USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 ASN : amide:sc= -9.12! C(o=-14!,f=-24!) USER MOD Set 1.2: A 98 HIS :FLIP no HD1:sc= -4.85! C(o=-16!,f=-14!) USER MOD Set 2.1: A 35 LYS NZ :NH3+ -128:sc= 0.483 (180deg=0) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0.445 USER MOD Set 3.1: A 52 TYR OH : rot -150:sc= -0.987 USER MOD Set 3.2: A 75 MET CE :methyl 172:sc= -1.12 (180deg=-1.24) USER MOD Set 4.1: A 53 SER OG : rot -170:sc= 0.0418 USER MOD Set 4.2: A 93 MET CE :methyl 141:sc= -5.23 (180deg=-6.27!) USER MOD Set 4.3: A 95 GLN :FLIP amide:sc= -4.78! C(o=-14!,f=-10!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00844 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.147 USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.143 F(o=-1.1,f=-0.14) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 169:sc= 0.983 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 30:sc= 0.213 USER MOD Single : A 40 THR OG1 : rot 177:sc= 0.224 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.66 X(o=-0.66,f=-0.76) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 104:sc= -0.339 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0476 X(o=-0.048,f=0) USER MOD Single : A 69 THR OG1 : rot 92:sc= 1.15 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 81 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.013) USER MOD Single : A 83 MET CE :methyl 155:sc= -0.112 (180deg=-0.558) USER MOD Single : A 86 THR OG1 : rot 64:sc= 0.288 USER MOD Single : A 88 TYR OH : rot 30:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 41:sc= 0.0912 USER MOD Single : A 103 SER OG : rot 27:sc= 0.629 USER MOD Single : A 104 SER OG : rot -59:sc= 0.694 USER MOD Single : A 111 THR OG1 : rot -165:sc= 1.88 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.534 27.937 -42.570 1.00 0.00 N ATOM 2 CA GLY A 1 25.785 26.702 -42.430 1.00 0.00 C ATOM 3 C GLY A 1 26.068 25.998 -41.117 1.00 0.00 C ATOM 4 O GLY A 1 27.224 25.837 -40.728 1.00 0.00 O ATOM 0 H1 GLY A 1 26.306 28.380 -43.483 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.281 28.586 -41.798 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.553 27.732 -42.530 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.719 26.917 -42.501 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.031 26.036 -43.257 1.00 0.00 H new ATOM 8 N SER A 2 25.008 25.579 -40.432 1.00 0.00 N ATOM 9 CA SER A 2 25.148 24.893 -39.153 1.00 0.00 C ATOM 10 C SER A 2 23.909 24.057 -38.847 1.00 0.00 C ATOM 11 O SER A 2 22.941 24.061 -39.607 1.00 0.00 O ATOM 12 CB SER A 2 25.384 25.906 -38.031 1.00 0.00 C ATOM 13 OG SER A 2 26.018 25.297 -36.919 1.00 0.00 O ATOM 0 H SER A 2 24.044 25.703 -40.741 1.00 0.00 H new ATOM 0 HA SER A 2 26.008 24.226 -39.218 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.000 26.726 -38.401 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.432 26.337 -37.720 1.00 0.00 H new ATOM 0 HG SER A 2 26.159 25.965 -36.216 1.00 0.00 H new ATOM 19 N SER A 3 23.948 23.341 -37.728 1.00 0.00 N ATOM 20 CA SER A 3 22.831 22.496 -37.322 1.00 0.00 C ATOM 21 C SER A 3 22.063 23.130 -36.166 1.00 0.00 C ATOM 22 O SER A 3 20.833 23.146 -36.159 1.00 0.00 O ATOM 23 CB SER A 3 23.334 21.109 -36.915 1.00 0.00 C ATOM 24 OG SER A 3 24.337 21.203 -35.918 1.00 0.00 O ATOM 0 H SER A 3 24.741 23.329 -37.086 1.00 0.00 H new ATOM 0 HA SER A 3 22.156 22.395 -38.172 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.502 20.512 -36.543 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.732 20.592 -37.788 1.00 0.00 H new ATOM 0 HG SER A 3 24.641 20.304 -35.674 1.00 0.00 H new ATOM 30 N GLY A 4 22.799 23.651 -35.189 1.00 0.00 N ATOM 31 CA GLY A 4 22.171 24.279 -34.041 1.00 0.00 C ATOM 32 C GLY A 4 22.544 25.742 -33.905 1.00 0.00 C ATOM 33 O GLY A 4 23.361 26.255 -34.669 1.00 0.00 O ATOM 0 H GLY A 4 23.819 23.649 -35.172 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.088 24.190 -34.129 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.462 23.747 -33.135 1.00 0.00 H new ATOM 37 N SER A 5 21.942 26.415 -32.929 1.00 0.00 N ATOM 38 CA SER A 5 22.212 27.830 -32.699 1.00 0.00 C ATOM 39 C SER A 5 23.329 28.010 -31.676 1.00 0.00 C ATOM 40 O SER A 5 24.283 28.754 -31.906 1.00 0.00 O ATOM 41 CB SER A 5 20.945 28.540 -32.218 1.00 0.00 C ATOM 42 OG SER A 5 20.078 28.825 -33.302 1.00 0.00 O ATOM 0 H SER A 5 21.265 26.004 -32.286 1.00 0.00 H new ATOM 0 HA SER A 5 22.532 28.272 -33.642 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.428 27.915 -31.490 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.214 29.466 -31.710 1.00 0.00 H new ATOM 0 HG SER A 5 19.275 29.277 -32.969 1.00 0.00 H new ATOM 48 N SER A 6 23.203 27.324 -30.544 1.00 0.00 N ATOM 49 CA SER A 6 24.200 27.411 -29.483 1.00 0.00 C ATOM 50 C SER A 6 25.016 26.125 -29.399 1.00 0.00 C ATOM 51 O SER A 6 26.242 26.160 -29.301 1.00 0.00 O ATOM 52 CB SER A 6 23.522 27.687 -28.140 1.00 0.00 C ATOM 53 OG SER A 6 22.780 26.562 -27.702 1.00 0.00 O ATOM 0 H SER A 6 22.421 26.702 -30.338 1.00 0.00 H new ATOM 0 HA SER A 6 24.875 28.234 -29.717 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.275 27.942 -27.395 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.861 28.549 -28.233 1.00 0.00 H new ATOM 0 HG SER A 6 22.358 26.764 -26.841 1.00 0.00 H new ATOM 59 N GLY A 7 24.326 24.989 -29.438 1.00 0.00 N ATOM 60 CA GLY A 7 25.003 23.707 -29.364 1.00 0.00 C ATOM 61 C GLY A 7 25.569 23.428 -27.986 1.00 0.00 C ATOM 62 O GLY A 7 26.760 23.154 -27.842 1.00 0.00 O ATOM 0 H GLY A 7 23.311 24.934 -29.519 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.304 22.915 -29.633 1.00 0.00 H new ATOM 0 HA3 GLY A 7 25.810 23.683 -30.096 1.00 0.00 H new ATOM 66 N GLU A 8 24.714 23.501 -26.971 1.00 0.00 N ATOM 67 CA GLU A 8 25.138 23.256 -25.597 1.00 0.00 C ATOM 68 C GLU A 8 24.283 22.171 -24.949 1.00 0.00 C ATOM 69 O GLU A 8 23.077 22.091 -25.185 1.00 0.00 O ATOM 70 CB GLU A 8 25.054 24.545 -24.777 1.00 0.00 C ATOM 71 CG GLU A 8 26.275 25.438 -24.920 1.00 0.00 C ATOM 72 CD GLU A 8 27.484 24.895 -24.183 1.00 0.00 C ATOM 73 OE1 GLU A 8 27.311 24.370 -23.063 1.00 0.00 O ATOM 74 OE2 GLU A 8 28.604 24.995 -24.726 1.00 0.00 O ATOM 0 H GLU A 8 23.725 23.727 -27.074 1.00 0.00 H new ATOM 0 HA GLU A 8 26.173 22.914 -25.618 1.00 0.00 H new ATOM 0 HB2 GLU A 8 24.169 25.103 -25.082 1.00 0.00 H new ATOM 0 HB3 GLU A 8 24.923 24.289 -23.726 1.00 0.00 H new ATOM 0 HG2 GLU A 8 26.518 25.549 -25.977 1.00 0.00 H new ATOM 0 HG3 GLU A 8 26.040 26.433 -24.541 1.00 0.00 H new ATOM 81 N HIS A 9 24.916 21.338 -24.130 1.00 0.00 N ATOM 82 CA HIS A 9 24.214 20.257 -23.447 1.00 0.00 C ATOM 83 C HIS A 9 23.545 20.764 -22.173 1.00 0.00 C ATOM 84 O HIS A 9 24.204 21.308 -21.288 1.00 0.00 O ATOM 85 CB HIS A 9 25.183 19.123 -23.111 1.00 0.00 C ATOM 86 CG HIS A 9 26.491 19.597 -22.557 1.00 0.00 C ATOM 87 ND1 HIS A 9 27.617 20.016 -23.181 1.00 0.00 N flip ATOM 88 CD2 HIS A 9 26.751 19.677 -21.205 1.00 0.00 C flip ATOM 89 CE1 HIS A 9 28.527 20.340 -22.204 1.00 0.00 C flip ATOM 90 NE2 HIS A 9 27.980 20.127 -21.021 1.00 0.00 N flip ATOM 0 H HIS A 9 25.913 21.390 -23.923 1.00 0.00 H new ATOM 0 HA HIS A 9 23.442 19.878 -24.117 1.00 0.00 H new ATOM 0 HB2 HIS A 9 24.712 18.456 -22.389 1.00 0.00 H new ATOM 0 HB3 HIS A 9 25.370 18.537 -24.011 1.00 0.00 H new ATOM 0 HD2 HIS A 9 26.059 19.413 -20.419 1.00 0.00 H new ATOM 0 HE1 HIS A 9 29.527 20.709 -22.376 1.00 0.00 H new ATOM 0 HE2 HIS A 9 28.430 20.283 -20.119 1.00 0.00 H new ATOM 99 N ALA A 10 22.231 20.581 -22.088 1.00 0.00 N ATOM 100 CA ALA A 10 21.473 21.019 -20.922 1.00 0.00 C ATOM 101 C ALA A 10 22.087 20.480 -19.634 1.00 0.00 C ATOM 102 O ALA A 10 22.598 19.361 -19.583 1.00 0.00 O ATOM 103 CB ALA A 10 20.021 20.580 -21.041 1.00 0.00 C ATOM 0 H ALA A 10 21.670 20.133 -22.812 1.00 0.00 H new ATOM 0 HA ALA A 10 21.510 22.108 -20.883 1.00 0.00 H new ATOM 0 HB1 ALA A 10 19.467 20.914 -20.164 1.00 0.00 H new ATOM 0 HB2 ALA A 10 19.581 21.018 -21.937 1.00 0.00 H new ATOM 0 HB3 ALA A 10 19.974 19.493 -21.108 1.00 0.00 H new ATOM 109 N PRO A 11 22.037 21.293 -18.568 1.00 0.00 N ATOM 110 CA PRO A 11 22.583 20.918 -17.261 1.00 0.00 C ATOM 111 C PRO A 11 21.769 19.821 -16.585 1.00 0.00 C ATOM 112 O PRO A 11 20.817 19.297 -17.162 1.00 0.00 O ATOM 113 CB PRO A 11 22.500 22.218 -16.456 1.00 0.00 C ATOM 114 CG PRO A 11 21.398 22.990 -17.096 1.00 0.00 C ATOM 115 CD PRO A 11 21.442 22.640 -18.558 1.00 0.00 C ATOM 0 HA PRO A 11 23.592 20.514 -17.342 1.00 0.00 H new ATOM 0 HB2 PRO A 11 22.287 22.020 -15.406 1.00 0.00 H new ATOM 0 HB3 PRO A 11 23.441 22.767 -16.492 1.00 0.00 H new ATOM 0 HG2 PRO A 11 20.434 22.728 -16.661 1.00 0.00 H new ATOM 0 HG3 PRO A 11 21.534 24.061 -16.947 1.00 0.00 H new ATOM 0 HD2 PRO A 11 20.447 22.643 -19.002 1.00 0.00 H new ATOM 0 HD3 PRO A 11 22.045 23.350 -19.123 1.00 0.00 H new ATOM 123 N ALA A 12 22.150 19.477 -15.359 1.00 0.00 N ATOM 124 CA ALA A 12 21.453 18.444 -14.603 1.00 0.00 C ATOM 125 C ALA A 12 19.979 18.791 -14.428 1.00 0.00 C ATOM 126 O ALA A 12 19.635 19.762 -13.752 1.00 0.00 O ATOM 127 CB ALA A 12 22.115 18.243 -13.248 1.00 0.00 C ATOM 0 H ALA A 12 22.938 19.899 -14.868 1.00 0.00 H new ATOM 0 HA ALA A 12 21.515 17.513 -15.166 1.00 0.00 H new ATOM 0 HB1 ALA A 12 21.584 17.469 -12.695 1.00 0.00 H new ATOM 0 HB2 ALA A 12 23.152 17.940 -13.391 1.00 0.00 H new ATOM 0 HB3 ALA A 12 22.084 19.176 -12.686 1.00 0.00 H new ATOM 133 N THR A 13 19.110 17.994 -15.042 1.00 0.00 N ATOM 134 CA THR A 13 17.673 18.219 -14.955 1.00 0.00 C ATOM 135 C THR A 13 17.052 17.384 -13.840 1.00 0.00 C ATOM 136 O THR A 13 16.192 17.860 -13.099 1.00 0.00 O ATOM 137 CB THR A 13 16.970 17.883 -16.284 1.00 0.00 C ATOM 138 OG1 THR A 13 15.549 17.928 -16.112 1.00 0.00 O ATOM 139 CG2 THR A 13 17.382 16.506 -16.781 1.00 0.00 C ATOM 0 H THR A 13 19.377 17.187 -15.605 1.00 0.00 H new ATOM 0 HA THR A 13 17.532 19.277 -14.735 1.00 0.00 H new ATOM 0 HB THR A 13 17.269 18.624 -17.025 1.00 0.00 H new ATOM 0 HG1 THR A 13 15.110 17.715 -16.962 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.873 16.291 -17.720 1.00 0.00 H new ATOM 0 HG22 THR A 13 18.460 16.484 -16.939 1.00 0.00 H new ATOM 0 HG23 THR A 13 17.109 15.755 -16.040 1.00 0.00 H new ATOM 147 N THR A 14 17.494 16.136 -13.726 1.00 0.00 N ATOM 148 CA THR A 14 16.982 15.234 -12.702 1.00 0.00 C ATOM 149 C THR A 14 18.044 14.936 -11.650 1.00 0.00 C ATOM 150 O THR A 14 19.241 14.986 -11.931 1.00 0.00 O ATOM 151 CB THR A 14 16.495 13.907 -13.314 1.00 0.00 C ATOM 152 OG1 THR A 14 15.427 14.155 -14.235 1.00 0.00 O ATOM 153 CG2 THR A 14 16.023 12.951 -12.228 1.00 0.00 C ATOM 0 H THR A 14 18.206 15.726 -14.331 1.00 0.00 H new ATOM 0 HA THR A 14 16.139 15.739 -12.230 1.00 0.00 H new ATOM 0 HB THR A 14 17.331 13.448 -13.842 1.00 0.00 H new ATOM 0 HG1 THR A 14 15.124 13.307 -14.621 1.00 0.00 H new ATOM 0 HG21 THR A 14 15.684 12.021 -12.684 1.00 0.00 H new ATOM 0 HG22 THR A 14 16.846 12.741 -11.545 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.200 13.405 -11.676 1.00 0.00 H new ATOM 161 N GLY A 15 17.599 14.625 -10.436 1.00 0.00 N ATOM 162 CA GLY A 15 18.525 14.323 -9.361 1.00 0.00 C ATOM 163 C GLY A 15 18.065 13.154 -8.511 1.00 0.00 C ATOM 164 O GLY A 15 17.638 12.118 -9.022 1.00 0.00 O ATOM 0 H GLY A 15 16.613 14.577 -10.178 1.00 0.00 H new ATOM 0 HA2 GLY A 15 19.505 14.099 -9.782 1.00 0.00 H new ATOM 0 HA3 GLY A 15 18.643 15.203 -8.729 1.00 0.00 H new ATOM 168 N PRO A 16 18.153 13.314 -7.183 1.00 0.00 N ATOM 169 CA PRO A 16 17.748 12.273 -6.232 1.00 0.00 C ATOM 170 C PRO A 16 16.237 12.067 -6.207 1.00 0.00 C ATOM 171 O PRO A 16 15.480 12.886 -6.729 1.00 0.00 O ATOM 172 CB PRO A 16 18.237 12.813 -4.886 1.00 0.00 C ATOM 173 CG PRO A 16 18.285 14.291 -5.065 1.00 0.00 C ATOM 174 CD PRO A 16 18.652 14.522 -6.505 1.00 0.00 C ATOM 0 HA PRO A 16 18.163 11.299 -6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 16 17.560 12.534 -4.078 1.00 0.00 H new ATOM 0 HB3 PRO A 16 19.219 12.413 -4.632 1.00 0.00 H new ATOM 0 HG2 PRO A 16 17.322 14.744 -4.830 1.00 0.00 H new ATOM 0 HG3 PRO A 16 19.020 14.741 -4.398 1.00 0.00 H new ATOM 0 HD2 PRO A 16 18.186 15.425 -6.899 1.00 0.00 H new ATOM 0 HD3 PRO A 16 19.728 14.638 -6.632 1.00 0.00 H new ATOM 182 N LEU A 17 15.805 10.969 -5.597 1.00 0.00 N ATOM 183 CA LEU A 17 14.384 10.655 -5.503 1.00 0.00 C ATOM 184 C LEU A 17 13.972 10.421 -4.053 1.00 0.00 C ATOM 185 O LEU A 17 14.786 10.063 -3.201 1.00 0.00 O ATOM 186 CB LEU A 17 14.057 9.419 -6.343 1.00 0.00 C ATOM 187 CG LEU A 17 13.972 9.639 -7.854 1.00 0.00 C ATOM 188 CD1 LEU A 17 13.888 8.306 -8.583 1.00 0.00 C ATOM 189 CD2 LEU A 17 12.776 10.514 -8.199 1.00 0.00 C ATOM 0 H LEU A 17 16.419 10.281 -5.160 1.00 0.00 H new ATOM 0 HA LEU A 17 13.824 11.507 -5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.815 8.661 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.105 9.013 -6.001 1.00 0.00 H new ATOM 0 HG LEU A 17 14.877 10.152 -8.179 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.828 8.482 -9.657 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.776 7.713 -8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.000 7.767 -8.254 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.731 10.660 -9.278 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.861 10.029 -7.860 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.878 11.481 -7.706 1.00 0.00 H new ATOM 201 N PRO A 18 12.679 10.627 -3.764 1.00 0.00 N ATOM 202 CA PRO A 18 12.129 10.442 -2.417 1.00 0.00 C ATOM 203 C PRO A 18 12.090 8.975 -2.004 1.00 0.00 