USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 861 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 31 SER OG : rot 172:sc= 0.0564 USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0.0565 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0559 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -134:sc= 1.18 (180deg=-0.924) USER MOD Single : A 14 CYS SG : rot 65:sc= 0.211 USER MOD Single : A 17 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.3) USER MOD Single : A 22 HIS : no HD1:sc= -2.42 K(o=-2.4,f=-3.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.2) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -136:sc= 0.0544 USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0074) USER MOD Single : A 44 MET CE :methyl -132:sc= -2.62! (180deg=-5.75!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.00016) USER MOD Single : A 58 LYS NZ :NH3+ -158:sc= -0.0481 (180deg=-0.313) USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000104) USER MOD Single : A 61 LYS NZ :NH3+ 162:sc= -0.105 (180deg=-0.548) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -129:sc= 0 (180deg=-0.131) USER MOD Single : A 70 GLN : amide:sc= -1.87! C(o=-1.9!,f=-2.8!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -163:sc=-0.00934 (180deg=-0.163) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 104:sc= 0.125 USER MOD Single : A 80 SER OG : rot 180:sc= -0.896 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.543 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 4:sc= 1.08 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 180:sc= -0.863 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.392 K(o=-0.39,f=-2.2) USER MOD Single : A 99 HIS : no HE2:sc= -0.73 K(o=-0.73,f=-2.7) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 103 SER OG : rot -143:sc= -0.193 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.186 25.144 -12.353 1.00 0.00 N ATOM 2 CA GLY A 1 9.745 25.271 -12.232 1.00 0.00 C ATOM 3 C GLY A 1 9.224 24.740 -10.912 1.00 0.00 C ATOM 4 O GLY A 1 9.940 24.049 -10.187 1.00 0.00 O ATOM 0 H1 GLY A 1 11.616 26.090 -12.395 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.560 24.630 -11.530 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.417 24.621 -13.222 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.466 26.320 -12.333 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.266 24.733 -13.050 1.00 0.00 H new ATOM 8 N SER A 2 7.974 25.065 -10.596 1.00 0.00 N ATOM 9 CA SER A 2 7.360 24.620 -9.351 1.00 0.00 C ATOM 10 C SER A 2 5.852 24.460 -9.516 1.00 0.00 C ATOM 11 O SER A 2 5.268 24.942 -10.486 1.00 0.00 O ATOM 12 CB SER A 2 7.659 25.614 -8.227 1.00 0.00 C ATOM 13 OG SER A 2 7.572 24.990 -6.957 1.00 0.00 O ATOM 0 H SER A 2 7.367 25.635 -11.185 1.00 0.00 H new ATOM 0 HA SER A 2 7.784 23.650 -9.091 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.657 26.032 -8.363 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.956 26.445 -8.276 1.00 0.00 H new ATOM 0 HG SER A 2 7.769 25.646 -6.256 1.00 0.00 H new ATOM 19 N SER A 3 5.227 23.779 -8.560 1.00 0.00 N ATOM 20 CA SER A 3 3.788 23.551 -8.601 1.00 0.00 C ATOM 21 C SER A 3 3.096 24.240 -7.428 1.00 0.00 C ATOM 22 O SER A 3 3.735 24.603 -6.442 1.00 0.00 O ATOM 23 CB SER A 3 3.487 22.051 -8.575 1.00 0.00 C ATOM 24 OG SER A 3 4.229 21.365 -9.569 1.00 0.00 O ATOM 0 H SER A 3 5.695 23.376 -7.748 1.00 0.00 H new ATOM 0 HA SER A 3 3.404 23.976 -9.528 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.728 21.645 -7.592 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.421 21.888 -8.735 1.00 0.00 H new ATOM 0 HG SER A 3 4.020 20.408 -9.531 1.00 0.00 H new ATOM 30 N GLY A 4 1.783 24.416 -7.545 1.00 0.00 N ATOM 31 CA GLY A 4 1.024 25.060 -6.489 1.00 0.00 C ATOM 32 C GLY A 4 0.992 24.240 -5.214 1.00 0.00 C ATOM 33 O GLY A 4 1.306 23.050 -5.226 1.00 0.00 O ATOM 0 H GLY A 4 1.232 24.124 -8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.458 26.037 -6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.004 25.232 -6.832 1.00 0.00 H new ATOM 37 N SER A 5 0.612 24.877 -4.112 1.00 0.00 N ATOM 38 CA SER A 5 0.545 24.200 -2.822 1.00 0.00 C ATOM 39 C SER A 5 -0.158 25.072 -1.786 1.00 0.00 C ATOM 40 O SER A 5 -0.265 26.287 -1.952 1.00 0.00 O ATOM 41 CB SER A 5 1.951 23.844 -2.335 1.00 0.00 C ATOM 42 OG SER A 5 2.764 25.001 -2.234 1.00 0.00 O ATOM 0 H SER A 5 0.346 25.861 -4.086 1.00 0.00 H new ATOM 0 HA SER A 5 -0.031 23.283 -2.951 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.889 23.353 -1.364 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.408 23.133 -3.023 1.00 0.00 H new ATOM 0 HG SER A 5 3.657 24.747 -1.919 1.00 0.00 H new ATOM 48 N SER A 6 -0.636 24.442 -0.718 1.00 0.00 N ATOM 49 CA SER A 6 -1.333 25.159 0.344 1.00 0.00 C ATOM 50 C SER A 6 -0.404 25.417 1.526 1.00 0.00 C ATOM 51 O SER A 6 -0.283 26.545 2.001 1.00 0.00 O ATOM 52 CB SER A 6 -2.557 24.365 0.806 1.00 0.00 C ATOM 53 OG SER A 6 -3.425 25.173 1.581 1.00 0.00 O ATOM 0 H SER A 6 -0.554 23.437 -0.565 1.00 0.00 H new ATOM 0 HA SER A 6 -1.661 26.119 -0.054 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.092 23.978 -0.061 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.236 23.504 1.392 1.00 0.00 H new ATOM 0 HG SER A 6 -4.200 24.644 1.863 1.00 0.00 H new ATOM 59 N GLY A 7 0.252 24.360 1.997 1.00 0.00 N ATOM 60 CA GLY A 7 1.162 24.491 3.119 1.00 0.00 C ATOM 61 C GLY A 7 1.981 23.237 3.351 1.00 0.00 C ATOM 62 O GLY A 7 3.206 23.257 3.231 1.00 0.00 O ATOM 0 H GLY A 7 0.169 23.416 1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.833 25.332 2.942 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.593 24.721 4.020 1.00 0.00 H new ATOM 66 N GLU A 8 1.304 22.143 3.687 1.00 0.00 N ATOM 67 CA GLU A 8 1.978 20.875 3.939 1.00 0.00 C ATOM 68 C GLU A 8 1.168 19.708 3.383 1.00 0.00 C ATOM 69 O GLU A 8 0.061 19.892 2.876 1.00 0.00 O ATOM 70 CB GLU A 8 2.207 20.683 5.440 1.00 0.00 C ATOM 71 CG GLU A 8 2.980 21.819 6.088 1.00 0.00 C ATOM 72 CD GLU A 8 3.729 21.379 7.331 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.133 20.200 7.395 1.00 0.00 O ATOM 74 OE2 GLU A 8 3.912 22.216 8.240 1.00 0.00 O ATOM 0 H GLU A 8 0.290 22.110 3.791 1.00 0.00 H new ATOM 0 HA GLU A 8 2.943 20.899 3.432 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.242 20.582 5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.747 19.750 5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.688 22.229 5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.290 22.621 6.349 1.00 0.00 H new ATOM 81 N VAL A 9 1.728 18.506 3.482 1.00 0.00 N ATOM 82 CA VAL A 9 1.058 17.309 2.990 1.00 0.00 C ATOM 83 C VAL A 9 0.296 16.607 4.108 1.00 0.00 C ATOM 84 O VAL A 9 0.843 16.351 5.181 1.00 0.00 O ATOM 85 CB VAL A 9 2.062 16.319 2.368 1.00 0.00 C ATOM 86 CG1 VAL A 9 3.071 15.858 3.409 1.00 0.00 C ATOM 87 CG2 VAL A 9 1.332 15.132 1.759 1.00 0.00 C ATOM 0 H VAL A 9 2.644 18.336 3.898 1.00 0.00 H new ATOM 0 HA VAL A 9 0.355 17.633 2.222 1.00 0.00 H new ATOM 0 HB VAL A 9 2.604 16.830 1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.772 15.159 2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.616 16.720 3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.549 15.364 4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.056 14.443 1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.763 14.619 2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.653 15.482 0.982 1.00 0.00 H new ATOM 97 N ASP A 10 -0.970 16.297 3.850 1.00 0.00 N ATOM 98 CA ASP A 10 -1.808 15.622 4.834 1.00 0.00 C ATOM 99 C ASP A 10 -2.193 14.226 4.355 1.00 0.00 C ATOM 100 O ASP A 10 -2.599 14.026 3.210 1.00 0.00 O ATOM 101 CB ASP A 10 -3.068 16.445 5.112 1.00 0.00 C ATOM 102 CG ASP A 10 -3.650 16.166 6.484 1.00 0.00 C ATOM 103 OD1 ASP A 10 -2.979 16.484 7.489 1.00 0.00 O ATOM 104 OD2 ASP A 10 -4.776 15.632 6.553 1.00 0.00 O ATOM 0 H ASP A 10 -1.438 16.503 2.967 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.236 15.524 5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.831 17.506 5.030 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.817 16.226 4.351 1.00 0.00 H new ATOM 109 N PRO A 11 -2.062 13.236 5.250 1.00 0.00 N ATOM 110 CA PRO A 11 -2.390 11.841 4.941 1.00 0.00 C ATOM 111 C PRO A 11 -3.890 11.622 4.772 1.00 0.00 C ATOM 112 O PRO A 11 -4.332 11.013 3.798 1.00 0.00 O ATOM 113 CB PRO A 11 -1.873 11.076 6.162 1.00 0.00 C ATOM 114 CG PRO A 11 -1.889 12.074 7.269 1.00 0.00 C ATOM 115 CD PRO A 11 -1.584 13.402 6.633 1.00 0.00 C ATOM 0 HA PRO A 11 -1.947 11.517 3.999 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.508 10.220 6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.868 10.690 5.991 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.860 12.092 7.764 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.148 11.826 8.029 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.098 14.218 7.141 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.518 13.628 6.665 1.00 0.00 H new ATOM 123 N ALA A 12 -4.668 12.122 5.726 1.00 0.00 N ATOM 124 CA ALA A 12 -6.118 11.983 5.681 1.00 0.00 C ATOM 125 C ALA A 12 -6.679 12.515 4.367 1.00 0.00 C ATOM 126 O ALA A 12 -7.796 12.176 3.974 1.00 0.00 O ATOM 127 CB ALA A 12 -6.755 12.705 6.859 1.00 0.00 C ATOM 0 H ALA A 12 -4.318 12.627 6.540 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.359 10.922 5.747 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.838 12.593 6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.386 12.277 7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.498 13.764 6.819 1.00 0.00 H new ATOM 133 N LYS A 13 -5.899 13.350 3.690 1.00 0.00 N ATOM 134 CA LYS A 13 -6.317 13.929 2.419 1.00 0.00 C ATOM 135 C LYS A 13 -5.765 13.124 1.247 1.00 0.00 C ATOM 136 O LYS A 13 -6.349 13.109 0.162 1.00 0.00 O ATOM 137 CB LYS A 13 -5.850 15.383 2.318 1.00 0.00 C ATOM 138 CG LYS A 13 -6.389 16.273 3.425 1.00 0.00 C ATOM 139 CD LYS A 13 -7.715 16.904 3.036 1.00 0.00 C ATOM 140 CE LYS A 13 -8.600 17.137 4.251 1.00 0.00 C ATOM 141 NZ LYS A 13 -8.354 18.470 4.868 1.00 0.00 N ATOM 0 H LYS A 13 -4.972 13.641 4.001 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.406 13.900 2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.761 15.408 2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.158 15.789 1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.517 15.687 4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.664 17.056 3.649 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.533 17.852 2.530 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.232 16.258 2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.647 17.060 3.958 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.417 16.356 4.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.274 18.366 5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.471 18.870 4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.145 19.107 4.645 1.00 0.00 H new ATOM 155 N CYS A 14 -4.639 12.457 1.472 1.00 0.00 N ATOM 156 CA CYS A 14 -4.008 11.649 0.434 1.00 0.00 C ATOM 157 C CYS A 14 -4.944 10.540 -0.036 1.00 0.00 C ATOM 158 O CYS A 14 -6.025 10.348 0.521 1.00 0.00 O ATOM 159 CB CYS A 14 -2.702 11.046 0.951 1.00 0.00 C ATOM 160 SG CYS A 14 -1.333 12.223 1.051 1.00 0.00 S ATOM 0 H CYS A 14 -4.144 12.459 2.364 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.789 12.298 -0.414 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.876 10.623 1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.412 10.222 0.299 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.612 13.140 1.929 1.00 0.00 H new ATOM 166 N VAL A 15 -4.522 9.813 -1.065 1.00 0.00 N ATOM 167 CA VAL A 15 -5.322 8.723 -1.611 1.00 0.00 C ATOM 168 C VAL A 15 -4.436 7.624 -2.184 1.00 0.00 C ATOM 169 O VAL A 15 -3.208 7.729 -2.168 1.00 0.00 O ATOM 170 CB VAL A 15 -6.277 9.224 -2.711 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.600 9.669 -2.108 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.633 10.354 -3.500 1.00 0.00 C ATOM 0 H VAL A 15 -3.630 9.959 -1.538 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.910 8.318 -0.787 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.478 8.401 -3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.261 10.020 -2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.065 8.829 -1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.423 10.478 -1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.321 10.696 -4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.401 11.181 -2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.714 9.996 -3.965 1.00 0.00 H new ATOM 182 N LEU A 16 -5.064 6.569 -2.691 1.00 0.00 N ATOM 183 CA LEU A 16 -4.332 5.448 -3.271 1.00 0.00 C ATOM 184 C LEU A 16 -4.868 5.106 -4.657 1.00 0.00 C ATOM 185 O LEU A 16 -6.071 5.189 -4.905 1.00 0.00 O ATOM 186 CB LEU A 16 -4.428 4.224 -2.358 1.00 0.00 C ATOM 187 CG LEU A 16 -3.944 4.418 -0.921 1.00 0.00 C ATOM 188 CD1 LEU A 16 -4.695 3.493 0.025 1.00 0.00 C ATOM 189 CD2 LEU A 16 -2.445 4.178 -0.826 1.00 0.00 C ATOM 0 H LEU A 16 -6.079 6.466 -2.712 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.286 5.740 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.468 3.898 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.853 3.415 