USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 560 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 NoAdj-H: A 86 HIS HE2 : A 86 HIS NE2 : A 256 ZNZN :(H bumps) USER MOD NoAdj-H: A 114 HIS HE2 : A 114 HIS NE2 : A 456 ZNZN :(H bumps) USER MOD Set 1.1: A 100 SER OG : rot -17:sc= 0.233! USER MOD Set 1.2: A 120 LYS NZ :NH3+ 149:sc= 0.033 (180deg=-0.274) USER MOD Set 2.1: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 93 MET CE :methyl -159:sc= -0.274 (180deg=-1) USER MOD Single : A 57 SER OG : rot 24:sc= 0.897 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 15:sc= 0.494 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.039 K(o=-0.039,f=-2.4) USER MOD Single : A 77 LYS NZ :NH3+ -147:sc= -0.691 (180deg=-2.2!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -4.97! C(o=-5!,f=-9.5!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.147 K(o=-0.15,f=-2.2!) USER MOD Single : A 108 LYS NZ :NH3+ -153:sc=-0.00488 (180deg=-0.714) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 CYS SG : rot -95:sc= 0.331 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 56 0.192 17.460 8.145 1.00 0.00 N ATOM 2 CA GLY A 56 0.320 16.114 8.670 1.00 0.00 C ATOM 3 C GLY A 56 -0.760 15.184 8.152 1.00 0.00 C ATOM 4 O GLY A 56 -1.458 15.508 7.191 1.00 0.00 O ATOM 0 HA2 GLY A 56 1.298 15.714 8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.276 16.146 9.759 1.00 0.00 H new ATOM 8 N SER A 57 -0.897 14.026 8.789 1.00 0.00 N ATOM 9 CA SER A 57 -1.896 13.044 8.383 1.00 0.00 C ATOM 10 C SER A 57 -3.252 13.359 9.007 1.00 0.00 C ATOM 11 O SER A 57 -3.435 13.231 10.217 1.00 0.00 O ATOM 12 CB SER A 57 -1.451 11.636 8.785 1.00 0.00 C ATOM 13 OG SER A 57 -1.456 11.483 10.194 1.00 0.00 O ATOM 0 H SER A 57 -0.329 13.744 9.588 1.00 0.00 H new ATOM 0 HA SER A 57 -1.995 13.090 7.298 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.115 10.899 8.334 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.450 11.443 8.399 1.00 0.00 H new ATOM 0 HG SER A 57 -2.082 12.124 10.590 1.00 0.00 H new ATOM 19 N SER A 58 -4.199 13.772 8.170 1.00 0.00 N ATOM 20 CA SER A 58 -5.538 14.109 8.639 1.00 0.00 C ATOM 21 C SER A 58 -6.575 13.155 8.054 1.00 0.00 C ATOM 22 O SER A 58 -7.744 13.508 7.902 1.00 0.00 O ATOM 23 CB SER A 58 -5.885 15.551 8.263 1.00 0.00 C ATOM 24 OG SER A 58 -5.656 15.787 6.884 1.00 0.00 O ATOM 0 H SER A 58 -4.064 13.881 7.165 1.00 0.00 H new ATOM 0 HA SER A 58 -5.551 14.011 9.724 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.930 15.751 8.501 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.285 16.240 8.858 1.00 0.00 H new ATOM 0 HG SER A 58 -5.887 16.715 6.668 1.00 0.00 H new ATOM 30 N GLY A 59 -6.137 11.943 7.726 1.00 0.00 N ATOM 31 CA GLY A 59 -7.039 10.956 7.161 1.00 0.00 C ATOM 32 C GLY A 59 -7.336 9.824 8.124 1.00 0.00 C ATOM 33 O GLY A 59 -8.493 9.576 8.463 1.00 0.00 O ATOM 0 H GLY A 59 -5.174 11.627 7.841 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.973 11.442 6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.602 10.548 6.250 1.00 0.00 H new ATOM 37 N SER A 60 -6.289 9.133 8.564 1.00 0.00 N ATOM 38 CA SER A 60 -6.444 8.017 9.489 1.00 0.00 C ATOM 39 C SER A 60 -7.638 7.150 9.100 1.00 0.00 C ATOM 40 O SER A 60 -8.389 6.686 9.958 1.00 0.00 O ATOM 41 CB SER A 60 -6.620 8.533 10.919 1.00 0.00 C ATOM 42 OG SER A 60 -7.734 9.403 11.015 1.00 0.00 O ATOM 0 H SER A 60 -5.324 9.327 8.295 1.00 0.00 H new ATOM 0 HA SER A 60 -5.542 7.407 9.438 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.753 7.691 11.599 1.00 0.00 H new ATOM 0 HB3 SER A 60 -5.717 9.057 11.233 1.00 0.00 H new ATOM 0 HG SER A 60 -8.295 9.306 10.217 1.00 0.00 H new ATOM 48 N SER A 61 -7.806 6.936 7.799 1.00 0.00 N ATOM 49 CA SER A 61 -8.909 6.128 7.293 1.00 0.00 C ATOM 50 C SER A 61 -8.417 5.126 6.253 1.00 0.00 C ATOM 51 O SER A 61 -8.049 5.500 5.140 1.00 0.00 O ATOM 52 CB SER A 61 -9.988 7.025 6.684 1.00 0.00 C ATOM 53 OG SER A 61 -10.920 7.443 7.667 1.00 0.00 O ATOM 0 H SER A 61 -7.192 7.311 7.076 1.00 0.00 H new ATOM 0 HA SER A 61 -9.336 5.575 8.130 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.523 7.898 6.225 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.508 6.487 5.891 1.00 0.00 H new ATOM 0 HG SER A 61 -11.598 8.016 7.252 1.00 0.00 H new ATOM 59 N GLY A 62 -8.414 3.850 6.624 1.00 0.00 N ATOM 60 CA GLY A 62 -7.966 2.813 5.713 1.00 0.00 C ATOM 61 C GLY A 62 -9.116 2.017 5.129 1.00 0.00 C ATOM 62 O GLY A 62 -9.880 1.390 5.863 1.00 0.00 O ATOM 0 H GLY A 62 -8.714 3.515 7.540 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.395 3.267 4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.291 2.138 6.240 1.00 0.00 H new ATOM 66 N GLU A 63 -9.241 2.043 3.806 1.00 0.00 N ATOM 67 CA GLU A 63 -10.309 1.320 3.126 1.00 0.00 C ATOM 68 C GLU A 63 -10.094 -0.187 3.226 1.00 0.00 C ATOM 69 O GLU A 63 -9.172 -0.652 3.896 1.00 0.00 O ATOM 70 CB GLU A 63 -10.382 1.739 1.656 1.00 0.00 C ATOM 71 CG GLU A 63 -9.060 1.610 0.919 1.00 0.00 C ATOM 72 CD GLU A 63 -8.894 2.653 -0.170 1.00 0.00 C ATOM 73 OE1 GLU A 63 -8.524 3.799 0.159 1.00 0.00 O ATOM 74 OE2 GLU A 63 -9.136 2.322 -1.350 1.00 0.00 O ATOM 0 H GLU A 63 -8.616 2.557 3.184 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.251 1.569 3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.131 1.130 1.150 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.721 2.773 1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.241 1.701 1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.990 0.616 0.478 1.00 0.00 H new ATOM 81 N LYS A 64 -10.954 -0.947 2.555 1.00 0.00 N ATOM 82 CA LYS A 64 -10.860 -2.402 2.567 1.00 0.00 C ATOM 83 C LYS A 64 -9.620 -2.874 1.814 1.00 0.00 C ATOM 84 O LYS A 64 -9.360 -4.073 1.713 1.00 0.00 O ATOM 85 CB LYS A 64 -12.114 -3.019 1.942 1.00 0.00 C ATOM 86 CG LYS A 64 -13.408 -2.385 2.422 1.00 0.00 C ATOM 87 CD LYS A 64 -14.622 -3.073 1.822 1.00 0.00 C ATOM 88 CE LYS A 64 -14.854 -4.440 2.447 1.00 0.00 C ATOM 89 NZ LYS A 64 -16.141 -5.043 2.003 1.00 0.00 N ATOM 0 H LYS A 64 -11.724 -0.579 1.996 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.779 -2.727 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.053 -2.925 0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.136 -4.085 