C ATOM 204 O PRO A 18 12.572 8.103 -2.727 1.00 0.00 O ATOM 205 CB PRO A 18 10.710 11.003 -2.533 1.00 0.00 C ATOM 206 CG PRO A 18 10.365 10.867 -3.976 1.00 0.00 C ATOM 207 CD PRO A 18 11.653 11.056 -4.729 1.00 0.00 C ATOM 0 HA PRO A 18 12.736 10.935 -1.658 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.013 10.448 -1.905 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.669 12.044 -2.213 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.932 9.888 -4.183 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.627 11.612 -4.273 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.679 10.454 -5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.794 12.094 -5.030 1.00 0.00 H new ATOM 215 N SER A 19 11.511 8.708 -0.837 1.00 0.00 N ATOM 216 CA SER A 19 11.411 7.346 -0.327 1.00 0.00 C ATOM 217 C SER A 19 9.968 7.005 0.032 1.00 0.00 C ATOM 218 O SER A 19 9.258 7.812 0.629 1.00 0.00 O ATOM 219 CB SER A 19 12.308 7.172 0.900 1.00 0.00 C ATOM 220 OG SER A 19 12.372 5.813 1.297 1.00 0.00 O ATOM 0 H SER A 19 11.104 9.417 -0.227 1.00 0.00 H new ATOM 0 HA SER A 19 11.743 6.665 -1.111 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.311 7.536 0.676 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.926 7.777 1.722 1.00 0.00 H new ATOM 0 HG SER A 19 12.953 5.728 2.082 1.00 0.00 H new ATOM 226 N ALA A 20 9.543 5.801 -0.338 1.00 0.00 N ATOM 227 CA ALA A 20 8.186 5.350 -0.055 1.00 0.00 C ATOM 228 C ALA A 20 7.734 5.805 1.329 1.00 0.00 C ATOM 229 O ALA A 20 8.545 6.095 2.209 1.00 0.00 O ATOM 230 CB ALA A 20 8.098 3.836 -0.170 1.00 0.00 C ATOM 0 H ALA A 20 10.119 5.121 -0.834 1.00 0.00 H new ATOM 0 HA ALA A 20 7.519 5.798 -0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.079 3.513 0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.370 3.531 -1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.781 3.377 0.544 1.00 0.00 H new ATOM 236 N PRO A 21 6.409 5.871 1.528 1.00 0.00 N ATOM 237 CA PRO A 21 5.820 6.290 2.803 1.00 0.00 C ATOM 238 C PRO A 21 6.033 5.259 3.906 1.00 0.00 C ATOM 239 O PRO A 21 6.468 4.137 3.645 1.00 0.00 O ATOM 240 CB PRO A 21 4.330 6.424 2.478 1.00 0.00 C ATOM 241 CG PRO A 21 4.110 5.511 1.322 1.00 0.00 C ATOM 242 CD PRO A 21 5.384 5.540 0.523 1.00 0.00 C ATOM 0 HA PRO A 21 6.273 7.207 3.179 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.712 6.140 3.330 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.071 7.452 2.225 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.885 4.500 1.661 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.264 5.841 0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.582 4.579 0.048 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.344 6.286 -0.271 1.00 0.00 H new ATOM 250 N ARG A 22 5.725 5.647 5.140 1.00 0.00 N ATOM 251 CA ARG A 22 5.884 4.757 6.283 1.00 0.00 C ATOM 252 C ARG A 22 4.534 4.444 6.920 1.00 0.00 C ATOM 253 O ARG A 22 3.524 5.071 6.599 1.00 0.00 O ATOM 254 CB ARG A 22 6.816 5.386 7.320 1.00 0.00 C ATOM 255 CG ARG A 22 7.991 6.133 6.710 1.00 0.00 C ATOM 256 CD ARG A 22 8.864 5.210 5.874 1.00 0.00 C ATOM 257 NE ARG A 22 9.366 4.079 6.649 1.00 0.00 N ATOM 258 CZ ARG A 22 10.446 3.382 6.316 1.00 0.00 C ATOM 259 NH1 ARG A 22 11.134 3.698 5.228 1.00 0.00 N ATOM 260 NH2 ARG A 22 10.841 2.366 7.073 1.00 0.00 N ATOM 0 H ARG A 22 5.364 6.572 5.373 1.00 0.00 H new ATOM 0 HA ARG A 22 6.323 3.825 5.928 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.243 6.074 7.942 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.196 4.603 7.977 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.622 6.949 6.088 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.589 6.582 7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.290 4.841 5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.705 5.774 5.470 1.00 0.00 H new ATOM 0 HE ARG A 22 8.859 3.810 7.492 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.834 4.479 4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.963 3.161 4.975 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.315 2.120 7.911 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.671 1.831 6.816 1.00 0.00 H new ATOM 274 N ASP A 23 4.524 3.471 7.825 1.00 0.00 N ATOM 275 CA ASP A 23 3.298 3.074 8.508 1.00 0.00 C ATOM 276 C ASP A 23 2.174 2.825 7.506 1.00 0.00 C ATOM 277 O ASP A 23 1.079 3.371 7.638 1.00 0.00 O ATOM 278 CB ASP A 23 2.876 4.151 9.509 1.00 0.00 C ATOM 279 CG ASP A 23 3.964 4.464 10.516 1.00 0.00 C ATOM 280 OD1 ASP A 23 4.947 5.135 10.138 1.00 0.00 O ATOM 281 OD2 ASP A 23 3.834 4.036 11.683 1.00 0.00 O ATOM 0 H ASP A 23 5.351 2.943 8.103 1.00 0.00 H new ATOM 0 HA ASP A 23 3.494 2.146 9.045 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.612 5.061 8.970 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.981 3.822 10.036 1.00 0.00 H new ATOM 286 N VAL A 24 2.454 1.997 6.505 1.00 0.00 N ATOM 287 CA VAL A 24 1.467 1.674 5.481 1.00 0.00 C ATOM 288 C VAL A 24 0.538 0.559 5.945 1.00 0.00 C ATOM 289 O VAL A 24 0.973 -0.568 6.184 1.00 0.00 O ATOM 290 CB VAL A 24 2.143 1.249 4.164 1.00 0.00 C ATOM 291 CG1 VAL A 24 1.102 0.807 3.148 1.00 0.00 C ATOM 292 CG2 VAL A 24 2.991 2.385 3.611 1.00 0.00 C ATOM 0 H VAL A 24 3.356 1.537 6.381 1.00 0.00 H new ATOM 0 HA VAL A 24 0.885 2.579 5.307 1.00 0.00 H new ATOM 0 HB VAL A 24 2.798 0.402 4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.598 0.510 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.541 -0.039 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.419 1.632 2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.462 2.068 2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.358 3.252 3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.761 2.650 4.335 1.00 0.00 H new ATOM 302 N VAL A 25 -0.746 0.879 6.072 1.00 0.00 N ATOM 303 CA VAL A 25 -1.739 -0.096 6.506 1.00 0.00 C ATOM 304 C VAL A 25 -3.088 0.159 5.842 1.00 0.00 C ATOM 305 O VAL A 25 -3.255 1.133 5.109 1.00 0.00 O ATOM 306 CB VAL A 25 -1.919 -0.071 8.035 1.00 0.00 C ATOM 307 CG1 VAL A 25 -0.572 -0.177 8.733 1.00 0.00 C ATOM 308 CG2 VAL A 25 -2.653 1.190 8.464 1.00 0.00 C ATOM 0 H VAL A 25 -1.123 1.807 5.880 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.370 -1.077 6.207 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.521 -0.932 8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.719 -0.158 9.813 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.088 -1.111 8.449 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.058 0.662 8.438 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.772 1.191 9.548 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.079 2.066 8.161 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.635 1.218 7.992 1.00 0.00 H new ATOM 318 N ALA A 26 -4.047 -0.723 6.105 1.00 0.00 N ATOM 319 CA ALA A 26 -5.382 -0.591 5.535 1.00 0.00 C ATOM 320 C ALA A 26 -6.390 -0.158 6.594 1.00 0.00 C ATOM 321 O ALA A 26 -6.811 -0.959 7.429 1.00 0.00 O ATOM 322 CB ALA A 26 -5.814 -1.903 4.897 1.00 0.00 C ATOM 0 H ALA A 26 -3.924 -1.536 6.709 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.348 0.181 4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.813 -1.791 4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.114 -2.171 4.106 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.825 -2.689 5.653 1.00 0.00 H new ATOM 328 N SER A 27 -6.774 1.114 6.554 1.00 0.00 N ATOM 329 CA SER A 27 -7.730 1.654 7.513 1.00 0.00 C ATOM 330 C SER A 27 -9.016 0.833 7.520 1.00 0.00 C ATOM 331 O SER A 27 -9.723 0.774 8.527 1.00 0.00 O ATOM 332 CB SER A 27 -8.046 3.114 7.183 1.00 0.00 C ATOM 333 OG SER A 27 -9.225 3.543 7.842 1.00 0.00 O ATOM 0 H SER A 27 -6.438 1.790 5.868 1.00 0.00 H new ATOM 0 HA SER A 27 -7.281 1.602 8.505 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.209 3.746 7.480 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.166 3.229 6.106 1.00 0.00 H new ATOM 0 HG SER A 27 -9.404 4.480 7.616 1.00 0.00 H new ATOM 339 N LEU A 28 -9.313 0.201 6.390 1.00 0.00 N ATOM 340 CA LEU A 28 -10.513 -0.618 6.264 1.00 0.00 C ATOM 341 C LEU A 28 -10.399 -1.574 5.081 1.00 0.00 C ATOM 342 O LEU A 28 -9.706 -1.289 4.104 1.00 0.00 O ATOM 343 CB LEU A 28 -11.746 0.272 6.098 1.00 0.00 C ATOM 344 CG LEU A 28 -12.958 -0.378 5.429 1.00 0.00 C ATOM 345 CD1 LEU A 28 -14.247 0.255 5.929 1.00 0.00 C ATOM 346 CD2 LEU A 28 -12.857 -0.261 3.915 1.00 0.00 C ATOM 0 H LEU A 28 -8.739 0.240 5.548 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.618 -1.208 7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.047 0.628 7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.461 1.148 5.516 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.971 -1.436 5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.099 -0.220 5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.324 0.120 7.008 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.244 1.320 5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.728 -0.729 3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.819 0.791 3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.952 -0.762 3.571 1.00 0.00 H new ATOM 358 N VAL A 29 -11.086 -2.708 5.175 1.00 0.00 N ATOM 359 CA VAL A 29 -11.064 -3.705 4.112 1.00 0.00 C ATOM 360 C VAL A 29 -12.475 -4.032 3.636 1.00 0.00 C ATOM 361 O VAL A 29 -13.210 -4.764 4.297 1.00 0.00 O ATOM 362 CB VAL A 29 -10.376 -5.004 4.573 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.572 -6.107 3.545 1.00 0.00 C ATOM 364 CG2 VAL A 29 -8.897 -4.760 4.831 1.00 0.00 C ATOM 0 H VAL A 29 -11.665 -2.959 5.977 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.495 -3.275 3.287 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.836 -5.326 5.507 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.079 -7.016 3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.637 -6.299 3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.141 -5.798 2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.426 -5.688 5.156 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.420 -4.413 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.783 -4.004 5.608 1.00 0.00 H new ATOM 374 N SER A 30 -12.846 -3.484 2.483 1.00 0.00 N ATOM 375 CA SER A 30 -14.171 -3.714 1.919 1.00 0.00 C ATOM 376 C SER A 30 -14.169 -4.938 1.008 1.00 0.00 C ATOM 377 O SER A 30 -13.133 -5.318 0.461 1.00 0.00 O ATOM 378 CB SER A 30 -14.637 -2.484 1.138 1.00 0.00 C ATOM 379 OG SER A 30 -15.578 -2.840 0.140 1.00 0.00 O ATOM 0 H SER A 30 -12.248 -2.878 1.921 1.00 0.00 H new ATOM 0 HA SER A 30 -14.862 -3.896 2.742 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.083 -1.762 1.822 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.779 -1.996 0.676 1.00 0.00 H new ATOM 0 HG SER A 30 -15.991 -2.029 -0.224 1.00 0.00 H new ATOM 385 N THR A 31 -15.337 -5.553 0.851 1.00 0.00 N ATOM 386 CA THR A 31 -15.471 -6.735 0.008 1.00 0.00 C ATOM 387 C THR A 31 -15.281 -6.385 -1.463 1.00 0.00 C ATOM 388 O THR A 31 -14.988 -7.254 -2.285 1.00 0.00 O ATOM 389 CB THR A 31 -16.847 -7.402 0.192 1.00 0.00 C ATOM 390 OG1 THR A 31 -17.889 -6.438 0.004 1.00 0.00 O ATOM 391 CG2 THR A 31 -16.967 -8.023 1.576 1.00 0.00 C ATOM 0 H THR A 31 -16.204 -5.252 1.297 1.00 0.00 H new ATOM 0 HA THR A 31 -14.693 -7.433 0.316 1.00 0.00 H new ATOM 0 HB THR A 31 -16.945 -8.192 -0.553 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.760 -6.871 0.121 1.00 0.00 H new ATOM 0 HG21 THR A 31 -17.947 -8.488 1.682 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.191 -8.778 1.705 1.00 0.00 H new ATOM 0 HG23 THR A 31 -16.849 -7.249 2.334 1.00 0.00 H new ATOM 399 N ARG A 32 -15.449 -5.108 -1.790 1.00 0.00 N ATOM 400 CA ARG A 32 -15.296 -4.644 -3.164 1.00 0.00 C ATOM 401 C ARG A 32 -14.169 -3.620 -3.270 1.00 0.00 C ATOM 402 O ARG A 32 -13.830 -3.166 -4.362 1.00 0.00 O ATOM 403 CB ARG A 32 -16.605 -4.031 -3.666 1.00 0.00 C ATOM 404 CG ARG A 32 -17.773 -5.004 -3.665 1.00 0.00 C ATOM 405 CD ARG A 32 -19.067 -4.322 -4.079 1.00 0.00 C ATOM 406 NE ARG A 32 -20.164 -5.274 -4.230 1.00 0.00 N ATOM 407 CZ ARG A 32 -21.446 -4.930 -4.185 1.00 0.00 C ATOM 408 NH1 ARG A 32 -21.791 -3.664 -3.995 1.00 0.00 N ATOM 409 NH2 ARG A 32 -22.387 -5.854 -4.330 1.00 0.00 N ATOM 0 H ARG A 32 -15.691 -4.376 -1.122 1.00 0.00 H new ATOM 0 HA ARG A 32 -15.043 -5.503 -3.785 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.857 -3.173 -3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.456 -3.656 -4.679 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.561 -5.829 -4.346 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -17.889 -5.434 -2.670 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -19.337 -3.574 -3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.913 -3.794 -5.020 1.00 0.00 H new ATOM 0 HE ARG A 32 -19.933 -6.256 -4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -21.071 -2.950 -3.883 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -22.777 -3.404 -3.961 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -22.126 -6.829 -4.476 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -23.371 -5.589 -4.295 1.00 0.00 H new ATOM 423 N PHE A 33 -13.593 -3.262 -2.127 1.00 0.00 N ATOM 424 CA PHE A 33 -12.506 -2.291 -2.091 1.00 0.00 C ATOM 425 C PHE A 33 -11.724 -2.399 -0.785 1.00 0.00 C ATOM 426 O PHE A 33 -12.042 -3.220 0.075 1.00 0.00 O ATOM 427 CB PHE A 33 -13.055 -0.872 -2.254 1.00 0.00 C ATOM 428 CG PHE A 33 -13.523 -0.259 -0.965 1.00 0.00 C ATOM 429 CD1 PHE A 33 -12.635 0.403 -0.134 1.00 0.00 C ATOM 430 CD2 PHE A 33 -14.853 -0.345 -0.585 1.00 0.00 C ATOM 431 CE1 PHE A 33 -13.063 0.969 