USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 941 hydrogens (8 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 NoAdj-H: B 4 PTR HN2 : B 4 PTR N : B 3 ASP C :(H bumps) USER MOD NoAdj-H: B 4 PTR H : B 4 PTR N : B 3 ASP C :(H bumps) USER MOD Set 1.1: A 83 TYR OH : rot 70:sc= -0.318! USER MOD Set 1.2: A 84 TYR OH : rot 112:sc= -0.521 USER MOD Set 2.1: A 43 ASN : amide:sc= -0.718 K(o=-1,f=-4.8!) USER MOD Set 2.2: A 61 GLN : amide:sc= -0.32 X(o=-1,f=-1.1) USER MOD Set 3.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 62 GLN : amide:sc= -5.02! C(o=-5!,f=-4.9!) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0539 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0624 USER MOD Single : A 6 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-0.34) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -3.52 K(o=-3.5,f=-8.4!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 17 THR OG1 : rot -1:sc= 1.01 USER MOD Single : A 20 GLN : amide:sc= -0.106 K(o=-0.11,f=-2.5!) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 MET CE :methyl -113:sc= -0.715 (180deg=-4.79!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -134:sc= 1.07 (180deg=-0.582) USER MOD Single : A 40 ASN : amide:sc= -0.66 K(o=-0.66,f=-0.09) USER MOD Single : A 44 SER OG : rot 180:sc= -1.15! USER MOD Single : A 48 SER OG : rot 180:sc= -0.14 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= -4.27! (180deg=-6.29!) USER MOD Single : A 57 HIS : no HE2:sc= -2.76 X(o=-2.8,f=-2.6) USER MOD Single : A 58 CYS SG : rot 180:sc= -2.66! USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0063 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.7!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -48:sc= 0.936 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 159:sc= -0.126 (180deg=-0.835) USER MOD Single : A 87 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.39) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -129:sc= -2.89! (180deg=-5.95!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.0339 K(o=-0.034,f=-2.6!) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= -0.254 USER MOD Single : A 105 SER OG : rot 180:sc= 0.0376 USER MOD Single : B 1 ASP N :NH3+ 180:sc= -0.56 (180deg=-0.56) USER MOD Single : B 2 ASN : amide:sc= -1.75 K(o=-1.7,f=-2.6!) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.011 12.866 18.235 1.00 0.00 N ATOM 2 CA GLY A 1 -15.353 14.029 17.573 1.00 0.00 C ATOM 3 C GLY A 1 -13.957 13.626 17.099 1.00 0.00 C ATOM 4 O GLY A 1 -13.692 12.472 16.826 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.949 12.711 17.813 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.427 12.015 18.103 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.116 13.059 19.251 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.952 14.366 16.727 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.285 14.866 18.268 1.00 0.00 H new ATOM 10 N SER A 2 -13.060 14.568 16.995 1.00 0.00 N ATOM 11 CA SER A 2 -11.681 14.239 16.537 1.00 0.00 C ATOM 12 C SER A 2 -11.718 13.835 15.060 1.00 0.00 C ATOM 13 O SER A 2 -12.608 13.125 14.635 1.00 0.00 O ATOM 14 CB SER A 2 -11.131 13.080 17.368 1.00 0.00 C ATOM 15 OG SER A 2 -9.711 13.135 17.371 1.00 0.00 O ATOM 0 H SER A 2 -13.223 15.552 17.208 1.00 0.00 H new ATOM 0 HA SER A 2 -11.039 15.111 16.660 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.510 13.137 18.388 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.468 12.129 16.955 1.00 0.00 H new ATOM 0 HG SER A 2 -9.356 12.394 17.905 1.00 0.00 H new ATOM 21 N PRO A 3 -10.745 14.303 14.324 1.00 0.00 N ATOM 22 CA PRO A 3 -10.582 14.040 12.871 1.00 0.00 C ATOM 23 C PRO A 3 -9.960 12.658 12.654 1.00 0.00 C ATOM 24 O PRO A 3 -9.411 12.064 13.561 1.00 0.00 O ATOM 25 CB PRO A 3 -9.643 15.131 12.361 1.00 0.00 C ATOM 26 CG PRO A 3 -8.849 15.613 13.579 1.00 0.00 C ATOM 27 CD PRO A 3 -9.641 15.174 14.819 1.00 0.00 C ATOM 0 HA PRO A 3 -11.537 14.052 12.345 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.977 14.743 11.591 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.205 15.951 11.913 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.848 15.181 13.585 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.728 16.696 13.559 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.002 14.633 15.517 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.037 16.038 15.353 1.00 0.00 H new ATOM 35 N GLY A 4 -10.040 12.142 11.458 1.00 0.00 N ATOM 36 CA GLY A 4 -9.452 10.800 11.185 1.00 0.00 C ATOM 37 C GLY A 4 -10.571 9.795 10.906 1.00 0.00 C ATOM 38 O GLY A 4 -10.372 8.598 10.967 1.00 0.00 O ATOM 0 H GLY A 4 -10.487 12.591 10.659 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.778 10.855 10.330 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.859 10.471 12.039 1.00 0.00 H new ATOM 42 N ILE A 5 -11.746 10.271 10.598 1.00 0.00 N ATOM 43 CA ILE A 5 -12.876 9.342 10.313 1.00 0.00 C ATOM 44 C ILE A 5 -13.203 9.382 8.819 1.00 0.00 C ATOM 45 O ILE A 5 -13.311 8.361 8.169 1.00 0.00 O ATOM 46 CB ILE A 5 -14.113 9.760 11.117 1.00 0.00 C ATOM 47 CG1 ILE A 5 -14.042 11.254 11.449 1.00 0.00 C ATOM 48 CG2 ILE A 5 -14.174 8.954 12.415 1.00 0.00 C ATOM 49 CD1 ILE A 5 -15.412 11.734 11.934 1.00 0.00 C ATOM 0 H ILE A 5 -11.973 11.263 10.531 1.00 0.00 H new ATOM 0 HA ILE A 5 -12.588 8.330 10.599 1.00 0.00 H new ATOM 0 HB ILE A 5 -15.006 9.567 10.523 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.290 11.431 12.217 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -13.738 11.819 10.568 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -15.053 9.251 12.987 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -14.235 7.891 12.181 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -13.277 9.144 13.004 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -15.362 12.797 12.170 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -16.153 11.571 11.151 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -15.698 11.177 12.826 1.00 0.00 H new ATOM 61 N HIS A 6 -13.364 10.555 8.269 1.00 0.00 N ATOM 62 CA HIS A 6 -13.683 10.659 6.818 1.00 0.00 C ATOM 63 C HIS A 6 -13.195 12.008 6.285 1.00 0.00 C ATOM 64 O HIS A 6 -13.735 12.544 5.339 1.00 0.00 O ATOM 65 CB HIS A 6 -15.197 10.549 6.621 1.00 0.00 C ATOM 66 CG HIS A 6 -15.492 10.205 5.187 1.00 0.00 C ATOM 67 ND1 HIS A 6 -16.742 9.775 4.772 1.00 0.00 N ATOM 68 CD2 HIS A 6 -14.708 10.220 4.059 1.00 0.00 C ATOM 69 CE1 HIS A 6 -16.676 9.552 3.446 1.00 0.00 C ATOM 70 NE2 HIS A 6 -15.458 9.808 2.962 1.00 0.00 N ATOM 0 H HIS A 6 -13.288 11.445 8.762 1.00 0.00 H new ATOM 0 HA HIS A 6 -13.187 9.854 6.277 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -15.606 9.784 7.281 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -15.678 11.490 6.887 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.668 10.508 4.028 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -17.506 9.208 2.847 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -15.145 9.720 1.995 1.00 0.00 H new ATOM 78 N GLU A 7 -12.179 12.560 6.889 1.00 0.00 N ATOM 79 CA GLU A 7 -11.656 13.874 6.419 1.00 0.00 C ATOM 80 C GLU A 7 -11.030 13.709 5.033 1.00 0.00 C ATOM 81 O GLU A 7 -11.055 12.642 4.452 1.00 0.00 O ATOM 82 CB GLU A 7 -10.597 14.380 7.400 1.00 0.00 C ATOM 83 CG GLU A 7 -11.155 15.569 8.186 1.00 0.00 C ATOM 84 CD GLU A 7 -11.958 15.058 9.383 1.00 0.00 C ATOM 85 OE1 GLU A 7 -12.052 13.852 9.538 1.00 0.00 O ATOM 86 OE2 GLU A 7 -12.466 15.883 10.125 1.00 0.00 O ATOM 0 H GLU A 7 -11.688 12.158 7.688 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.474 14.592 6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.309 13.582 8.084 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.698 14.677 6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.340 16.208 8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.789 16.178 7.542 1.00 0.00 H new ATOM 93 N SER A 8 -10.466 14.758 4.499 1.00 0.00 N ATOM 94 CA SER A 8 -9.838 14.661 3.152 1.00 0.00 C ATOM 95 C SER A 8 -8.474 13.978 3.275 1.00 0.00 C ATOM 96 O SER A 8 -7.483 14.601 3.599 1.00 0.00 O ATOM 97 CB SER A 8 -9.654 16.065 2.575 1.00 0.00 C ATOM 98 OG SER A 8 -8.660 16.029 1.558 1.00 0.00 O ATOM 0 H SER A 8 -10.413 15.677 4.938 1.00 0.00 H new ATOM 0 HA SER A 8 -10.479 14.077 2.492 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.596 16.429 2.166 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.360 16.759 3.363 1.00 0.00 H new ATOM 0 HG SER A 8 -8.541 16.927 1.185 1.00 0.00 H new ATOM 104 N LYS A 9 -8.418 12.700 3.020 1.00 0.00 N ATOM 105 CA LYS A 9 -7.119 11.977 3.123 1.00 0.00 C ATOM 106 C LYS A 9 -6.870 11.186 1.838 1.00 0.00 C ATOM 107 O LYS A 9 -7.694 10.401 1.411 1.00 0.00 O ATOM 108 CB LYS A 9 -7.165 11.015 4.313 1.00 0.00 C ATOM 109 CG LYS A 9 -5.762 10.461 4.575 1.00 0.00 C ATOM 110 CD LYS A 9 -5.342 10.796 6.008 1.00 0.00 C ATOM 111 CE LYS A 9 -4.147 9.927 6.404 1.00 0.00 C ATOM 112 NZ LYS A 9 -2.973 10.798 6.698 1.00 0.00 N ATOM 0 H LYS A 9 -9.215 12.125 2.745 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.313 12.697 3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.535 11.532 5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.858 10.199 4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.751 9.382 4.424 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.052 10.889 3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.079 11.851 6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.173 10.624 6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.395 9.326 7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.906 9.233 5.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.161 10.207 6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.732 11.353 5.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.206 11.443 7.480 1.00 0.00 H new ATOM 126 N GLU A 10 -5.740 11.385 1.216 1.00 0.00 N ATOM 127 CA GLU A 10 -5.440 10.644 -0.040 1.00 0.00 C ATOM 128 C GLU A 10 -4.018 10.087 0.023 1.00 0.00 C ATOM 129 O GLU A 10 -3.055 10.823 0.109 1.00 0.00 O ATOM 130 CB GLU A 10 -5.566 11.592 -1.234 1.00 0.00 C ATOM 131 CG GLU A 10 -7.035 11.964 -1.437 1.00 0.00 C ATOM 132 CD GLU A 10 -7.153 12.980 -2.573 1.00 0.00 C ATOM 133 OE1 GLU A 10 -6.142 13.568 -2.923 1.00 0.00 O ATOM 134 OE2 GLU A 10 -8.252 13.156 -3.074 1.00 0.00 O ATOM 0 H GLU A 10 -5.012 12.029 1.524 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.146 9.822 -0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.973 12.490 -1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.173 11.117 -2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.618 11.073 -1.670 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.446 12.382 -0.518 1.00 0.00 H new ATOM 141 N TRP A 11 -3.876 8.791 -0.017 1.00 0.00 N ATOM 142 CA TRP A 11 -2.513 8.186 0.042 1.00 0.00 C ATOM 143 C TRP A 11 -2.240 7.420 -1.255 1.00 0.00 C ATOM 144 O TRP A 11 -1.576 6.402 -1.257 1.00 0.00 O ATOM 145 CB TRP A 11 -2.405 7.221 1.236 1.00 0.00 C ATOM 146 CG TRP A 11 -3.756 6.971 1.836 1.00 0.00 C ATOM 147 CD1 TRP A 11 -4.246 7.595 2.932 1.00 0.00 C ATOM 148 CD2 TRP A 11 -4.792 6.046 1.396 1.00 0.00 C ATOM 149 NE1 TRP A 11 -5.517 7.112 3.192 1.00 0.00 N ATOM 150 CE2 TRP A 11 -5.897 6.154 2.273 1.00 0.00 C ATOM 151 CE3 TRP A 11 -4.879 5.131 0.331 1.00 0.00 C ATOM 152 CZ2 TRP A 11 -7.048 5.383 2.099 1.00 0.00 C ATOM 153 CZ3 TRP A 11 -6.035 4.353 0.154 1.00 0.00 C ATOM 154 CH2 TRP A 11 -7.118 4.479 1.037 1.00 0.00 C ATOM 0 H TRP A 11 -4.644 8.124 -0.088 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.779 8.983 0.164 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.966 6.278 0.910 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.738 7.640 1.990 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.730 8.347 3.510 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.101 7.425 3.967 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -4.052 5.026 -0.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -7.879 5.485 2.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -6.091 3.653 -0.667 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -8.004 3.878 0.896 1.00 0.00 H new ATOM 165 N TYR A 12 -2.747 7.900 -2.357 1.00 0.00 N ATOM 166 CA TYR A 12 -2.516 7.198 -3.651 1.00 0.00 C ATOM 167 C TYR A 12 -1.780 8.131 -4.617 1.00 0.00 C ATOM 168 O TYR A 12 -2.154 9.273 -4.798 1.00 0.00 O ATOM 169 CB TYR A 12 -3.861 6.790 -4.257 1.00 0.00 C ATOM 170 CG TYR A 12 -4.579 8.012 -4.778 1.00 0.00 C ATOM 171 CD1 TYR A 12 -5.393 8.764 -3.922 1.00 0.00 C ATOM 172 CD2 TYR A 12 -4.432 8.392 -6.118 1.00 0.00 C ATOM 173 CE1 TYR A 12 -6.060 9.897 -4.407 1.00 0.00 C ATOM 174 CE2 TYR A 12 -5.100 9.523 -6.602 1.00 0.00 C ATOM 175 CZ TYR A 12 -5.914 10.276 -5.747 1.00 0.00 C ATOM 176 OH TYR A 12 -6.573 11.390 -6.224 1.00 0.00 O ATOM 0 H TYR A 12 -3.311 8.748 -2.417 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.911 6.308 -3.478 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.704 6.077 -5.066 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.472 6.291 -3.505 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.507 8.471 -2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.803 7.813 -6.778 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.687 10.478 -3.747 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.987 9.815 -7.636 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.363 11.513 -7.173 1.00 0.00 H new ATOM 186 N HIS A 13 -0.737 7.653 -5.238 1.00 0.00 N ATOM 187 CA HIS A 13 0.020 8.514 -6.191 1.00 0.00 C ATOM 188 C HIS A 13 -0.471 8.250 -7.615 1.00 0.00 C ATOM 189 O HIS A 13 -1.076 7.235 -7.896 1.00 0.00 O ATOM 190 CB HIS A 13 1.513 8.191 -6.097 1.00 0.00 C ATOM 191 CG HIS A 13 1.895 8.009 -4.655 1.00 0.00 C ATOM 192 ND1 HIS A 13 1.382 8.812 -3.649 1.00 0.00 N ATOM 193 CD2 HIS A 13 2.737 7.121 -4.033 1.00 0.00 C ATOM 194 CE1 HIS A 13 1.915 8.396 -2.486 1.00 0.00 C ATOM 195 NE2 HIS A 13 2.749 7.367 -2.663 1.00 0.00 N ATOM 0 H HIS A 13 -0.376 6.705 -5.127 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.140 9.562 -5.940 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.736 7.285 -6.661 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.099 8.996 -6.541 1.00 0.00 H new ATOM 0 HD1 HIS A 13 0.720 9.579 -3.769 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.304 6.349 -4.531 1.00 0.00 H new ATOM 0 HE1 HIS A 13 1.696 8.840 -1.526 1.00 0.00 H new ATOM 203 N ALA A 14 -0.217 9.159 -8.516 1.00 0.00 N ATOM 204 CA ALA A 14 -0.669 8.962 -9.921 1.00 0.00 C ATOM 205 C ALA A 14 0.040 7.749 -10.523 1.00 