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.459 -2.438 3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.418 -1.329 2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.504 -2.450 1.969 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.485 -3.182 0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.031 -5.104 2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.852 -4.348 3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.261 -5.974 2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.929 -4.422 2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.133 -5.155 0.969 1.00 0.00 H new ATOM 103 N THR A 65 -8.854 -1.922 1.289 1.00 0.00 N ATOM 104 CA THR A 65 -7.641 -2.240 0.547 1.00 0.00 C ATOM 105 C THR A 65 -6.974 -3.496 1.096 1.00 0.00 C ATOM 106 O THR A 65 -6.406 -4.288 0.344 1.00 0.00 O ATOM 107 CB THR A 65 -6.634 -1.075 0.591 1.00 0.00 C ATOM 108 OG1 THR A 65 -5.397 -1.475 -0.009 1.00 0.00 O ATOM 109 CG2 THR A 65 -6.388 -0.627 2.024 1.00 0.00 C ATOM 0 H THR A 65 -9.053 -0.924 1.364 1.00 0.00 H new ATOM 0 HA THR A 65 -7.939 -2.413 -0.487 1.00 0.00 H new ATOM 0 HB THR A 65 -7.054 -0.238 0.033 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.762 -0.729 0.021 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.674 0.196 2.030 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.327 -0.296 2.468 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.987 -1.460 2.602 1.00 0.00 H new ATOM 117 N VAL A 66 -7.046 -3.671 2.411 1.00 0.00 N ATOM 118 CA VAL A 66 -6.450 -4.833 3.061 1.00 0.00 C ATOM 119 C VAL A 66 -7.425 -6.004 3.095 1.00 0.00 C ATOM 120 O VAL A 66 -8.624 -5.822 3.306 1.00 0.00 O ATOM 121 CB VAL A 66 -6.008 -4.505 4.500 1.00 0.00 C ATOM 122 CG1 VAL A 66 -5.729 -5.783 5.277 1.00 0.00 C ATOM 123 CG2 VAL A 66 -4.785 -3.601 4.488 1.00 0.00 C ATOM 0 H VAL A 66 -7.511 -3.024 3.048 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.575 -5.110 2.474 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.819 -3.974 4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.418 -5.532 6.291 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.633 -6.391 5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.936 -6.344 4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.486 -3.379 5.513 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.967 -4.103 3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.024 -2.672 3.971 1.00 0.00 H new ATOM 133 N VAL A 67 -6.902 -7.208 2.886 1.00 0.00 N ATOM 134 CA VAL A 67 -7.726 -8.411 2.894 1.00 0.00 C ATOM 135 C VAL A 67 -7.920 -8.935 4.313 1.00 0.00 C ATOM 136 O VAL A 67 -6.955 -9.139 5.049 1.00 0.00 O ATOM 137 CB VAL A 67 -7.103 -9.524 2.030 1.00 0.00 C ATOM 138 CG1 VAL A 67 -7.681 -10.879 2.405 1.00 0.00 C ATOM 139 CG2 VAL A 67 -7.319 -9.233 0.552 1.00 0.00 C ATOM 0 H VAL A 67 -5.912 -7.376 2.709 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.694 -8.134 2.476 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.030 -9.550 2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.229 -11.652 1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.470 -11.087 3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.759 -10.871 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.873 -10.029 -0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.388 -9.179 0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.851 -8.282 0.296 1.00 0.00 H new ATOM 149 N CYS A 68 -9.176 -9.151 4.691 1.00 0.00 N ATOM 150 CA CYS A 68 -9.499 -9.650 6.022 1.00 0.00 C ATOM 151 C CYS A 68 -8.681 -10.897 6.348 1.00 0.00 C ATOM 152 O CYS A 68 -8.780 -11.915 5.663 1.00 0.00 O ATOM 153 CB CYS A 68 -10.993 -9.967 6.121 1.00 0.00 C ATOM 154 SG CYS A 68 -11.582 -10.242 7.823 1.00 0.00 S ATOM 0 H CYS A 68 -9.987 -8.988 4.094 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.250 -8.873 6.745 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.558 -9.146 5.680 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -11.206 -10.855 5.526 1.00 0.00 H new ATOM 159 N LYS A 69 -7.873 -10.809 7.399 1.00 0.00 N ATOM 160 CA LYS A 69 -7.038 -11.928 7.819 1.00 0.00 C ATOM 161 C LYS A 69 -7.887 -13.042 8.423 1.00 0.00 C ATOM 162 O LYS A 69 -7.456 -14.194 8.497 1.00 0.00 O ATOM 163 CB LYS A 69 -5.995 -11.459 8.835 1.00 0.00 C ATOM 164 CG LYS A 69 -6.597 -10.857 10.093 1.00 0.00 C ATOM 165 CD LYS A 69 -5.635 -9.892 10.765 1.00 0.00 C ATOM 166 CE LYS A 69 -5.642 -8.532 10.084 1.00 0.00 C ATOM 167 NZ LYS A 69 -4.419 -7.746 10.405 1.00 0.00 N ATOM 0 H LYS A 69 -7.779 -9.973 7.976 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.528 -12.320 6.939 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.365 -12.304 9.113 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.347 -10.720 8.363 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.521 -10.336 9.842 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.860 -11.654 10.789 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.908 -9.776 11.814 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.627 -10.306 10.742 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.715 -8.666 9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.525 -7.974 10.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.461 -6.826 9.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.363 -7.596 11.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.578 -8.267 10.085 1.00 0.00 H new ATOM 181 N HIS A 70 -9.096 -12.694 8.852 1.00 0.00 N ATOM 182 CA HIS A 70 -10.005 -13.666 9.448 1.00 0.00 C ATOM 183 C HIS A 70 -10.670 -14.519 8.371 1.00 0.00 C ATOM 184 O HIS A 70 -10.541 -15.743 8.369 1.00 0.00 O ATOM 185 CB HIS A 70 -11.071 -12.954 10.282 1.00 0.00 C ATOM 186 CG HIS A 70 -10.509 -11.963 11.254 1.00 0.00 C ATOM 187 ND1 HIS A 70 -9.927 -10.775 10.865 1.00 0.00 N ATOM 188 CD2 HIS A 70 -10.443 -11.989 12.605 1.00 0.00 C ATOM 189 CE1 HIS A 70 -9.526 -10.113 11.936 1.00 0.00 C ATOM 190 NE2 HIS A 70 -9.828 -10.828 13.005 1.00 0.00 N ATOM 0 H HIS A 70 -9.469 -11.746 8.798 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.424 -14.320 10.097 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.762 -12.442 9.612 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.650 -13.698 10.829 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -10.806 -12.776 13.249 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.035 -9.151 11.937 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.636 -10.561 13.971 1.00 0.00 H new ATOM 198 N TRP A 71 -11.380 -13.864 7.460 1.00 0.00 N ATOM 199 CA TRP A 71 -12.065 -14.563 6.379 1.00 0.00 C ATOM 200 C TRP A 71 -11.138 -15.569 5.707 1.00 0.00 C ATOM 201 O TRP A 71 -11.566 -16.652 5.305 1.00 0.00 O ATOM 202 CB TRP A 71 -12.586 -13.562 5.346 1.00 0.00 C ATOM 203 CG TRP A 71 -12.748 -14.151 3.978 1.00 0.00 C ATOM 204 CD1 TRP A 71 -13.829 -14.838 3.504 1.00 0.00 C ATOM 205 CD2 TRP A 71 -11.798 -14.105 2.907 1.00 0.00 C ATOM 206 NE1 TRP A 71 -13.608 -15.223 2.203 1.00 0.00 N ATOM 207 CE2 TRP A 71 -12.370 -14.784 1.814 1.00 0.00 C ATOM 208 CE3 TRP A 71 -10.522 -13.554 2.765 1.00 0.00 C ATOM 209 CZ2 TRP A 71 -11.707 -14.927 0.598 1.00 0.00 C ATOM 210 CZ3 TRP A 71 -9.865 -13.697 1.558 1.00 0.00 C ATOM 211 CH2 TRP A 71 -10.458 -14.378 0.487 1.00 0.00 C ATOM 0 H TRP A 71 -11.496 -12.851 7.448 1.00 0.00 H new ATOM 0 HA TRP A 71 -12.908 -15.105 6.808 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -13.547 -13.171 5.682 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.900 -12.717 5.291 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -14.726 -15.048 4.068 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -14.260 -15.750 1.622 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.057 -13.026 3.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.162 -15.453 -0.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -8.877 -13.277 1.438 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.919 -14.472 -0.444 1.00 0.00 H new ATOM 222 N LEU A 72 -9.865 -15.206 5.587 1.00 0.00 N ATOM 223 CA LEU A 72 -8.876 -16.078 4.963 1.00 0.00 C ATOM 224 C LEU A 72 -8.991 -17.502 5.499 1.00 0.00 C ATOM 225 O LEU A 72 -9.179 -18.449 4.735 1.00 0.00 O ATOM 226 CB LEU A 72 -7.466 -15.540 5.210 1.00 0.00 C ATOM 227 CG LEU A 72 -7.023 -14.381 4.315 1.00 0.00 C ATOM 228 CD1 LEU A 72 -5.677 -13.840 4.770 1.00 0.00 C ATOM 229 CD2 LEU A 72 -6.959 -14.825 2.861 1.00 0.00 C ATOM 0 H LEU A 72 -9.494 -14.314 5.914 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.068 -16.097 3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.399 -15.217 6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.759 -16.360 5.085 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.759 -13.581 4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.378 -13.016 4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.757 -13.483 5.797 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.930 -14.632 4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.642 -13.988 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.245 -15.642 2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.944 -15.163 2.540 1.00 0.00 H new ATOM 241 N ARG A 73 -8.878 -17.644 6.815 1.00 0.00 N ATOM 242 CA ARG A 73 -8.970 -18.952 7.453 1.00 0.00 C ATOM 243 C ARG A 73 -10.405 -19.249 7.880 1.00 0.00 C ATOM 244 O ARG A 73 -10.657 -20.186 8.637 1.00 0.00 O ATOM 245 CB ARG A 73 -8.041 -19.018 8.667 1.00 0.00 C ATOM 246 CG ARG A 73 -6.645 -19.521 8.339 1.00 0.00 C ATOM 247 CD ARG A 73 -6.643 -21.016 8.062 1.00 0.00 C ATOM 248 NE ARG A 73 -6.603 -21.801 9.293 1.00 0.00 N ATOM 249 CZ ARG A 73 -5.486 -22.059 9.963 1.00 0.00 C ATOM 250 NH1 ARG A 73 -4.323 -21.597 9.525 1.00 0.00 N ATOM 251 NH2 ARG A 73 -5.531 -22.781 11.076 1.00 0.00 N ATOM 0 H ARG A 73 -8.723 -16.870 7.461 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.662 -19.705 6.727 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.965 -18.025 9.110 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.486 -19.670 9.419 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.260 -18.988 7.470 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.974 -19.303 9.170 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -7.534 -21.280 7.492 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.782 -21.269 7.443 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.481 -22.171 9.658 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.284 -21.041 8.671 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.467 -21.797 10.042 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.424 -23.138 11.417 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.673 -22.979 11.590 1.00 0.00 H new ATOM 265 N GLY A 74 -11.342 -18.444 7.389 1.00 0.00 N ATOM 266 CA GLY A 74 -12.739 -18.636 7.731 1.00 0.00 C ATOM 267 C GLY A 74 -13.031 -18.311 9.182 1.00 0.00 C ATOM 268 O GLY A 74 -13.618 -19.120 9.902 1.00 0.00 O ATOM 0 H GLY A 74 -11.158 -17.662 6.760 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.356 -18.007 7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.020 -19.670 7.530 1.00 0.00 H new ATOM 272 N LEU A 75 -12.618 -17.125 9.616 1.00 0.00 N ATOM 273 CA LEU A 75 -12.837 -16.695 10.993 1.00 0.00 C ATOM 274 C LEU A 75 -13.676 -15.422 11.039 1.00 0.00 C ATOM 275 O LEU A 75 -13.627 -14.669 12.011 1.00 0.00 O ATOM 276 CB LEU A 75 -11.497 -16.462 11.694 1.00 0.00 C ATOM 277 CG LEU A 75 -10.718 -17.718 12.086 1.00 0.00 C ATOM 278 CD1 LEU A 75 -9.969 -18.278 10.887 1.00 0.00 C ATOM 279 CD2 LEU A 75 -9.755 -17.413 13.225 1.00 0.00 C ATOM 0 H LEU A 75 -12.130 -16.444 9.034 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.380 -17.485 11.513 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.868 -15.858 11.040 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.678 -15.875 12.594 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.428 -18.471 12.428 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.421 -19.171 11.185 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.680 -18.534 10.101 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.269 -17.530 10.514 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.209 -18.318 13.492 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.051 -16.643 12.910 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.315 -17.059 14.090 1.00 0.00 H new ATOM 291 N CYS A 76 -14.447 -15.190 9.982 1.00 0.00 N ATOM 292 CA CYS A 76 -15.299 -14.010 9.901 1.00 0.00 C ATOM 293 C CYS A 76 -16.743 -14.400 9.597 1.00 0.00 C ATOM 294 O CYS A 76 -17.000 -15.427 8.968 1.00 0.00 O ATOM 295 CB CYS A 76 -14.781 -13.053 8.826 1.00 0.00 C ATOM 296 SG CYS A 76 -15.157 -11.299 9.146 1.00 0.00 S ATOM 0 H CYS A 76 -14.499 -15.804 9.169 1.00 0.00 H new ATOM 0 HA CYS A 76 -15.273 -13.508 10.868 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -13.701 -13.172 8.739 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -15.211 -13.336 7.865 1.00 0.00 H new ATOM 301 N LYS A 77 -17.681 -13.575 10.048 1.00 0.00 N ATOM 302 CA LYS A 77 -19.099 -13.831 9.823 1.00 0.00 C ATOM 303 C LYS A 77 -19.812 -12.568 9.352 1.00 0.00 C ATOM 304 O LYS A 77 -21.024 -12.427 9.522 1.00 0.00 O ATOM 305 CB LYS A 77 -19.753 -14.352 11.105 1.00 0.00 C ATOM 306 CG LYS A 77 -20.918 -15.293 10.854 1.00 0.00 C ATOM 307 CD LYS A 77 -21.005 -16.370 11.922 1.00 0.00 C ATOM 308 CE LYS A 77 -21.094 -15.769 13.316 1.00 0.00 C ATOM 309 NZ LYS A 77 -19.750 -15.599 13.935 1.00 0.00 N ATOM 0 H LYS A 77 -17.485 -12.722 10.572 1.00 0.00 H new ATOM 0 HA LYS A 77 -19.187 -14.588 9.044 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.002 -14.869 11.702 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -20.102 -13.505 11.695 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.848 -14.725 10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -20.806 -15.759 9.875 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -21.878 -16.996 11.738 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.130 -17.017 11.859 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.594 -14.802 13.263 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.707 -16.410 13.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.821 -15.737 14.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.093 -16.300 13.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.396 -14.641 13.738 1.00 0.00 H new ATOM 323 N LYS A 78 -19.054 -11.652 8.759 1.00 0.00 N ATOM 324 CA LYS A 78 -19.614 -10.401 8.261 1.00 0.00 C ATOM 325 C LYS A 78 -19.874 -10.482 6.760 1.00 0.00 C ATOM 326 O LYS A 78 -20.990 -10.244 6.300 1.00 0.00 O ATOM 327 CB LYS A 78 -18.666 -9.238 8.563 1.00 0.00 C ATOM 328 CG LYS A 78 -18.336 -9.091 10.038 1.00 0.00 C ATOM 329 CD LYS A 78 -17.537 -7.827 10.307 1.00 0.00 C ATOM 330 CE LYS A 78 -17.657 -7.389 11.759 1.00 0.00 C ATOM 331 NZ LYS A 78 -16.438 -6.674 12.226 1.00 0.00 N ATOM 0 H LYS A 78 -18.050 -11.752 8.611 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.563 -10.229 8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.741 -9.380 8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -19.115 -8.311 8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -19.259 -9.070 10.618 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -17.769 -9.959 10.373 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.489 -7.999 10.064 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.888 -7.028 9.655 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -18.525 -6.739 11.871 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -17.829 -8.262 12.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -16.560 -6.392 13.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.614 -7.303 12.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.287 -5.827 11.642 1.00 0.00 H new ATOM 345 N GLY A 79 -18.836 -10.820 6.001 1.00 0.00 N ATOM 346 CA GLY A 79 -18.974 -10.926 4.560 1.00 0.00 C ATOM 347 C GLY A 79 -18.864 -9.584 3.866 1.00 0.00 C ATOM 348 O GLY A 79 -17.778 -9.010 3.779 1.00 0.00 O ATOM 0 H GLY A 79 -17.902 -11.022 6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.206 -11.595 4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -19.938 -11.376 4.323 1.00 0.00 H new ATOM 352 N ASP A 80 -19.989 -9.082 3.369 1.00 0.00 N ATOM 353 CA ASP A 80 -20.014 -7.798 2.678 1.00 0.00 C ATOM 354 C ASP A 80 -20.085 -6.646 3.675 1.00 0.00 C ATOM 355 O ASP A 80 -19.994 -5.479 3.295 1.00 0.00 O ATOM 356 CB ASP A 80 -21.205 -7.734 1.720 1.00 0.00 C ATOM 357 CG ASP A 80 -21.088 -6.594 0.727 1.00 0.00 C ATOM 358 OD1 ASP A 80 -20.023 -6.471 0.088 1.00 0.00 O ATOM 359 OD2 ASP A 80 -22.062 -5.824 0.591 1.00 0.00 O ATOM 0 H ASP A 80 -20.896 -9.545 3.432 1.00 0.00 H new ATOM 0 HA ASP A 80 -19.091 -7.703 2.106 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.283 -8.677 1.179 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -22.124 -7.619 2.295 1.00 0.00 H new ATOM 364 N GLN A 81 -20.250 -6.982 4.950 1.00 0.00 N ATOM 365 CA GLN A 81 -20.335 -5.975 6.001 1.00 0.00 C ATOM 366 C GLN A 81 -18.962 -5.699 6.603 1.00 0.00 C ATOM 367 O GLN A 81 -18.722 -4.631 7.167 1.00 0.00 O ATOM 368 CB GLN A 81 -21.304 -6.428 7.094 1.00 0.00 C ATOM 369 CG GLN A 81 -22.744 -6.544 6.622 1.00 0.00 C ATOM 370 CD GLN A 81 -22.880 -7.375 5.361 1.00 0.00 C ATOM 371 OE1 GLN A 81 -22.787 -6.856 4.249 1.00 0.00 O ATOM 372 NE2 GLN A 81 -23.101 -8.674 5.529 1.00 0.00 N ATOM 0 H GLN A 81 -20.328 -7.944 5.280 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.708 -5.052 5.556 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.978 -7.394 7.479 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -21.258 -5.722 7.923 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -23.347 -6.990 7.413 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -23.144 -5.547 6.440 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -23.171 -9.062 6.470 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -23.201 -9.284 4.717 1.00 0.00 H new ATOM 381 N CYS A 82 -18.062 -6.670 6.482 1.00 0.00 N ATOM 382 CA CYS A 82 -16.712 -6.534 7.015 1.00 0.00 C ATOM 383 C CYS A 82 -16.094 -5.203 6.597 1.00 0.00 C ATOM 384 O CYS A 82 -16.597 -4.529 5.699 1.00 0.00 O ATOM 385 CB CYS A 82 -15.833 -7.690 6.536 1.00 0.00 C ATOM 386 SG CYS A 82 -14.271 -7.868 7.456 1.00 0.00 S ATOM 0 H CYS A 82 -18.244 -7.560 6.019 1.00 0.00 H new ATOM 0 HA CYS A 82 -16.773 -6.560 8.103 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -16.397 -8.619 6.617 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -15.606 -7.546 5.480 1.00 0.00 H new ATOM 391 N GLU A 83 -15.000 -4.832 7.255 1.00 0.00 N ATOM 392 CA GLU A 83 -14.314 -3.582 6.952 1.00 0.00 C ATOM 393 C GLU A 83 -13.085 -3.833 6.083 1.00 0.00 C ATOM 394 O GLU A 83 -12.361 -2.902 5.728 1.00 0.00 O ATOM 395 CB GLU A 83 -13.903 -2.873 8.244 1.00 