1.052 1.00 0.00 C ATOM 432 CE2 PHE A 33 -15.287 0.219 0.600 1.00 0.00 C ATOM 433 CZ PHE A 33 -14.390 0.876 1.420 1.00 0.00 C ATOM 0 H PHE A 33 -13.861 -3.630 -1.214 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.830 -2.509 -2.918 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.281 -0.239 -2.688 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.885 -0.891 -2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.595 0.478 -0.416 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -15.558 -0.858 -1.222 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.360 1.484 1.690 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.326 0.146 0.885 1.00 0.00 H new ATOM 0 HZ PHE A 33 -14.726 1.316 2.347 1.00 0.00 H new ATOM 443 N ILE A 34 -10.699 -1.564 -0.646 1.00 0.00 N ATOM 444 CA ILE A 34 -9.872 -1.565 0.554 1.00 0.00 C ATOM 445 C ILE A 34 -9.316 -0.174 0.840 1.00 0.00 C ATOM 446 O ILE A 34 -8.688 0.445 -0.019 1.00 0.00 O ATOM 447 CB ILE A 34 -8.700 -2.558 0.430 1.00 0.00 C ATOM 448 CG1 ILE A 34 -9.225 -3.965 0.134 1.00 0.00 C ATOM 449 CG2 ILE A 34 -7.866 -2.554 1.702 1.00 0.00 C ATOM 450 CD1 ILE A 34 -8.140 -4.945 -0.252 1.00 0.00 C ATOM 0 H ILE A 34 -10.422 -0.879 -1.349 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.514 -1.874 1.379 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.064 -2.246 -0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.748 -4.342 1.013 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.957 -3.909 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.042 -3.260 1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.467 -1.554 1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.490 -2.845 2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.584 -5.921 -0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.632 -4.591 -1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.420 -5.030 0.562 1.00 0.00 H new ATOM 462 N LYS A 35 -9.550 0.312 2.054 1.00 0.00 N ATOM 463 CA LYS A 35 -9.071 1.629 2.457 1.00 0.00 C ATOM 464 C LYS A 35 -7.624 1.560 2.932 1.00 0.00 C ATOM 465 O LYS A 35 -7.286 0.768 3.814 1.00 0.00 O ATOM 466 CB LYS A 35 -9.957 2.199 3.567 1.00 0.00 C ATOM 467 CG LYS A 35 -9.636 3.641 3.921 1.00 0.00 C ATOM 468 CD LYS A 35 -10.354 4.614 3.001 1.00 0.00 C ATOM 469 CE LYS A 35 -9.809 6.027 3.149 1.00 0.00 C ATOM 470 NZ LYS A 35 -10.093 6.860 1.948 1.00 0.00 N ATOM 0 H LYS A 35 -10.069 -0.187 2.777 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.119 2.286 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.000 2.133 3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.850 1.582 4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.924 3.836 4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.560 3.802 3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.244 4.287 1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.421 4.609 3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.250 6.496 4.029 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.733 5.985 3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.211 7.297 1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.490 6.261 1.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.776 7.604 2.195 1.00 0.00 H new ATOM 484 N LEU A 36 -6.772 2.393 2.345 1.00 0.00 N ATOM 485 CA LEU A 36 -5.360 2.428 2.710 1.00 0.00 C ATOM 486 C LEU A 36 -5.032 3.693 3.496 1.00 0.00 C ATOM 487 O LEU A 36 -5.695 4.720 3.348 1.00 0.00 O ATOM 488 CB LEU A 36 -4.487 2.352 1.456 1.00 0.00 C ATOM 489 CG LEU A 36 -4.091 0.947 0.998 1.00 0.00 C ATOM 490 CD1 LEU A 36 -3.245 0.259 2.058 1.00 0.00 C ATOM 491 CD2 LEU A 36 -5.329 0.121 0.682 1.00 0.00 C ATOM 0 H LEU A 36 -7.034 3.054 1.614 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.152 1.565 3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.016 2.843 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.577 2.924 1.636 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.496 1.036 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.973 -0.739 1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.341 0.841 2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.814 0.181 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.029 -0.875 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.950 0.040 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.896 0.605 -0.113 1.00 0.00 H new ATOM 503 N THR A 37 -4.001 3.613 4.332 1.00 0.00 N ATOM 504 CA THR A 37 -3.583 4.751 5.141 1.00 0.00 C ATOM 505 C THR A 37 -2.113 4.641 5.527 1.00 0.00 C ATOM 506 O THR A 37 -1.684 3.635 6.093 1.00 0.00 O ATOM 507 CB THR A 37 -4.431 4.872 6.421 1.00 0.00 C ATOM 508 OG1 THR A 37 -4.360 3.655 7.172 1.00 0.00 O ATOM 509 CG2 THR A 37 -5.881 5.182 6.082 1.00 0.00 C ATOM 0 H THR A 37 -3.440 2.772 4.466 1.00 0.00 H new ATOM 0 HA THR A 37 -3.730 5.643 4.532 1.00 0.00 H new ATOM 0 HB THR A 37 -4.032 5.691 7.019 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.495 3.223 7.013 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.460 5.263 7.002 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.934 6.124 5.536 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.290 4.382 5.465 1.00 0.00 H new ATOM 517 N TRP A 38 -1.345 5.680 5.220 1.00 0.00 N ATOM 518 CA TRP A 38 0.078 5.699 5.536 1.00 0.00 C ATOM 519 C TRP A 38 0.512 7.082 6.010 1.00 0.00 C ATOM 520 O TRP A 38 -0.226 8.056 5.868 1.00 0.00 O ATOM 521 CB TRP A 38 0.899 5.285 4.314 1.00 0.00 C ATOM 522 CG TRP A 38 0.676 6.166 3.122 1.00 0.00 C ATOM 523 CD1 TRP A 38 1.323 7.334 2.834 1.00 0.00 C ATOM 524 CD2 TRP A 38 -0.259 5.951 2.060 1.00 0.00 C ATOM 525 NE1 TRP A 38 0.845 7.858 1.657 1.00 0.00 N ATOM 526 CE2 TRP A 38 -0.125 7.028 1.162 1.00 0.00 C ATOM 527 CE3 TRP A 38 -1.196 4.952 1.779 1.00 0.00 C ATOM 528 CZ2 TRP A 38 -0.893 7.133 0.005 1.00 0.00 C ATOM 529 CZ3 TRP A 38 -1.957 5.058 0.631 1.00 0.00 C ATOM 530 CH2 TRP A 38 -1.802 6.141 -0.245 1.00 0.00 C ATOM 0 H TRP A 38 -1.684 6.521 4.752 1.00 0.00 H new ATOM 0 HA TRP A 38 0.255 4.987 6.342 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.957 5.299 4.574 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.650 4.257 4.049 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.096 7.780 3.442 1.00 0.00 H new ATOM 0 HE1 TRP A 38 1.162 8.725 1.222 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.322 4.113 2.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.775 7.967 -0.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.684 4.293 0.404 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.412 6.194 -1.135 1.00 0.00 H new ATOM 541 N ARG A 39 1.713 7.159 6.574 1.00 0.00 N ATOM 542 CA ARG A 39 2.244 8.423 7.070 1.00 0.00 C ATOM 543 C ARG A 39 3.236 9.023 6.078 1.00 0.00 C ATOM 544 O ARG A 39 3.506 8.444 5.025 1.00 0.00 O ATOM 545 CB ARG A 39 2.922 8.219 8.426 1.00 0.00 C ATOM 546 CG ARG A 39 1.947 8.150 9.590 1.00 0.00 C ATOM 547 CD ARG A 39 0.737 7.293 9.253 1.00 0.00 C ATOM 548 NE ARG A 39 -0.160 7.139 10.395 1.00 0.00 N ATOM 549 CZ ARG A 39 -1.390 6.647 10.303 1.00 0.00 C ATOM 550 NH1 ARG A 39 -1.868 6.264 9.126 1.00 0.00 N ATOM 551 NH2 ARG A 39 -2.146 6.537 11.388 1.00 0.00 N ATOM 0 H ARG A 39 2.336 6.361 6.699 1.00 0.00 H new ATOM 0 HA ARG A 39 1.411 9.116 7.189 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.505 7.299 8.396 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.623 9.035 8.598 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.452 7.741 10.465 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.620 9.156 9.852 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.193 7.744 8.423 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.070 6.310 8.919 1.00 0.00 H new ATOM 0 HE ARG A 39 0.177 7.425 11.314 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.290 6.347 8.289 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.813 5.886 9.058 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.783 6.831 12.295 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.091 6.159 11.315 1.00 0.00 H new ATOM 565 N THR A 40 3.777 10.188 6.421 1.00 0.00 N ATOM 566 CA THR A 40 4.738 10.867 5.560 1.00 0.00 C ATOM 567 C THR A 40 6.073 10.133 5.540 1.00 0.00 C ATOM 568 O THR A 40 6.536 9.608 6.554 1.00 0.00 O ATOM 569 CB THR A 40 4.971 12.320 6.016 1.00 0.00 C ATOM 570 OG1 THR A 40 5.064 12.377 7.444 1.00 0.00 O ATOM 571 CG2 THR A 40 3.843 13.224 5.540 1.00 0.00 C ATOM 0 H THR A 40 3.566 10.681 7.289 1.00 0.00 H new ATOM 0 HA THR A 40 4.314 10.872 4.556 1.00 0.00 H new ATOM 0 HB THR A 40 5.906 12.669 5.577 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.260 13.296 7.723 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.029 14.245 5.874 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.794 13.202 4.451 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.897 12.874 5.953 1.00 0.00 H new ATOM 579 N PRO A 41 6.710 10.093 4.361 1.00 0.00 N ATOM 580 CA PRO A 41 8.003 9.426 4.181 1.00 0.00 C ATOM 581 C PRO A 41 9.139 10.165 4.880 1.00 0.00 C ATOM 582 O PRO A 41 9.085 11.382 5.056 1.00 0.00 O ATOM 583 CB PRO A 41 8.205 9.447 2.664 1.00 0.00 C ATOM 584 CG PRO A 41 7.403 10.609 2.191 1.00 0.00 C ATOM 585 CD PRO A 41 6.217 10.696 3.111 1.00 0.00 C ATOM 0 HA PRO A 41 8.008 8.425 4.612 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.258 9.562 2.406 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.864 8.518 2.206 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.990 11.527 2.223 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.086 10.469 1.158 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.899 11.728 3.261 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.360 10.153 2.714 1.00 0.00 H new ATOM 593 N ALA A 42 10.167 9.422 5.277 1.00 0.00 N ATOM 594 CA ALA A 42 11.317 10.008 5.954 1.00 0.00 C ATOM 595 C ALA A 42 11.896 11.167 5.150 1.00 0.00 C ATOM 596 O ALA A 42 12.267 12.199 5.709 1.00 0.00 O ATOM 597 CB ALA A 42 12.381 8.949 6.199 1.00 0.00 C ATOM 0 H ALA A 42 10.227 8.413 5.141 1.00 0.00 H new ATOM 0 HA ALA A 42 10.981 10.399 6.915 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.234 9.401 6.705 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.968 8.155 6.822 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.704 8.531 5.246 1.00 0.00 H new ATOM 603 N SER A 43 11.972 10.989 3.835 1.00 0.00 N ATOM 604 CA SER A 43 12.510 12.018 2.954 1.00 0.00 C ATOM 605 C SER A 43 11.645 13.275 2.994 1.00 0.00 C ATOM 606 O SER A 43 12.158 14.394 3.010 1.00 0.00 O ATOM 607 CB SER A 43 12.603 11.495 1.520 1.00 0.00 C ATOM 608 OG SER A 43 13.470 10.376 1.440 1.00 0.00 O ATOM 0 H SER A 43 11.668 10.141 3.356 1.00 0.00 H new ATOM 0 HA SER A 43 13.510 12.274 3.305 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.610 11.216 1.166 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.964 12.287 0.864 1.00 0.00 H new ATOM 0 HG SER A 43 13.511 10.059 0.513 1.00 0.00 H new ATOM 614 N ASP A 44 10.331 13.080 3.010 1.00 0.00 N ATOM 615 CA ASP A 44 9.394 14.196 3.049 1.00 0.00 C ATOM 616 C ASP A 44 8.433 14.057 4.226 1.00 0.00 C ATOM 617 O ASP A 44 7.468 13.294 4.184 1.00 0.00 O ATOM 618 CB ASP A 44 8.608 14.275 1.739 1.00 0.00 C ATOM 619 CG ASP A 44 9.378 14.985 0.643 1.00 0.00 C ATOM 620 OD1 ASP A 44 9.257 16.223 0.539 1.00 0.00 O ATOM 621 OD2 ASP A 44 10.103 14.302 -0.111 1.00 0.00 O ATOM 0 H ASP A 44 9.891 12.160 2.997 1.00 0.00 H new ATOM 0 HA ASP A 44 9.966 15.115 3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.357 13.267 1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.667 14.797 1.914 1.00 0.00 H new ATOM 626 N PRO A 45 8.701 14.812 5.301 1.00 0.00 N ATOM 627 CA PRO A 45 7.872 14.791 6.510 1.00 0.00 C ATOM 628 C PRO A 45 6.503 15.424 6.286 1.00 0.00 C ATOM 629 O PRO A 45 5.622 15.341 7.142 1.00 0.00 O ATOM 630 CB PRO A 45 8.685 15.615 7.512 1.00 0.00 C ATOM 631 CG PRO A 45 9.519 16.518 6.671 1.00 0.00 C ATOM 632 CD PRO A 45 9.834 15.746 5.420 1.00 0.00 C ATOM 0 HA PRO A 45 7.663 13.774 6.843 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.035 16.183 8.178 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.304 14.975 8.141 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.984 17.438 6.437 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.432 16.804 7.193 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.908 16.401 4.552 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.784 15.217 5.502 1.00 0.00 H new ATOM 640 N HIS A 46 6.331 16.056 5.129 1.00 0.00 N ATOM 641 CA HIS A 46 5.068 16.703 4.792 1.00 0.00 C ATOM 642 C HIS A 46 4.411 16.021 3.596 1.00 0.00 C ATOM 643 O HIS A 46 3.191 16.056 3.441 1.00 0.00 O ATOM 644 CB HIS A 46 5.294 18.184 4.489 1.00 0.00 C ATOM 645 CG HIS A 46 5.547 19.014 5.710 1.00 0.00 C ATOM 646 ND1 HIS A 46 4.542 19.645 6.412 1.00 0.00 N ATOM 647 CD2 HIS A 46 6.699 19.313 6.353 1.00 0.00 C ATOM 648 CE1 HIS A 46 5.065 20.297 7.434 1.00 0.00 C ATOM 649 NE2 HIS A 46 6.373 20.112 7.422 1.00 0.00 N ATOM 0 H HIS A 46 7.050 16.134 4.410 1.00 0.00 H new ATOM 0 HA HIS A 46 4.402 16.614 5.650 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.142 18.282 3.811 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.421 18.577 3.967 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.690 18.985 6.077 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.517 20.882 8.157 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.033 20.499 8.096 1.00 0.00 H new ATOM 658 N GLY A 47 5.229 15.400 2.751 1.00 0.00 N ATOM 659 CA GLY A 47 4.709 14.720 1.579 1.00 0.00 C ATOM 660 C GLY A 47 