0.00 C ATOM 206 O ALA A 14 0.552 6.902 -9.816 1.00 0.00 O ATOM 207 CB ALA A 14 -0.334 10.208 -10.744 1.00 0.00 C ATOM 0 H ALA A 14 0.284 10.030 -8.339 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.746 8.795 -9.934 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.665 10.064 -11.773 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.841 11.073 -10.317 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.743 10.375 -10.729 1.00 0.00 H new ATOM 213 N SER A 15 0.072 7.657 -11.823 1.00 0.00 N ATOM 214 CA SER A 15 0.745 6.499 -12.473 1.00 0.00 C ATOM 215 C SER A 15 2.072 6.957 -13.084 1.00 0.00 C ATOM 216 O SER A 15 2.100 7.727 -14.023 1.00 0.00 O ATOM 217 CB SER A 15 -0.158 5.940 -13.573 1.00 0.00 C ATOM 218 OG SER A 15 -0.967 6.987 -14.093 1.00 0.00 O ATOM 0 H SER A 15 -0.340 8.335 -12.464 1.00 0.00 H new ATOM 0 HA SER A 15 0.937 5.724 -11.730 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.446 5.502 -14.368 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.786 5.143 -13.174 1.00 0.00 H new ATOM 0 HG SER A 15 -1.546 6.633 -14.800 1.00 0.00 H new ATOM 224 N LEU A 16 3.170 6.489 -12.557 1.00 0.00 N ATOM 225 CA LEU A 16 4.494 6.897 -13.107 1.00 0.00 C ATOM 226 C LEU A 16 4.962 5.864 -14.134 1.00 0.00 C ATOM 227 O LEU A 16 4.877 6.078 -15.327 1.00 0.00 O ATOM 228 CB LEU A 16 5.514 6.983 -11.969 1.00 0.00 C ATOM 229 CG LEU A 16 5.018 7.968 -10.910 1.00 0.00 C ATOM 230 CD1 LEU A 16 4.231 7.212 -9.839 1.00 0.00 C ATOM 231 CD2 LEU A 16 6.218 8.665 -10.264 1.00 0.00 C ATOM 0 H LEU A 16 3.208 5.842 -11.769 1.00 0.00 H new ATOM 0 HA LEU A 16 4.402 7.871 -13.588 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.662 5.999 -11.524 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.480 7.306 -12.357 1.00 0.00 H new ATOM 0 HG LEU A 16 4.372 8.711 -11.378 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.877 7.914 -9.084 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.378 6.713 -10.299 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.876 6.469 -9.370 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.867 9.368 -9.508 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.862 7.921 -9.796 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.780 9.203 -11.027 1.00 0.00 H new ATOM 243 N THR A 17 5.458 4.745 -13.681 1.00 0.00 N ATOM 244 CA THR A 17 5.933 3.700 -14.630 1.00 0.00 C ATOM 245 C THR A 17 6.065 2.364 -13.893 1.00 0.00 C ATOM 246 O THR A 17 6.009 2.310 -12.681 1.00 0.00 O ATOM 247 CB THR A 17 7.290 4.116 -15.195 1.00 0.00 C ATOM 248 OG1 THR A 17 7.111 5.182 -16.119 1.00 0.00 O ATOM 249 CG2 THR A 17 7.946 2.931 -15.903 1.00 0.00 C ATOM 0 H THR A 17 5.555 4.510 -12.693 1.00 0.00 H new ATOM 0 HA THR A 17 5.219 3.589 -15.446 1.00 0.00 H new ATOM 0 HB THR A 17 7.933 4.444 -14.378 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.157 5.395 -16.192 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.913 3.236 -16.303 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.088 2.116 -15.193 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.306 2.595 -16.719 1.00 0.00 H new ATOM 257 N ARG A 18 6.237 1.286 -14.613 1.00 0.00 N ATOM 258 CA ARG A 18 6.376 -0.043 -13.949 1.00 0.00 C ATOM 259 C ARG A 18 7.838 -0.269 -13.546 1.00 0.00 C ATOM 260 O ARG A 18 8.367 -1.356 -13.669 1.00 0.00 O ATOM 261 CB ARG A 18 5.937 -1.143 -14.919 1.00 0.00 C ATOM 262 CG ARG A 18 4.562 -1.673 -14.506 1.00 0.00 C ATOM 263 CD ARG A 18 3.894 -2.347 -15.706 1.00 0.00 C ATOM 264 NE ARG A 18 3.380 -3.685 -15.301 1.00 0.00 N ATOM 265 CZ ARG A 18 2.533 -4.317 -16.067 1.00 0.00 C ATOM 266 NH1 ARG A 18 2.780 -4.452 -17.341 1.00 0.00 N ATOM 267 NH2 ARG A 18 1.437 -4.812 -15.559 1.00 0.00 N ATOM 0 H ARG A 18 6.287 1.269 -15.632 1.00 0.00 H new ATOM 0 HA ARG A 18 5.749 -0.070 -13.058 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.897 -0.751 -15.935 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.665 -1.954 -14.919 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.666 -2.385 -13.687 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.940 -0.856 -14.141 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.076 -1.728 -16.076 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.609 -2.452 -16.522 1.00 0.00 H new ATOM 0 HE ARG A 18 3.690 -4.107 -14.426 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.635 -4.064 -17.739 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.118 -4.946 -17.939 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.243 -4.705 -14.563 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.775 -5.306 -16.158 1.00 0.00 H new ATOM 281 N ALA A 19 8.495 0.750 -13.065 1.00 0.00 N ATOM 282 CA ALA A 19 9.918 0.603 -12.653 1.00 0.00 C ATOM 283 C ALA A 19 10.377 1.900 -11.987 1.00 0.00 C ATOM 284 O ALA A 19 11.150 1.892 -11.049 1.00 0.00 O ATOM 285 CB ALA A 19 10.782 0.326 -13.885 1.00 0.00 C ATOM 0 H ALA A 19 8.104 1.684 -12.939 1.00 0.00 H new ATOM 0 HA ALA A 19 10.016 -0.227 -11.953 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.824 0.219 -13.582 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.447 -0.593 -14.365 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.692 1.155 -14.587 1.00 0.00 H new ATOM 291 N GLN A 20 9.897 3.017 -12.463 1.00 0.00 N ATOM 292 CA GLN A 20 10.294 4.321 -11.863 1.00 0.00 C ATOM 293 C GLN A 20 9.780 4.397 -10.424 1.00 0.00 C ATOM 294 O GLN A 20 10.361 5.051 -9.581 1.00 0.00 O ATOM 295 CB GLN A 20 9.682 5.460 -12.682 1.00 0.00 C ATOM 296 CG GLN A 20 10.593 6.686 -12.616 1.00 0.00 C ATOM 297 CD GLN A 20 9.956 7.748 -11.717 1.00 0.00 C ATOM 298 OE1 GLN A 20 8.833 8.154 -11.940 1.00 0.00 O ATOM 299 NE2 GLN A 20 10.631 8.217 -10.704 1.00 0.00 N ATOM 0 H GLN A 20 9.245 3.082 -13.244 1.00 0.00 H new ATOM 0 HA GLN A 20 11.380 4.410 -11.866 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.551 5.147 -13.718 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.693 5.708 -12.297 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.572 6.405 -12.227 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.751 7.089 -13.616 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.574 7.876 -10.517 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.216 8.925 -10.098 1.00 0.00 H new ATOM 308 N ALA A 21 8.693 3.734 -10.137 1.00 0.00 N ATOM 309 CA ALA A 21 8.140 3.770 -8.753 1.00 0.00 C ATOM 310 C ALA A 21 8.952 2.838 -7.849 1.00 0.00 C ATOM 311 O ALA A 21 9.066 3.055 -6.659 1.00 0.00 O ATOM 312 CB ALA A 21 6.680 3.314 -8.773 1.00 0.00 C ATOM 0 H ALA A 21 8.164 3.169 -10.801 1.00 0.00 H new ATOM 0 HA ALA A 21 8.198 4.788 -8.369 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.277 3.341 -7.761 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.100 3.979 -9.412 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.622 2.297 -9.160 1.00 0.00 H new ATOM 318 N GLU A 22 9.519 1.802 -8.405 1.00 0.00 N ATOM 319 CA GLU A 22 10.322 0.860 -7.577 1.00 0.00 C ATOM 320 C GLU A 22 11.688 1.484 -7.279 1.00 0.00 C ATOM 321 O GLU A 22 12.354 1.124 -6.328 1.00 0.00 O ATOM 322 CB GLU A 22 10.516 -0.452 -8.343 1.00 0.00 C ATOM 323 CG GLU A 22 9.726 -1.572 -7.658 1.00 0.00 C ATOM 324 CD GLU A 22 10.677 -2.713 -7.293 1.00 0.00 C ATOM 325 OE1 GLU A 22 11.842 -2.436 -7.059 1.00 0.00 O ATOM 326 OE2 GLU A 22 10.224 -3.845 -7.254 1.00 0.00 O ATOM 0 H GLU A 22 9.461 1.568 -9.396 1.00 0.00 H new ATOM 0 HA GLU A 22 9.801 0.661 -6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.181 -0.335 -9.374 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.574 -0.710 -8.379 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.236 -1.191 -6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.941 -1.936 -8.320 1.00 0.00 H new ATOM 333 N HIS A 23 12.112 2.417 -8.088 1.00 0.00 N ATOM 334 CA HIS A 23 13.435 3.064 -7.857 1.00 0.00 C ATOM 335 C HIS A 23 13.281 4.216 -6.860 1.00 0.00 C ATOM 336 O HIS A 23 13.975 4.283 -5.864 1.00 0.00 O ATOM 337 CB HIS A 23 13.969 3.611 -9.183 1.00 0.00 C ATOM 338 CG HIS A 23 15.091 2.736 -9.671 1.00 0.00 C ATOM 339 ND1 HIS A 23 14.863 1.513 -10.282 1.00 0.00 N ATOM 340 CD2 HIS A 23 16.455 2.893 -9.644 1.00 0.00 C ATOM 341 CE1 HIS A 23 16.062 0.987 -10.596 1.00 0.00 C ATOM 342 NE2 HIS A 23 17.066 1.788 -10.230 1.00 0.00 N ATOM 0 H HIS A 23 11.598 2.759 -8.900 1.00 0.00 H new ATOM 0 HA HIS A 23 14.131 2.328 -7.454 1.00 0.00 H new ATOM 0 HB2 HIS A 23 13.170 3.643 -9.924 1.00 0.00 H new ATOM 0 HB3 HIS A 23 14.322 4.634 -9.051 1.00 0.00 H new ATOM 0 HD2 HIS A 23 16.975 3.745 -9.231 1.00 0.00 H new ATOM 0 HE1 HIS A 23 16.196 0.033 -11.085 1.00 0.00 H new ATOM 0 HE2 HIS A 23 18.065 1.625 -10.353 1.00 0.00 H new ATOM 350 N MET A 24 12.383 5.125 -7.121 1.00 0.00 N ATOM 351 CA MET A 24 12.191 6.275 -6.191 1.00 0.00 C ATOM 352 C MET A 24 12.051 5.766 -4.755 1.00 0.00 C ATOM 353 O MET A 24 12.438 6.428 -3.813 1.00 0.00 O ATOM 354 CB MET A 24 10.928 7.045 -6.585 1.00 0.00 C ATOM 355 CG MET A 24 9.733 6.091 -6.608 1.00 0.00 C ATOM 356 SD MET A 24 8.218 7.012 -6.247 1.00 0.00 S ATOM 357 CE MET A 24 8.473 7.179 -4.464 1.00 0.00 C ATOM 0 H MET A 24 11.773 5.122 -7.938 1.00 0.00 H new ATOM 0 HA MET A 24 13.056 6.935 -6.254 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.747 7.854 -5.877 1.00 0.00 H new ATOM 0 HB3 MET A 24 11.060 7.503 -7.565 1.00 0.00 H new ATOM 0 HG2 MET A 24 9.656 5.611 -7.584 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.873 5.298 -5.873 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.718 6.600 -3.933 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.464 6.809 -4.202 1.00 0.00 H new ATOM 0 HE3 MET A 24 8.391 8.229 -4.181 1.00 0.00 H new ATOM 367 N LEU A 25 11.500 4.596 -4.577 1.00 0.00 N ATOM 368 CA LEU A 25 11.338 4.054 -3.198 1.00 0.00 C ATOM 369 C LEU A 25 12.638 3.375 -2.761 1.00 0.00 C ATOM 370 O LEU A 25 13.100 3.551 -1.654 1.00 0.00 O ATOM 371 CB LEU A 25 10.197 3.034 -3.179 1.00 0.00 C ATOM 372 CG LEU A 25 8.857 3.768 -3.124 1.00 0.00 C ATOM 373 CD1 LEU A 25 7.823 3.009 -3.957 1.00 0.00 C ATOM 374 CD2 LEU A 25 8.380 3.848 -1.672 1.00 0.00 C ATOM 0 H LEU A 25 11.156 3.994 -5.325 1.00 0.00 H new ATOM 0 HA LEU A 25 11.106 4.869 -2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.243 2.405 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.298 2.375 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 25 8.978 4.774 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.868 3.533 -3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.162 2.950 -4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.701 2.002 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.425 4.371 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.260 2.841 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.116 4.389 -1.077 1.00 0.00 H new ATOM 386 N MET A 26 13.235 2.601 -3.625 1.00 0.00 N ATOM 387 CA MET A 26 14.506 1.912 -3.262 1.00 0.00 C ATOM 388 C MET A 26 15.514 2.926 -2.711 1.00 0.00 C ATOM 389 O MET A 26 16.476 2.567 -2.061 1.00 0.00 O ATOM 390 CB MET A 26 15.091 1.242 -4.507 1.00 0.00 C ATOM 391 CG MET A 26 15.172 -0.269 -4.284 1.00 0.00 C ATOM 392 SD MET A 26 16.733 -0.895 -4.954 1.00 0.00 S ATOM 393 CE MET A 26 16.042 -2.288 -5.879 1.00 0.00 C ATOM 0 H MET A 26 12.897 2.415 -4.569 1.00 0.00 H new ATOM 0 HA MET A 26 14.301 1.161 -2.499 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.469 1.459 -5.376 1.00 0.00 H new ATOM 0 HB3 MET A 26 16.083 1.643 -4.717 1.00 0.00 H new ATOM 0 HG2 MET A 26 15.104 -0.494 -3.220 1.00 0.00 H new ATOM 0 HG3 MET A 26 14.331 -0.765 -4.769 1.00 0.00 H new ATOM 0 HE1 MET A 26 16.846 -2.826 -6.382 1.00 0.00 H new ATOM 0 HE2 MET A 26 15.529 -2.962 -5.193 1.00 0.00 H new ATOM 0 HE3 MET A 26 15.335 -1.917 -6.621 1.00 0.00 H new ATOM 403 N ARG A 27 15.313 4.188 -2.978 1.00 0.00 N ATOM 404 CA ARG A 27 16.268 5.223 -2.486 1.00 0.00 C ATOM 405 C ARG A 27 15.950 5.615 -1.040 1.00 0.00 C ATOM 406 O ARG A 27 16.287 6.694 -0.597 1.00 0.00 O ATOM 407 CB ARG A 27 16.155 6.462 -3.370 1.00 0.00 C ATOM 408 CG ARG A 27 17.016 6.274 -4.618 1.00 0.00 C ATOM 409 CD ARG A 27 17.440 7.640 -5.158 1.00 0.00 C ATOM 410 NE ARG A 27 18.874 7.886 -4.829 1.00 0.00 N ATOM 411 CZ ARG A 27 19.364 7.478 -3.690 1.00 0.00 C ATOM 412 NH1 ARG A 27 18.820 7.867 -2.569 1.00 0.00 N ATOM 413 NH2 ARG A 27 20.397 6.681 -3.671 1.00 0.00 N ATOM 0 H ARG A 27 14.526 4.548 -3.518 1.00 0.00 H new ATOM 0 HA ARG A 27 17.277 4.814 -2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 27 15.115 6.627 -3.653 1.00 0.00 H new ATOM 0 HB3 ARG A 27 16.480 7.346 -2.820 1.00 0.00 H new ATOM 0 HG2 ARG A 27 17.896 5.677 -4.379 1.00 0.00 H new ATOM 0 HG3 ARG A 27 16.458 5.728 -5.379 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.293 7.677 -6.237 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.818 8.423 -4.724 1.00 0.00 H new ATOM 0 HE ARG A 27 19.473 8.374 -5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.012 8.490 -2.583 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.203 7.548 -1.679 1.00 0.00 H new ATOM 0 HH21 ARG A 27 20.822 6.376 -4.547 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.779 6.363 -2.781 1.00 0.00 H new ATOM 427 N VAL A 28 15.308 4.759 -0.297 1.00 0.00 N ATOM 428 CA VAL A 28 14.983 5.111 1.115 1.00 0.00 C ATOM 429 C VAL A 28 15.568 4.052 2.061 1.00 0.00 C ATOM 430 O VAL A 28 15.158 2.908 2.033 1.00 0.00 O ATOM 431 CB VAL A 28 13.466 5.165 1.283 1.00 0.00 C ATOM 432 CG1 VAL A 28 12.873 3.793 0.971 1.00 0.00 C ATOM 433 CG2 VAL A 28 13.127 5.553 2.723 1.00 0.00 C ATOM 0 H VAL A 28 14.996 3.837 -0.602 1.00 0.00 H new ATOM 0 HA VAL A 28 15.414 6.083 1.356 1.00 0.00 H new ATOM 0 HB VAL A 28 13.049 5.905 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.790 3.829 1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.116 3.516 -0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.289 3.053 1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.044 5.592 2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.542 4.813 3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.552 6.531 2.946 1.00 0.00 H new ATOM 443 N PRO A 29 16.509 4.468 2.872 1.00 0.00 N ATOM 444 CA PRO A 29 17.208 3.610 3.867 1.00 0.00 C ATOM 445 C PRO A 29 16.337 3.428 5.113 1.00 0.00 C ATOM 446 O PRO A 29 15.256 3.974 5.210 1.00 0.00 O ATOM 447 CB PRO A 29 18.493 4.354 4.221 1.00 0.00 C ATOM 448 CG PRO A 29 18.235 5.828 3.894 1.00 0.00 C ATOM 449 CD PRO A 29 17.038 5.860 2.934 1.00 0.00 C ATOM 0 HA PRO A 29 17.415 2.616 3.470 1.00 0.00 H new ATOM 0 HB2 PRO A 29 18.739 4.226 5.275 1.00 0.00 H new ATOM 0 HB3 PRO A 29 19.336 3.970 3.648 