0.00 C ATOM 396 CG GLU A 83 -13.565 -3.825 9.379 1.00 0.00 C ATOM 397 CD GLU A 83 -12.589 -3.225 10.372 1.00 0.00 C ATOM 398 OE1 GLU A 83 -11.898 -2.250 10.009 1.00 0.00 O ATOM 399 OE2 GLU A 83 -12.515 -3.731 11.512 1.00 0.00 O ATOM 0 H GLU A 83 -14.570 -5.379 8.001 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.004 -2.943 6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.039 -2.240 8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.712 -2.216 8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.481 -4.104 9.899 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.141 -4.741 8.966 1.00 0.00 H new ATOM 406 N PHE A 84 -12.855 -5.097 5.745 1.00 0.00 N ATOM 407 CA PHE A 84 -11.713 -5.472 4.919 1.00 0.00 C ATOM 408 C PHE A 84 -12.164 -6.262 3.694 1.00 0.00 C ATOM 409 O PHE A 84 -13.299 -6.734 3.628 1.00 0.00 O ATOM 410 CB PHE A 84 -10.717 -6.300 5.735 1.00 0.00 C ATOM 411 CG PHE A 84 -10.126 -5.553 6.896 1.00 0.00 C ATOM 412 CD1 PHE A 84 -10.773 -5.526 8.121 1.00 0.00 C ATOM 413 CD2 PHE A 84 -8.924 -4.876 6.762 1.00 0.00 C ATOM 414 CE1 PHE A 84 -10.232 -4.840 9.192 1.00 0.00 C ATOM 415 CE2 PHE A 84 -8.378 -4.188 7.830 1.00 0.00 C ATOM 416 CZ PHE A 84 -9.033 -4.169 9.046 1.00 0.00 C ATOM 0 H PHE A 84 -13.444 -5.879 6.030 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.225 -4.558 4.581 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.218 -7.194 6.106 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.912 -6.634 5.080 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.711 -6.047 8.240 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.408 -4.886 5.813 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.746 -4.828 10.142 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.440 -3.666 7.713 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.609 -3.631 9.881 1.00 0.00 H new ATOM 426 N LEU A 85 -11.266 -6.400 2.724 1.00 0.00 N ATOM 427 CA LEU A 85 -11.570 -7.132 1.499 1.00 0.00 C ATOM 428 C LEU A 85 -11.605 -8.635 1.756 1.00 0.00 C ATOM 429 O LEU A 85 -10.765 -9.171 2.479 1.00 0.00 O ATOM 430 CB LEU A 85 -10.534 -6.811 0.420 1.00 0.00 C ATOM 431 CG LEU A 85 -10.730 -5.492 -0.329 1.00 0.00 C ATOM 432 CD1 LEU A 85 -9.421 -5.032 -0.951 1.00 0.00 C ATOM 433 CD2 LEU A 85 -11.807 -5.639 -1.394 1.00 0.00 C ATOM 0 H LEU A 85 -10.322 -6.015 2.762 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.555 -6.819 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.548 -6.799 0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.534 -7.622 -0.308 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.054 -4.735 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.580 -4.092 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.677 -4.886 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.066 -5.787 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.933 -4.691 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.512 -6.410 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.748 -5.922 -0.923 1.00 0.00 H new ATOM 445 N HIS A 86 -12.581 -9.310 1.159 1.00 0.00 N ATOM 446 CA HIS A 86 -12.724 -10.752 1.321 1.00 0.00 C ATOM 447 C HIS A 86 -12.279 -11.488 0.060 1.00 0.00 C ATOM 448 O HIS A 86 -12.686 -12.623 -0.183 1.00 0.00 O ATOM 449 CB HIS A 86 -14.174 -11.109 1.648 1.00 0.00 C ATOM 450 CG HIS A 86 -14.503 -11.004 3.106 1.00 0.00 C ATOM 451 ND1 HIS A 86 -15.586 -11.634 3.680 1.00 0.00 N ATOM 452 CD2 HIS A 86 -13.883 -10.337 4.107 1.00 0.00 C ATOM 453 CE1 HIS A 86 -15.619 -11.359 4.972 1.00 0.00 C ATOM 454 NE2 HIS A 86 -14.596 -10.573 5.256 1.00 0.00 N ATOM 0 H HIS A 86 -13.285 -8.881 0.558 1.00 0.00 H new ATOM 0 HA HIS A 86 -12.085 -11.064 2.147 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -14.837 -10.451 1.086 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.374 -12.126 1.311 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -16.257 -12.221 3.185 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.993 -9.732 4.018 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.356 -11.716 5.676 1.00 0.00 H new ATOM 462 N GLU A 87 -11.442 -10.832 -0.737 1.00 0.00 N ATOM 463 CA GLU A 87 -10.943 -11.424 -1.973 1.00 0.00 C ATOM 464 C GLU A 87 -9.418 -11.452 -1.986 1.00 0.00 C ATOM 465 O GLU A 87 -8.765 -10.482 -1.600 1.00 0.00 O ATOM 466 CB GLU A 87 -11.461 -10.643 -3.183 1.00 0.00 C ATOM 467 CG GLU A 87 -11.021 -9.189 -3.203 1.00 0.00 C ATOM 468 CD GLU A 87 -11.206 -8.542 -4.562 1.00 0.00 C ATOM 469 OE1 GLU A 87 -12.304 -8.679 -5.141 1.00 0.00 O ATOM 470 OE2 GLU A 87 -10.252 -7.898 -5.047 1.00 0.00 O ATOM 0 H GLU A 87 -11.095 -9.891 -0.549 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.308 -12.450 -2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.116 -11.131 -4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.550 -10.684 -3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.589 -8.631 -2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.972 -9.127 -2.915 1.00 0.00 H new ATOM 477 N TYR A 88 -8.856 -12.570 -2.433 1.00 0.00 N ATOM 478 CA TYR A 88 -7.408 -12.726 -2.494 1.00 0.00 C ATOM 479 C TYR A 88 -6.827 -11.963 -3.680 1.00 0.00 C ATOM 480 O TYR A 88 -6.931 -12.401 -4.826 1.00 0.00 O ATOM 481 CB TYR A 88 -7.038 -14.207 -2.596 1.00 0.00 C ATOM 482 CG TYR A 88 -5.733 -14.553 -1.915 1.00 0.00 C ATOM 483 CD1 TYR A 88 -4.515 -14.312 -2.540 1.00 0.00 C ATOM 484 CD2 TYR A 88 -5.717 -15.121 -0.648 1.00 0.00 C ATOM 485 CE1 TYR A 88 -3.321 -14.627 -1.923 1.00 0.00 C ATOM 486 CE2 TYR A 88 -4.527 -15.438 -0.022 1.00 0.00 C ATOM 487 CZ TYR A 88 -3.332 -15.190 -0.663 1.00 0.00 C ATOM 488 OH TYR A 88 -2.144 -15.505 -0.044 1.00 0.00 O ATOM 0 H TYR A 88 -9.382 -13.381 -2.758 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.985 -12.314 -1.578 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.837 -14.804 -2.156 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.974 -14.485 -3.648 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.503 -13.871 -3.526 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.651 -15.318 -0.143 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.384 -14.434 -2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.533 -15.878 0.964 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.327 -15.892 0.838 