3.447 15.367 1.045 1.00 0.00 C ATOM 661 O GLY A 47 2.512 14.678 0.638 1.00 0.00 O ATOM 0 H GLY A 47 6.242 15.356 2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.470 14.716 0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.502 13.679 1.829 1.00 0.00 H new ATOM 665 N ASP A 48 3.418 16.695 1.049 1.00 0.00 N ATOM 666 CA ASP A 48 2.260 17.436 0.562 1.00 0.00 C ATOM 667 C ASP A 48 2.479 17.905 -0.873 1.00 0.00 C ATOM 668 O ASP A 48 1.524 18.154 -1.608 1.00 0.00 O ATOM 669 CB ASP A 48 1.979 18.637 1.467 1.00 0.00 C ATOM 670 CG ASP A 48 0.749 19.411 1.036 1.00 0.00 C ATOM 671 OD1 ASP A 48 -0.368 18.863 1.150 1.00 0.00 O ATOM 672 OD2 ASP A 48 0.903 20.566 0.585 1.00 0.00 O ATOM 0 H ASP A 48 4.183 17.281 1.384 1.00 0.00 H new ATOM 0 HA ASP A 48 1.399 16.768 0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.847 18.292 2.493 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.843 19.302 1.463 1.00 0.00 H new ATOM 677 N ASN A 49 3.744 18.025 -1.265 1.00 0.00 N ATOM 678 CA ASN A 49 4.088 18.466 -2.611 1.00 0.00 C ATOM 679 C ASN A 49 4.441 17.276 -3.499 1.00 0.00 C ATOM 680 O ASN A 49 5.155 17.420 -4.493 1.00 0.00 O ATOM 681 CB ASN A 49 5.261 19.447 -2.565 1.00 0.00 C ATOM 682 CG ASN A 49 6.590 18.751 -2.345 1.00 0.00 C ATOM 683 OD1 ASN A 49 7.225 18.288 -3.292 1.00 0.00 O ATOM 684 ND2 ASN A 49 7.016 18.672 -1.089 1.00 0.00 N ATOM 0 H ASN A 49 4.547 17.823 -0.669 1.00 0.00 H new ATOM 0 HA ASN A 49 3.219 18.969 -3.035 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.298 20.008 -3.499 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.096 20.169 -1.765 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.902 18.213 -0.879 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.457 19.070 -0.335 1.00 0.00 H new ATOM 691 N LEU A 50 3.936 16.103 -3.135 1.00 0.00 N ATOM 692 CA LEU A 50 4.197 14.888 -3.899 1.00 0.00 C ATOM 693 C LEU A 50 3.007 13.936 -3.831 1.00 0.00 C ATOM 694 O LEU A 50 2.484 13.654 -2.752 1.00 0.00 O ATOM 695 CB LEU A 50 5.453 14.190 -3.372 1.00 0.00 C ATOM 696 CG LEU A 50 5.701 14.300 -1.867 1.00 0.00 C ATOM 697 CD1 LEU A 50 5.030 13.151 -1.131 1.00 0.00 C ATOM 698 CD2 LEU A 50 7.193 14.325 -1.573 1.00 0.00 C ATOM 0 H LEU A 50 3.344 15.967 -2.316 1.00 0.00 H new ATOM 0 HA LEU A 50 4.355 15.170 -4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.394 13.134 -3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.318 14.600 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 50 5.266 15.235 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.217 13.245 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.956 13.179 -1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.435 12.204 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.351 14.404 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.652 13.407 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.647 15.182 -2.070 1.00 0.00 H new ATOM 710 N THR A 51 2.585 13.441 -4.990 1.00 0.00 N ATOM 711 CA THR A 51 1.458 12.520 -5.062 1.00 0.00 C ATOM 712 C THR A 51 1.865 11.116 -4.628 1.00 0.00 C ATOM 713 O THR A 51 3.050 10.783 -4.605 1.00 0.00 O ATOM 714 CB THR A 51 0.875 12.455 -6.487 1.00 0.00 C ATOM 715 OG1 THR A 51 1.073 13.707 -7.154 1.00 0.00 O ATOM 716 CG2 THR A 51 -0.609 12.123 -6.451 1.00 0.00 C ATOM 0 H THR A 51 3.007 13.663 -5.892 1.00 0.00 H new ATOM 0 HA THR A 51 0.696 12.901 -4.382 1.00 0.00 H new ATOM 0 HB THR A 51 1.394 11.666 -7.032 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.702 13.658 -8.060 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.998 12.083 -7.469 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.754 11.156 -5.969 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.140 12.892 -5.890 1.00 0.00 H new ATOM 724 N TYR A 52 0.877 10.298 -4.287 1.00 0.00 N ATOM 725 CA TYR A 52 1.134 8.930 -3.852 1.00 0.00 C ATOM 726 C TYR A 52 0.418 7.928 -4.753 1.00 0.00 C ATOM 727 O TYR A 52 -0.794 8.010 -4.951 1.00 0.00 O ATOM 728 CB TYR A 52 0.684 8.740 -2.402 1.00 0.00 C ATOM 729 CG TYR A 52 1.551 9.468 -1.399 1.00 0.00 C ATOM 730 CD1 TYR A 52 2.859 9.064 -1.161 1.00 0.00 C ATOM 731 CD2 TYR A 52 1.062 10.558 -0.690 1.00 0.00 C ATOM 732 CE1 TYR A 52 3.655 9.725 -0.245 1.00 0.00 C ATOM 733 CE2 TYR A 52 1.851 11.226 0.226 1.00 0.00 C ATOM 734 CZ TYR A 52 3.146 10.806 0.446 1.00 0.00 C ATOM 735 OH TYR A 52 3.935 11.467 1.359 1.00 0.00 O ATOM 0 H TYR A 52 -0.109 10.558 -4.303 1.00 0.00 H new ATOM 0 HA TYR A 52 2.207 8.750 -3.919 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.344 9.087 -2.301 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.685 7.676 -2.166 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.260 8.219 -1.701 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.048 10.889 -0.858 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.669 9.398 -0.071 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.456 12.073 0.767 1.00 0.00 H new ATOM 0 HH TYR A 52 3.371 11.844 2.067 1.00 0.00 H new ATOM 745 N SER A 53 1.178 6.983 -5.296 1.00 0.00 N ATOM 746 CA SER A 53 0.618 5.966 -6.179 1.00 0.00 C ATOM 747 C SER A 53 0.476 4.633 -5.452 1.00 0.00 C ATOM 748 O SER A 53 1.372 4.215 -4.717 1.00 0.00 O ATOM 749 CB SER A 53 1.501 5.793 -7.417 1.00 0.00 C ATOM 750 OG SER A 53 1.145 6.717 -8.431 1.00 0.00 O ATOM 0 H SER A 53 2.183 6.900 -5.140 1.00 0.00 H new ATOM 0 HA SER A 53 -0.373 6.297 -6.491 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.547 5.933 -7.144 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.404 4.776 -7.797 1.00 0.00 H new ATOM 0 HG SER A 53 1.610 6.486 -9.262 1.00 0.00 H new ATOM 756 N VAL A 54 -0.656 3.969 -5.661 1.00 0.00 N ATOM 757 CA VAL A 54 -0.917 2.682 -5.026 1.00 0.00 C ATOM 758 C VAL A 54 -1.026 1.570 -6.063 1.00 0.00 C ATOM 759 O VAL A 54 -1.968 1.536 -6.855 1.00 0.00 O ATOM 760 CB VAL A 54 -2.211 2.720 -4.191 1.00 0.00 C ATOM 761 CG1 VAL A 54 -2.476 1.364 -3.556 1.00 0.00 C ATOM 762 CG2 VAL A 54 -2.128 3.808 -3.131 1.00 0.00 C ATOM 0 H VAL A 54 -1.408 4.301 -6.265 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.074 2.478 -4.366 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.045 2.953 -4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.394 1.410 -2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.581 0.611 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.643 1.098 -2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.050 3.821 -2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.285 3.608 -2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.989 4.776 -3.613 1.00 0.00 H new ATOM 772 N PHE A 55 -0.057 0.662 -6.053 1.00 0.00 N ATOM 773 CA PHE A 55 -0.043 -0.453 -6.993 1.00 0.00 C ATOM 774 C PHE A 55 -0.538 -1.733 -6.326 1.00 0.00 C ATOM 775 O PHE A 55 0.085 -2.242 -5.395 1.00 0.00 O ATOM 776 CB PHE A 55 1.368 -0.665 -7.546 1.00 0.00 C ATOM 777 CG PHE A 55 1.971 0.575 -8.142 1.00 0.00 C ATOM 778 CD1 PHE A 55 2.319 1.647 -7.337 1.00 0.00 C ATOM 779 CD2 PHE A 55 2.188 0.668 -9.507 1.00 0.00 C ATOM 780 CE1 PHE A 55 2.875 2.790 -7.882 1.00 0.00 C ATOM 781 CE2 PHE A 55 2.744 1.807 -10.058 1.00 0.00 C ATOM 782 CZ PHE A 55 3.086 2.870 -9.245 1.00 0.00 C ATOM 0 H PHE A 55 0.730 0.676 -5.404 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.715 -0.210 -7.816 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.014 -1.024 -6.744 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.338 -1.446 -8.306 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.154 1.590 -6.271 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.920 -0.159 -10.148 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.144 3.618 -7.243 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.911 1.866 -11.123 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.518 3.762 -9.674 1.00 0.00 H new ATOM 792 N TYR A 56 -1.663 -2.248 -6.810 1.00 0.00 N ATOM 793 CA TYR A 56 -2.244 -3.467 -6.260 1.00 0.00 C ATOM 794 C TYR A 56 -2.183 -4.606 -7.274 1.00 0.00 C ATOM 795 O TYR A 56 -2.391 -4.401 -8.470 1.00 0.00 O ATOM 796 CB TYR A 56 -3.695 -3.221 -5.841 1.00 0.00 C ATOM 797 CG TYR A 56 -4.519 -2.518 -6.895 1.00 0.00 C ATOM 798 CD1 TYR A 56 -4.546 -1.131 -6.974 1.00 0.00 C ATOM 799 CD2 TYR A 56 -5.272 -3.241 -7.812 1.00 0.00 C ATOM 800 CE1 TYR A 56 -5.299 -0.485 -7.936 1.00 0.00 C ATOM 801 CE2 TYR A 56 -6.026 -2.603 -8.778 1.00 0.00 C ATOM 802 CZ TYR A 56 -6.037 -1.225 -8.836 1.00 0.00 C ATOM 803 OH TYR A 56 -6.788 -0.586 -9.795 1.00 0.00 O ATOM 0 H TYR A 56 -2.191 -1.840 -7.582 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.662 -3.753 -5.384 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.163 -4.177 -5.604 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.705 -2.626 -4.928 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.969 -0.548 -6.272 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.268 -4.320 -7.769 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.310 0.594 -7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.604 -3.180 -9.484 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.246 -1.252 -10.349 1.00 0.00 H new ATOM 813 N THR A 57 -1.895 -5.808 -6.786 1.00 0.00 N ATOM 814 CA THR A 57 -1.805 -6.981 -7.646 1.00 0.00 C ATOM 815 C THR A 57 -2.008 -8.265 -6.850 1.00 0.00 C ATOM 816 O THR A 57 -1.377 -8.472 -5.814 1.00 0.00 O ATOM 817 CB THR A 57 -0.444 -7.046 -8.366 1.00 0.00 C ATOM 818 OG1 THR A 57 -0.276 -8.329 -8.980 1.00 0.00 O ATOM 819 CG2 THR A 57 0.696 -6.792 -7.391 1.00 0.00 C ATOM 0 H THR A 57 -1.720 -5.995 -5.799 1.00 0.00 H new ATOM 0 HA THR A 57 -2.597 -6.889 -8.389 1.00 0.00 H new ATOM 0 HB THR A 57 -0.425 -6.271 -9.132 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.416 -8.250 -9.947 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.647 -6.843 -7.922 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.581 -5.803 -6.946 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.678 -7.547 -6.605 1.00 0.00 H new ATOM 827 N LYS A 58 -2.893 -9.126 -7.341 1.00 0.00 N ATOM 828 CA LYS A 58 -3.179 -10.392 -6.676 1.00 0.00 C ATOM 829 C LYS A 58 -1.894 -11.166 -6.403 1.00 0.00 C ATOM 830 O LYS A 58 -1.017 -11.252 -7.262 1.00 0.00 O ATOM 831 CB LYS A 58 -4.125 -11.238 -7.531 1.00 0.00 C ATOM 832 CG LYS A 58 -4.682 -12.450 -6.805 1.00 0.00 C ATOM 833 CD LYS A 58 -5.945 -12.968 -7.472 1.00 0.00 C ATOM 834 CE LYS A 58 -5.626 -13.766 -8.726 1.00 0.00 C ATOM 835 NZ LYS A 58 -6.782 -13.812 -9.664 1.00 0.00 N ATOM 0 H LYS A 58 -3.425 -8.970 -8.197 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.659 -10.172 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.953 -10.614 -7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.595 -11.571 -8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.931 -13.239 -6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.898 -12.187 -5.769 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.497 -13.595 -6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.593 -12.129 -7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.767 -13.323 -9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.343 -14.781 -8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.524 -14.365 -10.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.594 -14.258 -9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.036 -12.845 -9.950 1.00 0.00 H new ATOM 849 N GLU A 59 -1.790 -11.728 -5.203 1.00 0.00 N ATOM 850 CA GLU A 59 -0.611 -12.495 -4.819 1.00 0.00 C ATOM 851 C GLU A 59 -0.141 -13.382 -5.968 1.00 0.00 C ATOM 852 O GLU A 59 -0.921 -14.146 -6.536 1.00 0.00 O ATOM 853 CB GLU A 59 -0.911 -13.352 -3.588 1.00 0.00 C ATOM 854 CG GLU A 59 0.314 -13.655 -2.743 1.00 0.00 C ATOM 855 CD GLU A 59 1.072 -14.875 -3.231 1.00 0.00 C ATOM 856 OE1 GLU A 59 0.998 -15.174 -4.441 1.00 0.00 O ATOM 857 OE2 GLU A 59 1.740 -15.530 -2.403 1.00 0.00 O ATOM 0 H GLU A 59 -2.507 -11.667 -4.481 1.00 0.00 H new ATOM 0 HA GLU A 59 0.185 -11.791 -4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.650 -12.840 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.361 -14.291 -3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.979 -12.791 -2.751 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.008 -13.812 -1.709 1.00 0.00 H new ATOM 864 N GLY A 60 1.141 -13.275 -6.306 1.00 0.00 N ATOM 865 CA GLY A 60 1.693 -14.072 -7.386 1.00 0.00 C ATOM 866 C GLY A 60 1.701 -13.330 -8.708 1.00 0.00 C ATOM 867 O GLY A 60 2.702 -13.337 -9.424 1.00 0.00 O ATOM 0 H GLY A 60 1.807 -12.650 -5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.711 -14.367 -7.132 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.112 -14.989 -7.491 1.00 0.00 H new ATOM 871 N ILE A 61 0.582 -12.691 -9.032 1.00 0.00 N ATOM 872 CA ILE A 61 0.465 -11.943 -10.278 1.00 0.00 C ATOM 873 C ILE A 61 1.626 -10.969 -10.446 1.00 0.00 C ATOM 874 O ILE A 61 2.173 -10.464 -9.466 1.00 0.00 O ATOM 875 CB ILE A 61 -0.860 -11.160 -10.341 1.00 0.00 C ATOM 876 CG1 ILE A 61 -2.046 -12.125 -10.396 1.00 0.00 C ATOM 877 CG2 ILE A 61 -0.869 -10.232 -11.547 1.00 0.00 C ATOM 878 CD1 ILE A 61 -1.950 -13.137 -11.515 1.00 0.00 C ATOM 0 H ILE A 61 -0.256 -12.676 -8.450 1.00 0.00 H new ATOM 0 HA ILE A 61 0.486 -12.673 -11.088 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.951 -10.554 -9.439 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.119 -12.653 -9.445 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.965 -11.552 -10.514 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.811 -9.685 -11.578 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.042 -9.526 -11.469 