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.146 5.448 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.337 3.645 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.762 3.713 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.525 2.457 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.118 4.321 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.219 3.159 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.922 4.882 -1.473 1.00 0.00 H new ATOM 201 N GLN A 17 -3.968 4.721 -5.556 1.00 0.00 N ATOM 202 CA GLN A 17 -4.352 4.365 -6.917 1.00 0.00 C ATOM 203 C GLN A 17 -4.072 2.892 -7.194 1.00 0.00 C ATOM 204 O GLN A 17 -3.185 2.293 -6.588 1.00 0.00 O ATOM 205 CB GLN A 17 -3.602 5.237 -7.925 1.00 0.00 C ATOM 206 CG GLN A 17 -4.024 6.697 -7.899 1.00 0.00 C ATOM 207 CD GLN A 17 -3.802 7.393 -9.227 1.00 0.00 C ATOM 208 OE1 GLN A 17 -2.666 7.559 -9.672 1.00 0.00 O ATOM 209 NE2 GLN A 17 -4.889 7.804 -9.869 1.00 0.00 N ATOM 0 H GLN A 17 -2.968 4.648 -5.367 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.423 4.538 -7.023 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.533 5.173 -7.724 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.762 4.839 -8.927 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.079 6.762 -7.631 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.465 7.219 -7.122 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.811 7.646 -9.463 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.802 8.278 -10.768 1.00 0.00 H new ATOM 218 N GLY A 18 -4.837 2.312 -8.114 1.00 0.00 N ATOM 219 CA GLY A 18 -4.656 0.913 -8.455 1.00 0.00 C ATOM 220 C GLY A 18 -5.962 0.228 -8.807 1.00 0.00 C ATOM 221 O GLY A 18 -6.936 0.316 -8.060 1.00 0.00 O ATOM 0 H GLY A 18 -5.579 2.786 -8.629 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.969 0.834 -9.298 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.192 0.395 -7.616 1.00 0.00 H new ATOM 225 N GLU A 19 -5.982 -0.454 -9.948 1.00 0.00 N ATOM 226 CA GLU A 19 -7.180 -1.154 -10.397 1.00 0.00 C ATOM 227 C GLU A 19 -7.525 -2.303 -9.454 1.00 0.00 C ATOM 228 O GLU A 19 -8.665 -2.434 -9.010 1.00 0.00 O ATOM 229 CB GLU A 19 -6.983 -1.687 -11.818 1.00 0.00 C ATOM 230 CG GLU A 19 -6.648 -0.606 -12.832 1.00 0.00 C ATOM 231 CD GLU A 19 -7.877 0.131 -13.327 1.00 0.00 C ATOM 232 OE1 GLU A 19 -8.353 1.037 -12.612 1.00 0.00 O ATOM 233 OE2 GLU A 19 -8.363 -0.198 -14.429 1.00 0.00 O ATOM 0 H GLU A 19 -5.184 -0.537 -10.577 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.007 -0.444 -10.394 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.183 -2.428 -11.812 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.891 -2.201 -12.134 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.958 0.108 -12.382 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.133 -1.056 -13.680 1.00 0.00 H new ATOM 240 N ASP A 20 -6.531 -3.133 -9.155 1.00 0.00 N ATOM 241 CA ASP A 20 -6.728 -4.271 -8.265 1.00 0.00 C ATOM 242 C ASP A 20 -5.955 -4.083 -6.964 1.00 0.00 C ATOM 243 O ASP A 20 -4.973 -4.782 -6.706 1.00 0.00 O ATOM 244 CB ASP A 20 -6.288 -5.565 -8.952 1.00 0.00 C ATOM 245 CG ASP A 20 -6.483 -5.518 -10.455 1.00 0.00 C ATOM 246 OD1 ASP A 20 -5.670 -4.860 -11.138 1.00 0.00 O ATOM 247 OD2 ASP A 20 -7.448 -6.138 -10.947 1.00 0.00 O ATOM 0 H ASP A 20 -5.582 -3.039 -9.516 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.790 -4.337 -8.029 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.237 -5.751 -8.731 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.853 -6.401 -8.541 1.00 0.00 H new ATOM 252 N LEU A 21 -6.402 -3.136 -6.147 1.00 0.00 N ATOM 253 CA LEU A 21 -5.752 -2.855 -4.872 1.00 0.00 C ATOM 254 C LEU A 21 -6.176 -3.865 -3.810 1.00 0.00 C ATOM 255 O LEU A 21 -5.342 -4.396 -3.075 1.00 0.00 O ATOM 256 CB LEU A 21 -6.088 -1.438 -4.406 1.00 0.00 C ATOM 257 CG LEU A 21 -5.140 -0.334 -4.876 1.00 0.00 C ATOM 258 CD1 LEU A 21 -5.684 1.034 -4.497 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.751 -0.539 -4.290 1.00 0.00 C ATOM 0 H LEU A 21 -7.213 -2.549 -6.345 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.675 -2.937 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.094 -1.194 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.110 -1.431 -3.316 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.065 -0.384 -5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.996 1.807 -4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.657 1.181 -4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.789 1.096 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.090 0.256 -4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.808 -0.517 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.359 -1.503 -4.613 1.00 0.00 H new ATOM 271 N HIS A 22 -7.476 -4.129 -3.737 1.00 0.00 N ATOM 272 CA HIS A 22 -8.011 -5.078 -2.767 1.00 0.00 C ATOM 273 C HIS A 22 -8.007 -6.495 -3.335 1.00 0.00 C ATOM 274 O HIS A 22 -8.799 -7.342 -2.920 1.00 0.00 O ATOM 275 CB HIS A 22 -9.431 -4.682 -2.363 1.00 0.00 C ATOM 276 CG HIS A 22 -9.482 -3.733 -1.205 1.00 0.00 C ATOM 277 ND1 HIS A 22 -9.870 -4.113 0.062 1.00 0.00 N ATOM 278 CD2 HIS A 22 -9.188 -2.414 -1.128 1.00 0.00 C ATOM 279 CE1 HIS A 22 -9.815 -3.068 0.869 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.404 -2.024 0.171 1.00 0.00 N ATOM 0 H HIS A 22 -8.179 -3.699 -4.338 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.372 -5.057 -1.884 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.929 -4.226 -3.218 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.992 -5.582 -2.110 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.847 -1.785 -1.937 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.064 -3.067 1.920 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.269 -1.082 0.537 1.00 0.00 H new ATOM 289 N ARG A 23 -7.113 -6.744 -4.285 1.00 0.00 N ATOM 290 CA ARG A 23 -7.008 -8.057 -4.910 1.00 0.00 C ATOM 291 C ARG A 23 -5.568 -8.351 -5.320 1.00 0.00 C ATOM 292 O ARG A 23 -4.976 -7.619 -6.113 1.00 0.00 O ATOM 293 CB ARG A 23 -7.924 -8.137 -6.133 1.00 0.00 C ATOM 294 CG ARG A 23 -8.437 -9.539 -6.419 1.00 0.00 C ATOM 295 CD ARG A 23 -9.734 -9.820 -5.676 1.00 0.00 C ATOM 296 NE ARG A 23 -10.889 -9.234 -6.351 1.00 0.00 N ATOM 297 CZ ARG A 23 -12.100 -9.164 -5.809 1.00 0.00 C ATOM 298 NH1 ARG A 23 -12.312 -9.641 -4.590 1.00 0.00 N ATOM 299 NH2 ARG A 23 -13.100 -8.616 -6.486 1.00 0.00 N ATOM 0 H ARG A 23 -6.451 -6.054 -4.639 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.319 -8.805 -4.181 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.774 -7.472 -5.984 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.383 -7.772 -7.006 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.597 -9.657 -7.491 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.683 -10.270 -6.127 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.874 -10.897 -5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.665 -9.422 -4.664 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.759 -8.858 -7.290 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.545 -10.063 -4.067 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.242 -9.586 -4.176 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.940 -8.248 -7.424 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.029 -8.563 -6.069 1.00 0.00 H new ATOM 313 N ALA A 24 -5.011 -9.426 -4.773 1.00 0.00 N ATOM 314 CA ALA A 24 -3.641 -9.818 -5.082 1.00 0.00 C ATOM 315 C ALA A 24 -3.565 -11.291 -5.467 1.00 0.00 C ATOM 316 O ALA A 24 -4.515 -12.046 -5.260 1.00 0.00 O ATOM 317 CB ALA A 24 -2.730 -9.531 -3.898 1.00 0.00 C ATOM 0 H ALA A 24 -5.487 -10.041 -4.113 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.304 -9.229 -5.935 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.710 -9.829 -4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.752 -8.465 -3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.074 -10.093 -3.030 1.00 0.00 H new ATOM 323 N ARG A 25 -2.429 -11.694 -6.027 1.00 0.00 N ATOM 324 CA ARG A 25 -2.230 -13.077 -6.443 1.00 0.00 C ATOM 325 C ARG A 25 -0.984 -13.667 -5.789 1.00 0.00 C ATOM 326 O ARG A 25 0.064 -13.025 -5.739 1.00 0.00 O ATOM 327 CB ARG A 25 -2.110 -13.163 -7.965 1.00 0.00 C ATOM 328 CG ARG A 25 -2.120 -14.586 -8.498 1.00 0.00 C ATOM 329 CD ARG A 25 -3.536 -15.066 -8.777 1.00 0.00 C ATOM 330 NE ARG A 25 -3.959 -14.761 -10.141 1.00 0.00 N ATOM 331 CZ ARG A 25 -5.221 -14.822 -10.551 1.00 0.00 C ATOM 332 NH1 ARG A 25 -6.179 -15.175 -9.705 1.00 0.00 N ATOM 333 NH2 ARG A 25 -5.527 -14.530 -11.808 1.00 0.00 N ATOM 0 H ARG A 25 -1.632 -11.082 -6.203 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.097 -13.655 -6.122 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.932 -12.609 -8.418 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.187 -12.674 -8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.530 -14.637 -9.413 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.645 -15.250 -7.775 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.593 -16.142 -8.612 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.223 -14.598 -8.071 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.246 -14.486 -10.816 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.947 -15.400 -8.738 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.147 -15.221 -10.022 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.793 -14.258 -12.462 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.497 -14.577 -12.121 1.00 0.00 H new ATOM 347 N GLU A 26 -1.107 -14.893 -5.290 1.00 0.00 N ATOM 348 CA GLU A 26 0.009 -15.568 -4.639 1.00 0.00 C ATOM 349 C GLU A 26 1.315 -15.297 -5.379 1.00 0.00 C ATOM 350 O GLU A 26 1.342 -15.217 -6.608 1.00 0.00 O ATOM 351 CB GLU A 26 -0.247 -17.075 -4.570 1.00 0.00 C ATOM 352 CG GLU A 26 0.983 -17.885 -4.197 1.00 0.00 C ATOM 353 CD GLU A 26 1.233 -17.913 -2.702 1.00 0.00 C ATOM 354 OE1 GLU A 26 1.149 -16.840 -2.067 1.00 0.00 O ATOM 355 OE2 GLU A 26 1.512 -19.005 -2.166 1.00 0.00 O ATOM 0 H GLU A 26 -1.968 -15.439 -5.324 1.00 0.00 H new ATOM 0 HA GLU A 26 0.097 -15.175 -3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.034 -17.268 -3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.617 -17.417 -5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.865 -18.906 -4.561 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.855 -17.466 -4.699 1.00 0.00 H new ATOM 362 N LYS A 27 2.399 -15.156 -4.623 1.00 0.00 N ATOM 363 CA LYS A 27 3.710 -14.894 -5.205 1.00 0.00 C ATOM 364 C LYS A 27 3.588 -14.027 -6.454 1.00 0.00 C ATOM 365 O LYS A 27 4.151 -14.348 -7.500 1.00 0.00 O ATOM 366 CB LYS A 27 4.409 -16.211 -5.552 1.00 0.00 C ATOM 367 CG LYS A 27 4.989 -16.927 -4.345 1.00 0.00 C ATOM 368 CD LYS A 27 6.440 -16.542 -4.112 1.00 0.00 C ATOM 369 CE LYS A 27 7.373 -17.287 -5.054 1.00 0.00 C ATOM 370 NZ LYS A 27 8.683 -16.594 -5.201 1.00 0.00 N ATOM 0 H LYS A 27 2.395 -15.219 -3.605 1.00 0.00 H new ATOM 0 HA LYS A 27 4.306 -14.356 -4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.697 -16.871 -6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.209 -16.011 -6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.401 -16.685 -3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.917 -18.005 -4.491 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.560 -15.468 -4.254 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.714 -16.760 -3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.537 -18.297 -4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.901 -17.383 -6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.290 -17.133 -5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.530 -15.639 -5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.145 -16.525 -4.272 1.00 0.00 H new ATOM 384 N GLN A 28 2.849 -12.928 -6.336 1.00 0.00 N ATOM 385 CA GLN A 28 2.655 -12.016 -7.457 1.00 0.00 C ATOM 386 C GLN A 28 3.127 -10.609 -7.102 1.00 0.00 C ATOM 387 O GLN A 28 3.009 -10.174 -5.956 1.00 0.00 O ATOM 388 CB GLN A 28 1.181 -11.984 -7.866 1.00 0.00 C ATOM 389 CG GLN A 28 0.951 -11.443 -9.268 1.00 0.00 C ATOM 390 CD GLN A 28 0.986 -9.929 -9.323 1.00 0.00 C ATOM 391 OE1 GLN A 28 0.356 -9.252 -8.510 1.00 0.00 O ATOM 392 NE2 GLN A 28 1.726 -9.388 -10.285 1.00 0.00 N ATOM 0 H GLN A 28 2.376 -12.648 -5.477 1.00 0.00 H new ATOM 0 HA GLN A 28 3.250 -12.379 -8.295 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.773 -12.993 -7.803 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.628 -11.372 -7.154 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.712 -11.845 -9.937 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.014 -11.794 -9.635 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.232 -9.987 -10.937 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.788 -8.374 -10.371 1.00 0.00 H new ATOM 401 N THR A 29 3.662 -9.902 -8.092 1.00 0.00 N ATOM 402 CA THR A 29 4.153 -8.546 -7.884 1.00 0.00 C ATOM 403 C THR A 29 3.028 -7.526 -8.024 1.00 0.00 C ATOM 404 O THR A 29 2.593 -7.217 -9.133 1.00 0.00 O ATOM 405 CB THR A 29 5.275 -8.196 -8.879 1.00 0.00 C ATOM 406 OG1 THR A 29 6.276 -9.219 -8.869 1.00 0.00 O ATOM 407 CG2 THR A 29 5.908 -6.857 -8.532 1.00 0.00 C ATOM 0 H THR A 29 3.766 -10.246 -9.046 1.00 0.00 H new ATOM 0 HA THR A 29 4.551 -8.506 -6.870 1.00 0.00 H new ATOM 0 HB