USER MOD reduce.3.24.130724 H: found=0, std=0, add=961, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 959 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 GLN : amide:sc= -5.14! C(o=-4.5!,f=-6.2!) USER MOD Set 1.2: A 98 TYR OH : rot -61:sc= 0.619 USER MOD Set 2.1: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 67 GLN :FLIP amide:sc= -0.269 F(o=-1.1,f=-0.27) USER MOD Set 3.1: A 18 CYS SG : rot 171:sc= 0.518 USER MOD Set 3.2: A 36 TYR OH : rot -51:sc= 0.753 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.111 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.8!) USER MOD Single : A 15 ASN :FLIP amide:sc= -2.65! C(o=-3.4!,f=-2.6!) USER MOD Single : A 26 ASN : amide:sc= -0.71 K(o=-0.71,f=-2.1) USER MOD Single : A 28 ASN : amide:sc= -2.12! C(o=-2.1!,f=-2.5!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00623 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -2.84! C(o=-2.8!,f=-9.8!) USER MOD Single : A 45 CYS SG : rot 71:sc= -1.24! USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -142:sc= -0.277 (180deg=-1.45!) USER MOD Single : A 52 ASN :FLIP amide:sc= -4.96! C(o=-5.8!,f=-5!) USER MOD Single : A 54 GLN : amide:sc= -0.0235 K(o=-0.023,f=-1.4) USER MOD Single : A 55 ASN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 69 THR OG1 : rot 91:sc= -0.48 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.149 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.868 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.89 K(o=-0.89,f=-3!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 33:sc= -0.627 USER MOD Single : A 88 CYS SG : rot -65:sc= -3.44 USER MOD Single : A 92 ASN : amide:sc= -0.0217 X(o=-0.022,f=-0.028) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= -0.0096 X(o=-0.0096,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= -0.0654 X(o=-0.065,f=-0.29) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 SER OG : rot -111:sc= 1.05 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.277 -13.874 7.613 1.00 0.00 N ATOM 2 CA GLY A 1 -0.986 -13.292 7.190 1.00 0.00 C ATOM 3 C GLY A 1 -1.060 -13.192 5.665 1.00 0.00 C ATOM 4 O GLY A 1 -0.200 -13.720 4.962 1.00 0.00 O ATOM 0 H1 GLY A 1 0.094 -14.668 8.260 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.797 -14.219 6.781 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.845 -13.153 8.102 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.812 -13.900 7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.099 -12.301 7.629 1.00 0.00 H new ATOM 8 N SER A 2 -2.097 -12.511 5.199 1.00 0.00 N ATOM 9 CA SER A 2 -2.295 -12.335 3.770 1.00 0.00 C ATOM 10 C SER A 2 -2.610 -10.870 3.462 1.00 0.00 C ATOM 11 O SER A 2 -2.882 -10.086 4.370 1.00 0.00 O ATOM 12 CB SER A 2 -3.416 -13.239 3.254 1.00 0.00 C ATOM 13 OG SER A 2 -2.910 -14.349 2.517 1.00 0.00 O ATOM 0 H SER A 2 -2.809 -12.075 5.785 1.00 0.00 H new ATOM 0 HA SER A 2 -1.374 -12.617 3.260 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.006 -13.601 4.096 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.087 -12.659 2.621 1.00 0.00 H new ATOM 0 HG SER A 2 -3.656 -14.903 2.206 1.00 0.00 H new ATOM 19 N SER A 3 -2.564 -10.545 2.178 1.00 0.00 N ATOM 20 CA SER A 3 -2.841 -9.188 1.739 1.00 0.00 C ATOM 21 C SER A 3 -3.497 -9.209 0.358 1.00 0.00 C ATOM 22 O SER A 3 -3.138 -10.023 -0.492 1.00 0.00 O ATOM 23 CB SER A 3 -1.563 -8.347 1.708 1.00 0.00 C ATOM 24 OG SER A 3 -1.829 -6.964 1.927 1.00 0.00 O ATOM 0 H SER A 3 -2.339 -11.198 1.428 1.00 0.00 H new ATOM 0 HA SER A 3 -3.526 -8.731 2.453 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.872 -8.709 2.470 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.069 -8.473 0.745 1.00 0.00 H new ATOM 0 HG SER A 3 -0.988 -6.461 1.902 1.00 0.00 H new ATOM 30 N GLY A 4 -4.448 -8.304 0.175 1.00 0.00 N ATOM 31 CA GLY A 4 -5.157 -8.208 -1.089 1.00 0.00 C ATOM 32 C GLY A 4 -6.508 -7.512 -0.909 1.00 0.00 C ATOM 33 O GLY A 4 -7.164 -7.679 0.118 1.00 0.00 O ATOM 0 H GLY A 4 -4.744 -7.631 0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.552 -7.655 -1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.310 -9.206 -1.501 1.00 0.00 H new ATOM 37 N SER A 5 -6.883 -6.747 -1.923 1.00 0.00 N ATOM 38 CA SER A 5 -8.143 -6.024 -1.889 1.00 0.00 C ATOM 39 C SER A 5 -8.943 -6.308 -3.162 1.00 0.00 C ATOM 40 O SER A 5 -10.078 -6.778 -3.095 1.00 0.00 O ATOM 41 CB SER A 5 -7.912 -4.520 -1.732 1.00 0.00 C ATOM 42 OG SER A 5 -7.246 -4.207 -0.512 1.00 0.00 O ATOM 0 H SER A 5 -6.337 -6.612 -2.774 1.00 0.00 H new ATOM 0 HA SER A 5 -8.711 -6.368 -1.025 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.321 -4.154 -2.572 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.870 -4.001 -1.766 1.00 0.00 H new ATOM 0 HG SER A 5 -7.115 -3.238 -0.450 1.00 0.00 H new ATOM 48 N SER A 6 -8.320 -6.011 -4.293 1.00 0.00 N ATOM 49 CA SER A 6 -8.959 -6.228 -5.580 1.00 0.00 C ATOM 50 C SER A 6 -8.409 -7.499 -6.230 1.00 0.00 C ATOM 51 O SER A 6 -7.432 -8.072 -5.751 1.00 0.00 O ATOM 52 CB SER A 6 -8.756 -5.027 -6.505 1.00 0.00 C ATOM 53 OG SER A 6 -9.085 -3.798 -5.865 1.00 0.00 O ATOM 0 H SER A 6 -7.379 -5.622 -4.345 1.00 0.00 H new ATOM 0 HA SER A 6 -10.030 -6.347 -5.415 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.718 -4.996 -6.837 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.372 -5.148 -7.396 1.00 0.00 H new ATOM 0 HG SER A 6 -8.940 -3.056 -6.488 1.00 0.00 H new ATOM 59 N GLY A 7 -9.060 -7.902 -7.311 1.00 0.00 N ATOM 60 CA GLY A 7 -8.647 -9.094 -8.032 1.00 0.00 C ATOM 61 C GLY A 7 -7.342 -8.851 -8.793 1.00 0.00 C ATOM 62 O GLY A 7 -6.270 -8.799 -8.193 1.00 0.00 O ATOM 0 H GLY A 7 -9.871 -7.424 -7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.516 -9.919 -7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.430 -9.390 -8.731 1.00 0.00 H new ATOM 66 N MET A 8 -7.477 -8.708 -10.104 1.00 0.00 N ATOM 67 CA MET A 8 -6.322 -8.471 -10.953 1.00 0.00 C ATOM 68 C MET A 8 -6.587 -7.325 -11.932 1.00 0.00 C ATOM 69 O MET A 8 -7.031 -7.554 -13.056 1.00 0.00 O ATOM 70 CB MET A 8 -5.994 -9.745 -11.735 1.00 0.00 C ATOM 71 CG MET A 8 -4.785 -9.531 -12.649 1.00 0.00 C ATOM 72 SD MET A 8 -4.316 -11.075 -13.412 1.00 0.00 S ATOM 73 CE MET A 8 -3.780 -10.482 -15.008 1.00 0.00 C ATOM 0 H MET A 8 -8.368 -8.752 -10.598 1.00 0.00 H new ATOM 0 HA MET A 8 -5.479 -8.195 -10.320 1.00 0.00 H new ATOM 0 HB2 MET A 8 -5.790 -10.560 -11.041 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.857 -10.043 -12.331 1.00 0.00 H new ATOM 0 HG2 MET A 8 -5.024 -8.795 -13.416 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.950 -9.132 -12.074 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.451 -11.324 -15.617 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.608 -9.976 -15.505 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.953 -9.783 -14.878 1.00 0.00 H new ATOM 83 N PRO A 9 -6.296 -6.085 -11.457 1.00 0.00 N ATOM 84 CA PRO A 9 -6.498 -4.903 -12.277 1.00 0.00 C ATOM 85 C PRO A 9 -5.410 -4.786 -13.347 1.00 0.00 C ATOM 86 O PRO A 9 -4.488 -5.598 -13.391 1.00 0.00 O ATOM 87 CB PRO A 9 -6.496 -3.740 -11.298 1.00 0.00 C ATOM 88 CG PRO A 9 -5.833 -4.260 -10.033 1.00 0.00 C ATOM 89 CD PRO A 9 -5.769 -5.776 -10.131 1.00 0.00 C ATOM 0 HA PRO A 9 -7.433 -4.934 -12.836 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.949 -2.889 -11.704 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.511 -3.399 -11.095 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.832 -3.842 -9.927 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.400 -3.958 -9.153 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.747 -6.137 -10.017 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.363 -6.249 -9.349 1.00 0.00 H new ATOM 97 N TYR A 10 -5.555 -3.768 -14.183 1.00 0.00 N ATOM 98 CA TYR A 10 -4.597 -3.534 -15.250 1.00 0.00 C ATOM 99 C TYR A 10 -3.878 -2.197 -15.058 1.00 0.00 C ATOM 100 O TYR A 10 -4.519 -1.169 -14.843 1.00 0.00 O ATOM 101 CB TYR A 10 -5.411 -3.481 -16.544 1.00 0.00 C ATOM 102 CG TYR A 10 -6.324 -4.690 -16.755 1.00 0.00 C ATOM 103 CD1 TYR A 10 -5.777 -5.933 -17.001 1.00 0.00 C ATOM 104 CD2 TYR A 10 -7.695 -4.538 -16.698 1.00 0.00 C ATOM 105 CE1 TYR A 10 -6.637 -7.071 -17.200 1.00 0.00 C ATOM 106 CE2 TYR A 10 -8.554 -5.677 -16.897 1.00 0.00 C ATOM 107 CZ TYR A 10 -7.983 -6.887 -17.138 1.00 0.00 C ATOM 108 OH TYR A 10 -8.794 -7.962 -17.325 1.00 0.00 O ATOM 0 H TYR A 10 -6.321 -3.096 -14.143 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.840 -4.318 -15.265 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -6.018 -2.576 -16.542 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.727 -3.404 -17.389 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.704 -6.052 -17.044 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -8.123 -3.566 -16.504 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.222 -8.049 -17.394 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.628 -5.572 -16.856 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.730 -7.682 -17.252 1.00 0.00 H new ATOM 118 N VAL A 11 -2.557 -2.254 -15.143 1.00 0.00 N ATOM 119 CA VAL A 11 -1.745 -1.060 -14.981 1.00 0.00 C ATOM 120 C VAL A 11 -2.156 -0.339 -13.696 1.00 0.00 C ATOM 121 O VAL A 11 -3.076 -0.771 -13.004 1.00 0.00 O ATOM 122 CB VAL A 11 -1.860 -0.176 -16.225 1.00 0.00 C ATOM 123 CG1 VAL A 11 -3.210 0.543 -16.264 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.704 0.823 -16.297 1.00 0.00 C ATOM 0 H VAL A 11 -2.029 -3.108 -15.322 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.692 -1.325 -14.883 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.799 -0.822 -17.101 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.266 1.164 -17.158 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.014 -0.193 -16.283 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.314 1.171 -15.379 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.810 1.439 -17.190 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.719 1.461 -15.413 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.242 0.283 -16.339 1.00 0.00 H new ATOM 134 N ASP A 12 -1.453 0.749 -13.415 1.00 0.00 N ATOM 135 CA ASP A 12 -1.733 1.534 -12.225 1.00 0.00 C ATOM 136 C ASP A 12 -1.614 0.639 -10.989 1.00 0.00 C ATOM 137 O ASP A 12 -1.450 -0.574 -11.110 1.00 0.00 O ATOM 138 CB ASP A 12 -3.153 2.103 -12.261 1.00 0.00 C ATOM 139 CG ASP A 12 -3.378 3.212 -13.290 1.00 0.00 C ATOM 140 OD1 ASP A 12 -2.412 3.968 -13.531 1.00 0.00 O ATOM 141 OD2 ASP A 12 -4.512 3.280 -13.812 1.00 0.00 O ATOM 0 H ASP A 12 -0.690 1.105 -13.991 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.017 2.355 -12.187 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.849 1.290 -12.467 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.399 2.490 -11.272 1.00 0.00 H new ATOM 146 N ARG A 13 -1.701 1.273 -9.829 1.00 0.00 N ATOM 147 CA ARG A 13 -1.605 0.549 -8.572 1.00 0.00 C ATOM 148 C ARG A 13 -0.227 -0.103 -8.439 1.00 0.00 C ATOM 149 O ARG A 13 -0.124 -1.319 -8.289 1.00 0.00 O ATOM 150 CB ARG A 13 -2.684 -0.531 -8.475 1.00 0.00 C ATOM 151 CG ARG A 13 -3.991 0.047 -7.928 1.00 0.00 C ATOM 152 CD ARG A 13 -4.477 -0.748 -6.715 1.00 0.00 C ATOM 153 NE ARG A 13 -5.851 -0.333 -6.354 1.00 0.00 N ATOM 154 CZ ARG A 13 -6.651 -1.020 -5.528 1.00 0.00 C ATOM 155 NH1 ARG A 13 -6.220 -2.161 -4.973 1.00 0.00 N ATOM 156 NH2 ARG A 13 -7.883 -0.567 -5.258 1.00 0.00 N ATOM 0 H ARG A 13 -1.837 2.279 -9.733 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.751 1.266 -7.764 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.858 -0.965 -9.459 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.339 -1.337 -7.827 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.842 1.090 -7.648 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.754 0.032 -8.707 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.457 -1.815 -6.938 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.806 -0.586 -5.871 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.211 0.531 -6.760 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.283 -2.506 -5.180 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.829 -2.684 -4.344 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.211 0.301 -5.681 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.492 -1.090 -4.629 1.00 0.00 H new ATOM 170 N GLN A 14 0.797 0.736 -8.498 1.00 0.00 N ATOM 171 CA GLN A 14 2.164 0.257 -8.386 1.00 0.00 C ATOM 172 C GLN A 14 2.616 0.279 -6.924 1.00 0.00 C ATOM 173 O GLN A 14 3.802 0.434 -6.640 1.00 0.00 O ATOM 174 CB GLN A 14 3.108 1.080 -9.264 1.00 0.00 C ATOM 175 CG GLN A 14 2.915 0.742 -10.743 1.00 0.00 C ATOM 176 CD GLN A 14 4.229 0.277 -11.375 1.00 0.00 C ATOM 177 OE1 GLN A 14 5.296 0.374 -10.792 1.00 0.00 O ATOM 178 NE2 GLN A 14 4.092 -0.233 -12.596 1.00 0.00 N ATOM 0 H GLN A 14 0.707 1.744 -8.622 1.00 0.00 H new ATOM 0 HA GLN A 14 2.197 -0.773 -8.741 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.926 2.143 -9.103 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.141 0.886 -8.975 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.161 -0.039 -10.846 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.542 1.618 -11.274 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.169 -0.285 -13.026 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.910 -0.572 -13.102 1.00 0.00 H new ATOM 187 N ASN A 15 1.645 0.122 -6.035 1.00 0.00 N ATOM 188 CA ASN A 15 1.928 0.122 -4.610 1.00 0.00 C ATOM 189 C ASN A 15 2.010 1.567 -4.111 1.00 0.00 C ATOM 190 O ASN A 15 2.139 1.806 -2.912 1.00 0.00 O ATOM 191 CB ASN A 15 3.267 -0.557 -4.315 1.00 0.00 C ATOM 192 CG ASN A 15 3.459 -1.796 -5.191 1.00 0.00 C ATOM 193 OD1 ASN A 15 4.601 -1.806 -5.872 1.00 0.00 O flip ATOM 194 ND2 ASN A 15 2.624 -2.685 -5.245 1.00 0.00 N flip ATOM 0 H ASN A 15 0.662 -0.006 -6.275 1.00 0.00 H new ATOM 0 HA ASN A 15 1.129 -0.422 -4.107 1.00 0.00 H new ATOM 0 HB2 ASN A 15 4.081 0.146 -4.490 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.311 -0.841 -3.263 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.768 -2.614 -4.695 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.783 -3.498 -5.840 1.00 0.00 H new ATOM 201 N ARG A 16 1.932 2.491 -5.057 1.00 0.00 N ATOM 202 CA ARG A 16 1.995 3.905 -4.728 1.00 0.00 C ATOM 203 C ARG A 16 0.729 4.618 -5.206 1.00 0.00 C ATOM 204 O ARG A 16 0.184 4.286 -6.257 1.00 0.00 O ATOM 205 CB ARG A 16 3.217 4.565 -5.370 1.00 0.00 C ATOM 206 CG ARG A 16 3.105 6.090 -5.322 1.00 0.00 C ATOM 207 CD ARG A 16 4.488 6.744 -5.377 1.00 0.00 C ATOM 208 NE ARG A 16 4.514 7.785 -6.428 1.00 0.00 N ATOM 209 CZ ARG A 16 5.630 8.385 -6.864 1.00 0.00 C ATOM 210 NH1 ARG A 16 6.818 8.050 -6.342 1.00 0.00 N ATOM 211 NH2 ARG A 16 5.558 9.320 -7.821 1.00 0.00 N ATOM 0 H ARG A 16 1.826 2.288 -6.051 1.00 0.00 H new ATOM 0 HA ARG A 16 2.077 3.990 -3.644 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.121 4.247 -4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.311 4.236 -6.405 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.500 6.440 -6.158 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.592 6.392 -4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.729 7.186 -4.410 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.248 5.990 -5.582 1.00 0.00 H new ATOM 0 HE ARG A 16 3.627 