 0 HB3 HIS B 92 4.566 9.834 0.288 1.00 0.54 H new ATOM 0 HD1 HIS B 92 5.767 12.537 -2.182 1.00 2.12 H new ATOM 0 HD2 HIS B 92 3.855 8.813 -2.106 1.00 1.96 H new ATOM 0 HE1 HIS B 92 5.470 11.833 -4.603 1.00 2.74 H new ATOM 3075 N ASP B 93 3.380 13.508 -1.145 1.00 0.45 N ATOM 3076 CA ASP B 93 3.420 14.787 -1.834 1.00 0.52 C ATOM 3077 C ASP B 93 3.092 15.898 -0.844 1.00 0.56 C ATOM 3078 O ASP B 93 3.628 16.999 -0.916 1.00 0.65 O ATOM 3079 CB ASP B 93 2.420 14.773 -2.989 1.00 0.54 C ATOM 3080 CG ASP B 93 2.435 16.055 -3.803 1.00 0.92 C ATOM 3081 OD1 ASP B 93 3.273 16.176 -4.720 1.00 1.48 O ATOM 3082 OD2 ASP B 93 1.597 16.948 -3.536 1.00 1.74 O ATOM 0 H ASP B 93 2.670 12.864 -1.494 1.00 0.45 H new ATOM 0 HA ASP B 93 4.415 14.965 -2.242 1.00 0.52 H new ATOM 0 HB2 ASP B 93 2.642 13.931 -3.644 1.00 0.54 H new ATOM 0 HB3 ASP B 93 1.417 14.613 -2.592 1.00 0.54 H new ATOM 3087 N SER B 94 2.233 15.564 0.109 1.00 0.54 N ATOM 3088 CA SER B 94 1.883 16.459 1.194 1.00 0.60 C ATOM 3089 C SER B 94 3.068 16.634 2.134 1.00 0.63 C ATOM 3090 O SER B 94 3.420 17.751 2.499 1.00 0.70 O ATOM 3091 CB SER B 94 0.689 15.892 1.961 1.00 0.65 C ATOM 3092 OG SER B 94 -0.453 15.801 1.125 1.00 1.26 O ATOM 0 H SER B 94 1.760 14.661 0.148 1.00 0.54 H new ATOM 0 HA SER B 94 1.617 17.432 0.781 1.00 0.60 H new ATOM 0 HB2 SER B 94 0.938 14.905 2.352 1.00 0.65 H new ATOM 0 HB3 SER B 94 0.467 16.528 2.818 1.00 0.65 H new ATOM 0 HG SER B 94 -0.357 15.034 0.523 1.00 1.26 H new ATOM 3098 N PHE B 95 3.690 15.517 2.500 1.00 0.60 N ATOM 3099 CA PHE B 95 4.824 15.518 3.418 1.00 0.67 C ATOM 3100 C PHE B 95 5.987 16.312 2.852 1.00 0.73 C ATOM 3101 O PHE B 95 6.634 17.073 3.563 1.00 0.84 O ATOM 3102 CB PHE B 95 5.274 14.086 3.695 1.00 0.64 C ATOM 3103 CG PHE B 95 4.596 13.449 4.874 1.00 0.78 C ATOM 3104 CD1 PHE B 95 5.020 13.730 6.163 1.00 1.29 C ATOM 3105 CD2 PHE B 95 3.545 12.566 4.697 1.00 1.80 C ATOM 3106 CE1 PHE B 95 4.407 13.141 7.253 1.00 1.76 C ATOM 3107 CE2 PHE B 95 2.928 11.975 5.783 1.00 2.35 C ATOM 3108 CZ PHE B 95 3.359 12.263 7.063 1.00 2.07 C ATOM 0 H PHE B 95 3.423 14.589 2.170 1.00 0.60 H new ATOM 0 HA PHE B 95 4.503 15.989 4.347 1.00 0.67 H new ATOM 0 HB2 PHE B 95 5.086 13.479 2.809 1.00 0.64 H new ATOM 0 HB3 PHE B 95 6.351 14.081 3.862 1.00 0.64 H new ATOM 0 HD1 PHE B 95 5.839 14.417 6.318 1.00 1.29 H new ATOM 0 HD2 PHE B 95 3.203 12.336 3.699 1.00 1.80 H new ATOM 0 HE1 PHE B 95 4.748 