THR A 29 4.838 -8.126 -9.875 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.985 -8.989 -9.506 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.698 -6.631 -9.249 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.149 -6.075 -8.570 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.331 -6.904 -7.529 1.00 0.00 H new ATOM 415 N ALA A 30 2.562 -7.007 -6.893 1.00 0.00 N ATOM 416 CA ALA A 30 1.489 -6.020 -6.891 1.00 0.00 C ATOM 417 C ALA A 30 2.017 -4.637 -6.524 1.00 0.00 C ATOM 418 O ALA A 30 2.493 -4.419 -5.410 1.00 0.00 O ATOM 419 CB ALA A 30 0.388 -6.439 -5.929 1.00 0.00 C ATOM 0 H ALA A 30 2.910 -7.253 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 30 1.075 -5.967 -7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.406 -5.693 -5.938 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.016 -7.403 -6.237 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.797 -6.522 -4.922 1.00 0.00 H new ATOM 425 N SER A 31 1.930 -3.706 -7.468 1.00 0.00 N ATOM 426 CA SER A 31 2.403 -2.344 -7.245 1.00 0.00 C ATOM 427 C SER A 31 1.279 -1.336 -7.467 1.00 0.00 C ATOM 428 O SER A 31 0.371 -1.566 -8.266 1.00 0.00 O ATOM 429 CB SER A 31 3.576 -2.031 -8.175 1.00 0.00 C ATOM 430 OG SER A 31 3.162 -2.016 -9.531 1.00 0.00 O ATOM 0 H SER A 31 1.536 -3.869 -8.395 1.00 0.00 H new ATOM 0 HA SER A 31 2.738 -2.266 -6.211 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.005 -1.064 -7.912 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.361 -2.775 -8.039 1.00 0.00 H new ATOM 0 HG SER A 31 3.897 -1.696 -10.094 1.00 0.00 H new ATOM 436 N PHE A 32 1.348 -0.217 -6.754 1.00 0.00 N ATOM 437 CA PHE A 32 0.337 0.828 -6.870 1.00 0.00 C ATOM 438 C PHE A 32 0.969 2.212 -6.752 1.00 0.00 C ATOM 439 O PHE A 32 2.133 2.346 -6.373 1.00 0.00 O ATOM 440 CB PHE A 32 -0.736 0.651 -5.794 1.00 0.00 C ATOM 441 CG PHE A 32 -0.177 0.326 -4.438 1.00 0.00 C ATOM 442 CD1 PHE A 32 0.301 -0.943 -4.158 1.00 0.00 C ATOM 443 CD2 PHE A 32 -0.132 1.291 -3.444 1.00 0.00 C ATOM 444 CE1 PHE A 32 0.816 -1.245 -2.911 1.00 0.00 C ATOM 445 CE2 PHE A 32 0.382 0.994 -2.196 1.00 0.00 C ATOM 446 CZ PHE A 32 0.856 -0.275 -1.929 1.00 0.00 C ATOM 0 H PHE A 32 2.094 -0.010 -6.089 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.127 0.743 -7.853 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.325 1.566 -5.726 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.416 -0.144 -6.098 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.271 -1.705 -4.922 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.502 2.285 -3.647 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.187 -2.238 -2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.413 1.754 -1.430 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.257 -0.509 -0.954 1.00 0.00 H new ATOM 456 N THR A 33 0.193 3.240 -7.081 1.00 0.00 N ATOM 457 CA THR A 33 0.676 4.614 -7.013 1.00 0.00 C ATOM 458 C THR A 33 0.035 5.365 -5.852 1.00 0.00 C ATOM 459 O THR A 33 -1.176 5.288 -5.642 1.00 0.00 O ATOM 460 CB THR A 33 0.390 5.374 -8.322 1.00 0.00 C ATOM 461 OG1 THR A 33 1.125 4.786 -9.401 1.00 0.00 O ATOM 462 CG2 THR A 33 0.764 6.843 -8.188 1.00 0.00 C ATOM 0 H THR A 33 -0.772 3.147 -7.397 1.00 0.00 H new ATOM 0 HA THR A 33 1.754 4.564 -6.858 1.00 0.00 H new ATOM 0 HB THR A 33 -0.678 5.305 -8.530 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.936 5.274 -10.230 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.553 7.359 -9.125 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.181 7.295 -7.385 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.826 6.929 -7.958 1.00 0.00 H new ATOM 470 N LEU A 34 0.855 6.092 -5.101 1.00 0.00 N ATOM 471 CA LEU A 34 0.368 6.860 -3.959 1.00 0.00 C ATOM 472 C LEU A 34 0.429 8.357 -4.244 1.00 0.00 C ATOM 473 O LEU A 34 1.509 8.927 -4.400 1.00 0.00 O ATOM 474 CB LEU A 34 1.190 6.532 -2.711 1.00 0.00 C ATOM 475 CG LEU A 34 0.937 7.417 -1.490 1.00 0.00 C ATOM 476 CD1 LEU A 34 -0.496 7.261 -1.006 1.00 0.00 C ATOM 477 CD2 LEU A 34 1.918 7.082 -0.376 1.00 0.00 C ATOM 0 H LEU A 34 1.860 6.166 -5.262 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.672 6.585 -3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.993 5.497 -2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.247 6.597 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 34 1.090 8.456 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.658 7.898 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.182 7.551 -1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.677 6.221 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.723 7.722 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.798 6.038 -0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.937 7.246 -0.727 1.00 0.00 H new ATOM 489 N LEU A 35 -0.738 8.989 -4.308 1.00 0.00 N ATOM 490 CA LEU A 35 -0.818 10.422 -4.572 1.00 0.00 C ATOM 491 C LEU A 35 -0.682 11.222 -3.280 1.00 0.00 C ATOM 492 O LEU A 35 -1.151 10.797 -2.223 1.00 0.00 O ATOM 493 CB LEU A 35 -2.142 10.761 -5.258 1.00 0.00 C ATOM 494 CG LEU A 35 -2.418 10.042 -6.579 1.00 0.00 C ATOM 495 CD1 LEU A 35 -3.844 10.297 -7.039 1.00 0.00 C ATOM 496 CD2 LEU A 35 -1.424 10.483 -7.644 1.00 0.00 C ATOM 0 H LEU A 35 -1.641 8.532 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 35 0.006 10.691 -5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.954 10.534 -4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.169 11.835 -5.440 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.297 8.971 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.021 9.777 -7.981 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.541 9.930 -6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.994 11.367 -7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.635 9.961 -8.577 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.512 11.558 -7.801 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.412 10.246 -7.317 1.00 0.00 H new ATOM 508 N CYS A 36 -0.040 12.381 -3.373 1.00 0.00 N ATOM 509 CA CYS A 36 0.157 13.241 -2.212 1.00 0.00 C ATOM 510 C CYS A 36 -0.589 14.561 -2.380 1.00 0.00 C ATOM 511 O CYS A 36 -0.359 15.298 -3.339 1.00 0.00 O ATOM 512 CB CYS A 36 1.647 13.508 -1.995 1.00 0.00 C ATOM 513 SG CYS A 36 2.586 12.058 -1.459 1.00 0.00 S ATOM 0 H CYS A 36 0.353 12.747 -4.240 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.243 12.727 -1.338 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.077 13.883 -2.924 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.759 14.296 -1.250 1.00 0.00 H new ATOM 0 HG CYS A 36 3.392 12.394 -0.496 1.00 0.00 H new ATOM 519 N LYS A 37 -1.485 14.852 -1.443 1.00 0.00 N ATOM 520 CA LYS A 37 -2.266 16.082 -1.487 1.00 0.00 C ATOM 521 C LYS A 37 -1.950 16.970 -0.287 1.00 0.00 C ATOM 522 O LYS A 37 -1.266 16.549 0.646 1.00 0.00 O ATOM 523 CB LYS A 37 -3.762 15.760 -1.516 1.00 0.00 C ATOM 524 CG LYS A 37 -4.252 15.270 -2.868 1.00 0.00 C ATOM 525 CD LYS A 37 -4.114 13.762 -2.998 1.00 0.00 C ATOM 526 CE LYS A 37 -4.096 13.328 -4.455 1.00 0.00 C ATOM 527 NZ LYS A 37 -5.387 13.621 -5.137 1.00 0.00 N ATOM 0 H LYS A 37 -1.688 14.252 -0.643 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.999 16.620 -2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.976 15.001 -0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.323 16.652 -1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.296 15.554 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.684 15.758 -3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.196 13.436 -2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.941 13.274 -2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.286 13.838 -4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.889 12.259 -4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.346 13.280 -6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.161 13.141 -4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.556 14.647 -5.134 1.00 0.00 H new ATOM 541 N ASP A 38 -2.454 18.199 -0.318 1.00 0.00 N ATOM 542 CA ASP A 38 -2.228 19.145 0.768 1.00 0.00 C ATOM 543 C ASP A 38 -3.359 19.081 1.790 1.00 0.00 C ATOM 544 O ASP A 38 -4.342 18.366 1.598 1.00 0.00 O ATOM 545 CB ASP A 38 -2.102 20.567 0.217 1.00 0.00 C ATOM 546 CG ASP A 38 -1.092 20.663 -0.910 1.00 0.00 C ATOM 547 OD1 ASP A 38 -1.478 20.427 -2.073 1.00 0.00 O ATOM 548 OD2 ASP A 38 0.084 20.975 -0.628 1.00 0.00 O ATOM 0 H ASP A 38 -3.022 18.563 -1.083 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.297 18.872 1.266 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.075 20.902 -0.141 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.809 21.241 1.022 1.00 0.00 H new ATOM 553 N ALA A 39 -3.211 19.832 2.877 1.00 0.00 N ATOM 554 CA ALA A 39 -4.221 19.860 3.928 1.00 0.00 C ATOM 555 C ALA A 39 -5.561 20.349 3.389 1.00 0.00 C ATOM 556 O ALA A 39 -6.598 20.172 4.027 1.00 0.00 O ATOM 557 CB ALA A 39 -3.759 20.742 5.079 1.00 0.00 C ATOM 0 H ALA A 39 -2.402 20.428 3.052 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.357 18.843 4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.522 20.754 5.857 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.829 20.348 5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.594 21.757 4.716 1.00 0.00 H new ATOM 563 N ALA A 40 -5.531 20.965 2.212 1.00 0.00 N ATOM 564 CA ALA A 40 -6.744 21.478 1.587 1.00 0.00 C ATOM 565 C ALA A 40 -7.400 20.417 0.710 1.00 0.00 C ATOM 566 O ALA A 40 -8.541 20.575 0.277 1.00 0.00 O ATOM 567 CB ALA A 40 -6.431 22.722 0.770 1.00 0.00 C ATOM 0 H ALA A 40 -4.680 21.121 1.672 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.446 21.744 2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.346 23.094 0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.015 23.490 1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.708 22.474 -0.007 1.00 0.00 H new ATOM 573 N GLY A 41 -6.671 19.336 0.451 1.00 0.00 N ATOM 574 CA GLY A 41 -7.199 18.266 -0.375 1.00 0.00 C ATOM 575 C GLY A 41 -6.946 18.494 -1.852 1.00 0.00 C ATOM 576 O GLY A 41 -7.727 18.057 -2.696 1.00 0.00 O ATOM 0 H GLY A 41 -5.724 19.182 0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.746 17.321 -0.074 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.271 18.174 -0.203 1.00 0.00 H new ATOM 580 N GLU A 42 -5.852 19.181 -2.164 1.00 0.00 N ATOM 581 CA GLU A 42 -5.500 19.469 -3.550 1.00 0.00 C ATOM 582 C GLU A 42 -4.085 18.992 -3.862 1.00 0.00 C ATOM 583 O GLU A 42 -3.248 18.871 -2.967 1.00 0.00 O ATOM 584 CB GLU A 42 -5.618 20.969 -3.829 1.00 0.00 C ATOM 585 CG GLU A 42 -4.500 21.792 -3.213 1.00 0.00 C ATOM 586 CD GLU A 42 -4.888 23.244 -3.010 1.00 0.00 C ATOM 587 OE1 GLU A 42 -4.993 23.975 -4.017 1.00 0.00 O ATOM 588 OE2 GLU A 42 -5.087 23.649 -1.846 1.00 0.00 O ATOM 0 H GLU A 42 -5.194 19.548 -1.476 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.196 18.932 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.625 21.130 -4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.574 21.327 -3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.220 21.357 -2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.620 21.741 -3.855 1.00 0.00 H new ATOM 595 N ILE A 43 -3.825 18.723 -5.137 1.00 0.00 N ATOM 596 CA ILE A 43 -2.512 18.261 -5.568 1.00 0.00 C ATOM 597 C ILE A 43 -1.418 19.234 -5.140 1.00 0.00 C ATOM 598 O ILE A 43 -1.600 20.450 -5.194 1.00 0.00 O ATOM 599 CB ILE A 43 -2.452 18.079 -7.096 1.00 0.00 C ATOM 600 CG1 ILE A 43 -3.627 17.225 -7.576 1.00 0.00 C ATOM 601 CG2 ILE A 43 -1.129 17.447 -7.503 1.00 0.00 C ATOM 602 CD1 ILE A 43 -3.780 15.926 -6.816 1.00 0.00 C ATOM 0 H ILE A 43 -4.507 18.817 -5.890 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.345 17.296 -5.089 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.524 19.059 -7.567 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.547 17.802 -7.482 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.496 17.004 -8.635 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.102 17.325 -8.586 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.307 18.090 -7.190 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.029 16.472 -7.025 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.632 15.372 -7.210 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.875 15.329 -6.930 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.943 16.140 -5.760 1.00 0.00 H new ATOM 614 N MET A 44 -0.282 18.690 -4.716 1.00 0.00 N ATOM 615 CA MET A 44 0.842 19.510 -4.281 1.00 0.00 C ATOM 616 C MET A 44 2.012 19.388 -5.253 1.00 0.00 C ATOM 617 O MET A 44 2.719 20.361 -5.513 1.00 0.00 O ATOM 618 CB MET A 44 1.286 19.101 -2.875 1.00 0.00 C ATOM 619 CG MET A 44 1.834 17.685 -2.799 1.00 0.00 C ATOM 620 SD MET A 44 1.877 17.047 -1.114 1.00 0.00 S ATOM 621 CE MET A 44 2.887 18.287 -0.308 1.00 0.00 C ATOM 0 H MET A 44 -0.116 17.685 -4.665 1.00 0.00 H new ATOM 0 HA MET A 44 0.515 20.550 -4.262 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.050 19.797 -2.527 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.439 19.191 -2.195 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.221 17.029 -3.416 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.841 17.666 -3.216 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.662 17.798 0.283 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.352 