8.063 -6.847 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.872 7.339 -5.613 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.668 8.506 -6.674 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.654 9.575 -8.218 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.408 9.777 -8.153 1.00 0.00 H new ATOM 225 N ILE A 17 0.298 5.586 -4.410 1.00 0.00 N ATOM 226 CA ILE A 17 -0.894 6.350 -4.739 1.00 0.00 C ATOM 227 C ILE A 17 -0.579 7.844 -4.647 1.00 0.00 C ATOM 228 O ILE A 17 0.159 8.273 -3.761 1.00 0.00 O ATOM 229 CB ILE A 17 -2.068 5.914 -3.860 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.377 6.542 -4.343 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.794 6.220 -2.387 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.585 5.761 -3.823 1.00 0.00 C ATOM 0 H ILE A 17 0.753 5.859 -3.539 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.202 6.152 -5.766 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.178 4.833 -3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.435 7.576 -4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.394 6.562 -5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.644 5.900 -1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.900 5.686 -2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.642 7.292 -2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.502 6.229 -4.181 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.537 4.734 -4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.578 5.763 -2.733 1.00 0.00 H new ATOM 244 N CYS A 18 -1.155 8.596 -5.574 1.00 0.00 N ATOM 245 CA CYS A 18 -0.944 10.033 -5.608 1.00 0.00 C ATOM 246 C CYS A 18 -2.310 10.716 -5.708 1.00 0.00 C ATOM 247 O CYS A 18 -3.288 10.098 -6.125 1.00 0.00 O ATOM 248 CB CYS A 18 -0.017 10.442 -6.755 1.00 0.00 C ATOM 249 SG CYS A 18 -0.843 10.152 -8.362 1.00 0.00 S ATOM 0 H CYS A 18 -1.767 8.237 -6.307 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.445 10.352 -4.693 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.251 11.494 -6.659 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.910 9.871 -6.705 1.00 0.00 H new ATOM 0 HG CYS A 18 -0.133 10.677 -9.316 1.00 0.00 H new ATOM 255 N GLY A 19 -2.333 11.982 -5.317 1.00 0.00 N ATOM 256 CA GLY A 19 -3.562 12.755 -5.357 1.00 0.00 C ATOM 257 C GLY A 19 -3.476 13.970 -4.431 1.00 0.00 C ATOM 258 O GLY A 19 -2.657 13.999 -3.514 1.00 0.00 O ATOM 0 H GLY A 19 -1.520 12.491 -4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.756 13.084 -6.378 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.401 12.126 -5.060 1.00 0.00 H new ATOM 262 N PHE A 20 -4.332 14.944 -4.704 1.00 0.00 N ATOM 263 CA PHE A 20 -4.363 16.158 -3.906 1.00 0.00 C ATOM 264 C PHE A 20 -5.321 16.012 -2.722 1.00 0.00 C ATOM 265 O PHE A 20 -6.533 15.920 -2.908 1.00 0.00 O ATOM 266 CB PHE A 20 -4.865 17.279 -4.818 1.00 0.00 C ATOM 267 CG PHE A 20 -3.842 17.742 -5.857 1.00 0.00 C ATOM 268 CD1 PHE A 20 -2.691 18.346 -5.456 1.00 0.00 C ATOM 269 CD2 PHE A 20 -4.082 17.549 -7.182 1.00 0.00 C ATOM 270 CE1 PHE A 20 -1.741 18.775 -6.420 1.00 0.00 C ATOM 271 CE2 PHE A 20 -3.133 17.978 -8.146 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.982 18.582 -7.745 1.00 0.00 C ATOM 0 H PHE A 20 -5.009 14.917 -5.466 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.369 16.369 -3.510 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.763 16.939 -5.334 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.154 18.131 -4.203 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.500 18.499 -4.404 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.995 17.069 -7.501 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.827 19.254 -6.102 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.325 17.825 -9.198 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.260 18.908 -8.478 1.00 0.00 H new ATOM 282 N LEU A 21 -4.740 15.996 -1.531 1.00 0.00 N ATOM 283 CA LEU A 21 -5.527 15.863 -0.317 1.00 0.00 C ATOM 284 C LEU A 21 -5.470 17.174 0.469 1.00 0.00 C ATOM 285 O LEU A 21 -4.508 17.932 0.350 1.00 0.00 O ATOM 286 CB LEU A 21 -5.071 14.644 0.487 1.00 0.00 C ATOM 287 CG LEU A 21 -5.127 13.300 -0.243 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.734 12.153 0.690 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.501 13.078 -0.878 1.00 0.00 C ATOM 0 H LEU A 21 -3.734 16.073 -1.381 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.574 15.682 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.046 14.814 0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.687 14.574 1.384 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.398 13.320 -1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.782 11.209 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.719 12.311 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.421 12.120 1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.514 12.116 -1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.266 13.086 -0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.703 13.874 -1.595 1.00 0.00 H new ATOM 301 N ASP A 22 -6.512 17.402 1.255 1.00 0.00 N ATOM 302 CA ASP A 22 -6.592 18.609 2.060 1.00 0.00 C ATOM 303 C ASP A 22 -6.391 18.248 3.534 1.00 0.00 C ATOM 304 O ASP A 22 -7.346 17.908 4.229 1.00 0.00 O ATOM 305 CB ASP A 22 -7.962 19.275 1.920 1.00 0.00 C ATOM 306 CG ASP A 22 -8.471 19.410 0.484 1.00 0.00 C ATOM 307 OD1 ASP A 22 -7.645 19.210 -0.433 1.00 0.00 O ATOM 308 OD2 ASP A 22 -9.676 19.710 0.334 1.00 0.00 O ATOM 0 H ASP A 22 -7.308 16.771 1.352 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.820 19.296 1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.689 18.701 2.495 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.914 20.268 2.367 1.00 0.00 H new ATOM 313 N ILE A 23 -5.141 18.334 3.965 1.00 0.00 N ATOM 314 CA ILE A 23 -4.802 18.021 5.343 1.00 0.00 C ATOM 315 C ILE A 23 -5.067 19.246 6.220 1.00 0.00 C ATOM 316 O ILE A 23 -4.545 20.328 5.956 1.00 0.00 O ATOM 317 CB ILE A 23 -3.368 17.496 5.436 1.00 0.00 C ATOM 318 CG1 ILE A 23 -3.088 16.909 6.821 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.361 18.585 5.060 1.00 0.00 C ATOM 320 CD1 ILE A 23 -1.815 16.059 6.809 1.00 0.00 C ATOM 0 H ILE A 23 -4.351 18.616 3.385 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.436 17.217 5.718 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.252 16.687 4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.985 17.715 7.547 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.934 16.299 7.139 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.349 18.186 5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.547 18.915 4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.469 19.430 5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.639 15.654 7.805 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.931 15.240 6.099 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.967 16.677 6.514 1.00 0.00 H new ATOM 332 N GLU A 24 -5.878 19.035 7.247 1.00 0.00 N ATOM 333 CA GLU A 24 -6.218 20.109 8.164 1.00 0.00 C ATOM 334 C GLU A 24 -4.950 20.701 8.783 1.00 0.00 C ATOM 335 O GLU A 24 -4.175 19.989 9.420 1.00 0.00 O ATOM 336 CB GLU A 24 -7.180 19.620 9.249 1.00 0.00 C ATOM 337 CG GLU A 24 -7.987 20.781 9.831 1.00 0.00 C ATOM 338 CD GLU A 24 -8.552 20.422 11.207 1.00 0.00 C ATOM 339 OE1 GLU A 24 -7.766 19.893 12.022 1.00 0.00 O ATOM 340 OE2 GLU A 24 -9.757 20.684 11.412 1.00 0.00 O ATOM 0 H GLU A 24 -6.309 18.136 7.464 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.725 20.893 7.601 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.857 18.876 8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.618 19.129 10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.353 21.664 9.914 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.803 21.037 9.155 1.00 0.00 H new ATOM 347 N ASP A 25 -4.777 21.998 8.572 1.00 0.00 N ATOM 348 CA ASP A 25 -3.616 22.694 9.101 1.00 0.00 C ATOM 349 C ASP A 25 -3.817 22.948 10.596 1.00 0.00 C ATOM 350 O ASP A 25 -4.949 23.021 11.071 1.00 0.00 O ATOM 351 CB ASP A 25 -3.424 24.046 8.413 1.00 0.00 C ATOM 352 CG ASP A 25 -4.213 25.203 9.030 1.00 0.00 C ATOM 353 OD1 ASP A 25 -5.295 24.919 9.587 1.00 0.00 O ATOM 354 OD2 ASP A 25 -3.716 26.346 8.929 1.00 0.00 O ATOM 0 H ASP A 25 -5.421 22.585 8.042 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.739 22.071 8.923 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.364 24.299 8.431 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.711 23.948 7.366 1.00 0.00 H new ATOM 359 N ASN A 26 -2.700 23.076 11.297 1.00 0.00 N ATOM 360 CA ASN A 26 -2.738 23.320 12.729 1.00 0.00 C ATOM 361 C ASN A 26 -2.803 24.828 12.983 1.00 0.00 C ATOM 362 O ASN A 26 -2.963 25.263 14.122 1.00 0.00 O ATOM 363 CB ASN A 26 -1.482 22.779 13.414 1.00 0.00 C ATOM 364 CG ASN A 26 -1.648 22.770 14.935 1.00 0.00 C ATOM 365 OD1 ASN A 26 -2.681 23.130 15.475 1.00 0.00 O ATOM 366 ND2 ASN A 26 -0.576 22.340 15.594 1.00 0.00 N ATOM 0 H ASN A 26 -1.763 23.015 10.900 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.615 22.815 13.134 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.278 21.768 13.061 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.622 23.392 13.142 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.587 22.297 16.613 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.257 22.053 15.080 1.00 0.00 H new ATOM 373 N GLU A 27 -2.676 25.584 11.902 1.00 0.00 N ATOM 374 CA GLU A 27 -2.718 27.033 11.993 1.00 0.00 C ATOM 375 C GLU A 27 -4.166 27.517 12.085 1.00 0.00 C ATOM 376 O GLU A 27 -4.421 28.650 12.492 1.00 0.00 O ATOM 377 CB GLU A 27 -1.998 27.678 10.807 1.00 0.00 C ATOM 378 CG GLU A 27 -0.647 28.256 11.234 1.00 0.00 C ATOM 379 CD GLU A 27 -0.725 29.776 11.389 1.00 0.00 C ATOM 380 OE1 GLU A 27 -0.534 30.462 10.362 1.00 0.00 O ATOM 381 OE2 GLU A 27 -0.973 30.217 12.532 1.00 0.00 O ATOM 0 H GLU A 27 -2.544 25.220 10.958 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.196 27.336 12.901 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.849 26.938 10.021 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.619 28.469 10.386 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.337 27.806 12.177 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.112 28.001 10.494 1.00 0.00 H new ATOM 388 N ASN A 28 -5.077 26.635 11.701 1.00 0.00 N ATOM 389 CA ASN A 28 -6.493 26.959 11.735 1.00 0.00 C ATOM 390 C ASN A 28 -7.305 25.666 11.845 1.00 0.00 C ATOM 391 O ASN A 28 -7.287 24.839 10.935 1.00 0.00 O ATOM 392 CB ASN A 28 -6.924 27.680 10.457 1.00 0.00 C ATOM 393 CG ASN A 28 -6.015 28.876 10.168 1.00 0.00 C ATOM 394 OD1 ASN A 28 -6.028 29.880 10.861 1.00 0.00 O ATOM 395 ND2 ASN A 28 -5.225 28.713 9.111 1.00 0.00 N ATOM 0 H ASN A 28 -4.862 25.696 11.365 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.670 27.608 12.592 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.896 26.986 9.617 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.955 28.018 10.557 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.580 29.454 8.837 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.264 27.847 8.574 1.00 0.00 H new ATOM 402 N SER A 29 -7.996 25.533 12.967 1.00 0.00 N ATOM 403 CA SER A 29 -8.812 24.355 13.208 1.00 0.00 C ATOM 404 C SER A 29 -10.027 24.361 12.277 1.00 0.00 C ATOM 405 O SER A 29 -11.164 24.453 12.736 1.00 0.00 O ATOM 406 CB SER A 29 -9.263 24.287 14.668 1.00 0.00 C ATOM 407 OG SER A 29 -8.307 23.624 15.492 1.00 0.00 O ATOM 0 H SER A 29 -8.008 26.221 13.720 1.00 0.00 H new ATOM 0 HA SER A 29 -8.208 23.472 13.001 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.427 25.297 15.044 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.218 23.765 14.729 1.00 0.00 H new ATOM 0 HG SER A 29 -8.631 23.603 16.417 1.00 0.00 H new ATOM 413 N GLY A 30 -9.744 24.262 10.987 1.00 0.00 N ATOM 414 CA GLY A 30 -10.799 24.255 9.988 1.00 0.00 C ATOM 415 C GLY A 30 -10.222 24.420 8.580 1.00 0.00 C ATOM 416 O GLY A 30 -10.758 23.873 7.618 1.00 0.00 O ATOM 0 H GLY A 30 -8.799 24.186 10.610 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.357 23.320 10.049 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.504 25.061 10.193 1.00 0.00 H new ATOM 420 N LYS A 31 -9.138 25.178 8.505 1.00 0.00 N ATOM 421 CA LYS A 31 -8.483 25.423 7.231 1.00 0.00 C ATOM 422 C LYS A 31 -7.611 24.218 6.872 1.00 0.00 C ATOM 423 O LYS A 31 -7.091 23.538 7.755 1.00 0.00 O ATOM 424 CB LYS A 31 -7.718 26.747 7.268 1.00 0.00 C ATOM 425 CG LYS A 31 -7.732 27.427 5.897 1.00 0.00 C ATOM 426 CD LYS A 31 -6.805 28.644 5.880 1.00 0.00 C ATOM 427 CE LYS A 31 -7.494 29.848 5.235 1.00 0.00 C ATOM 428 NZ LYS A 31 -7.138 29.943 3.801 1.00 0.00 N ATOM 0 H LYS A 31 -8.697 25.631 9.306 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.222 25.531 6.437 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.164 27.408 8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.689 26.568 7.579 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.420 26.717 5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.748 27.736 5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.507 28.893 6.898 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.894 28.404 5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.575 29.756 5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.199 30.762 5.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.614 30.766 3.