USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 759 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 8 ASN : amide:sc= 0.376 K(o=0.78,f=-1.7) USER MOD Set 1.2: A 93 ASN : amide:sc= 0.401 K(o=0.78,f=-1.2) USER MOD Set 2.1: A 25 SER OG : rot 86:sc= 1.29 USER MOD Set 2.2: A 101 HIS : no HD1:sc= 1.08 K(o=2.4,f=-4.2!) USER MOD Single : A 1 ALA N :NH3+ 143:sc= 0.00968 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot -66:sc= 0.458 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 1.19 K(o=1.2,f=-0.36) USER MOD Single : A 12 SER OG : rot 180:sc= 0.138 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 19 TYR OH : rot -151:sc= 0.431 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 123:sc= 1.17 (180deg=0.00613) USER MOD Single : A 29 SER OG : rot 68:sc= 0.923 USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0608) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -87:sc= -0.884 USER MOD Single : A 36 SER OG : rot 148:sc= 0.431 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 136:sc= 1.25 (180deg=0.118) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.274 K(o=-0.27,f=-1.4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 175:sc= 0.754 (180deg=0.733) USER MOD Single : A 84 SER OG : rot -152:sc= 1.41 USER MOD Single : A 85 GLN : amide:sc= -0.0425 K(o=-0.043,f=-2.9) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0502 USER MOD Single : A 92 LYS NZ :NH3+ -108:sc= 1.18 (180deg=-0.559) USER MOD Single : A 99 LYS NZ :NH3+ -161:sc= 1.27 (180deg=0.403) USER MOD Single : A 102 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.570 29.352 -3.476 1.00 0.00 N ATOM 2 CA ALA A 1 -1.087 27.960 -3.600 1.00 0.00 C ATOM 3 C ALA A 1 0.407 27.934 -3.888 1.00 0.00 C ATOM 4 O ALA A 1 0.908 28.727 -4.686 1.00 0.00 O ATOM 5 CB ALA A 1 -1.846 27.233 -4.698 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.520 29.428 -3.892 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.610 29.617 -2.471 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.920 29.991 -3.977 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.265 27.450 -2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.479 26.210 -4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.909 27.220 -4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.694 27.747 -5.647 1.00 0.00 H new ATOM 13 N GLU A 2 1.113 27.010 -3.256 1.00 0.00 N ATOM 14 CA GLU A 2 2.546 26.866 -3.469 1.00 0.00 C ATOM 15 C GLU A 2 2.846 25.566 -4.198 1.00 0.00 C ATOM 16 O GLU A 2 2.118 24.581 -4.055 1.00 0.00 O ATOM 17 CB GLU A 2 3.302 26.878 -2.136 1.00 0.00 C ATOM 18 CG GLU A 2 2.971 28.059 -1.239 1.00 0.00 C ATOM 19 CD GLU A 2 3.033 27.694 0.230 1.00 0.00 C ATOM 20 OE1 GLU A 2 2.004 27.244 0.776 1.00 0.00 O ATOM 21 OE2 GLU A 2 4.111 27.844 0.840 1.00 0.00 O ATOM 0 H GLU A 2 0.717 26.347 -2.590 1.00 0.00 H new ATOM 0 HA GLU A 2 2.877 27.710 -4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.081 25.956 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.373 26.880 -2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.668 28.873 -1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.974 28.427 -1.479 1.00 0.00 H new ATOM 28 N PHE A 3 3.975 25.535 -4.888 1.00 0.00 N ATOM 29 CA PHE A 3 4.447 24.319 -5.533 1.00 0.00 C ATOM 30 C PHE A 3 5.676 23.807 -4.805 1.00 0.00 C ATOM 31 O PHE A 3 5.824 22.603 -4.570 1.00 0.00 O ATOM 32 CB PHE A 3 4.785 24.579 -7.005 1.00 0.00 C ATOM 33 CG PHE A 3 3.589 24.581 -7.913 1.00 0.00 C ATOM 34 CD1 PHE A 3 2.695 25.640 -7.904 1.00 0.00 C ATOM 35 CD2 PHE A 3 3.363 23.526 -8.780 1.00 0.00 C ATOM 36 CE1 PHE A 3 1.598 25.646 -8.743 1.00 0.00 C ATOM 37 CE2 PHE A 3 2.268 23.525 -9.621 1.00 0.00 C ATOM 38 CZ PHE A 3 1.384 24.587 -9.604 1.00 0.00 C ATOM 0 H PHE A 3 4.585 26.343 -5.016 1.00 0.00 H new ATOM 0 HA PHE A 3 3.656 23.571 -5.491 1.00 0.00 H new ATOM 0 HB2 PHE A 3 5.292 25.540 -7.087 1.00 0.00 H new ATOM 0 HB3 PHE A 3 5.487 23.818 -7.346 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.858 26.470 -7.233 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.051 22.694 -8.799 1.00 0.00 H new ATOM 0 HE1 PHE A 3 0.909 26.477 -8.726 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.102 22.695 -10.292 1.00 0.00 H new ATOM 0 HZ PHE A 3 0.528 24.589 -10.262 1.00 0.00 H new ATOM 48 N GLY A 4 6.558 24.737 -4.457 1.00 0.00 N ATOM 49 CA GLY A 4 7.782 24.393 -3.769 1.00 0.00 C ATOM 50 C GLY A 4 8.758 23.693 -4.683 1.00 0.00 C ATOM 51 O GLY A 4 8.917 24.076 -5.843 1.00 0.00 O ATOM 0 H GLY A 4 6.442 25.733 -4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.242 25.297 -3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.553 23.750 -2.919 1.00 0.00 H new ATOM 55 N ASN A 5 9.337 22.613 -4.196 1.00 0.00 N ATOM 56 CA ASN A 5 10.216 21.793 -5.006 1.00 0.00 C ATOM 57 C ASN A 5 9.730 20.355 -4.982 1.00 0.00 C ATOM 58 O ASN A 5 10.346 19.481 -4.365 1.00 0.00 O ATOM 59 CB ASN A 5 11.661 21.879 -4.507 1.00 0.00 C ATOM 60 CG ASN A 5 12.650 22.069 -5.641 1.00 0.00 C ATOM 61 OD1 ASN A 5 13.192 21.104 -6.181 1.00 0.00 O ATOM 62 ND2 ASN A 5 12.886 23.318 -6.012 1.00 0.00 N ATOM 0 H ASN A 5 9.214 22.282 -3.239 1.00 0.00 H new ATOM 0 HA ASN A 5 10.196 22.163 -6.031 1.00 0.00 H new ATOM 0 HB2 ASN A 5 11.752 22.708 -3.805 1.00 0.00 H new ATOM 0 HB3 ASN A 5 11.909 20.970 -3.960 1.00 0.00 H new ATOM 0 HD21 ASN A 5 13.538 23.510 -6.772 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.415 24.089 -5.538 1.00 0.00 H new ATOM 69 N THR A 6 8.566 20.145 -5.580 1.00 0.00 N ATOM 70 CA THR A 6 7.909 18.850 -5.569 1.00 0.00 C ATOM 71 C THR A 6 8.747 17.803 -6.290 1.00 0.00 C ATOM 72 O THR A 6 8.952 16.705 -5.772 1.00 0.00 O ATOM 73 CB THR A 6 6.522 18.955 -6.224 1.00 0.00 C ATOM 74 OG1 THR A 6 6.226 20.335 -6.492 1.00 0.00 O ATOM 75 CG2 THR A 6 5.449 18.367 -5.317 1.00 0.00 C ATOM 0 H THR A 6 8.053 20.867 -6.085 1.00 0.00 H new ATOM 0 HA THR A 6 7.794 18.538 -4.531 1.00 0.00 H new ATOM 0 HB THR A 6 6.531 18.390 -7.156 1.00 0.00 H new ATOM 0 HG1 THR A 6 6.137 20.821 -5.646 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.476 18.452 -5.801 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.669 17.316 -5.127 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.433 18.911 -4.372 1.00 0.00 H new ATOM 83 N LYS A 7 9.243 18.163 -7.473 1.00 0.00 N ATOM 84 CA LYS A 7 10.082 17.283 -8.281 1.00 0.00 C ATOM 85 C LYS A 7 9.373 15.958 -8.545 1.00 0.00 C ATOM 86 O LYS A 7 9.819 14.898 -8.100 1.00 0.00 O ATOM 87 CB LYS A 7 11.436 17.046 -7.602 1.00 0.00 C ATOM 88 CG LYS A 7 12.516 16.557 -8.553 1.00 0.00 C ATOM 89 CD LYS A 7 13.827 17.294 -8.337 1.00 0.00 C ATOM 90 CE LYS A 7 14.695 17.268 -9.585 1.00 0.00 C ATOM 91 NZ LYS A 7 16.098 16.885 -9.275 1.00 0.00 N ATOM 0 H LYS A 7 9.073 19.075 -7.898 1.00 0.00 H new ATOM 0 HA LYS A 7 10.264 17.772 -9.238 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.767 17.974 -7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.309 16.316 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.671 15.488 -8.409 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.185 16.696 -9.582 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.622 18.327 -8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.368 16.840 -7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.277 16.564 -10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.682 18.250 -10.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.658 16.879 -10.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.506 17.571 -8.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.113 15.937 -8.848 1.00 0.00 H new ATOM 105 N ASN A 8 8.252 16.037 -9.251 1.00 0.00 N ATOM 106 CA ASN A 8 7.454 14.859 -9.569 1.00 0.00 C ATOM 107 C ASN A 8 8.280 13.854 -10.365 1.00 0.00 C ATOM 108 O ASN A 8 8.821 14.179 -11.425 1.00 0.00 O ATOM 109 CB ASN A 8 6.205 15.267 -10.357 1.00 0.00 C ATOM 110 CG ASN A 8 5.401 14.081 -10.853 1.00 0.00 C ATOM 111 OD1 ASN A 8 5.371 13.022 -10.226 1.00 0.00 O ATOM 112 ND2 ASN A 8 4.736 14.258 -11.984 1.00 0.00 N ATOM 0 H ASN A 8 7.873 16.911 -9.616 1.00 0.00 H new ATOM 0 HA ASN A 8 7.142 14.386 -8.638 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.571 15.889 -9.725 1.00 0.00 H new ATOM 0 HB3 ASN A 8 6.504 15.878 -11.209 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.171 13.500 -12.367 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.788 15.152 -12.472 1.00 0.00 H new ATOM 119 N ASN A 9 8.404 12.651 -9.827 1.00 0.00 N ATOM 120 CA ASN A 9 9.197 11.605 -10.459 1.00 0.00 C ATOM 121 C ASN A 9 8.573 10.238 -10.196 1.00 0.00 C ATOM 122 O ASN A 9 7.738 9.773 -10.972 1.00 0.00 O ATOM 123 CB ASN A 9 10.639 11.642 -9.942 1.00 0.00 C ATOM 124 CG ASN A 9 11.575 10.769 -10.756 1.00 0.00 C ATOM 125 OD1 ASN A 9 11.542 10.775 -11.987 1.00 0.00 O ATOM 126 ND2 ASN A 9 12.413 10.006 -10.074 1.00 0.00 N ATOM 0 H ASN A 9 7.964 12.373 -8.950 1.00 0.00 H new ATOM 0 HA ASN A 9 9.211 11.780 -11.535 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.001 12.670 -9.959 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.656 11.315 -8.902 1.00 0.00 H new ATOM 0 HD21 ASN A 9 13.063 9.394 -10.568 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.410 10.030 -9.054 1.00 0.00 H new ATOM 133 N GLY A 10 8.952 9.618 -9.083 1.00 0.00 N ATOM 134 CA GLY A 10 8.387 8.332 -8.718 1.00 0.00 C ATOM 135 C GLY A 10 9.106 7.172 -9.381 1.00 0.00 C ATOM 136 O GLY A 10 9.463 7.240 -10.558 1.00 0.00 O ATOM 0 H GLY A 10 9.641 9.984 -8.426 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.433 8.213 -7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.334 8.309 -8.997 1.00 0.00 H new ATOM 140 N ALA A 11 9.319 6.104 -8.627 1.00 0.00 N ATOM 141 CA ALA A 11 9.996 4.924 -9.149 1.00 0.00 C ATOM 142 C ALA A 11 8.994 3.909 -9.685 1.00 0.00 C ATOM 143 O ALA A 11 7.792 4.006 -9.414 1.00 0.00 O ATOM 144 CB ALA A 11 10.870 4.294 -8.074 1.00 0.00 C ATOM 0 H ALA A 11 9.033 6.029 -7.651 1.00 0.00 H new ATOM 0 HA ALA A 11 10.632 5.238 -9.977 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.369 3.414 -8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.618 5.015 -7.744 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.250 4.001 -7.227 1.00 0.00 H new ATOM 150 N SER A 12 9.487 2.965 -10.474 1.00 0.00 N ATOM 151 CA SER A 12 8.644 1.956 -11.092 1.00 0.00 C ATOM 152 C SER A 12 8.198 0.910 -10.070 1.00 0.00 C ATOM 153 O SER A 12 7.009 0.597 -9.968 1.00 0.00 O ATOM 154 CB SER A 12 9.400 1.293 -12.242 1.00 0.00 C ATOM 155 OG SER A 12 10.676 1.895 -12.417 1.00 0.00 O ATOM 0 H SER A 12 10.477 2.878 -10.702 1.00 0.00 H new ATOM 0 HA SER A 12 7.749 2.440 -11.482 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.519 0.229 -12.040 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.822 1.380 -13.162 1.00 0.00 H new ATOM 0 HG SER A 12 11.146 1.456 -13.157 1.00 0.00 H new ATOM 161 N GLY A 13 9.142 0.388 -9.302 1.00 0.00 N ATOM 162 CA GLY A 13 8.807 -0.597 -8.296 1.00 0.00 C ATOM 163 C GLY A 13 10.025 -1.300 -7.740 1.00 0.00 C ATOM 164 O GLY A 13 10.684 -0.782 -6.839 1.00 0.00 O ATOM 0 H GLY A 13 10.132 0.628 -9.357 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.270 -0.111 -7.482 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.131 -1.336 -8.727 1.00 0.00 H new ATOM 168 N ALA A 14 10.290 -2.500 -8.249 1.00 0.00 N ATOM 169 CA ALA A 14 11.402 -3.332 -7.789 1.00 0.00 C ATOM 170 C ALA A 14 11.242 -3.717 -6.315 1.00 0.00 C ATOM 171 O ALA A 14 10.617 -4.729 -6.000 1.00 0.00 O ATOM 172 CB ALA A 14 12.738 -2.641 -8.031 1.00 0.00 C ATOM 0 H ALA A 14 9.739 -2.926 -8.994 1.00 0.00 H new ATOM 0 HA ALA A 14 11.387 -4.252 -8.373 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.547 -3.281 -7.680 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.862 -2.451 -9.097 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.762 -1.696 -7.489 1.00 0.00 H new ATOM 178 N ASP A 15 11.772 -2.895 -5.410 1.00 0.00 N ATOM 179 CA ASP A 15 11.651 -3.147 -3.970 1.00 0.00 C ATOM 180 C ASP A 15 10.254 -2.797 -3.475 1.00 0.00 C ATOM 181 O ASP A 15 9.839 -3.203 -2.389 1.00 0.00 O ATOM 182 CB ASP A 15 12.688 -2.338 -3.190 1.00 0.00 C ATOM 183 CG ASP A 15 13.179 -3.068 -1.957 1.00 0.00 C ATOM 184 OD1 ASP A 15 13.406 -4.295 -2.039 1.00 0.00 O ATOM 185 OD2 ASP A 15 13.357 -2.422 -0.900 1.00 0.00 O ATOM 0 H ASP A 15 12.290 -2.048 -5.646 1.00 0.00 H new ATOM 0 HA ASP A 15 11.830 -4.209 -3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.535 -2.116 -3.839 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.253 -1.383 -2.895 1.00 0.00 H new ATOM 190 N ILE A 16 9.536 -2.032 -4.285 1.00 0.00 N ATOM 191 CA ILE A 16 8.185 -1.607 -3.948 1.00 0.00 C ATOM 192 C ILE A 16 7.214 -2.787 -3.974 1.00 0.00 C ATOM 193 O ILE A 16 6.184 -2.762 -3.307 1.00 0.00 O ATOM 194 CB ILE A 16 7.685 -0.501 -4.914 1.00 0.00 C ATOM 195 CG1 ILE A 16 8.654 0.686 -4.913 1.00 0.00 C ATOM 196 CG2 ILE A 16 6.281 -0.034 -4.541 1.00 0.00 C ATOM 197 CD1 ILE A 16 8.856 1.308 -3.548 1.00 0.00 C ATOM 0 H ILE A 16 9.870 -1.691 -5.187 1.00 0.00 H new ATOM 0 HA ILE A 16 8.219 -1.200 -2.937 1.00 0.00 H new ATOM 0 HB ILE A 16 7.645 -0.926 -5.917 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.619 0.356 -5.298 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.281 1.448 -5.598 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.959 0.741 -5.236 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.592 -0.877 -4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.288 0.368 -3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.554 2.141 -3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.901 1.670 -3.168 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.259 0.561 -2.864 1.00 0.00 H new ATOM 209 N ASN A 17 7.534 -3.808 -4.766 1.00 0.00 N ATOM 210 CA ASN A 17 6.659 -4.974 -4.902 1.00 0.00 C ATOM 211 C ASN A 17 6.395 -5.643 -3.553 1.00 0.00 C ATOM 212 O ASN A 17 5.248 -5.941 -3.214 1.00 0.00 O ATOM 213 CB ASN A 17 7.274 -5.989 -5.869 1.00 0.00 C ATOM 214 CG ASN A 17 6.361 -7.177 -6.113 1.00 0.00 C ATOM 215 OD1 ASN A 17 5.276 -7.034 -6.678 1.00 0.00 O ATOM 216 ND2 ASN A 17 6.792 -8.360 -5.693 1.00 0.00 N ATOM 0 H ASN A 17 8.388 -3.853 -5.322 1.00 0.00 H new ATOM 0 HA ASN A 17 5.706 -4.623 -5.298 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.490 -5.499 -6.818 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.225 -6.340 -5.468 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.218 -9.191 -5.834 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.697 -8.438 -5.229 1.00 0.00 H new ATOM 223 N ASN A 18 7.456 -5.857 -2.785 1.00 0.00 N ATOM 224 CA ASN A 18 7.343 -6.479 -1.469 1.00 0.00 C ATOM 225 C ASN A 18 6.556 -5.589 -0.519 1.00 0.00 C ATOM 226 O ASN A 18 5.664 -6.055 0.193 1.00 0.00 O ATOM 227 CB ASN A 18 8.730 -6.757 -0.887 1.00 0.00 C ATOM 228 CG ASN A 18 8.680 -7.647 0.337 1.00 0.00 C ATOM 229 OD1 ASN A 18 8.529 -7.172 1.465 1.00 0.00 O ATOM 230 ND2 ASN A 18 8.797 -8.948 0.123 1.00 0.00 N ATOM 0 H ASN A 18 8.409 -5.608 -3.051 1.00 0.00 H new ATOM 0 HA ASN A 18 6.812 -7.423 -1.587 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.352 -7.227 -1.649 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.206 -5.812 -0.625 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.764 -9.599 0.908 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.921 -9.300 -0.826 1.00 0.00 H new ATOM 237 N TYR A 19 6.873 -4.301 -0.533 1.00 0.00 N ATOM 238 CA TYR A 19 6.182 -3.333 0.307 1.00 0.00 C ATOM 239 C TYR A 19 4.704 -3.264 -0.055 1.00 0.00 C ATOM 240 O TYR A 19 3.843 -3.276 0.820 1.00 0.00 O ATOM 241 CB TYR A 19 6.817 -1.949 0.168 1.00 0.00 C ATOM 242 CG TYR A 19 7.102 -1.284 1.494 1.00 0.00 C ATOM 243 CD1 TYR A 19 7.916 -1.897 2.436 1.00 0.00 C ATOM 244 CD2 TYR A 19 6.564 -0.041 1.801 1.00 0.00 C ATOM 245 CE1 TYR A 19 8.184 -1.294 3.647 1.00 0.00 C ATOM 246 CE2 TYR A 19 6.832 0.574 3.010 1.00 0.00 C ATOM 247 CZ TYR A 19 7.643 -0.059 3.928 1.00 0.00 C ATOM 248 OH TYR A 19 7.922 0.547 5.132 1.00 0.00 O ATOM 0 H TYR A 19 7.606 -3.902 -1.119 1.00 0.00 H new ATOM 0 HA TYR A 19 6.274 -3.660 1.343 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.748 -2.039 -0.392 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.154 -1.310 -0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.347 -2.863 2.217 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.926 0.453 1.084 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.815 -1.788 4.371 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.409 1.542 3.234 1.00 0.00 H new ATOM 0 HH TYR A 19 7.173 1.125 5.389 1.00 0.00 H new ATOM 258 N ALA A 20 4.419 -3.228 -1.350 1.00 0.00 N ATOM 259 CA ALA A 20 3.048 -3.196 -1.836 1.00 0.00 C ATOM 260 C ALA A 20 2.284 -4.426 -1.377 1.00 0.00 C ATOM 261 O ALA A 20 1.146 -4.327 -0.915 1.00 0.00 O ATOM 262 CB ALA A 20 3.028 -3.100 -3.352 1.00 0.00 C ATOM 0 H ALA A 20 5.125 -3.220 -2.086 1.00 0.00 H new ATOM 0 HA ALA A 20 2.559 -2.314 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.996 -3.077 -3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.538 -2.189 -3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.536 -3.965 -3.778 1.00 0.00 H new ATOM 268 N GLY A 21 2.929 -5.581 -1.473 1.00 0.00 N ATOM 269 CA GLY A 21 2.313 -6.813 -1.032 1.00 0.00 C ATOM 270 C GLY A 21 2.036 -6.807 0.457 1.00 0.00 C ATOM 271 O GLY A 21 0.962 -7.223 0.895 1.00 0.00 O ATOM 0 H GLY A 21 3.871 -5.685 -1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.380 -6.966 -1.574 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.965 -7.652 -1.276 1.00 0.00 H new ATOM 275 N GLN A 22 3.005 -6.338 1.233 1.00 0.00 N ATOM 276 CA GLN A 22 2.871 -6.286 2.682 1.00 0.00 C ATOM 277 C GLN A 22 1.792 -5.281 3.099 1.00 0.00 C ATOM 278 O GLN A 22 1.016 -5.542 4.018 1.00 0.00 O ATOM 279 CB GLN A 22 4.231 -5.965 3.328 1.00 0.00 C ATOM 280 CG GLN A 22 4.398 -4.530 3.806 1.00 0.00 C ATOM 281 CD GLN A 22 4.928 -4.452 5.223 1.00 0.00 C ATOM 282 OE1 GLN A 22 4.180 -4.191 6.164 1.00 0.00 O ATOM 283 NE2 GLN A 22 6.224 -4.679 5.388 1.00 0.00 N ATOM 0 H GLN A 22 3.896 -5.987 0.881 1.00 0.00 H new ATOM 0 HA GLN A 22 2.551 -7.264 3.040 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.379 -6.633 4.176 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.019 -6.185 2.607 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.079 -4.004 3.137 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.438 -4.017 3.751 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.811 -4.892 4.582 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.634 -4.640 6.321 1.00 0.00 H new ATOM 292 N ILE A 23 1.720 -4.152 2.395 1.00 0.00 N ATOM 293 CA ILE A 23 0.711 -3.132 2.674 1.00 0.00 C ATOM 294 C ILE A 23 -0.687 -3.667 2.382 1.00 0.00 C ATOM 295 O ILE A 23 -1.595 -3.542 3.203 1.00 0.00 O ATOM 296 CB ILE A 23 0.952 -1.849 1.841 1.00 0.00 C ATOM 297 CG1 ILE A 23 2.186 -1.103 2.351 1.00 0.00 C ATOM 298 CG2 ILE A 23 -0.267 -0.933 1.879 1.00 0.00 C ATOM 299 CD1 ILE A 23 2.731 -0.093 1.364 1.00 0.00 C ATOM 0 H ILE A 23 2.349 -3.921 1.626 1.00 0.00 H new ATOM 0 HA ILE A 23 0.792 -2.879 3.731 1.00 0.00 H new ATOM 0 HB ILE A 23 1.123 -2.149 0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.934 -0.592 3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.966 -1.826 2.587 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.070 -0.040 1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.130 -1.458 1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.474 -0.645 2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.605 0.398 1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.015 -0.601 0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.966 0.652 1.146 1.00 0.00 H new ATOM 311 N LYS A 24 -0.849 -4.272 1.209 1.00 0.00 N ATOM 312 CA LYS A 24 -2.134 -4.831 0.805 1.00 0.00 C ATOM 313 C LYS A 24 -2.559 -5.967 1.737 1.00 0.00 C ATOM 314 O LYS A 24 -3.749 -6.212 1.928 1.00 0.00 O ATOM 315 CB LYS A 24 -2.068 -5.324 -0.644 1.00 0.00 C ATOM 316 CG LYS A 24 -2.047 -4.194 -1.663 1.00 0.00 C ATOM 317 CD LYS A 24 -1.975 -4.720 -3.090 1.00 0.00 C ATOM 318 CE LYS A 24 -0.580 -4.559 -3.678 1.00 0.00 C ATOM 319 NZ LYS A 24 -0.563 -3.642 -4.851 1.00 0.00 N ATOM 0 H LYS A 24 -0.105 -4.388 0.521 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.883 -4.042 0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.175 -5.936 -0.772 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.926 -5.966 -0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.942 -3.582 -1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.191 -3.547 -1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.257 -5.773 -3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.696 -4.188 -3.711 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.093 -4.176 -2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.200 -5.536 -3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.105 -2.865 -4.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.266 -4.167 -5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.516 -3.253 -5.001 1.00 0.00 H new ATOM 333 N SER A 25 -1.583 -6.602 2.377 1.00 0.00 N ATOM 334 CA SER A 25 -1.864 -7.642 3.358 1.00 0.00 C ATOM 335 C SER A 25 -2.277 -7.020 4.692 1.00 0.00 C ATOM 336 O SER A 25 -3.266 -7.434 5.293 1.00 0.00 O ATOM 337 CB SER A 25 -0.642 -8.542 3.546 1.00 0.00 C ATOM 338 OG SER A 25 -0.237 -9.109 2.309 1.00 0.00 O ATOM 0 H SER A 25 -0.591 -6.414 2.234 1.00 0.00 H new ATOM 0 HA SER A 25 -2.690 -8.251 2.989 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.178 -7.964 3.972 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.875 -9.336 4.256 1.00 0.00 H new ATOM 0 HG SER A 25 0.358 -8.485 1.843 1.00 0.00 H new ATOM 344 N ALA A 26 -1.531 -5.999 5.124 1.00 0.00 N ATOM 345 CA ALA A 26 -1.825 -5.282 6.367 1.00 0.00 C ATOM 346 C ALA A 26 -3.245 -4.738 6.356 1.00 0.00 C ATOM 347 O ALA A 26 -3.955 -4.787 7.360 1.00 0.00 O ATOM 348 CB ALA A 26 -0.841 -4.136 6.561 1.00 0.00 C ATOM 0 H ALA A 26 -0.713 -5.649 4.626 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.726 -5.986 7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.071 -3.612 7.489 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.173 -4.532 6.610 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.920 -3.443 5.723 1.00 0.00 H new ATOM 354 N ILE A 27 -3.644 -4.223 5.207 1.00 0.00 N ATOM 355 CA ILE A 27 -4.971 -3.661 5.025 1.00 0.00 C ATOM 356 C ILE A 27 -6.054 -4.724 5.244 1.00 0.00 C ATOM 357 O ILE A 27 -7.027 -4.497 5.967 1.00 0.00 O ATOM 358 CB ILE A 27 -5.091 -3.045 3.615 1.00 0.00 C ATOM 359 CG1 ILE A 27 -4.231 -1.776 3.537 1.00 0.00 C ATOM 360 CG2 ILE A 27 -6.544 -2.756 3.264 1.00 0.00 C ATOM 361 CD1 ILE A 27 -4.561 -0.866 2.370 1.00 0.00 C ATOM 0 H ILE A 27 -3.058 -4.182 4.373 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.120 -2.877 5.768 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.724 -3.762 2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.348 -1.215 4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.182 -2.066 3.471 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.598 -2.323 2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.116 -3.684 3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.960 -2.054 3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.906 0.005 2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.415 -1.406 1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.599 -0.542 2.444 1.00 0.00 H new ATOM 373 N GLU A 28 -5.860 -5.895 4.651 1.00 0.00 N ATOM 374 CA GLU A 28 -6.802 -6.997 4.809 1.00 0.00 C ATOM 375 C GLU A 28 -6.769 -7.563 6.226 1.00 0.00 C ATOM 376 O GLU A 28 -7.740 -8.159 6.682 1.00 0.00 O ATOM 377 CB GLU A 28 -6.514 -8.103 3.798 1.00 0.00 C ATOM 378 CG GLU A 28 -7.764 -8.846 3.357 1.00 0.00 C ATOM 379 CD GLU A 28 -7.742 -10.309 3.742 1.00 0.00 C ATOM 380 OE1 GLU A 28 -7.113 -11.102 3.013 1.00 0.00 O ATOM 381 OE2 GLU A 28 -8.359 -10.671 4.762 1.00 0.00 O ATOM 0 H GLU A 28 -5.059 -6.107 4.056 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.801 -6.600 4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.028 -7.670 2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.811 -8.813 4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.639 -8.371 3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.869 -8.761 2.275 1.00 0.00 H new ATOM 388 N SER A 29 -5.676 -7.327 6.944 1.00 0.00 N ATOM 389 CA SER A 29 -5.572 -7.775 8.330 1.00 0.00 C ATOM 390 C SER A 29 -6.534 -6.990 9.225 1.00 0.00 C ATOM 391 O SER A 29 -6.815 -7.391 10.357 1.00 0.00 O ATOM 392 CB SER A 29 -4.138 -7.625 8.837 1.00 0.00 C ATOM 393 OG SER A 29 -3.205 -8.078 7.870 1.00 0.00 O ATOM 0 H SER A 29 -4.855 -6.832 6.594 1.00 0.00 H new ATOM 0 HA SER A 29 -5.846 -8.829 8.367 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.941 -6.580 9.076 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.014 -8.192 9.760 1.00 0.00 H new ATOM 0 HG SER A 29 -3.216 -7.476 7.097 1.00 0.00 H new ATOM 399 N LYS A 30 -7.094 -5.915 8.679 1.00 0.00 N ATOM 400 CA LYS A 30 -8.091 -5.124 9.384 1.00 0.00 C ATOM 401 C LYS A 30 -9.484 -5.434 8.841 1.00 0.00 C ATOM 402 O LYS A 30 -10.411 -5.717 9.601 1.00 0.00 O ATOM 403 CB LYS A 30 -7.782 -3.631 9.243 1.00 0.00 C ATOM 404 CG LYS A 30 -7.271 -2.995 10.526 1.00 0.00 C ATOM 405 CD LYS A 30 -5.858 -3.456 10.858 1.00 0.00 C ATOM 406 CE LYS A 30 -5.476 -3.097 12.286 1.00 0.00 C ATOM 407 NZ LYS A 30 -6.156 -3.973 13.279 1.00 0.00 N ATOM 0 H LYS A 30 -6.871 -5.572 7.745 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.062 -5.383 10.442 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.039 -3.494 8.458 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.684 -3.110 8.922 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.286 -1.910 10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.939 -3.248 11.349 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.784 -4.535 10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.152 -2.998 10.165 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.396 -3.183 12.405 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.737 -2.057 12.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.735 -3.825 14.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.169 -3.738 13.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.041 -4.968 13.000 1.00 0.00 H new ATOM 421 N PHE A 31 -9.609 -5.446 7.520 1.00 0.00 N ATOM 422 CA PHE A 31 -10.871 -5.794 6.878 1.00 0.00 C ATOM 423 C PHE A 31 -10.792 -7.199 6.291 1.00 0.00 C ATOM 424 O PHE A 31 -10.686 -7.374 5.073 1.00 0.00 O ATOM 425 CB PHE A 31 -11.226 -4.771 5.792 1.00 0.00 C ATOM 426 CG PHE A 31 -12.074 -3.632 6.293 1.00 0.00 C ATOM 427 CD1 PHE A 31 -11.653 -2.855 7.361 1.00 0.00 C ATOM 428 CD2 PHE A 31 -13.291 -3.341 5.699 1.00 0.00 C ATOM 429 CE1 PHE A 31 -12.428 -1.811 7.826 1.00 0.00 C ATOM 430 CE2 PHE A 31 -14.071 -2.297 6.160 1.00 0.00 C ATOM 431 CZ PHE A 31 -13.638 -1.532 7.226 1.00 0.00 C ATOM 0 H PHE A 31 -8.854 -5.219 6.873 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.660 -5.776 7.629 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.306 -4.369 5.368 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.754 -5.279 4.985 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -10.707 -3.069 7.835 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -13.634 -3.937 4.866 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -12.087 -1.214 8.659 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -15.018 -2.080 5.688 1.00 0.00 H new ATOM 0 HZ PHE A 31 -14.246 -0.717 7.589 1.00 0.00 H new ATOM 441 N TYR A 32 -10.747 -8.186 7.180 1.00 0.00 N ATOM 442 CA TYR A 32 -10.563 -9.586 6.797 1.00 0.00 C ATOM 443 C TYR A 32 -11.608 -10.040 5.785 1.00 0.00 C ATOM 444 O TYR A 32 -12.807 -10.058 6.072 1.00 0.00 O ATOM 445 CB TYR A 32 -10.602 -10.497 8.028 1.00 0.00 C ATOM 446 CG TYR A 32 -11.516 -10.012 9.134 1.00 0.00 C ATOM 447 CD1 TYR A 32 -11.061 -9.115 10.094 1.00 0.00 C ATOM 448 CD2 TYR A 32 -12.831 -10.451 9.217 1.00 0.00 C ATOM 449 CE1 TYR A 32 -11.893 -8.667 11.101 1.00 0.00 C ATOM 450 CE2 TYR A 32 -13.667 -10.008 10.222 1.00 0.00 C ATOM 451 CZ TYR A 32 -13.194 -9.117 11.161 1.00 0.00 C ATOM 452 OH TYR A 32 -14.027 -8.666 12.159 1.00 0.00 O ATOM 0 H TYR A 32 -10.837 -8.041 8.186 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.582 -9.661 6.327 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -10.922 -11.492 7.719 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -9.592 -10.595 8.425 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.041 -8.763 10.051 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -13.205 -11.150 8.484 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.526 -7.968 11.838 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -14.687 -10.358 10.272 1.00 0.00 H new ATOM 0 HH TYR A 32 -14.910 -9.078 12.059 1.00 0.00 H new ATOM 462 N ASP A 33 -11.123 -10.404 4.599 1.00 0.00 N ATOM 463 CA ASP A 33 -11.954 -10.883 3.478 1.00 0.00 C ATOM 464 C ASP A 33 -12.911 -9.825 2.963 1.00 0.00 C ATOM 465 O ASP A 33 -13.581 -10.003 1.945 1.00 0.00 O ATOM 466 CB ASP A 33 -12.724 -12.152 3.854 1.00 0.00 C ATOM 467 CG ASP A 33 -12.939 -13.086 2.678 1.00 0.00 C ATOM 468 OD1 ASP A 33 -12.113 -13.079 1.743 1.00 0.00 O ATOM 469 OD2 ASP A 33 -13.928 -13.852 2.697 1.00 0.00 O ATOM 0 H ASP A 33 -10.127 -10.377 4.379 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.261 -11.118 2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.181 -12.681 4.637 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.692 -11.873 4.271 1.00 0.00 H new ATOM 474 N ALA A 34 -12.868 -8.688 3.597 1.00 0.00 N ATOM 475 CA ALA A 34 -13.611 -7.523 3.153 1.00 0.00 C ATOM 476 C ALA A 34 -12.854 -6.813 2.043 1.00 0.00 C ATOM 477 O ALA A 34 -13.418 -6.495 0.996 1.00 0.00 O ATOM 478 CB ALA A 34 -13.890 -6.585 4.313 1.00 0.00 C ATOM 0 H ALA A 34 -12.317 -8.533 4.441 1.00 0.00 H new ATOM 0 HA ALA A 34 -14.572 -7.852 2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.448 -5.720 3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -14.476 -7.107 5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.947 -6.254 4.748 1.00 0.00 H new ATOM 484 N SER A 35 -11.561 -6.596 2.275 1.00 0.00 N ATOM 485 CA SER A 35 -10.705 -5.956 1.286 1.00 0.00 C ATOM 486 C SER A 35 -10.319 -6.950 0.190 1.00 0.00 C ATOM 487 O SER A 35 -9.898 -6.563 -0.900 1.00 0.00 O ATOM 488 CB SER A 35 -9.439 -5.404 1.944 1.00 0.00 C ATOM 489 OG SER A 35 -9.697 -4.973 3.268 1.00 0.00 O ATOM 0 H SER A 35 -11.086 -6.855 3.140 1.00 0.00 H new ATOM 0 HA SER A 35 -11.262 -5.131 0.842 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.666 -6.172 1.953 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.054 -4.571 1.356 1.00 0.00 H new ATOM 0 HG SER A 35 -10.010 -4.044 3.255 1.00 0.00 H new ATOM 495 N SER A 36 -10.386 -8.234 0.522 1.00 0.00 N ATOM 496 CA SER A 36 -9.962 -9.287 -0.390 1.00 0.00 C ATOM 497 C SER A 36 -11.094 -9.706 -1.327 1.00 0.00 C ATOM 498 O SER A 36 -11.767 -10.712 -1.100 1.00 0.00 O ATOM 499 CB SER A 36 -9.451 -10.493 0.403 1.00 0.00 C ATOM 500 OG SER A 36 -8.040 -10.438 0.554 1.00 0.00 O ATOM 0 H SER A 36 -10.732 -8.571 1.421 1.00 0.00 H new ATOM 0 HA SER A 36 -9.153 -8.894 -1.006 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.925 -10.516 1.384 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.731 -11.414 -0.108 1.00 0.00 H new ATOM 0 HG SER A 36 -7.787 -10.840 1.411 1.00 0.00 H new ATOM 506 N TYR A 37 -11.241 -8.973 -2.420 1.00 0.00 N ATOM 507 CA TYR A 37 -12.222 -9.313 -3.441 1.00 0.00 C ATOM 508 C TYR A 37 -11.557 -10.109 -4.561 1.00 0.00 C ATOM 509 O TYR A 37 -10.625 -10.874 -4.308 1.00 0.00 O ATOM 510 CB TYR A 37 -12.865 -8.041 -4.001 1.00 0.00 C ATOM 511 CG TYR A 37 -14.218 -7.728 -3.404 1.00 0.00 C ATOM 512 CD1 TYR A 37 -15.209 -8.700 -3.321 1.00 0.00 C ATOM 513 CD2 TYR A 37 -14.506 -6.458 -2.923 1.00 0.00 C ATOM 514 CE1 TYR A 37 -16.446 -8.414 -2.776 1.00 0.00 C ATOM 515 CE2 TYR A 37 -15.739 -6.164 -2.377 1.00 0.00 C ATOM 516 CZ TYR A 37 -16.706 -7.144 -2.305 1.00 0.00 C ATOM 517 OH TYR A 37 -17.937 -6.851 -1.760 1.00 0.00 O ATOM 0 H TYR A 37 -10.693 -8.137 -2.624 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.002 -9.927 -2.991 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -12.196 -7.199 -3.824 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -12.970 -8.143 -5.081 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.008 -9.695 -3.689 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -13.752 -5.687 -2.977 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -17.205 -9.180 -2.719 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -15.945 -5.170 -2.008 1.00 0.00 H new ATOM 0 HH TYR A 37 -17.954 -5.913 -1.476 1.00 0.00 H new ATOM 527 N ALA A 38 -11.992 -9.889 -5.796 1.00 0.00 N ATOM 528 CA ALA A 38 -11.390 -10.543 -6.949 1.00 0.00 C ATOM 529 C ALA A 38 -11.751 -9.807 -8.229 1.00 0.00 C ATOM 530 O ALA A 38 -12.872 -9.323 -8.372 1.00 0.00 O ATOM 531 CB ALA A 38 -11.829 -11.996 -7.041 1.00 0.00 C ATOM 0 H ALA A 38 -12.762 -9.260 -6.024 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.308 -10.518 -6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.365 -12.462 -7.911 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.523 -12.526 -6.139 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.914 -12.043 -7.139 1.00 0.00 H new ATOM 537 N GLY A 39 -10.805 -9.761 -9.165 1.00 0.00 N ATOM 538 CA GLY A 39 -11.043 -9.124 -10.449 1.00 0.00 C ATOM 539 C GLY A 39 -11.442 -7.666 -10.325 1.00 0.00 C ATOM 540 O GLY A 39 -12.390 -7.221 -10.969 1.00 0.00 O ATOM 0 H GLY A 39 -9.871 -10.157 -9.055 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.141 -9.197 -11.057 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.828 -9.666 -10.977 1.00 0.00 H new ATOM 544 N LYS A 40 -10.716 -6.925 -9.503 1.00 0.00 N ATOM 545 CA LYS A 40 -10.991 -5.511 -9.303 1.00 0.00 C ATOM 546 C LYS A 40 -9.702 -4.758 -9.012 1.00 0.00 C ATOM 547 O LYS A 40 -8.853 -5.240 -8.263 1.00 0.00 O ATOM 548 CB LYS A 40 -11.982 -5.320 -8.154 1.00 0.00 C ATOM 549 CG LYS A 40 -13.414 -5.169 -8.622 1.00 0.00 C ATOM 550 CD LYS A 40 -14.350 -6.108 -7.882 1.00 0.00 C ATOM 551 CE LYS A 40 -15.513 -6.533 -8.762 1.00 0.00 C ATOM 552 NZ LYS A 40 -16.518 -5.446 -8.924 1.00 0.00 N ATOM 0 H LYS A 40 -9.928 -7.281 -8.961 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.432 -5.111 -10.216 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.915 -6.173 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -11.699 -4.437 -7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.739 -4.139 -8.472 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.470 -5.369 -9.692 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -13.799 -6.989 -7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.729 -5.616 -6.986 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.137 -6.828 -9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.994 -7.410 -8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.809 -5.388 -9.