18.923 -1.061 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.263 18.896 0.346 1.00 0.00 H new ATOM 631 N GLY A 45 2.210 18.186 -5.786 1.00 0.00 N ATOM 632 CA GLY A 45 3.295 17.960 -6.722 1.00 0.00 C ATOM 633 C GLY A 45 4.659 18.112 -6.077 1.00 0.00 C ATOM 634 O GLY A 45 5.552 18.746 -6.639 1.00 0.00 O ATOM 0 H GLY A 45 1.638 17.365 -5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.205 16.958 -7.143 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.208 18.663 -7.551 1.00 0.00 H new ATOM 638 N ARG A 46 4.819 17.530 -4.892 1.00 0.00 N ATOM 639 CA ARG A 46 6.083 17.606 -4.169 1.00 0.00 C ATOM 640 C ARG A 46 6.570 16.214 -3.777 1.00 0.00 C ATOM 641 O ARG A 46 5.851 15.228 -3.933 1.00 0.00 O ATOM 642 CB ARG A 46 5.927 18.475 -2.919 1.00 0.00 C ATOM 643 CG ARG A 46 5.399 19.870 -3.209 1.00 0.00 C ATOM 644 CD ARG A 46 6.390 20.682 -4.028 1.00 0.00 C ATOM 645 NE ARG A 46 6.099 22.113 -3.977 1.00 0.00 N ATOM 646 CZ ARG A 46 6.342 22.875 -2.916 1.00 0.00 C ATOM 647 NH1 ARG A 46 6.878 22.346 -1.825 1.00 0.00 N ATOM 648 NH2 ARG A 46 6.050 24.169 -2.947 1.00 0.00 N ATOM 0 H ARG A 46 4.090 17.001 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 46 6.824 18.058 -4.828 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.252 17.978 -2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.893 18.558 -2.421 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.454 19.798 -3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.193 20.385 -2.270 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.399 20.504 -3.657 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.367 20.344 -5.064 1.00 0.00 H new ATOM 0 HE ARG A 46 5.687 22.551 -4.801 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.105 21.352 -1.799 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.064 22.933 -1.012 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.639 24.579 -3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.237 24.754 -2.132 1.00 0.00 H new ATOM 662 N GLY A 47 7.796 16.143 -3.267 1.00 0.00 N ATOM 663 CA GLY A 47 8.358 14.868 -2.861 1.00 0.00 C ATOM 664 C GLY A 47 9.259 14.992 -1.649 1.00 0.00 C ATOM 665 O GLY A 47 10.476 15.107 -1.781 1.00 0.00 O ATOM 0 H GLY A 47 8.410 16.946 -3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.549 14.172 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.925 14.444 -3.690 1.00 0.00 H new ATOM 669 N GLY A 48 8.659 14.969 -0.462 1.00 0.00 N ATOM 670 CA GLY A 48 9.430 15.082 0.761 1.00 0.00 C ATOM 671 C GLY A 48 8.674 14.573 1.973 1.00 0.00 C ATOM 672 O GLY A 48 8.613 15.245 3.002 1.00 0.00 O ATOM 0 H GLY A 48 7.652 14.874 -0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.359 14.521 0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.704 16.125 0.919 1.00 0.00 H new ATOM 676 N ASP A 49 8.095 13.384 1.850 1.00 0.00 N ATOM 677 CA ASP A 49 7.338 12.785 2.943 1.00 0.00 C ATOM 678 C ASP A 49 7.888 11.407 3.294 1.00 0.00 C ATOM 679 O ASP A 49 8.686 10.838 2.550 1.00 0.00 O ATOM 680 CB ASP A 49 5.859 12.678 2.569 1.00 0.00 C ATOM 681 CG ASP A 49 5.375 13.874 1.773 1.00 0.00 C ATOM 682 OD1 ASP A 49 6.011 14.944 1.864 1.00 0.00 O ATOM 683 OD2 ASP A 49 4.358 13.740 1.059 1.00 0.00 O ATOM 0 H ASP A 49 8.135 12.816 1.004 1.00 0.00 H new ATOM 0 HA ASP A 49 7.438 13.429 3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.699 11.770 1.988 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.263 12.585 3.477 1.00 0.00 H new ATOM 688 N ASN A 50 7.457 10.875 4.433 1.00 0.00 N ATOM 689 CA ASN A 50 7.907 9.564 4.884 1.00 0.00 C ATOM 690 C ASN A 50 6.783 8.537 4.782 1.00 0.00 C ATOM 691 O ASN A 50 5.869 8.517 5.606 1.00 0.00 O ATOM 692 CB ASN A 50 8.411 9.643 6.327 1.00 0.00 C ATOM 693 CG ASN A 50 8.783 8.282 6.885 1.00 0.00 C ATOM 694 OD1 ASN A 50 9.526 7.525 6.261 1.00 0.00 O ATOM 695 ND2 ASN A 50 8.265 7.966 8.066 1.00 0.00 N ATOM 0 H ASN A 50 6.796 11.332 5.061 1.00 0.00 H new ATOM 0 HA ASN A 50 8.725 9.247 4.237 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.280 10.300 6.370 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.640 10.092 6.954 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.479 7.064 8.492 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.654 8.625 8.548 1.00 0.00 H new ATOM 702 N VAL A 51 6.858 7.685 3.764 1.00 0.00 N ATOM 703 CA VAL A 51 5.849 6.655 3.554 1.00 0.00 C ATOM 704 C VAL A 51 6.227 5.361 4.267 1.00 0.00 C ATOM 705 O VAL A 51 7.399 4.987 4.312 1.00 0.00 O ATOM 706 CB VAL A 51 5.648 6.362 2.055 1.00 0.00 C ATOM 707 CG1 VAL A 51 4.591 5.287 1.857 1.00 0.00 C ATOM 708 CG2 VAL A 51 5.273 7.635 1.310 1.00 0.00 C ATOM 0 H VAL A 51 7.607 7.688 3.072 1.00 0.00 H new ATOM 0 HA VAL A 51 4.917 7.037 3.970 1.00 0.00 H new ATOM 0 HB VAL A 51 6.588 5.992 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.463 5.094 0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.906 4.371 2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.645 5.624 2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.135 7.410 0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.346 8.037 1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.069 8.371 1.423 1.00 0.00 H new ATOM 718 N GLN A 52 5.228 4.683 4.822 1.00 0.00 N ATOM 719 CA GLN A 52 5.457 3.431 5.532 1.00 0.00 C ATOM 720 C GLN A 52 4.541 2.331 5.006 1.00 0.00 C ATOM 721 O GLN A 52 3.319 2.481 4.990 1.00 0.00 O ATOM 722 CB GLN A 52 5.232 3.624 7.033 1.00 0.00 C ATOM 723 CG GLN A 52 6.456 4.144 7.770 1.00 0.00 C ATOM 724 CD GLN A 52 6.262 4.179 9.273 1.00 0.00 C ATOM 725 OE1 GLN A 52 6.008 3.152 9.902 1.00 0.00 O ATOM 726 NE2 GLN A 52 6.379 5.366 9.857 1.00 0.00 N ATOM 0 H GLN A 52 4.253 4.980 4.794 1.00 0.00 H new ATOM 0 HA GLN A 52 6.491 3.130 5.362 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.406 4.320 7.182 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.931 2.673 7.472 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.313 3.514 7.533 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.690 5.147 7.414 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.591 6.192 9.296 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.257 5.452 10.866 1.00 0.00 H new ATOM 735 N VAL A 53 5.139 1.224 4.577 1.00 0.00 N ATOM 736 CA VAL A 53 4.377 0.098 4.050 1.00 0.00 C ATOM 737 C VAL A 53 4.725 -1.192 4.784 1.00 0.00 C ATOM 738 O VAL A 53 5.853 -1.678 4.705 1.00 0.00 O ATOM 739 CB VAL A 53 4.632 -0.097 2.544 1.00 0.00 C ATOM 740 CG1 VAL A 53 3.825 -1.272 2.014 1.00 0.00 C ATOM 741 CG2 VAL A 53 4.301 1.176 1.779 1.00 0.00 C ATOM 0 H VAL A 53 6.149 1.083 4.584 1.00 0.00 H new ATOM 0 HA VAL A 53 3.323 0.329 4.205 1.00 0.00 H new ATOM 0 HB VAL A 53 5.689 -0.318 2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.018 -1.395 0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.115 -2.180 2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.763 -1.084 2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.487 1.021 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.252 1.429 1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.927 1.991 2.141 1.00 0.00 H new ATOM 751 N ALA A 54 3.748 -1.741 5.499 1.00 0.00 N ATOM 752 CA ALA A 54 3.950 -2.977 6.246 1.00 0.00 C ATOM 753 C ALA A 54 2.769 -3.925 6.068 1.00 0.00 C ATOM 754 O ALA A 54 1.679 -3.678 6.586 1.00 0.00 O ATOM 755 CB ALA A 54 4.169 -2.672 7.720 1.00 0.00 C ATOM 0 H ALA A 54 2.809 -1.350 5.577 1.00 0.00 H new ATOM 0 HA ALA A 54 4.839 -3.470 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.318 -3.603 8.266 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.049 -2.039 7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.296 -2.154 8.118 1.00 0.00 H new ATOM 761 N VAL A 55 2.992 -5.009 5.333 1.00 0.00 N ATOM 762 CA VAL A 55 1.945 -5.995 5.088 1.00 0.00 C ATOM 763 C VAL A 55 2.039 -7.153 6.074 1.00 0.00 C ATOM 764 O VAL A 55 3.130 -7.632 6.385 1.00 0.00 O ATOM 765 CB VAL A 55 2.022 -6.549 3.653 1.00 0.00 C ATOM 766 CG1 VAL A 55 0.850 -7.478 3.376 1.00 0.00 C ATOM 767 CG2 VAL A 55 2.062 -5.412 2.644 1.00 0.00 C ATOM 0 H VAL A 55 3.888 -5.227 4.897 1.00 0.00 H new ATOM 0 HA VAL A 55 0.991 -5.485 5.222 1.00 0.00 H new ATOM 0 HB VAL A 55 2.942 -7.124 3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.921 -7.860 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.872 -8.311 4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.085 -6.930 3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.116 -5.822 1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.161 -4.807 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.938 -4.791 2.831 1.00 0.00 H new ATOM 777 N VAL A 56 0.887 -7.600 6.565 1.00 0.00 N ATOM 778 CA VAL A 56 0.839 -8.705 7.515 1.00 0.00 C ATOM 779 C VAL A 56 -0.407 -9.558 7.304 1.00 0.00 C ATOM 780 O VAL A 56 -1.538 -9.076 7.372 1.00 0.00 O ATOM 781 CB VAL A 56 0.858 -8.195 8.969 1.00 0.00 C ATOM 782 CG1 VAL A 56 0.890 -9.362 9.944 1.00 0.00 C ATOM 783 CG2 VAL A 56 2.044 -7.269 9.193 1.00 0.00 C ATOM 0 H VAL A 56 -0.025 -7.214 6.321 1.00 0.00 H new ATOM 0 HA VAL A 56 1.726 -9.313 7.338 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.055 -7.628 9.149 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.903 -8.982 10.966 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.005 -9.982 9.799 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.785 -9.959 9.767 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.042 -6.918 10.225 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.970 -7.809 8.995 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.971 -6.415 8.519 1.00 0.00 H new ATOM 793 N PRO A 57 -0.197 -10.856 7.041 1.00 0.00 N ATOM 794 CA PRO A 57 -1.292 -11.805 6.815 1.00 0.00 C ATOM 795 C PRO A 57 -2.084 -12.089 8.087 1.00 0.00 C ATOM 796 O PRO A 57 -1.517 -12.461 9.114 1.00 0.00 O ATOM 797 CB PRO A 57 -0.573 -13.069 6.340 1.00 0.00 C ATOM 798 CG PRO A 57 0.797 -12.966 6.916 1.00 0.00 C ATOM 799 CD PRO A 57 1.124 -11.498 6.945 1.00 0.00 C ATOM 0 HA PRO A 57 -2.024 -11.422 6.104 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.082 -13.968 6.688 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.542 -13.121 5.252 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.832 -13.394 7.918 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.518 -13.515 6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.757 -11.244 7.795 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.657 -11.187 6.047 1.00 0.00 H new ATOM 807 N LYS A 58 -3.399 -11.912 8.011 1.00 0.00 N ATOM 808 CA LYS A 58 -4.271 -12.151 9.155 1.00 0.00 C ATOM 809 C LYS A 58 -4.093 -13.570 9.688 1.00 0.00 C ATOM 810 O LYS A 58 -4.264 -13.821 10.881 1.00 0.00 O ATOM 811 CB LYS A 58 -5.733 -11.921 8.765 1.00 0.00 C ATOM 812 CG LYS A 58 -6.063 -10.467 8.474 1.00 0.00 C ATOM 813 CD LYS A 58 -7.508 -10.301 8.034 1.00 0.00 C ATOM 814 CE LYS A 58 -8.002 -8.881 8.266 1.00 0.00 C ATOM 815 NZ LYS A 58 -8.133 -8.570 9.716 1.00 0.00 N ATOM 0 H LYS A 58 -3.884 -11.604 7.168 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.997 -11.449 9.942 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.964 -12.521 7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.376 -12.277 9.571 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.882 -9.866 9.365 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.399 -10.091 7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.598 -10.551 6.977 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.139 -11.001 8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.311 -8.176 7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.967 -8.748 7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.797 -7.779 9.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.491 -9.407 10.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.203 -8.306 10.100 1.00 0.00 H new ATOM 829 N ASP A 59 -3.748 -14.492 8.796 1.00 0.00 N ATOM 830 CA ASP A 59 -3.544 -15.885 9.178 1.00 0.00 C ATOM 831 C ASP A 59 -2.305 -16.032 10.055 1.00 0.00 C ATOM 832 O ASP A 59 -2.356 -16.640 11.125 1.00 0.00 O ATOM 833 CB ASP A 59 -3.410 -16.763 7.932 1.00 0.00 C ATOM 834 CG ASP A 59 -4.740 -17.000 7.245 1.00 0.00 C ATOM 835 OD1 ASP A 59 -5.664 -17.520 7.904 1.00 0.00 O ATOM 836 OD2 ASP A 59 -4.857 -16.664 6.048 1.00 0.00 O ATOM 0 H ASP A 59 -3.604 -14.301 7.805 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.413 -16.210 9.751 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.721 -16.291 7.231 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.973 -17.722 8.212 1.00 0.00 H new ATOM 841 N LYS A 60 -1.191 -15.473 9.595 1.00 0.00 N ATOM 842 CA LYS A 60 0.063 -15.542 10.337 1.00 0.00 C ATOM 843 C LYS A 60 0.454 -14.168 10.873 1.00 0.00 C ATOM 844 O LYS A 60 0.589 -13.209 10.112 1.00 0.00 O ATOM 845 CB LYS A 60 1.179 -16.089 9.444 1.00 0.00 C ATOM 846 CG LYS A 60 0.892 -17.475 8.893 1.00 0.00 C ATOM 847 CD LYS A 60 0.920 -18.527 9.989 1.00 0.00 C ATOM 848 CE LYS A 60 2.345 -18.893 10.375 1.00 0.00 C ATOM 849 NZ LYS A 60 2.966 -19.820 9.389 1.00 0.00 N ATOM 0 H LYS A 60 -1.131 -14.967 8.712 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.081 -16.215 11.182 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.337 -15.402 8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.108 -16.119 10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.084 -17.480 8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.629 -17.724 8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.389 -18.155 10.865 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.393 -19.419 9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.945 -17.986 10.449 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.346 -19.358 11.