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.108 30.052 3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.441 29.078 3.310 1.00 0.00 H new ATOM 442 N PHE A 32 -7.477 23.992 5.573 1.00 0.00 N ATOM 443 CA PHE A 32 -6.677 22.881 5.086 1.00 0.00 C ATOM 444 C PHE A 32 -5.593 23.368 4.122 1.00 0.00 C ATOM 445 O PHE A 32 -5.751 24.402 3.475 1.00 0.00 O ATOM 446 CB PHE A 32 -7.625 21.942 4.336 1.00 0.00 C ATOM 447 CG PHE A 32 -8.813 21.461 5.171 1.00 0.00 C ATOM 448 CD1 PHE A 32 -9.971 22.176 5.181 1.00 0.00 C ATOM 449 CD2 PHE A 32 -8.713 20.320 5.903 1.00 0.00 C ATOM 450 CE1 PHE A 32 -11.074 21.730 5.955 1.00 0.00 C ATOM 451 CE2 PHE A 32 -9.816 19.873 6.678 1.00 0.00 C ATOM 452 CZ PHE A 32 -10.973 20.588 6.688 1.00 0.00 C ATOM 0 H PHE A 32 -7.909 24.559 4.843 1.00 0.00 H new ATOM 0 HA PHE A 32 -6.186 22.382 5.921 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.000 22.453 3.450 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.063 21.075 3.990 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.051 23.083 4.600 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.794 19.753 5.895 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.993 22.297 5.962 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.736 18.966 7.259 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.812 20.249 7.278 1.00 0.00 H new ATOM 462 N LEU A 33 -4.515 22.599 4.057 1.00 0.00 N ATOM 463 CA LEU A 33 -3.405 22.939 3.184 1.00 0.00 C ATOM 464 C LEU A 33 -3.386 21.978 1.993 1.00 0.00 C ATOM 465 O LEU A 33 -3.043 20.806 2.143 1.00 0.00 O ATOM 466 CB LEU A 33 -2.094 22.970 3.971 1.00 0.00 C ATOM 467 CG LEU A 33 -1.968 24.075 5.022 1.00 0.00 C ATOM 468 CD1 LEU A 33 -0.513 24.518 5.180 1.00 0.00 C ATOM 469 CD2 LEU A 33 -2.894 25.249 4.697 1.00 0.00 C ATOM 0 H LEU A 33 -4.387 21.742 4.595 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.531 23.944 2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.969 22.008 4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.271 23.073 3.264 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.287 23.671 5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.452 25.304 5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.094 23.668 5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.143 24.898 4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.785 26.020 5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.630 25.662 3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.927 24.903 4.677 1.00 0.00 H new ATOM 481 N ARG A 34 -3.758 22.510 0.838 1.00 0.00 N ATOM 482 CA ARG A 34 -3.787 21.714 -0.377 1.00 0.00 C ATOM 483 C ARG A 34 -2.368 21.307 -0.779 1.00 0.00 C ATOM 484 O ARG A 34 -1.557 22.154 -1.148 1.00 0.00 O ATOM 485 CB ARG A 34 -4.434 22.488 -1.527 1.00 0.00 C ATOM 486 CG ARG A 34 -4.661 21.582 -2.739 1.00 0.00 C ATOM 487 CD ARG A 34 -3.988 22.156 -3.987 1.00 0.00 C ATOM 488 NE ARG A 34 -4.547 21.522 -5.201 1.00 0.00 N ATOM 489 CZ ARG A 34 -4.271 21.918 -6.451 1.00 0.00 C ATOM 490 NH1 ARG A 34 -3.442 22.950 -6.659 1.00 0.00 N ATOM 491 NH2 ARG A 34 -4.825 21.283 -7.493 1.00 0.00 N ATOM 0 H ARG A 34 -4.042 23.482 0.718 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.381 20.822 -0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.385 22.907 -1.198 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.797 23.326 -1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.265 20.587 -2.533 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.730 21.469 -2.918 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.139 23.235 -4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.912 21.986 -3.941 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.183 20.734 -5.079 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.021 23.434 -5.866 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.232 23.252 -7.610 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.457 20.498 -7.335 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.615 21.585 -8.444 1.00 0.00 H new ATOM 505 N ARG A 35 -2.113 20.009 -0.695 1.00 0.00 N ATOM 506 CA ARG A 35 -0.806 19.480 -1.045 1.00 0.00 C ATOM 507 C ARG A 35 -0.952 18.127 -1.745 1.00 0.00 C ATOM 508 O ARG A 35 -1.948 17.431 -1.557 1.00 0.00 O ATOM 509 CB ARG A 35 0.072 19.312 0.196 1.00 0.00 C ATOM 510 CG ARG A 35 0.163 20.620 0.984 1.00 0.00 C ATOM 511 CD ARG A 35 1.129 21.599 0.312 1.00 0.00 C ATOM 512 NE ARG A 35 1.329 22.785 1.174 1.00 0.00 N ATOM 513 CZ ARG A 35 0.486 23.825 1.227 1.00 0.00 C ATOM 514 NH1 ARG A 35 -0.619 23.832 0.469 1.00 0.00 N ATOM 515 NH2 ARG A 35 0.748 24.859 2.039 1.00 0.00 N ATOM 0 H ARG A 35 -2.789 19.309 -0.390 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.330 20.193 -1.718 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.338 18.528 0.832 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.071 18.992 -0.101 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.826 21.073 1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.497 20.414 2.001 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.085 21.109 0.126 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.734 21.906 -0.656 1.00 0.00 H new ATOM 0 HE ARG A 35 2.160 22.812 1.764 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.819 23.045 -0.149 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.260 24.624 0.510 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.589 24.854 2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.106 25.651 2.080 1.00 0.00 H new ATOM 529 N TYR A 36 0.057 17.795 -2.538 1.00 0.00 N ATOM 530 CA TYR A 36 0.053 16.538 -3.267 1.00 0.00 C ATOM 531 C TYR A 36 0.726 15.431 -2.453 1.00 0.00 C ATOM 532 O TYR A 36 1.920 15.506 -2.164 1.00 0.00 O ATOM 533 CB TYR A 36 0.866 16.786 -4.539 1.00 0.00 C ATOM 534 CG TYR A 36 0.655 15.731 -5.627 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.612 15.489 -6.117 1.00 0.00 C ATOM 536 CD2 TYR A 36 1.732 15.022 -6.119 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.811 14.497 -7.142 1.00 0.00 C ATOM 538 CE2 TYR A 36 1.534 14.029 -7.143 1.00 0.00 C ATOM 539 CZ TYR A 36 0.272 13.816 -7.604 1.00 0.00 C ATOM 540 OH TYR A 36 0.085 12.878 -8.571 1.00 0.00 O ATOM 0 H TYR A 36 0.882 18.375 -2.691 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.968 16.220 -3.479 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.604 17.765 -4.941 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.924 16.820 -4.281 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.455 16.044 -5.732 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.724 15.212 -5.736 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.797 14.298 -7.535 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.368 13.466 -7.536 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.628 12.264 -8.297 1.00 0.00 H new ATOM 550 N PHE A 37 -0.068 14.428 -2.106 1.00 0.00 N ATOM 551 CA PHE A 37 0.436 13.307 -1.332 1.00 0.00 C ATOM 552 C PHE A 37 0.763 12.118 -2.237 1.00 0.00 C ATOM 553 O PHE A 37 0.016 11.818 -3.167 1.00 0.00 O ATOM 554 CB PHE A 37 -0.672 12.902 -0.358 1.00 0.00 C ATOM 555 CG PHE A 37 -1.009 13.973 0.682 1.00 0.00 C ATOM 556 CD1 PHE A 37 -1.481 15.184 0.282 1.00 0.00 C ATOM 557 CD2 PHE A 37 -0.836 13.714 2.006 1.00 0.00 C ATOM 558 CE1 PHE A 37 -1.794 16.178 1.246 1.00 0.00 C ATOM 559 CE2 PHE A 37 -1.149 14.708 2.970 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.622 15.919 2.570 1.00 0.00 C ATOM 0 H PHE A 37 -1.057 14.369 -2.347 1.00 0.00 H new ATOM 0 HA PHE A 37 1.350 13.595 -0.812 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.572 12.666 -0.926 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.372 11.990 0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.618 15.390 -0.769 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.461 12.752 2.324 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.169 17.140 0.928 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.012 14.503 4.021 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.861 16.675 3.304 1.00 0.00 H new ATOM 570 N ILE A 38 1.881 11.474 -1.934 1.00 0.00 N ATOM 571 CA ILE A 38 2.315 10.324 -2.709 1.00 0.00 C ATOM 572 C ILE A 38 2.721 9.197 -1.757 1.00 0.00 C ATOM 573 O ILE A 38 3.733 9.298 -1.066 1.00 0.00 O ATOM 574 CB ILE A 38 3.418 10.726 -3.691 1.00 0.00 C ATOM 575 CG1 ILE A 38 2.843 11.521 -4.865 1.00 0.00 C ATOM 576 CG2 ILE A 38 4.208 9.502 -4.159 1.00 0.00 C ATOM 577 CD1 ILE A 38 3.950 12.247 -5.631 1.00 0.00 C ATOM 0 H ILE A 38 2.499 11.727 -1.163 1.00 0.00 H new ATOM 0 HA ILE A 38 1.496 9.946 -3.321 1.00 0.00 H new ATOM 0 HB ILE A 38 4.117 11.381 -3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.311 10.849 -5.538 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.116 12.245 -4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.985 9.815 -4.856 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.667 9.014 -3.299 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.535 8.803 -4.656 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.514 12.804 -6.460 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.464 12.936 -4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.662 11.519 -6.018 1.00 0.00 H new ATOM 589 N LEU A 39 1.910 8.149 -1.752 1.00 0.00 N ATOM 590 CA LEU A 39 2.172 7.004 -0.897 1.00 0.00 C ATOM 591 C LEU A 39 3.334 6.196 -1.476 1.00 0.00 C ATOM 592 O LEU A 39 3.176 5.509 -2.484 1.00 0.00 O ATOM 593 CB LEU A 39 0.895 6.186 -0.692 1.00 0.00 C ATOM 594 CG LEU A 39 0.904 5.215 0.490 1.00 0.00 C ATOM 595 CD1 LEU A 39 1.107 5.961 1.811 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.364 4.358 0.505 1.00 0.00 C ATOM 0 H LEU A 39 1.071 8.069 -2.327 1.00 0.00 H new ATOM 0 HA LEU A 39 2.476 7.332 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.061 6.876 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.701 5.618 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 39 1.749 4.538 0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.109 5.248 2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.059 6.491 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.297 6.677 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.332 3.676 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.238 5.003 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.426 3.783 -0.419 1.00 0.00 H new ATOM 608 N ASP A 40 4.477 6.304 -0.814 1.00 0.00 N ATOM 609 CA ASP A 40 5.666 5.592 -1.250 1.00 0.00 C ATOM 610 C ASP A 40 5.978 4.473 -0.255 1.00 0.00 C ATOM 611 O ASP A 40 6.158 4.727 0.935 1.00 0.00 O ATOM 612 CB ASP A 40 6.877 6.525 -1.308 1.00 0.00 C ATOM 613 CG ASP A 40 8.043 6.018 -2.158 1.00 0.00 C ATOM 614 OD1 ASP A 40 8.161 4.780 -2.279 1.00 0.00 O ATOM 615 OD2 ASP A 40 8.791 6.881 -2.667 1.00 0.00 O ATOM 0 H ASP A 40 4.605 6.875 0.022 1.00 0.00 H new ATOM 0 HA ASP A 40 5.473 5.191 -2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.555 7.490 -1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.234 6.696 -0.292 1.00 0.00 H new ATOM 620 N THR A 41 6.033 3.257 -0.779 1.00 0.00 N ATOM 621 CA THR A 41 6.321 2.098 0.049 1.00 0.00 C ATOM 622 C THR A 41 7.832 1.904 0.189 1.00 0.00 C ATOM 623 O THR A 41 8.307 1.411 1.211 1.00 0.00 O ATOM 624 CB THR A 41 5.608 0.891 -0.563 1.00 0.00 C ATOM 625 OG1 THR A 41 6.411 0.547 -1.689 1.00 0.00 O ATOM 626 CG2 THR A 41 4.253 1.258 -1.171 1.00 0.00 C ATOM 0 H THR A 41 5.883 3.049 -1.766 1.00 0.00 H new ATOM 0 HA THR A 41 5.947 2.235 1.064 1.00 0.00 H new ATOM 0 HB THR A 41 5.468 0.127 0.201 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.021 -0.229 -2.144 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.789 0.366 -1.591 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.607 1.672 -0.397 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.396 1.998 -1.958 1.00 0.00 H new ATOM 634 N GLN A 42 8.546 2.302 -0.854 1.00 0.00 N ATOM 635 CA GLN A 42 9.994 2.179 -0.860 1.00 0.00 C ATOM 636 C GLN A 42 10.604 3.019 0.264 1.00 0.00 C ATOM 637 O GLN A 42 11.504 2.562 0.966 1.00 0.00 O ATOM 638 CB GLN A 42 10.572 2.579 -2.219 1.00 0.00 C ATOM 639 CG GLN A 42 10.039 1.673 -3.330 1.00 0.00 C ATOM 640 CD GLN A 42 11.072 0.611 -3.716 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.092 -0.491 -3.193 1.00 0.00 O ATOM 642 NE2 GLN A 42 11.926 1.004 -4.657 1.00 0.00 N ATOM 0 H GLN A 42 8.149 2.710 -1.700 1.00 0.00 H new ATOM 0 HA GLN A 42 10.251 1.134 -0.686 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.316 3.616 -2.436 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.660 2.520 -2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.120 1.188 -2.999 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.786 2.274 -4.204 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.853 1.941 -5.053 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.654 0.368 -4.983 1.00 0.00 H new ATOM 651 N ALA A 43 10.088 4.232 0.399 1.00 0.00 N ATOM 652 CA ALA A 43 10.571 5.139 1.426 1.00 0.00 C ATOM 653 C ALA A 43 9.981 4.733 2.778 1.00 0.00 C ATOM 654 O ALA A 43 10.567 5.010 3.823 1.00 0.00 O ATOM 655 CB ALA A 43 10.215 6.578 1.044 1.00 0.00 C ATOM 0 H ALA A 43 9.341 4.607 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 43 11.656 5.082 1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.577 7.259 1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.681 6.827 0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.133 6.674 0.955 1.00 0.00 H new ATOM 661 N ASN A 44 8.829 4.081 2.713 1.00 0.00 N ATOM 662 CA ASN A 44 8.154 3.634 3.920 1.00 0.00 C ATOM 663 C ASN A 44 7.719 4.852 4.737 1.00 0.00 C ATOM 664 O ASN A 44 7.585 4.769 5.957 1.00 0.00 O ATOM 665 CB ASN A 44 9.085 2.787 4.790 1.00 0.00 C ATOM 666 CG ASN A 44 8.311 2.111 5.923 1.00 0.00 C ATOM 667 OD1 ASN A 44 7.099 2.211 6.029 1.00 0.00 O ATOM 668 ND2 ASN A 44 9.076 1.419 6.763 1.00 0.00 N ATOM 0 H ASN A 44 8.346 3.852 1.844 1.00 0.00 H new ATOM 0 HA ASN A 44 7.294 3.034 3.623 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.574 2.030 4.176 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.872 3.416 5.207 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.654 0.931 7.553 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.085 1.376 6.617 1.00 0.00 H new ATOM 675 N CYS A 45 7.512 5.954 4.033 1.00 0.00 N ATOM 676 CA CYS A 45 7.095 7.188 4.678 1.00 0.00 C ATOM 677 C CYS A 45 6.226 7.975 3.695 1.00 0.00 C ATOM 678 O CYS A 45 6.394 7.859 2.483 1.00 0.00 O ATOM 679 CB CYS A 45 8.294 8.006 5.162 1.00 0.00 C ATOM 680 SG CYS A 45 9.560 6.897 5.881 1.00 0.00 S ATOM 0 H CYS A 45 7.625 6.019 3.021 1.00 0.00 H new ATOM 0 HA CYS A 45 6.513 6.956 5.570 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.721 8.568 4.331 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.971 8.734 5.906 1.00 0.00 H new ATOM 0 HG CYS A 45 10.124 6.209 4.933 1.00 0.00 H new ATOM 686 N LEU A 46 5.315 8.757 4.256 1.00 0.00 N ATOM 687 CA LEU A 46 4.419 9.563 3.444 1.00 0.00 C ATOM 688 C LEU A 46 5.014 10.962 3.272 1.00 0.00 C ATOM 689 O LEU A 46 5.356 11.620 4.253 1.00 0.00 O ATOM 690 CB LEU A 46 3.010 9.563 4.040 1.00 0.00 C ATOM 691 CG LEU A 46 1.917 10.196 3.177 1.00 0.00 C ATOM 692 CD1 LEU A 46 2.323 11.598 2.720 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.556 9.291 1.997 1.00 0.00 C ATOM 0 H LEU A 46 5.178 8.850 5.263 1.00 0.00 H new ATOM 0 HA LEU A 46 4.318 9.134 2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.727 8.532 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.041 10.088 4.995 1.00 0.00 H new ATOM 0 HG LEU A 46 1.020 10.303 3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.529 12.026 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.490 12.231 3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.240 11.538 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.777 9.765 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.439 9.130 1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.195 8.333 2.371 1.00 0.00 H new ATOM 705 N LEU A 47 5.118 11.375 2.017 1.00 0.00 N ATOM 706 CA LEU A 47 5.665 12.685 1.704 1.00 0.00 C ATOM 707 C LEU A 47 4.711 13.419 0.760 1.00 0.00 C ATOM 708 O LEU A 47 4.426 12.941 -0.336 1.00 0.00 O ATOM 709 CB LEU A 47 7.089 12.554 1.158 1.00 0.00 C ATOM 710 CG LEU A 47 7.994 11.553 1.880 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.962 10.885 0.901 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.727 12.218 3.046 1.00 0.00 C ATOM 0 H LEU A 47 4.833 10.826 1.206 1.00 0.00 H new ATOM 0 HA LEU A 47 5.748 13.289 2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.030 12.268 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.563 13.535 1.195 1.00 0.00 H new ATOM 0 HG LEU A 47 7.367 10.767 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.594 10.178 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.396 10.355 0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.586 11.645 0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.363 11.485 3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.341 13.036 2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.000 12.608 3.758 1.00 0.00 H new ATOM 724 N TRP A 48 4.243 14.570 1.222 1.00 0.00 N ATOM 725 CA TRP A 48 3.326 15.375 0.433 1.00 0.00 C ATOM 726 C TRP A 48 4.078 16.620 -0.041 1.00 0.00 C ATOM 727 O TRP A 48 4.754 17.279 0.747 1.00 0.00 O ATOM 728 CB TRP A 48 2.063 15.707 1.229 1.00 0.00 C ATOM 729 CG TRP A 48 2.324 16.518 2.500 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.499 17.842 2.613 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.433 16.001 3.843 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.712 18.214 3.924 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.670 17.059 4.696 1.00 0.00 C ATOM 734 CE3 TRP A 48 2.334 14.682 4.321 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.829 16.909 6.079 1.00 0.00 C ATOM 736 CZ3 TRP A 48 2.495 14.549 5.706 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.735 15.604 6.578 1.00 0.00 C ATOM 0 H TRP A 48 4.482 14.964 2.132 1.00 0.00 H new ATOM 0 HA TRP A 48 2.982 14.822 -0.441 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.378 16.264 0.589 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.562 14.778 1.500 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.476 18.531 1.782 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.871 19.162 4.264 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.149 13.839 3.