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.020 6.394 4.800 1.00 0.00 H new ATOM 0 HG3 PRO A 29 19.113 6.283 3.435 1.00 0.00 H new ATOM 0 HD2 PRO A 29 16.273 6.550 3.290 1.00 0.00 H new ATOM 0 HD3 PRO A 29 17.342 6.204 1.945 1.00 0.00 H new ATOM 457 N ARG A 30 16.799 2.665 6.067 1.00 0.00 N ATOM 458 CA ARG A 30 15.997 2.450 7.306 1.00 0.00 C ATOM 459 C ARG A 30 14.622 1.895 6.927 1.00 0.00 C ATOM 460 O ARG A 30 13.695 2.634 6.666 1.00 0.00 O ATOM 461 CB ARG A 30 15.823 3.781 8.040 1.00 0.00 C ATOM 462 CG ARG A 30 16.711 3.794 9.286 1.00 0.00 C ATOM 463 CD ARG A 30 18.128 4.221 8.901 1.00 0.00 C ATOM 464 NE ARG A 30 19.064 3.901 10.015 1.00 0.00 N ATOM 465 CZ ARG A 30 20.352 3.896 9.805 1.00 0.00 C ATOM 466 NH1 ARG A 30 20.946 2.799 9.423 1.00 0.00 N ATOM 467 NH2 ARG A 30 21.045 4.988 9.975 1.00 0.00 N ATOM 0 H ARG A 30 17.697 2.181 6.042 1.00 0.00 H new ATOM 0 HA ARG A 30 16.512 1.743 7.956 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.088 4.609 7.382 1.00 0.00 H new ATOM 0 HB3 ARG A 30 14.779 3.920 8.322 1.00 0.00 H new ATOM 0 HG2 ARG A 30 16.303 4.479 10.029 1.00 0.00 H new ATOM 0 HG3 ARG A 30 16.730 2.804 9.742 1.00 0.00 H new ATOM 0 HD2 ARG A 30 18.439 3.707 7.991 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.152 5.290 8.688 1.00 0.00 H new ATOM 0 HE ARG A 30 18.698 3.686 10.942 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.404 1.946 9.289 1.00 0.00 H new ATOM 0 HH12 ARG A 30 21.953 2.795 9.259 1.00 0.00 H new ATOM 0 HH21 ARG A 30 20.580 5.846 10.272 1.00 0.00 H new ATOM 0 HH22 ARG A 30 22.052 4.984 9.811 1.00 0.00 H new ATOM 481 N ASP A 31 14.482 0.598 6.887 1.00 0.00 N ATOM 482 CA ASP A 31 13.167 0.009 6.516 1.00 0.00 C ATOM 483 C ASP A 31 12.733 0.588 5.169 1.00 0.00 C ATOM 484 O ASP A 31 13.481 1.291 4.519 1.00 0.00 O ATOM 485 CB ASP A 31 12.128 0.361 7.582 1.00 0.00 C ATOM 486 CG ASP A 31 12.141 -0.705 8.679 1.00 0.00 C ATOM 487 OD1 ASP A 31 12.009 -1.871 8.347 1.00 0.00 O ATOM 488 OD2 ASP A 31 12.283 -0.336 9.833 1.00 0.00 O ATOM 0 H ASP A 31 15.219 -0.076 7.095 1.00 0.00 H new ATOM 0 HA ASP A 31 13.253 -1.075 6.446 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.347 1.340 8.009 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.137 0.423 7.132 1.00 0.00 H new ATOM 493 N GLY A 32 11.533 0.311 4.743 1.00 0.00 N ATOM 494 CA GLY A 32 11.072 0.860 3.443 1.00 0.00 C ATOM 495 C GLY A 32 9.954 1.864 3.695 1.00 0.00 C ATOM 496 O GLY A 32 10.178 2.944 4.207 1.00 0.00 O ATOM 0 H GLY A 32 10.856 -0.269 5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.900 1.342 2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.717 0.055 2.799 1.00 0.00 H new ATOM 500 N ALA A 33 8.752 1.517 3.349 1.00 0.00 N ATOM 501 CA ALA A 33 7.617 2.455 3.578 1.00 0.00 C ATOM 502 C ALA A 33 6.303 1.798 3.152 1.00 0.00 C ATOM 503 O ALA A 33 6.248 0.616 2.880 1.00 0.00 O ATOM 504 CB ALA A 33 7.839 3.730 2.762 1.00 0.00 C ATOM 0 H ALA A 33 8.502 0.627 2.918 1.00 0.00 H new ATOM 0 HA ALA A 33 7.565 2.703 4.638 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.010 4.417 2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.770 4.203 3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.895 3.479 1.703 1.00 0.00 H new ATOM 510 N PHE A 34 5.248 2.564 3.075 1.00 0.00 N ATOM 511 CA PHE A 34 3.938 1.996 2.648 1.00 0.00 C ATOM 512 C PHE A 34 3.091 3.105 2.013 1.00 0.00 C ATOM 513 O PHE A 34 3.000 4.200 2.530 1.00 0.00 O ATOM 514 CB PHE A 34 3.209 1.392 3.861 1.00 0.00 C ATOM 515 CG PHE A 34 2.440 2.461 4.607 1.00 0.00 C ATOM 516 CD1 PHE A 34 1.229 2.942 4.093 1.00 0.00 C ATOM 517 CD2 PHE A 34 2.938 2.969 5.811 1.00 0.00 C ATOM 518 CE1 PHE A 34 0.518 3.931 4.784 1.00 0.00 C ATOM 519 CE2 PHE A 34 2.228 3.959 6.502 1.00 0.00 C ATOM 520 CZ PHE A 34 1.018 4.439 5.988 1.00 0.00 C ATOM 0 H PHE A 34 5.238 3.561 3.290 1.00 0.00 H new ATOM 0 HA PHE A 34 4.101 1.206 1.915 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.526 0.610 3.529 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.931 0.923 4.529 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.843 2.550 3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.871 2.598 6.208 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.416 4.301 4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.614 4.352 7.431 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.470 5.202 6.521 1.00 0.00 H new ATOM 530 N LEU A 35 2.471 2.831 0.898 1.00 0.00 N ATOM 531 CA LEU A 35 1.633 3.872 0.237 1.00 0.00 C ATOM 532 C LEU A 35 0.785 3.222 -0.857 1.00 0.00 C ATOM 533 O LEU A 35 0.708 2.015 -0.960 1.00 0.00 O ATOM 534 CB LEU A 35 2.535 4.943 -0.384 1.00 0.00 C ATOM 535 CG LEU A 35 3.843 4.303 -0.854 1.00 0.00 C ATOM 536 CD1 LEU A 35 4.328 5.004 -2.124 1.00 0.00 C ATOM 537 CD2 LEU A 35 4.901 4.445 0.244 1.00 0.00 C ATOM 0 H LEU A 35 2.508 1.933 0.416 1.00 0.00 H new ATOM 0 HA LEU A 35 0.981 4.336 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.028 5.417 -1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.743 5.726 0.346 1.00 0.00 H new ATOM 0 HG LEU A 35 3.676 3.247 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.260 4.548 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.574 4.904 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.496 6.060 -1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.834 3.990 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.068 5.501 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.556 3.945 1.149 1.00 0.00 H new ATOM 549 N VAL A 36 0.147 4.013 -1.675 1.00 0.00 N ATOM 550 CA VAL A 36 -0.696 3.435 -2.758 1.00 0.00 C ATOM 551 C VAL A 36 -0.345 4.097 -4.091 1.00 0.00 C ATOM 552 O VAL A 36 0.501 4.968 -4.160 1.00 0.00 O ATOM 553 CB VAL A 36 -2.172 3.675 -2.436 1.00 0.00 C ATOM 554 CG1 VAL A 36 -3.033 2.673 -3.208 1.00 0.00 C ATOM 555 CG2 VAL A 36 -2.399 3.490 -0.935 1.00 0.00 C ATOM 0 H VAL A 36 0.173 5.032 -1.640 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.510 2.363 -2.830 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.448 4.689 -2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.085 2.844 -2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.870 2.801 -4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.759 1.659 -2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.450 3.660 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.124 2.475 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.785 4.202 -0.384 1.00 0.00 H new ATOM 565 N ARG A 37 -0.987 3.692 -5.153 1.00 0.00 N ATOM 566 CA ARG A 37 -0.688 4.299 -6.480 1.00 0.00 C ATOM 567 C ARG A 37 -1.826 3.981 -7.451 1.00 0.00 C ATOM 568 O ARG A 37 -2.723 3.220 -7.142 1.00 0.00 O ATOM 569 CB ARG A 37 0.627 3.725 -7.022 1.00 0.00 C ATOM 570 CG ARG A 37 0.400 2.299 -7.529 1.00 0.00 C ATOM 571 CD ARG A 37 0.590 2.262 -9.047 1.00 0.00 C ATOM 572 NE ARG A 37 2.031 2.467 -9.372 1.00 0.00 N ATOM 573 CZ ARG A 37 2.476 2.186 -10.566 1.00 0.00 C ATOM 574 NH1 ARG A 37 1.943 2.753 -11.612 1.00 0.00 N ATOM 575 NH2 ARG A 37 3.455 1.334 -10.713 1.00 0.00 N ATOM 0 H ARG A 37 -1.705 2.968 -5.158 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.593 5.380 -6.374 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.003 4.353 -7.830 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.385 3.726 -6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.099 1.615 -7.047 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.604 1.965 -7.269 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.249 1.306 -9.444 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.014 3.037 -9.519 1.00 0.00 H new ATOM 0 HE ARG A 37 2.668 2.827 -8.661 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.177 3.417 -11.498 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.292 2.533 -12.545 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.871 0.889 -9.895 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.804 1.114 -11.646 1.00 0.00 H new ATOM 589 N LYS A 38 -1.799 4.556 -8.621 1.00 0.00 N ATOM 590 CA LYS A 38 -2.881 4.283 -9.605 1.00 0.00 C ATOM 591 C LYS A 38 -2.282 3.686 -10.876 1.00 0.00 C ATOM 592 O LYS A 38 -1.205 4.053 -11.303 1.00 0.00 O ATOM 593 CB LYS A 38 -3.606 5.585 -9.946 1.00 0.00 C ATOM 594 CG LYS A 38 -4.200 6.179 -8.671 1.00 0.00 C ATOM 595 CD LYS A 38 -5.609 5.625 -8.456 1.00 0.00 C ATOM 596 CE LYS A 38 -5.615 4.710 -7.230 1.00 0.00 C ATOM 597 NZ LYS A 38 -6.743 5.088 -6.334 1.00 0.00 N ATOM 0 H LYS A 38 -1.076 5.202 -8.937 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.589 3.576 -9.172 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.913 6.292 -10.402 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.394 5.396 -10.675 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.569 5.937 -7.816 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.233 7.266 -8.745 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.316 6.443 -8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.932 5.072 -9.338 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.715 3.670 -7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.669 4.794 -6.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.405 5.135 -5.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.115 6.017 -6.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.498 4.376 -6.407 1.00 0.00 H new ATOM 611 N ARG A 39 -2.977 2.771 -11.483 1.00 0.00 N ATOM 612 CA ARG A 39 -2.465 2.143 -12.733 1.00 0.00 C ATOM 613 C ARG A 39 -2.969 2.939 -13.935 1.00 0.00 C ATOM 614 O ARG A 39 -3.202 4.130 -13.852 1.00 0.00 O ATOM 615 CB ARG A 39 -2.981 0.704 -12.829 1.00 0.00 C ATOM 616 CG ARG A 39 -2.952 0.042 -11.448 1.00 0.00 C ATOM 617 CD ARG A 39 -1.539 -0.462 -11.150 1.00 0.00 C ATOM 618 NE ARG A 39 -1.092 -1.377 -12.241 1.00 0.00 N ATOM 619 CZ ARG A 39 -1.944 -2.190 -12.805 1.00 0.00 C ATOM 620 NH1 ARG A 39 -2.539 -3.106 -12.092 1.00 0.00 N ATOM 621 NH2 ARG A 39 -2.201 -2.085 -14.080 1.00 0.00 N ATOM 0 H ARG A 39 -3.884 2.427 -11.167 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.375 2.139 -12.722 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.998 0.699 -13.222 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.367 0.135 -13.527 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.263 0.756 -10.685 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.659 -0.787 -11.416 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.852 0.380 -11.064 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.523 -0.985 -10.194 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.119 -1.367 -12.547 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.339 -3.187 -11.095 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.205 -3.742 -12.531 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.736 -1.368 -14.637 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.867 -2.720 -14.520 1.00 0.00 H new ATOM 635 N ASN A 40 -3.152 2.288 -15.050 1.00 0.00 N ATOM 636 CA ASN A 40 -3.661 2.998 -16.258 1.00 0.00 C ATOM 637 C ASN A 40 -5.191 2.961 -16.233 1.00 0.00 C ATOM 638 O ASN A 40 -5.836 2.676 -17.222 1.00 0.00 O ATOM 639 CB ASN A 40 -3.150 2.298 -17.519 1.00 0.00 C ATOM 640 CG ASN A 40 -2.821 3.343 -18.586 1.00 0.00 C ATOM 641 OD1 ASN A 40 -1.937 3.144 -19.396 1.00 0.00 O ATOM 642 ND2 ASN A 40 -3.499 4.458 -18.623 1.00 0.00 N ATOM 0 H ASN A 40 -2.971 1.292 -15.178 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.312 4.030 -16.261 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.263 1.709 -17.286 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.904 1.605 -17.894 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.287 5.161 -19.331 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.241 4.626 -17.944 1.00 0.00 H new ATOM 649 N GLU A 41 -5.767 3.229 -15.095 1.00 0.00 N ATOM 650 CA GLU A 41 -7.249 3.196 -14.962 1.00 0.00 C ATOM 651 C GLU A 41 -7.799 1.906 -15.570 1.00 0.00 C ATOM 652 O GLU A 41 -8.598 1.936 -16.485 1.00 0.00 O ATOM 653 CB GLU A 41 -7.864 4.406 -15.666 1.00 0.00 C ATOM 654 CG GLU A 41 -7.962 5.573 -14.681 1.00 0.00 C ATOM 655 CD GLU A 41 -6.597 6.250 -14.556 1.00 0.00 C ATOM 656 OE1 GLU A 41 -5.927 6.380 -15.568 1.00 0.00 O ATOM 657 OE2 GLU A 41 -6.244 6.627 -13.451 1.00 0.00 O ATOM 0 H GLU A 41 -5.267 3.473 -14.240 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.510 3.230 -13.904 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.254 4.690 -16.524 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.853 4.154 -16.048 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.706 6.291 -15.025 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.292 5.214 -13.706 1.00 0.00 H new ATOM 664 N PRO A 42 -7.357 0.812 -15.017 1.00 0.00 N ATOM 665 CA PRO A 42 -7.753 -0.563 -15.411 1.00 0.00 C ATOM 666 C PRO A 42 -9.060 -0.935 -14.718 1.00 0.00 C ATOM 667 O PRO A 42 -10.136 -0.823 -15.270 1.00 0.00 O ATOM 668 CB PRO A 42 -6.627 -1.464 -14.909 1.00 0.00 C ATOM 669 CG PRO A 42 -5.954 -0.700 -13.763 1.00 0.00 C ATOM 670 CD PRO A 42 -6.374 0.762 -13.900 1.00 0.00 C ATOM 0 HA PRO A 42 -7.904 -0.658 -16.486 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.018 -2.421 -14.563 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.915 -1.679 -15.706 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.262 -1.102 -12.798 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.870 -0.797 -13.818 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.819 1.127 -12.974 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.513 1.396 -14.111 1.00 0.00 H new ATOM 678 N ASN A 43 -8.955 -1.371 -13.501 1.00 0.00 N ATOM 679 CA ASN A 43 -10.158 -1.759 -12.717 1.00 0.00 C ATOM 680 C ASN A 43 -9.721 -2.068 -11.285 1.00 0.00 C ATOM 681 O ASN A 43 -10.130 -3.050 -10.698 1.00 0.00 O ATOM 682 CB ASN A 43 -10.799 -3.001 -13.341 1.00 0.00 C ATOM 683 CG ASN A 43 -9.724 -4.057 -13.600 1.00 0.00 C ATOM 684 OD1 ASN A 43 -8.899 -3.899 -14.477 1.00 0.00 O ATOM 685 ND2 ASN A 43 -9.698 -5.136 -12.866 1.00 0.00 N ATOM 0 H ASN A 43 -8.071 -1.478 -13.004 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.886 -0.948 -12.719 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.564 -3.401 -12.675 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.296 -2.736 -14.274 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.985 -5.847 -13.029 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.391 -5.269 -12.129 1.00 0.00 H new ATOM 692 N SER A 44 -8.881 -1.233 -10.726 1.00 0.00 N ATOM 693 CA SER A 44 -8.393 -1.465 -9.335 1.00 0.00 C ATOM 694 C SER A 44 -7.188 -0.557 -9.062 1.00 0.00 C ATOM 695 O SER A 44 -6.633 0.040 -9.962 1.00 