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.930 -20.059 9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.398 -20.689 9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.004 -19.361 8.457 1.00 0.00 H new ATOM 863 N LYS A 61 0.635 -14.080 12.186 1.00 0.00 N ATOM 864 CA LYS A 61 1.013 -12.824 12.824 1.00 0.00 C ATOM 865 C LYS A 61 2.510 -12.570 12.680 1.00 0.00 C ATOM 866 O LYS A 61 2.952 -11.422 12.628 1.00 0.00 O ATOM 867 CB LYS A 61 0.629 -12.845 14.305 1.00 0.00 C ATOM 868 CG LYS A 61 -0.861 -12.683 14.550 1.00 0.00 C ATOM 869 CD LYS A 61 -1.336 -11.285 14.190 1.00 0.00 C ATOM 870 CE LYS A 61 -2.764 -11.044 14.656 1.00 0.00 C ATOM 871 NZ LYS A 61 -2.889 -11.150 16.136 1.00 0.00 N ATOM 0 H LYS A 61 0.526 -14.864 12.830 1.00 0.00 H new ATOM 0 HA LYS A 61 0.476 -12.016 12.327 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.961 -13.786 14.744 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.162 -12.047 14.821 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.410 -13.418 13.961 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.083 -12.885 15.598 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.675 -10.547 14.644 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.276 -11.146 13.111 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.089 -10.055 14.334 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.428 -11.768 14.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.771 -10.693 16.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.904 -12.153 16.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.079 -10.679 16.587 1.00 0.00 H new ATOM 885 N ASP A 62 3.285 -13.647 12.614 1.00 0.00 N ATOM 886 CA ASP A 62 4.733 -13.540 12.473 1.00 0.00 C ATOM 887 C ASP A 62 5.134 -13.508 11.001 1.00 0.00 C ATOM 888 O ASP A 62 5.695 -12.523 10.522 1.00 0.00 O ATOM 889 CB ASP A 62 5.423 -14.710 13.177 1.00 0.00 C ATOM 890 CG ASP A 62 5.001 -14.842 14.627 1.00 0.00 C ATOM 891 OD1 ASP A 62 4.997 -13.817 15.340 1.00 0.00 O ATOM 892 OD2 ASP A 62 4.675 -15.971 15.049 1.00 0.00 O ATOM 0 H ASP A 62 2.935 -14.604 12.656 1.00 0.00 H new ATOM 0 HA ASP A 62 5.051 -12.607 12.939 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.193 -15.635 12.649 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.503 -14.575 13.127 1.00 0.00 H new ATOM 897 N SER A 63 4.844 -14.593 10.290 1.00 0.00 N ATOM 898 CA SER A 63 5.179 -14.691 8.874 1.00 0.00 C ATOM 899 C SER A 63 5.051 -13.333 8.190 1.00 0.00 C ATOM 900 O SER A 63 3.964 -12.908 7.798 1.00 0.00 O ATOM 901 CB SER A 63 4.273 -15.711 8.183 1.00 0.00 C ATOM 902 OG SER A 63 4.727 -15.991 6.870 1.00 0.00 O ATOM 0 H SER A 63 4.378 -15.416 10.671 1.00 0.00 H new ATOM 0 HA SER A 63 6.214 -15.023 8.793 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.246 -16.632 8.766 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.253 -15.329 8.144 1.00 0.00 H new ATOM 0 HG SER A 63 4.131 -16.647 6.451 1.00 0.00 H new ATOM 908 N PRO A 64 6.187 -12.636 8.043 1.00 0.00 N ATOM 909 CA PRO A 64 6.229 -11.317 7.406 1.00 0.00 C ATOM 910 C PRO A 64 5.963 -11.388 5.906 1.00 0.00 C ATOM 911 O PRO A 64 5.791 -12.471 5.347 1.00 0.00 O ATOM 912 CB PRO A 64 7.658 -10.839 7.673 1.00 0.00 C ATOM 913 CG PRO A 64 8.449 -12.089 7.847 1.00 0.00 C ATOM 914 CD PRO A 64 7.518 -13.082 8.486 1.00 0.00 C ATOM 0 HA PRO A 64 5.461 -10.651 7.799 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.037 -10.243 6.843 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.706 -10.213 8.564 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.814 -12.457 6.888 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.323 -11.914 8.474 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.730 -14.100 8.159 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.604 -13.072 9.573 1.00 0.00 H new ATOM 922 N VAL A 65 5.930 -10.227 5.259 1.00 0.00 N ATOM 923 CA VAL A 65 5.686 -10.159 3.823 1.00 0.00 C ATOM 924 C VAL A 65 6.731 -9.292 3.129 1.00 0.00 C ATOM 925 O VAL A 65 7.169 -8.277 3.671 1.00 0.00 O ATOM 926 CB VAL A 65 4.285 -9.598 3.518 1.00 0.00 C ATOM 927 CG1 VAL A 65 4.064 -9.499 2.016 1.00 0.00 C ATOM 928 CG2 VAL A 65 3.213 -10.460 4.167 1.00 0.00 C ATOM 0 H VAL A 65 6.069 -9.321 5.707 1.00 0.00 H new ATOM 0 HA VAL A 65 5.752 -11.178 3.442 1.00 0.00 H new ATOM 0 HB VAL A 65 4.216 -8.595 3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.069 -9.101 1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.812 -8.836 1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.153 -10.489 1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.229 -10.049 3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.279 -11.476 3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.361 -10.473 5.247 1.00 0.00 H new ATOM 938 N ARG A 66 7.125 -9.699 1.927 1.00 0.00 N ATOM 939 CA ARG A 66 8.120 -8.960 1.159 1.00 0.00 C ATOM 940 C ARG A 66 7.532 -7.660 0.616 1.00 0.00 C ATOM 941 O ARG A 66 6.763 -7.667 -0.346 1.00 0.00 O ATOM 942 CB ARG A 66 8.643 -9.816 0.004 1.00 0.00 C ATOM 943 CG ARG A 66 9.464 -11.012 0.456 1.00 0.00 C ATOM 944 CD ARG A 66 9.344 -12.172 -0.520 1.00 0.00 C ATOM 945 NE ARG A 66 10.280 -12.049 -1.634 1.00 0.00 N ATOM 946 CZ ARG A 66 11.592 -12.218 -1.514 1.00 0.00 C ATOM 947 NH1 ARG A 66 12.120 -12.517 -0.335 1.00 0.00 N ATOM 948 NH2 ARG A 66 12.379 -12.090 -2.574 1.00 0.00 N ATOM 0 H ARG A 66 6.771 -10.536 1.464 1.00 0.00 H new ATOM 0 HA ARG A 66 8.947 -8.715 1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.798 -10.169 -0.587 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.253 -9.194 -0.651 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.510 -10.721 0.550 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.131 -11.331 1.444 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.528 -13.109 0.006 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.326 -12.217 -0.906 1.00 0.00 H new ATOM 0 HE ARG A 66 9.906 -11.821 -2.555 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.518 -12.618 0.482 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.128 -12.646 -0.246 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.977 -11.861 -3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.386 -12.220 -2.480 1.00 0.00 H new ATOM 962 N THR A 67 7.898 -6.545 1.240 1.00 0.00 N ATOM 963 CA THR A 67 7.406 -5.238 0.822 1.00 0.00 C ATOM 964 C THR A 67 8.552 -4.336 0.379 1.00 0.00 C ATOM 965 O THR A 67 9.673 -4.454 0.871 1.00 0.00 O ATOM 966 CB THR A 67 6.628 -4.542 1.955 1.00 0.00 C ATOM 967 OG1 THR A 67 7.357 -4.640 3.183 1.00 0.00 O ATOM 968 CG2 THR A 67 5.250 -5.165 2.127 1.00 0.00 C ATOM 0 H THR A 67 8.534 -6.521 2.037 1.00 0.00 H new ATOM 0 HA THR A 67 6.734 -5.407 -0.019 1.00 0.00 H new ATOM 0 HB THR A 67 6.505 -3.492 1.689 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.856 -4.194 3.897 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.719 -4.657 2.932 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.686 -5.063 1.200 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.356 -6.222 2.372 1.00 0.00 H new ATOM 976 N MET A 68 8.261 -3.433 -0.552 1.00 0.00 N ATOM 977 CA MET A 68 9.268 -2.509 -1.060 1.00 0.00 C ATOM 978 C MET A 68 8.646 -1.156 -1.392 1.00 0.00 C ATOM 979 O MET A 68 7.468 -1.072 -1.740 1.00 0.00 O ATOM 980 CB MET A 68 9.946 -3.090 -2.302 1.00 0.00 C ATOM 981 CG MET A 68 11.384 -2.634 -2.480 1.00 0.00 C ATOM 982 SD MET A 68 12.340 -3.742 -3.534 1.00 0.00 S ATOM 983 CE MET A 68 12.627 -5.110 -2.415 1.00 0.00 C ATOM 0 H MET A 68 7.337 -3.322 -0.969 1.00 0.00 H new ATOM 0 HA MET A 68 10.017 -2.364 -0.281 1.00 0.00 H new ATOM 0 HB2 MET A 68 9.924 -4.178 -2.242 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.372 -2.807 -3.185 1.00 0.00 H new ATOM 0 HG2 MET A 68 11.393 -1.633 -2.910 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.863 -2.565 -1.503 1.00 0.00 H new ATOM 0 HE1 MET A 68 13.690 -5.352 -2.401 1.00 0.00 H new ATOM 0 HE2 MET A 68 12.305 -4.833 -1.411 1.00 0.00 H new ATOM 0 HE3 MET A 68 12.062 -5.979 -2.751 1.00 0.00 H new ATOM 993 N VAL A 69 9.445 -0.099 -1.282 1.00 0.00 N ATOM 994 CA VAL A 69 8.973 1.250 -1.571 1.00 0.00 C ATOM 995 C VAL A 69 10.060 2.080 -2.244 1.00 0.00 C ATOM 996 O VAL A 69 11.107 2.345 -1.653 1.00 0.00 O ATOM 997 CB VAL A 69 8.511 1.969 -0.290 1.00 0.00 C ATOM 998 CG1 VAL A 69 9.655 2.071 0.707 1.00 0.00 C ATOM 999 CG2 VAL A 69 7.960 3.347 -0.623 1.00 0.00 C ATOM 0 H VAL A 69 10.422 -0.151 -0.995 1.00 0.00 H new ATOM 0 HA VAL A 69 8.125 1.151 -2.248 1.00 0.00 H new ATOM 0 HB VAL A 69 7.713 1.384 0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.310 2.582 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.000 1.071 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.476 2.634 0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.638 3.841 0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.736 3.943 -1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.110 3.246 -1.298 1.00 0.00 H new ATOM 1009 N GLN A 70 9.804 2.488 -3.483 1.00 0.00 N ATOM 1010 CA GLN A 70 10.761 3.289 -4.236 1.00 0.00 C ATOM 1011 C GLN A 70 10.408 4.771 -4.163 1.00 0.00 C ATOM 1012 O GLN A 70 9.381 5.201 -4.688 1.00 0.00 O ATOM 1013 CB GLN A 70 10.802 2.834 -5.696 1.00 0.00 C ATOM 1014 CG GLN A 70 12.122 3.132 -6.389 1.00 0.00 C ATOM 1015 CD GLN A 70 12.621 4.536 -6.114 1.00 0.00 C ATOM 1016 OE1 GLN A 70 11.985 5.520 -6.495 1.00 0.00 O ATOM 1017 NE2 GLN A 70 13.766 4.638 -5.449 1.00 0.00 N ATOM 0 H GLN A 70 8.942 2.277 -3.986 1.00 0.00 H new ATOM 0 HA GLN A 70 11.745 3.146 -3.790 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.612 1.761 -5.739 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.996 3.322 -6.243 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.872 2.413 -6.059 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.002 2.997 -7.464 1.00 0.00 H new ATOM 0 HE21 GLN A 70 14.260 3.796 -5.152 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.151 5.558 -5.235 1.00 0.00 H new ATOM 1026 N ASP A 71 11.266 5.546 -3.509 1.00 0.00 N ATOM 1027 CA ASP A 71 11.045 6.981 -3.368 1.00 0.00 C ATOM 1028 C ASP A 71 11.421 7.718 -4.650 1.00 0.00 C ATOM 1029 O ASP A 71 12.589 7.756 -5.035 1.00 0.00 O ATOM 1030 CB ASP A 71 11.856 7.530 -2.193 1.00 0.00 C ATOM 1031 CG ASP A 71 11.309 8.846 -1.677 1.00 0.00 C ATOM 1032 OD1 ASP A 71 10.540 9.498 -2.413 1.00 0.00 O ATOM 1033 OD2 ASP A 71 11.651 9.225 -0.536 1.00 0.00 O ATOM 0 H ASP A 71 12.120 5.205 -3.068 1.00 0.00 H new ATOM 0 HA ASP A 71 9.984 7.143 -3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.859 6.799 -1.384 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.892 7.667 -2.503 1.00 0.00 H new ATOM 1038 N ASN A 72 10.423 8.300 -5.306 1.00 0.00 N ATOM 1039 CA ASN A 72 10.649 9.034 -6.546 1.00 0.00 C ATOM 1040 C ASN A 72 10.722 10.535 -6.283 1.00 0.00 C ATOM 1041 O ASN A 72 11.461 11.258 -6.952 1.00 0.00 O ATOM 1042 CB ASN A 72 9.534 8.734 -7.550 1.00 0.00 C ATOM 1043 CG ASN A 72 9.715 7.390 -8.230 1.00 0.00 C ATOM 1044 OD1 ASN A 72 10.642 7.200 -9.017 1.00 0.00 O ATOM 1045 ND2 ASN A 72 8.827 6.451 -7.928 1.00 0.00 N ATOM 0 H ASN A 72 9.450 8.278 -5.000 1.00 0.00 H new ATOM 0 HA ASN A 72 11.602 8.710 -6.964 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.572 8.752 -7.037 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.507 9.520 -8.305 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.897 5.527 -8.354 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.075 6.653 -7.270 1.00 0.00 H new ATOM 1052 N LYS A 73 9.950 10.998 -5.305 1.00 0.00 N ATOM 1053 CA LYS A 73 9.928 12.412 -4.952 1.00 0.00 C ATOM 1054 C LYS A 73 9.444 13.258 -6.125 1.00 0.00 C ATOM 1055 O LYS A 73 9.861 14.405 -6.289 1.00 0.00 O ATOM 1056 CB LYS A 73 11.321 12.872 -4.517 1.00 0.00 C ATOM 1057 CG LYS A 73 11.917 12.035 -3.399 1.00 0.00 C ATOM 1058 CD LYS A 73 12.680 10.839 -3.944 1.00 0.00 C ATOM 1059 CE LYS A 73 13.805 10.422 -3.009 1.00 0.00 C ATOM 1060 NZ LYS A 73 14.932 11.395 -3.030 1.00 0.00 N ATOM 0 H LYS A 73 9.331 10.414 -4.743 1.00 0.00 H new ATOM 0 HA LYS A 73 9.234 12.543 -4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.989 12.842 -5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.266 13.911 -4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.586 12.652 -2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.122 11.690 -2.738 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.995 10.003 -4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.091 11.084 -4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.420 10.334 -1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.171 9.436 -3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.780 10.953 -2.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.127 11.679 -4.