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 3.014 17.754 6.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.428 13.556 6.126 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.849 15.418 7.636 1.00 0.00 H new ATOM 748 N TYR A 49 3.935 16.905 -1.327 1.00 0.00 N ATOM 749 CA TYR A 49 4.593 18.059 -1.916 1.00 0.00 C ATOM 750 C TYR A 49 3.573 19.132 -2.304 1.00 0.00 C ATOM 751 O TYR A 49 2.428 18.819 -2.624 1.00 0.00 O ATOM 752 CB TYR A 49 5.286 17.550 -3.181 1.00 0.00 C ATOM 753 CG TYR A 49 5.887 16.150 -3.041 1.00 0.00 C ATOM 754 CD1 TYR A 49 6.355 15.720 -1.816 1.00 0.00 C ATOM 755 CD2 TYR A 49 5.962 15.318 -4.140 1.00 0.00 C ATOM 756 CE1 TYR A 49 6.921 14.403 -1.684 1.00 0.00 C ATOM 757 CE2 TYR A 49 6.529 14.001 -4.008 1.00 0.00 C ATOM 758 CZ TYR A 49 6.980 13.608 -2.787 1.00 0.00 C ATOM 759 OH TYR A 49 7.515 12.364 -2.662 1.00 0.00 O ATOM 0 H TYR A 49 3.373 16.356 -1.978 1.00 0.00 H new ATOM 0 HA TYR A 49 5.291 18.505 -1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.567 17.545 -4.000 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.077 18.248 -3.455 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.297 16.371 -0.957 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.596 15.655 -5.098 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.290 14.054 -0.731 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.595 13.340 -4.860 1.00 0.00 H new ATOM 0 HH TYR A 49 7.491 11.909 -3.530 1.00 0.00 H new ATOM 769 N MET A 50 4.027 20.377 -2.261 1.00 0.00 N ATOM 770 CA MET A 50 3.169 21.498 -2.604 1.00 0.00 C ATOM 771 C MET A 50 2.327 21.185 -3.843 1.00 0.00 C ATOM 772 O MET A 50 1.137 21.497 -3.884 1.00 0.00 O ATOM 773 CB MET A 50 4.028 22.736 -2.869 1.00 0.00 C ATOM 774 CG MET A 50 4.743 23.190 -1.595 1.00 0.00 C ATOM 775 SD MET A 50 3.557 23.823 -0.421 1.00 0.00 S ATOM 776 CE MET A 50 2.930 25.221 -1.336 1.00 0.00 C ATOM 0 H MET A 50 4.977 20.633 -1.994 1.00 0.00 H new ATOM 0 HA MET A 50 2.495 21.685 -1.768 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.763 22.514 -3.643 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.401 23.544 -3.246 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.289 22.354 -1.158 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.476 23.960 -1.835 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.754 26.053 -0.654 1.00 0.00 H new ATOM 0 HE2 MET A 50 3.658 25.518 -2.091 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.994 24.947 -1.823 1.00 0.00 H new ATOM 786 N ASP A 51 2.977 20.574 -4.822 1.00 0.00 N ATOM 787 CA ASP A 51 2.303 20.216 -6.058 1.00 0.00 C ATOM 788 C ASP A 51 2.988 18.993 -6.672 1.00 0.00 C ATOM 789 O ASP A 51 4.052 18.579 -6.214 1.00 0.00 O ATOM 790 CB ASP A 51 2.374 21.357 -7.075 1.00 0.00 C ATOM 791 CG ASP A 51 1.023 21.956 -7.470 1.00 0.00 C ATOM 792 OD1 ASP A 51 0.000 21.364 -7.066 1.00 0.00 O ATOM 793 OD2 ASP A 51 1.045 22.993 -8.168 1.00 0.00 O ATOM 0 H ASP A 51 3.964 20.318 -4.784 1.00 0.00 H new ATOM 0 HA ASP A 51 1.259 20.006 -5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.000 22.150 -6.666 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.869 20.992 -7.975 1.00 0.00 H new ATOM 798 N ASN A 52 2.349 18.450 -7.698 1.00 0.00 N ATOM 799 CA ASN A 52 2.884 17.283 -8.378 1.00 0.00 C ATOM 800 C ASN A 52 4.361 17.518 -8.702 1.00 0.00 C ATOM 801 O ASN A 52 4.745 18.615 -9.103 1.00 0.00 O ATOM 802 CB ASN A 52 2.147 17.027 -9.695 1.00 0.00 C ATOM 803 CG ASN A 52 0.631 17.049 -9.487 1.00 0.00 C ATOM 804 OD1 ASN A 52 -0.016 17.867 -10.313 1.00 0.00 O flip ATOM 805 ND2 ASN A 52 0.085 16.368 -8.635 1.00 0.00 N flip ATOM 0 H ASN A 52 1.467 18.796 -8.074 1.00 0.00 H new ATOM 0 HA ASN A 52 2.758 16.423 -7.720 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.428 17.784 -10.427 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.448 16.062 -10.103 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.642 15.761 -8.033 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.928 16.406 -8.524 1.00 0.00 H new ATOM 812 N PRO A 53 5.169 16.441 -8.510 1.00 0.00 N ATOM 813 CA PRO A 53 6.595 16.519 -8.776 1.00 0.00 C ATOM 814 C PRO A 53 6.874 16.504 -10.281 1.00 0.00 C ATOM 815 O PRO A 53 8.020 16.640 -10.705 1.00 0.00 O ATOM 816 CB PRO A 53 7.198 15.328 -8.049 1.00 0.00 C ATOM 817 CG PRO A 53 6.046 14.371 -7.792 1.00 0.00 C ATOM 818 CD PRO A 53 4.749 15.126 -8.036 1.00 0.00 C ATOM 0 HA PRO A 53 7.038 17.450 -8.422 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.973 14.854 -8.651 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.666 15.637 -7.114 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.114 13.506 -8.452 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.083 13.996 -6.769 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.128 14.619 -8.775 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.159 15.204 -7.123 1.00 0.00 H new ATOM 826 N GLN A 54 5.805 16.338 -11.046 1.00 0.00 N ATOM 827 CA GLN A 54 5.920 16.303 -12.494 1.00 0.00 C ATOM 828 C GLN A 54 6.078 17.720 -13.048 1.00 0.00 C ATOM 829 O GLN A 54 6.525 17.902 -14.180 1.00 0.00 O ATOM 830 CB GLN A 54 4.715 15.600 -13.123 1.00 0.00 C ATOM 831 CG GLN A 54 3.468 16.484 -13.057 1.00 0.00 C ATOM 832 CD GLN A 54 2.340 15.906 -13.913 1.00 0.00 C ATOM 833 OE1 GLN A 54 2.547 15.066 -14.774 1.00 0.00 O ATOM 834 NE2 GLN A 54 1.138 16.400 -13.631 1.00 0.00 N ATOM 0 H GLN A 54 4.856 16.226 -10.690 1.00 0.00 H new ATOM 0 HA GLN A 54 6.810 15.730 -12.754 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.935 15.353 -14.161 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.527 14.660 -12.604 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.135 16.573 -12.023 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.712 17.489 -13.401 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.034 17.101 -12.898 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.320 16.077 -14.148 1.00 0.00 H new ATOM 843 N ASN A 55 5.704 18.688 -12.225 1.00 0.00 N ATOM 844 CA ASN A 55 5.799 20.084 -12.619 1.00 0.00 C ATOM 845 C ASN A 55 6.889 20.769 -11.793 1.00 0.00 C ATOM 846 O ASN A 55 7.356 21.850 -12.149 1.00 0.00 O ATOM 847 CB ASN A 55 4.481 20.819 -12.365 1.00 0.00 C ATOM 848 CG ASN A 55 3.684 20.978 -13.661 1.00 0.00 C ATOM 849 OD1 ASN A 55 3.858 21.921 -14.415 1.00 0.00 O ATOM 850 ND2 ASN A 55 2.802 20.006 -13.877 1.00 0.00 N ATOM 0 H ASN A 55 5.335 18.534 -11.287 1.00 0.00 H new ATOM 0 HA ASN A 55 6.032 20.119 -13.683 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.888 20.268 -11.634 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.684 21.800 -11.936 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.221 20.022 -14.715 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.707 19.245 -13.205 1.00 0.00 H new ATOM 857 N LEU A 56 7.262 20.113 -10.704 1.00 0.00 N ATOM 858 CA LEU A 56 8.289 20.646 -9.824 1.00 0.00 C ATOM 859 C LEU A 56 9.649 20.553 -10.519 1.00 0.00 C ATOM 860 O LEU A 56 9.724 20.224 -11.702 1.00 0.00 O ATOM 861 CB LEU A 56 8.245 19.946 -8.464 1.00 0.00 C ATOM 862 CG LEU A 56 7.034 20.265 -7.585 1.00 0.00 C ATOM 863 CD1 LEU A 56 7.058 19.438 -6.298 1.00 0.00 C ATOM 864 CD2 LEU A 56 6.942 21.765 -7.301 1.00 0.00 C ATOM 0 H LEU A 56 6.872 19.217 -10.411 1.00 0.00 H new ATOM 0 HA LEU A 56 8.106 21.701 -9.620 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.275 18.869 -8.631 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.148 20.208 -7.913 1.00 0.00 H new ATOM 0 HG LEU A 56 6.133 19.985 -8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.187 19.684 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.039 18.377 -6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.965 19.663 -5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.073 21.964 -6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.844 22.094 -6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.844 22.308 -8.241 1.00 0.00 H new ATOM 876 N ALA A 57 10.690 20.849 -9.755 1.00 0.00 N ATOM 877 CA ALA A 57 12.043 20.803 -10.283 1.00 0.00 C ATOM 878 C ALA A 57 12.681 19.460 -9.923 1.00 0.00 C ATOM 879 O ALA A 57 12.086 18.660 -9.202 1.00 0.00 O ATOM 880 CB ALA A 57 12.842 21.991 -9.743 1.00 0.00 C ATOM 0 H ALA A 57 10.624 21.122 -8.774 1.00 0.00 H new ATOM 0 HA ALA A 57 12.034 20.883 -11.370 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.857 21.957 -10.139 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.364 22.921 -10.050 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.875 21.943 -8.655 1.00 0.00 H new ATOM 886 N VAL A 58 13.882 19.254 -10.442 1.00 0.00 N ATOM 887 CA VAL A 58 14.607 18.021 -10.185 1.00 0.00 C ATOM 888 C VAL A 58 14.980 17.954 -8.703 1.00 0.00 C ATOM 889 O VAL A 58 14.925 16.887 -8.093 1.00 0.00 O ATOM 890 CB VAL A 58 15.820 17.925 -11.112 1.00 0.00 C ATOM 891 CG1 VAL A 58 16.529 19.275 -11.230 1.00 0.00 C ATOM 892 CG2 VAL A 58 16.787 16.837 -10.639 1.00 0.00 C ATOM 0 H VAL A 58 14.372 19.920 -11.039 1.00 0.00 H new ATOM 0 HA VAL A 58 13.980 17.156 -10.402 1.00 0.00 H new ATOM 0 HB VAL A 58 15.462 17.647 -12.103 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.387 19.178 -11.895 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.838 20.015 -11.635 1.00 0.00 H new ATOM 0 HG13 VAL A 58 16.867 19.596 -10.245 1.00 0.00 H new ATOM 0 HG21 VAL A 58 17.640 16.790 -11.315 1.00 0.00 H new ATOM 0 HG22 VAL A 58 17.134 17.071 -9.633 1.00 0.00 H new ATOM 0 HG23 VAL A 58 16.276 15.874 -10.632 1.00 0.00 H new ATOM 902 N GLY A 59 15.352 19.107 -8.166 1.00 0.00 N ATOM 903 CA GLY A 59 15.734 19.192 -6.767 1.00 0.00 C ATOM 904 C GLY A 59 14.517 19.467 -5.882 1.00 0.00 C ATOM 905 O GLY A 59 14.629 20.137 -4.856 1.00 0.00 O ATOM 0 H GLY A 59 15.397 19.990 -8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.209 18.261 -6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.471 19.985 -6.635 1.00 0.00 H new ATOM 909 N ALA A 60 13.381 18.935 -6.310 1.00 0.00 N ATOM 910 CA ALA A 60 12.144 19.114 -5.569 1.00 0.00 C ATOM 911 C ALA A 60 12.309 18.536 -4.162 1.00 0.00 C ATOM 912 O ALA A 60 13.321 17.904 -3.862 1.00 0.00 O ATOM 913 CB ALA A 60 10.991 18.463 -6.336 1.00 0.00 C ATOM 0 H ALA A 60 13.292 18.380 -7.161 1.00 0.00 H new ATOM 0 HA ALA A 60 11.909 20.173 -5.464 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.063 18.597 -5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.897 18.929 -7.317 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.190 17.398 -6.458 1.00 0.00 H new ATOM 919 N GLY A 61 11.300 18.773 -3.338 1.00 0.00 N ATOM 920 CA GLY A 61 11.320 18.283 -1.970 1.00 0.00 C ATOM 921 C GLY A 61 9.910 17.934 -1.491 1.00 0.00 C ATOM 922 O GLY A 61 9.030 17.643 -2.300 1.00 0.00 O ATOM 0 H GLY A 61 10.463 19.298 -3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.958 17.402 -1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.753 19.039 -1.316 1.00 0.00 H new ATOM 926 N ALA A 62 9.738 17.975 -0.178 1.00 0.00 N ATOM 927 CA ALA A 62 8.449 17.666 0.418 1.00 0.00 C ATOM 928 C ALA A 62 8.083 18.759 1.425 1.00 0.00 C ATOM 929 O ALA A 62 8.953 19.292 2.111 1.00 0.00 O ATOM 930 CB ALA A 62 8.501 16.277 1.058 1.00 0.00 C ATOM 0 H ALA A 62 10.470 18.217 0.490 1.00 0.00 H new ATOM 0 HA ALA A 62 7.669 17.644 -0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.534 16.046 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.736 15.534 0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 62 9.271 16.261 1.830 1.00 0.00 H new ATOM 936 N VAL A 63 6.794 19.059 1.481 1.00 0.00 N ATOM 937 CA VAL A 63 6.302 20.078 2.393 1.00 0.00 C ATOM 938 C VAL A 63 6.343 19.539 3.824 1.00 0.00 C ATOM 939 O VAL A 63 6.560 20.294 4.770 1.00 0.00 O ATOM 940 CB VAL A 63 4.905 20.532 1.965 1.00 0.00 C ATOM 941 CG1 VAL A 63 4.615 21.952 2.458 1.00 0.00 C ATOM 942 CG2 VAL A 63 4.737 20.433 0.448 1.00 0.00 C ATOM 0 H VAL A 63 6.075 18.615 0.910 1.00 0.00 H new ATOM 0 HA VAL A 63 6.941 20.961 2.360 1.00 0.00 H new ATOM 0 HB VAL A 63 4.179 19.862 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.616 22.250 2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.673 21.978 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.350 22.640 2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.735 20.762 0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.476 21.067 -0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.880 19.399 0.133 1.00 0.00 H new ATOM 952 N GLY A 64 6.132 18.236 3.938 1.00 0.00 N ATOM 953 CA GLY A 64 6.142 17.586 5.238 1.00 0.00 C ATOM 954 C GLY A 64 6.623 16.138 5.124 1.00 0.00 C ATOM 955 O GLY A 64 7.454 15.822 4.274 1.00 0.00 O ATOM 0 H GLY A 64 5.953 17.612 3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.792 18.136 5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.140 17.607 5.667 1.00 0.00 H new ATOM 959 N SER A 65 6.079 15.298 5.992 1.00 0.00 N ATOM 960 CA SER A 65 6.443 13.891 5.999 1.00 0.00 C ATOM 961 C SER A 65 5.678 13.159 7.104 1.00 0.00 C ATOM 962 O SER A 65 5.371 13.742 8.142 1.00 0.00 O ATOM 963 CB SER A 65 7.950 13.712 6.189 1.00 0.00 C ATOM 964 OG SER A 65 8.407 14.289 7.410 1.00 0.00 O ATOM 0 H SER A 65 5.389 15.564 6.695 1.00 0.00 H new ATOM 0 HA SER A 65 6.173 13.463 5.033 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.193 12.650 6.177 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.478 14.169 5.352 1.00 0.00 H new ATOM 0 HG SER A 65 9.374 14.152 7.495 1.00 0.00 H new ATOM 970 N LEU A 66 5.393 11.892 6.843 1.00 0.00 N ATOM 971 CA LEU A 66 4.670 11.074 7.802 1.00 0.00 C ATOM 972 C LEU A 66 5.234 9.652 7.780 1.00 0.00 C ATOM 973 O LEU A 66 4.843 8.838 6.945 1.00 0.00 O ATOM 974 CB LEU A 66 3.165 11.143 7.537 1.00 0.00 C ATOM 975 CG LEU A 66 2.330 11.872 8.593 1.00 0.00 C ATOM 976 CD1 LEU A 66 0.868 11.980 8.157 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.473 11.203 9.962 1.00 0.00 C ATOM 0 H LEU A 66 5.650 11.411 5.981 1.00 0.00 H new ATOM 0 HA LEU A 66 4.810 11.457 8.813 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.008 