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.760 -10.819 -12.459 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.824 -13.788 -11.493 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.908 -12.618 -12.472 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.048 -13.736 -11.387 1.00 0.00 H new ATOM 890 N ALA A 62 1.997 -10.709 -11.695 1.00 0.00 N ATOM 891 CA ALA A 62 3.091 -9.792 -11.992 1.00 0.00 C ATOM 892 C ALA A 62 2.563 -8.429 -12.425 1.00 0.00 C ATOM 893 O ALA A 62 3.250 -7.416 -12.292 1.00 0.00 O ATOM 894 CB ALA A 62 3.992 -10.378 -13.069 1.00 0.00 C ATOM 0 H ALA A 62 1.556 -11.120 -12.518 1.00 0.00 H new ATOM 0 HA ALA A 62 3.674 -9.653 -11.081 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.805 -9.683 -13.281 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.405 -11.325 -12.722 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.412 -10.546 -13.977 1.00 0.00 H new ATOM 900 N ARG A 63 1.340 -8.411 -12.944 1.00 0.00 N ATOM 901 CA ARG A 63 0.720 -7.171 -13.398 1.00 0.00 C ATOM 902 C ARG A 63 -0.028 -6.488 -12.257 1.00 0.00 C ATOM 903 O ARG A 63 -0.909 -7.082 -11.637 1.00 0.00 O ATOM 904 CB ARG A 63 -0.239 -7.450 -14.557 1.00 0.00 C ATOM 905 CG ARG A 63 0.451 -7.547 -15.908 1.00 0.00 C ATOM 906 CD ARG A 63 0.959 -8.955 -16.174 1.00 0.00 C ATOM 907 NE ARG A 63 1.712 -9.038 -17.423 1.00 0.00 N ATOM 908 CZ ARG A 63 1.965 -10.179 -18.054 1.00 0.00 C ATOM 909 NH1 ARG A 63 1.527 -11.327 -17.556 1.00 0.00 N ATOM 910 NH2 ARG A 63 2.657 -10.173 -19.186 1.00 0.00 N ATOM 0 H ARG A 63 0.758 -9.241 -13.061 1.00 0.00 H new ATOM 0 HA ARG A 63 1.510 -6.504 -13.742 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.770 -8.382 -14.362 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.988 -6.659 -14.597 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.245 -7.255 -16.695 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.285 -6.846 -15.943 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.593 -9.274 -15.347 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.115 -9.644 -16.213 1.00 0.00 H new ATOM 0 HE ARG A 63 2.063 -8.172 -17.833 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.994 -11.335 -16.686 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.723 -12.202 -18.043 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.995 -9.292 -19.572 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.851 -11.050 -19.670 1.00 0.00 H new ATOM 924 N GLU A 64 0.330 -5.236 -11.988 1.00 0.00 N ATOM 925 CA GLU A 64 -0.307 -4.473 -10.921 1.00 0.00 C ATOM 926 C GLU A 64 -0.840 -3.143 -11.447 1.00 0.00 C ATOM 927 O GLU A 64 -0.225 -2.512 -12.306 1.00 0.00 O ATOM 928 CB GLU A 64 0.682 -4.224 -9.781 1.00 0.00 C ATOM 929 CG GLU A 64 1.744 -3.188 -10.112 1.00 0.00 C ATOM 930 CD GLU A 64 2.636 -3.614 -11.262 1.00 0.00 C ATOM 931 OE1 GLU A 64 2.925 -4.824 -11.373 1.00 0.00 O ATOM 932 OE2 GLU A 64 3.044 -2.737 -12.052 1.00 0.00 O ATOM 0 H GLU A 64 1.057 -4.729 -12.494 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.146 -5.057 -10.543 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.132 -3.899 -8.898 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.171 -5.164 -9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.260 -2.244 -10.363 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.357 -3.007 -9.229 1.00 0.00 H new ATOM 939 N ARG A 65 -1.989 -2.725 -10.925 1.00 0.00 N ATOM 940 CA ARG A 65 -2.606 -1.472 -11.342 1.00 0.00 C ATOM 941 C ARG A 65 -2.335 -0.367 -10.325 1.00 0.00 C ATOM 942 O ARG A 65 -2.429 -0.585 -9.117 1.00 0.00 O ATOM 943 CB ARG A 65 -4.114 -1.657 -11.522 1.00 0.00 C ATOM 944 CG ARG A 65 -4.480 -2.711 -12.553 1.00 0.00 C ATOM 945 CD ARG A 65 -4.491 -2.135 -13.960 1.00 0.00 C ATOM 946 NE ARG A 65 -3.141 -1.953 -14.487 1.00 0.00 N ATOM 947 CZ ARG A 65 -2.878 -1.350 -15.642 1.00 0.00 C ATOM 948 NH1 ARG A 65 -3.867 -0.873 -16.385 1.00 0.00 N ATOM 949 NH2 ARG A 65 -1.624 -1.223 -16.054 1.00 0.00 N ATOM 0 H ARG A 65 -2.511 -3.236 -10.213 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.167 -1.179 -12.296 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.555 -1.930 -10.563 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.556 -0.705 -11.816 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.768 -3.534 -12.502 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.462 -3.124 -12.320 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.051 -2.798 -14.619 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.011 -1.177 -13.956 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.357 -2.308 -13.939 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.833 -0.968 -16.071 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.662 -0.411 -17.271 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.861 -1.588 -15.485 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.423 -0.760 -16.940 1.00 0.00 H new ATOM 963 N VAL A 66 -1.999 0.819 -10.823 1.00 0.00 N ATOM 964 CA VAL A 66 -1.715 1.958 -9.958 1.00 0.00 C ATOM 965 C VAL A 66 -2.954 2.826 -9.768 1.00 0.00 C ATOM 966 O VAL A 66 -3.799 2.922 -10.658 1.00 0.00 O ATOM 967 CB VAL A 66 -0.577 2.825 -10.527 1.00 0.00 C ATOM 968 CG1 VAL A 66 -1.059 3.612 -11.736 1.00 0.00 C ATOM 969 CG2 VAL A 66 -0.031 3.757 -9.457 1.00 0.00 C ATOM 0 H VAL A 66 -1.917 1.016 -11.820 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.406 1.554 -8.994 1.00 0.00 H new ATOM 0 HB VAL A 66 0.230 2.168 -10.850 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.241 4.219 -12.125 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.397 2.921 -12.508 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.884 4.261 -11.442 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.772 4.362 -9.877 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.829 4.409 -9.101 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.355 3.169 -8.625 1.00 0.00 H new ATOM 979 N GLU A 67 -3.055 3.456 -8.602 1.00 0.00 N ATOM 980 CA GLU A 67 -4.192 4.317 -8.296 1.00 0.00 C ATOM 981 C GLU A 67 -3.730 5.621 -7.653 1.00 0.00 C ATOM 982 O GLU A 67 -3.335 5.645 -6.488 1.00 0.00 O ATOM 983 CB GLU A 67 -5.170 3.595 -7.365 1.00 0.00 C ATOM 984 CG GLU A 67 -6.616 4.020 -7.556 1.00 0.00 C ATOM 985 CD GLU A 67 -7.597 2.908 -7.235 1.00 0.00 C ATOM 986 OE1 GLU A 67 -7.281 1.736 -7.529 1.00 0.00 O ATOM 987 OE2 GLU A 67 -8.680 3.210 -6.692 1.00 0.00 O ATOM 0 H GLU A 67 -2.364 3.387 -7.855 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.698 4.553 -9.232 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.091 2.521 -7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.879 3.780 -6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.826 4.880 -6.919 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.763 4.343 -8.587 1.00 0.00 H new ATOM 994 N ASN A 68 -3.782 6.704 -8.422 1.00 0.00 N ATOM 995 CA ASN A 68 -3.367 8.012 -7.929 1.00 0.00 C ATOM 996 C ASN A 68 -4.391 8.573 -6.946 1.00 0.00 C ATOM 997 O ASN A 68 -5.592 8.581 -7.220 1.00 0.00 O ATOM 998 CB ASN A 68 -3.179 8.984 -9.096 1.00 0.00 C ATOM 999 CG ASN A 68 -1.847 8.794 -9.797 1.00 0.00 C ATOM 1000 OD1 ASN A 68 -0.972 9.658 -9.736 1.00 0.00 O ATOM 1001 ND2 ASN A 68 -1.688 7.659 -10.467 1.00 0.00 N ATOM 0 H ASN A 68 -4.107 6.701 -9.389 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.417 7.891 -7.408 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.987 8.846 -9.814 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.250 10.008 -8.728 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.813 7.475 -10.958 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.441 6.971 -10.490 1.00 0.00 H new ATOM 1008 N THR A 69 -3.908 9.042 -5.800 1.00 0.00 N ATOM 1009 CA THR A 69 -4.780 9.604 -4.776 1.00 0.00 C ATOM 1010 C THR A 69 -5.569 10.791 -5.317 1.00 0.00 C ATOM 1011 O THR A 69 -4.999 11.715 -5.897 1.00 0.00 O ATOM 1012 CB THR A 69 -3.978 10.055 -3.541 1.00 0.00 C ATOM 1013 OG1 THR A 69 -3.071 11.102 -3.902 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.204 8.890 -2.943 1.00 0.00 C ATOM 0 H THR A 69 -2.917 9.044 -5.558 1.00 0.00 H new ATOM 0 HA THR A 69 -5.472 8.815 -4.482 1.00 0.00 H new ATOM 0 HB THR A 69 -4.680 10.425 -2.794 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.500 11.971 -3.758 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.645 9.233 -2.072 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.900 8.107 -2.642 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.511 8.494 -3.686 1.00 0.00 H new ATOM 1022 N SER A 70 -6.884 10.759 -5.122 1.00 0.00 N ATOM 1023 CA SER A 70 -7.752 11.832 -5.594 1.00 0.00 C ATOM 1024 C SER A 70 -7.051 13.183 -5.490 1.00 0.00 C ATOM 1025 O SER A 70 -7.209 14.045 -6.356 1.00 0.00 O ATOM 1026 CB SER A 70 -9.052 11.856 -4.787 1.00 0.00 C ATOM 1027 OG SER A 70 -9.847 10.717 -5.068 1.00 0.00 O ATOM 0 H SER A 70 -7.371 10.003 -4.641 1.00 0.00 H new ATOM 0 HA SER A 70 -7.986 11.643 -6.642 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.822 11.889 -3.722 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.612 12.761 -5.021 1.00 0.00 H new ATOM 0 HG SER A 70 -10.671 10.755 -4.539 1.00 0.00 H new ATOM 1033 N HIS A 71 -6.276 13.361 -4.425 1.00 0.00 N ATOM 1034 CA HIS A 71 -5.549 14.607 -4.208 1.00 0.00 C ATOM 1035 C HIS A 71 -4.118 14.329 -3.756 1.00 0.00 C ATOM 1036 O HIS A 71 -3.843 13.365 -3.042 1.00 0.00 O ATOM 1037 CB HIS A 71 -6.268 15.465 -3.167 1.00 0.00 C ATOM 1038 CG HIS A 71 -7.738 15.606 -3.418 1.00 0.00 C ATOM 1039 ND1 HIS A 71 -8.255 16.348 -4.459 1.00 0.00 N ATOM 1040 CD2 HIS A 71 -8.802 15.094 -2.758 1.00 0.00 C ATOM 1041 CE1 HIS A 71 -9.575 16.287 -4.426 1.00 0.00 C ATOM 1042 NE2 HIS A 71 -9.932 15.532 -3.403 1.00 0.00 N ATOM 0 H HIS A 71 -6.135 12.659 -3.699 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.514 15.149 -5.153 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.117 15.027 -2.180 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.814 16.456 -3.149 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.769 14.458 -1.885 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.247 16.772 -5.118 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.891 15.310 -3.136 1.00 0.00 H new ATOM 1051 N PRO A 72 -3.185 15.194 -4.181 1.00 0.00 N ATOM 1052 CA PRO A 72 -1.767 15.063 -3.832 1.00 0.00 C ATOM 1053 C PRO A 72 -1.504 15.351 -2.358 1.00 0.00 C ATOM 1054 O PRO A 72 -1.870 16.409 -1.847 1.00 0.00 O ATOM 1055 CB PRO A 72 -1.087 16.114 -4.713 1.00 0.00 C ATOM 1056 CG PRO A 72 -2.146 17.127 -4.981 1.00 0.00 C ATOM 1057 CD PRO A 72 -3.442 16.366 -5.034 1.00 0.00 C ATOM 0 HA PRO A 72 -1.399 14.050 -3.993 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.231 16.561 -4.207 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.716 15.674 -5.639 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.170 17.884 -4.197 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.960 17.647 -5.921 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.274 16.962 -4.658 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.695 16.073 -6.053 1.00 0.00 H new ATOM 1065 N GLY A 73 -0.865 14.403 -1.679 1.00 0.00 N ATOM 1066 CA GLY A 73 -0.563 14.575 -0.270 1.00 0.00 C ATOM 1067 C GLY A 73 -1.415 13.689 0.618 1.00 0.00 C ATOM 1068 O GLY A 73 -0.943 13.184 1.635 1.00 0.00 O ATOM 0 H GLY A 73 -0.551 13.519 -2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.490 14.352 -0.097 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.718 15.618 0.007 1.00 0.00 H new ATOM 1072 N GLU A 74 -2.673 13.503 0.232 1.00 0.00 N ATOM 1073 CA GLU A 74 -3.593 12.674 1.003 1.00 0.00 C ATOM 1074 C GLU A 74 -2.872 11.464 1.590 1.00 0.00 C ATOM 1075 O GLU A 74 -2.186 10.731 0.878 1.00 0.00 O ATOM 1076 CB GLU A 74 -4.757 12.211 0.124 1.00 0.00 C ATOM 1077 CG GLU A 74 -5.997 11.824 0.911 1.00 0.00 C ATOM 1078 CD GLU A 74 -6.250 12.743 2.091 1.00 0.00 C ATOM 1079 OE1 GLU A 74 -6.682 13.893 1.865 1.00 0.00 O ATOM 1080 OE2 GLU A 74 -6.015 12.313 3.239 1.00 0.00 O ATOM 0 H GLU A 74 -3.078 13.914 -0.609 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.984 13.276 1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.014 13.008 -0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.434 11.357 -0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.863 11.842 0.249 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.891 10.800 1.269 1.00 0.00 H new ATOM 1087 N MET A 75 -3.034 11.261 2.894 1.00 0.00 N ATOM 1088 CA MET A 75 -2.399 10.140 3.577 1.00 0.00 C ATOM 1089 C MET A 75 -3.312 8.917 3.578 1.00 0.00 C ATOM 1090 O MET A 75 -3.108 7.982 4.351 1.00 0.00 O ATOM 1091 CB MET A 75 -2.043 10.526 5.014 1.00 0.00 C ATOM 1092 CG MET A 75 -0.923 11.549 5.109 1.00 0.00 C ATOM 1093 SD MET A 75 0.708 10.786 5.210 1.00 0.00 S ATOM 1094 CE MET A 75 1.180 10.766 3.482 1.00 0.00 C ATOM 0 H MET A 75 -3.599 11.858 3.498 1.00 0.00 H new ATOM 0 HA MET A 75 -1.485 9.889 3.039 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.931 10.925 5.505 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.752 9.629 5.561 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.960 12.204 4.239 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.082 12.175 5.987 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.221 10.455 3.393 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.544 10.066 2.939 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.062 11.765 3.061 1.00 0.00 H new ATOM 1104 N GLN A 76 -4.316 8.934 2.708 1.00 0.00 N ATOM 1105 CA GLN A 76 -5.259 7.826 2.610 1.00 0.00 C ATOM 1106 C GLN A 76 -5.857 7.742 