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.677 12.234 -2.471 1.00 0.00 H new ATOM 1074 N ASP A 74 8.563 12.686 -6.938 1.00 0.00 N ATOM 1075 CA ASP A 74 8.020 13.389 -8.095 1.00 0.00 C ATOM 1076 C ASP A 74 6.509 13.557 -7.969 1.00 0.00 C ATOM 1077 O ASP A 74 5.795 13.610 -8.970 1.00 0.00 O ATOM 1078 CB ASP A 74 8.357 12.634 -9.381 1.00 0.00 C ATOM 1079 CG ASP A 74 9.765 12.918 -9.867 1.00 0.00 C ATOM 1080 OD1 ASP A 74 10.143 14.106 -9.930 1.00 0.00 O ATOM 1081 OD2 ASP A 74 10.489 11.951 -10.185 1.00 0.00 O ATOM 0 H ASP A 74 8.209 11.737 -6.817 1.00 0.00 H new ATOM 0 HA ASP A 74 8.475 14.379 -8.135 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.244 11.563 -9.211 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.645 12.910 -10.158 1.00 0.00 H new ATOM 1086 N GLY A 75 6.028 13.638 -6.732 1.00 0.00 N ATOM 1087 CA GLY A 75 4.605 13.797 -6.499 1.00 0.00 C ATOM 1088 C GLY A 75 3.931 12.495 -6.114 1.00 0.00 C ATOM 1089 O GLY A 75 2.983 12.486 -5.328 1.00 0.00 O ATOM 0 H GLY A 75 6.599 13.596 -5.888 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.449 14.531 -5.708 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.135 14.194 -7.399 1.00 0.00 H new ATOM 1093 N THR A 76 4.420 11.391 -6.669 1.00 0.00 N ATOM 1094 CA THR A 76 3.858 10.077 -6.382 1.00 0.00 C ATOM 1095 C THR A 76 4.945 9.092 -5.968 1.00 0.00 C ATOM 1096 O THR A 76 6.135 9.360 -6.134 1.00 0.00 O ATOM 1097 CB THR A 76 3.104 9.510 -7.600 1.00 0.00 C ATOM 1098 OG1 THR A 76 4.031 9.174 -8.637 1.00 0.00 O ATOM 1099 CG2 THR A 76 2.091 10.516 -8.125 1.00 0.00 C ATOM 0 H THR A 76 5.205 11.381 -7.320 1.00 0.00 H new ATOM 0 HA THR A 76 3.157 10.207 -5.558 1.00 0.00 H new ATOM 0 HB THR A 76 2.572 8.613 -7.285 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.544 8.813 -9.407 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.571 10.094 -8.985 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.369 10.748 -7.342 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.606 11.428 -8.425 1.00 0.00 H new ATOM 1107 N TYR A 77 4.529 7.951 -5.430 1.00 0.00 N ATOM 1108 CA TYR A 77 5.468 6.926 -4.991 1.00 0.00 C ATOM 1109 C TYR A 77 5.201 5.602 -5.700 1.00 0.00 C ATOM 1110 O TYR A 77 4.142 5.408 -6.298 1.00 0.00 O ATOM 1111 CB TYR A 77 5.375 6.734 -3.476 1.00 0.00 C ATOM 1112 CG TYR A 77 6.146 7.768 -2.686 1.00 0.00 C ATOM 1113 CD1 TYR A 77 5.626 9.039 -2.475 1.00 0.00 C ATOM 1114 CD2 TYR A 77 7.394 7.473 -2.152 1.00 0.00 C ATOM 1115 CE1 TYR A 77 6.327 9.987 -1.754 1.00 0.00 C ATOM 1116 CE2 TYR A 77 8.102 8.414 -1.429 1.00 0.00 C ATOM 1117 CZ TYR A 77 7.564 9.669 -1.233 1.00 0.00 C ATOM 1118 OH TYR A 77 8.267 10.610 -0.515 1.00 0.00 O ATOM 0 H TYR A 77 3.548 7.713 -5.287 1.00 0.00 H new ATOM 0 HA TYR A 77 6.474 7.258 -5.247 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.327 6.768 -3.178 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.747 5.742 -3.220 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.657 9.290 -2.881 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.818 6.492 -2.304 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.909 10.971 -1.599 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.071 8.168 -1.020 1.00 0.00 H new ATOM 0 HH TYR A 77 8.207 10.404 0.441 1.00 0.00 H new ATOM 1128 N TYR A 78 6.167 4.694 -5.628 1.00 0.00 N ATOM 1129 CA TYR A 78 6.039 3.388 -6.263 1.00 0.00 C ATOM 1130 C TYR A 78 6.247 2.266 -5.251 1.00 0.00 C ATOM 1131 O TYR A 78 7.379 1.882 -4.958 1.00 0.00 O ATOM 1132 CB TYR A 78 7.046 3.252 -7.406 1.00 0.00 C ATOM 1133 CG TYR A 78 6.730 2.125 -8.362 1.00 0.00 C ATOM 1134 CD1 TYR A 78 5.435 1.923 -8.825 1.00 0.00 C ATOM 1135 CD2 TYR A 78 7.724 1.260 -8.801 1.00 0.00 C ATOM 1136 CE1 TYR A 78 5.141 0.894 -9.698 1.00 0.00 C ATOM 1137 CE2 TYR A 78 7.439 0.228 -9.675 1.00 0.00 C ATOM 1138 CZ TYR A 78 6.146 0.049 -10.120 1.00 0.00 C ATOM 1139 OH TYR A 78 5.858 -0.978 -10.990 1.00 0.00 O ATOM 0 H TYR A 78 7.049 4.838 -5.136 1.00 0.00 H new ATOM 0 HA TYR A 78 5.029 3.306 -6.665 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.081 4.189 -7.962 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.039 3.093 -6.986 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.645 2.582 -8.496 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.737 1.396 -8.453 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.129 0.752 -10.048 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.224 -0.435 -10.008 1.00 0.00 H new ATOM 0 HH TYR A 78 6.677 -1.478 -11.188 1.00 0.00 H new ATOM 1149 N ILE A 79 5.146 1.746 -4.720 1.00 0.00 N ATOM 1150 CA ILE A 79 5.206 0.667 -3.741 1.00 0.00 C ATOM 1151 C ILE A 79 4.967 -0.687 -4.400 1.00 0.00 C ATOM 1152 O ILE A 79 4.165 -0.805 -5.327 1.00 0.00 O ATOM 1153 CB ILE A 79 4.173 0.868 -2.617 1.00 0.00 C ATOM 1154 CG1 ILE A 79 4.422 2.194 -1.896 1.00 0.00 C ATOM 1155 CG2 ILE A 79 4.226 -0.293 -1.635 1.00 0.00 C ATOM 1156 CD1 ILE A 79 3.178 2.787 -1.274 1.00 0.00 C ATOM 0 H ILE A 79 4.201 2.054 -4.951 1.00 0.00 H new ATOM 0 HA ILE A 79 6.207 0.687 -3.310 1.00 0.00 H new ATOM 0 HB ILE A 79 3.178 0.899 -3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.169 2.040 -1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.841 2.910 -2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.490 -0.136 -0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.004 -1.223 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.222 -0.353 -1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.430 3.726 -0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.436 2.973 -2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.770 2.090 -0.542 1.00 0.00 H new ATOM 1168 N SER A 80 5.667 -1.708 -3.915 1.00 0.00 N ATOM 1169 CA SER A 80 5.532 -3.054 -4.458 1.00 0.00 C ATOM 1170 C SER A 80 5.608 -4.098 -3.348 1.00 0.00 C ATOM 1171 O SER A 80 6.369 -3.949 -2.391 1.00 0.00 O ATOM 1172 CB SER A 80 6.623 -3.319 -5.498 1.00 0.00 C ATOM 1173 OG SER A 80 6.224 -2.868 -6.781 1.00 0.00 O ATOM 0 H SER A 80 6.333 -1.628 -3.147 1.00 0.00 H new ATOM 0 HA SER A 80 4.556 -3.129 -4.938 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.543 -2.815 -5.202 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.842 -4.386 -5.536 1.00 0.00 H new ATOM 0 HG SER A 80 6.938 -3.047 -7.427 1.00 0.00 H new ATOM 1179 N TYR A 81 4.814 -5.154 -3.482 1.00 0.00 N ATOM 1180 CA TYR A 81 4.789 -6.222 -2.490 1.00 0.00 C ATOM 1181 C TYR A 81 4.535 -7.574 -3.151 1.00 0.00 C ATOM 1182 O TYR A 81 3.781 -7.673 -4.120 1.00 0.00 O ATOM 1183 CB TYR A 81 3.712 -5.946 -1.440 1.00 0.00 C ATOM 1184 CG TYR A 81 2.302 -6.088 -1.966 1.00 0.00 C ATOM 1185 CD1 TYR A 81 1.681 -7.330 -2.019 1.00 0.00 C ATOM 1186 CD2 TYR A 81 1.590 -4.981 -2.411 1.00 0.00 C ATOM 1187 CE1 TYR A 81 0.393 -7.465 -2.500 1.00 0.00 C ATOM 1188 CE2 TYR A 81 0.301 -5.106 -2.891 1.00 0.00 C ATOM 1189 CZ TYR A 81 -0.293 -6.350 -2.934 1.00 0.00 C ATOM 1190 OH TYR A 81 -1.576 -6.480 -3.414 1.00 0.00 O ATOM 0 H TYR A 81 4.179 -5.293 -4.268 1.00 0.00 H new ATOM 0 HA TYR A 81 5.763 -6.253 -2.003 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.849 -6.630 -0.603 1.00 0.00 H new ATOM 0 HB3 TYR A 81 3.846 -4.936 -1.051 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.215 -8.205 -1.678 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.053 -4.006 -2.381 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.074 -8.438 -2.536 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.239 -4.234 -3.231 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.917 -5.600 -3.678 1.00 0.00 H new ATOM 1200 N THR A 82 5.170 -8.614 -2.620 1.00 0.00 N ATOM 1201 CA THR A 82 5.014 -9.960 -3.157 1.00 0.00 C ATOM 1202 C THR A 82 4.687 -10.958 -2.052 1.00 0.00 C ATOM 1203 O THR A 82 5.547 -11.356 -1.267 1.00 0.00 O ATOM 1204 CB THR A 82 6.288 -10.423 -3.890 1.00 0.00 C ATOM 1205 OG1 THR A 82 6.703 -9.424 -4.829 1.00 0.00 O ATOM 1206 CG2 THR A 82 6.047 -11.739 -4.614 1.00 0.00 C ATOM 0 H THR A 82 5.797 -8.550 -1.818 1.00 0.00 H new ATOM 0 HA THR A 82 4.188 -9.924 -3.867 1.00 0.00 H new ATOM 0 HB THR A 82 7.073 -10.573 -3.149 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.514 -9.725 -5.290 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.960 -12.046 -5.124 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.760 -12.504 -3.893 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.248 -11.611 -5.345 1.00 0.00 H new ATOM 1214 N PRO A 83 3.413 -11.374 -1.988 1.00 0.00 N ATOM 1215 CA PRO A 83 2.943 -12.332 -0.983 1.00 0.00 C ATOM 1216 C PRO A 83 3.492 -13.735 -1.219 1.00 0.00 C ATOM 1217 O PRO A 83 3.613 -14.182 -2.360 1.00 0.00 O ATOM 1218 CB PRO A 83 1.423 -12.315 -1.162 1.00 0.00 C ATOM 1219 CG PRO A 83 1.211 -11.889 -2.573 1.00 0.00 C ATOM 1220 CD PRO A 83 2.334 -10.940 -2.892 1.00 0.00 C ATOM 0 HA PRO A 83 3.271 -12.064 0.021 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.992 -13.299 -0.977 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.950 -11.623 -0.465 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.222 -12.747 -3.246 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.243 -11.402 -2.693 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.634 -11.009 -3.938 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.049 -9.904 -2.710 1.00 0.00 H new ATOM 1228 N LYS A 84 3.822 -14.426 -0.134 1.00 0.00 N ATOM 1229 CA LYS A 84 4.356 -15.780 -0.221 1.00 0.00 C ATOM 1230 C LYS A 84 3.230 -16.809 -0.254 1.00 0.00 C ATOM 1231 O LYS A 84 3.272 -17.762 -1.030 1.00 0.00 O ATOM 1232 CB LYS A 84 5.285 -16.062 0.962 1.00 0.00 C ATOM 1233 CG LYS A 84 6.669 -15.456 0.807 1.00 0.00 C ATOM 1234 CD LYS A 84 7.574 -16.342 -0.032 1.00 0.00 C ATOM 1235 CE LYS A 84 8.298 -17.369 0.824 1.00 0.00 C ATOM 1236 NZ LYS A 84 9.482 -16.783 1.512 1.00 0.00 N ATOM 0 H LYS A 84 3.729 -14.070 0.817 1.00 0.00 H new ATOM 0 HA LYS A 84 4.924 -15.860 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.828 -15.674 1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.382 -17.140 1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.587 -14.474 0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.114 -15.307 1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.982 -16.852 -0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.303 -15.725 -0.557 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.610 -17.773 1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.617 -18.203 0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.948 -17.515 2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.151 -16.420 0.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.175 -16.004 2.129 1.00 0.00 H new ATOM 1250 N GLU A 85 2.226 -16.606 0.593 1.00 0.00 N ATOM 1251 CA GLU A 85 1.089 -17.517 0.659 1.00 0.00 C ATOM 1252 C GLU A 85 -0.222 -16.767 0.440 1.00 0.00 C ATOM 1253 O GLU A 85 -0.335 -15.571 0.708 1.00 0.00 O ATOM 1254 CB GLU A 85 1.059 -18.233 2.011 1.00 0.00 C ATOM 1255 CG GLU A 85 2.223 -19.187 2.220 1.00 0.00 C ATOM 1256 CD GLU A 85 2.107 -19.975 3.511 1.00 0.00 C ATOM 1257 OE1 GLU A 85 1.709 -19.382 4.535 1.00 0.00 O ATOM 1258 OE2 GLU A 85 2.413 -21.186 3.495 1.00 0.00 O ATOM 0 H GLU A 85 2.177 -15.821 1.242 1.00 0.00 H new ATOM 0 HA GLU A 85 1.202 -18.257 -0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.063 -17.489 2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.125 -18.788 2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.276 -19.879 1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.155 -18.621 2.226 1.00 0.00 H new ATOM 1265 N PRO A 86 -1.238 -17.486 -0.061 1.00 0.00 N ATOM 1266 CA PRO A 86 -2.559 -16.911 -0.328 1.00 0.00 C ATOM 1267 C PRO A 86 -3.309 -16.561 0.953 1.00 0.00 C ATOM 1268 O PRO A 86 -2.862 -16.883 2.053 1.00 0.00 O ATOM 1269 CB PRO A 86 -3.285 -18.025 -1.085 1.00 0.00 C ATOM 1270 CG PRO A 86 -2.613 -19.281 -0.647 1.00 0.00 C ATOM 1271 CD PRO A 86 -1.175 -18.917 -0.403 1.00 0.00 C ATOM 0 HA PRO A 86 -2.491 -15.975 -0.882 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.348 -18.040 -0.844 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.205 -17.888 -2.163 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.075 -19.676 0.258 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.696 -20.055 -1.410 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.744 -19.505 0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.561 -19.092 -1.286 1.00 0.00 H new ATOM 1279 N GLY A 87 -4.453 -15.900 0.802 1.00 0.00 N ATOM 1280 CA GLY A 87 -5.246 -15.518 1.956 1.00 0.00 C ATOM 1281 C GLY A 87 -5.446 -14.018 2.051 1.00 0.00 C ATOM 1282 O GLY A 87 -5.034 -13.272 1.163 1.00 0.00 O ATOM 0 H GLY A 87 -4.844 -15.623 -0.098 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.218 -16.008 1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.758 -15.875 2.863 1.00 0.00 H new ATOM 1286 N VAL A 88 -6.082 -13.575 3.131 1.00 0.00 N ATOM 1287 CA VAL A 88 -6.337 -12.154 3.338 1.00 0.00 C ATOM 1288 C VAL A 88 -5.166 -11.484 4.049 1.00 0.00 C ATOM 1289 O VAL A 88 -4.601 -12.038 4.993 1.00 0.00 O ATOM 1290 CB VAL A 88 -7.620 -11.929 4.161 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -7.470 -12.516 5.556 1.00 0.00 C ATOM 1292 CG2 VAL A 88 -7.953 -10.446 4.230 1.00 0.00 C ATOM 0 H VAL A 88 -6.430 -14.179 3.876 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.463 -11.707 2.352 