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.349 -5.650 -8.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.099 -4.540 -8.632 1.00 0.00 H new ATOM 566 N THR A 41 -9.549 -3.594 -9.623 1.00 0.00 N ATOM 567 CA THR A 41 -8.351 -2.788 -9.446 1.00 0.00 C ATOM 568 C THR A 41 -8.702 -1.412 -8.886 1.00 0.00 C ATOM 569 O THR A 41 -9.297 -0.587 -9.576 1.00 0.00 O ATOM 570 CB THR A 41 -7.605 -2.619 -10.783 1.00 0.00 C ATOM 571 OG1 THR A 41 -7.738 -3.812 -11.572 1.00 0.00 O ATOM 572 CG2 THR A 41 -6.134 -2.318 -10.549 1.00 0.00 C ATOM 0 H THR A 41 -10.243 -3.185 -10.249 1.00 0.00 H new ATOM 0 HA THR A 41 -7.704 -3.307 -8.739 1.00 0.00 H new ATOM 0 HB THR A 41 -8.048 -1.779 -11.318 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.263 -3.697 -12.421 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.629 -2.203 -11.508 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.038 -1.396 -9.976 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.678 -3.139 -9.995 1.00 0.00 H new ATOM 580 N CYS A 42 -8.377 -1.185 -7.621 1.00 0.00 N ATOM 581 CA CYS A 42 -8.706 0.070 -6.965 1.00 0.00 C ATOM 582 C CYS A 42 -7.473 0.946 -6.813 1.00 0.00 C ATOM 583 O CYS A 42 -6.570 0.638 -6.039 1.00 0.00 O ATOM 584 CB CYS A 42 -9.330 -0.198 -5.594 1.00 0.00 C ATOM 585 SG CYS A 42 -11.095 0.227 -5.500 1.00 0.00 S ATOM 0 H CYS A 42 -7.885 -1.855 -7.029 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.427 0.599 -7.589 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.205 -1.252 -5.348 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.787 0.372 -4.840 1.00 0.00 H new ATOM 590 N THR A 43 -7.474 2.076 -7.493 1.00 0.00 N ATOM 591 CA THR A 43 -6.394 3.035 -7.365 1.00 0.00 C ATOM 592 C THR A 43 -6.664 3.978 -6.200 1.00 0.00 C ATOM 593 O THR A 43 -7.397 4.961 -6.339 1.00 0.00 O ATOM 594 CB THR A 43 -6.221 3.854 -8.656 1.00 0.00 C ATOM 595 OG1 THR A 43 -6.208 2.976 -9.791 1.00 0.00 O ATOM 596 CG2 THR A 43 -4.938 4.669 -8.614 1.00 0.00 C ATOM 0 H THR A 43 -8.212 2.353 -8.141 1.00 0.00 H new ATOM 0 HA THR A 43 -5.475 2.479 -7.181 1.00 0.00 H new ATOM 0 HB THR A 43 -7.061 4.544 -8.742 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.099 3.502 -10.611 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.839 5.239 -9.538 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.970 5.354 -7.767 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.085 3.999 -8.508 1.00 0.00 H new ATOM 604 N LEU A 44 -6.044 3.701 -5.065 1.00 0.00 N ATOM 605 CA LEU A 44 -6.185 4.557 -3.903 1.00 0.00 C ATOM 606 C LEU A 44 -5.177 5.687 -3.992 1.00 0.00 C ATOM 607 O LEU A 44 -3.974 5.461 -3.862 1.00 0.00 O ATOM 608 CB LEU A 44 -5.966 3.769 -2.608 1.00 0.00 C ATOM 609 CG LEU A 44 -6.848 2.534 -2.427 1.00 0.00 C ATOM 610 CD1 LEU A 44 -6.470 1.798 -1.150 1.00 0.00 C ATOM 611 CD2 LEU A 44 -8.320 2.924 -2.404 1.00 0.00 C ATOM 0 H LEU A 44 -5.440 2.891 -4.925 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.198 4.960 -3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.922 3.457 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.132 4.439 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.686 1.866 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.106 0.921 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.427 1.485 -1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.605 2.460 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.931 2.031 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.502 3.611 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.582 3.410 -3.344 1.00 0.00 H new ATOM 623 N ARG A 45 -5.667 6.902 -4.160 1.00 0.00 N ATOM 624 CA ARG A 45 -4.801 8.059 -4.199 1.00 0.00 C ATOM 625 C ARG A 45 -4.329 8.365 -2.782 1.00 0.00 C ATOM 626 O ARG A 45 -5.134 8.600 -1.880 1.00 0.00 O ATOM 627 CB ARG A 45 -5.524 9.250 -4.857 1.00 0.00 C ATOM 628 CG ARG A 45 -5.741 10.459 -3.960 1.00 0.00 C ATOM 629 CD ARG A 45 -4.736 11.556 -4.258 1.00 0.00 C ATOM 630 NE ARG A 45 -5.256 12.877 -3.923 1.00 0.00 N ATOM 631 CZ ARG A 45 -5.637 13.773 -4.829 1.00 0.00 C ATOM 632 NH1 ARG A 45 -5.579 13.475 -6.122 1.00 0.00 N ATOM 633 NH2 ARG A 45 -6.103 14.954 -4.438 1.00 0.00 N ATOM 0 H ARG A 45 -6.659 7.110 -4.271 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.922 7.858 -4.812 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.951 9.564 -5.729 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.494 8.909 -5.219 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.752 10.842 -4.100 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.656 10.159 -2.916 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.821 11.373 -3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.471 11.528 -5.315 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.332 13.128 -2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.242 12.559 -6.420 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.871 14.162 -6.817 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.168 15.173 -3.444 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.395 15.642 -5.132 1.00 0.00 H new ATOM 647 N ILE A 46 -3.042 8.180 -2.560 1.00 0.00 N ATOM 648 CA ILE A 46 -2.492 8.263 -1.223 1.00 0.00 C ATOM 649 C ILE A 46 -1.253 9.139 -1.203 1.00 0.00 C ATOM 650 O ILE A 46 -0.261 8.853 -1.872 1.00 0.00 O ATOM 651 CB ILE A 46 -2.137 6.864 -0.658 1.00 0.00 C ATOM 652 CG1 ILE A 46 -1.402 6.022 -1.703 1.00 0.00 C ATOM 653 CG2 ILE A 46 -3.394 6.140 -0.199 1.00 0.00 C ATOM 654 CD1 ILE A 46 -0.256 5.211 -1.138 1.00 0.00 C ATOM 0 H ILE A 46 -2.359 7.971 -3.288 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.262 8.706 -0.592 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.477 7.006 0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.114 5.346 -2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.019 6.681 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.126 5.160 0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.885 6.722 0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.073 6.019 -1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.216 4.641 -1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.477 5.881 -0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.634 4.526 -0.379 1.00 0.00 H new ATOM 666 N LYS A 47 -1.289 10.162 -0.378 1.00 0.00 N ATOM 667 CA LYS A 47 -0.139 11.018 -0.195 1.00 0.00 C ATOM 668 C LYS A 47 0.538 10.656 1.120 1.00 0.00 C ATOM 669 O LYS A 47 0.050 11.017 2.196 1.00 0.00 O ATOM 670 CB LYS A 47 -0.553 12.490 -0.192 1.00 0.00 C ATOM 671 CG LYS A 47 -1.205 12.941 -1.489 1.00 0.00 C ATOM 672 CD LYS A 47 -0.918 14.404 -1.779 1.00 0.00 C ATOM 673 CE LYS A 47 -1.855 15.327 -1.012 1.00 0.00 C ATOM 674 NZ LYS A 47 -3.144 15.536 -1.726 1.00 0.00 N ATOM 0 H LYS A 47 -2.104 10.421 0.178 1.00 0.00 H new ATOM 0 HA LYS A 47 0.556 10.870 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.245 12.662 0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.326 13.106 -0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.840 12.328 -2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.282 12.786 -1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.114 14.632 -1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.020 14.589 -2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.051 14.905 -0.026 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.367 16.289 -0.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.751 16.170 -1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.960 15.962 -2.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.623 14.622 -1.853 1.00 0.00 H new ATOM 688 N LEU A 48 1.598 9.865 1.043 1.00 0.00 N ATOM 689 CA LEU A 48 2.262 9.378 2.227 1.00 0.00 C ATOM 690 C LEU A 48 3.413 10.294 2.601 1.00 0.00 C ATOM 691 O LEU A 48 4.402 10.399 1.876 1.00 0.00 O ATOM 692 CB LEU A 48 2.761 7.949 1.998 1.00 0.00 C ATOM 693 CG LEU A 48 2.597 7.009 3.188 1.00 0.00 C ATOM 694 CD1 LEU A 48 1.132 6.781 3.495 1.00 0.00 C ATOM 695 CD2 LEU A 48 3.294 5.681 2.934 1.00 0.00 C ATOM 0 H LEU A 48 2.013 9.550 0.166 1.00 0.00 H new ATOM 0 HA LEU A 48 1.551 9.369 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.229 7.527 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.816 7.988 1.728 1.00 0.00 H new ATOM 0 HG LEU A 48 3.064 7.482 4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.039 6.108 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.657 7.733 3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.643 6.338 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.162 5.030 3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.863 5.207 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.358 5.854 2.770 1.00 0.00 H new ATOM 707 N ALA A 49 3.270 10.964 3.734 1.00 0.00 N ATOM 708 CA ALA A 49 4.292 11.876 4.216 1.00 0.00 C ATOM 709 C ALA A 49 5.581 11.120 4.497 1.00 0.00 C ATOM 710 O ALA A 49 5.544 9.938 4.837 1.00 0.00 O ATOM 711 CB ALA A 49 3.810 12.589 5.470 1.00 0.00 C ATOM 0 H ALA A 49 2.452 10.892 4.338 1.00 0.00 H new ATOM 0 HA ALA A 49 4.489 12.622 3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.585 13.270 5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.906 13.154 5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.593 11.854 6.246 1.00 0.00 H new ATOM 717 N PRO A 50 6.741 11.784 4.349 1.00 0.00 N ATOM 718 CA PRO A 50 8.061 11.164 4.572 1.00 0.00 C ATOM 719 C PRO A 50 8.228 10.598 5.987 1.00 0.00 C ATOM 720 O PRO A 50 9.198 9.898 6.280 1.00 0.00 O ATOM 721 CB PRO A 50 9.049 12.313 4.332 1.00 0.00 C ATOM 722 CG PRO A 50 8.238 13.560 4.404 1.00 0.00 C ATOM 723 CD PRO A 50 6.866 13.190 3.929 1.00 0.00 C ATOM 0 HA PRO A 50 8.213 10.308 3.914 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.838 12.315 5.084 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.534 12.216 3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.207 13.947 5.423 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.669 14.342 3.779 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.099 13.817 4.383 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.769 13.299 2.849 1.00 0.00 H new ATOM 731 N ASP A 51 7.250 10.862 6.842 1.00 0.00 N ATOM 732 CA ASP A 51 7.247 10.346 8.203 1.00 0.00 C ATOM 733 C ASP A 51 6.525 9.001 8.270 1.00 0.00 C ATOM 734 O ASP A 51 6.483 8.355 9.320 1.00 0.00 O ATOM 735 CB ASP A 51 6.571 11.348 9.135 1.00 0.00 C ATOM 736 CG ASP A 51 7.445 11.718 10.310 1.00 0.00 C ATOM 737 OD1 ASP A 51 8.687 11.707 10.164 1.00 0.00 O ATOM 738 OD2 ASP A 51 6.897 12.015 11.392 1.00 0.00 O ATOM 0 H ASP A 51 6.440 11.437 6.613 1.00 0.00 H new ATOM 0 HA ASP A 51 8.279 10.198 8.520 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.319 12.248 8.575 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.634 10.927 9.500 1.00 0.00 H new ATOM 743 N GLY A 52 5.966 8.585 7.138 1.00 0.00 N ATOM 744 CA GLY A 52 5.258 7.320 7.064 1.00 0.00 C ATOM 745 C GLY A 52 3.848 7.412 7.605 1.00 0.00 C ATOM 746 O GLY A 52 3.504 6.738 8.577 1.00 0.00 O ATOM 0 H GLY A 52 5.992 9.108 6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.225 6.986 6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.810 