13.368 8.252 1.00 1.76 H new ATOM 0 HE2 PHE B 95 2.109 11.288 5.631 1.00 2.35 H new ATOM 0 HZ PHE B 95 2.877 11.803 7.913 1.00 2.07 H new ATOM 3118 N LEU B 96 6.233 16.143 1.567 1.00 0.69 N ATOM 3119 CA LEU B 96 7.342 16.810 0.899 1.00 0.81 C ATOM 3120 C LEU B 96 7.094 18.308 0.793 1.00 0.91 C ATOM 3121 O LEU B 96 8.025 19.092 0.603 1.00 1.09 O ATOM 3122 CB LEU B 96 7.561 16.205 -0.488 1.00 0.83 C ATOM 3123 CG LEU B 96 8.511 15.000 -0.547 1.00 0.87 C ATOM 3124 CD1 LEU B 96 9.912 15.402 -0.128 1.00 1.22 C ATOM 3125 CD2 LEU B 96 8.004 13.859 0.320 1.00 1.08 C ATOM 0 H LEU B 96 5.676 15.544 0.957 1.00 0.69 H new ATOM 0 HA LEU B 96 8.242 16.660 1.496 1.00 0.81 H new ATOM 0 HB2 LEU B 96 6.594 15.902 -0.889 1.00 0.83 H new ATOM 0 HB3 LEU B 96 7.949 16.983 -1.146 1.00 0.83 H new ATOM 0 HG LEU B 96 8.544 14.651 -1.579 1.00 0.87 H new ATOM 0 HD11 LEU B 96 10.569 14.534 -0.177 1.00 1.22 H new ATOM 0 HD12 LEU B 96 10.284 16.177 -0.798 1.00 1.22 H new ATOM 0 HD13 LEU B 96 9.891 15.784 0.893 1.00 1.22 H new ATOM 0 HD21 LEU B 96 8.697 13.020 0.258 1.00 1.08 H new ATOM 0 HD22 LEU B 96 7.930 14.193 1.355 1.00 1.08 H new ATOM 0 HD23 LEU B 96 7.021 13.545 -0.031 1.00 1.08 H new ATOM 3137 N LYS B 97 5.837 18.694 0.937 1.00 0.83 N ATOM 3138 CA LYS B 97 5.449 20.093 0.896 1.00 0.94 C ATOM 3139 C LYS B 97 5.058 20.574 2.288 1.00 0.98 C ATOM 3140 O LYS B 97 4.485 21.653 2.452 1.00 1.14 O ATOM 3141 CB LYS B 97 4.293 20.272 -0.074 1.00 0.94 C ATOM 3142 CG LYS B 97 4.692 19.922 -1.487 1.00 0.99 C ATOM 3143 CD LYS B 97 3.503 19.833 -2.411 1.00 1.25 C ATOM 3144 CE LYS B 97 3.957 19.404 -3.784 1.00 2.06 C ATOM 3145 NZ LYS B 97 2.813 19.121 -4.687 1.00 2.65 N ATOM 0 H LYS B 97 5.061 18.049 1.085 1.00 0.83 H new ATOM 0 HA LYS B 97 6.294 20.690 0.554 1.00 0.94 H new ATOM 0 HB2 LYS B 97 3.458 19.643 0.235 1.00 0.94 H new ATOM 0 HB3 LYS B 97 3.945 21.304 -0.039 1.00 0.94 H new ATOM 0 HG2 LYS B 97 5.386 20.673 -1.863 1.00 0.99 H new ATOM 0 HG3 LYS B 97 5.222 18.970 -1.487 1.00 0.99 H new ATOM 0 HD2 LYS B 97 2.778 19.121 -2.018 1.00 1.25 H new ATOM 0 HD3 LYS B 97 3.002 20.799 -2.469 1.00 1.25 H new ATOM 0 HE2 LYS B 97 4.578 20.186 -4.221 1.00 2.06 H new ATOM 0 HE3 LYS B 97 4.579 18.513 -3.698 1.00 2.06 H new ATOM 0 HZ1 LYS B 97 3.157 18.640 -5.543 1.00 2.65 H new ATOM 0 HZ2 LYS B 97 2.128 18.510 -4.198 1.00 2.65 H new ATOM 0 HZ3 LYS B 97 2.352 20.014 -4.954 1.00 2.65 H new ATOM 3159 