11.633 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.786 10.125 7.442 1.00 0.00 H new ATOM 0 HG LEU A 66 2.712 12.888 8.690 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.297 12.502 8.925 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.808 12.534 7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.456 10.981 8.015 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.870 11.740 10.694 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.132 10.170 9.899 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.519 11.222 10.269 1.00 0.00 H new ATOM 989 N GLN A 67 6.144 9.397 8.709 1.00 0.00 N ATOM 990 CA GLN A 67 6.766 8.087 8.807 1.00 0.00 C ATOM 991 C GLN A 67 5.715 7.024 9.136 1.00 0.00 C ATOM 992 O GLN A 67 5.107 7.058 10.205 1.00 0.00 O ATOM 993 CB GLN A 67 7.888 8.090 9.847 1.00 0.00 C ATOM 994 CG GLN A 67 9.022 9.027 9.427 1.00 0.00 C ATOM 995 CD GLN A 67 8.851 10.411 10.056 1.00 0.00 C ATOM 996 OE1 GLN A 67 8.312 11.312 9.240 1.00 0.00 O flip ATOM 997 NE2 GLN A 67 9.186 10.645 11.205 1.00 0.00 N flip ATOM 0 H GLN A 67 6.465 10.075 9.400 1.00 0.00 H new ATOM 0 HA GLN A 67 7.211 7.844 7.842 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.492 8.403 10.813 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.275 7.079 9.973 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.980 8.603 9.728 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.041 9.117 8.341 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.594 9.906 11.778 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.058 11.579 11.593 1.00 0.00 H new ATOM 1006 N LEU A 68 5.535 6.106 8.199 1.00 0.00 N ATOM 1007 CA LEU A 68 4.569 5.035 8.376 1.00 0.00 C ATOM 1008 C LEU A 68 4.739 4.426 9.769 1.00 0.00 C ATOM 1009 O LEU A 68 3.785 3.905 10.343 1.00 0.00 O ATOM 1010 CB LEU A 68 4.685 4.016 7.240 1.00 0.00 C ATOM 1011 CG LEU A 68 4.428 4.551 5.830 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.507 3.428 4.794 1.00 0.00 C ATOM 1013 CD2 LEU A 68 3.096 5.301 5.762 1.00 0.00 C ATOM 0 H LEU A 68 6.042 6.081 7.314 1.00 0.00 H new ATOM 0 HA LEU A 68 3.553 5.425 8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.686 3.584 7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.983 3.205 7.433 1.00 0.00 H new ATOM 0 HG LEU A 68 5.213 5.267 5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.320 3.836 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.499 2.977 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.758 2.670 5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.938 5.671 4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.284 4.626 6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.116 6.141 6.456 1.00 0.00 H new ATOM 1025 N THR A 69 5.962 4.511 10.272 1.00 0.00 N ATOM 1026 CA THR A 69 6.270 3.974 11.586 1.00 0.00 C ATOM 1027 C THR A 69 5.272 4.497 12.622 1.00 0.00 C ATOM 1028 O THR A 69 5.088 3.887 13.675 1.00 0.00 O ATOM 1029 CB THR A 69 7.723 4.325 11.912 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.773 5.744 11.795 1.00 0.00 O ATOM 1031 CG2 THR A 69 8.699 3.828 10.843 1.00 0.00 C ATOM 0 H THR A 69 6.751 4.944 9.793 1.00 0.00 H new ATOM 0 HA THR A 69 6.171 2.889 11.603 1.00 0.00 H new ATOM 0 HB THR A 69 7.992 3.896 12.877 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.583 6.151 12.666 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.716 4.103 11.123 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.626 2.744 10.760 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.451 4.283 9.884 1.00 0.00 H new ATOM 1039 N TYR A 70 4.654 5.620 12.288 1.00 0.00 N ATOM 1040 CA TYR A 70 3.680 6.231 13.176 1.00 0.00 C ATOM 1041 C TYR A 70 2.278 5.679 12.914 1.00 0.00 C ATOM 1042 O TYR A 70 1.660 5.097 13.805 1.00 0.00 O ATOM 1043 CB TYR A 70 3.695 7.727 12.853 1.00 0.00 C ATOM 1044 CG TYR A 70 4.890 8.479 13.442 1.00 0.00 C ATOM 1045 CD1 TYR A 70 6.163 8.224 12.976 1.00 0.00 C ATOM 1046 CD2 TYR A 70 4.693 9.412 14.440 1.00 0.00 C ATOM 1047 CE1 TYR A 70 7.288 8.932 13.531 1.00 0.00 C ATOM 1048 CE2 TYR A 70 5.818 10.120 14.995 1.00 0.00 C ATOM 1049 CZ TYR A 70 7.060 9.845 14.513 1.00 0.00 C ATOM 1050 OH TYR A 70 8.122 10.514 15.037 1.00 0.00 O ATOM 0 H TYR A 70 4.809 6.123 11.414 1.00 0.00 H new ATOM 0 HA TYR A 70 3.928 6.026 14.217 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.696 7.854 11.770 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.775 8.178 13.226 1.00 0.00 H new ATOM 0 HD1 TYR A 70 6.316 7.494 12.195 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.696 9.611 14.804 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.290 8.742 13.175 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.679 10.853 15.776 1.00 0.00 H new ATOM 0 HH TYR A 70 7.809 11.135 15.728 1.00 0.00 H new ATOM 1060 N ILE A 71 1.816 5.880 11.689 1.00 0.00 N ATOM 1061 CA ILE A 71 0.498 5.410 11.299 1.00 0.00 C ATOM 1062 C ILE A 71 0.258 4.023 11.899 1.00 0.00 C ATOM 1063 O ILE A 71 1.168 3.196 11.942 1.00 0.00 O ATOM 1064 CB ILE A 71 0.340 5.458 9.778 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.348 6.901 9.271 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -0.914 4.702 9.333 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.638 7.206 8.506 1.00 0.00 C ATOM 0 H ILE A 71 2.331 6.362 10.953 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.274 6.068 11.697 1.00 0.00 H new ATOM 0 HB ILE A 71 1.197 4.954 9.330 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.512 7.067 8.622 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.249 7.587 10.113 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.003 4.752 8.248 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.840 3.660 9.644 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.794 5.155 9.790 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.618 8.238 8.156 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.494 7.062 9.165 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.721 6.535 7.651 1.00 0.00 H new ATOM 1079 N SER A 72 -0.971 3.810 12.346 1.00 0.00 N ATOM 1080 CA SER A 72 -1.342 2.538 12.941 1.00 0.00 C ATOM 1081 C SER A 72 -2.550 1.950 12.209 1.00 0.00 C ATOM 1082 O SER A 72 -2.595 0.750 11.942 1.00 0.00 O ATOM 1083 CB SER A 72 -1.649 2.695 14.431 1.00 0.00 C ATOM 1084 OG SER A 72 -1.899 1.441 15.060 1.00 0.00 O ATOM 0 H SER A 72 -1.723 4.498 12.308 1.00 0.00 H new ATOM 0 HA SER A 72 -0.498 1.856 12.842 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.810 3.187 14.924 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.517 3.343 14.556 1.00 0.00 H new ATOM 0 HG SER A 72 -2.089 1.584 16.011 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.500 2.823 11.906 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.705 2.405 11.210 1.00 0.00 C ATOM 1092 C LYS A 73 -5.280 3.593 10.437 1.00 0.00 C ATOM 1093 O LYS A 73 -5.152 4.739 10.868 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.695 1.769 12.188 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.114 1.781 11.616 1.00 0.00 C ATOM 1096 CD LYS A 73 -7.922 0.587 12.129 1.00 0.00 C ATOM 1097 CE LYS A 73 -8.582 0.907 13.471 1.00 0.00 C ATOM 1098 NZ LYS A 73 -8.137 -0.050 14.509 1.00 0.00 N ATOM 0 H LYS A 73 -3.459 3.817 12.130 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.474 1.631 10.479 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.393 0.743 12.401 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.676 2.310 13.134 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.614 2.709 11.893 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.071 1.755 10.527 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.686 0.320 11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.269 -0.279 12.238 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.330 1.924 13.773 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.666 0.864 13.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.595 0.182 15.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.399 -1.016 14.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.104 0.011 14.618 1.00 0.00 H new ATOM 1112 N VAL A 74 -5.902 3.281 9.310 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.498 4.309 8.474 1.00 0.00 C ATOM 1114 C VAL A 74 -7.963 3.958 8.208 1.00 0.00 C ATOM 1115 O VAL A 74 -8.261 3.130 7.349 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.681 4.477 7.191 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.191 5.663 6.368 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.192 4.628 7.505 1.00 0.00 C ATOM 0 H VAL A 74 -6.006 2.330 8.956 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.482 5.273 8.983 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.807 3.575 6.593 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.594 5.761 5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.234 5.497 6.099 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.109 6.577 6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.634 4.746 6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.040 5.506 8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.839 3.740 8.030 1.00 0.00 H new ATOM 1128 N SER A 75 -8.840 4.606 8.961 1.00 0.00 N ATOM 1129 CA SER A 75 -10.267 4.373 8.818 1.00 0.00 C ATOM 1130 C SER A 75 -10.973 5.674 8.429 1.00 0.00 C ATOM 1131 O SER A 75 -10.400 6.755 8.552 1.00 0.00 O ATOM 1132 CB SER A 75 -10.865 3.809 10.108 1.00 0.00 C ATOM 1133 OG SER A 75 -12.268 3.585 9.993 1.00 0.00 O ATOM 0 H SER A 75 -8.589 5.293 9.672 1.00 0.00 H new ATOM 0 HA SER A 75 -10.416 3.636 8.029 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.368 2.872 10.359 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.674 4.501 10.929 1.00 0.00 H new ATOM 0 HG SER A 75 -12.612 3.223 10.836 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.206 5.525 7.968 1.00 0.00 N ATOM 1140 CA ILE A 76 -12.996 6.675 7.561 1.00 0.00 C ATOM 1141 C ILE A 76 -13.528 7.389 8.805 1.00 0.00 C ATOM 1142 O ILE A 76 -14.032 6.747 9.726 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.091 6.252 6.579 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.527 5.335 5.491 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.800 7.472 5.990 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.314 5.973 4.812 1.00 0.00 C ATOM 0 H ILE A 76 -12.677 4.626 7.867 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.376 7.392 7.022 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.839 5.679 7.127 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.242 4.378 5.928 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.298 5.129 4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.573 7.143 5.296 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.256 8.051 6.793 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.077 8.093 5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.932 5.301 4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.608 6.918 4.355 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.536 6.155 5.553 1.00 0.00 H new ATOM 1158 N ALA A 77 -13.398 8.707 8.793 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.860 9.515 9.909 1.00 0.00 C ATOM 1160 C ALA A 77 -15.328 9.192 10.194 1.00 0.00 C ATOM 1161 O ALA A 77 -16.151 9.165 9.280 1.00 0.00 O ATOM 1162 CB ALA A 77 -13.640 10.996 9.592 1.00 0.00 C ATOM 0 H ALA A 77 -12.979 9.236 8.028 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.291 9.286 10.810 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.986 11.603 10.429 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.578 11.179 9.426 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.198 11.263 8.695 1.00 0.00 H new ATOM 1168 N THR A 78 -15.612 8.955 11.466 1.00 0.00 N ATOM 1169 CA THR A 78 -16.967 8.634 11.883 1.00 0.00 C ATOM 1170 C THR A 78 -17.735 9.912 12.227 1.00 0.00 C ATOM 1171 O THR A 78 -17.250 11.016 11.985 1.00 0.00 O ATOM 1172 CB THR A 78 -16.882 7.645 13.047 1.00 0.00 C ATOM 1173 OG1 THR A 78 -16.910 8.471 14.208 1.00 0.00 O ATOM 1174 CG2 THR A 78 -15.524 6.944 13.121 1.00 0.00 C ATOM 0 H THR A 78 -14.927 8.979 12.222 1.00 0.00 H new ATOM 0 HA THR A 78 -17.528 8.161 11.077 1.00 0.00 H new ATOM 0 HB THR A 78 -17.671 6.899 12.948 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.861 7.910 15.010 1.00 0.00 H new ATOM 0 HG21 THR A 78 -15.517 6.253 13.964 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.349 6.392 12.198 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.738 7.687 13.254 1.00 0.00 H new ATOM 1182 N PRO A 79 -18.952 9.714 12.800 1.00 0.00 N ATOM 1183 CA PRO A 79 -19.793 10.837 13.179 1.00 0.00 C ATOM 1184 C PRO A 79 -19.267 11.512 14.448 1.00 0.00 C ATOM 1185 O PRO A 79 -20.024 11.754 15.386 1.00 0.00 O ATOM 1186 CB PRO A 79 -21.183 10.247 13.353 1.00 0.00 C ATOM 1187 CG PRO A 79 -20.982 8.750 13.520 1.00 0.00 C ATOM 1188 CD PRO A 79 -19.559 8.420 13.101 1.00 0.00 C ATOM 0 HA PRO A 79 -19.802 11.628 12.429 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -21.682 10.674 14.223 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -21.810 10.463 12.488 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -21.153 8.455 14.555 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -21.697 8.199 12.909 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -19.021 7.906 13.897 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -19.544 7.764 12.231 1.00 0.00 H new ATOM 1196 N LYS A 80 -17.972 11.795 14.436 1.00 0.00 N ATOM 1197 CA LYS A 80 -17.336 12.437 15.574 1.00 0.00 C ATOM 1198 C LYS A 80 -15.932 12.896 15.175 1.00 0.00 C ATOM 1199 O LYS A 80 -15.465 13.940 15.629 1.00 0.00 O ATOM 1200 CB LYS A 80 -17.358 11.511 16.792 1.00 0.00 C ATOM 1201 CG LYS A 80 -18.417 11.958 17.801 1.00 0.00 C ATOM 1202 CD LYS A 80 -19.227 10.764 18.310 1.00 0.00 C ATOM 1203 CE LYS A 80 -19.811 11.048 19.696 1.00 0.00 C ATOM 1204 NZ LYS A 80 -18.867 10.621 20.753 1.00 0.00 N ATOM 0 H LYS A 80 -17.346 11.591 13.656 1.00 0.00 H new ATOM 0 HA LYS A 80 -17.891 13.327 15.870 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.563 10.489 16.473 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.377 11.506 17.267 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.936 12.460 18.640 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -19.085 12.683 17.336 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -20.033 10.542 17.610 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -18.590 9.880 18.354 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -20.022 12.113 19.797 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -20.759 10.522 19.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.278 10.821 21.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.686 9.601 20.