6.565 7.624 1.00 0.00 H new ATOM 750 N MET A 53 3.026 8.231 6.963 1.00 0.00 N ATOM 751 CA MET A 53 1.633 8.392 7.365 1.00 0.00 C ATOM 752 C MET A 53 0.820 8.993 6.225 1.00 0.00 C ATOM 753 O MET A 53 1.304 9.870 5.504 1.00 0.00 O ATOM 754 CB MET A 53 1.524 9.273 8.616 1.00 0.00 C ATOM 755 CG MET A 53 2.244 10.606 8.497 1.00 0.00 C ATOM 756 SD MET A 53 1.258 11.982 9.117 1.00 0.00 S ATOM 757 CE MET A 53 2.532 13.209 9.387 1.00 0.00 C ATOM 0 H MET A 53 3.300 8.796 6.159 1.00 0.00 H new ATOM 0 HA MET A 53 1.231 7.407 7.604 1.00 0.00 H new ATOM 0 HB2 MET A 53 0.471 9.458 8.827 1.00 0.00 H new ATOM 0 HB3 MET A 53 1.929 8.728 9.468 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.183 10.559 9.049 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.497 10.786 7.452 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.081 14.123 9.772 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.256 12.830 10.109 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.037 13.423 8.445 1.00 0.00 H new ATOM 767 N LEU A 54 -0.395 8.493 6.038 1.00 0.00 N ATOM 768 CA LEU A 54 -1.251 8.957 4.954 1.00 0.00 C ATOM 769 C LEU A 54 -2.094 10.144 5.395 1.00 0.00 C ATOM 770 O LEU A 54 -3.090 9.984 6.103 1.00 0.00 O ATOM 771 CB LEU A 54 -2.163 7.828 4.448 1.00 0.00 C ATOM 772 CG LEU A 54 -2.490 6.731 5.468 1.00 0.00 C ATOM 773 CD1 LEU A 54 -3.962 6.772 5.849 1.00 0.00 C ATOM 774 CD2 LEU A 54 -2.123 5.362 4.915 1.00 0.00 C ATOM 0 H LEU A 54 -0.809 7.767 6.622 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.602 9.273 4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.098 8.268 4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.690 7.364 3.582 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.898 6.912 6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.172 5.985 6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.197 7.742 6.288 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.573 6.618 4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.362 4.596 5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.688 5.175 4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.056 5.333 4.694 1.00 0.00 H new ATOM 786 N LEU A 55 -1.718 11.330 4.942 1.00 0.00 N ATOM 787 CA LEU A 55 -2.476 12.534 5.258 1.00 0.00 C ATOM 788 C LEU A 55 -3.679 12.650 4.330 1.00 0.00 C ATOM 789 O LEU A 55 -4.764 13.061 4.742 1.00 0.00 O ATOM 790 CB LEU A 55 -1.598 13.784 5.127 1.00 0.00 C ATOM 791 CG LEU A 55 -0.092 13.533 5.161 1.00 0.00 C ATOM 792 CD1 LEU A 55 0.545 13.939 3.842 1.00 0.00 C ATOM 793 CD2 LEU A 55 0.540 14.288 6.320 1.00 0.00 C ATOM 0 H LEU A 55 -0.897 11.486 4.357 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.819 12.460 6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.845 14.284 4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.853 14.472 5.933 1.00 0.00 H new ATOM 0 HG LEU A 55 0.082 12.467 5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.618 13.753 3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.107 13.356 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.367 14.999 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.614 14.101 6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.359 15.356 6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.101 13.949 7.258 1.00 0.00 H new ATOM 805 N ASP A 56 -3.473 12.273 3.078 1.00 0.00 N ATOM 806 CA ASP A 56 -4.526 12.321 2.076 1.00 0.00 C ATOM 807 C ASP A 56 -4.706 10.950 1.440 1.00 0.00 C ATOM 808 O ASP A 56 -3.759 10.383 0.893 1.00 0.00 O ATOM 809 CB ASP A 56 -4.181 13.368 1.012 1.00 0.00 C ATOM 810 CG ASP A 56 -5.070 13.296 -0.216 1.00 0.00 C ATOM 811 OD1 ASP A 56 -6.305 13.278 -0.068 1.00 0.00 O ATOM 812 OD2 ASP A 56 -4.528 13.301 -1.343 1.00 0.00 O ATOM 0 H ASP A 56 -2.579 11.928 2.730 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.464 12.604 2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.262 14.362 1.452 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.143 13.237 0.708 1.00 0.00 H new ATOM 817 N ILE A 57 -5.915 10.419 1.537 1.00 0.00 N ATOM 818 CA ILE A 57 -6.228 9.108 0.989 1.00 0.00 C ATOM 819 C ILE A 57 -7.644 9.108 0.420 1.00 0.00 C ATOM 820 O ILE A 57 -8.623 9.242 1.155 1.00 0.00 O ATOM 821 CB ILE A 57 -6.076 7.984 2.049 1.00 0.00 C ATOM 822 CG1 ILE A 57 -6.708 6.678 1.550 1.00 0.00 C ATOM 823 CG2 ILE A 57 -6.687 8.403 3.381 1.00 0.00 C ATOM 824 CD1 ILE A 57 -6.315 5.463 2.365 1.00 0.00 C ATOM 0 H ILE A 57 -6.702 10.880 1.994 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.514 8.902 0.192 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.011 7.811 2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.793 6.780 1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.418 6.518 0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.567 7.598 4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.184 9.298 3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.748 8.613 3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.799 4.577 1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.233 5.335 2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.629 5.602 3.399 1.00 0.00 H new ATOM 836 N LYS A 58 -7.742 9.031 -0.897 1.00 0.00 N ATOM 837 CA LYS A 58 -9.029 9.095 -1.574 1.00 0.00 C ATOM 838 C LYS A 58 -9.064 8.115 -2.739 1.00 0.00 C ATOM 839 O LYS A 58 -8.067 7.934 -3.435 1.00 0.00 O ATOM 840 CB LYS A 58 -9.290 10.514 -2.088 1.00 0.00 C ATOM 841 CG LYS A 58 -9.838 11.464 -1.035 1.00 0.00 C ATOM 842 CD LYS A 58 -10.022 12.861 -1.600 1.00 0.00 C ATOM 843 CE LYS A 58 -9.511 13.922 -0.640 1.00 0.00 C ATOM 844 NZ LYS A 58 -9.576 15.284 -1.235 1.00 0.00 N ATOM 0 H LYS A 58 -6.943 8.924 -1.522 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.806 8.826 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.360 10.923 -2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.994 10.464 -2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.792 11.090 -0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.158 11.500 -0.184 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.493 12.943 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.078 13.035 -1.807 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.101 13.897 0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.482 13.695 -0.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.219 15.980 -0.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.993 15.315 -2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.562 15.511 -1.476 1.00 0.00 H new ATOM 858 N PRO A 59 -10.216 7.483 -2.990 1.00 0.00 N ATOM 859 CA PRO A 59 -10.366 6.550 -4.102 1.00 0.00 C ATOM 860 C PRO A 59 -10.352 7.279 -5.445 1.00 0.00 C ATOM 861 O PRO A 59 -11.332 7.924 -5.819 1.00 0.00 O ATOM 862 CB PRO A 59 -11.737 5.897 -3.860 1.00 0.00 C ATOM 863 CG PRO A 59 -12.160 6.335 -2.495 1.00 0.00 C ATOM 864 CD PRO A 59 -11.466 7.640 -2.242 1.00 0.00 C ATOM 0 HA PRO A 59 -9.551 5.827 -4.144 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.459 6.212 -4.613 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.669 4.811 -3.919 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.242 6.453 -2.442 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.883 5.594 -1.745 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.050 8.487 -2.601 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.286 7.805 -1.180 1.00 0.00 H new ATOM 872 N GLU A 60 -9.228 7.192 -6.151 1.00 0.00 N ATOM 873 CA GLU A 60 -9.077 7.859 -7.437 1.00 0.00 C ATOM 874 C GLU A 60 -9.949 7.175 -8.486 1.00 0.00 C ATOM 875 O GLU A 60 -10.739 7.822 -9.176 1.00 0.00 O ATOM 876 CB GLU A 60 -7.606 7.847 -7.871 1.00 0.00 C ATOM 877 CG GLU A 60 -7.266 8.861 -8.956 1.00 0.00 C ATOM 878 CD GLU A 60 -7.410 10.296 -8.485 1.00 0.00 C ATOM 879 OE1 GLU A 60 -6.437 10.849 -7.930 1.00 0.00 O ATOM 880 OE2 GLU A 60 -8.497 10.880 -8.681 1.00 0.00 O ATOM 0 H GLU A 60 -8.408 6.665 -5.852 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.399 8.896 -7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.980 8.041 -7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.353 6.849 -8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.243 8.695 -9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.916 8.698 -9.816 1.00 0.00 H new ATOM 887 N GLY A 61 -9.840 5.858 -8.562 1.00 0.00 N ATOM 888 CA GLY A 61 -10.663 5.099 -9.479 1.00 0.00 C ATOM 889 C GLY A 61 -10.485 3.612 -9.294 1.00 0.00 C ATOM 890 O GLY A 61 -9.365 3.141 -9.105 1.00 0.00 O ATOM 0 H GLY A 61 -9.194 5.300 -8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.710 5.361 -9.329 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.410 5.370 -10.504 1.00 0.00 H new ATOM 894 N GLY A 62 -11.580 2.872 -9.328 1.00 0.00 N ATOM 895 CA GLY A 62 -11.505 1.440 -9.145 1.00 0.00 C ATOM 896 C GLY A 62 -12.866 0.812 -8.943 1.00 0.00 C ATOM 897 O GLY A 62 -13.616 0.619 -9.900 1.00 0.00 O ATOM 0 H GLY A 62 -12.520 3.238 -9.479 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.026 0.990 -10.014 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.875 1.219 -8.284 1.00 0.00 H new ATOM 901 N ASP A 63 -13.180 0.486 -7.700 1.00 0.00 N ATOM 902 CA ASP A 63 -14.451 -0.136 -7.361 1.00 0.00 C ATOM 903 C ASP A 63 -14.947 0.394 -6.025 1.00 0.00 C ATOM 904 O ASP A 63 -14.197 0.423 -5.051 1.00 0.00 O ATOM 905 CB ASP A 63 -14.306 -1.657 -7.285 1.00 0.00 C ATOM 906 CG ASP A 63 -15.646 -2.365 -7.333 1.00 0.00 C ATOM 907 OD1 ASP A 63 -16.292 -2.499 -6.273 1.00 0.00 O ATOM 908 OD2 ASP A 63 -16.059 -2.790 -8.436 1.00 0.00 O ATOM 0 H ASP A 63 -12.566 0.644 -6.901 1.00 0.00 H new ATOM 0 HA ASP A 63 -15.172 0.109 -8.141 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.685 -2.002 -8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.789 -1.925 -6.364 1.00 0.00 H new ATOM 913 N PRO A 64 -16.198 0.872 -5.969 1.00 0.00 N ATOM 914 CA PRO A 64 -16.769 1.461 -4.755 1.00 0.00 C ATOM 915 C PRO A 64 -16.700 0.523 -3.549 1.00 0.00 C ATOM 916 O PRO A 64 -16.473 0.964 -2.422 1.00 0.00 O ATOM 917 CB PRO A 64 -18.233 1.744 -5.131 1.00 0.00 C ATOM 918 CG PRO A 64 -18.469 1.007 -6.407 1.00 0.00 C ATOM 919 CD PRO A 64 -17.138 0.929 -7.095 1.00 0.00 C ATOM 0 HA PRO A 64 -16.216 2.350 -4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.912 1.402 -4.350 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -18.406 2.813 -5.258 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -18.867 0.011 -6.214 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -19.199 1.527 -7.028 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -17.062 0.047 -7.732 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -16.958 1.797 -7.730 1.00 0.00 H new ATOM 927 N ALA A 65 -16.899 -0.769 -3.790 1.00 0.00 N ATOM 928 CA ALA A 65 -16.871 -1.757 -2.720 1.00 0.00 C ATOM 929 C ALA A 65 -15.443 -2.076 -2.294 1.00 0.00 C ATOM 930 O ALA A 65 -15.131 -2.095 -1.100 1.00 0.00 O ATOM 931 CB ALA A 65 -17.589 -3.026 -3.151 1.00 0.00 C ATOM 0 H ALA A 65 -17.081 -1.155 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.389 -1.332 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.559 -3.754 -2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.626 -2.793 -3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.097 -3.442 -4.030 1.00 0.00 H new ATOM 937 N LEU A 66 -14.588 -2.352 -3.273 1.00 0.00 N ATOM 938 CA LEU A 66 -13.198 -2.707 -3.002 1.00 0.00 C ATOM 939 C LEU A 66 -12.457 -1.553 -2.335 1.00 0.00 C ATOM 940 O LEU A 66 -11.664 -1.758 -1.415 1.00 0.00 O ATOM 941 CB LEU A 66 -12.484 -3.095 -4.303 1.00 0.00 C ATOM 942 CG LEU A 66 -11.066 -3.648 -4.129 1.00 0.00 C ATOM 943 CD1 LEU A 66 -11.094 -4.991 -3.423 1.00 0.00 C ATOM 944 CD2 LEU A 66 -10.377 -3.779 -5.475 1.00 0.00 C ATOM 0 H LEU A 66 -14.833 -2.337 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.197 -3.559 -2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.087 -3.841 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.438 -2.218 -4.949 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.503 -2.946 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.076 -5.364 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.549 -4.875 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.677 -5.699 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.371 -4.173 -5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.946 -4.458 -6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.319 -2.800 -5.951 1.00 0.00 H new ATOM 956 N CYS A 67 -12.653 -0.354 -2.864 1.00 0.00 N ATOM 957 CA CYS A 67 -11.940 0.818 -2.395 1.00 0.00 C ATOM 958 C CYS A 67 -12.311 1.169 -0.961 1.00 0.00 C ATOM 959 O CYS A 67 -11.438 1.486 -0.158 1.00 0.00 O ATOM 960 CB CYS A 67 -12.225 2.002 -3.315 1.00 0.00 C ATOM 961 SG CYS A 67 -11.112 2.115 -4.754 1.00 0.00 S ATOM 0 H CYS A 67 -13.307 -0.170 -3.625 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.874 0.589 -2.413 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.253 1.933 -3.670 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -12.148 2.923 -2.737 1.00 0.00 H new ATOM 966 N GLN A 68 -13.604 1.122 -0.646 1.00 0.00 N ATOM 967 CA GLN A 68 -14.081 1.452 0.693 1.00 0.00 C ATOM 968 C GLN A 68 -13.413 0.565 1.738 1.00 0.00 C ATOM 969 O GLN A 68 -12.896 1.055 2.741 1.00 0.00 O ATOM 970 CB GLN A 68 -15.607 1.302 0.759 1.00 0.00 C ATOM 971 CG GLN A 68 -16.179 1.385 2.167 1.00 0.00 C ATOM 972 CD GLN A 68 -16.985 0.154 2.541 1.00 0.00 C ATOM 973 OE1 GLN A 68 -16.754 -0.940 2.020 1.00 0.00 O ATOM 974 NE2 GLN A 68 -17.940 0.322 3.442 1.00 0.00 N ATOM 0 H GLN A 68 -14.340 0.858 -1.301 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.819 2.488 0.909 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -16.065 2.079 0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -15.887 0.344 0.321 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.364 1.512 2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -16.813 2.268 2.247 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -18.100 1.243 3.850 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -18.516 -0.470 3.728 1.00 0.00 H new ATOM 983 N ALA A 69 -13.431 -0.740 1.495 1.00 0.00 N ATOM 984 CA ALA A 69 -12.840 -1.698 2.419 1.00 0.00 C ATOM 985 C ALA A 69 -11.333 -1.499 2.549 1.00 0.00 C ATOM 986 O ALA A 69 -10.741 -1.817 3.579 1.00 0.00 O ATOM 987 CB ALA A 69 -13.145 -3.115 1.967 1.00 0.00 C ATOM 0 H ALA A 69 -13.849 -1.159 0.664 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.282 -1.530 3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.699 -3.824 2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -14.224 -3.264 1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -12.731 -3.276 0.972 1.00 0.00 H new ATOM 993 N ALA A 70 -10.712 -1.004 1.490 1.00 0.00 N ATOM 994 CA ALA A 70 -9.272 -0.798 1.477 1.00 0.00 C ATOM 995 C ALA A 70 -8.886 0.502 2.176 1.00 0.00 C ATOM 996 O ALA A 70 -7.985 0.522 3.010 1.00 0.00 O ATOM 997 CB ALA A 70 -8.758 -0.797 0.048 1.00 0.00 C ATOM 0 H ALA A 70 -11.184 -0.737 0.626 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.811 -1.620 2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.679 -0.642 0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.987 -1.754 -0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.239 0.006 -0.511 1.00 0.00 H new ATOM 1003 N LEU A 71 -9.523 1.597 1.777 1.00 0.00 N ATOM 1004 CA LEU A 71 -9.188 2.913 2.306 1.00 0.00 C ATOM 1005 C LEU A 71 -9.507 3.010 3.792 1.00 0.00 C ATOM 1006 O LEU A 71 -8.744 3.590 4.564 1.00 0.00 O ATOM 1007 CB LEU A 71 -9.911 4.006 1.505 1.00 0.00 C ATOM 1008 CG LEU A 71 -11.374 4.278 1.874 1.00 0.00 C ATOM 1009 CD1 LEU A 71 -11.499 5.558 2.676 1.00 0.00 C ATOM 1010 CD2 LEU A 71 -12.228 4.376 0.622 1.00 0.00 C ATOM 0 H LEU A 71 -10.275 1.599 1.088 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.114 3.064 2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.353 4.936 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.871 3.737 0.450 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.726 3.446 2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.546 5.730 2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.916 5.471 3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.125 6.395 2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.264 4.569 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.863 5.190 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.171 3.439 0.068 1.00 0.00 H new ATOM 1022 N ALA A 72 -10.622 2.421 4.190 1.00 0.00 N ATOM 1023 CA ALA A 72 -11.029 2.424 5.591 1.00 0.00 C ATOM 1024 C ALA A 72 -10.060 1.610 6.447 1.00 0.00 C ATOM 1025 O ALA A 72 -9.742 1.991 7.575 1.00 0.00 O ATOM 1026 CB ALA A 72 -12.444 1.890 5.738 1.00 0.00 C ATOM 0 H ALA A 72 -11.264 1.934 3.565 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.008 3.455 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.729 1.900 6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.131 2.518 5.170 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.489 0.869 5.360 1.00 0.00 H new ATOM 1032 N ALA A 73 -9.597 0.488 5.908 1.00 0.00 N ATOM 1033 CA ALA A 73 -8.673 -0.378 6.628 1.00 0.00 C ATOM 1034 C ALA A 73 -7.273 0.223 6.681 1.00 0.00 C ATOM 1035 O ALA A 73 -6.543 0.028 7.654 1.00 0.00 O ATOM 1036 CB ALA A 73 -8.630 -1.752 5.983 1.00 0.00 C ATOM 0 H ALA A 73 -9.846 0.158 4.976 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.035 -0.475 7.652 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.936 -2.389 6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.625 -2.196 6.006 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.298 -1.658 4.949 1.00 0.00 H new ATOM 1042 N ALA A 74 -6.899 0.939 5.626 1.00 0.00 N ATOM 1043 CA ALA A 74 -5.578 1.557 5.532 1.00 0.00 C ATOM 1044 C ALA A 74 -5.346 2.548 6.672 1.00 0.00 C ATOM 1045 O ALA A 74 -4.212 2.766 7.099 1.00 0.00 O ATOM 1046 CB ALA A 74 -5.419 2.255 4.190 1.00 0.00 C ATOM 0 H ALA A 74 -7.497 1.107 4.817 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.831 0.767 5.615 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.431 2.711 4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.530 1.527 3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.182 3.027 4.089 1.00 0.00 H new ATOM 1052 N LYS A 75 -6.430 3.142 7.163 1.00 0.00 N ATOM 1053 CA LYS A 75 -6.351 4.107 8.253 1.00 0.00 C ATOM 1054 C LYS A 75 -6.021 3.417 9.574 1.00 0.00 C ATOM 1055 O LYS A 75 -5.551 4.053 10.518 1.00 0.00 O ATOM 1056 CB LYS A 75 -7.669 4.872 8.390 1.00 0.00 C ATOM 1057 CG LYS A 75 -8.088 5.604 7.126 1.00 0.00 C ATOM 1058 CD LYS A 75 -9.601 5.666 6.999 1.00 0.00 C ATOM 1059 CE LYS A 75 -10.042 6.878 6.196 1.00 0.00 C ATOM 1060 NZ LYS A 75 -10.210 8.081 7.053 1.00 0.00 N ATOM 0 H LYS A 75 -7.376 2.971 6.821 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.551 4.809 8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.456 4.173 8.672 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.577 5.593 9.202 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.680 6.615 7.137 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.668 5.100 6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.965 4.758 6.518 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.050 5.703 7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.306 7.086 5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.983 6.657 5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.511 8.885 6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.931 7.892 7.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.306 8.308 7.514 1.00 0.00 H new ATOM 1074 N LEU A 76 -6.315 2.128 9.653 1.00 0.00 N ATOM 1075 CA LEU A 76 -6.096 1.373 10.879 1.00 0.00 C ATOM 1076 C LEU A 76 -4.819 0.545 10.795 1.00 0.00 C ATOM 1077 O LEU A 76 -4.259 0.140 11.819 1.00 0.00 O ATOM 1078 CB LEU A 76 -7.295 0.463 11.158 1.00 0.00 C ATOM 1079 CG LEU A 76 -8.343 1.031 12.120 1.00 0.00 C ATOM 1080 CD1 LEU A 76 -7.681 1.856 13.214 1.00 0.00 C ATOM 1081 CD2 LEU A 76 -9.364 1.867 11.362 1.00 0.00 C ATOM 0 H LEU A 76 -6.705 1.583 8.884 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.986 2.083 11.699 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.783 0.233 10.211 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.927 -0.479 11.564 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.862 0.197 12.592 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.444 2.249 13.885 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.992 1.227 13.777 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.132 2.683 12.764 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.101 2.263 12.061 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.858 2.693 10.861 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.865 1.245 10.620 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.363 0.306 9.574 1.00 0.00 N ATOM 1094 CA ALA A 77 -3.149 -0.460 9.341 1.00 0.00 C ATOM 1095 C ALA A 77 -1.918 0.386 9.636 1.00 0.00 C ATOM 1096 O ALA A 77 -1.821 1.534 9.199 1.00 0.00 O ATOM 1097 CB ALA A 77 -3.113 -0.972 7.908 1.00 0.00 C ATOM 0 H ALA A 77 -4.820 0.635 8.724 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.146 -1.316 10.015 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.199 -1.543 7.749 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.977 -1.612 7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.138 -0.128 7.219 1.00 0.00 H new ATOM 1103 N LYS A 78 -0.982 -0.181 10.377 1.00 0.00 N ATOM 1104 CA LYS A 78 0.239 0.526 10.725 1.00 0.00 C ATOM 1105 C LYS A 78 1.300 0.320 9.651 1.00 0.00 C ATOM 1106 O LYS A 78 2.083 -0.628 9.710 1.00 0.00 O ATOM 1107 CB LYS A 78 0.766 0.061 12.084 1.00 0.00 C ATOM 1108 CG LYS A 78 1.079 1.203 13.041 1.00 0.00 C ATOM 1109 CD LYS A 78 2.228 2.056 12.532 1.00 0.00 C ATOM 1110 CE LYS A 78 2.677 3.067 13.574 1.00 0.00 C ATOM 1111 NZ LYS A 78 3.935 2.650 14.245 1.00 0.00 N ATOM 0 H LYS A 78 -1.044 -1.129 10.749 1.00 0.00 H new ATOM 0 HA LYS A 78 0.009 1.589 10.789 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.028 -0.596 12.545 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.668 -0.531 11.931 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.193 1.824 13.170 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.331 0.799 14.022 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.067 1.414 12.261 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.921 2.578 11.626 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.823 4.037 13.099 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.892 3.192 14.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.207 3.366 14.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.789 1.736 14.