1.00 0.00 H new ATOM 498 N ASP A 89 -6.215 -10.818 -3.396 1.00 0.00 N ATOM 499 CA ASP A 89 -5.615 -9.993 -4.438 1.00 0.00 C ATOM 500 C ASP A 89 -4.156 -9.686 -4.116 1.00 0.00 C ATOM 501 O ASP A 89 -3.821 -9.330 -2.987 1.00 0.00 O ATOM 502 CB ASP A 89 -6.399 -8.689 -4.600 1.00 0.00 C ATOM 503 CG ASP A 89 -6.293 -8.121 -6.002 1.00 0.00 C ATOM 504 OD1 ASP A 89 -5.236 -8.309 -6.640 1.00 0.00 O ATOM 505 OD2 ASP A 89 -7.267 -7.488 -6.460 1.00 0.00 O ATOM 0 H ASP A 89 -6.122 -10.440 -2.453 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.652 -10.550 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.448 -8.867 -4.361 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.029 -7.955 -3.884 1.00 0.00 H new ATOM 510 N MET A 90 -3.292 -9.830 -5.116 1.00 0.00 N ATOM 511 CA MET A 90 -1.869 -9.568 -4.938 1.00 0.00 C ATOM 512 C MET A 90 -1.593 -8.068 -4.892 1.00 0.00 C ATOM 513 O MET A 90 -0.492 -7.639 -4.546 1.00 0.00 O ATOM 514 CB MET A 90 -1.065 -10.211 -6.070 1.00 0.00 C ATOM 515 CG MET A 90 -1.325 -11.700 -6.230 1.00 0.00 C ATOM 516 SD MET A 90 -1.326 -12.578 -4.655 1.00 0.00 S ATOM 517 CE MET A 90 0.409 -12.494 -4.218 1.00 0.00 C ATOM 0 H MET A 90 -3.552 -10.126 -6.057 1.00 0.00 H new ATOM 0 HA MET A 90 -1.561 -10.005 -3.988 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.303 -9.706 -7.006 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.002 -10.054 -5.885 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.286 -11.846 -6.724 1.00 0.00 H new ATOM 0 HG3 MET A 90 -0.564 -12.130 -6.881 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.569 -12.996 -3.264 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.003 -12.984 -4.989 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.713 -11.451 -4.135 1.00 0.00 H new ATOM 527 N THR A 91 -2.600 -7.275 -5.242 1.00 0.00 N ATOM 528 CA THR A 91 -2.466 -5.824 -5.242 1.00 0.00 C ATOM 529 C THR A 91 -3.163 -5.207 -4.034 1.00 0.00 C ATOM 530 O THR A 91 -2.797 -4.123 -3.579 1.00 0.00 O ATOM 531 CB THR A 91 -3.047 -5.205 -6.527 1.00 0.00 C ATOM 532 OG1 THR A 91 -4.478 -5.262 -6.495 1.00 0.00 O ATOM 533 CG2 THR A 91 -2.533 -5.934 -7.759 1.00 0.00 C ATOM 0 H THR A 91 -3.518 -7.614 -5.529 1.00 0.00 H new ATOM 0 HA THR A 91 -1.399 -5.606 -5.193 1.00 0.00 H new ATOM 0 HB THR A 91 -2.726 -4.165 -6.580 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.840 -4.865 -7.315 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.957 -5.479 -8.654 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.446 -5.864 -7.796 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.827 -6.982 -7.711 1.00 0.00 H new ATOM 541 N LYS A 92 -4.170 -5.905 -3.519 1.00 0.00 N ATOM 542 CA LYS A 92 -4.918 -5.427 -2.362 1.00 0.00 C ATOM 543 C LYS A 92 -4.334 -5.986 -1.068 1.00 0.00 C ATOM 544 O LYS A 92 -4.206 -5.271 -0.075 1.00 0.00 O ATOM 545 CB LYS A 92 -6.391 -5.825 -2.482 1.00 0.00 C ATOM 546 CG LYS A 92 -6.988 -5.538 -3.849 1.00 0.00 C ATOM 547 CD LYS A 92 -7.617 -4.156 -3.904 1.00 0.00 C ATOM 548 CE LYS A 92 -6.559 -3.064 -3.952 1.00 0.00 C ATOM 549 NZ LYS A 92 -7.098 -1.793 -4.508 1.00 0.00 N ATOM 0 H LYS A 92 -4.487 -6.803 -3.884 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.842 -4.340 -2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.490 -6.889 -2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.966 -5.292 -1.724 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.211 -5.616 -4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.741 -6.291 -4.084 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.258 -4.082 -4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.253 -4.010 -3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.175 -2.887 -2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.719 -3.399 -4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.346 -1.075 -4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.442 -1.956 -5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.883 -1.459 -3.913 1.00 0.00 H new ATOM 563 N MET A 93 -3.981 -7.267 -1.088 1.00 0.00 N ATOM 564 CA MET A 93 -3.408 -7.919 0.084 1.00 0.00 C ATOM 565 C MET A 93 -2.112 -7.235 0.507 1.00 0.00 C ATOM 566 O MET A 93 -1.410 -6.626 -0.300 1.00 0.00 O ATOM 567 CB MET A 93 -3.146 -9.398 -0.207 1.00 0.00 C ATOM 568 CG MET A 93 -1.839 -9.652 -0.941 1.00 0.00 C ATOM 569 SD MET A 93 -1.550 -11.402 -1.261 1.00 0.00 S ATOM 570 CE MET A 93 -1.676 -12.075 0.394 1.00 0.00 C ATOM 0 H MET A 93 -4.081 -7.874 -1.902 1.00 0.00 H new ATOM 0 HA MET A 93 -4.125 -7.838 0.901 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.138 -9.949 0.734 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.970 -9.794 -0.801 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.847 -9.110 -1.887 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.013 -9.253 -0.352 1.00 0.00 H new ATOM 0 HE1 MET A 93 -1.170 -13.040 0.434 1.00 0.00 H new ATOM 0 HE2 MET A 93 -1.208 -11.391 1.102 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.726 -12.205 0.655 1.00 0.00 H new ATOM 580 N PRO A 94 -1.785 -7.337 1.804 1.00 0.00 N ATOM 581 CA PRO A 94 -0.571 -6.734 2.364 1.00 0.00 C ATOM 582 C PRO A 94 0.697 -7.435 1.889 1.00 0.00 C ATOM 583 O PRO A 94 0.653 -8.583 1.446 1.00 0.00 O ATOM 584 CB PRO A 94 -0.749 -6.915 3.874 1.00 0.00 C ATOM 585 CG PRO A 94 -1.651 -8.093 4.010 1.00 0.00 C ATOM 586 CD PRO A 94 -2.574 -8.048 2.824 1.00 0.00 C ATOM 0 HA PRO A 94 -0.453 -5.695 2.056 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.207 -7.089 4.367 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.186 -6.027 4.331 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.080 -9.022 4.025 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.213 -8.049 4.943 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.851 -9.049 2.492 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.500 -7.521 3.055 1.00 0.00 H new ATOM 594 N GLU A 95 1.824 -6.738 1.985 1.00 0.00 N ATOM 595 CA GLU A 95 3.104 -7.296 1.564 1.00 0.00 C ATOM 596 C GLU A 95 3.685 -8.203 2.645 1.00 0.00 C ATOM 597 O GLU A 95 3.151 -8.289 3.751 1.00 0.00 O ATOM 598 CB GLU A 95 4.093 -6.173 1.239 1.00 0.00 C ATOM 599 CG GLU A 95 3.616 -5.241 0.138 1.00 0.00 C ATOM 600 CD GLU A 95 2.830 -4.060 0.673 1.00 0.00 C ATOM 601 OE1 GLU A 95 2.935 -3.777 1.885 1.00 0.00 O ATOM 602 OE2 GLU A 95 2.110 -3.419 -0.120 1.00 0.00 O ATOM 0 H GLU A 95 1.877 -5.787 2.350 1.00 0.00 H new ATOM 0 HA GLU A 95 2.934 -7.892 0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.278 -5.591 2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.045 -6.613 0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.477 -4.876 -0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.994 -5.800 -0.562 1.00 0.00 H new ATOM 609 N CYS A 96 4.781 -8.878 2.316 1.00 0.00 N ATOM 610 CA CYS A 96 5.435 -9.780 3.257 1.00 0.00 C ATOM 611 C CYS A 96 5.972 -9.013 4.462 1.00 0.00 C ATOM 612 O CYS A 96 6.862 -8.173 4.330 1.00 0.00 O ATOM 613 CB CYS A 96 6.575 -10.531 2.567 1.00 0.00 C ATOM 614 SG CYS A 96 7.117 -12.031 3.447 1.00 0.00 S ATOM 0 H CYS A 96 5.235 -8.818 1.405 1.00 0.00 H new ATOM 0 HA CYS A 96 4.695 -10.499 3.607 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.258 -10.807 1.562 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.426 -9.858 2.459 1.00 0.00 H new ATOM 619 N TYR A 97 5.424 -9.309 5.636 1.00 0.00 N ATOM 620 CA TYR A 97 5.846 -8.647 6.864 1.00 0.00 C ATOM 621 C TYR A 97 7.362 -8.709 7.024 1.00 0.00 C ATOM 622 O TYR A 97 7.997 -7.730 7.417 1.00 0.00 O ATOM 623 CB TYR A 97 5.168 -9.291 8.075 1.00 0.00 C ATOM 624 CG TYR A 97 5.991 -9.218 9.340 1.00 0.00 C ATOM 625 CD1 TYR A 97 6.622 -8.037 9.715 1.00 0.00 C ATOM 626 CD2 TYR A 97 6.139 -10.328 10.162 1.00 0.00 C ATOM 627 CE1 TYR A 97 7.377 -7.966 10.870 1.00 0.00 C ATOM 628 CE2 TYR A 97 6.890 -10.265 11.320 1.00 0.00 C ATOM 629 CZ TYR A 97 7.507 -9.082 11.669 1.00 0.00 C ATOM 630 OH TYR A 97 8.257 -9.016 12.821 1.00 0.00 O ATOM 0 H TYR A 97 4.687 -10.003 5.762 1.00 0.00 H new ATOM 0 HA TYR A 97 5.548 -7.600 6.802 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.209 -8.802 8.247 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.957 -10.336 7.849 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.520 -7.160 9.093 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.659 -11.257 9.891 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.863 -7.041 11.145 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.993 -11.137 11.948 1.00 0.00 H new ATOM 0 HH TYR A 97 8.246 -9.888 13.269 1.00 0.00 H new ATOM 640 N PHE A 98 7.936 -9.867 6.716 1.00 0.00 N ATOM 641 CA PHE A 98 9.377 -10.059 6.825 1.00 0.00 C ATOM 642 C PHE A 98 10.124 -9.111 5.891 1.00 0.00 C ATOM 643 O PHE A 98 10.900 -8.266 6.337 1.00 0.00 O ATOM 644 CB PHE A 98 9.746 -11.508 6.501 1.00 0.00 C ATOM 645 CG PHE A 98 9.105 -12.509 7.418 1.00 0.00 C ATOM 646 CD1 PHE A 98 9.717 -12.872 8.607 1.00 0.00 C ATOM 647 CD2 PHE A 98 7.889 -13.089 7.092 1.00 0.00 C ATOM 648 CE1 PHE A 98 9.129 -13.792 9.454 1.00 0.00 C ATOM 649 CE2 PHE A 98 7.296 -14.010 7.935 1.00 0.00 C ATOM 650 CZ PHE A 98 7.918 -14.363 9.117 1.00 0.00 C ATOM 0 H PHE A 98 7.425 -10.687 6.389 1.00 0.00 H new ATOM 0 HA PHE A 98 9.671 -9.837 7.851 1.00 0.00 H new ATOM 0 HB2 PHE A 98 9.453 -11.728 5.474 1.00 0.00 H new ATOM 0 HB3 PHE A 98 10.829 -11.619 6.555 1.00 0.00 H new ATOM 0 HD1 PHE A 98 10.665 -12.430 8.875 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.399 -12.818 6.168 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.616 -14.064 10.379 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.347 -14.453 7.670 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.458 -15.084 9.776 1.00 0.00 H new ATOM 660 N TYR A 99 9.885 -9.259 4.592 1.00 0.00 N ATOM 661 CA TYR A 99 10.537 -8.420 3.594 1.00 0.00 C ATOM 662 C TYR A 99 10.194 -6.949 3.812 1.00 0.00 C ATOM 663 O TYR A 99 10.921 -6.059 3.371 1.00 0.00 O ATOM 664 CB TYR A 99 10.121 -8.848 2.186 1.00 0.00 C ATOM 665 CG TYR A 99 11.198 -8.640 1.147 1.00 0.00 C ATOM 666 CD1 TYR A 99 12.262 -9.527 1.033 1.00 0.00 C ATOM 667 CD2 TYR A 99 11.154 -7.556 0.278 1.00 0.00 C ATOM 668 CE1 TYR A 99 13.250 -9.340 0.085 1.00 0.00 C ATOM 669 CE2 TYR A 99 12.136 -7.363 -0.673 1.00 0.00 C ATOM 670 CZ TYR A 99 13.182 -8.257 -0.766 1.00 0.00 C ATOM 671 OH TYR A 99 14.163 -8.067 -1.712 1.00 0.00 O ATOM 0 H TYR A 99 9.244 -9.953 4.206 1.00 0.00 H new ATOM 0 HA TYR A 99 11.615 -8.544 3.700 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.843 -9.902 2.203 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.232 -8.289 1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.318 -10.377 1.697 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.337 -6.853 0.348 1.00 0.00 H new ATOM 0 HE1 TYR A 99 14.071 -10.038 0.011 1.00 0.00 H new ATOM 0 HE2 TYR A 99 12.085 -6.516 -1.341 1.00 0.00 H new ATOM 0 HH TYR A 99 13.965 -7.259 -2.231 1.00 0.00 H new ATOM 681 N SER A 100 9.082 -6.702 4.498 1.00 0.00 N ATOM 682 CA SER A 100 8.640 -5.340 4.773 1.00 0.00 C ATOM 683 C SER A 100 9.185 -4.852 6.112 1.00 0.00 C ATOM 684 O SER A 100 9.134 -3.661 6.420 1.00 0.00 O ATOM 685 CB SER A 100 7.112 -5.268 4.774 1.00 0.00 C ATOM 686 OG SER A 100 6.662 -4.007 5.239 1.00 0.00 O ATOM 0 H SER A 100 8.471 -7.427 4.873 1.00 0.00 H new ATOM 0 HA SER A 100 9.026 -4.693 3.986 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.736 -5.443 3.766 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.708 -6.058 5.407 1.00 0.00 H new ATOM 0 HG SER A 100 7.391 -3.554 5.712 1.00 0.00 H new ATOM 692 N LYS A 101 9.706 -5.782 6.906 1.00 0.00 N ATOM 693 CA LYS A 101 10.261 -5.450 8.212 1.00 0.00 C ATOM 694 C LYS A 101 11.786 -5.476 8.177 1.00 0.00 C ATOM 695 O LYS A 101 12.439 -4.447 8.356 1.00 0.00 O ATOM 696 CB LYS A 101 9.748 -6.427 9.271 1.00 0.00 C ATOM 697 CG LYS A 101 10.658 -6.545 10.482 1.00 0.00 C ATOM 698 CD LYS A 101 11.062 -5.180 11.011 1.00 0.00 C ATOM 699 CE LYS A 101 10.085 -4.679 12.064 1.00 0.00 C ATOM 700 NZ LYS A 101 10.176 -3.204 12.248 1.00 0.00 N ATOM 0 H LYS A 101 9.755 -6.772 6.667 1.00 0.00 H new ATOM 0 HA LYS A 101 9.938 -4.442 8.471 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.759 -6.107 9.600 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.630 -7.412 8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.149 -7.105 11.267 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.550 -7.111 10.214 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.063 -5.236 11.439 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.107 -4.468 10.187 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.069 -4.947 11.773 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.287 -5.176 13.