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.972 11.141 20.650 1.00 0.00 H new ATOM 1218 N GLN A 81 -15.299 12.095 14.331 1.00 0.00 N ATOM 1219 CA GLN A 81 -13.958 12.406 13.866 1.00 0.00 C ATOM 1220 C GLN A 81 -14.020 13.327 12.646 1.00 0.00 C ATOM 1221 O GLN A 81 -13.356 13.077 11.641 1.00 0.00 O ATOM 1222 CB GLN A 81 -13.177 11.129 13.551 1.00 0.00 C ATOM 1223 CG GLN A 81 -13.386 10.075 14.640 1.00 0.00 C ATOM 1224 CD GLN A 81 -12.567 8.816 14.349 1.00 0.00 C ATOM 1225 OE1 GLN A 81 -12.520 8.318 13.236 1.00 0.00 O ATOM 1226 NE2 GLN A 81 -11.926 8.331 15.408 1.00 0.00 N ATOM 0 H GLN A 81 -15.690 11.230 13.957 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.429 12.928 14.664 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.498 10.731 12.588 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.115 11.360 13.463 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.098 10.485 15.608 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.443 9.818 14.705 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.008 8.797 16.312 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.352 7.493 15.317 1.00 0.00 H new ATOM 1235 N LYS A 82 -14.822 14.374 12.774 1.00 0.00 N ATOM 1236 CA LYS A 82 -14.979 15.333 11.694 1.00 0.00 C ATOM 1237 C LYS A 82 -15.795 14.697 10.567 1.00 0.00 C ATOM 1238 O LYS A 82 -15.276 14.460 9.478 1.00 0.00 O ATOM 1239 CB LYS A 82 -13.615 15.860 11.244 1.00 0.00 C ATOM 1240 CG LYS A 82 -13.342 17.247 11.831 1.00 0.00 C ATOM 1241 CD LYS A 82 -14.438 18.237 11.431 1.00 0.00 C ATOM 1242 CE LYS A 82 -13.834 19.567 10.975 1.00 0.00 C ATOM 1243 NZ LYS A 82 -13.872 20.557 12.075 1.00 0.00 N ATOM 0 H LYS A 82 -15.370 14.579 13.609 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.535 16.205 12.037 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.833 15.168 11.557 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -13.581 15.909 10.156 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.285 17.181 12.918 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.375 17.609 11.483 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -15.041 17.813 10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -15.106 18.407 12.276 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.805 19.414 10.651 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.385 19.948 10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.458 21.454 11.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.858 20.716 12.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.326 20.198 12.884 1.00 0.00 H new ATOM 1257 N PRO A 83 -17.093 14.432 10.876 1.00 0.00 N ATOM 1258 CA PRO A 83 -17.986 13.828 9.902 1.00 0.00 C ATOM 1259 C PRO A 83 -18.410 14.846 8.842 1.00 0.00 C ATOM 1260 O PRO A 83 -17.766 15.881 8.677 1.00 0.00 O ATOM 1261 CB PRO A 83 -19.154 13.296 10.716 1.00 0.00 C ATOM 1262 CG PRO A 83 -19.100 14.025 12.049 1.00 0.00 C ATOM 1263 CD PRO A 83 -17.742 14.699 12.157 1.00 0.00 C ATOM 0 HA PRO A 83 -17.512 13.024 9.338 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -20.100 13.481 10.208 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -19.073 12.218 10.857 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -19.899 14.764 12.113 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -19.246 13.326 12.873 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -17.844 15.770 12.334 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -17.163 14.293 12.987 1.00 0.00 H new ATOM 1271 N LYS A 84 -19.492 14.517 8.151 1.00 0.00 N ATOM 1272 CA LYS A 84 -20.010 15.390 7.112 1.00 0.00 C ATOM 1273 C LYS A 84 -19.091 15.323 5.890 1.00 0.00 C ATOM 1274 O LYS A 84 -19.521 14.935 4.806 1.00 0.00 O ATOM 1275 CB LYS A 84 -20.211 16.807 7.653 1.00 0.00 C ATOM 1276 CG LYS A 84 -20.611 16.779 9.129 1.00 0.00 C ATOM 1277 CD LYS A 84 -21.683 17.829 9.428 1.00 0.00 C ATOM 1278 CE LYS A 84 -22.995 17.168 9.854 1.00 0.00 C ATOM 1279 NZ LYS A 84 -24.147 18.025 9.497 1.00 0.00 N ATOM 0 H LYS A 84 -20.024 13.658 8.291 1.00 0.00 H new ATOM 0 HA LYS A 84 -20.995 15.054 6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -19.291 17.380 7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -20.981 17.315 7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -20.985 15.789 9.389 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -19.734 16.962 9.750 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -21.334 18.495 10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -21.852 18.443 8.544 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -23.093 16.196 9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -22.987 16.989 10.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -25.030 17.561 9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -24.059 18.943 9.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -24.163 18.174 8.468 1.00 0.00 H new ATOM 1293 N THR A 85 -17.842 15.708 6.108 1.00 0.00 N ATOM 1294 CA THR A 85 -16.858 15.696 5.038 1.00 0.00 C ATOM 1295 C THR A 85 -17.089 14.498 4.115 1.00 0.00 C ATOM 1296 O THR A 85 -17.016 13.350 4.551 1.00 0.00 O ATOM 1297 CB THR A 85 -15.467 15.713 5.675 1.00 0.00 C ATOM 1298 OG1 THR A 85 -15.459 14.569 6.524 1.00 0.00 O ATOM 1299 CG2 THR A 85 -15.277 16.890 6.635 1.00 0.00 C ATOM 0 H THR A 85 -17.489 16.030 7.009 1.00 0.00 H new ATOM 0 HA THR A 85 -16.952 16.578 4.404 1.00 0.00 H new ATOM 0 HB THR A 85 -14.710 15.757 4.892 1.00 0.00 H new ATOM 0 HG1 THR A 85 -16.001 13.859 6.121 1.00 0.00 H new ATOM 0 HG21 THR A 85 -14.274 16.855 7.059 1.00 0.00 H new ATOM 0 HG22 THR A 85 -15.409 17.826 6.093 1.00 0.00 H new ATOM 0 HG23 THR A 85 -16.013 16.828 7.437 1.00 0.00 H new ATOM 1307 N PRO A 86 -17.369 14.814 2.822 1.00 0.00 N ATOM 1308 CA PRO A 86 -17.610 13.777 1.834 1.00 0.00 C ATOM 1309 C PRO A 86 -16.303 13.098 1.421 1.00 0.00 C ATOM 1310 O PRO A 86 -15.471 13.704 0.746 1.00 0.00 O ATOM 1311 CB PRO A 86 -18.301 14.487 0.680 1.00 0.00 C ATOM 1312 CG PRO A 86 -18.005 15.966 0.864 1.00 0.00 C ATOM 1313 CD PRO A 86 -17.462 16.162 2.270 1.00 0.00 C ATOM 0 HA PRO A 86 -18.232 12.968 2.217 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -17.926 14.130 -0.279 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -19.375 14.299 0.692 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -17.280 16.305 0.124 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.909 16.557 0.718 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -16.488 16.651 2.254 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -18.124 16.789 2.866 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.162 11.850 1.843 1.00 0.00 N ATOM 1322 CA PHE A 87 -14.970 11.082 1.525 1.00 0.00 C ATOM 1323 C PHE A 87 -13.756 11.615 2.288 1.00 0.00 C ATOM 1324 O PHE A 87 -12.821 12.140 1.685 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.724 11.240 0.023 1.00 0.00 C ATOM 1326 CG PHE A 87 -16.000 11.416 -0.802 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.914 10.411 -0.863 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.221 12.577 -1.474 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.099 10.574 -1.629 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.405 12.741 -2.240 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.319 11.735 -2.301 1.00 0.00 C ATOM 0 H PHE A 87 -16.854 11.351 2.403 1.00 0.00 H new ATOM 0 HA PHE A 87 -15.113 10.039 1.806 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.077 12.102 -0.140 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.186 10.364 -0.341 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.739 9.489 -0.329 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.495 13.375 -1.425 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.825 9.776 -1.678 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.580 13.663 -2.774 1.00 0.00 H new ATOM 0 HZ PHE A 87 -19.220 11.859 -2.884 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.809 11.461 3.603 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.725 11.920 4.454 1.00 0.00 C ATOM 1343 C CYS A 88 -12.245 10.739 5.300 1.00 0.00 C ATOM 1344 O CYS A 88 -13.048 10.061 5.938 1.00 0.00 O ATOM 1345 CB CYS A 88 -13.150 13.107 5.322 1.00 0.00 C ATOM 1346 SG CYS A 88 -12.348 14.639 4.723 1.00 0.00 S ATOM 0 H CYS A 88 -14.586 11.025 4.100 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.903 12.282 3.836 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -14.234 13.219 5.294 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.875 12.925 6.361 1.00 0.00 H new ATOM 0 HG CYS A 88 -11.061 14.544 4.878 1.00 0.00 H new ATOM 1352 N PHE A 89 -10.937 10.529 5.276 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.340 9.441 6.033 1.00 0.00 C ATOM 1354 C PHE A 89 -9.431 9.977 7.140 1.00 0.00 C ATOM 1355 O PHE A 89 -8.757 10.990 6.959 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.499 8.622 5.051 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.260 9.354 4.532 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -7.157 9.468 5.320 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -8.261 9.892 3.282 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -6.007 10.147 4.838 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -7.111 10.571 2.801 1.00 0.00 C ATOM 1362 CZ PHE A 89 -6.008 10.684 3.589 1.00 0.00 C ATOM 0 H PHE A 89 -10.274 11.093 4.745 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.121 8.841 6.500 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.185 7.699 5.539 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.123 8.338 4.203 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.156 9.042 6.312 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.137 9.802 2.656 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.131 10.237 5.464 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.112 10.998 1.809 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.133 11.200 3.222 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.442 9.274 8.263 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.627 9.666 9.400 1.00 0.00 C ATOM 1374 C VAL A 90 -7.468 8.679 9.557 1.00 0.00 C ATOM 1375 O VAL A 90 -7.686 7.473 9.668 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.495 9.773 10.655 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.653 9.605 11.921 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -10.264 11.095 10.678 1.00 0.00 C ATOM 0 H VAL A 90 -10.003 8.435 8.410 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.194 10.653 9.236 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.223 8.962 10.629 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.295 9.685 12.798 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.173 8.627 11.911 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.891 10.383 11.957 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.873 11.146 11.580 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.559 11.926 10.669 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.909 11.156 9.801 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.262 9.227 9.561 1.00 0.00 N ATOM 1389 CA ILE A 91 -5.069 8.409 9.703 1.00 0.00 C ATOM 1390 C ILE A 91 -4.731 8.260 11.187 1.00 0.00 C ATOM 1391 O ILE A 91 -4.228 9.195 11.810 1.00 0.00 O ATOM 1392 CB ILE A 91 -3.924 8.983 8.866 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -4.081 8.608 7.391 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.567 8.552 9.425 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -3.123 9.417 6.514 1.00 0.00 C ATOM 0 H ILE A 91 -6.085 10.227 9.468 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.246 7.406 9.314 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.968 10.070 8.928 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.888 7.543 7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.108 8.787 7.074 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.770 8.973 8.812 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.465 8.911 10.449 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.497 7.464 9.413 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.255 9.131 5.471 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.335 10.480 6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.095 9.217 6.817 1.00 0.00 H new ATOM 1407 N ASN A 92 -5.021 7.079 11.712 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.755 6.796 13.112 1.00 0.00 C ATOM 1409 C ASN A 92 -3.278 6.431 13.282 1.00 0.00 C ATOM 1410 O ASN A 92 -2.802 5.463 12.691 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.593 5.615 13.604 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.553 6.048 14.713 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -6.161 6.596 15.731 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.830 5.774 14.461 1.00 0.00 N ATOM 0 H ASN A 92 -5.438 6.306 11.193 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.010 7.684 13.690 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.158 5.194 12.772 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.936 4.828 13.974 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.549 6.025 15.140 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.090 5.313 13.589 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.595 7.227 14.092 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.183 7.000 14.347 1.00 0.00 C ATOM 1423 C ALA A 93 -0.971 6.756 15.842 1.00 0.00 C ATOM 1424 O ALA A 93 -1.857 6.240 16.522 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.373 8.191 13.830 1.00 0.00 C ATOM 0 H ALA A 93 -2.993 8.029 14.580 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.835 6.114 13.816 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.687 8.021 14.021 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.535 8.303 12.758 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.693 9.098 14.342 1.00 0.00 H new ATOM 1431 N LEU A 94 0.207 7.139 16.311 1.00 0.00 N ATOM 1432 CA LEU A 94 0.546 6.969 17.714 1.00 0.00 C ATOM 1433 C LEU A 94 -0.683 7.276 18.572 1.00 0.00 C ATOM 1434 O LEU A 94 -1.270 6.375 19.168 1.00 0.00 O ATOM 1435 CB LEU A 94 1.773 7.808 18.074 1.00 0.00 C ATOM 1436 CG LEU A 94 2.974 7.679 17.134 1.00 0.00 C ATOM 1437 CD1 LEU A 94 4.274 8.047 17.852 1.00 0.00 C ATOM 1438 CD2 LEU A 94 3.037 6.282 16.514 1.00 0.00 C ATOM 0 H LEU A 94 0.939 7.567 15.744 1.00 0.00 H new ATOM 0 HA LEU A 94 0.826 5.935 17.916 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.475 8.856 18.108 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.093 7.535 19.080 1.00 0.00 H new ATOM 0 HG LEU A 94 2.846 8.388 16.316 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.112 7.947 17.162 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.216 9.077 18.205 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.422 7.380 18.701 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.899 6.217 15.850 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.130 5.537 17.304 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.126 6.095 15.945 1.00 0.00 H new ATOM 1450 N SER A 95 -1.036 8.553 18.607 1.00 0.00 N ATOM 1451 CA SER A 95 -2.185 8.991 19.382 1.00 0.00 C ATOM 1452 C SER A 95 -2.735 10.298 18.808 1.00 0.00 C ATOM 1453 O SER A 95 -3.103 11.202 19.557 1.00 0.00 O ATOM 1454 CB SER A 95 -1.818 9.170 20.856 1.00 0.00 C ATOM 1455 OG SER A 95 -2.906 8.850 21.719 1.00 0.00 O ATOM 0 H SER A 95 -0.547 9.298 18.111 1.00 0.00 H new ATOM 0 HA SER A 95 -2.955 8.222 19.319 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.965 8.535 21.097 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.508 10.200 21.030 1.00 0.00 H new ATOM 0 HG SER A 95 -2.632 8.975 22.651 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.774 10.357 17.485 1.00 0.00 N ATOM 1462 CA GLN A 96 -3.274 11.539 16.803 1.00 0.00 