0.00 O ATOM 696 CB SER A 44 -7.961 -2.925 -9.187 1.00 0.00 C ATOM 697 OG SER A 44 -7.598 -3.438 -10.461 1.00 0.00 O ATOM 0 H SER A 44 -8.511 -0.396 -11.177 1.00 0.00 H new ATOM 0 HA SER A 44 -9.191 -1.242 -8.627 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.119 -2.999 -8.499 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.773 -3.515 -8.762 1.00 0.00 H new ATOM 0 HG SER A 44 -7.319 -4.373 -10.370 1.00 0.00 H new ATOM 703 N TYR A 45 -6.781 -0.451 -7.826 1.00 0.00 N ATOM 704 CA TYR A 45 -5.612 0.416 -7.495 1.00 0.00 C ATOM 705 C TYR A 45 -4.372 -0.459 -7.297 1.00 0.00 C ATOM 706 O TYR A 45 -4.381 -1.637 -7.595 1.00 0.00 O ATOM 707 CB TYR A 45 -5.904 1.190 -6.207 1.00 0.00 C ATOM 708 CG TYR A 45 -7.349 1.629 -6.201 1.00 0.00 C ATOM 709 CD1 TYR A 45 -7.854 2.392 -7.260 1.00 0.00 C ATOM 710 CD2 TYR A 45 -8.184 1.271 -5.136 1.00 0.00 C ATOM 711 CE1 TYR A 45 -9.194 2.798 -7.255 1.00 0.00 C ATOM 712 CE2 TYR A 45 -9.525 1.675 -5.131 1.00 0.00 C ATOM 713 CZ TYR A 45 -10.030 2.439 -6.189 1.00 0.00 C ATOM 714 OH TYR A 45 -11.350 2.838 -6.184 1.00 0.00 O ATOM 0 H TYR A 45 -7.207 -0.927 -7.031 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.434 1.119 -8.309 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.699 0.563 -5.339 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.249 2.058 -6.135 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.210 2.668 -8.082 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.794 0.683 -4.318 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.583 3.387 -8.072 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.170 1.397 -4.310 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.790 2.504 -5.374 1.00 0.00 H new ATOM 724 N ALA A 46 -3.302 0.101 -6.795 1.00 0.00 N ATOM 725 CA ALA A 46 -2.072 -0.714 -6.584 1.00 0.00 C ATOM 726 C ALA A 46 -1.300 -0.173 -5.379 1.00 0.00 C ATOM 727 O ALA A 46 -0.883 0.966 -5.360 1.00 0.00 O ATOM 728 CB ALA A 46 -1.188 -0.641 -7.831 1.00 0.00 C ATOM 0 H ALA A 46 -3.228 1.082 -6.524 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.353 -1.751 -6.399 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.289 -1.237 -7.675 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.737 -1.029 -8.689 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.908 0.396 -8.018 1.00 0.00 H new ATOM 734 N ILE A 47 -1.108 -0.981 -4.371 1.00 0.00 N ATOM 735 CA ILE A 47 -0.368 -0.505 -3.170 1.00 0.00 C ATOM 736 C ILE A 47 1.130 -0.760 -3.351 1.00 0.00 C ATOM 737 O ILE A 47 1.553 -1.856 -3.657 1.00 0.00 O ATOM 738 CB ILE A 47 -0.861 -1.259 -1.934 1.00 0.00 C ATOM 739 CG1 ILE A 47 -2.334 -0.923 -1.686 1.00 0.00 C ATOM 740 CG2 ILE A 47 -0.032 -0.842 -0.718 1.00 0.00 C ATOM 741 CD1 ILE A 47 -3.114 -2.214 -1.430 1.00 0.00 C ATOM 0 H ILE A 47 -1.431 -1.947 -4.328 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.542 0.563 -3.043 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.755 -2.332 -2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.427 -0.254 -0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.749 -0.399 -2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.383 -1.379 0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.017 -1.080 -0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.139 0.231 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.163 -1.976 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.031 -2.867 -2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.704 -2.719 -0.556 1.00 0.00 H new ATOM 753 N SER A 48 1.935 0.247 -3.153 1.00 0.00 N ATOM 754 CA SER A 48 3.406 0.069 -3.302 1.00 0.00 C ATOM 755 C SER A 48 4.058 0.171 -1.924 1.00 0.00 C ATOM 756 O SER A 48 3.772 1.071 -1.162 1.00 0.00 O ATOM 757 CB SER A 48 3.963 1.161 -4.213 1.00 0.00 C ATOM 758 OG SER A 48 3.857 2.418 -3.558 1.00 0.00 O ATOM 0 H SER A 48 1.637 1.187 -2.894 1.00 0.00 H new ATOM 0 HA SER A 48 3.618 -0.906 -3.741 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.005 0.951 -4.456 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.414 1.181 -5.154 1.00 0.00 H new ATOM 0 HG SER A 48 4.215 3.121 -4.139 1.00 0.00 H new ATOM 764 N PHE A 49 4.924 -0.746 -1.587 1.00 0.00 N ATOM 765 CA PHE A 49 5.571 -0.680 -0.246 1.00 0.00 C ATOM 766 C PHE A 49 6.630 -1.777 -0.114 1.00 0.00 C ATOM 767 O PHE A 49 6.653 -2.730 -0.869 1.00 0.00 O ATOM 768 CB PHE A 49 4.501 -0.878 0.829 1.00 0.00 C ATOM 769 CG PHE A 49 3.897 -2.254 0.689 1.00 0.00 C ATOM 770 CD1 PHE A 49 4.508 -3.352 1.304 1.00 0.00 C ATOM 771 CD2 PHE A 49 2.727 -2.432 -0.058 1.00 0.00 C ATOM 772 CE1 PHE A 49 3.950 -4.629 1.173 1.00 0.00 C ATOM 773 CE2 PHE A 49 2.167 -3.709 -0.189 1.00 0.00 C ATOM 774 CZ PHE A 49 2.779 -4.808 0.426 1.00 0.00 C ATOM 0 H PHE A 49 5.209 -1.529 -2.175 1.00 0.00 H new ATOM 0 HA PHE A 49 6.052 0.290 -0.125 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.940 -0.761 1.820 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.726 -0.117 0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.411 -3.214 1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.256 -1.584 -0.534 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.422 -5.476 1.648 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.263 -3.846 -0.764 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.348 -5.793 0.324 1.00 0.00 H new ATOM 784 N ARG A 50 7.502 -1.652 0.851 1.00 0.00 N ATOM 785 CA ARG A 50 8.555 -2.688 1.052 1.00 0.00 C ATOM 786 C ARG A 50 9.460 -2.288 2.214 1.00 0.00 C ATOM 787 O ARG A 50 9.043 -1.652 3.163 1.00 0.00 O ATOM 788 CB ARG A 50 9.402 -2.843 -0.215 1.00 0.00 C ATOM 789 CG ARG A 50 9.658 -4.339 -0.477 1.00 0.00 C ATOM 790 CD ARG A 50 11.078 -4.747 -0.068 1.00 0.00 C ATOM 791 NE ARG A 50 11.524 -5.922 -0.871 1.00 0.00 N ATOM 792 CZ ARG A 50 10.669 -6.841 -1.222 1.00 0.00 C ATOM 793 NH1 ARG A 50 10.286 -7.739 -0.356 1.00 0.00 N ATOM 794 NH2 ARG A 50 10.199 -6.864 -2.438 1.00 0.00 N ATOM 0 H ARG A 50 7.530 -0.874 1.510 1.00 0.00 H new ATOM 0 HA ARG A 50 8.067 -3.637 1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.889 -2.396 -1.066 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.349 -2.315 -0.100 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.933 -4.936 0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.507 -4.555 -1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.762 -3.912 -0.219 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.103 -4.992 0.994 1.00 0.00 H new ATOM 0 HE ARG A 50 12.502 -6.007 -1.147 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.656 -7.721 0.594 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.617 -8.459 -0.630 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.500 -6.163 -3.115 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.530 -7.583 -2.713 1.00 0.00 H new ATOM 808 N ALA A 51 10.694 -2.678 2.138 1.00 0.00 N ATOM 809 CA ALA A 51 11.664 -2.379 3.197 1.00 0.00 C ATOM 810 C ALA A 51 12.922 -1.789 2.550 1.00 0.00 C ATOM 811 O ALA A 51 13.029 -1.717 1.340 1.00 0.00 O ATOM 812 CB ALA A 51 11.991 -3.695 3.893 1.00 0.00 C ATOM 0 H ALA A 51 11.076 -3.209 1.355 1.00 0.00 H new ATOM 0 HA ALA A 51 11.271 -1.663 3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.712 -3.515 4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.080 -4.119 4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 51 12.415 -4.393 3.171 1.00 0.00 H new ATOM 818 N GLU A 52 13.874 -1.371 3.336 1.00 0.00 N ATOM 819 CA GLU A 52 15.115 -0.781 2.753 1.00 0.00 C ATOM 820 C GLU A 52 15.859 -1.830 1.921 1.00 0.00 C ATOM 821 O GLU A 52 16.827 -1.526 1.252 1.00 0.00 O ATOM 822 CB GLU A 52 16.024 -0.296 3.884 1.00 0.00 C ATOM 823 CG GLU A 52 16.439 -1.486 4.751 1.00 0.00 C ATOM 824 CD GLU A 52 17.700 -1.128 5.541 1.00 0.00 C ATOM 825 OE1 GLU A 52 18.561 -0.472 4.979 1.00 0.00 O ATOM 826 OE2 GLU A 52 17.782 -1.517 6.694 1.00 0.00 O ATOM 0 H GLU A 52 13.849 -1.411 4.355 1.00 0.00 H new ATOM 0 HA GLU A 52 14.843 0.056 2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.907 0.192 3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.504 0.445 4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.632 -1.750 5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.625 -2.358 4.125 1.00 0.00 H new ATOM 833 N GLY A 53 15.425 -3.060 1.953 1.00 0.00 N ATOM 834 CA GLY A 53 16.120 -4.112 1.162 1.00 0.00 C ATOM 835 C GLY A 53 15.729 -4.012 -0.317 1.00 0.00 C ATOM 836 O GLY A 53 16.556 -4.165 -1.192 1.00 0.00 O ATOM 0 H GLY A 53 14.621 -3.381 2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 53 17.199 -4.003 1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 53 15.860 -5.098 1.548 1.00 0.00 H new ATOM 840 N LYS A 54 14.475 -3.763 -0.610 1.00 0.00 N ATOM 841 CA LYS A 54 14.052 -3.668 -2.046 1.00 0.00 C ATOM 842 C LYS A 54 12.684 -2.987 -2.138 1.00 0.00 C ATOM 843 O LYS A 54 12.342 -2.147 -1.328 1.00 0.00 O ATOM 844 CB LYS A 54 13.960 -5.071 -2.676 1.00 0.00 C ATOM 845 CG LYS A 54 14.684 -6.111 -1.812 1.00 0.00 C ATOM 846 CD LYS A 54 14.204 -7.513 -2.196 1.00 0.00 C ATOM 847 CE LYS A 54 15.413 -8.414 -2.454 1.00 0.00 C ATOM 848 NZ LYS A 54 14.975 -9.838 -2.485 1.00 0.00 N ATOM 0 H LYS A 54 13.732 -3.622 0.074 1.00 0.00 H new ATOM 0 HA LYS A 54 14.795 -3.082 -2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.914 -5.354 -2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.397 -5.055 -3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.762 -6.032 -1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.487 -5.924 -0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.590 -7.930 -1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.578 -7.463 -3.087 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.884 -8.147 -3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.161 -8.269 -1.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.797 -10.450 -2.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.545 -10.089 -1.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.277 -9.970 -3.244 1.00 0.00 H new ATOM 862 N ILE A 55 11.902 -3.334 -3.127 1.00 0.00 N ATOM 863 CA ILE A 55 10.558 -2.702 -3.274 1.00 0.00 C ATOM 864 C ILE A 55 9.564 -3.701 -3.886 1.00 0.00 C ATOM 865 O ILE A 55 9.832 -4.314 -4.899 1.00 0.00 O ATOM 866 CB ILE A 55 10.673 -1.482 -4.190 1.00 0.00 C ATOM 867 CG1 ILE A 55 11.609 -0.454 -3.552 1.00 0.00 C ATOM 868 CG2 ILE A 55 9.291 -0.856 -4.385 1.00 0.00 C ATOM 869 CD1 ILE A 55 10.934 0.155 -2.321 1.00 0.00 C ATOM 0 H ILE A 55 12.136 -4.027 -3.838 1.00 0.00 H new ATOM 0 HA ILE A 55 10.198 -2.400 -2.291 1.00 0.00 H new ATOM 0 HB ILE A 55 11.072 -1.791 -5.156 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.548 -0.929 -3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.852 0.328 -4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.374 0.013 -5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.621 -1.587 -4.838 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.892 -0.547 -3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.600 0.888 -1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.007 0.644 -2.619 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.714 -0.632 -1.600 1.00 0.00 H new ATOM 881 N LYS A 56 8.406 -3.851 -3.288 1.00 0.00 N ATOM 882 CA LYS A 56 7.388 -4.789 -3.853 1.00 0.00 C ATOM 883 C LYS A 56 6.041 -4.075 -3.941 1.00 0.00 C ATOM 884 O LYS A 56 5.497 -3.628 -2.949 1.00 0.00 O ATOM 885 CB LYS A 56 7.237 -6.043 -2.977 1.00 0.00 C ATOM 886 CG LYS A 56 7.507 -5.721 -1.504 1.00 0.00 C ATOM 887 CD LYS A 56 6.364 -6.249 -0.641 1.00 0.00 C ATOM 888 CE LYS A 56 6.688 -7.671 -0.184 1.00 0.00 C ATOM 889 NZ LYS A 56 7.168 -8.469 -1.347 1.00 0.00 N ATOM 0 H LYS A 56 8.124 -3.366 -2.436 1.00 0.00 H new ATOM 0 HA LYS A 56 7.721 -5.100 -4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.231 -6.448 -3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.929 -6.814 -3.317 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.449 -6.171 -1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.608 -4.644 -1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.218 -5.602 0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.432 -6.240 -1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.450 -7.649 0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.802 -8.136 0.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.067 -9.483 -1.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.604 -8.231 -2.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.169 -8.251 -1.528 1.00 0.00 H new ATOM 903 N HIS A 57 5.499 -3.961 -5.121 1.00 0.00 N ATOM 904 CA HIS A 57 4.188 -3.275 -5.276 1.00 0.00 C ATOM 905 C HIS A 57 3.063 -4.212 -4.837 1.00 0.00 C ATOM 906 O HIS A 57 3.299 -5.234 -4.225 1.00 0.00 O ATOM 907 CB HIS A 57 3.990 -2.887 -6.744 1.00 0.00 C ATOM 908 CG HIS A 57 4.889 -1.731 -7.079 1.00 0.00 C ATOM 909 ND1 HIS A 57 6.166 -1.910 -7.589 1.00 0.00 N ATOM 910 CD2 HIS A 57 4.713 -0.374 -6.979 1.00 0.00 C ATOM 911 CE1 HIS A 57 6.703 -0.690 -7.775 1.00 0.00 C ATOM 912 NE2 HIS A 57 5.859 0.282 -7.418 1.00 0.00 N ATOM 0 H HIS A 57 5.909 -4.314 -5.986 1.00 0.00 H new ATOM 0 HA HIS A 57 4.171 -2.378 -4.656 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.215 -3.736 -7.390 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.949 -2.617 -6.923 1.00 0.00 H new ATOM 0 HD1 HIS A 57 6.616 -2.804 -7.787 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.820 0.112 -6.615 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.695 -0.518 -8.165 1.00 0.00 H new ATOM 920 N CYS A 58 1.841 -3.871 -5.142 1.00 0.00 N ATOM 921 CA CYS A 58 0.696 -4.740 -4.743 1.00 0.00 C ATOM 922 C CYS A 58 -0.567 -4.268 -5.470 1.00 0.00 C ATOM 923 O CYS A 58 -0.627 -3.160 -5.965 1.00 0.00 O ATOM 924 CB CYS A 58 0.497 -4.651 -3.227 1.00 0.00 C ATOM 925 SG CYS A 58 -1.064 -5.444 -2.766 1.00 0.00 S ATOM 0 H CYS A 58 1.585 -3.026 -5.652 1.00 0.00 H new ATOM 0 HA CYS A 58 0.900 -5.776 -5.014 1.00 0.00 H new ATOM 0 HB2 CYS A 58 1.327 -5.135 -2.713 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.492 -3.607 -2.912 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.226 -5.367 -1.478 1.00 0.00 H new ATOM 931 N ARG A 59 -1.573 -5.098 -5.556 1.00 0.00 N ATOM 932 CA ARG A 59 -2.817 -4.682 -6.268 1.00 0.00 C ATOM 933 C ARG A 59 -4.027 -4.816 -5.337 1.00 0.00 C ATOM 934 O ARG A 59 -4.037 -5.614 -4.422 1.00 0.00 O ATOM 935 CB ARG A 59 -3.023 -5.567 -7.499 1.00 0.00 C ATOM 936 CG ARG A 59 -2.851 -7.037 -7.110 1.00 0.00 C ATOM 937 CD ARG A 59 -1.401 -7.463 -7.354 1.00 0.00 C ATOM 938 NE ARG A 59 -1.358 -8.914 -7.691 1.00 0.00 N ATOM 939 CZ ARG A 59 -0.282 -9.427 -8.223 