N ALA B 98 5.369 19.759 3.288 1.00 0.99 N ATOM 3160 CA ALA B 98 5.029 20.073 4.665 1.00 1.07 C ATOM 3161 C ALA B 98 6.250 19.946 5.565 1.00 1.10 C ATOM 3162 O ALA B 98 6.748 20.938 6.097 1.00 1.24 O ATOM 3163 CB ALA B 98 3.907 19.167 5.157 1.00 1.01 C ATOM 0 H ALA B 98 5.858 18.872 3.168 1.00 0.99 H new ATOM 0 HA ALA B 98 4.683 21.106 4.704 1.00 1.07 H new ATOM 0 HB1 ALA B 98 3.665 19.416 6.190 1.00 1.01 H new ATOM 0 HB2 ALA B 98 3.025 19.309 4.533 1.00 1.01 H new ATOM 0 HB3 ALA B 98 4.228 18.127 5.100 1.00 1.01 H new ATOM 3169 N VAL B 99 6.737 18.719 5.709 1.00 1.01 N ATOM 3170 CA VAL B 99 7.891 18.426 6.547 1.00 1.07 C ATOM 3171 C VAL B 99 8.243 16.935 6.465 1.00 1.01 C ATOM 3172 O VAL B 99 7.728 16.105 7.215 1.00 1.02 O ATOM 3173 CB VAL B 99 7.675 18.861 8.024 1.00 1.17 C ATOM 3174 CG1 VAL B 99 6.404 18.263 8.615 1.00 1.14 C ATOM 3175 CG2 VAL B 99 8.890 18.499 8.867 1.00 1.25 C ATOM 0 H VAL B 99 6.342 17.900 5.247 1.00 1.01 H new ATOM 0 HA VAL B 99 8.728 19.011 6.165 1.00 1.07 H new ATOM 0 HB VAL B 99 7.552 19.944 8.034 1.00 1.17 H new ATOM 0 HG11 VAL B 99 6.293 18.593 9.648 1.00 1.14 H new ATOM 0 HG12 VAL B 99 5.543 18.592 8.034 1.00 1.14 H new ATOM 0 HG13 VAL B 99 6.466 17.175 8.586 1.00 1.14 H new ATOM 0 HG21 VAL B 99 8.723 18.810 9.898 1.00 1.25 H new ATOM 0 HG22 VAL B 99 9.048 17.421 8.834 1.00 1.25 H new ATOM 0 HG23 VAL B 99 9.771 19.006 8.473 1.00 1.25 H new ATOM 3185 N PRO B 100 9.108 16.568 5.516 1.00 1.01 N ATOM 3186 CA PRO B 100 9.534 15.194 5.325 1.00 1.02 C ATOM 3187 C PRO B 100 10.840 14.895 6.051 1.00 1.28 C ATOM 3188 O PRO B 100 11.474 13.866 5.821 1.00 1.60 O ATOM 3189 CB PRO B 100 9.724 15.138 3.813 1.00 1.04 C ATOM 3190 CG PRO B 100 10.209 16.507 3.444 1.00 1.04 C ATOM 3191 CD PRO B 100 9.728 17.456 4.520 1.00 1.07 C ATOM 0 HA PRO B 100 8.829 14.462 5.718 1.00 1.02 H new ATOM 0 HB2 PRO B 100 10.447 14.372 3.532 1.00 1.04 H new ATOM 0 HB3 PRO B 100 8.790 14.897 3.304 1.00 1.04 H new ATOM 0 HG2 PRO B 100 11.297 16.524 3.374 1.00 1.04 H new ATOM 0 HG3 PRO B 100 9.822 16.803 2.469 1.00 1.04 H new ATOM 0 HD2 PRO B 100 10.552 18.026 4.949 1.00 1.07 H new ATOM 0 HD3 PRO B 100 9.012 18.178 4.127 1.00 1.07 H new ATOM 3199 N SER B 101 11.230 15.800 6.936 1.00 1.57 N ATOM 3200 CA SER B 101 12.478 15.675 7.673 1.00 1.88 C ATOM 3201 C SER B 101 12.298 14.789 8.905 1.00 1.62 C ATOM 3202 O SER B 101 12.717 15.142 10.009 1.00 1.94 O ATOM 3203 CB