C ATOM 1463 C GLN A 96 -4.183 11.136 15.640 1.00 0.00 C ATOM 1464 O GLN A 96 -4.104 10.012 15.147 1.00 0.00 O ATOM 1465 CB GLN A 96 -2.121 12.420 16.319 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.596 13.404 15.248 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.438 14.269 14.746 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -0.316 14.187 15.219 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -1.771 15.102 13.763 1.00 0.00 N ATOM 0 H GLN A 96 -2.468 9.606 16.867 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.862 12.123 17.511 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.700 12.969 17.161 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.325 11.794 15.916 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.033 12.856 14.414 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.380 14.041 15.657 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.729 15.121 13.413 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.068 15.722 13.360 1.00 0.00 H new ATOM 1478 N ARG A 97 -5.024 12.076 15.236 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.947 11.834 14.140 1.00 0.00 C ATOM 1480 C ARG A 97 -5.808 12.926 13.078 1.00 0.00 C ATOM 1481 O ARG A 97 -6.068 14.097 13.348 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.394 11.796 14.637 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.835 13.170 15.145 1.00 0.00 C ATOM 1484 CD ARG A 97 -9.087 13.055 16.017 1.00 0.00 C ATOM 1485 NE ARG A 97 -8.916 13.848 17.256 1.00 0.00 N ATOM 1486 CZ ARG A 97 -8.156 13.467 18.292 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -7.494 12.303 18.245 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -8.060 14.249 19.375 1.00 0.00 N ATOM 0 H ARG A 97 -5.086 13.007 15.648 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.699 10.866 13.705 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -8.051 11.475 13.829 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.489 11.061 15.436 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.028 13.626 15.719 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.036 13.828 14.299 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.958 13.410 15.466 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.272 12.010 16.267 1.00 0.00 H new ATOM 0 HE ARG A 97 -9.407 14.739 17.325 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.568 11.707 17.421 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.916 12.013 19.034 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.565 15.134 19.411 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -7.482 13.959 20.164 1.00 0.00 H new ATOM 1502 N TYR A 98 -5.398 12.503 11.890 1.00 0.00 N ATOM 1503 CA TYR A 98 -5.222 13.431 10.786 1.00 0.00 C ATOM 1504 C TYR A 98 -6.449 13.434 9.872 1.00 0.00 C ATOM 1505 O TYR A 98 -6.828 12.396 9.332 1.00 0.00 O ATOM 1506 CB TYR A 98 -4.014 12.921 9.997 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.692 12.999 10.763 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -2.512 12.246 11.905 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.681 13.822 10.312 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -1.267 12.319 12.627 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.436 13.895 11.033 1.00 0.00 C ATOM 1512 CZ TYR A 98 -0.291 13.140 12.155 1.00 0.00 C ATOM 1513 OH TYR A 98 0.884 13.209 12.836 1.00 0.00 O ATOM 0 H TYR A 98 -5.183 11.531 11.669 1.00 0.00 H new ATOM 0 HA TYR A 98 -5.082 14.447 11.156 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -4.193 11.886 9.707 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.924 13.499 9.077 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.304 11.602 12.258 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.823 14.412 9.418 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.113 11.735 13.522 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.364 14.535 10.690 1.00 0.00 H new ATOM 0 HH TYR A 98 0.718 13.542 13.743 1.00 0.00 H new ATOM 1523 N PHE A 99 -7.035 14.613 9.727 1.00 0.00 N ATOM 1524 CA PHE A 99 -8.211 14.766 8.887 1.00 0.00 C ATOM 1525 C PHE A 99 -7.827 15.248 7.487 1.00 0.00 C ATOM 1526 O PHE A 99 -7.484 16.415 7.300 1.00 0.00 O ATOM 1527 CB PHE A 99 -9.101 15.820 9.550 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.775 15.344 10.838 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -10.263 14.077 10.922 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.886 16.187 11.899 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -10.890 13.636 12.118 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -10.512 15.745 13.095 1.00 0.00 C ATOM 1533 CZ PHE A 99 -11.001 14.479 13.179 1.00 0.00 C ATOM 0 H PHE A 99 -6.718 15.472 10.177 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.721 13.808 8.785 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.499 16.702 9.771 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.870 16.129 8.842 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -10.174 13.407 10.080 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.498 17.193 11.832 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.279 12.631 12.185 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.600 16.415 13.938 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.477 14.143 14.088 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.896 14.326 6.538 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.560 14.642 5.161 1.00 0.00 C ATOM 1545 C LEU A 100 -8.821 14.555 4.299 1.00 0.00 C ATOM 1546 O LEU A 100 -9.704 13.741 4.565 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.417 13.750 4.670 1.00 0.00 C ATOM 1548 CG LEU A 100 -5.126 13.803 5.489 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.231 12.922 6.736 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.915 13.437 4.629 1.00 0.00 C ATOM 0 H LEU A 100 -8.180 13.359 6.696 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.191 15.665 5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.770 12.719 4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.183 14.026 3.642 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.980 14.828 5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.300 12.978 7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.055 13.270 7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.413 11.890 6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.011 13.483 5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.039 12.427 4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.832 14.140 3.800 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.866 15.405 3.284 1.00 0.00 N ATOM 1563 CA GLN A 101 -10.004 15.435 2.382 1.00 0.00 C ATOM 1564 C GLN A 101 -9.562 15.093 0.958 1.00 0.00 C ATOM 1565 O GLN A 101 -8.555 15.610 0.476 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.705 16.794 2.428 1.00 0.00 C ATOM 1567 CG GLN A 101 -12.152 16.682 1.941 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.700 18.050 1.531 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -12.460 18.542 0.440 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -13.446 18.635 2.463 1.00 0.00 N ATOM 0 H GLN A 101 -8.132 16.079 3.066 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.722 14.682 2.709 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.689 17.181 3.447 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.163 17.508 1.808 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -12.202 15.997 1.094 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.773 16.259 2.730 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -13.607 18.167 3.355 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.857 19.551 2.286 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.336 14.225 0.324 1.00 0.00 N ATOM 1580 CA ALA A 102 -10.037 13.809 -1.036 1.00 0.00 C ATOM 1581 C ALA A 102 -10.878 14.632 -2.014 1.00 0.00 C ATOM 1582 O ALA A 102 -11.437 15.663 -1.642 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.285 12.306 -1.176 1.00 0.00 C ATOM 0 H ALA A 102 -11.170 13.798 0.727 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.988 13.990 -1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.061 11.994 -2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.642 11.765 -0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.329 12.087 -0.951 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.941 14.146 -3.245 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.704 14.824 -4.279 1.00 0.00 C ATOM 1591 C ASN A 103 -13.060 14.132 -4.442 1.00 0.00 C ATOM 1592 O ASN A 103 -14.105 14.768 -4.311 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.980 14.767 -5.625 1.00 0.00 C ATOM 1594 CG ASN A 103 -10.162 16.039 -5.861 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -10.480 16.866 -6.700 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -9.094 16.148 -5.076 1.00 0.00 N ATOM 0 H ASN A 103 -10.476 13.291 -3.550 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.827 15.865 -3.980 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.323 13.897 -5.652 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.707 14.643 -6.428 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -8.483 16.961 -5.156 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.886 15.419 -4.394 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.998 12.840 -4.726 1.00 0.00 N ATOM 1604 CA ASP A 104 -14.208 12.055 -4.908 1.00 0.00 C ATOM 1605 C ASP A 104 -14.261 10.954 -3.847 1.00 0.00 C ATOM 1606 O ASP A 104 -13.709 11.108 -2.759 1.00 0.00 O ATOM 1607 CB ASP A 104 -14.228 11.387 -6.284 1.00 0.00 C ATOM 1608 CG ASP A 104 -13.679 12.244 -7.427 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -13.674 13.482 -7.257 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -13.277 11.641 -8.445 1.00 0.00 O ATOM 0 H ASP A 104 -12.129 12.316 -4.835 1.00 0.00 H new ATOM 0 HA ASP A 104 -15.062 12.726 -4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -13.650 10.464 -6.232 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -15.255 11.107 -6.520 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.930 9.867 -4.202 1.00 0.00 N ATOM 1616 CA GLN A 105 -15.063 8.740 -3.294 1.00 0.00 C ATOM 1617 C GLN A 105 -14.007 7.678 -3.608 1.00 0.00 C ATOM 1618 O GLN A 105 -13.668 6.863 -2.751 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.472 8.148 -3.357 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.497 6.729 -2.787 1.00 0.00 C ATOM 1621 CD GLN A 105 -17.892 6.112 -2.909 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.385 5.838 -3.991 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -18.498 5.911 -1.743 1.00 0.00 N ATOM 0 H GLN A 105 -15.386 9.743 -5.106 1.00 0.00 H new ATOM 0 HA GLN A 105 -14.900 9.097 -2.277 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.161 8.781 -2.798 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.819 8.135 -4.390 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.774 6.108 -3.316 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.195 6.749 -1.740 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -18.028 6.163 -0.874 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -19.433 5.504 -1.718 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.517 7.723 -4.838 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.507 6.774 -5.275 1.00 0.00 C ATOM 1634 C LYS A 106 -11.163 7.139 -4.642 1.00 0.00 C ATOM 1635 O LYS A 106 -10.658 6.413 -3.787 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.467 6.701 -6.803 1.00 0.00 C ATOM 1637 CG LYS A 106 -11.322 5.804 -7.279 1.00 0.00 C ATOM 1638 CD LYS A 106 -11.339 5.655 -8.802 1.00 0.00 C ATOM 1639 CE LYS A 106 -10.067 4.967 -9.299 1.00 0.00 C ATOM 1640 NZ LYS A 106 -9.155 5.951 -9.924 1.00 0.00 N ATOM 0 H LYS A 106 -13.800 8.401 -5.545 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.757 5.768 -4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -13.415 6.316 -7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.345 7.703 -7.216 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.368 6.226 -6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.406 4.822 -6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.212 5.076 -9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.431 6.637 -9.266 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.564 4.474 -8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.324 4.192 -10.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -8.297 5.467 -10.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -9.632 6.402 -10.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.895 6.676 -9.225 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.621 8.264 -5.085 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.346 8.734 -4.572 1.00 0.00 C ATOM 1656 C ASP A 107 -9.330 8.590 -3.049 1.00 0.00 C ATOM 1657 O ASP A 107 -8.295 8.275 -2.463 1.00 0.00 O ATOM 1658 CB ASP A 107 -9.126 10.209 -4.910 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.662 10.655 -4.940 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -6.812 9.789 -5.239 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -7.428 11.851 -4.664 1.00 0.00 O ATOM 0 H ASP A 107 -11.042 8.864 -5.794 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.557 8.138 -5.031 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.572 10.414 -5.883 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.660 10.817 -4.180 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.488 8.827 -2.452 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.620 8.729 -1.008 1.00 0.00 C ATOM 1668 C LEU A 108 -10.330 7.291 -0.571 1.00 0.00 C ATOM 1669 O LEU A 108 -9.298 7.022 0.042 1.00 0.00 O ATOM 1670 CB LEU A 108 -11.989 9.243 -0.559 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.412 8.870 0.863 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.026 7.469 0.903 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.241 9.011 1.838 1.00 0.00 C ATOM 0 H LEU A 108 -11.344 9.087 -2.942 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.888 9.368 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.993 10.330 -0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.742 8.866 -1.251 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.184 9.569 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.318 7.229 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.904 7.438 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.294 6.741 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.569 8.740 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.430 8.351 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.889 10.043 1.837 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.258 6.406 -0.904 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.114 5.004 -0.553 1.00 0.00 C ATOM 1687 C LYS A 109 -9.710 4.529 -0.932 1.00 0.00 C ATOM 1688 O LYS A 109 -8.981 4.002 -0.092 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.234 4.176 -1.187 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.321 3.848 -0.161 1.00 0.00 C ATOM 1691 CD LYS A 109 -13.555 2.339 -0.073 1.00 0.00 C ATOM 1692 CE LYS A 109 -14.383 1.842 -1.260 1.00 0.00 C ATOM 1693 NZ LYS A 109 -15.809 1.722 -0.883 1.00 0.00 N ATOM 0 H LYS A 109 -12.112 6.633 -1.413 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.217 4.868 0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.670 4.726 -2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.823 3.252 -1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.031 4.232 0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.249 4.348 -0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.597 1.820 -0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.069 2.101 0.858 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.279 2.532 -2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.006 0.875 -1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.357 1.384 -1.