1.00 0.00 C ATOM 940 NH1 ARG A 59 0.062 -9.104 -9.440 1.00 0.00 N ATOM 941 NH2 ARG A 59 0.450 -10.263 -7.538 1.00 0.00 N ATOM 0 H ARG A 59 -1.588 -6.041 -5.167 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.717 -3.641 -6.576 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.018 -5.404 -7.914 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.306 -5.300 -8.275 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.112 -7.180 -6.061 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.528 -7.660 -7.694 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.971 -6.877 -8.166 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.799 -7.267 -6.467 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.168 -9.505 -7.506 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.510 -8.451 -9.975 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.903 -9.505 -9.856 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.181 -10.515 -6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.291 -10.664 -7.954 1.00 0.00 H new ATOM 955 N VAL A 60 -5.048 -4.036 -5.575 1.00 0.00 N ATOM 956 CA VAL A 60 -6.270 -4.106 -4.718 1.00 0.00 C ATOM 957 C VAL A 60 -7.510 -3.951 -5.602 1.00 0.00 C ATOM 958 O VAL A 60 -7.603 -3.037 -6.397 1.00 0.00 O ATOM 959 CB VAL A 60 -6.248 -2.983 -3.673 1.00 0.00 C ATOM 960 CG1 VAL A 60 -5.753 -3.539 -2.338 1.00 0.00 C ATOM 961 CG2 VAL A 60 -5.313 -1.857 -4.131 1.00 0.00 C ATOM 0 H VAL A 60 -5.089 -3.350 -6.329 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.294 -5.067 -4.205 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.257 -2.586 -3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.737 -2.741 -1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.421 -4.333 -2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.747 -3.940 -2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.304 -1.064 -3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.304 -2.250 -4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.666 -1.455 -5.081 1.00 0.00 H new ATOM 971 N GLN A 61 -8.461 -4.837 -5.480 1.00 0.00 N ATOM 972 CA GLN A 61 -9.684 -4.733 -6.328 1.00 0.00 C ATOM 973 C GLN A 61 -10.849 -4.179 -5.505 1.00 0.00 C ATOM 974 O GLN A 61 -10.809 -4.149 -4.291 1.00 0.00 O ATOM 975 CB GLN A 61 -10.052 -6.120 -6.859 1.00 0.00 C ATOM 976 CG GLN A 61 -9.587 -6.250 -8.310 1.00 0.00 C ATOM 977 CD GLN A 61 -10.425 -7.315 -9.019 1.00 0.00 C ATOM 978 OE1 GLN A 61 -10.633 -7.245 -10.214 1.00 0.00 O ATOM 979 NE2 GLN A 61 -10.920 -8.304 -8.328 1.00 0.00 N ATOM 0 H GLN A 61 -8.445 -5.625 -4.833 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.484 -4.059 -7.161 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.586 -6.891 -6.246 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -11.130 -6.271 -6.796 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.686 -5.293 -8.822 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.532 -6.521 -8.342 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.745 -8.363 -7.325 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.482 -9.019 -8.791 1.00 0.00 H new ATOM 988 N GLN A 62 -11.889 -3.741 -6.163 1.00 0.00 N ATOM 989 CA GLN A 62 -13.065 -3.189 -5.431 1.00 0.00 C ATOM 990 C GLN A 62 -14.317 -3.334 -6.299 1.00 0.00 C ATOM 991 O GLN A 62 -14.287 -3.101 -7.491 1.00 0.00 O ATOM 992 CB GLN A 62 -12.826 -1.709 -5.121 1.00 0.00 C ATOM 993 CG GLN A 62 -14.131 -1.073 -4.640 1.00 0.00 C ATOM 994 CD GLN A 62 -13.829 -0.065 -3.530 1.00 0.00 C ATOM 995 OE1 GLN A 62 -13.002 0.809 -3.695 1.00 0.00 O ATOM 996 NE2 GLN A 62 -14.469 -0.151 -2.396 1.00 0.00 N ATOM 0 H GLN A 62 -11.975 -3.742 -7.179 1.00 0.00 H new ATOM 0 HA GLN A 62 -13.203 -3.736 -4.498 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.055 -1.606 -4.357 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.464 -1.194 -6.011 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.633 -0.576 -5.470 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.809 -1.843 -4.272 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -15.164 -0.885 -2.257 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -14.275 0.516 -1.649 1.00 0.00 H new ATOM 1005 N GLU A 63 -15.420 -3.720 -5.715 1.00 0.00 N ATOM 1006 CA GLU A 63 -16.667 -3.881 -6.517 1.00 0.00 C ATOM 1007 C GLU A 63 -17.674 -2.798 -6.135 1.00 0.00 C ATOM 1008 O GLU A 63 -18.869 -2.985 -6.237 1.00 0.00 O ATOM 1009 CB GLU A 63 -17.274 -5.261 -6.249 1.00 0.00 C ATOM 1010 CG GLU A 63 -17.701 -5.356 -4.784 1.00 0.00 C ATOM 1011 CD GLU A 63 -18.701 -6.502 -4.616 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -18.341 -7.626 -4.925 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -19.811 -6.235 -4.184 1.00 0.00 O ATOM 0 H GLU A 63 -15.511 -3.930 -4.721 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.426 -3.788 -7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -18.133 -5.425 -6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.547 -6.040 -6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.830 -5.524 -4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.152 -4.416 -4.464 1.00 0.00 H new ATOM 1020 N GLY A 64 -17.199 -1.662 -5.710 1.00 0.00 N ATOM 1021 CA GLY A 64 -18.129 -0.558 -5.331 1.00 0.00 C ATOM 1022 C GLY A 64 -18.600 -0.741 -3.885 1.00 0.00 C ATOM 1023 O GLY A 64 -18.200 -0.017 -2.996 1.00 0.00 O ATOM 0 H GLY A 64 -16.207 -1.448 -5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.628 0.404 -5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -18.987 -0.548 -6.003 1.00 0.00 H new ATOM 1027 N GLN A 65 -19.453 -1.700 -3.645 1.00 0.00 N ATOM 1028 CA GLN A 65 -19.956 -1.926 -2.259 1.00 0.00 C ATOM 1029 C GLN A 65 -18.866 -2.589 -1.416 1.00 0.00 C ATOM 1030 O GLN A 65 -18.420 -2.051 -0.423 1.00 0.00 O ATOM 1031 CB GLN A 65 -21.184 -2.838 -2.308 1.00 0.00 C ATOM 1032 CG GLN A 65 -22.434 -2.037 -1.937 1.00 0.00 C ATOM 1033 CD GLN A 65 -23.606 -2.996 -1.713 1.00 0.00 C ATOM 1034 OE1 GLN A 65 -24.304 -3.347 -2.642 1.00 0.00 O ATOM 1035 NE2 GLN A 65 -23.851 -3.437 -0.509 1.00 0.00 N ATOM 0 H GLN A 65 -19.824 -2.338 -4.350 1.00 0.00 H new ATOM 0 HA GLN A 65 -20.226 -0.969 -1.812 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -21.295 -3.262 -3.306 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.057 -3.673 -1.619 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -22.250 -1.453 -1.035 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -22.675 -1.330 -2.731 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -23.264 -3.142 0.271 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -24.629 -4.077 -0.349 1.00 0.00 H new ATOM 1044 N THR A 66 -18.436 -3.759 -1.803 1.00 0.00 N ATOM 1045 CA THR A 66 -17.380 -4.463 -1.027 1.00 0.00 C ATOM 1046 C THR A 66 -16.029 -4.255 -1.712 1.00 0.00 C ATOM 1047 O THR A 66 -15.914 -3.494 -2.652 1.00 0.00 O ATOM 1048 CB THR A 66 -17.708 -5.957 -0.979 1.00 0.00 C ATOM 1049 OG1 THR A 66 -19.002 -6.170 -1.526 1.00 0.00 O ATOM 1050 CG2 THR A 66 -17.679 -6.446 0.469 1.00 0.00 C ATOM 0 H THR A 66 -18.773 -4.258 -2.626 1.00 0.00 H new ATOM 0 HA THR A 66 -17.336 -4.066 -0.013 1.00 0.00 H new ATOM 0 HB THR A 66 -16.969 -6.510 -1.559 1.00 0.00 H new ATOM 0 HG1 THR A 66 -19.215 -7.126 -1.499 1.00 0.00 H new ATOM 0 HG21 THR A 66 -17.913 -7.510 0.498 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.687 -6.281 0.889 1.00 0.00 H new ATOM 0 HG23 THR A 66 -18.416 -5.896 1.054 1.00 0.00 H new ATOM 1058 N VAL A 67 -15.005 -4.925 -1.258 1.00 0.00 N ATOM 1059 CA VAL A 67 -13.670 -4.757 -1.899 1.00 0.00 C ATOM 1060 C VAL A 67 -12.912 -6.073 -1.893 1.00 0.00 C ATOM 1061 O VAL A 67 -12.863 -6.764 -0.898 1.00 0.00 O ATOM 1062 CB VAL A 67 -12.808 -3.748 -1.127 1.00 0.00 C ATOM 1063 CG1 VAL A 67 -12.725 -2.434 -1.895 1.00 0.00 C ATOM 1064 CG2 VAL A 67 -13.394 -3.502 0.263 1.00 0.00 C ATOM 0 H VAL A 67 -15.034 -5.578 -0.475 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.849 -4.407 -2.916 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.805 -4.160 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.111 -1.726 -1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.278 -2.612 -2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -13.727 -2.024 -2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.772 -2.785 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.405 -3.105 0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -13.424 -4.440 0.817 1.00 0.00 H new ATOM 1074 N MET A 68 -12.248 -6.385 -2.965 1.00 0.00 N ATOM 1075 CA MET A 68 -11.422 -7.608 -2.971 1.00 0.00 C ATOM 1076 C MET A 68 -10.120 -7.175 -2.326 1.00 0.00 C ATOM 1077 O MET A 68 -9.206 -6.715 -2.985 1.00 0.00 O ATOM 1078 CB MET A 68 -11.180 -8.084 -4.408 1.00 0.00 C ATOM 1079 CG MET A 68 -9.954 -9.001 -4.447 1.00 0.00 C ATOM 1080 SD MET A 68 -10.220 -10.313 -5.666 1.00 0.00 S ATOM 1081 CE MET A 68 -9.612 -11.686 -4.658 1.00 0.00 C ATOM 0 H MET A 68 -12.244 -5.847 -3.831 1.00 0.00 H new ATOM 0 HA MET A 68 -11.894 -8.439 -2.446 1.00 0.00 H new ATOM 0 HB2 MET A 68 -12.056 -8.616 -4.778 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.027 -7.227 -5.064 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.064 -8.426 -4.704 1.00 0.00 H new ATOM 0 HG3 MET A 68 -9.780 -9.435 -3.462 1.00 0.00 H new ATOM 0 HE1 MET A 68 -9.686 -12.614 -5.225 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.571 -11.507 -4.389 1.00 0.00 H new ATOM 0 HE3 MET A 68 -10.212 -11.766 -3.752 1.00 0.00 H new ATOM 1091 N LEU A 69 -10.054 -7.249 -1.029 1.00 0.00 N ATOM 1092 CA LEU A 69 -8.839 -6.763 -0.335 1.00 0.00 C ATOM 1093 C LEU A 69 -7.682 -7.729 -0.596 1.00 0.00 C ATOM 1094 O LEU A 69 -6.635 -7.343 -1.075 1.00 0.00 O ATOM 1095 CB LEU A 69 -9.124 -6.662 1.170 1.00 0.00 C ATOM 1096 CG LEU A 69 -7.813 -6.622 1.967 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -7.269 -8.042 2.133 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -6.780 -5.760 1.232 1.00 0.00 C ATOM 0 H LEU A 69 -10.785 -7.623 -0.424 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.564 -5.778 -0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.708 -5.765 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.724 -7.514 1.490 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.006 -6.190 2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.338 -8.011 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.998 -8.651 2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.082 -8.477 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.852 -5.737 1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.588 -6.184 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.164 -4.746 1.122 1.00 0.00 H new ATOM 1110 N GLY A 70 -7.863 -8.983 -0.291 1.00 0.00 N ATOM 1111 CA GLY A 70 -6.774 -9.971 -0.527 1.00 0.00 C ATOM 1112 C GLY A 70 -7.388 -11.360 -0.684 1.00 0.00 C ATOM 1113 O GLY A 70 -7.177 -12.037 -1.671 1.00 0.00 O ATOM 0 H GLY A 70 -8.718 -9.367 0.112 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.212 -9.705 -1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.071 -9.962 0.306 1.00 0.00 H new ATOM 1117 N ASN A 71 -8.152 -11.785 0.281 1.00 0.00 N ATOM 1118 CA ASN A 71 -8.788 -13.127 0.192 1.00 0.00 C ATOM 1119 C ASN A 71 -10.241 -13.031 0.662 1.00 0.00 C ATOM 1120 O ASN A 71 -10.927 -14.026 0.789 1.00 0.00 O ATOM 1121 CB ASN A 71 -8.026 -14.111 1.084 1.00 0.00 C ATOM 1122 CG ASN A 71 -8.210 -15.533 0.552 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -8.755 -15.729 -0.517 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -7.776 -16.541 1.258 1.00 0.00 N ATOM 0 H ASN A 71 -8.364 -11.260 1.129 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.761 -13.477 -0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.967 -13.854 1.105 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.390 -14.045 2.109 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.894 -17.494 0.913 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.319 -16.376 2.155 1.00 0.00 H new ATOM 1131 N SER A 72 -10.716 -11.843 0.928 1.00 0.00 N ATOM 1132 CA SER A 72 -12.123 -11.696 1.394 1.00 0.00 C ATOM 1133 C SER A 72 -12.686 -10.340 0.955 1.00 0.00 C ATOM 1134 O SER A 72 -11.982 -9.495 0.423 1.00 0.00 O ATOM 1135 CB SER A 72 -12.162 -11.790 2.919 1.00 0.00 C ATOM 1136 OG SER A 72 -10.949 -11.278 3.453 1.00 0.00 O ATOM 0 H SER A 72 -10.192 -10.972 0.843 1.00 0.00 H new ATOM 0 HA SER A 72 -12.728 -12.491 0.957 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.010 -11.227 3.308 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.300 -12.826 3.227 1.00 0.00 H new ATOM 0 HG SER A 72 -10.972 -11.336 4.431 1.00 0.00 H new ATOM 1142 N GLU A 73 -13.956 -10.128 1.180 1.00 0.00 N ATOM 1143 CA GLU A 73 -14.585 -8.836 0.790 1.00 0.00 C ATOM 1144 C GLU A 73 -14.716 -7.944 2.025 1.00 0.00 C ATOM 1145 O GLU A 73 -15.353 -8.304 2.996 1.00 0.00 O ATOM 1146 CB GLU A 73 -15.972 -9.099 0.202 1.00 0.00 C ATOM 1147 CG GLU A 73 -15.886 -10.236 -0.816 1.00 0.00 C ATOM 1148 CD GLU A 73 -16.175 -9.690 -2.216 1.00 0.00 C ATOM 1149 OE1 GLU A 73 -17.332 -9.433 -2.503 1.00 0.00 O ATOM 1150 OE2 GLU A 73 -15.233 -9.538 -2.977 1.00 0.00 O ATOM 0 H GLU A 73 -14.586 -10.799 1.620 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.964 -8.339 0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -16.672 -9.359 0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.353 -8.197 -0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.895 -10.689 -0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.602 -11.019 -0.564 1.00 0.00 H new ATOM 1157 N PHE A 74 -14.117 -6.786 2.002 1.00 0.00 N ATOM 1158 CA PHE A 74 -14.209 -5.880 3.182 1.00 0.00 C ATOM 1159 C PHE A 74 -15.385 -4.917 3.007 1.00 0.00 C ATOM 1160 O PHE A 74 -16.098 -4.963 2.025 1.00 0.00 O ATOM 1161 CB PHE A 74 -12.911 -5.085 3.319 1.00 0.00 C ATOM 1162 CG PHE A 74 -12.117 -5.630 4.480 1.00 0.00 C ATOM 1163 CD1 PHE A 74 -11.475 -6.868 4.366 1.00 0.00 C ATOM 1164 CD2 PHE A 74 -12.026 -4.901 5.672 1.00 0.00 C ATOM 1165 CE1 PHE A 74 -10.742 -7.379 5.444 1.00 0.00 C ATOM 1166 CE2 PHE A 74 -11.293 -5.410 6.750 1.00 0.00 C ATOM 1167 CZ PHE A 74 -10.651 -6.650 6.636 1.00 0.00 C ATOM 0 H PHE A 74 -13.569 -6.428 1.220 1.00 0.00 H new ATOM 0 HA PHE A 74 -14.366 -6.476 4.081 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -12.329 -5.155 2.400 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -13.132 -4.029 3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.545 -7.430 3.446 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -12.522 -3.945 5.760 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.247 -8.335 5.356 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.222 -4.847 7.669 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.086 -7.044 7.468 1.00 0.00 H new ATOM 1177 N ASP A 75 -15.590 -4.047 3.958 1.00 0.00 N ATOM 1178 CA ASP A 75 -16.721 -3.081 3.856 1.00 0.00 C ATOM 1179 C ASP A 75 -16.450 -2.088 2.725 1.00 0.00 C ATOM 1180 O ASP A 75 -17.357 -1.617 2.070 1.00 0.00 O ATOM 1181 CB ASP A 75 -16.856 -2.319 5.176 1.00 0.00 C ATOM 1182 CG ASP A 75 -18.258 -1.719 5.278 1.00 0.00 C ATOM 1183 OD1 ASP A 75 -18.441 -0.608 4.806 1.00 0.00 O ATOM 1184 OD2 ASP A 75 -19.126 -2.378 5.826 1.00 0.00 O ATOM 0 H ASP A 75 -15.023 -3.963 4.802 1.00 0.00 H new ATOM 0 HA ASP A 75 -17.643 -3.624 3.648 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.674 -2.990 6.016 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.106 -1.530 5.231 1.00 0.00 H new ATOM 1189 N SER A 76 -15.208 -1.765 2.493 1.00 0.00 N ATOM 1190 CA SER A 76 -14.881 -0.800 1.408 1.00 0.00 C ATOM 1191 C SER A 76 -13.365 -0.625 1.332 1.00 0.00 C ATOM 1192 O SER A 76 -12.619 -1.346 1.961 1.00 0.00 O ATOM 1193 CB SER A 76 -15.535 0.549 1.710 1.00 0.00 C ATOM 1194 OG SER A 76 -14.650 1.333 2.499 1.00 0.00 O ATOM 0 H SER A 76 -14.406 -2.128 3.008 1.00 0.00 H new ATOM 0 HA SER A 76 -15.255 -1.178 0.457 1.00 0.00 H new ATOM 0 HB2 SER A 76 -15.770 1.069 0.781 1.00 0.00 H new ATOM 0 HB3 SER A 76 -16.477 0.400 2.238 1.00 0.00 H new ATOM 0 HG SER A 76 -14.308 0.792 3.241 1.00 0.00 H new ATOM 1200 N LEU A 77 -12.904 0.326 0.569 1.00 0.00 N ATOM 1201 CA LEU A 77 -11.434 0.540 0.459 1.00 0.00 C ATOM 1202 C LEU A 77 -10.951 1.388 1.637 1.00 0.00 C ATOM 1203 O LEU A 77 -9.822 1.277 2.072 1.00 0.00 O ATOM 1204 CB LEU A 77 -11.119 1.262 -0.852 1.00 0.00 C ATOM 1205 CG LEU A 77 -9.625 1.142 -1.152 1.00 0.00 C ATOM 1206 CD1 LEU A 77 -9.370 -0.119 -1.978 1.00 0.00 C ATOM 1207 CD2 LEU A 77 -9.164 2.371 -1.937 1.00 0.00 C ATOM 0 H LEU A 77 -13.480 0.963 0.018 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.926 -0.424 0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.700 0.830 -1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.403 2.312 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.069 1.079 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.305 -0.205 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.699 -0.994 -1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.924 -0.059 -2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.099 2.287 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.719 2.434 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.345 3.269 -1.346 1.00 0.00 H new ATOM 1219 N VAL A 78 -11.797 2.234 2.157 1.00 0.00 N ATOM 1220 CA VAL A 78 -11.384 3.087 3.307 1.00 0.00 C ATOM 1221 C VAL A 78 -11.251 2.221 4.560 1.00 0.00 C ATOM 1222 O VAL A 78 -10.173 2.046 5.091 1.00 0.00 O ATOM 1223 CB VAL A 78 -12.434 4.172 3.542 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -11.953 5.117 4.645 1.00 0.00 C ATOM 1225 CG2 VAL A 78 -12.645 4.964 2.249 1.00 0.00 C ATOM 0 H VAL A 78 -12.755 2.371 1.836 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.425 3.556 3.087 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.374 3.710 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.702 5.891 4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.800 4.554 5.566 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.014 5.580 4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.394 5.739 2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.705 5.427 1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.987 4.292 1.462 1.00 0.00 H new ATOM 1235 N ASP A 79 -12.335 1.675 5.038 1.00 0.00 N ATOM 1236 CA ASP A 79 -12.258 0.820 6.254 1.00 0.00 C ATOM 1237 C ASP A 79 -11.172 -0.239 6.052 1.00 0.00 C ATOM 1238 O ASP A 79 -10.567 -0.711 6.996 1.00 0.00 O ATOM 1239 CB ASP A 79 -13.606 0.135 6.487 1.00 0.00 C ATOM 1240 CG ASP A 79 -13.829 -0.932 5.415 1.00 0.00 C ATOM 1241 OD1 ASP A 79 -13.659 -0.617 4.249 1.00 0.00 O ATOM 1242 OD2 ASP A 79 -14.168 -2.047 5.778 1.00 0.00 O ATOM 0 H ASP A 79 -13.268 1.784 4.640 1.00 0.00 H new ATOM 0 HA ASP A 79 -12.015 1.435 7.121 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.628 -0.319 7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.410 0.871 6.456 1.00 0.00 H new ATOM 1247 N LEU A 80 -10.919 -0.611 4.826 1.00 0.00 N ATOM 1248 CA LEU A 80 -9.870 -1.635 4.554 1.00 0.00 C ATOM 1249 C LEU A 80 -8.545 -1.176 5.161 1.00 0.00 C ATOM 1250 O LEU A 80 -7.886 -1.911 5.867 1.00 0.00 O ATOM 1251 CB LEU A 80 -9.702 -1.800 3.042 1.00 0.00 C ATOM 1252 CG LEU A 80 -9.706 -3.287 2.678 1.00 0.00 C ATOM 1253 CD1 LEU A 80 -9.435 -3.443 1.181 1.00 0.00 C ATOM 1254 CD2 LEU A 80 -8.613 -4.007 3.469 1.00 0.00 C ATOM 0 H LEU A 80 -11.395 -0.249 4.000 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.166 -2.586 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.509 -1.286 2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.768 -1.340 2.718 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.677 -3.719 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.437 -4.501 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.211 -2.927 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.463 -3.012 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.615 -5.066 3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.642 -3.575 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.802 -3.894 4.537 1.00 0.00 H new ATOM 1266 N ILE A 81 -8.148 0.037 4.888 1.00 0.00 N ATOM 1267 CA ILE A 81 -6.863 0.541 5.446 1.00 0.00 C ATOM 1268 C ILE A 81 -7.087 1.006 6.891 1.00 0.00 C ATOM 1269 O ILE A 81 -6.154 1.213 7.641 1.00 0.00 O ATOM 1270 CB ILE A 81 -6.345 1.690 4.559 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -4.841 1.512 4.343 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -6.610 3.058 5.204 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -4.583 0.167 3.661 1.00 0.00 C ATOM 0 H ILE A 81 -8.658 0.699 4.303 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.113 -0.250 5.456 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.874 1.658 3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.452 2.324 3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.317 1.555 5.298 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.233 3.846 4.553 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.682 3.190 5.350 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.104 3.110 6.168 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.512 0.037 3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.958 -0.639 4.292 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.095 0.143 2.699 1.00 0.00 H new ATOM 1285 N SER A 82 -8.321 1.168 7.285 1.00 0.00 N ATOM 1286 CA SER A 82 -8.609 1.616 8.675 1.00 0.00 C ATOM 1287 C SER A 82 -8.082 0.576 9.664 1.00 0.00 C ATOM 1288 O SER A 82 -7.268 0.873 10.516 1.00 0.00 O ATOM 1289 CB SER A 82 -10.119 1.775 8.858 1.00 0.00 C ATOM 1290 OG SER A 82 -10.373 2.560 10.015 1.00 0.00 O ATOM 0 H SER A 82 -9.143 1.009 6.702 1.00 0.00 H new ATOM 0 HA SER A 82 -8.119 2.573 8.857 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.555 2.250 7.979 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.590 0.797 8.958 1.00 0.00 H new ATOM 0 HG SER A 82 -11.340 2.665 10.133 1.00 0.00 H new ATOM 1296 N TYR A 83 -8.538 -0.644 9.559 1.00 0.00 N ATOM 1297 CA TYR A 83 -8.057 -1.697 10.497 1.00 0.00 C ATOM 1298 C TYR A 83 -6.653 -2.146 10.078 1.00 0.00 C ATOM 1299 O TYR A 83 -5.886 -2.650 10.876 1.00 0.00 O ATOM 1300 CB TYR A 83 -9.026 -2.890 10.475 1.00 0.00 C ATOM 1301 CG TYR A 83 -8.720 -3.796 9.303 1.00 0.00 C ATOM 1302 CD1 TYR A 83 -9.006 -3.378 7.998 1.00 0.00 C ATOM 1303 CD2 TYR A 83 -8.147 -5.054 9.525 1.00 0.00 C ATOM 1304 CE1 TYR A 83 -8.720 -4.220 6.915 1.00 0.00 C ATOM 1305 CE2 TYR A 83 -7.860 -5.894 8.444 1.00 0.00 C ATOM 1306 CZ TYR A 83 -8.147 -5.477 7.138 1.00 0.00 C ATOM 1307 OH TYR A 83 -7.863 -6.307 6.072 1.00 0.00 O ATOM 0 H TYR A 83 -9.220 -0.955 8.867 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.016 -1.297 11.510 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -8.945 -3.450 11.407 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.053 -2.531 10.407 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -9.447 -2.407 7.826 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.926 -5.376 10.532 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.942 -3.899 5.908 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.417 -6.864 8.616 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.112 -5.938 5.561 1.00 0.00 H new ATOM 1317 N TYR A 84 -6.312 -1.967 8.830 1.00 0.00 N ATOM 1318 CA TYR A 84 -4.960 -2.381 8.360 1.00 0.00 C ATOM 1319 C TYR A 84 -3.911 -1.417 8.917 1.00 0.00 C ATOM 1320 O TYR A 84 -2.730 -1.706 8.924 1.00 0.00 O ATOM 1321 CB TYR A 84 -4.919 -2.348 6.830 1.00 0.00 C ATOM 1322 CG TYR A 84 -5.018 -3.751 6.281 1.00 0.00 C ATOM 1323 CD1 TYR A 84 -4.328 -4.801 6.899 1.00 0.00 C ATOM 1324 CD2 TYR A 84 -5.801 -4.001 5.147 1.00 0.00 C ATOM 1325 CE1 TYR A 84 -4.422 -6.100 6.383 1.00 0.00 C ATOM 1326 CE2 TYR A 84 -5.894 -5.300 4.632 1.00 0.00 C ATOM 1327 CZ TYR A 84 -5.205 -6.348 5.250 1.00 0.00 C ATOM 1328 OH TYR A 84 -5.296 -7.628 4.743 1.00 0.00 O ATOM 0 H TYR A 84 -6.911 -1.552 8.117 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.748 -3.392 8.708 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.740 -1.741 6.449 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.994 -1.881 6.493 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.723 -4.609 7.773 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.333 -3.192 4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.890 -6.910 6.860 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.498 -5.492 3.758 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.205 -7.969 4.877 1.00 0.00 H new ATOM 1338 N GLU A 85 -4.329 -0.273 9.386 1.00 0.00 N ATOM 1339 CA GLU A 85 -3.351 0.705 9.941 1.00 0.00 C ATOM 1340 C GLU A 85 -2.691 0.102 11.182 1.00 0.00 C ATOM 1341 O GLU A 85 -1.643 0.539 11.616 1.00 0.00 O ATOM 1342 CB GLU A 85 -4.080 1.995 10.323 1.00 0.00 C ATOM 1343 CG GLU A 85 -3.647 3.122 9.383 1.00 0.00 C ATOM 1344 CD GLU A 85 -3.967 4.474 10.023 1.00 0.00 C ATOM 1345 OE1 GLU A 85 -5.135 4.737 10.254 1.00 0.00 O ATOM 1346 OE2 GLU A 85 -3.037 5.223 10.272 1.00 0.00 O ATOM 0 H GLU A 85 -5.304 0.026 9.409 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.590 0.930 9.194 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.158 1.848 10.260 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.854 2.261 11.356 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.579 3.049 9.178 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.162 3.030 8.427 1.00 0.00 H new ATOM 1353 N LYS A 86 -3.295 -0.904 11.752 1.00 0.00 N ATOM 1354 CA LYS A 86 -2.704 -1.544 12.960 1.00 0.00 C ATOM 1355 C LYS A 86 -2.371 -3.002 12.640 1.00 0.00 C ATOM 1356 O LYS A 86 -1.554 -3.622 13.290 1.00 0.00 O ATOM 1357 CB LYS A 86 -3.710 -1.491 14.111 1.00 0.00 C ATOM 1358 CG LYS A 86 -3.030 -0.925 15.359 1.00 0.00 C ATOM 1359 CD LYS A 86 -3.502 -1.698 16.592 1.00 0.00 C ATOM 1360 CE LYS A 86 -2.721 -1.227 17.821 1.00 0.00 C ATOM 1361 NZ LYS A 86 -2.694 0.263 17.852 1.00 0.00 N ATOM 0 H LYS A 86 -4.174 -1.311 11.432 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.797 -1.014 13.250 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.562 -0.870 13.835 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.097 -2.489 14.316 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.947 -1.000 15.262 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.267 0.133 15.467 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.570 -1.542 16.745 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.354 -2.768 16.442 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.185 -1.612 18.729 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.704 -1.619 17.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.495 0.587 18.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.952 0.610 17.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.616 0.633 17.546 1.00 0.00 H new ATOM 1375 N HIS A 87 -2.999 -3.553 11.636 1.00 0.00 N ATOM 1376 CA HIS A 87 -2.723 -4.968 11.266 1.00 0.00 C ATOM 1377 C HIS A 87 -1.686 -5.006 10.141 1.00 0.00 C ATOM 1378 O HIS A 87 -1.399 -3.997 9.527 1.00 0.00 O ATOM 1379 CB HIS A 87 -4.018 -5.630 10.789 1.00 0.00 C ATOM 1380 CG HIS A 87 -4.733 -6.242 11.962 1.00 0.00 C ATOM 1381 ND1 HIS A 87 -4.406 -5.928 13.272 1.00 0.00 N ATOM 1382 CD2 HIS A 87 -5.759 -7.150 12.037 1.00 0.00 C ATOM 1383 CE1 HIS A 87 -5.223 -6.637 14.073 1.00 0.00 C ATOM 1384 NE2 HIS A 87 -6.068 -7.398 13.372 1.00 0.00 N ATOM 0 H HIS A 87 -3.693 -3.081 11.056 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.338 -5.504 12.133 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.658 -4.893 10.304 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.795 -6.396 10.046 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.252 -7.603 11.190 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.198 -6.596 15.152 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.785 -8.025 13.736 1.00 0.00 H new ATOM 1392 N PRO A 88 -1.156 -6.175 9.911 1.00 0.00 N ATOM 1393 CA PRO A 88 -0.130 -6.453 8.873 1.00 0.00 C ATOM 1394 C PRO A 88 -0.787 -6.575 7.495 1.00 0.00 C ATOM 1395 O PRO A 88 -1.778 -7.258 7.329 1.00 0.00 O ATOM 1396 CB PRO A 88 0.510 -7.779 9.275 1.00 0.00 C ATOM 1397 CG PRO A 88 -0.515 -8.498 10.158 1.00 0.00 C ATOM 1398 CD PRO A 88 -1.494 -7.423 10.653 1.00 0.00 C ATOM 0 HA PRO A 88 0.607 -5.652 8.808 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.753 -8.376 8.396 1.00 0.00 H new ATOM 0 HB3 PRO A 88 1.442 -7.613 9.816 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.039 -9.270 9.594 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -0.025 -8.993 10.997 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.526 -7.720 10.464 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.397 -7.274 11.728 1.00 0.00 H new ATOM 1406 N LEU A 89 -0.237 -5.926 6.505 1.00 0.00 N ATOM 1407 CA LEU A 89 -0.825 -6.014 5.139 1.00 0.00 C ATOM 1408 C LEU A 89 -0.290 -7.270 4.454 1.00 0.00 C ATOM 1409 O LEU A 89 -0.990 -8.250 4.297 1.00 0.00 O ATOM 1410 CB LEU A 89 -0.425 -4.779 4.329 1.00 0.00 C ATOM 1411 CG LEU A 89 -1.655 -4.211 3.620 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -2.224 -5.262 2.666 1.00 0.00 C ATOM 1413 CD2 LEU A 89 -2.714 -3.839 4.660 1.00 0.00 C ATOM 0 H LEU A 89 0.594 -5.339 6.583 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.912 -6.061 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.009 -4.025 4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.339 -5.043 3.598 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.372 -3.323 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.101 -4.858 2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.469 -5.529 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.508 -6.150 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.592 -3.434 4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.997 -4.727 5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.308 -3.091 5.341 1.00 0.00 H new ATOM 1425 N TYR A 90 0.953 -7.257 4.058 1.00 0.00 N ATOM 1426 CA TYR A 90 1.532 -8.462 3.403 1.00 0.00 C ATOM 1427 C TYR A 90 1.998 -9.431 4.495 1.00 0.00 C ATOM 1428 O TYR A 90 1.913 -9.135 5.670 1.00 0.00 O ATOM 1429 CB TYR A 90 2.716 -8.050 2.519 1.00 0.00 C ATOM 1430 CG TYR A 90 3.103 -9.209 1.629 1.00 0.00 C ATOM 1431 CD1 TYR A 90 2.110 -9.945 0.981 1.00 0.00 C ATOM 1432 CD2 TYR A 90 4.450 -9.555 1.463 1.00 0.00 C ATOM 1433 CE1 TYR A 90 2.456 -11.027 0.165 1.00 0.00 C ATOM 1434 CE2 TYR A 90 4.799 -10.639 0.648 1.00 0.00 C ATOM 1435 CZ TYR A 90 3.802 -11.376 -0.001 1.00 0.00 C ATOM 1436 OH TYR A 90 4.144 -12.443 -0.805 1.00 0.00 O ATOM 0 H TYR A 90 1.590 -6.467 4.159 1.00 0.00 H new ATOM 0 HA TYR A 90 0.784 -8.947 2.776 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.448 -7.185 1.913 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.562 -7.755 3.139 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.071 -9.678 1.110 1.00 0.00 H new ATOM 0 HD2 TYR A 90 5.219 -8.986 1.963 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.685 -11.593 -0.337 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.838 -10.906 0.520 1.00 0.00 H new ATOM 0 HH TYR A 90 5.118 -12.548 -0.812 1.00 0.00 H new ATOM 1446 N ARG A 91 2.477 -10.587 4.126 1.00 0.00 N ATOM 1447 CA ARG A 91 2.931 -11.566 5.156 1.00 0.00 C ATOM 1448 C ARG A 91 4.221 -11.076 5.829 1.00 0.00 C ATOM 1449 O ARG A 91 4.760 -11.735 6.695 1.00 0.00 O ATOM 1450 CB ARG A 91 3.191 -12.918 4.490 1.00 0.00 C ATOM 1451 CG ARG A 91 1.897 -13.434 3.858 1.00 0.00 C ATOM 1452 CD ARG A 91 1.410 -14.666 4.622 1.00 0.00 C ATOM 1453 NE ARG A 91 1.443 -15.853 3.722 1.00 0.00 N ATOM 1454 CZ ARG A 91 1.347 -17.055 4.222 1.00 0.00 C ATOM 1455 NH1 ARG A 91 2.405 -17.649 4.702 1.00 0.00 N ATOM 1456 NH2 ARG A 91 0.193 -17.664 4.241 1.00 0.00 N ATOM 0 H ARG A 91 2.574 -10.896 3.159 1.00 0.00 H new ATOM 0 HA ARG A 91 2.154 -11.667 5.913 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.965 -12.817 3.729 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.559 -13.633 5.226 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.134 -12.656 3.879 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.067 -13.686 2.811 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.041 -14.839 5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.397 -14.503 4.989 1.00 0.00 H new ATOM 0 HE ARG A 91 1.541 -15.726 2.715 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.308 -17.174 4.687 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.329 -18.588 5.093 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.634 -17.201 3.865 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.118 -18.603 4.632 1.00 0.00 H new ATOM 1470 N LYS A 92 4.727 -9.932 5.444 1.00 0.00 N ATOM 1471 CA LYS A 92 5.980 -9.432 6.076 1.00 0.00 C ATOM 1472 C LYS A 92 6.080 -7.915 5.897 1.00 0.00 C ATOM 1473 O LYS A 92 7.111 -7.393 5.523 1.00 0.00 O ATOM 1474 CB LYS A 92 7.186 -10.104 5.419 1.00 0.00 C ATOM 1475 CG LYS A 92 7.222 -9.746 3.932 1.00 0.00 C ATOM 1476 CD LYS A 92 8.587 -9.147 3.584 1.00 0.00 C ATOM 1477 CE LYS A 92 9.232 -9.962 2.463 1.00 0.00 C ATOM 1478 NZ LYS A 92 10.350 -10.774 3.020 1.00 0.00 N ATOM 0 H LYS A 92 4.329 -9.328 4.725 1.00 0.00 H new ATOM 0 HA LYS A 92 5.966 -9.669 7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.106 -9.779 5.905 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.125 -11.185 5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.039 -10.635 3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.430 -9.034 3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.471 -8.109 3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.230 -9.146 4.464 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.491 -10.613 2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.604 -9.297 1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.789 -11.329 2.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.060 -10.143 3.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.982 -11.418 3.749 1.00 0.00 H new ATOM 1492 N MET A 93 5.021 -7.201 6.166 1.00 0.00 N ATOM 1493 CA MET A 93 5.064 -5.720 6.014 1.00 0.00 C ATOM 1494 C MET A 93 3.736 -5.118 6.484 1.00 0.00 C ATOM 1495 O MET A 93 2.738 -5.803 6.586 1.00 0.00 O ATOM 1496 CB MET A 93 5.300 -5.362 4.546 1.00 0.00 C ATOM 1497 CG MET A 93 6.291 -4.199 4.460 1.00 0.00 C ATOM 1498 SD MET A 93 7.977 -4.825 4.668 1.00 0.00 S ATOM 1499 CE MET A 93 8.106 -4.543 6.452 1.00 0.00 C ATOM 0 H MET A 93 4.129 -7.579 6.484 1.00 0.00 H new ATOM 0 HA MET A 93 5.877 -5.317 6.618 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.689 -6.226 4.007 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.358 -5.088 4.071 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.195 -3.696 3.498 1.00 0.00 H new ATOM 0 HG3 MET A 93 6.069 -3.460 5.230 1.00 0.00 H new ATOM 0 HE1 MET A 93 9.022 -3.992 6.668 1.00 0.00 H new ATOM 0 HE2 MET A 93 7.246 -3.965 6.792 1.00 0.00 H new ATOM 0 HE3 MET A 93 8.128 -5.501 6.971 1.00 0.00 H new ATOM 1509 N LYS A 94 3.713 -3.842 6.773 1.00 0.00 N ATOM 1510 CA LYS A 94 2.444 -3.210 7.236 1.00 0.00 C ATOM 1511 C LYS A 94 2.473 -1.719 6.905 1.00 0.00 C ATOM 1512 O LYS A 94 3.407 -1.224 6.304 1.00 0.00 O ATOM 1513 CB LYS A 94 2.278 -3.381 8.753 1.00 0.00 C ATOM 1514 CG LYS A 94 3.531 -4.010 9.366 1.00 0.00 C ATOM 1515 CD LYS A 94 3.449 -5.533 9.253 1.00 0.00 C ATOM 1516 CE LYS A 94 3.515 -6.152 10.650 1.00 0.00 C ATOM 1517 NZ LYS A 94 4.939 -6.303 11.060 1.00 0.00 N ATOM 0 H LYS A 94 4.514 -3.214 6.708 1.00 0.00 H new ATOM 0 HA LYS A 94 1.608 -3.694 6.730 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.088 -2.412 9.215 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.411 -4.008 8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.421 -3.645 8.854 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.622 -3.717 10.412 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.522 -5.822 8.759 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.268 -5.907 8.639 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.985 -5.522 11.364 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.020 -7.123 10.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.984 -6.724 12.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.431 -6.921 10.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.397 -5.370 11.073 1.00 0.00 H new ATOM 1531 N LEU A 95 1.465 -0.996 7.304 1.00 0.00 N ATOM 1532 CA LEU A 95 1.442 0.466 7.023 1.00 0.00 C ATOM 1533 C LEU A 95 2.102 1.205 8.187 1.00 0.00 C ATOM 1534 O LEU A 95 1.724 2.306 8.534 1.00 0.00 O ATOM 1535 CB LEU A 95 -0.004 0.938 6.867 1.00 0.00 C ATOM 1536 CG LEU A 95 -0.572 0.412 5.548 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -0.585 -1.117 5.571 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -2.001 0.931 5.367 1.00 0.00 C ATOM 0 H LEU A 95 0.656 -1.354 7.812 1.00 0.00 H new ATOM 0 HA LEU A 95 1.984 0.672 6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.606 0.582 7.703 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.046 2.027 6.885 1.00 0.00 H new ATOM 0 HG LEU A 95 0.049 0.757 4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.990 -1.492 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.432 -1.488 5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.206 -1.463 6.397 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.408 0.557 4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.621 0.585 6.194 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.993 2.021 5.351 1.00 0.00 H new ATOM 1550 N ARG A 96 3.088 0.604 8.794 1.00 0.00 N ATOM 1551 CA ARG A 96 3.777 1.263 9.935 1.00 0.00 C ATOM 1552 C ARG A 96 4.931 2.117 9.408 1.00 0.00 C ATOM 1553 O ARG A 96 5.600 2.800 10.156 1.00 0.00 O ATOM 1554 CB ARG A 96 4.322 0.197 10.887 1.00 0.00 C ATOM 1555 CG ARG A 96 3.635 0.327 12.247 1.00 0.00 C ATOM 1556 CD ARG A 96 4.567 1.049 13.221 1.00 0.00 C ATOM 1557 NE ARG A 96 3.771 1.593 14.358 1.00 0.00 N ATOM 1558 CZ ARG A 96 4.373 1.982 15.448 1.00 0.00 C ATOM 1559 NH1 ARG A 96 5.242 1.199 16.027 1.00 0.00 N ATOM 1560 NH2 ARG A 96 4.107 3.153 15.958 1.00 0.00 N ATOM 0 H ARG A 96 3.446 -0.318 8.547 1.00 0.00 H new ATOM 0 HA ARG A 96 3.070 1.898 10.469 1.00 0.00 H new ATOM 0 HB2 ARG A 96 4.149 -0.797 10.474 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.400 0.312 11.000 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.701 0.879 12.143 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.381 -0.660 12.634 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.327 0.361 13.591 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.090 1.857 12.710 1.00 0.00 H new ATOM 0 HE ARG A 96 2.756 1.661 14.284 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.450 0.284 15.627 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.713 1.502 16.879 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.428 3.765 15.504 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.578 3.457 16.810 1.00 0.00 H new ATOM 1574 N TYR A 97 5.172 2.083 8.123 1.00 0.00 N ATOM 1575 CA TYR A 97 6.287 2.896 7.556 1.00 0.00 C ATOM 1576 C TYR A 97 5.735 3.931 6.572 1.00 0.00 C ATOM 1577 O TYR A 97 5.827 3.752 5.378 1.00 0.00 O ATOM 1578 CB TYR A 97 7.266 1.973 6.827 1.00 0.00 C ATOM 1579 CG TYR A 97 7.666 0.839 7.739 1.00 0.00 C ATOM 1580 CD1 TYR A 97 8.510 1.083 8.828 1.00 0.00 C ATOM 1581 CD2 TYR A 97 7.191 -0.455 7.498 1.00 0.00 C ATOM 1582 CE1 TYR A 97 8.882 0.032 9.676 1.00 0.00 C ATOM 1583 CE2 TYR A 97 7.561 -1.506 8.345 1.00 0.00 C ATOM 1584 CZ TYR A 97 8.407 -1.263 9.434 1.00 0.00 C ATOM 1585 OH TYR A 97 8.772 -2.299 10.269 1.00 0.00 O ATOM 0 H TYR A 97 4.647 1.530 7.445 1.00 0.00 H new ATOM 0 HA TYR A 97 6.800 3.414 8.366 1.00 0.00 H new ATOM 0 HB2 TYR A 97 6.805 1.579 5.921 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.148 2.533 6.518 1.00 0.00 H new ATOM 0 HD1 TYR A 97 8.875 2.082 9.015 1.00 0.00 H new ATOM 0 HD2 TYR A 97 6.539 -0.643 6.658 1.00 0.00 H new ATOM 0 HE1 TYR A 97 9.535 0.220 10.516 1.00 0.00 H new ATOM 0 HE2 TYR A 97 7.194 -2.504 8.159 1.00 0.00 H new ATOM 0 HH TYR A 97 8.355 -3.130 9.961 1.00 0.00 H new ATOM 1595 N PRO A 98 5.183 4.989 7.107 1.00 0.00 N ATOM 1596 CA PRO A 98 4.598 6.117 6.338 1.00 0.00 C ATOM 1597 C PRO A 98 5.702 7.090 5.907 1.00 0.00 C ATOM 1598 O PRO A 98 5.696 8.248 6.274 1.00 0.00 O ATOM 1599 CB PRO A 98 3.643 6.813 7.303 1.00 0.00 C ATOM 1600 CG PRO A 98 4.132 6.463 8.713 1.00 0.00 C ATOM 1601 CD PRO A 98 5.038 5.232 8.569 1.00 0.00 C ATOM 0 HA PRO A 98 4.092 5.773 5.436 1.00 0.00 H new ATOM 0 HB2 PRO A 98 3.648 7.892 7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 98 2.619 6.473 7.150 1.00 0.00 H new ATOM 0 HG2 PRO A 98 4.679 7.298 9.152 1.00 0.00 H new ATOM 0 HG3 PRO A 98 3.291 6.250 9.373 1.00 0.00 H new ATOM 0 HD2 PRO A 98 6.009 5.407 9.032 1.00 0.00 H new ATOM 0 HD3 PRO A 98 4.600 4.366 9.066 1.00 0.00 H new ATOM 1609 N ILE A 99 6.652 6.631 5.138 1.00 0.00 N ATOM 1610 CA ILE A 99 7.750 7.535 4.696 1.00 0.00 C ATOM 1611 C ILE A 99 7.722 7.672 3.173 1.00 0.00 C ATOM 1612 O ILE A 99 7.756 6.695 2.451 1.00 0.00 O ATOM 1613 CB ILE A 99 9.097 6.953 5.130 1.00 0.00 C ATOM 1614 CG1 ILE A 99 8.934 6.229 6.469 1.00 0.00 C ATOM 1615 CG2 ILE A 99 10.118 8.082 5.284 1.00 0.00 C ATOM 1616 CD1 ILE A 99 8.220 7.146 7.462 1.00 0.00 C ATOM 0 H ILE A 99 6.715 5.671 4.798 1.00 0.00 H new ATOM 0 HA ILE A 99 7.614 8.516 5.150 1.00 0.00 H new ATOM 0 HB ILE A 99 9.446 6.248 4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.363 5.311 6.331 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.910 5.942 6.860 1.00 0.00 H new ATOM 0 HG21 ILE A 99 11.077 7.666 5.593 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.237 8.598 4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.769 8.788 6.038 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.104 6.630 8.415 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.808 8.052 7.609 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.238 7.411 7.071 1.00 0.00 H new ATOM 1628 N ASN A 100 7.662 8.878 2.679 1.00 0.00 N ATOM 1629 CA ASN A 100 7.636 9.079 1.203 1.00 0.00 C ATOM 1630 C ASN A 100 8.918 9.791 0.762 1.00 0.00 C ATOM 1631 O ASN A 100 9.113 10.071 -0.404 1.00 0.00 O ATOM 1632 CB ASN A 100 6.424 9.932 0.825 1.00 0.00 C ATOM 1633 CG ASN A 100 6.179 10.981 1.910 1.00 0.00 C ATOM 1634 OD1 ASN A 100 7.096 11.649 2.346 1.00 0.00 O ATOM 1635 ND2 ASN A 100 4.970 11.156 2.369 1.00 0.00 N ATOM 0 H ASN A 100 7.630 9.733 3.234 1.00 0.00 H new ATOM 0 HA ASN A 100 7.568 8.111 0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.594 10.419 -0.135 1.00 0.00 H new ATOM 0 HB3 ASN A 100 5.543 9.300 0.710 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.795 11.853 3.093 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.200 10.596 2.004 1.00 0.00 H new ATOM 1642 N GLU A 101 9.793 10.086 1.685 1.00 0.00 N ATOM 1643 CA GLU A 101 11.059 10.777 1.315 1.00 0.00 C ATOM 1644 C GLU A 101 11.871 11.066 2.580 1.00 0.00 C ATOM 1645 O GLU A 101 11.685 10.440 3.604 1.00 0.00 O ATOM 1646 CB GLU A 101 10.734 12.094 0.606 1.00 0.00 C ATOM 1647 CG GLU A 101 11.490 12.159 -0.721 1.00 0.00 C ATOM 1648 CD GLU A 101 12.066 13.564 -0.911 1.00 0.00 C ATOM 1649 OE1 GLU A 101 13.168 13.800 -0.444 1.00 0.00 O ATOM 1650 OE2 GLU A 101 11.395 14.380 -1.522 1.00 0.00 O ATOM 0 H GLU A 101 9.685 9.878 2.678 1.00 0.00 H new ATOM 0 HA GLU A 101 11.639 10.139 0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.661 12.169 0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.013 12.938 1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.292 11.421 -0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.821 11.914 -1.546 1.00 0.00 H new ATOM 1657 N GLU A 102 12.768 12.011 2.517 1.00 0.00 N ATOM 1658 CA GLU