SER B 101 12.973 17.063 8.078 1.00 2.76 C ATOM 3204 OG SER B 101 13.073 17.910 6.942 1.00 3.39 O ATOM 0 H SER B 101 10.693 16.637 7.163 1.00 1.57 H new ATOM 0 HA SER B 101 13.221 15.203 7.030 1.00 1.88 H new ATOM 0 HB2 SER B 101 12.289 17.501 8.805 1.00 2.76 H new ATOM 0 HB3 SER B 101 13.945 16.981 8.564 1.00 2.76 H new ATOM 0 HG SER B 101 13.390 18.795 7.220 1.00 3.39 H new ATOM 3210 N GLN B 102 11.665 13.638 8.702 1.00 1.61 N ATOM 3211 CA GLN B 102 11.461 12.669 9.769 1.00 2.12 C ATOM 3212 C GLN B 102 12.796 12.128 10.260 1.00 2.74 C ATOM 3213 O GLN B 102 13.614 11.660 9.460 1.00 3.39 O ATOM 3214 CB GLN B 102 10.574 11.515 9.293 1.00 2.47 C ATOM 3215 CG GLN B 102 10.982 10.936 7.946 1.00 3.01 C ATOM 3216 CD GLN B 102 10.336 9.595 7.669 1.00 3.87 C ATOM 3217 OE1 GLN B 102 9.225 9.525 7.146 1.00 4.45 O ATOM 3218 NE2 GLN B 102 11.035 8.522 8.005 1.00 4.44 N ATOM 0 H GLN B 102 11.282 13.354 7.800 1.00 1.61 H new ATOM 0 HA GLN B 102 10.960 13.176 10.594 1.00 2.12 H new ATOM 0 HB2 GLN B 102 10.596 10.721 10.040 1.00 2.47 H new ATOM 0 HB3 GLN B 102 9.544 11.865 9.230 1.00 2.47 H new ATOM 0 HG2 GLN B 102 10.710 11.636 7.156 1.00 3.01 H new ATOM 0 HG3 GLN B 102 12.066 10.826 7.915 1.00 3.01 H new ATOM 0 HE21 GLN B 102 11.953 8.626 8.437 1.00 4.44 H new ATOM 0 HE22 GLN B 102 10.655 7.591 7.832 1.00 4.44 H new ATOM 3227 N LYS B 103 13.008 12.214 11.574 1.00 3.15 N ATOM 3228 CA LYS B 103 14.246 11.765 12.221 1.00 4.07 C ATOM 3229 C LYS B 103 15.408 12.703 11.889 1.00 4.57 C ATOM 3230 O LYS B 103 16.056 13.231 12.793 1.00 5.24 O ATOM 3231 CB LYS B 103 14.577 10.318 11.829 1.00 4.74 C ATOM 3232 CG LYS B 103 15.805 9.754 12.527 1.00 5.31 C ATOM 3233 CD LYS B 103 15.984 8.270 12.239 1.00 6.26 C ATOM 3234 CE LYS B 103 16.210 8.000 10.760 1.00 6.83 C ATOM 3235 NZ LYS B 103 16.421 6.554 10.489 1.00 7.43 N ATOM 0 H LYS B 103 12.323 12.599 12.225 1.00 3.15 H new ATOM 0 HA LYS B 103 14.091 11.793 13.300 1.00 4.07 H new ATOM 0 HB2 LYS B 103 13.719 9.685 12.057 1.00 4.74 H new ATOM 0 HB3 LYS B 103 14.730 10.270 10.751 1.00 4.74 H new ATOM 0 HG2 LYS B 103 16.691 10.298 12.200 1.00 5.31 H new ATOM 0 HG3 LYS B 103 15.715 9.908 13.602 1.00 5.31 H new ATOM 0 HD2 LYS B 103 16.831 7.889 12.810 1.00 6.26 H new ATOM 0 HD3 LYS B 103 15.101 7.726 12.576 1.00 6.26 H new ATOM 0 HE2 LYS B 103 15.351 8.355 10.190 1.00 6.83 H new ATOM 0 HE3 LYS B 103 17.076 8.565 10.416 1.00 6.83 H new