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.905 1.047 -0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.169 2.651 -0.586 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.371 4.733 -2.196 1.00 0.00 N ATOM 1708 CA ASP A 110 -8.067 4.332 -2.696 1.00 0.00 C ATOM 1709 C ASP A 110 -6.991 4.746 -1.690 1.00 0.00 C ATOM 1710 O ASP A 110 -6.216 3.911 -1.227 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.755 5.015 -4.029 1.00 0.00 C ATOM 1712 CG ASP A 110 -7.144 4.103 -5.095 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -6.770 2.969 -4.725 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -7.065 4.560 -6.256 1.00 0.00 O ATOM 0 H ASP A 110 -9.977 5.171 -2.890 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.078 3.251 -2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.675 5.445 -4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -7.070 5.843 -3.845 1.00 0.00 H new ATOM 1719 N TRP A 111 -6.979 6.034 -1.381 1.00 0.00 N ATOM 1720 CA TRP A 111 -6.011 6.569 -0.439 1.00 0.00 C ATOM 1721 C TRP A 111 -6.031 5.686 0.811 1.00 0.00 C ATOM 1722 O TRP A 111 -5.035 5.043 1.137 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.296 8.041 -0.136 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.454 9.020 -0.957 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.877 9.914 -1.861 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -4.020 9.168 -0.911 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.823 10.624 -2.400 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.658 10.157 -1.804 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -3.059 8.489 -0.141 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.332 10.555 -2.011 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.738 8.900 -0.360 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.358 9.893 -1.255 1.00 0.00 C ATOM 0 H TRP A 111 -7.625 6.723 -1.767 1.00 0.00 H new ATOM 0 HA TRP A 111 -5.007 6.549 -0.864 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.351 8.242 -0.321 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -6.118 8.224 0.924 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -6.912 10.061 -2.133 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.888 11.357 -3.106 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.319 7.712 0.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.074 11.331 -2.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.960 8.411 0.207 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.316 10.153 -1.367 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.177 5.684 1.476 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.340 4.891 2.683 1.00 0.00 C ATOM 1745 C VAL A 112 -6.784 3.486 2.444 1.00 0.00 C ATOM 1746 O VAL A 112 -5.965 2.998 3.221 1.00 0.00 O ATOM 1747 CB VAL A 112 -8.809 4.888 3.113 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -8.987 4.171 4.452 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.365 6.312 3.175 1.00 0.00 C ATOM 0 H VAL A 112 -8.001 6.219 1.202 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.775 5.328 3.506 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.377 4.339 2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.040 4.183 4.734 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.648 3.139 4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.400 4.679 5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.410 6.281 3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -8.791 6.896 3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.290 6.775 2.191 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.252 2.875 1.365 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.812 1.535 1.014 1.00 0.00 C ATOM 1761 C GLU A 113 -5.286 1.486 0.919 1.00 0.00 C ATOM 1762 O GLU A 113 -4.654 0.589 1.476 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.458 1.071 -0.293 1.00 0.00 C ATOM 1764 CG GLU A 113 -8.981 1.202 -0.228 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.660 -0.129 -0.556 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.071 -0.884 -1.359 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -10.753 -0.361 0.004 1.00 0.00 O ATOM 0 H GLU A 113 -7.931 3.283 0.723 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.130 0.851 1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.073 1.663 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.187 0.034 -0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.279 1.531 0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.314 1.967 -0.929 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.737 2.462 0.211 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.297 2.541 0.036 1.00 0.00 C ATOM 1776 C ALA A 114 -2.629 2.703 1.403 1.00 0.00 C ATOM 1777 O ALA A 114 -1.684 1.985 1.726 1.00 0.00 O ATOM 1778 CB ALA A 114 -2.960 3.690 -0.917 1.00 0.00 C ATOM 0 H ALA A 114 -5.264 3.205 -0.248 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.915 1.624 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.880 3.749 -1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.434 3.513 -1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.327 4.628 -0.500 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.147 3.652 2.170 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.613 3.918 3.495 1.00 0.00 C ATOM 1786 C LEU A 115 -2.853 2.700 4.390 1.00 0.00 C ATOM 1787 O LEU A 115 -2.162 2.515 5.390 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.194 5.217 4.055 1.00 0.00 C ATOM 1789 CG LEU A 115 -2.941 6.478 3.226 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -3.907 7.597 3.620 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.480 6.919 3.331 1.00 0.00 C ATOM 0 H LEU A 115 -3.931 4.246 1.899 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.535 4.072 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.271 5.091 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.785 5.374 5.053 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.132 6.242 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.705 8.481 3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.933 7.268 3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.772 7.840 4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.327 7.817 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.238 7.131 4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.832 6.123 2.963 1.00 0.00 H new ATOM 1803 N ASN A 116 -3.835 1.902 3.998 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.174 0.707 4.753 1.00 0.00 C ATOM 1805 C ASN A 116 -3.167 -0.398 4.430 1.00 0.00 C ATOM 1806 O ASN A 116 -2.948 -1.299 5.238 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.569 0.199 4.382 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.482 0.159 5.609 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -6.588 -0.839 6.303 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -7.133 1.296 5.836 1.00 0.00 N ATOM 0 H ASN A 116 -4.407 2.059 3.168 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.152 0.960 5.813 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.005 0.846 3.621 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.493 -0.798 3.948 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -7.767 1.370 6.631 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -6.998 2.094 5.215 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.581 -0.293 3.246 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.602 -1.273 2.806 1.00 0.00 C ATOM 1819 C GLN A 117 -0.204 -0.879 3.288 1.00 0.00 C ATOM 1820 O GLN A 117 0.530 -1.710 3.819 1.00 0.00 O ATOM 1821 CB GLN A 117 -1.633 -1.434 1.285 1.00 0.00 C ATOM 1822 CG GLN A 117 -2.985 -1.979 0.819 1.00 0.00 C ATOM 1823 CD GLN A 117 -2.820 -2.877 -0.409 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -3.092 -2.490 -1.533 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -2.362 -4.094 -0.131 1.00 0.00 N ATOM 0 H GLN A 117 -2.765 0.455 2.578 1.00 0.00 H new ATOM 0 HA GLN A 117 -1.858 -2.237 3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.441 -0.472 0.810 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -0.837 -2.109 0.971 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.452 -2.543 1.627 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.653 -1.151 0.581 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.154 -4.353 0.834 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -2.218 -4.769 -0.882 1.00 0.00 H new ATOM 1834 N ALA A 118 0.122 0.389 3.083 1.00 0.00 N ATOM 1835 CA ALA A 118 1.419 0.903 3.490 1.00 0.00 C ATOM 1836 C ALA A 118 1.598 0.691 4.994 1.00 0.00 C ATOM 1837 O ALA A 118 2.724 0.610 5.484 1.00 0.00 O ATOM 1838 CB ALA A 118 1.533 2.375 3.091 1.00 0.00 C ATOM 0 H ALA A 118 -0.489 1.075 2.641 1.00 0.00 H new ATOM 0 HA ALA A 118 2.221 0.365 2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.506 2.760 3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.429 2.468 2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.746 2.947 3.582 1.00 0.00 H new ATOM 1844 N SER A 119 0.472 0.606 5.686 1.00 0.00 N ATOM 1845 CA SER A 119 0.490 0.405 7.125 1.00 0.00 C ATOM 1846 C SER A 119 0.666 -1.081 7.443 1.00 0.00 C ATOM 1847 O SER A 119 1.347 -1.438 8.404 1.00 0.00 O ATOM 1848 CB SER A 119 -0.790 0.938 7.772 1.00 0.00 C ATOM 1849 OG SER A 119 -1.946 0.638 6.995 1.00 0.00 O ATOM 0 H SER A 119 -0.460 0.673 5.277 1.00 0.00 H new ATOM 0 HA SER A 119 1.332 0.961 7.537 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.900 0.507 8.767 1.00 0.00 H new ATOM 0 HB3 SER A 119 -0.709 2.017 7.900 1.00 0.00 H new ATOM 0 HG SER A 119 -2.305 1.465 6.610 1.00 0.00 H new ATOM 1855 N LYS A 120 0.040 -1.909 6.619 1.00 0.00 N ATOM 1856 CA LYS A 120 0.119 -3.348 6.801 1.00 0.00 C ATOM 1857 C LYS A 120 1.342 -3.886 6.055 1.00 0.00 C ATOM 1858 O LYS A 120 1.461 -5.090 5.837 1.00 0.00 O ATOM 1859 CB LYS A 120 -1.195 -4.014 6.387 1.00 0.00 C ATOM 1860 CG LYS A 120 -2.148 -4.133 7.578 1.00 0.00 C ATOM 1861 CD LYS A 120 -3.188 -5.229 7.340 1.00 0.00 C ATOM 1862 CE LYS A 120 -4.562 -4.625 7.041 1.00 0.00 C ATOM 1863 NZ LYS A 120 -5.627 -5.632 7.247 1.00 0.00 N ATOM 0 H LYS A 120 -0.524 -1.610 5.824 1.00 0.00 H new ATOM 0 HA LYS A 120 0.255 -3.591 7.855 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -1.668 -3.433 5.595 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -0.992 -5.004 5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -1.580 -4.355 8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -2.650 -3.180 7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -2.874 -5.858 6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -3.252 -5.871 8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -4.736 -3.765 7.688 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -4.590 -4.262 6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -6.553 -5.206 7.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.468 -6.440 6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -5.610 -5.959 8.234 1.00 0.00 H new ATOM 1877 N SER A 121 2.221 -2.966 5.685 1.00 0.00 N ATOM 1878 CA SER A 121 3.431 -3.332 4.968 1.00 0.00 C ATOM 1879 C SER A 121 4.010 -4.625 5.546 1.00 0.00 C ATOM 1880 O SER A 121 4.636 -5.404 4.828 1.00 0.00 O ATOM 1881 CB SER A 121 4.469 -2.211 5.030 1.00 0.00 C ATOM 1882 OG SER A 121 5.284 -2.172 3.862 1.00 0.00 O ATOM 0 H SER A 121 2.119 -1.968 5.868 1.00 0.00 H new ATOM 0 HA SER A 121 3.173 -3.493 3.921 1.00 0.00 H new ATOM 0 HB2 SER A 121 3.962 -1.254 5.150 1.00 0.00 H new ATOM 0 HB3 SER A 121 5.100 -2.350 5.908 1.00 0.00 H new ATOM 0 HG SER A 121 5.933 -1.442 3.940 1.00 0.00 H new ATOM 1888 N GLY A 122 3.782 -4.813 6.837 1.00 0.00 N ATOM 1889 CA GLY A 122 4.273 -5.998 7.520 1.00 0.00 C ATOM 1890 C GLY A 122 3.155 -7.025 7.709 1.00 0.00 C ATOM 1891 O GLY A 122 2.259 -7.134 6.873 1.00 0.00 O ATOM 0 H GLY A 122 3.263 -4.164 7.429 1.00 0.00 H new ATOM 0 HA2 GLY A 122 5.086 -6.442 6.946 1.00 0.00 H new ATOM 0 HA3 GLY A 122 4.683 -5.719 8.491 1.00 0.00 H new ATOM 1895 N PRO A 123 3.247 -7.771 8.842 1.00 0.00 N ATOM 1896 CA PRO A 123 2.254 -8.786 9.152 1.00 0.00 C ATOM 1897 C PRO A 123 0.950 -8.148 9.636 1.00 0.00 C ATOM 1898 O PRO A 123 0.916 -6.958 9.948 1.00 0.00 O ATOM 1899 CB PRO A 123 2.908 -9.669 10.202 1.00 0.00 C ATOM 1900 CG PRO A 123 4.054 -8.853 10.778 1.00 0.00 C ATOM 1901 CD PRO A 123 4.294 -7.670 9.855 1.00 0.00 C ATOM 0 HA PRO A 123 1.967 -9.373 8.280 1.00 0.00 H new ATOM 0 HB2 PRO A 123 2.195 -9.945 10.979 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.272 -10.597 9.760 1.00 0.00 H new ATOM 0 HG2 PRO A 123 3.810 -8.509 11.783 1.00 0.00 H new ATOM 0 HG3 PRO A 123 4.954 -9.463 10.859 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.231 -6.726 10.397 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.286 -7.714 9.405 1.00 0.00 H new ATOM 1909 N SER A 124 -0.090 -8.967 9.685 1.00 0.00 N ATOM 1910 CA SER A 124 -1.392 -8.497 10.126 1.00 0.00 C ATOM 1911 C SER A 124 -1.584 -8.806 11.612 1.00 0.00 C ATOM 1912 O SER A 124 -2.308 -9.734 11.968 1.00 0.00 O ATOM 1913 CB SER A 124 -2.515 -9.132 9.303 1.00 0.00 C ATOM 1914 OG SER A 124 -3.804 -8.761 9.782 1.00 0.00 O ATOM 0 H SER A 124 -0.057 -9.953 9.427 1.00 0.00 H new ATOM 0 HA SER A 124 -1.434 -7.418 9.977 1.00 0.00 H new ATOM 0 HB2 SER A 124 -2.415 -8.830 8.260 1.00 0.00 H new ATOM 0 HB3 SER A 124 -2.416 -10.217 9.332 1.00 0.00 H new ATOM 0 HG SER A 124 -4.493 -9.186 9.229 1.00 0.00 H new ATOM 1920 N SER A 125 -0.923 -8.009 12.439 1.00 0.00 N ATOM 1921 CA SER A 125 -1.012 -8.186 13.879 1.00 0.00 C ATOM 1922 C SER A 125 -2.478 -8.201 14.315 1.00 0.00 C ATOM 1923 O SER A 125 -3.172 -7.190 14.207 1.00 0.00 O ATOM 1924 CB SER A 125 -0.250 -7.083 14.617 1.00 0.00 C ATOM 1925 OG SER A 125 0.845 -7.602 15.367 1.00 0.00 O ATOM 0 H SER A 125 -0.324 -7.240 12.140 1.00 0.00 H new ATOM 0 HA SER A 125 -0.554 -9.141 14.135 1.00 0.00 H new ATOM 0 HB2 SER A 125 0.118 -6.352 13.897 1.00 0.00 H new ATOM 0 HB3 SER A 125 -0.931 -6.557 15.286 1.00 0.00 H new ATOM 0 HG SER A 125 1.307 -6.867 15.822 1.00 0.00 H new ATOM 1931 N GLY A 126 -2.907 -9.357 14.798 1.00 0.00 N ATOM 1932 CA GLY A 126 -4.278 -9.517 15.251 1.00 0.00 C ATOM 1933 C GLY A 126 -5.018 -10.555 14.404 1.00 0.00 C ATOM 1934 O GLY A 126 -6.207 -10.403 14.128 1.00 0.00 O ATOM 0 H GLY A 126 -2.329 -10.193 14.886 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.286 -9.824 16.297 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.797 -8.560 15.195 1.00 0.00 H new TER 1938 GLY A 126