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.444 -12.441 3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.386 -12.347 6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.281 -13.587 5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.635 -12.035 6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.862 -10.304 4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.130 -9.910 4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.106 -10.060 3.222 1.00 0.00 H new ATOM 1302 N TYR A 89 -4.808 -10.291 3.591 1.00 0.00 N ATOM 1303 CA TYR A 89 -3.703 -9.545 4.181 1.00 0.00 C ATOM 1304 C TYR A 89 -4.146 -8.142 4.584 1.00 0.00 C ATOM 1305 O TYR A 89 -5.247 -7.704 4.247 1.00 0.00 O ATOM 1306 CB TYR A 89 -2.534 -9.460 3.198 1.00 0.00 C ATOM 1307 CG TYR A 89 -1.761 -10.753 3.064 1.00 0.00 C ATOM 1308 CD1 TYR A 89 -2.362 -11.894 2.548 1.00 0.00 C ATOM 1309 CD2 TYR A 89 -0.429 -10.832 3.452 1.00 0.00 C ATOM 1310 CE1 TYR A 89 -1.660 -13.077 2.424 1.00 0.00 C ATOM 1311 CE2 TYR A 89 0.281 -12.010 3.330 1.00 0.00 C ATOM 1312 CZ TYR A 89 -0.338 -13.130 2.816 1.00 0.00 C ATOM 1313 OH TYR A 89 0.365 -14.307 2.693 1.00 0.00 O ATOM 0 H TYR A 89 -5.267 -9.819 2.812 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.378 -10.075 5.076 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.914 -9.170 2.218 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.854 -8.672 3.522 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.396 -11.855 2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.059 -9.957 3.856 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.143 -13.956 2.023 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.316 -12.054 3.636 1.00 0.00 H new ATOM 0 HH TYR A 89 -0.200 -14.982 2.264 1.00 0.00 H new ATOM 1323 N THR A 90 -3.280 -7.440 5.308 1.00 0.00 N ATOM 1324 CA THR A 90 -3.580 -6.086 5.758 1.00 0.00 C ATOM 1325 C THR A 90 -2.434 -5.133 5.436 1.00 0.00 C ATOM 1326 O THR A 90 -1.435 -5.084 6.153 1.00 0.00 O ATOM 1327 CB THR A 90 -3.855 -6.046 7.273 1.00 0.00 C ATOM 1328 OG1 THR A 90 -4.708 -7.135 7.645 1.00 0.00 O ATOM 1329 CG2 THR A 90 -4.504 -4.729 7.670 1.00 0.00 C ATOM 0 H THR A 90 -2.365 -7.787 5.595 1.00 0.00 H new ATOM 0 HA THR A 90 -4.475 -5.767 5.225 1.00 0.00 H new ATOM 0 HB THR A 90 -2.903 -6.136 7.796 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.877 -7.104 8.610 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.689 -4.724 8.744 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.840 -3.904 7.412 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.449 -4.614 7.139 1.00 0.00 H new ATOM 1337 N VAL A 91 -2.587 -4.376 4.354 1.00 0.00 N ATOM 1338 CA VAL A 91 -1.565 -3.423 3.938 1.00 0.00 C ATOM 1339 C VAL A 91 -1.619 -2.156 4.785 1.00 0.00 C ATOM 1340 O VAL A 91 -2.622 -1.442 4.788 1.00 0.00 O ATOM 1341 CB VAL A 91 -1.724 -3.042 2.454 1.00 0.00 C ATOM 1342 CG1 VAL A 91 -0.664 -2.031 2.046 1.00 0.00 C ATOM 1343 CG2 VAL A 91 -1.654 -4.283 1.576 1.00 0.00 C ATOM 0 H VAL A 91 -3.408 -4.404 3.750 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.600 -3.911 4.079 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.703 -2.582 2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.792 -1.774 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.765 -1.132 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.326 -2.461 2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.768 -3.996 0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.690 -4.773 1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.453 -4.970 1.853 1.00 0.00 H new ATOM 1353 N TRP A 92 -0.535 -1.883 5.501 1.00 0.00 N ATOM 1354 CA TRP A 92 -0.458 -0.701 6.352 1.00 0.00 C ATOM 1355 C TRP A 92 0.231 0.449 5.625 1.00 0.00 C ATOM 1356 O TRP A 92 1.422 0.380 5.322 1.00 0.00 O ATOM 1357 CB TRP A 92 0.292 -1.026 7.645 1.00 0.00 C ATOM 1358 CG TRP A 92 -0.564 -1.697 8.675 1.00 0.00 C ATOM 1359 CD1 TRP A 92 -1.410 -2.751 8.478 1.00 0.00 C ATOM 1360 CD2 TRP A 92 -0.658 -1.359 10.063 1.00 0.00 C ATOM 1361 NE1 TRP A 92 -2.024 -3.088 9.660 1.00 0.00 N ATOM 1362 CE2 TRP A 92 -1.579 -2.250 10.648 1.00 0.00 C ATOM 1363 CE3 TRP A 92 -0.052 -0.392 10.870 1.00 0.00 C ATOM 1364 CZ2 TRP A 92 -1.908 -2.200 12.000 1.00 0.00 C ATOM 1365 CZ3 TRP A 92 -0.380 -0.343 12.211 1.00 0.00 C ATOM 1366 CH2 TRP A 92 -1.301 -1.243 12.766 1.00 0.00 C ATOM 0 H TRP A 92 0.303 -2.464 5.510 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.475 -0.394 6.598 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.140 -1.670 7.413 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.697 -0.104 8.063 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -1.572 -3.247 7.532 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -2.702 -3.841 9.782 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.660 0.305 10.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.617 -2.892 12.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.081 0.402 12.843 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.536 -1.179 13.818 1.00 0.00 H new ATOM 1377 N VAL A 93 -0.526 1.506 5.349 1.00 0.00 N ATOM 1378 CA VAL A 93 0.012 2.672 4.659 1.00 0.00 C ATOM 1379 C VAL A 93 -0.185 3.939 5.484 1.00 0.00 C ATOM 1380 O VAL A 93 -1.298 4.455 5.592 1.00 0.00 O ATOM 1381 CB VAL A 93 -0.648 2.863 3.280 1.00 0.00 C ATOM 1382 CG1 VAL A 93 -0.090 4.097 2.587 1.00 0.00 C ATOM 1383 CG2 VAL A 93 -0.452 1.624 2.420 1.00 0.00 C ATOM 0 H VAL A 93 -1.514 1.579 5.593 1.00 0.00 H new ATOM 0 HA VAL A 93 1.078 2.493 4.522 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.718 3.011 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.568 4.216 1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.287 4.978 3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.985 3.983 2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.924 1.776 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.614 1.443 2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.905 0.764 2.913 1.00 0.00 H new ATOM 1393 N CYS A 94 0.902 4.435 6.064 1.00 0.00 N ATOM 1394 CA CYS A 94 0.849 5.643 6.881 1.00 0.00 C ATOM 1395 C CYS A 94 1.967 6.607 6.498 1.00 0.00 C ATOM 1396 O CYS A 94 3.109 6.198 6.288 1.00 0.00 O ATOM 1397 CB CYS A 94 0.954 5.285 8.364 1.00 0.00 C ATOM 1398 SG CYS A 94 -0.285 4.093 8.925 1.00 0.00 S ATOM 0 H CYS A 94 1.830 4.020 5.984 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.107 6.133 6.700 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.947 4.880 8.560 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.859 6.196 8.954 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.114 3.852 10.191 1.00 0.00 H new ATOM 1404 N ILE A 95 1.630 7.889 6.408 1.00 0.00 N ATOM 1405 CA ILE A 95 2.605 8.912 6.050 1.00 0.00 C ATOM 1406 C ILE A 95 2.884 9.842 7.226 1.00 0.00 C ATOM 1407 O ILE A 95 1.978 10.496 7.743 1.00 0.00 O ATOM 1408 CB ILE A 95 2.127 9.750 4.849 1.00 0.00 C ATOM 1409 CG1 ILE A 95 2.098 8.894 3.581 1.00 0.00 C ATOM 1410 CG2 ILE A 95 3.027 10.961 4.657 1.00 0.00 C ATOM 1411 CD1 ILE A 95 1.413 9.568 2.413 1.00 0.00 C ATOM 0 H ILE A 95 0.689 8.244 6.578 1.00 0.00 H new ATOM 0 HA ILE A 95 3.523 8.391 5.777 1.00 0.00 H new ATOM 0 HB ILE A 95 1.115 10.102 5.050 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.120 8.644 3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.589 7.955 3.798 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.677 11.543 3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.001 11.579 5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.049 10.629 4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.430 8.904 1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.380 9.793 2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.935 10.493 2.170 1.00 0.00 H new ATOM 1423 N LYS A 96 4.144 9.897 7.643 1.00 0.00 N ATOM 1424 CA LYS A 96 4.545 10.749 8.757 1.00 0.00 C ATOM 1425 C LYS A 96 3.840 10.331 10.043 1.00 0.00 C ATOM 1426 O LYS A 96 3.234 11.157 10.725 1.00 0.00 O ATOM 1427 CB LYS A 96 4.231 12.214 8.443 1.00 0.00 C ATOM 1428 CG LYS A 96 5.065 12.786 7.310 1.00 0.00 C ATOM 1429 CD LYS A 96 4.320 13.883 6.568 1.00 0.00 C ATOM 1430 CE LYS A 96 4.406 15.211 7.305 1.00 0.00 C ATOM 1431 NZ LYS A 96 5.589 16.007 6.877 1.00 0.00 N ATOM 0 H LYS A 96 4.906 9.362 7.226 1.00 0.00 H new ATOM 0 HA LYS A 96 5.620 10.636 8.900 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.175 12.304 8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.393 12.812 9.340 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.998 13.184 7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.330 11.990 6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.736 13.994 5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.275 13.598 6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.497 15.786 7.125 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.460 15.028 8.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.612 16.904 7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.458 15.470 7.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.525 16.204 5.858 1.00 0.00 H new ATOM 1445 N GLU A 97 3.925 9.045 10.368 1.00 0.00 N ATOM 1446 CA GLU A 97 3.295 8.519 11.573 1.00 0.00 C ATOM 1447 C GLU A 97 1.795 8.802 11.571 1.00 0.00 C ATOM 1448 O GLU A 97 1.222 9.167 12.597 1.00 0.00 O ATOM 1449 CB GLU A 97 3.939 9.130 12.820 1.00 0.00 C ATOM 1450 CG GLU A 97 5.410 8.784 12.977 1.00 0.00 C ATOM 1451 CD GLU A 97 6.302 9.602 12.064 1.00 0.00 C ATOM 1452 OE1 GLU A 97 5.988 10.790 11.837 1.00 0.00 O ATOM 1453 OE2 GLU A 97 7.314 9.056 11.577 1.00 0.00 O ATOM 0 H GLU A 97 4.424 8.349 9.814 1.00 0.00 H new ATOM 0 HA GLU A 97 3.443 7.439 11.588 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.832 10.214 12.780 1.00 0.00 H new ATOM 0 HB3 GLU A 97 3.398 8.788 13.702 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.709 8.947 14.012 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.555 7.724 12.766 1.00 0.00 H new ATOM 1460 N GLN A 98 1.168 8.630 10.412 1.00 0.00 N ATOM 1461 CA GLN A 98 -0.264 8.868 10.276 1.00 0.00 C ATOM 1462 C GLN A 98 -0.859 7.995 9.176 1.00 0.00 C ATOM 1463 O GLN A 98 -0.287 7.869 8.092 1.00 0.00 O ATOM 1464 CB GLN A 98 -0.531 10.343 9.973 1.00 0.00 C ATOM 1465 CG GLN A 98 -0.167 11.275 11.118 1.00 0.00 C ATOM 1466 CD GLN A 98 -0.331 12.737 10.755 1.00 0.00 C ATOM 1467 OE1 GLN A 98 -1.253 13.109 10.028 1.00 0.00 O ATOM 1468 NE2 GLN A 98 0.565 13.577 11.261 1.00 0.00 N ATOM 0 H GLN A 98 1.629 8.327 9.554 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.741 8.606 11.220 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.035 10.631 9.087 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -1.587 10.471 9.733 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.793 11.046 11.981 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.865 11.092 11.416 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.313 13.226 11.859 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.505 14.573 11.052 1.00 0.00 H new ATOM 1477 N HIS A 99 -2.009 7.394 9.462 1.00 0.00 N ATOM 1478 CA HIS A 99 -2.682 6.532 8.496 1.00 0.00 C ATOM 1479 C HIS A 99 -3.492 7.359 7.502 1.00 0.00 C ATOM 1480 O HIS A 99 -4.420 8.073 7.884 1.00 0.00 O ATOM 1481 CB HIS A 99 -3.595 5.539 9.215 1.00 0.00 C ATOM 1482 CG HIS A 99 -4.893 6.137 9.665 1.00 0.00 C ATOM 1483 ND1 HIS A 99 -6.031 6.139 8.885 1.00 0.00 N ATOM 1484 CD2 HIS A 99 -5.231 6.753 10.822 1.00 0.00 C ATOM 1485 CE1 HIS A 99 -7.011 6.731 9.542 1.00 0.00 C ATOM 1486 NE2 HIS A 99 -6.552 7.113 10.721 1.00 0.00 N ATOM 0 H HIS A 99 -2.495 7.488 10.354 1.00 0.00 H new ATOM 0 HA HIS A 99 -1.920 5.980 7.946 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.802 4.701 8.550 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.070 5.137 10.081 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -6.104 5.745 7.947 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.582 6.929 11.667 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.017 6.878 9.178 1.00 0.00 H new ATOM 1495 N VAL A 100 -3.135 7.259 6.226 1.00 0.00 N ATOM 1496 CA VAL A 100 -3.828 7.997 5.177 1.00 0.00 C ATOM 1497 C VAL A 100 -5.265 7.511 5.021 1.00 0.00 C ATOM 1498 O VAL A 100 -5.710 6.620 5.744 1.00 0.00 O ATOM 1499 CB VAL A 100 -3.104 7.866 3.825 1.00 0.00 C ATOM 1500 CG1 VAL A 100 -1.649 8.290 3.955 1.00 0.00 C ATOM 1501 CG2 VAL A 100 -3.207 6.441 3.301 1.00 0.00 C ATOM 0 H VAL A 100 -2.369 6.673 5.893 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.832 9.045 5.478 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.588 8.529 3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.153 8.191 2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.601 9.328 4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.149 7.655 4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.690 6.367 2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.749 5.757 4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.256 6.177 3.167 1.00 0.00 H new ATOM 1511 N GLN A 101 -5.984 8.101 4.072 1.00 0.00 N ATOM 1512 CA GLN A 101 -7.371 7.727 3.821 1.00 0.00 C ATOM 1513 C GLN A 101 -7.469 6.276 3.363 1.00 0.00 C ATOM 1514 O GLN A 101 -6.497 5.702 2.873 1.00 0.00 O ATOM 1515 CB GLN A 101 -7.987 8.650 2.768 1.00 0.00 C ATOM 1516 CG GLN A 101 -9.442 