ATOM 0 HZ1 LYS B 103 16.572 6.410 9.470 1.00 7.43 H new ATOM 0 HZ2 LYS B 103 17.255 6.221 11.013 1.00 7.43 H new ATOM 0 HZ3 LYS B 103 15.584 6.018 10.794 1.00 7.43 H new ATOM 3249 N ARG B 104 15.650 12.913 10.597 1.00 4.69 N ATOM 3250 CA ARG B 104 16.669 13.844 10.121 1.00 5.54 C ATOM 3251 C ARG B 104 18.050 13.474 10.658 1.00 5.67 C ATOM 3252 O ARG B 104 18.532 14.054 11.630 1.00 5.97 O ATOM 3253 CB ARG B 104 16.303 15.279 10.514 1.00 6.11 C ATOM 3254 CG ARG B 104 17.214 16.332 9.911 1.00 6.81 C ATOM 3255 CD ARG B 104 16.803 17.728 10.333 1.00 7.63 C ATOM 3256 NE ARG B 104 17.651 18.755 9.732 1.00 8.12 N ATOM 3257 CZ ARG B 104 17.348 20.049 9.718 1.00 8.95 C ATOM 3258 NH1 ARG B 104 16.213 20.471 10.259 1.00 9.34 N ATOM 3259 NH2 ARG B 104 18.176 20.919 9.158 1.00 9.59 N ATOM 0 H ARG B 104 15.143 12.440 9.849 1.00 4.69 H new ATOM 0 HA ARG B 104 16.707 13.778 9.034 1.00 5.54 H new ATOM 0 HB2 ARG B 104 15.277 15.480 10.205 1.00 6.11 H new ATOM 0 HB3 ARG B 104 16.332 15.367 11.600 1.00 6.11 H new ATOM 0 HG2 ARG B 104 18.242 16.145 10.220 1.00 6.81 H new ATOM 0 HG3 ARG B 104 17.189 16.257 8.824 1.00 6.81 H new ATOM 0 HD2 ARG B 104 15.766 17.902 10.047 1.00 7.63 H new ATOM 0 HD3 ARG B 104 16.852 17.807 11.419 1.00 7.63 H new ATOM 0 HE ARG B 104 18.526 18.462 9.298 1.00 8.12 H new ATOM 0 HH11 ARG B 104 15.572 19.802 10.686 1.00 9.34 H new ATOM 0 HH12 ARG B 104 15.981 21.464 10.248 1.00 9.34 H new ATOM 0 HH21 ARG B 104 19.047 20.596 8.737 1.00 9.59 H new ATOM 0 HH22 ARG B 104 17.942 21.912 9.148 1.00 9.59 H new ATOM 3273 N THR B 105 18.669 12.492 10.030 1.00 5.80 N ATOM 3274 CA THR B 105 20.003 12.068 10.411 1.00 6.20 C ATOM 3275 C THR B 105 21.013 12.517 9.360 1.00 6.46 C ATOM 3276 O THR B 105 21.654 13.567 9.558 1.00 6.81 O ATOM 3277 CB THR B 105 20.064 10.538 10.586 1.00 6.59 C ATOM 3278 OG1 THR B 105 19.024 10.117 11.481 1.00 6.66 O ATOM 3279 CG2 THR B 105 21.415 10.102 11.137 1.00 7.01 C ATOM 3280 OXT THR B 105 21.138 11.837 8.321 1.00 6.62 O ATOM 0 H THR B 105 18.267 11.971 9.250 1.00 5.80 H new ATOM 0 HA THR B 105 20.251 12.531 11.366 1.00 6.20 H new ATOM 0 HB THR B 105 19.926 10.075 9.609 1.00 6.59 H new ATOM 0 HG1 THR B 105 19.061 9.144 11.591 1.00 6.66 H new ATOM 0 HG21 THR B 105 21.429 9.018 11.250 1.00 7.01 H new ATOM 0 HG22 THR B 105 22.204 10.405 10.449 1.00 7.01 H new ATOM 0 HG23 THR B 105 21.580 10.570 12.107 1.00 7.01 H new TER 3288 THR B 105