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.691 2.555 13.537 1.00 0.00 H new ATOM 1125 N ILE A 79 1.323 1.223 8.681 1.00 0.00 N ATOM 1126 CA ILE A 79 2.295 1.166 7.597 1.00 0.00 C ATOM 1127 C ILE A 79 3.682 1.547 8.107 1.00 0.00 C ATOM 1128 O ILE A 79 3.870 2.622 8.678 1.00 0.00 O ATOM 1129 CB ILE A 79 1.893 2.105 6.433 1.00 0.00 C ATOM 1130 CG1 ILE A 79 0.440 1.849 6.007 1.00 0.00 C ATOM 1131 CG2 ILE A 79 2.840 1.929 5.252 1.00 0.00 C ATOM 1132 CD1 ILE A 79 0.168 0.421 5.579 1.00 0.00 C ATOM 0 H ILE A 79 0.675 2.009 8.622 1.00 0.00 H new ATOM 0 HA ILE A 79 2.315 0.142 7.224 1.00 0.00 H new ATOM 0 HB ILE A 79 1.969 3.135 6.782 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.221 2.102 6.836 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.190 2.519 5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.542 2.597 4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.857 2.167 5.563 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.799 0.897 4.904 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.879 0.320 5.293 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.802 0.169 4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.385 -0.254 6.407 1.00 0.00 H new ATOM 1144 N PRO A 80 4.657 0.640 7.955 1.00 0.00 N ATOM 1145 CA PRO A 80 6.021 0.851 8.445 1.00 0.00 C ATOM 1146 C PRO A 80 6.709 2.017 7.740 1.00 0.00 C ATOM 1147 O PRO A 80 6.418 2.313 6.577 1.00 0.00 O ATOM 1148 CB PRO A 80 6.737 -0.464 8.117 1.00 0.00 C ATOM 1149 CG PRO A 80 5.649 -1.460 7.901 1.00 0.00 C ATOM 1150 CD PRO A 80 4.492 -0.685 7.342 1.00 0.00 C ATOM 0 HA PRO A 80 6.035 1.101 9.506 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.359 -0.362 7.228 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.393 -0.769 8.932 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.966 -2.242 7.211 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.376 -1.951 8.835 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.528 -0.634 6.254 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.537 -1.137 7.608 1.00 0.00 H new ATOM 1158 N LYS A 81 7.660 2.637 8.427 1.00 0.00 N ATOM 1159 CA LYS A 81 8.433 3.721 7.857 1.00 0.00 C ATOM 1160 C LYS A 81 9.356 3.182 6.765 1.00 0.00 C ATOM 1161 O LYS A 81 9.916 2.093 6.910 1.00 0.00 O ATOM 1162 CB LYS A 81 9.238 4.406 8.961 1.00 0.00 C ATOM 1163 CG LYS A 81 8.843 5.855 9.195 1.00 0.00 C ATOM 1164 CD LYS A 81 8.746 6.180 10.680 1.00 0.00 C ATOM 1165 CE LYS A 81 7.442 5.679 11.285 1.00 0.00 C ATOM 1166 NZ LYS A 81 6.594 6.792 11.794 1.00 0.00 N ATOM 0 H LYS A 81 7.912 2.402 9.387 1.00 0.00 H new ATOM 0 HA LYS A 81 7.763 4.454 7.407 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.111 3.849 9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.297 4.364 8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.575 6.512 8.726 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.884 6.053 8.716 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.587 5.729 11.206 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.822 7.258 10.822 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.888 5.116 10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.663 4.990 12.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.682 6.413 12.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 7.076 7.261 12.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.431 7.480 11.032 1.00 0.00 H new ATOM 1180 N PRO A 82 9.425 3.875 5.612 1.00 0.00 N ATOM 1181 CA PRO A 82 10.166 3.403 4.435 1.00 0.00 C ATOM 1182 C PRO A 82 11.638 3.121 4.725 1.00 0.00 C ATOM 1183 O PRO A 82 12.407 4.029 5.052 1.00 0.00 O ATOM 1184 CB PRO A 82 10.033 4.553 3.423 1.00 0.00 C ATOM 1185 CG PRO A 82 9.471 5.704 4.188 1.00 0.00 C ATOM 1186 CD PRO A 82 8.686 5.110 5.320 1.00 0.00 C ATOM 0 HA PRO A 82 9.766 2.454 4.078 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.000 4.806 2.990 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.377 4.274 2.598 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.266 6.349 4.562 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.834 6.320 3.553 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.653 5.775 6.183 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.654 4.906 5.034 1.00 0.00 H new ATOM 1194 N PRO A 83 12.051 1.853 4.590 1.00 0.00 N ATOM 1195 CA PRO A 83 13.432 1.448 4.815 1.00 0.00 C ATOM 1196 C PRO A 83 14.328 1.765 3.618 1.00 0.00 C ATOM 1197 O PRO A 83 15.392 2.361 3.770 1.00 0.00 O ATOM 1198 CB PRO A 83 13.323 -0.060 5.033 1.00 0.00 C ATOM 1199 CG PRO A 83 12.111 -0.481 4.268 1.00 0.00 C ATOM 1200 CD PRO A 83 11.196 0.718 4.195 1.00 0.00 C ATOM 0 HA PRO A 83 13.888 1.976 5.652 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.214 -0.575 4.673 1.00 0.00 H new ATOM 0 HB3 PRO A 83 13.223 -0.298 6.092 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.384 -0.819 3.268 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.614 -1.316 4.762 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.796 0.852 3.190 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.344 0.610 4.866 1.00 0.00 H new ATOM 1208 N SER A 84 13.895 1.364 2.432 1.00 0.00 N ATOM 1209 CA SER A 84 14.654 1.599 1.216 1.00 0.00 C ATOM 1210 C SER A 84 14.400 3.005 0.680 1.00 0.00 C ATOM 1211 O SER A 84 13.375 3.623 0.987 1.00 0.00 O ATOM 1212 CB SER A 84 14.269 0.559 0.170 1.00 0.00 C ATOM 1213 OG SER A 84 13.193 -0.243 0.631 1.00 0.00 O ATOM 0 H SER A 84 13.014 0.870 2.287 1.00 0.00 H new ATOM 0 HA SER A 84 15.717 1.512 1.442 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.986 1.057 -0.758 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.129 -0.072 -0.056 1.00 0.00 H new ATOM 0 HG SER A 84 13.243 -1.128 0.214 1.00 0.00 H new ATOM 1219 N GLN A 85 15.341 3.513 -0.104 1.00 0.00 N ATOM 1220 CA GLN A 85 15.227 4.854 -0.662 1.00 0.00 C ATOM 1221 C GLN A 85 14.235 4.880 -1.818 1.00 0.00 C ATOM 1222 O GLN A 85 13.597 5.900 -2.074 1.00 0.00 O ATOM 1223 CB GLN A 85 16.591 5.356 -1.134 1.00 0.00 C ATOM 1224 CG GLN A 85 17.279 6.269 -0.134 1.00 0.00 C ATOM 1225 CD GLN A 85 18.056 5.503 0.919 1.00 0.00 C ATOM 1226 OE1 GLN A 85 18.044 4.272 0.952 1.00 0.00 O ATOM 1227 NE2 GLN A 85 18.753 6.225 1.778 1.00 0.00 N ATOM 0 H GLN A 85 16.192 3.017 -0.368 1.00 0.00 H new ATOM 0 HA GLN A 85 14.860 5.514 0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 85 17.235 4.500 -1.335 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.467 5.890 -2.076 1.00 0.00 H new ATOM 0 HG2 GLN A 85 17.957 6.938 -0.665 1.00 0.00 H new ATOM 0 HG3 GLN A 85 16.532 6.894 0.355 1.00 0.00 H new ATOM 0 HE21 GLN A 85 18.738 7.243 1.719 1.00 0.00 H new ATOM 0 HE22 GLN A 85 19.306 5.764 2.500 1.00 0.00 H new ATOM 1236 N ALA A 86 14.084 3.744 -2.490 1.00 0.00 N ATOM 1237 CA ALA A 86 13.142 3.635 -3.597 1.00 0.00 C ATOM 1238 C ALA A 86 11.720 3.910 -3.123 1.00 0.00 C ATOM 1239 O ALA A 86 10.965 4.622 -3.782 1.00 0.00 O ATOM 1240 CB ALA A 86 13.229 2.260 -4.239 1.00 0.00 C ATOM 0 H ALA A 86 14.600 2.888 -2.288 1.00 0.00 H new ATOM 0 HA ALA A 86 13.407 4.383 -4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.518 2.198 -5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 86 14.238 2.098 -4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 86 12.993 1.497 -3.498 1.00 0.00 H new ATOM 1246 N VAL A 87 11.383 3.392 -1.945 1.00 0.00 N ATOM 1247 CA VAL A 87 10.072 3.632 -1.351 1.00 0.00 C ATOM 1248 C VAL A 87 9.869 5.118 -1.085 1.00 0.00 C ATOM 1249 O VAL A 87 8.808 5.670 -1.368 1.00 0.00 O ATOM 1250 CB VAL A 87 9.886 2.859 -0.026 1.00 0.00 C ATOM 1251 CG1 VAL A 87 8.426 2.872 0.401 1.00 0.00 C ATOM 1252 CG2 VAL A 87 10.393 1.431 -0.154 1.00 0.00 C ATOM 0 H VAL A 87 11.999 2.804 -1.384 1.00 0.00 H new ATOM 0 HA VAL A 87 9.332 3.275 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 87 10.475 3.359 0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.315 2.323 1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.098 3.902 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.817 2.401 -0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.251 0.908 0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.839 0.917 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.453 1.443 -0.406 1.00 0.00 H new ATOM 1262 N TYR A 88 10.916 5.755 -0.571 1.00 0.00 N ATOM 1263 CA TYR A 88 10.908 7.187 -0.284 1.00 0.00 C ATOM 1264 C TYR A 88 10.624 8.010 -1.542 1.00 0.00 C ATOM 1265 O TYR A 88 10.050 9.093 -1.468 1.00 0.00 O ATOM 1266 CB TYR A 88 12.260 7.586 0.307 1.00 0.00 C ATOM 1267 CG TYR A 88 12.177 8.550 1.468 1.00 0.00 C ATOM 1268 CD1 TYR A 88 11.696 8.138 2.704 1.00 0.00 C ATOM 1269 CD2 TYR A 88 12.600 9.867 1.334 1.00 0.00 C ATOM 1270 CE1 TYR A 88 11.640 9.009 3.775 1.00 0.00 C ATOM 1271 CE2 TYR A 88 12.543 10.745 2.400 1.00 0.00 C ATOM 1272 CZ TYR A 88 12.064 10.311 3.616 1.00 0.00 C ATOM 1273 OH TYR A 88 12.021 11.176 4.683 1.00 0.00 O ATOM 0 H TYR A 88 11.796 5.293 -0.341 1.00 0.00 H new ATOM 0 HA TYR A 88 10.111 7.392 0.431 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.779 6.685 0.635 1.00 0.00 H new ATOM 0 HB3 TYR A 88 12.867 8.035 -0.479 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.360 7.119 2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 88 12.979 10.210 0.383 1.00 0.00 H new ATOM 0 HE1 TYR A 88 11.266 8.672 4.731 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.873 11.766 2.280 1.00 0.00 H new ATOM 0 HH TYR A 88 12.355 12.054 4.406 1.00 0.00 H new ATOM 1283 N GLU A 89 11.069 7.508 -2.685 1.00 0.00 N ATOM 1284 CA GLU A 89 10.905 8.214 -3.949 1.00 0.00 C ATOM 1285 C GLU A 89 9.472 8.119 -4.473 1.00 0.00 C ATOM 1286 O GLU A 89 9.030 8.972 -5.239 1.00 0.00 O ATOM 1287 CB GLU A 89 11.871 7.646 -4.988 1.00 0.00 C ATOM 1288 CG GLU A 89 12.946 8.627 -5.411 1.00 0.00 C ATOM 1289 CD GLU A 89 12.396 9.761 -6.253 1.00 0.00 C ATOM 1290 OE1 GLU A 89 12.033 9.517 -7.423 1.00 0.00 O ATOM 1291 OE2 GLU A 89 12.328 10.898 -5.746 1.00 0.00 O ATOM 0 H GLU A 89 11.548 6.611 -2.764 1.00 0.00 H new ATOM 0 HA GLU A 89 11.126 9.266 -3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 89 12.345 6.752 -4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.306 7.336 -5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.428 9.038 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.714 8.099 -5.976 1.00 0.00 H new ATOM 1298 N VAL A 90 8.795 7.024 -4.157 1.00 0.00 N ATOM 1299 CA VAL A 90 7.471 6.769 -4.713 1.00 0.00 C ATOM 1300 C VAL A 90 6.351 7.295 -3.813 1.00 0.00 C ATOM 1301 O VAL A 90 5.390 7.890 -4.290 1.00 0.00 O ATOM 1302 CB VAL A 90 7.248 5.256 -4.947 1.00 0.00 C ATOM 1303 CG1 VAL A 90 6.040 5.013 -5.837 1.00 0.00 C ATOM 1304 CG2 VAL A 90 8.483 4.610 -5.549 1.00 0.00 C ATOM 0 H VAL A 90 9.137 6.302 -3.523 1.00 0.00 H new ATOM 0 HA VAL A 90 7.434 7.302 -5.663 1.00 0.00 H new ATOM 0 HB VAL A 90 7.058 4.797 -3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.907 3.941 -5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.150 5.427 -5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.196 5.496 -6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.299 3.547 -5.703 1.00 0.00 H new ATOM 0 HG22 VAL A 90 8.711 5.081 -6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 90 9.327 4.738 -4.871 1.00 0.00 H new ATOM 1314 N PHE A 91 6.383 6.887 -2.555 1.00 0.00 N ATOM 1315 CA PHE A 91 5.279 7.093 -1.637 1.00 0.00 C ATOM 1316 C PHE A 91 4.940 8.559 -1.379 1.00 0.00 C ATOM 1317 O PHE A 91 3.908 8.861 -0.779 1.00 0.00 O ATOM 1318 CB PHE A 91 5.618 6.359 -0.335 1.00 0.00 C ATOM 1319 CG PHE A 91 6.432 7.151 0.665 1.00 0.00 C ATOM 1320 CD1 PHE A 91 7.517 7.917 0.267 1.00 0.00 C ATOM 1321 CD2 PHE A 91 6.107 7.118 2.008 1.00 0.00 C ATOM 1322 CE1 PHE A 91 8.253 8.636 1.188 1.00 0.00 C ATOM 1323 CE2 PHE A 91 6.840 7.833 2.933 1.00 0.00 C ATOM 1324 CZ PHE A 91 7.914 8.593 2.521 1.00 0.00 C ATOM 0 H PHE A 91 7.179 6.402 -2.142 1.00 0.00 H new ATOM 0 HA PHE A 91 4.376 6.690 -2.095 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.687 6.052 0.142 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.164 5.449 -0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.790 7.952 -0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.267 6.524 2.338 1.00 0.00 H new ATOM 0 HE1 PHE A 91 9.093 9.231 0.863 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.573 7.797 3.979 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.488 9.154 3.243 1.00 0.00 H new ATOM 1334 N LYS A 92 5.814 9.460 -1.778 1.00 0.00 N ATOM 1335 CA LYS A 92 5.598 10.871 -1.514 1.00 0.00 C ATOM 1336 C LYS A 92 4.537 11.468 -2.435 1.00 0.00 C ATOM 1337 O LYS A 92 4.066 12.582 -2.191 1.00 0.00 O ATOM 1338 CB LYS A 92 6.909 11.651 -1.644 1.00 0.00 C ATOM 1339 CG LYS A 92 7.622 11.435 -2.970 1.00 0.00 C ATOM 1340 CD LYS A 92 8.792 12.391 -3.136 1.00 0.00 C ATOM 1341 CE LYS A 92 10.118 11.649 -3.179 1.00 0.00 C ATOM 1342 NZ LYS A 92 11.146 12.387 -3.952 1.00 0.00 N ATOM 0 H LYS A 92 6.674 9.245 -2.282 1.00 0.00 H new ATOM 0 HA LYS A 92 5.233 10.955 -0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.702 12.714 -1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.576 11.361 -0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.980 10.407 -3.029 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.918 11.575 -3.790 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.666 12.966 -4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.800 13.104 -2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.476 11.488 -2.162 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.968 10.665 -3.