1.209 1.00 0.00 C ATOM 1107 O GLN A 76 -6.021 8.756 0.531 1.00 0.00 O ATOM 1108 CB GLN A 76 -6.375 7.986 3.645 1.00 0.00 C ATOM 1109 CG GLN A 76 -5.900 8.567 4.966 1.00 0.00 C ATOM 1110 CD GLN A 76 -7.046 9.004 5.857 1.00 0.00 C ATOM 1111 OE1 GLN A 76 -7.642 8.192 6.565 1.00 0.00 O ATOM 1112 NE2 GLN A 76 -7.361 10.294 5.826 1.00 0.00 N ATOM 0 H GLN A 76 -4.498 9.702 2.061 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.717 6.902 2.810 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.152 8.630 3.233 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.831 7.013 3.828 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.300 7.824 5.491 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.251 9.420 4.771 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.840 10.932 5.224 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.124 10.647 6.404 1.00 0.00 H new ATOM 1121 N VAL A 77 -6.180 6.526 0.781 1.00 0.00 N ATOM 1122 CA VAL A 77 -6.760 6.309 -0.539 1.00 0.00 C ATOM 1123 C VAL A 77 -7.657 5.076 -0.549 1.00 0.00 C ATOM 1124 O VAL A 77 -7.503 4.175 0.276 1.00 0.00 O ATOM 1125 CB VAL A 77 -5.668 6.145 -1.612 1.00 0.00 C ATOM 1126 CG1 VAL A 77 -4.999 4.784 -1.490 1.00 0.00 C ATOM 1127 CG2 VAL A 77 -6.254 6.338 -3.002 1.00 0.00 C ATOM 0 H VAL A 77 -6.050 5.676 1.329 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.357 7.191 -0.771 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.909 6.911 -1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.230 4.686 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.543 4.690 -0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.744 3.999 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.468 6.219 -3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.034 5.596 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.681 7.338 -3.081 1.00 0.00 H new ATOM 1137 N THR A 78 -8.595 5.041 -1.491 1.00 0.00 N ATOM 1138 CA THR A 78 -9.517 3.919 -1.609 1.00 0.00 C ATOM 1139 C THR A 78 -9.307 3.170 -2.920 1.00 0.00 C ATOM 1140 O THR A 78 -9.200 3.781 -3.984 1.00 0.00 O ATOM 1141 CB THR A 78 -10.983 4.385 -1.527 1.00 0.00 C ATOM 1142 OG1 THR A 78 -11.188 5.149 -0.333 1.00 0.00 O ATOM 1143 CG2 THR A 78 -11.931 3.196 -1.543 1.00 0.00 C ATOM 0 H THR A 78 -8.736 5.777 -2.183 1.00 0.00 H new ATOM 0 HA THR A 78 -9.309 3.250 -0.774 1.00 0.00 H new ATOM 0 HB THR A 78 -11.192 5.008 -2.397 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.122 5.443 -0.289 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.960 3.550 -1.484 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.793 2.633 -2.466 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.720 2.551 -0.690 1.00 0.00 H new ATOM 1151 N ILE A 79 -9.248 1.845 -2.837 1.00 0.00 N ATOM 1152 CA ILE A 79 -9.052 1.014 -4.018 1.00 0.00 C ATOM 1153 C ILE A 79 -10.283 0.159 -4.298 1.00 0.00 C ATOM 1154 O ILE A 79 -10.425 -0.938 -3.757 1.00 0.00 O ATOM 1155 CB ILE A 79 -7.827 0.095 -3.862 1.00 0.00 C ATOM 1156 CG1 ILE A 79 -6.641 0.880 -3.299 1.00 0.00 C ATOM 1157 CG2 ILE A 79 -7.465 -0.536 -5.199 1.00 0.00 C ATOM 1158 CD1 ILE A 79 -6.146 1.972 -4.222 1.00 0.00 C ATOM 0 H ILE A 79 -9.333 1.324 -1.964 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.884 1.690 -4.856 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.076 -0.702 -3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.929 1.324 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.823 0.189 -3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.597 -1.183 -5.073 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.307 -1.125 -5.563 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.232 0.248 -5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.304 2.487 -3.758 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.827 1.533 -5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.950 2.685 -4.407 1.00 0.00 H new ATOM 1170 N GLN A 80 -11.169 0.667 -5.149 1.00 0.00 N ATOM 1171 CA GLN A 80 -12.388 -0.052 -5.502 1.00 0.00 C ATOM 1172 C GLN A 80 -12.147 -0.983 -6.686 1.00 0.00 C ATOM 1173 O GLN A 80 -11.028 -1.091 -7.185 1.00 0.00 O ATOM 1174 CB GLN A 80 -13.509 0.935 -5.833 1.00 0.00 C ATOM 1175 CG GLN A 80 -13.780 1.942 -4.728 1.00 0.00 C ATOM 1176 CD GLN A 80 -14.939 2.864 -5.049 1.00 0.00 C ATOM 1177 OE1 GLN A 80 -16.015 2.413 -5.443 1.00 0.00 O ATOM 1178 NE2 GLN A 80 -14.725 4.164 -4.883 1.00 0.00 N ATOM 0 H GLN A 80 -11.066 1.573 -5.606 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.686 -0.655 -4.644 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -13.251 1.471 -6.746 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.423 0.378 -6.037 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -13.991 1.410 -3.800 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -12.883 2.538 -4.557 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -13.817 4.494 -4.554 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -15.468 4.833 -5.084 1.00 0.00 H new ATOM 1187 N ASN A 81 -13.205 -1.654 -7.129 1.00 0.00 N ATOM 1188 CA ASN A 81 -13.108 -2.577 -8.254 1.00 0.00 C ATOM 1189 C ASN A 81 -12.226 -3.771 -7.904 1.00 0.00 C ATOM 1190 O ASN A 81 -11.373 -4.180 -8.693 1.00 0.00 O ATOM 1191 CB ASN A 81 -12.549 -1.858 -9.484 1.00 0.00 C ATOM 1192 CG ASN A 81 -13.289 -0.569 -9.787 1.00 0.00 C ATOM 1193 OD1 ASN A 81 -14.466 -0.586 -10.146 1.00 0.00 O ATOM 1194 ND2 ASN A 81 -12.600 0.556 -9.642 1.00 0.00 N ATOM 0 H ASN A 81 -14.139 -1.576 -6.726 1.00 0.00 H new ATOM 0 HA ASN A 81 -14.110 -2.942 -8.479 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.493 -1.639 -9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -12.610 -2.520 -10.348 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -13.045 1.454 -9.831 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.626 0.522 -9.342 1.00 0.00 H new ATOM 1201 N LEU A 82 -12.436 -4.326 -6.715 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.660 -5.474 -6.259 1.00 0.00 C ATOM 1203 C LEU A 82 -12.557 -6.690 -6.052 1.00 0.00 C ATOM 1204 O LEU A 82 -13.782 -6.586 -6.105 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.929 -5.137 -4.958 1.00 0.00 C ATOM 1206 CG LEU A 82 -9.936 -3.977 -5.028 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -9.289 -3.746 -3.671 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -8.876 -4.245 -6.087 1.00 0.00 C ATOM 0 H LEU A 82 -13.137 -4.000 -6.050 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.926 -5.714 -7.028 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.673 -4.907 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.395 -6.027 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.480 -3.075 -5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.585 -2.917 -3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.059 -3.509 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.759 -4.647 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.178 -3.409 -6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.336 -5.158 -5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.354 -4.360 -7.060 1.00 0.00 H new ATOM 1220 N MET A 83 -11.939 -7.841 -5.812 1.00 0.00 N ATOM 1221 CA MET A 83 -12.682 -9.077 -5.592 1.00 0.00 C ATOM 1222 C MET A 83 -12.636 -9.485 -4.123 1.00 0.00 C ATOM 1223 O MET A 83 -11.596 -9.419 -3.468 1.00 0.00 O ATOM 1224 CB MET A 83 -12.116 -10.200 -6.464 1.00 0.00 C ATOM 1225 CG MET A 83 -12.852 -11.520 -6.307 1.00 0.00 C ATOM 1226 SD MET A 83 -14.231 -11.687 -7.458 1.00 0.00 S ATOM 1227 CE MET A 83 -13.356 -11.858 -9.012 1.00 0.00 C ATOM 0 H MET A 83 -10.925 -7.944 -5.765 1.00 0.00 H new ATOM 0 HA MET A 83 -13.721 -8.901 -5.869 1.00 0.00 H new ATOM 0 HB2 MET A 83 -12.156 -9.893 -7.509 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.065 -10.347 -6.215 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.153 -12.342 -6.462 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.224 -11.605 -5.286 1.00 0.00 H new ATOM 0 HE1 MET A 83 -13.982 -12.394 -9.725 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.120 -10.870 -9.407 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.432 -12.414 -8.850 1.00 0.00 H new ATOM 1237 N PRO A 84 -13.790 -9.916 -3.592 1.00 0.00 N ATOM 1238 CA PRO A 84 -13.907 -10.343 -2.195 1.00 0.00 C ATOM 1239 C PRO A 84 -13.179 -11.657 -1.927 1.00 0.00 C ATOM 1240 O PRO A 84 -13.020 -12.483 -2.825 1.00 0.00 O ATOM 1241 CB PRO A 84 -15.415 -10.519 -2.002 1.00 0.00 C ATOM 1242 CG PRO A 84 -15.941 -10.798 -3.368 1.00 0.00 C ATOM 1243 CD PRO A 84 -15.069 -10.020 -4.314 1.00 0.00 C ATOM 0 HA PRO A 84 -13.457 -9.624 -1.511 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.634 -11.339 -1.318 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.867 -9.622 -1.579 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.904 -11.864 -3.590 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.983 -10.490 -3.455 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.951 -10.535 -5.268 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.489 -9.038 -4.532 1.00 0.00 H new ATOM 1251 N ALA A 85 -12.740 -11.842 -0.687 1.00 0.00 N ATOM 1252 CA ALA A 85 -12.032 -13.056 -0.301 1.00 0.00 C ATOM 1253 C ALA A 85 -10.855 -13.325 -1.233 1.00 0.00 C ATOM 1254 O ALA A 85 -10.606 -14.466 -1.624 1.00 0.00 O ATOM 1255 CB ALA A 85 -12.983 -14.243 -0.294 1.00 0.00 C ATOM 0 H ALA A 85 -12.862 -11.167 0.068 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.640 -12.913 0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.440 -15.143 -0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.788 -14.060 0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.403 -14.378 -1.291 1.00 0.00 H new ATOM 1261 N THR A 86 -10.132 -12.266 -1.586 1.00 0.00 N ATOM 1262 CA THR A 86 -8.983 -12.387 -2.474 1.00 0.00 C ATOM 1263 C THR A 86 -7.827 -11.514 -1.999 1.00 0.00 C ATOM 1264 O THR A 86 -7.956 -10.293 -1.906 1.00 0.00 O ATOM 1265 CB THR A 86 -9.345 -11.998 -3.919 1.00 0.00 C ATOM 1266 OG1 THR A 86 -10.396 -12.841 -4.405 1.00 0.00 O ATOM 1267 CG2 THR A 86 -8.133 -12.114 -4.831 1.00 0.00 C ATOM 0 H THR A 86 -10.322 -11.315 -1.270 1.00 0.00 H new ATOM 0 HA THR A 86 -8.677 -13.433 -2.454 1.00 0.00 H new ATOM 0 HB THR A 86 -9.682 -10.961 -3.919 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.206 -12.694 -3.873 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.414 -11.834 -5.846 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.345 -11.449 -4.476 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.770 -13.142 -4.825 1.00 0.00 H new ATOM 1275 N VAL A 87 -6.697 -12.147 -1.700 1.00 0.00 N ATOM 1276 CA VAL A 87 -5.517 -11.426 -1.236 1.00 0.00 C ATOM 1277 C VAL A 87 -4.987 -10.488 -2.315 1.00 0.00 C ATOM 1278 O VAL A 87 -5.020 -10.810 -3.503 1.00 0.00 O ATOM 1279 CB VAL A 87 -4.396 -12.396 -0.818 1.00 0.00 C ATOM 1280 CG1 VAL A 87 -3.182 -11.626 -0.321 1.00 0.00 C ATOM 1281 CG2 VAL A 87 -4.897 -13.362 0.245 1.00 0.00 C ATOM 0 H VAL A 87 -6.574 -13.157 -1.771 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.823 -10.841 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.096 -12.976 -1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.400 -12.328 -0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.811 -10.979 -1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.463 -11.019 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.092 -14.040 0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.225 -12.802 1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.733 -13.937 -0.152 1.00 0.00 H new ATOM 1291 N TYR A 88 -4.497 -9.328 -1.893 1.00 0.00 N ATOM 1292 CA TYR A 88 -3.960 -8.341 -2.824 1.00 0.00 C ATOM 1293 C TYR A 88 -2.750 -7.631 -2.226 1.00 0.00 C ATOM 1294 O TYR A 88 -2.800 -7.137 -1.099 1.00 0.00 O ATOM 1295 CB TYR A 88 -5.036 -7.318 -3.191 1.00 0.00 C ATOM 1296 CG TYR A 88 -6.049 -7.835 -4.187 1.00 0.00 C ATOM 1297 CD1 TYR A 88 -5.709 -8.019 -5.522 1.00 0.00 C ATOM 1298 CD2 TYR A 88 -7.346 -8.141 -3.794 1.00 0.00 C ATOM 1299 CE1 TYR A 88 -6.631 -8.491 -6.435 1.00 0.00 C ATOM 1300 CE2 TYR A 88 -8.275 -8.615 -4.700 1.00 0.00 C ATOM 1301 CZ TYR A 88 -7.913 -8.787 -6.020 1.00 0.00 C ATOM 1302 OH TYR A 88 -8.834 -9.259 -6.927 1.00 0.00 O ATOM 0 H TYR A 88 -4.460 -9.047 -0.913 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.642 -8.864 -3.726 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.556 -7.009 -2.284 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.556 -6.430 -3.602 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.706 -7.789 -5.851 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.633 -8.006 -2.762 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.350 -8.628 -7.469 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.278 -8.849 -4.377 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.373 -9.763 -7.630 1.00 0.00 H new ATOM 1312 N ILE A 89 -1.663 -7.584 -2.989 1.00 0.00 N ATOM 1313 CA ILE A 89 -0.440 -6.933 -2.537 1.00 0.00 C ATOM 1314 C ILE A 89 -0.407 -5.469 -2.963 1.00 0.00 C ATOM 1315 O ILE A 89 -0.182 -5.156 -4.133 1.00 0.00 O ATOM 1316 CB ILE A 89 0.811 -7.644 -3.085 1.00 0.00 C ATOM 1317 CG1 ILE A 89 0.632 -9.162 -3.020 1.00 0.00 C ATOM 1318 CG2 ILE A 89 2.046 -7.218 -2.305 1.00 0.00 C ATOM 1319 CD1 ILE A 89 0.440 -9.689 -1.615 1.00 0.00 C ATOM 0 H ILE A 89 -1.605 -7.989 -3.923 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.434 -6.992 -1.449 1.00 0.00 H new ATOM 0 HB ILE A 89 0.946 -7.357 -4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.229 -9.444 -3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.505 -9.642 -3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.922 -7.729 -2.704 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.181 -6.140 -2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.921 -7.479 -1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.320 -10.772 -1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.311 -9.438 -1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.449 -9.237 -1.175 1.00 0.00 H new ATOM 1331 N PHE A 90 -0.631 -4.575 -2.006 1.00 0.00 N ATOM 1332 CA PHE A 90 -0.626 -3.143 -2.281 1.00 0.00 C ATOM 1333 C PHE A 90 0.761 -2.550 -2.051 1.00 0.00 C ATOM 1334 O PHE A 90 1.519 -3.026 -1.205 1.00 0.00 O ATOM 1335 CB PHE A 90 -1.651 -2.429 -1.399 1.00 0.00 C ATOM 1336 CG PHE A 90 -3.074 -2.786 -1.724 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -3.677 -3.887 -1.137 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -3.807 -2.021 -2.616 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -4.986 -4.218 -1.433 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -5.116 -2.347 -2.916 1.00 0.00 C ATOM 1341 CZ PHE A 90 -5.706 -3.447 -2.325 1.00 0.00 C ATOM 0 H PHE A 90 -0.818 -4.817 -1.033 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.895 -2.999 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.453 -2.673 -0.355 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.522 -1.352 -1.505 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.118 -4.494 -0.440 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.351 -1.160 -3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.445 -5.078 -0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.677 -1.742 -3.612 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.728 -3.704 -2.560 1.00 0.00 H new ATOM 1351 N ARG A 91 1.086 -1.508 -2.809 1.00 0.00 N ATOM 1352 CA ARG A 91 2.382 -0.850 -2.690 1.00 0.00 C ATOM 1353 C ARG A 91 2.244 0.659 -2.864 1.00 0.00 C ATOM 1354 O ARG A 91 1.830 1.137 -3.920 1.00 0.00 O ATOM 1355 CB ARG A 91 3.358 -1.407 -3.728 1.00 0.00 C ATOM 1356 CG ARG A 91 3.635 -2.893 -3.568 1.00 0.00 C ATOM 1357 CD ARG A 91 4.083 -3.520 -4.879 1.00 0.00 C ATOM 1358 NE ARG A 91 4.006 -4.978 -4.842 1.00 0.00 N ATOM 1359 CZ ARG A 91 4.973 -5.753 -4.362 1.00 0.00 C ATOM 1360 NH1 ARG A 91 6.083 -5.212 -3.880 1.00 0.00 N ATOM 1361 NH2 ARG A 91 4.829 -7.072 -4.363 1.00 0.00 N ATOM 0 H ARG A 91 0.470 -1.101 -3.512 1.00 0.00 H new ATOM 0 HA ARG A 91 2.772 -1.049 -1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.957 -1.226 -4.725 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.299 -0.861 -3.659 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.405 -3.041 -2.811 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.736 -3.396 -3.211 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.461 -3.145 -5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.107 -3.216 -5.095 1.00 0.00 H new ATOM 0 HE ARG A 91 3.164 -5.426 -5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.197 -4.198 -3.877 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.823 -5.809 -3.512 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.976 -7.492 -4.732 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.572 -7.666 -3.994 1.00 0.00 H new ATOM 1375 N VAL A 92 2.593 1.405 -1.820 1.00 0.00 N ATOM 1376 CA VAL A 92 2.509 2.860 -1.858 1.00 0.00 C ATOM 1377 C VAL A 92 3.849 3.478 -2.240 1.00 0.00 C ATOM 1378 O VAL A 92 4.905 2.995 -1.834 1.00 0.00 O ATOM 1379 CB VAL A 92 2.061 3.431 -0.499 1.00 0.00 C ATOM 1380 CG1 VAL A 92 1.590 4.869 -0.654 1.00 0.00 C ATOM 1381 CG2 VAL A 92 0.967 2.566 0.108 1.00 0.00 C ATOM 0 H VAL A 92 2.936 1.025 -0.938 1.00 0.00 H new ATOM 0 HA VAL A 92 1.766 3.115 -2.614 1.00 0.00 H new ATOM 0 HB VAL A 92 2.915 3.424 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.277 5.256 0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.405 5.479 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.749 4.904 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.663 2.984 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.109 2.539 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.344 1.554 0.256 1.00 0.00 H new ATOM 1391 N MET A 93 3.797 4.550 -3.024 1.00 0.00 N ATOM 1392 CA MET A 93 5.008 5.237 -3.460 1.00 0.00 C ATOM 1393 C MET A 93 4.741 6.722 -3.679 1.00 0.00 C ATOM 1394 O MET A 93 3.706 7.103 -4.225 1.00 0.00 O ATOM 1395 CB MET A 93 5.541 4.606 -4.748 1.00 0.00 C ATOM 1396 CG MET A 93 6.368 5.561 -5.594 1.00 0.00 C ATOM 1397 SD MET A 93 5.372 6.465 -6.795 1.00 0.00 S ATOM 1398 CE MET A 93 4.990 5.165 -7.966 1.00 0.00 C ATOM 0 H MET A 93 2.930 4.962 -3.370 1.00 0.00 H new ATOM 0 HA MET A 93 5.758 5.133 -2.676 1.00 0.00 H new ATOM 0 HB2 MET A 93 6.150 3.739 -4.493 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.701 4.243 -5.340 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.877 6.271 -4.942 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.141 4.999 -6.118 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.962 5.276 -8.310 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.667 5.232 -8.818 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.108 4.195 -7.484 1.00 0.00 H new ATOM 1408 N ALA A 94 5.682 7.557 -3.251 1.00 0.00 N ATOM 1409 CA ALA A 94 5.549 9.001 -3.402 1.00 0.00 C ATOM 1410 C ALA A 94 6.041 9.457 -4.771 1.00 0.00 C ATOM 1411 O ALA A 94 6.822 8.763 -5.422 1.00 0.00 O ATOM 1412 CB ALA A 94 6.311 9.720 -2.299 1.00 0.00 C ATOM 0 H ALA A 94 6.545 7.258 -2.797 1.00 0.00 H new ATOM 0 HA ALA A 94 4.492 9.254 -3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.203 10.797 -2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.911 9.426 -1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.366 9.453 -2.352 1.00 0.00 H new ATOM 1418 N GLN A 95 5.579 10.627 -5.202 1.00 0.00 N ATOM 1419 CA GLN A 95 5.973 11.173 -6.495 1.00 0.00 C ATOM 1420 C GLN A 95 6.079 12.694 -6.434 1.00 0.00 C ATOM 1421 O GLN A 95 5.082 13.388 -6.241 1.00 0.00 O ATOM 1422 CB GLN A 95 4.967 10.764 -7.573 1.00 0.00 C ATOM 1423 CG GLN A 95 5.346 9.486 -8.304 1.00 0.00 C ATOM 1424 CD GLN A 95 4.136 8.705 -8.778 1.00 0.00 C ATOM 1425 OE1 GLN A 95 4.367 7.486 -9.253 1.00 0.00 O flip ATOM 1426 NE2 GLN A 95 3.006 9.190 -8.717 1.00 0.00 N flip ATOM 0 H GLN A 95 4.932 11.214 -4.675 1.00 0.00 H new ATOM 0 HA GLN A 95 6.953 10.768 -6.749 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.987 10.633 -7.113 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.874 11.573 -8.297 1.00 0.00 H new ATOM 0 HG2 GLN A 95 5.972 9.734 -9.161 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.944 8.858 -7.644 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.874 10.130 -8.345 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.202 8.651 -9.039 1.00 0.00 H new ATOM 1435 N ASN A 96 7.295 13.204 -6.598 1.00 0.00 N ATOM 1436 CA ASN A 96 7.532 14.642 -6.561 1.00 0.00 C ATOM 1437 C ASN A 96 7.933 15.164 -7.937 1.00 0.00 C ATOM 1438 O ASN A 96 7.996 14.407 -8.906 1.00 0.00 O ATOM 1439 CB ASN A 96 8.622 14.974 -5.540 1.00 0.00 C ATOM 1440 CG ASN A 96 10.014 14.668 -6.059 1.00 0.00 C ATOM 1441 OD1 ASN A 96 10.782 15.575 -6.381 1.00 0.00 O ATOM 1442 ND2 ASN A 96 10.344 13.385 -6.144 1.00 0.00 N ATOM 0 H ASN A 96 8.132 12.643 -6.758 1.00 0.00 H new ATOM 0 HA ASN A 96 6.604 15.130 -6.264 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.560 16.030 -5.277 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.445 14.406 -4.626 1.00 0.00 H new ATOM 0 HD21 ASN A 96 11.266 13.117 -6.487 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.675 12.667 -5.866 1.00 0.00 H new ATOM 1449 N LYS A 97 8.205 16.462 -8.016 1.00 0.00 N ATOM 1450 CA LYS A 97 8.603 17.086 -9.272 1.00 0.00 C ATOM 1451 C LYS A 97 9.512 16.162 -10.075 1.00 0.00 C ATOM 1452 O LYS A 97 9.551 16.228 -11.304 1.00 0.00 O ATOM 1453 CB LYS A 97 9.316 18.413 -9.002 1.00 0.00 C ATOM 1454 CG LYS A 97 10.704 18.248 -8.408 1.00 0.00 C ATOM 1455 CD LYS A 97 10.665 18.251 -6.889 1.00 0.00 C ATOM 1456 CE LYS A 97 10.782 19.661 -6.332 1.00 0.00 C ATOM 1457 NZ LYS A 97 10.675 19.681 -4.846 1.00 0.00 N ATOM 0 H LYS A 97 8.157 17.103 -7.224 1.00 0.00 H new ATOM 0 HA LYS A 97 7.702 17.277 -9.856 1.00 0.00 H new ATOM 0 HB2 LYS A 97 9.393 18.971 -9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.708 19.011 -8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.142 17.314 -8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.349 19.054 -8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.734 17.800 -6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.478 17.637 -6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.737 20.092 -6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.000 20.287 -6.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.760 20.660 -4.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.754 19.293 -4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.437 19.104 -4.435 1.00 0.00 H new ATOM 1471 N HIS A 98 10.242 15.300 -9.373 1.00 0.00 N ATOM 1472 CA HIS A 98 11.149 14.361 -10.022 1.00 0.00 C ATOM 1473 C HIS A 98 10.374 13.226 -10.684 1.00 0.00 C ATOM 1474 O HIS A 98 10.289 13.152 -11.909 1.00 0.00 O ATOM 1475 CB HIS A 98 12.140 13.792 -9.006 1.00 0.00 C ATOM 1476 CG HIS A 98 12.796 14.838 -8.158 1.00 0.00 C ATOM 1477 ND1 HIS A 98 13.167 14.818 -6.857 1.00 0.00 N flip ATOM 1478 CD2 HIS A 98 13.141 16.085 -8.635 1.00 0.00 C flip ATOM 1479 CE1 HIS A 98 13.726 16.040 -6.574 1.00 0.00 C flip ATOM 1480 NE2 HIS A 98 13.699 16.786 -7.664 1.00 0.00 N flip ATOM 0 H HIS A 98 10.223 15.233 -8.355 1.00 0.00 H new ATOM 0 HA HIS A 98 11.699 14.900 -10.793 1.00 0.00 H new ATOM 0 HB2 HIS A 98 11.619 13.086 -8.359 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.909 13.231 -9.536 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.980 16.434 -9.644 1.00 0.00 H new ATOM 0 HE1 HIS A 98 14.123 16.342 -5.616 1.00 0.00 H new ATOM 0 HE2 HIS A 98 14.049 17.741 -7.743 1.00 0.00 H new ATOM 1489 N GLY A 99 9.811 12.343 -9.865 1.00 0.00 N ATOM 1490 CA GLY A 99 9.051 11.223 -10.390 1.00 0.00 C ATOM 1491 C GLY A 99 8.794 10.156 -9.345 1.00 0.00 C ATOM 1492 O GLY A 99 8.586 10.464 -8.172 1.00 0.00 O ATOM 0 H GLY A 99 9.867 12.383 -8.847 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.099 11.584 -10.778 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.590 10.783 -11.229 1.00 0.00 H new ATOM 1496 N SER A 100 8.808 8.897 -9.772 1.00 0.00 N ATOM 1497 CA SER A 100 8.569 7.780 -8.865 1.00 0.00 C ATOM 1498 C SER A 100 9.842 7.412 -8.109 1.00 0.00 C ATOM 1499 O SER A 100 10.843 7.021 -8.708 1.00 0.00 O ATOM 1500 CB SER A 100 8.055 6.566 -9.641 1.00 0.00 C ATOM 1501 OG SER A 100 8.815 6.355 -10.819 1.00 0.00 O ATOM 0 H SER A 100 8.982 8.625 -10.740 1.00 0.00 H new ATOM 0 HA SER A 100 7.813 8.087 -8.142 1.00 0.00 H new ATOM 0 HB2 SER A 100 8.104 5.679 -9.009 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.007 6.714 -9.902 1.00 0.00 H new ATOM 0 HG SER A 100 9.765 6.499 -10.626 1.00 0.00 H new ATOM 1507 N GLY A 101 9.796 7.542 -6.786 1.00 0.00 N ATOM 1508 CA GLY A 101 10.951 7.220 -5.969 1.00 0.00 C ATOM 1509 C GLY A 101 11.073 5.734 -5.696 1.00 0.00 C ATOM 1510 O GLY A 101 11.454 4.965 -6.578 1.00 0.00 O ATOM 0 H GLY A 101 8.980 7.864 -6.266 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.854 7.570 -6.469 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.883 7.756 -5.022 1.00 0.00 H new ATOM 1514 N GLU A 102 10.749 5.330 -4.472 1.00 0.00 N ATOM 1515 CA GLU A 102 10.826 3.926 -4.086 1.00 0.00 C ATOM 1516 C GLU A 102 9.443 3.378 -3.746 1.00 0.00 C ATOM 1517 O GLU A 102 8.577 4.106 -3.262 1.00 0.00 O ATOM 1518 CB GLU A 102 11.764 3.753 -2.889 1.00 0.00 C ATOM 1519 CG GLU A 102 12.009 2.302 -2.512 1.00 0.00 C ATOM 1520 CD GLU A 102 13.020 1.627 -3.419 1.00 0.00 C ATOM 1521 OE1 GLU A 102 13.874 2.337 -3.989 1.00 0.00 O ATOM 1522 OE2 GLU A 102 12.956 0.387 -3.558 1.00 0.00 O ATOM 0 H GLU A 102 10.431 5.955 -3.731 1.00 0.00 H new ATOM 0 HA GLU A 102 11.222 3.365 -4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 102 12.719 4.227 -3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.344 4.277 -2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.361 2.253 -1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.067 1.755 -2.554 1.00 0.00 H new ATOM 1529 N SER A 103 9.244 2.089 -4.004 1.00 0.00 N ATOM 1530 CA SER A 103 7.965 1.443 -3.730 1.00 0.00 C ATOM 1531 C SER A 103 7.953 0.835 -2.331 1.00 0.00 C ATOM 1532 O SER A 103 8.714 -0.087 -2.037 1.00 0.00 O ATOM 1533 CB SER A 103 7.683 0.360 -4.773 1.00 0.00 C ATOM 1534 OG SER A 103 8.677 -0.649 -4.741 1.00 0.00 O ATOM 0 H SER A 103 9.952 1.472 -4.402 1.00 0.00 H new ATOM 0 HA SER A 103 7.183 2.201 -3.784 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.705 -0.083 -4.587 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.646 0.808 -5.766 1.00 0.00 H new ATOM 0 HG SER A 103 9.062 -0.701 -3.841 1.00 0.00 H new ATOM 1540 N SER A 104 7.084 1.358 -1.473 1.00 0.00 N ATOM 1541 CA SER A 104 6.974 0.869 -0.103 1.00 0.00 C ATOM 1542 C SER A 104 6.880 -0.653 -0.075 1.00 0.00 C ATOM 1543 O SER A 104 6.823 -1.302 -1.119 1.00 0.00 O ATOM 1544 CB SER A 104 5.750 1.480 0.582 1.00 0.00 C ATOM 1545 OG SER A 104 4.554 1.098 -0.076 1.00 0.00 O ATOM 0 H SER A 104 6.446 2.120 -1.701 1.00 0.00 H new ATOM 0 HA SER A 104 7.872 1.170 0.437 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.714 1.160 1.623 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.836 2.567 0.586 1.00 0.00 H new ATOM 0 