A 102 13.589 12.339 3.715 1.00 0.00 C ATOM 1659 C GLU A 102 12.789 13.249 4.650 1.00 0.00 C ATOM 1660 O GLU A 102 12.970 14.450 4.670 1.00 0.00 O ATOM 1661 CB GLU A 102 14.867 13.058 3.277 1.00 0.00 C ATOM 1662 CG GLU A 102 15.946 12.026 2.944 1.00 0.00 C ATOM 1663 CD GLU A 102 17.303 12.528 3.440 1.00 0.00 C ATOM 1664 OE1 GLU A 102 17.526 12.488 4.639 1.00 0.00 O ATOM 1665 OE2 GLU A 102 18.097 12.945 2.613 1.00 0.00 O ATOM 0 H GLU A 102 12.968 12.570 1.687 1.00 0.00 H new ATOM 0 HA GLU A 102 13.850 11.419 4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 102 14.665 13.682 2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 102 15.214 13.720 4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.707 11.071 3.411 1.00 0.00 H new ATOM 0 HG3 GLU A 102 15.981 11.855 1.868 1.00 0.00 H new ATOM 1672 N ASN A 103 11.903 12.686 5.426 1.00 0.00 N ATOM 1673 CA ASN A 103 11.092 13.518 6.359 1.00 0.00 C ATOM 1674 C ASN A 103 10.546 12.637 7.485 1.00 0.00 C ATOM 1675 O ASN A 103 10.073 11.542 7.255 1.00 0.00 O ATOM 1676 CB ASN A 103 9.927 14.152 5.596 1.00 0.00 C ATOM 1677 CG ASN A 103 9.035 14.921 6.571 1.00 0.00 C ATOM 1678 OD1 ASN A 103 7.888 14.570 6.772 1.00 0.00 O ATOM 1679 ND2 ASN A 103 9.515 15.964 7.193 1.00 0.00 N ATOM 0 H ASN A 103 11.706 11.686 5.454 1.00 0.00 H new ATOM 0 HA ASN A 103 11.718 14.303 6.783 1.00 0.00 H new ATOM 0 HB2 ASN A 103 10.306 14.824 4.826 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.348 13.380 5.089 1.00 0.00 H new ATOM 0 HD21 ASN A 103 8.928 16.483 7.846 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.477 16.260 7.026 1.00 0.00 H new ATOM 1686 N SER A 104 10.608 13.106 8.701 1.00 0.00 N ATOM 1687 CA SER A 104 10.094 12.293 9.839 1.00 0.00 C ATOM 1688 C SER A 104 9.183 13.158 10.713 1.00 0.00 C ATOM 1689 O SER A 104 8.680 14.178 10.285 1.00 0.00 O ATOM 1690 CB SER A 104 11.270 11.786 10.674 1.00 0.00 C ATOM 1691 OG SER A 104 11.640 12.783 11.618 1.00 0.00 O ATOM 0 H SER A 104 10.992 14.016 8.955 1.00 0.00 H new ATOM 0 HA SER A 104 9.529 11.444 9.454 1.00 0.00 H new ATOM 0 HB2 SER A 104 10.995 10.865 11.189 1.00 0.00 H new ATOM 0 HB3 SER A 104 12.115 11.550 10.027 1.00 0.00 H new ATOM 0 HG SER A 104 12.393 12.461 12.156 1.00 0.00 H new ATOM 1697 N SER A 105 8.965 12.758 11.936 1.00 0.00 N ATOM 1698 CA SER A 105 8.087 13.555 12.837 1.00 0.00 C ATOM 1699 C SER A 105 8.947 14.301 13.860 1.00 0.00 C ATOM 1700 O SER A 105 9.208 13.737 14.909 1.00 0.00 O ATOM 1701 CB SER A 105 7.123 12.619 13.569 1.00 0.00 C ATOM 1702 OG SER A 105 7.721 11.335 13.694 1.00 0.00 O ATOM 1703 OXT SER A 105 9.329 15.424 13.575 1.00 0.00 O ATOM 0 H SER A 105 9.358 11.913 12.350 1.00 0.00 H new ATOM 0 HA SER A 105 7.519 14.274 12.247 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.886 13.020 14.554 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.184 12.544 13.021 1.00 0.00 H new ATOM 0 HG SER A 105 7.107 10.733 14.164 1.00 0.00 H new TER 1709 SER A 105 ATOM 1710 N ASP B 1 8.984 -13.645 -7.433 1.00 0.00 N ATOM 1711 CA ASP B 1 8.692 -12.831 -8.646 1.00 0.00 C ATOM 1712 C ASP B 1 8.870 -11.347 -8.319 1.00 0.00 C ATOM 1713 O ASP B 1 9.155 -10.542 -9.184 1.00 0.00 O ATOM 1714 CB ASP B 1 7.252 -13.085 -9.096 1.00 0.00 C ATOM 1715 CG ASP B 1 6.299 -12.831 -7.927 1.00 0.00 C ATOM 1716 OD1 ASP B 1 6.232 -11.699 -7.477 1.00 0.00 O ATOM 1717 OD2 ASP B 1 5.652 -13.773 -7.500 1.00 0.00 O ATOM 0 H1 ASP B 1 8.863 -14.654 -7.655 1.00 0.00 H new ATOM 0 H2 ASP B 1 9.963 -13.473 -7.127 1.00 0.00 H new ATOM 0 H3 ASP B 1 8.330 -13.378 -6.670 1.00 0.00 H new ATOM 0 HA ASP B 1 9.377 -13.112 -9.446 1.00 0.00 H new ATOM 0 HB2 ASP B 1 7.001 -12.432 -9.932 1.00 0.00 H new ATOM 0 HB3 ASP B 1 7.146 -14.111 -9.449 1.00 0.00 H new ATOM 1724 N ASN B 2 8.703 -10.982 -7.076 1.00 0.00 N ATOM 1725 CA ASN B 2 8.861 -9.551 -6.684 1.00 0.00 C ATOM 1726 C ASN B 2 7.830 -8.695 -7.424 1.00 0.00 C ATOM 1727 O ASN B 2 7.229 -9.125 -8.388 1.00 0.00 O ATOM 1728 CB ASN B 2 10.270 -9.070 -7.038 1.00 0.00 C ATOM 1729 CG ASN B 2 10.452 -7.628 -6.559 1.00 0.00 C ATOM 1730 OD1 ASN B 2 10.063 -6.698 -7.235 1.00 0.00 O ATOM 1731 ND2 ASN B 2 11.032 -7.402 -5.411 1.00 0.00 N ATOM 0 H ASN B 2 8.463 -11.615 -6.313 1.00 0.00 H new ATOM 0 HA ASN B 2 8.706 -9.457 -5.609 1.00 0.00 H new ATOM 0 HB2 ASN B 2 11.014 -9.716 -6.572 1.00 0.00 H new ATOM 0 HB3 ASN B 2 10.426 -9.129 -8.115 1.00 0.00 H new ATOM 0 HD21 ASN B 2 11.158 -6.444 -5.083 1.00 0.00 H new ATOM 0 HD22 ASN B 2 11.359 -8.183 -4.842 1.00 0.00 H new ATOM 1738 N ASP B 3 7.621 -7.487 -6.978 1.00 0.00 N ATOM 1739 CA ASP B 3 6.629 -6.602 -7.652 1.00 0.00 C ATOM 1740 C ASP B 3 5.220 -7.168 -7.455 1.00 0.00 C ATOM 1741 O ASP B 3 4.913 -8.253 -7.903 1.00 0.00 O ATOM 1742 CB ASP B 3 6.944 -6.525 -9.147 1.00 0.00 C ATOM 1743 CG ASP B 3 7.189 -5.068 -9.542 1.00 0.00 C ATOM 1744 OD1 ASP B 3 7.714 -4.333 -8.722 1.00 0.00 O ATOM 1745 OD2 ASP B 3 6.849 -4.712 -10.658 1.00 0.00 O ATOM 0 H ASP B 3 8.095 -7.074 -6.175 1.00 0.00 H new ATOM 0 HA ASP B 3 6.682 -5.603 -7.218 1.00 0.00 H new ATOM 0 HB2 ASP B 3 7.823 -7.128 -9.376 1.00 0.00 H new ATOM 0 HB3 ASP B 3 6.116 -6.936 -9.726 1.00 0.00 H new HETATM 1750 N PTR B 4 4.370 -6.432 -6.784 1.00 0.00 N HETATM 1751 CA PTR B 4 2.970 -6.899 -6.540 1.00 0.00 C HETATM 1752 C PTR B 4 2.972 -8.151 -5.660 1.00 0.00 C HETATM 1753 O PTR B 4 3.675 -9.109 -5.912 1.00 0.00 O HETATM 1754 CB PTR B 4 2.271 -7.188 -7.872 1.00 0.00 C HETATM 1755 CG PTR B 4 1.850 -5.879 -8.487 1.00 0.00 C HETATM 1756 CD1 PTR B 4 0.705 -5.223 -8.021 1.00 0.00 C HETATM 1757 CD2 PTR B 4 2.609 -5.316 -9.517 1.00 0.00 C HETATM 1758 CE1 PTR B 4 0.320 -4.001 -8.584 1.00 0.00 C HETATM 1759 CE2 PTR B 4 2.225 -4.096 -10.082 1.00 0.00 C HETATM 1760 CZ PTR B 4 1.081 -3.438 -9.616 1.00 0.00 C HETATM 1761 OH PTR B 4 0.693 -2.181 -10.200 1.00 0.00 O HETATM 1762 P PTR B 4 1.760 -1.324 -11.085 1.00 0.00 P HETATM 1763 O1P PTR B 4 3.069 -1.370 -10.314 1.00 0.00 O HETATM 1764 O2P PTR B 4 1.843 -2.025 -12.431 1.00 0.00 O HETATM 1765 O3P PTR B 4 1.184 0.079 -11.185 1.00 0.00 O HETATM 0 HE2 PTR B 4 2.817 -3.657 -10.885 1.00 0.00 H new HETATM 0 HE1 PTR B 4 -0.570 -3.488 -8.220 1.00 0.00 H new HETATM 0 HD2 PTR B 4 3.500 -5.828 -9.880 1.00 0.00 H new HETATM 0 HD1 PTR B 4 0.113 -5.664 -7.219 1.00 0.00 H new HETATM 0 HB3 PTR B 4 2.943 -7.723 -8.544 1.00 0.00 H new HETATM 0 HB2 PTR B 4 1.403 -7.828 -7.713 1.00 0.00 H new HETATM 0 HA PTR B 4 2.424 -6.111 -6.021 1.00 0.00 H new ATOM 1774 N ILE B 5 2.190 -8.140 -4.617 1.00 0.00 N ATOM 1775 CA ILE B 5 2.139 -9.310 -3.701 1.00 0.00 C ATOM 1776 C ILE B 5 0.698 -9.535 -3.239 1.00 0.00 C ATOM 1777 O ILE B 5 -0.161 -8.700 -3.428 1.00 0.00 O ATOM 1778 CB ILE B 5 3.024 -9.022 -2.489 1.00 0.00 C ATOM 1779 CG1 ILE B 5 2.869 -7.561 -2.056 1.00 0.00 C ATOM 1780 CG2 ILE B 5 4.483 -9.269 -2.859 1.00 0.00 C ATOM 1781 CD1 ILE B 5 1.396 -7.244 -1.811 1.00 0.00 C ATOM 0 H ILE B 5 1.580 -7.364 -4.359 1.00 0.00 H new ATOM 0 HA ILE B 5 2.493 -10.202 -4.217 1.00 0.00 H new ATOM 0 HB ILE B 5 2.724 -9.677 -1.671 1.00 0.00 H new ATOM 0 HG12 ILE B 5 3.445 -7.379 -1.149 1.00 0.00 H new ATOM 0 HG13 ILE B 5 3.269 -6.900 -2.825 1.00 0.00 H new ATOM 0 HG21 ILE B 5 5.117 -9.064 -1.996 1.00 0.00 H new ATOM 0 HG22 ILE B 5 4.610 -10.308 -3.164 1.00 0.00 H new ATOM 0 HG23 ILE B 5 4.766 -8.612 -3.681 1.00 0.00 H new ATOM 0 HD11 ILE B 5 1.294 -6.203 -1.503 1.00 0.00 H new ATOM 0 HD12 ILE B 5 0.831 -7.408 -2.729 1.00 0.00 H new ATOM 0 HD13 ILE B 5 1.010 -7.894 -1.026 1.00 0.00 H new ATOM 1793 N ILE B 6 0.432 -10.644 -2.609 1.00 0.00 N ATOM 1794 CA ILE B 6 -0.946 -10.896 -2.102 1.00 0.00 C ATOM 1795 C ILE B 6 -0.992 -10.391 -0.661 1.00 0.00 C ATOM 1796 O ILE B 6 -0.352 -10.955 0.199 1.00 0.00 O ATOM 1797 CB ILE B 6 -1.243 -12.397 -2.133 1.00 0.00 C ATOM 1798 CG1 ILE B 6 -1.519 -12.831 -3.576 1.00 0.00 C ATOM 1799 CG2 ILE B 6 -2.469 -12.691 -1.267 1.00 0.00 C ATOM 1800 CD1 ILE B 6 -1.076 -14.282 -3.767 1.00 0.00 C ATOM 0 H ILE B 6 1.107 -11.386 -2.423 1.00 0.00 H new ATOM 0 HA ILE B 6 -1.687 -10.387 -2.718 1.00 0.00 H new ATOM 0 HB ILE B 6 -0.385 -12.947 -1.746 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -2.581 -12.732 -3.800 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -0.985 -12.182 -4.270 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -2.682 -13.760 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -2.273 -12.380 -0.241 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.328 -12.142 -1.654 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.273 -14.590 -4.794 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -0.009 -14.367 -3.561 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.630 -14.925 -3.083 1.00 0.00 H new ATOM 1812 N PRO B 7 -1.718 -9.324 -0.444 1.00 0.00 N ATOM 1813 CA PRO B 7 -1.843 -8.658 0.879 1.00 0.00 C ATOM 1814 C PRO B 7 -2.659 -9.508 1.855 1.00 0.00 C ATOM 1815 O PRO B 7 -3.826 -9.267 2.084 1.00 0.00 O ATOM 1816 CB PRO B 7 -2.522 -7.319 0.610 1.00 0.00 C ATOM 1817 CG PRO B 7 -3.261 -7.480 -0.718 1.00 0.00 C ATOM 1818 CD PRO B 7 -2.554 -8.621 -1.461 1.00 0.00 C ATOM 0 HA PRO B 7 -0.868 -8.521 1.346 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -3.214 -7.064 1.413 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -1.789 -6.514 0.553 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -4.313 -7.715 -0.553 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -3.227 -6.557 -1.297 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -3.278 -9.302 -1.908 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -1.937 -8.234 -2.272 1.00 0.00 H new ATOM 1826 N LEU B 8 -2.034 -10.492 2.442 1.00 0.00 N ATOM 1827 CA LEU B 8 -2.740 -11.362 3.424 1.00 0.00 C ATOM 1828 C LEU B 8 -1.904 -11.421 4.705 1.00 0.00 C ATOM 1829 O LEU B 8 -0.709 -11.209 4.671 1.00 0.00 O ATOM 1830 CB LEU B 8 -2.894 -12.772 2.845 1.00 0.00 C ATOM 1831 CG LEU B 8 -4.283 -12.931 2.219 1.00 0.00 C ATOM 1832 CD1 LEU B 8 -5.351 -12.882 3.314 1.00 0.00 C ATOM 1833 CD2 LEU B 8 -4.529 -11.802 1.217 1.00 0.00 C ATOM 0 H LEU B 8 -1.056 -10.732 2.281 1.00 0.00 H new ATOM 0 HA LEU B 8 -3.729 -10.959 3.639 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -2.125 -12.952 2.094 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -2.753 -13.514 3.631 1.00 0.00 H new ATOM 0 HG LEU B 8 -4.336 -13.890 1.704 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -6.338 -12.995 2.865 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -5.181 -13.691 4.025 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -5.296 -11.925 3.833 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -5.518 -11.918 0.774 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -4.472 -10.842 1.730 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.773 -11.840 0.433 1.00 0.00 H new ATOM 1845 N PRO B 9 -2.558 -11.703 5.798 1.00 0.00 N ATOM 1846 CA PRO B 9 -1.940 -11.803 7.145 1.00 0.00 C ATOM 1847 C PRO B 9 -1.240 -13.155 7.306 1.00 0.00 C ATOM 1848 O PRO B 9 -1.843 -14.199 7.159 1.00 0.00 O ATOM 1849 CB PRO B 9 -3.095 -11.676 8.135 1.00 0.00 C ATOM 1850 CG PRO B 9 -4.359 -12.085 7.370 1.00 0.00 C ATOM 1851 CD PRO B 9 -4.021 -11.969 5.876 1.00 0.00 C ATOM 0 HA PRO B 9 -1.187 -11.032 7.306 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -2.938 -12.319 9.001 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -3.178 -10.655 8.507 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -4.653 -13.104 7.623 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -5.196 -11.437 7.630 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -4.278 -12.887 5.347 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -4.588 -11.163 5.410 1.00 0.00 H new ATOM 1859 N ASP B 10 0.029 -13.140 7.610 1.00 0.00 N ATOM 1860 CA ASP B 10 0.769 -14.421 7.782 1.00 0.00 C ATOM 1861 C ASP B 10 0.127 -15.234 8.908 1.00 0.00 C ATOM 1862 O ASP B 10 -0.386 -14.680 9.861 1.00 0.00 O ATOM 1863 CB ASP B 10 2.228 -14.125 8.138 1.00 0.00 C ATOM 1864 CG ASP B 10 2.283 -12.993 9.166 1.00 0.00 C ATOM 1865 OD1 ASP B 10 1.307 -12.816 9.876 1.00 0.00 O ATOM 1866 OD2 ASP B 10 3.301 -12.322 9.224 1.00 0.00 O ATOM 0 H ASP B 10 0.585 -12.296 7.747 1.00 0.00 H new ATOM 0 HA ASP B 10 0.729 -14.990 6.853 1.00 0.00 H new ATOM 0 HB2 ASP B 10 2.704 -15.019 8.540 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.782 -13.844 7.242 1.00 0.00 H new ATOM 1871 N PRO B 11 0.178 -16.531 8.760 1.00 0.00 N ATOM 1872 CA PRO B 11 -0.376 -17.517 9.723 1.00 0.00 C ATOM 1873 C PRO B 11 0.587 -17.699 10.900 1.00 0.00 C ATOM 1874 O PRO B 11 1.788 -17.748 10.727 1.00 0.00 O ATOM 1875 CB PRO B 11 -0.514 -18.821 8.941 1.00 0.00 C ATOM 1876 CG PRO B 11 0.474 -18.722 7.774 1.00 0.00 C ATOM 1877 CD PRO B 11 0.798 -17.231 7.601 1.00 0.00 C ATOM 0 HA PRO B 11 -1.332 -17.193 10.134 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -0.287 -19.680 9.572 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -1.534 -18.952 8.579 1.00 0.00 H new ATOM 0 HG2 PRO B 11 1.378 -19.294 7.982 1.00 0.00 H new ATOM 0 HG3 PRO B 11 0.040 -19.133 6.862 1.00 0.00 H new ATOM 0 HD2 PRO B 11 1.875 -17.067 7.579 1.00 0.00 H new ATOM 0 HD3 PRO B 11 0.399 -16.853 6.660 1.00 0.00 H new ATOM 1885 N LYS B 12 0.071 -17.797 12.094 1.00 0.00 N ATOM 1886 CA LYS B 12 0.960 -17.973 13.276 1.00 0.00 C ATOM 1887 C LYS B 12 1.951 -16.810 13.345 1.00 0.00 C ATOM 1888 O LYS B 12 2.864 -16.882 14.151 1.00 0.00 O ATOM 1889 CB LYS B 12 1.728 -19.291 13.145 1.00 0.00 C ATOM 1890 CG LYS B 12 2.307 -19.683 14.506 1.00 0.00 C ATOM 1891 CD LYS B 12 1.206 -20.298 15.373 1.00 0.00 C ATOM 1892 CE LYS B 12 0.839 -19.330 16.498 1.00 0.00 C ATOM 1893 NZ LYS B 12 1.134 -19.963 17.815 1.00 0.00 N ATOM 1894 OXT LYS B 12 1.781 -15.868 12.589 1.00 0.00 O ATOM 0 H LYS B 12 -0.927 -17.763 12.302 1.00 0.00 H new ATOM 0 HA LYS B 12 0.358 -17.992 14.184 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.065 -20.076 12.781 1.00 0.00 H new ATOM 0 HB3 LYS B 12 2.529 -19.186 12.414 1.00 0.00 H new ATOM 0 HG2 LYS B 12 3.121 -20.395 14.375 1.00 0.00 H new ATOM 0 HG3 LYS B 12 2.727 -18.807 15.000 1.00 0.00 H new ATOM 0 HD2 LYS B 12 0.328 -20.514 14.764 1.00 0.00 H new ATOM 0 HD3 LYS B 12 1.545 -21.246 15.791 1.00 0.00 H new ATOM 0 HE2 LYS B 12 1.403 -18.403 16.393 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -0.217 -19.068 16.437 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 0.884 -19.305 18.580 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 0.577 -20.836 17.913 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 2.147 -20.191 17.871 1.00 0.00 H new TER 1908 LYS B 12