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.316 11.901 -4.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.813 13.355 -4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.031 12.424 -3.407 1.00 0.00 H new ATOM 1356 N ASN A 93 4.169 10.749 -3.498 1.00 0.00 N ATOM 1357 CA ASN A 93 3.169 11.275 -4.437 1.00 0.00 C ATOM 1358 C ASN A 93 2.673 10.229 -5.441 1.00 0.00 C ATOM 1359 O ASN A 93 2.118 10.583 -6.482 1.00 0.00 O ATOM 1360 CB ASN A 93 3.729 12.496 -5.194 1.00 0.00 C ATOM 1361 CG ASN A 93 4.669 12.124 -6.332 1.00 0.00 C ATOM 1362 OD1 ASN A 93 5.685 11.458 -6.127 1.00 0.00 O ATOM 1363 ND2 ASN A 93 4.344 12.570 -7.538 1.00 0.00 N ATOM 0 H ASN A 93 4.535 9.825 -3.729 1.00 0.00 H new ATOM 0 HA ASN A 93 2.311 11.571 -3.833 1.00 0.00 H new ATOM 0 HB2 ASN A 93 2.899 13.078 -5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 93 4.259 13.138 -4.491 1.00 0.00 H new ATOM 0 HD21 ASN A 93 4.944 12.364 -8.337 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.494 13.119 -7.667 1.00 0.00 H new ATOM 1370 N ALA A 94 2.802 8.951 -5.120 1.00 0.00 N ATOM 1371 CA ALA A 94 2.299 7.915 -6.006 1.00 0.00 C ATOM 1372 C ALA A 94 1.273 7.039 -5.304 1.00 0.00 C ATOM 1373 O ALA A 94 1.528 6.511 -4.223 1.00 0.00 O ATOM 1374 CB ALA A 94 3.436 7.071 -6.551 1.00 0.00 C ATOM 0 H ALA A 94 3.244 8.610 -4.266 1.00 0.00 H new ATOM 0 HA ALA A 94 1.804 8.408 -6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.034 6.302 -7.211 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.125 7.705 -7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.967 6.598 -5.725 1.00 0.00 H new ATOM 1380 N PRO A 95 0.069 6.945 -5.880 1.00 0.00 N ATOM 1381 CA PRO A 95 -1.049 6.204 -5.287 1.00 0.00 C ATOM 1382 C PRO A 95 -0.850 4.694 -5.373 1.00 0.00 C ATOM 1383 O PRO A 95 -0.050 4.203 -6.174 1.00 0.00 O ATOM 1384 CB PRO A 95 -2.253 6.644 -6.137 1.00 0.00 C ATOM 1385 CG PRO A 95 -1.788 7.873 -6.841 1.00 0.00 C ATOM 1386 CD PRO A 95 -0.339 7.629 -7.111 1.00 0.00 C ATOM 0 HA PRO A 95 -1.164 6.412 -4.223 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.543 5.868 -6.845 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.124 6.849 -5.514 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.342 8.033 -7.766 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.932 8.761 -6.225 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.184 7.012 -7.996 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.212 8.556 -7.269 1.00 0.00 H new ATOM 1394 N LEU A 96 -1.516 3.972 -4.487 1.00 0.00 N ATOM 1395 CA LEU A 96 -1.342 2.533 -4.395 1.00 0.00 C ATOM 1396 C LEU A 96 -2.409 1.793 -5.186 1.00 0.00 C ATOM 1397 O LEU A 96 -3.608 2.033 -5.015 1.00 0.00 O ATOM 1398 CB LEU A 96 -1.384 2.083 -2.932 1.00 0.00 C ATOM 1399 CG LEU A 96 -0.770 0.710 -2.657 1.00 0.00 C ATOM 1400 CD1 LEU A 96 0.522 0.851 -1.869 1.00 0.00 C ATOM 1401 CD2 LEU A 96 -1.758 -0.174 -1.911 1.00 0.00 C ATOM 0 H LEU A 96 -2.183 4.360 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.368 2.292 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.864 2.824 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.423 2.072 -2.601 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.538 0.238 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.944 -0.136 -1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.233 1.448 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.316 1.343 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.305 -1.148 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.020 0.294 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.658 -0.302 -2.513 1.00 0.00 H new ATOM 1413 N ASP A 97 -1.967 0.824 -5.971 1.00 0.00 N ATOM 1414 CA ASP A 97 -2.870 -0.050 -6.699 1.00 0.00 C ATOM 1415 C ASP A 97 -3.358 -1.156 -5.771 1.00 0.00 C ATOM 1416 O ASP A 97 -2.571 -1.976 -5.292 1.00 0.00 O ATOM 1417 CB ASP A 97 -2.155 -0.634 -7.929 1.00 0.00 C ATOM 1418 CG ASP A 97 -2.491 -2.091 -8.210 1.00 0.00 C ATOM 1419 OD1 ASP A 97 -3.545 -2.358 -8.820 1.00 0.00 O ATOM 1420 OD2 ASP A 97 -1.680 -2.976 -7.855 1.00 0.00 O ATOM 0 H ASP A 97 -0.978 0.622 -6.121 1.00 0.00 H new ATOM 0 HA ASP A 97 -3.733 0.517 -7.048 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -2.414 -0.037 -8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -1.078 -0.541 -7.788 1.00 0.00 H new ATOM 1425 N PHE A 98 -4.636 -1.135 -5.453 1.00 0.00 N ATOM 1426 CA PHE A 98 -5.186 -2.100 -4.526 1.00 0.00 C ATOM 1427 C PHE A 98 -6.022 -3.132 -5.255 1.00 0.00 C ATOM 1428 O PHE A 98 -7.024 -2.809 -5.891 1.00 0.00 O ATOM 1429 CB PHE A 98 -6.021 -1.425 -3.440 1.00 0.00 C ATOM 1430 CG PHE A 98 -6.334 -2.352 -2.302 1.00 0.00 C ATOM 1431 CD1 PHE A 98 -5.436 -2.515 -1.261 1.00 0.00 C ATOM 1432 CD2 PHE A 98 -7.516 -3.075 -2.284 1.00 0.00 C ATOM 1433 CE1 PHE A 98 -5.710 -3.383 -0.223 1.00 0.00 C ATOM 1434 CE2 PHE A 98 -7.797 -3.941 -1.247 1.00 0.00 C ATOM 1435 CZ PHE A 98 -6.893 -4.096 -0.215 1.00 0.00 C ATOM 0 H PHE A 98 -5.310 -0.463 -5.821 1.00 0.00 H new ATOM 0 HA PHE A 98 -4.345 -2.601 -4.045 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -5.484 -0.556 -3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -6.952 -1.060 -3.875 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -4.511 -1.957 -1.261 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -8.225 -2.959 -3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -5.000 -3.504 0.582 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -8.723 -4.497 -1.243 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.111 -4.774 0.597 1.00 0.00 H new ATOM 1445 N LYS A 99 -5.643 -4.376 -5.078 1.00 0.00 N ATOM 1446 CA LYS A 99 -6.377 -5.497 -5.617 1.00 0.00 C ATOM 1447 C LYS A 99 -6.159 -6.688 -4.695 1.00 0.00 C ATOM 1448 O LYS A 99 -5.240 -6.651 -3.872 1.00 0.00 O ATOM 1449 CB LYS A 99 -5.906 -5.813 -7.044 1.00 0.00 C ATOM 1450 CG LYS A 99 -4.429 -6.155 -7.151 1.00 0.00 C ATOM 1451 CD LYS A 99 -4.064 -6.585 -8.561 1.00 0.00 C ATOM 1452 CE LYS A 99 -2.869 -5.807 -9.087 1.00 0.00 C ATOM 1453 NZ LYS A 99 -3.276 -4.733 -10.031 1.00 0.00 N ATOM 0 H LYS A 99 -4.810 -4.641 -4.552 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.440 -5.262 -5.672 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.490 -6.648 -7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.116 -4.955 -7.682 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.831 -5.289 -6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.187 -6.954 -6.450 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.839 -7.651 -8.571 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.918 -6.434 -9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.326 -5.368 -8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.184 -6.490 -9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.457 -4.445 -10.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.028 -5.087 -10.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.628 -3.914 -9.495 1.00 0.00 H new ATOM 1467 N PRO A 100 -7.002 -7.735 -4.797 1.00 0.00 N ATOM 1468 CA PRO A 100 -6.910 -8.936 -3.962 1.00 0.00 C ATOM 1469 C PRO A 100 -5.463 -9.377 -3.736 1.00 0.00 C ATOM 1470 O PRO A 100 -4.770 -9.786 -4.668 1.00 0.00 O ATOM 1471 CB PRO A 100 -7.686 -9.996 -4.761 1.00 0.00 C ATOM 1472 CG PRO A 100 -8.216 -9.303 -5.981 1.00 0.00 C ATOM 1473 CD PRO A 100 -8.131 -7.829 -5.719 1.00 0.00 C ATOM 0 HA PRO A 100 -7.312 -8.768 -2.963 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.036 -10.826 -5.038 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -8.499 -10.412 -4.166 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -7.633 -9.572 -6.862 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.246 -9.601 -6.177 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.955 -7.264 -6.634 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -9.049 -7.442 -5.277 1.00 0.00 H new ATOM 1481 N HIS A 101 -4.981 -9.146 -2.520 1.00 0.00 N ATOM 1482 CA HIS A 101 -3.578 -9.371 -2.193 1.00 0.00 C ATOM 1483 C HIS A 101 -3.225 -10.854 -2.238 1.00 0.00 C ATOM 1484 O HIS A 101 -4.048 -11.709 -1.911 1.00 0.00 O ATOM 1485 CB HIS A 101 -3.251 -8.786 -0.805 1.00 0.00 C ATOM 1486 CG HIS A 101 -3.703 -9.639 0.349 1.00 0.00 C ATOM 1487 ND1 HIS A 101 -2.934 -10.644 0.900 1.00 0.00 N ATOM 1488 CD2 HIS A 101 -4.862 -9.637 1.045 1.00 0.00 C ATOM 1489 CE1 HIS A 101 -3.603 -11.218 1.883 1.00 0.00 C ATOM 1490 NE2 HIS A 101 -4.776 -10.625 1.991 1.00 0.00 N ATOM 0 H HIS A 101 -5.544 -8.802 -1.742 1.00 0.00 H new ATOM 0 HA HIS A 101 -2.975 -8.861 -2.945 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -2.174 -8.637 -0.731 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -3.715 -7.804 -0.719 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -5.702 -8.977 0.885 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -3.250 -12.035 2.495 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -5.501 -10.863 2.668 1.00 0.00 H new ATOM 1499 N HIS A 102 -1.960 -11.139 -2.507 1.00 0.00 N ATOM 1500 CA HIS A 102 -1.468 -12.501 -2.432 1.00 0.00 C ATOM 1501 C HIS A 102 -1.211 -12.858 -0.977 1.00 0.00 C ATOM 1502 O HIS A 102 -1.421 -14.029 -0.601 1.00 0.00 O ATOM 1503 CB HIS A 102 -0.198 -12.686 -3.281 1.00 0.00 C ATOM 1504 CG HIS A 102 1.084 -12.266 -2.615 1.00 0.00 C ATOM 1505 ND1 HIS A 102 1.822 -13.096 -1.794 1.00 0.00 N ATOM 1506 CD2 HIS A 102 1.764 -11.096 -2.667 1.00 0.00 C ATOM 1507 CE1 HIS A 102 2.895 -12.452 -1.372 1.00 0.00 C ATOM 1508 NE2 HIS A 102 2.886 -11.238 -1.888 1.00 0.00 N ATOM 0 H HIS A 102 -1.261 -10.448 -2.778 1.00 0.00 H new ATOM 0 HA HIS A 102 -2.223 -13.174 -2.839 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -0.117 -13.737 -3.560 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -0.312 -12.119 -4.205 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.477 -10.214 -3.219 1.00 0.00 H new ATOM 0 HE1 HIS A 102 3.653 -12.852 -0.715 1.00 0.00 H new ATOM 0 HE2 HIS A 102 3.596 -10.522 -1.734 1.00 0.00 H new TER 1517 HIS A 102