8.335 2.461 1.00 0.00 C ATOM 1517 CD GLN A 101 -9.990 9.167 1.318 1.00 0.00 C ATOM 1518 OE1 GLN A 101 -9.539 10.287 1.078 1.00 0.00 O ATOM 1519 NE2 GLN A 101 -10.970 8.623 0.605 1.00 0.00 N ATOM 0 H GLN A 101 -5.630 8.840 3.464 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.924 7.832 4.754 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.912 9.682 3.112 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.406 8.578 1.849 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.537 7.278 2.214 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.044 8.509 3.353 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -11.314 7.692 0.838 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -11.378 9.137 -0.176 1.00 0.00 H new ATOM 1528 N GLY A 102 -8.650 5.687 3.525 1.00 0.00 N ATOM 1529 CA GLY A 102 -8.853 4.308 3.124 1.00 0.00 C ATOM 1530 C GLY A 102 -7.659 3.430 3.442 1.00 0.00 C ATOM 1531 O GLY A 102 -7.203 2.661 2.596 1.00 0.00 O ATOM 0 H GLY A 102 -9.470 6.141 3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.735 3.913 3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.053 4.270 2.053 1.00 0.00 H new ATOM 1535 N SER A 103 -7.151 3.545 4.664 1.00 0.00 N ATOM 1536 CA SER A 103 -5.999 2.759 5.090 1.00 0.00 C ATOM 1537 C SER A 103 -5.909 2.708 6.613 1.00 0.00 C ATOM 1538 O SER A 103 -6.240 3.665 7.312 1.00 0.00 O ATOM 1539 CB SER A 103 -4.711 3.347 4.511 1.00 0.00 C ATOM 1540 OG SER A 103 -3.568 2.754 5.103 1.00 0.00 O ATOM 0 H SER A 103 -7.519 4.175 5.377 1.00 0.00 H new ATOM 0 HA SER A 103 -6.126 1.743 4.717 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.689 3.190 3.433 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.693 4.424 4.677 1.00 0.00 H new ATOM 0 HG SER A 103 -2.869 3.432 5.215 1.00 0.00 H new ATOM 1546 N PRO A 104 -5.450 1.563 7.139 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.054 0.416 6.317 1.00 0.00 C ATOM 1548 C PRO A 104 -6.247 -0.256 5.646 1.00 0.00 C ATOM 1549 O PRO A 104 -7.397 -0.011 6.011 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.401 -0.534 7.324 1.00 0.00 C ATOM 1551 CG PRO A 104 -5.017 -0.180 8.633 1.00 0.00 C ATOM 1552 CD PRO A 104 -5.283 1.299 8.578 1.00 0.00 C ATOM 0 HA PRO A 104 -4.396 0.709 5.499 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.591 -1.576 7.066 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.319 -0.403 7.347 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -5.940 -0.737 8.793 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.349 -0.426 9.458 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.176 1.568 9.142 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.456 1.872 8.998 1.00 0.00 H new ATOM 1560 N PHE A 105 -5.966 -1.105 4.663 1.00 0.00 N ATOM 1561 CA PHE A 105 -7.017 -1.813 3.941 1.00 0.00 C ATOM 1562 C PHE A 105 -6.731 -3.311 3.895 1.00 0.00 C ATOM 1563 O PHE A 105 -5.668 -3.766 4.318 1.00 0.00 O ATOM 1564 CB PHE A 105 -7.147 -1.263 2.518 1.00 0.00 C ATOM 1565 CG PHE A 105 -5.843 -1.215 1.774 1.00 0.00 C ATOM 1566 CD1 PHE A 105 -5.411 -2.304 1.035 1.00 0.00 C ATOM 1567 CD2 PHE A 105 -5.050 -0.079 1.812 1.00 0.00 C ATOM 1568 CE1 PHE A 105 -4.212 -2.262 0.348 1.00 0.00 C ATOM 1569 CE2 PHE A 105 -3.851 -0.031 1.127 1.00 0.00 C ATOM 1570 CZ PHE A 105 -3.431 -1.125 0.395 1.00 0.00 C ATOM 0 H PHE A 105 -5.020 -1.319 4.348 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.956 -1.656 4.471 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -7.852 -1.880 1.961 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.569 -0.259 2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.018 -3.196 0.995 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.373 0.779 2.384 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -3.887 -3.118 -0.225 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.243 0.861 1.164 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.493 -1.090 -0.139 1.00 0.00 H new ATOM 1580 N THR A 106 -7.689 -4.075 3.378 1.00 0.00 N ATOM 1581 CA THR A 106 -7.543 -5.521 3.278 1.00 0.00 C ATOM 1582 C THR A 106 -7.225 -5.944 1.848 1.00 0.00 C ATOM 1583 O THR A 106 -7.545 -5.235 0.894 1.00 0.00 O ATOM 1584 CB THR A 106 -8.818 -6.249 3.744 1.00 0.00 C ATOM 1585 OG1 THR A 106 -9.210 -5.770 5.036 1.00 0.00 O ATOM 1586 CG2 THR A 106 -8.593 -7.752 3.802 1.00 0.00 C ATOM 0 H THR A 106 -8.575 -3.715 3.022 1.00 0.00 H new ATOM 0 HA THR A 106 -6.715 -5.800 3.930 1.00 0.00 H new ATOM 0 HB THR A 106 -9.611 -6.044 3.024 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.022 -6.236 5.325 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.507 -8.244 4.134 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.323 -8.118 2.811 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.788 -7.973 4.503 1.00 0.00 H new ATOM 1594 N VAL A 107 -6.593 -7.105 1.706 1.00 0.00 N ATOM 1595 CA VAL A 107 -6.233 -7.623 0.391 1.00 0.00 C ATOM 1596 C VAL A 107 -6.449 -9.131 0.317 1.00 0.00 C ATOM 1597 O VAL A 107 -5.952 -9.883 1.155 1.00 0.00 O ATOM 1598 CB VAL A 107 -4.765 -7.309 0.046 1.00 0.00 C ATOM 1599 CG1 VAL A 107 -4.332 -8.076 -1.194 1.00 0.00 C ATOM 1600 CG2 VAL A 107 -4.573 -5.812 -0.148 1.00 0.00 C ATOM 0 H VAL A 107 -6.320 -7.704 2.485 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.882 -7.129 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.137 -7.628 0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.292 -7.841 -1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.431 -9.146 -1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.962 -7.791 -2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.530 -5.607 -0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.210 -5.466 -0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.841 -5.289 0.770 1.00 0.00 H new ATOM 1610 N THR A 108 -7.195 -9.567 -0.693 1.00 0.00 N ATOM 1611 CA THR A 108 -7.479 -10.985 -0.877 1.00 0.00 C ATOM 1612 C THR A 108 -6.518 -11.611 -1.881 1.00 0.00 C ATOM 1613 O THR A 108 -6.599 -11.348 -3.081 1.00 0.00 O ATOM 1614 CB THR A 108 -8.925 -11.211 -1.358 1.00 0.00 C ATOM 1615 OG1 THR A 108 -9.848 -10.763 -0.359 1.00 0.00 O ATOM 1616 CG2 THR A 108 -9.171 -12.681 -1.660 1.00 0.00 C ATOM 0 H THR A 108 -7.614 -8.958 -1.396 1.00 0.00 H new ATOM 0 HA THR A 108 -7.349 -11.462 0.094 1.00 0.00 H new ATOM 0 HB THR A 108 -9.074 -10.639 -2.274 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.765 -10.908 -0.672 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.198 -12.816 -1.998 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.486 -13.012 -2.441 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.005 -13.270 -0.758 1.00 0.00 H new ATOM 1624 N VAL A 109 -5.609 -12.444 -1.383 1.00 0.00 N ATOM 1625 CA VAL A 109 -4.633 -13.110 -2.238 1.00 0.00 C ATOM 1626 C VAL A 109 -5.141 -14.473 -2.693 1.00 0.00 C ATOM 1627 O VAL A 109 -5.744 -15.214 -1.916 1.00 0.00 O ATOM 1628 CB VAL A 109 -3.286 -13.292 -1.514 1.00 0.00 C ATOM 1629 CG1 VAL A 109 -2.237 -13.843 -2.469 1.00 0.00 C ATOM 1630 CG2 VAL A 109 -2.826 -11.977 -0.905 1.00 0.00 C ATOM 0 H VAL A 109 -5.528 -12.674 -0.392 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.486 -12.471 -3.109 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.422 -14.011 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.292 -13.965 -1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.566 -14.809 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.101 -13.150 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.873 -12.125 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.706 -11.233 -1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.569 -11.629 -0.187 1.00 0.00 H new ATOM 1640 N ARG A 110 -4.894 -14.798 -3.958 1.00 0.00 N ATOM 1641 CA ARG A 110 -5.328 -16.072 -4.518 1.00 0.00 C ATOM 1642 C ARG A 110 -4.137 -16.998 -4.749 1.00 0.00 C ATOM 1643 O ARG A 110 -2.986 -16.604 -4.560 1.00 0.00 O ATOM 1644 CB ARG A 110 -6.075 -15.848 -5.833 1.00 0.00 C ATOM 1645 CG ARG A 110 -7.231 -14.868 -5.717 1.00 0.00 C ATOM 1646 CD ARG A 110 -8.525 -15.574 -5.341 1.00 0.00 C ATOM 1647 NE ARG A 110 -9.103 -16.295 -6.472 1.00 0.00 N ATOM 1648 CZ ARG A 110 -10.320 -16.827 -6.459 1.00 0.00 C ATOM 1649 NH1 ARG A 110 -11.084 -16.718 -5.380 1.00 0.00 N ATOM 1650 NH2 ARG A 110 -10.776 -17.468 -7.527 1.00 0.00 N ATOM 0 H ARG A 110 -4.396 -14.197 -4.614 1.00 0.00 H new ATOM 0 HA ARG A 110 -6.001 -16.544 -3.802 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.373 -15.482 -6.582 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -6.455 -16.804 -6.193 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.996 -14.113 -4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.363 -14.345 -6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.334 -16.272 -4.526 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -9.244 -14.842 -4.972 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.542 -16.395 -7.318 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -10.737 -16.225 -4.557 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -12.018 -17.128 -5.373 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.192 -17.553 -8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -11.711 -17.876 -7.516 1.00 0.00 H new ATOM 1664 N ARG A 111 -4.422 -18.230 -5.158 1.00 0.00 N ATOM 1665 CA ARG A 111 -3.375 -19.212 -5.413 1.00 0.00 C ATOM 1666 C ARG A 111 -2.756 -19.001 -6.792 1.00 0.00 C ATOM 1667 O ARG A 111 -3.460 -18.739 -7.768 1.00 0.00 O ATOM 1668 CB ARG A 111 -3.939 -20.630 -5.308 1.00 0.00 C ATOM 1669 CG ARG A 111 -4.840 -21.015 -6.470 1.00 0.00 C ATOM 1670 CD ARG A 111 -5.372 -22.431 -6.316 1.00 0.00 C ATOM 1671 NE ARG A 111 -6.443 -22.509 -5.326 1.00 0.00 N ATOM 1672 CZ ARG A 111 -7.647 -21.976 -5.501 1.00 0.00 C ATOM 1673 NH1 ARG A 111 -7.932 -21.329 -6.623 1.00 0.00 N ATOM 1674 NH2 ARG A 111 -8.568 -22.089 -4.553 1.00 0.00 N ATOM 0 H ARG A 111 -5.369 -18.572 -5.320 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.598 -19.081 -4.660 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -3.112 -21.338 -5.251 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -4.501 -20.721 -4.378 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -5.674 -20.316 -6.532 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.285 -20.933 -7.405 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -5.741 -22.786 -7.278 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -4.558 -23.094 -6.023 1.00 0.00 H new ATOM 0 HE ARG A 111 -6.256 -23.000 -4.452 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -7.226 -21.240 -7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -8.857 -20.921 -6.755 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -8.352 -22.586 -3.689 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -9.492 -21.679 -4.688 1.00 0.00 H new ATOM 1688 N LYS A 112 -1.434 -19.115 -6.865 1.00 0.00 N ATOM 1689 CA LYS A 112 -0.719 -18.938 -8.123 1.00 0.00 C ATOM 1690 C LYS A 112 -0.178 -20.270 -8.634 1.00 0.00 C ATOM 1691 O LYS A 112 0.382 -21.058 -7.871 1.00 0.00 O ATOM 1692 CB LYS A 112 0.431 -17.944 -7.945 1.00 0.00 C ATOM 1693 CG LYS A 112 1.083 -17.527 -9.251 1.00 0.00 C ATOM 1694 CD LYS A 112 2.238 -18.446 -9.616 1.00 0.00 C ATOM 1695 CE LYS A 112 2.484 -18.463 -11.117 1.00 0.00 C ATOM 1696 NZ LYS A 112 3.283 -17.288 -11.561 1.00 0.00 N ATOM 0 H LYS A 112 -0.836 -19.329 -6.067 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.421 -18.545 -8.858 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.057 -17.056 -7.436 1.00 0.00 H new ATOM 0 HB3 LYS A 112 1.187 -18.388 -7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.341 -17.539 -10.049 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.445 -16.502 -9.167 1.00 0.00 H new ATOM 0 HD2 LYS A 112 3.142 -18.118 -9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.023 -19.457 -9.270 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.005 -19.381 -11.389 1.00 0.00 H new ATOM 0 HE3 LYS A 112 1.529 -18.472 -11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.429 -17.336 -12.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.774 -16.413 -11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.205 -17.293 -11.080 1.00 0.00 H new ATOM 1710 N HIS A 113 -0.348 -20.515 -9.929 1.00 0.00 N ATOM 1711 CA HIS A 113 0.125 -21.751 -10.542 1.00 0.00 C ATOM 1712 C HIS A 113 1.435 -21.521 -11.289 1.00 0.00 C ATOM 1713 O HIS A 113 1.438 -21.269 -12.494 1.00 0.00 O ATOM 1714 CB HIS A 113 -0.930 -22.307 -11.500 1.00 0.00 C ATOM 1715 CG HIS A 113 -1.566 -21.261 -12.363 1.00 0.00 C ATOM 1716 ND1 HIS A 113 -1.247 -21.088 -13.694 1.00 0.00 N ATOM 1717 CD2 HIS A 113 -2.508 -20.332 -12.080 1.00 0.00 C ATOM 1718 CE1 HIS A 113 -1.964 -20.097 -14.191 1.00 0.00 C ATOM 1719 NE2 HIS A 113 -2.738 -19.620 -13.232 1.00 0.00 N ATOM 0 H HIS A 113 -0.810 -19.874 -10.574 1.00 0.00 H new ATOM 0 HA HIS A 113 0.302 -22.476 -9.748 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -0.469 -23.061 -12.138 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -1.705 -22.810 -10.922 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -2.990 -20.179 -11.126 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -1.925 -19.737 -15.209 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -3.398 -18.849 -13.331 1.00 0.00 H new TER 1728 HIS A 113