HG SER A 104 4.588 1.388 -1.011 1.00 0.00 H new ATOM 1551 N ALA A 105 6.864 -1.217 1.129 1.00 0.00 N ATOM 1552 CA ALA A 105 6.775 -2.662 1.294 1.00 0.00 C ATOM 1553 C ALA A 105 5.413 -3.183 0.849 1.00 0.00 C ATOM 1554 O ALA A 105 4.388 -2.517 0.999 1.00 0.00 O ATOM 1555 CB ALA A 105 7.041 -3.045 2.743 1.00 0.00 C ATOM 0 H ALA A 105 6.912 -0.695 2.004 1.00 0.00 H new ATOM 0 HA ALA A 105 7.535 -3.122 0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.971 -4.127 2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.040 -2.715 3.029 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.303 -2.567 3.387 1.00 0.00 H new ATOM 1561 N PRO A 106 5.399 -4.401 0.287 1.00 0.00 N ATOM 1562 CA PRO A 106 4.168 -5.037 -0.191 1.00 0.00 C ATOM 1563 C PRO A 106 3.244 -5.446 0.951 1.00 0.00 C ATOM 1564 O PRO A 106 3.528 -6.395 1.683 1.00 0.00 O ATOM 1565 CB PRO A 106 4.675 -6.274 -0.937 1.00 0.00 C ATOM 1566 CG PRO A 106 5.994 -6.578 -0.315 1.00 0.00 C ATOM 1567 CD PRO A 106 6.583 -5.250 0.076 1.00 0.00 C ATOM 0 HA PRO A 106 3.575 -4.362 -0.808 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.985 -7.111 -0.830 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.776 -6.078 -2.005 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.876 -7.224 0.555 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.644 -7.102 -1.015 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.187 -5.329 0.980 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.229 -4.851 -0.706 1.00 0.00 H new ATOM 1575 N LEU A 107 2.139 -4.725 1.099 1.00 0.00 N ATOM 1576 CA LEU A 107 1.172 -5.013 2.153 1.00 0.00 C ATOM 1577 C LEU A 107 0.173 -6.073 1.700 1.00 0.00 C ATOM 1578 O LEU A 107 -0.611 -5.848 0.777 1.00 0.00 O ATOM 1579 CB LEU A 107 0.432 -3.737 2.556 1.00 0.00 C ATOM 1580 CG LEU A 107 -0.693 -3.908 3.577 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -0.137 -4.382 4.910 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -1.459 -2.604 3.750 1.00 0.00 C ATOM 0 H LEU A 107 1.890 -3.936 0.502 1.00 0.00 H new ATOM 0 HA LEU A 107 1.716 -5.398 3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.158 -3.032 2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.014 -3.284 1.657 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.383 -4.665 3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.953 -4.498 5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.366 -5.340 4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.575 -3.649 5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.256 -2.744 4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.780 -1.826 4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.891 -2.306 2.795 1.00 0.00 H new ATOM 1594 N ARG A 108 0.205 -7.228 2.357 1.00 0.00 N ATOM 1595 CA ARG A 108 -0.699 -8.322 2.023 1.00 0.00 C ATOM 1596 C ARG A 108 -2.065 -8.116 2.671 1.00 0.00 C ATOM 1597 O ARG A 108 -2.244 -8.374 3.861 1.00 0.00 O ATOM 1598 CB ARG A 108 -0.105 -9.658 2.474 1.00 0.00 C ATOM 1599 CG ARG A 108 -1.018 -10.847 2.220 1.00 0.00 C ATOM 1600 CD ARG A 108 -0.269 -12.163 2.360 1.00 0.00 C ATOM 1601 NE ARG A 108 -0.123 -12.563 3.757 1.00 0.00 N ATOM 1602 CZ ARG A 108 0.150 -13.805 4.141 1.00 0.00 C ATOM 1603 NH1 ARG A 108 0.306 -14.763 3.237 1.00 0.00 N ATOM 1604 NH2 ARG A 108 0.269 -14.091 5.431 1.00 0.00 N ATOM 0 H ARG A 108 0.847 -7.430 3.123 1.00 0.00 H new ATOM 0 HA ARG A 108 -0.828 -8.336 0.941 1.00 0.00 H new ATOM 0 HB2 ARG A 108 0.840 -9.819 1.956 1.00 0.00 H new ATOM 0 HB3 ARG A 108 0.120 -9.605 3.539 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -1.851 -10.824 2.923 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.443 -10.774 1.219 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -0.800 -12.942 1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 108 0.717 -12.069 1.905 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.237 -11.850 4.477 1.00 0.00 H new ATOM 0 HH11 ARG A 108 0.216 -14.547 2.244 1.00 0.00 H new ATOM 0 HH12 ARG A 108 0.516 -15.716 3.535 1.00 0.00 H new ATOM 0 HH21 ARG A 108 0.151 -13.357 6.129 1.00 0.00 H new ATOM 0 HH22 ARG A 108 0.479 -15.045 5.725 1.00 0.00 H new ATOM 1618 N VAL A 109 -3.026 -7.649 1.879 1.00 0.00 N ATOM 1619 CA VAL A 109 -4.375 -7.409 2.375 1.00 0.00 C ATOM 1620 C VAL A 109 -5.372 -8.378 1.748 1.00 0.00 C ATOM 1621 O VAL A 109 -5.386 -8.567 0.532 1.00 0.00 O ATOM 1622 CB VAL A 109 -4.830 -5.966 2.089 1.00 0.00 C ATOM 1623 CG1 VAL A 109 -6.233 -5.731 2.627 1.00 0.00 C ATOM 1624 CG2 VAL A 109 -3.847 -4.970 2.686 1.00 0.00 C ATOM 0 H VAL A 109 -2.894 -7.430 0.892 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.348 -7.567 3.453 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.852 -5.818 1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.537 -4.706 2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.927 -6.422 2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.242 -5.897 3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.184 -3.955 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.791 -5.116 3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -2.861 -5.124 2.247 1.00 0.00 H new ATOM 1634 N GLU A 110 -6.203 -8.988 2.586 1.00 0.00 N ATOM 1635 CA GLU A 110 -7.203 -9.938 2.113 1.00 0.00 C ATOM 1636 C GLU A 110 -8.614 -9.421 2.378 1.00 0.00 C ATOM 1637 O GLU A 110 -8.974 -9.120 3.517 1.00 0.00 O ATOM 1638 CB GLU A 110 -7.010 -11.296 2.791 1.00 0.00 C ATOM 1639 CG GLU A 110 -7.943 -12.376 2.269 1.00 0.00 C ATOM 1640 CD GLU A 110 -7.918 -13.631 3.120 1.00 0.00 C ATOM 1641 OE1 GLU A 110 -7.668 -13.517 4.338 1.00 0.00 O ATOM 1642 OE2 GLU A 110 -8.149 -14.726 2.567 1.00 0.00 O ATOM 0 H GLU A 110 -6.204 -8.842 3.595 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.074 -10.055 1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.979 -11.620 2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.164 -11.182 3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -8.960 -11.986 2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.663 -12.629 1.246 1.00 0.00 H new ATOM 1649 N THR A 111 -9.410 -9.319 1.318 1.00 0.00 N ATOM 1650 CA THR A 111 -10.780 -8.837 1.435 1.00 0.00 C ATOM 1651 C THR A 111 -11.648 -9.827 2.203 1.00 0.00 C ATOM 1652 O THR A 111 -11.171 -10.871 2.645 1.00 0.00 O ATOM 1653 CB THR A 111 -11.408 -8.588 0.051 1.00 0.00 C ATOM 1654 OG1 THR A 111 -11.008 -9.618 -0.861 1.00 0.00 O ATOM 1655 CG2 THR A 111 -10.992 -7.231 -0.496 1.00 0.00 C ATOM 0 H THR A 111 -9.129 -9.564 0.369 1.00 0.00 H new ATOM 0 HA THR A 111 -10.737 -7.895 1.982 1.00 0.00 H new ATOM 0 HB THR A 111 -12.492 -8.601 0.161 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.203 -9.336 -1.779 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.448 -7.078 -1.474 1.00 0.00 H new ATOM 0 HG22 THR A 111 -11.323 -6.447 0.185 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.907 -7.194 -0.592 1.00 0.00 H new ATOM 1663 N GLN A 112 -12.925 -9.492 2.358 1.00 0.00 N ATOM 1664 CA GLN A 112 -13.859 -10.353 3.074 1.00 0.00 C ATOM 1665 C GLN A 112 -14.825 -11.030 2.107 1.00 0.00 C ATOM 1666 O GLN A 112 -15.214 -10.468 1.083 1.00 0.00 O ATOM 1667 CB GLN A 112 -14.640 -9.543 4.110 1.00 0.00 C ATOM 1668 CG GLN A 112 -13.883 -8.334 4.634 1.00 0.00 C ATOM 1669 CD GLN A 112 -12.824 -8.705 5.654 1.00 0.00 C ATOM 1670 OE1 GLN A 112 -12.521 -9.882 5.850 1.00 0.00 O ATOM 1671 NE2 GLN A 112 -12.255 -7.700 6.309 1.00 0.00 N ATOM 0 H GLN A 112 -13.336 -8.631 1.998 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.284 -11.125 3.585 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.578 -9.209 3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -14.897 -10.192 4.948 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.412 -7.815 3.799 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -14.588 -7.636 5.086 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.537 -6.739 6.114 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -11.535 -7.889 7.007 1.00 0.00 H new ATOM 1680 N PRO A 113 -15.222 -12.268 2.437 1.00 0.00 N ATOM 1681 CA PRO A 113 -16.147 -13.049 1.611 1.00 0.00 C ATOM 1682 C PRO A 113 -17.563 -12.484 1.633 1.00 0.00 C ATOM 1683 O PRO A 113 -18.252 -12.553 2.650 1.00 0.00 O ATOM 1684 CB PRO A 113 -16.115 -14.437 2.257 1.00 0.00 C ATOM 1685 CG PRO A 113 -15.723 -14.186 3.672 1.00 0.00 C ATOM 1686 CD PRO A 113 -14.798 -13.001 3.642 1.00 0.00 C ATOM 0 HA PRO A 113 -15.856 -13.046 0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.088 -14.925 2.196 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -15.399 -15.090 1.758 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.598 -13.982 4.289 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.227 -15.057 4.100 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -14.898 -12.391 4.540 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.754 -13.308 3.579 1.00 0.00 H new ATOM 1694 N GLU A 114 -17.990 -11.925 0.505 1.00 0.00 N ATOM 1695 CA GLU A 114 -19.324 -11.347 0.397 1.00 0.00 C ATOM 1696 C GLU A 114 -20.251 -12.262 -0.398 1.00 0.00 C ATOM 1697 O GLU A 114 -21.387 -12.514 0.004 1.00 0.00 O ATOM 1698 CB GLU A 114 -19.256 -9.970 -0.267 1.00 0.00 C ATOM 1699 CG GLU A 114 -18.709 -10.005 -1.684 1.00 0.00 C ATOM 1700 CD GLU A 114 -19.791 -10.230 -2.722 1.00 0.00 C ATOM 1701 OE1 GLU A 114 -20.900 -9.682 -2.550 1.00 0.00 O ATOM 1702 OE2 GLU A 114 -19.529 -10.954 -3.705 1.00 0.00 O ATOM 0 H GLU A 114 -17.432 -11.860 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 114 -19.726 -11.237 1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -20.255 -9.534 -0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -18.631 -9.314 0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -18.198 -9.066 -1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -17.965 -10.798 -1.763 1.00 0.00 H new ATOM 1709 N SER A 115 -19.757 -12.757 -1.528 1.00 0.00 N ATOM 1710 CA SER A 115 -20.541 -13.641 -2.383 1.00 0.00 C ATOM 1711 C SER A 115 -21.449 -14.539 -1.548 1.00 0.00 C ATOM 1712 O SER A 115 -21.048 -15.045 -0.500 1.00 0.00 O ATOM 1713 CB SER A 115 -19.617 -14.497 -3.251 1.00 0.00 C ATOM 1714 OG SER A 115 -18.947 -15.475 -2.474 1.00 0.00 O ATOM 0 H SER A 115 -18.817 -12.561 -1.873 1.00 0.00 H new ATOM 0 HA SER A 115 -21.164 -13.023 -3.029 1.00 0.00 H new ATOM 0 HB2 SER A 115 -20.198 -14.985 -4.034 1.00 0.00 H new ATOM 0 HB3 SER A 115 -18.886 -13.859 -3.748 1.00 0.00 H new ATOM 0 HG SER A 115 -18.364 -16.010 -3.053 1.00 0.00 H new ATOM 1720 N GLY A 116 -22.676 -14.733 -2.021 1.00 0.00 N ATOM 1721 CA GLY A 116 -23.623 -15.570 -1.307 1.00 0.00 C ATOM 1722 C GLY A 116 -25.062 -15.207 -1.612 1.00 0.00 C ATOM 1723 O GLY A 116 -25.370 -14.613 -2.646 1.00 0.00 O ATOM 0 H GLY A 116 -23.031 -14.326 -2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -23.451 -16.614 -1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -23.448 -15.479 -0.235 1.00 0.00 H new ATOM 1727 N PRO A 117 -25.975 -15.570 -0.698 1.00 0.00 N ATOM 1728 CA PRO A 117 -27.405 -15.289 -0.853 1.00 0.00 C ATOM 1729 C PRO A 117 -27.723 -13.804 -0.723 1.00 0.00 C ATOM 1730 O PRO A 117 -28.864 -13.384 -0.913 1.00 0.00 O ATOM 1731 CB PRO A 117 -28.047 -16.075 0.294 1.00 0.00 C ATOM 1732 CG PRO A 117 -26.973 -16.193 1.320 1.00 0.00 C ATOM 1733 CD PRO A 117 -25.680 -16.280 0.558 1.00 0.00 C ATOM 0 HA PRO A 117 -27.770 -15.572 -1.840 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -28.919 -15.555 0.691 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -28.386 -17.056 -0.039 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -26.975 -15.332 1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -27.121 -17.077 1.940 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -24.861 -15.810 1.102 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -25.390 -17.315 0.376 1.00 0.00 H new ATOM 1741 N SER A 118 -26.705 -13.012 -0.399 1.00 0.00 N ATOM 1742 CA SER A 118 -26.877 -11.573 -0.241 1.00 0.00 C ATOM 1743 C SER A 118 -27.691 -10.993 -1.394 1.00 0.00 C ATOM 1744 O SER A 118 -28.786 -10.468 -1.192 1.00 0.00 O ATOM 1745 CB SER A 118 -25.514 -10.880 -0.165 1.00 0.00 C ATOM 1746 OG SER A 118 -25.583 -9.703 0.621 1.00 0.00 O ATOM 0 H SER A 118 -25.753 -13.343 -0.241 1.00 0.00 H new ATOM 0 HA SER A 118 -27.419 -11.397 0.688 1.00 0.00 H new ATOM 0 HB2 SER A 118 -24.779 -11.563 0.261 1.00 0.00 H new ATOM 0 HB3 SER A 118 -25.173 -10.631 -1.170 1.00 0.00 H new ATOM 0 HG SER A 118 -24.700 -9.280 0.655 1.00 0.00 H new ATOM 1752 N SER A 119 -27.147 -11.092 -2.603 1.00 0.00 N ATOM 1753 CA SER A 119 -27.820 -10.574 -3.788 1.00 0.00 C ATOM 1754 C SER A 119 -29.144 -11.296 -4.020 1.00 0.00 C ATOM 1755 O SER A 119 -30.206 -10.675 -4.048 1.00 0.00 O ATOM 1756 CB SER A 119 -26.922 -10.725 -5.017 1.00 0.00 C ATOM 1757 OG SER A 119 -27.229 -9.748 -5.997 1.00 0.00 O ATOM 0 H SER A 119 -26.243 -11.526 -2.787 1.00 0.00 H new ATOM 0 HA SER A 119 -28.026 -9.516 -3.625 1.00 0.00 H new ATOM 0 HB2 SER A 119 -25.877 -10.632 -4.721 1.00 0.00 H new ATOM 0 HB3 SER A 119 -27.046 -11.721 -5.441 1.00 0.00 H new ATOM 0 HG SER A 119 -26.640 -9.865 -6.771 1.00 0.00 H new ATOM 1763 N GLY A 120 -29.071 -12.613 -4.187 1.00 0.00 N ATOM 1764 CA GLY A 120 -30.270 -13.399 -4.415 1.00 0.00 C ATOM 1765 C GLY A 120 -30.795 -13.259 -5.830 1.00 0.00 C ATOM 1766 O GLY A 120 -31.853 -13.793 -6.162 1.00 0.00 O ATOM 0 H GLY A 120 -28.204 -13.150 -4.169 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -30.057 -14.448 -4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -31.043 -13.089 -3.712 1.00 0.00 H new TER 1770 GLY A 120