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.495 -2.902 12.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.138 -2.951 12.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.958 -2.728 11.349 1.00 0.00 H new ATOM 714 N PHE A 102 12.348 -6.658 7.945 1.00 0.00 N ATOM 715 CA PHE A 102 13.796 -6.817 7.886 1.00 0.00 C ATOM 716 C PHE A 102 14.295 -6.730 6.447 1.00 0.00 C ATOM 717 O PHE A 102 15.440 -6.357 6.197 1.00 0.00 O ATOM 718 CB PHE A 102 14.208 -8.157 8.500 1.00 0.00 C ATOM 719 CG PHE A 102 13.481 -8.482 9.773 1.00 0.00 C ATOM 720 CD1 PHE A 102 13.959 -8.033 10.994 1.00 0.00 C ATOM 721 CD2 PHE A 102 12.319 -9.236 9.750 1.00 0.00 C ATOM 722 CE1 PHE A 102 13.292 -8.330 12.168 1.00 0.00 C ATOM 723 CE2 PHE A 102 11.647 -9.536 10.920 1.00 0.00 C ATOM 724 CZ PHE A 102 12.135 -9.083 12.131 1.00 0.00 C ATOM 0 H PHE A 102 11.823 -7.519 7.795 1.00 0.00 H new ATOM 0 HA PHE A 102 14.249 -6.007 8.458 1.00 0.00 H new ATOM 0 HB2 PHE A 102 14.027 -8.951 7.775 1.00 0.00 H new ATOM 0 HB3 PHE A 102 15.280 -8.143 8.697 1.00 0.00 H new ATOM 0 HD1 PHE A 102 14.864 -7.444 11.029 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.934 -9.594 8.807 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.675 -7.974 13.113 1.00 0.00 H new ATOM 0 HE2 PHE A 102 10.742 -10.124 10.888 1.00 0.00 H new ATOM 0 HZ PHE A 102 11.613 -9.317 13.047 1.00 0.00 H new ATOM 734 N GLY A 103 13.425 -7.077 5.503 1.00 0.00 N ATOM 735 CA GLY A 103 13.795 -7.032 4.100 1.00 0.00 C ATOM 736 C GLY A 103 14.605 -8.241 3.675 1.00 0.00 C ATOM 737 O GLY A 103 15.442 -8.151 2.777 1.00 0.00 O ATOM 0 H GLY A 103 12.471 -7.388 5.685 1.00 0.00 H new ATOM 0 HA2 GLY A 103 12.893 -6.971 3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.371 -6.127 3.908 1.00 0.00 H new ATOM 741 N GLU A 104 14.357 -9.375 4.323 1.00 0.00 N ATOM 742 CA GLU A 104 15.072 -10.606 4.007 1.00 0.00 C ATOM 743 C GLU A 104 14.136 -11.810 4.070 1.00 0.00 C ATOM 744 O GLU A 104 13.662 -12.188 5.142 1.00 0.00 O ATOM 745 CB GLU A 104 16.242 -10.805 4.973 1.00 0.00 C ATOM 746 CG GLU A 104 17.014 -9.529 5.263 1.00 0.00 C ATOM 747 CD GLU A 104 18.302 -9.787 6.021 1.00 0.00 C ATOM 748 OE1 GLU A 104 19.125 -10.593 5.538 1.00 0.00 O ATOM 749 OE2 GLU A 104 18.488 -9.182 7.098 1.00 0.00 O ATOM 0 H GLU A 104 13.667 -9.467 5.069 1.00 0.00 H new ATOM 0 HA GLU A 104 15.459 -10.521 2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.863 -11.212 5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.924 -11.546 4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.244 -9.026 4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.386 -8.852 5.841 1.00 0.00 H new ATOM 756 N CYS A 105 13.873 -12.409 2.913 1.00 0.00 N ATOM 757 CA CYS A 105 12.994 -13.569 2.834 1.00 0.00 C ATOM 758 C CYS A 105 13.544 -14.604 1.857 1.00 0.00 C ATOM 759 O CYS A 105 13.795 -14.299 0.691 1.00 0.00 O ATOM 760 CB CYS A 105 11.589 -13.142 2.405 1.00 0.00 C ATOM 761 SG CYS A 105 10.276 -14.308 2.891 1.00 0.00 S ATOM 0 H CYS A 105 14.257 -12.109 2.017 1.00 0.00 H new ATOM 0 HA CYS A 105 12.942 -14.022 3.824 1.00 0.00 H new ATOM 0 HB2 CYS A 105 11.370 -12.165 2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 105 11.572 -13.023 1.322 1.00 0.00 H new ATOM 766 N SER A 106 13.729 -15.827 2.341 1.00 0.00 N ATOM 767 CA SER A 106 14.253 -16.906 1.512 1.00 0.00 C ATOM 768 C SER A 106 13.128 -17.818 1.031 1.00 0.00 C ATOM 769 O SER A 106 13.256 -19.041 1.048 1.00 0.00 O ATOM 770 CB SER A 106 15.287 -17.721 2.291 1.00 0.00 C ATOM 771 OG SER A 106 16.297 -16.884 2.828 1.00 0.00 O ATOM 0 H SER A 106 13.524 -16.096 3.303 1.00 0.00 H new ATOM 0 HA SER A 106 14.733 -16.460 0.641 1.00 0.00 H new ATOM 0 HB2 SER A 106 14.794 -18.264 3.097 1.00 0.00 H new ATOM 0 HB3 SER A 106 15.738 -18.465 1.634 1.00 0.00 H new ATOM 0 HG SER A 106 16.944 -17.429 3.323 1.00 0.00 H new ATOM 777 N ASN A 107 12.025 -17.211 0.604 1.00 0.00 N ATOM 778 CA ASN A 107 10.876 -17.967 0.120 1.00 0.00 C ATOM 779 C ASN A 107 10.580 -17.631 -1.339 1.00 0.00 C ATOM 780 O ASN A 107 10.159 -16.519 -1.658 1.00 0.00 O ATOM 781 CB ASN A 107 9.647 -17.675 0.982 1.00 0.00 C ATOM 782 CG ASN A 107 9.588 -18.549 2.220 1.00 0.00 C ATOM 783 OD1 ASN A 107 10.334 -19.520 2.344 1.00 0.00 O ATOM 784 ND2 ASN A 107 8.697 -18.207 3.144 1.00 0.00 N ATOM 0 H ASN A 107 11.903 -16.199 0.583 1.00 0.00 H new ATOM 0 HA ASN A 107 11.115 -19.028 0.189 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.657 -16.627 1.281 1.00 0.00 H new ATOM 0 HB3 ASN A 107 8.746 -17.829 0.389 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.611 -18.758 3.998 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.099 -17.394 2.999 1.00 0.00 H new ATOM 791 N LYS A 108 10.801 -18.600 -2.220 1.00 0.00 N ATOM 792 CA LYS A 108 10.556 -18.410 -3.645 1.00 0.00 C ATOM 793 C LYS A 108 9.061 -18.395 -3.943 1.00 0.00 C ATOM 794 O LYS A 108 8.589 -17.602 -4.757 1.00 0.00 O ATOM 795 CB LYS A 108 11.237 -19.517 -4.453 1.00 0.00 C ATOM 796 CG LYS A 108 10.913 -19.475 -5.936 1.00 0.00 C ATOM 797 CD LYS A 108 11.532 -18.261 -6.608 1.00 0.00 C ATOM 798 CE LYS A 108 12.925 -18.566 -7.136 1.00 0.00 C ATOM 799 NZ LYS A 108 13.978 -18.288 -6.120 1.00 0.00 N ATOM 0 H LYS A 108 11.150 -19.526 -1.972 1.00 0.00 H new ATOM 0 HA LYS A 108 10.976 -17.447 -3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.316 -19.438 -4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.937 -20.485 -4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.279 -20.383 -6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.832 -19.456 -6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.894 -17.934 -7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.584 -17.437 -5.896 1.00 0.00 H new ATOM 0 HE2 LYS A 108 12.978 -19.612 -7.437 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.114 -17.968 -8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.872 -18.060 -6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.687 -17.483 -5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 14.111 -19.127 -5.520 1.00 0.00 H new ATOM 813 N GLU A 109 8.320 -19.276 -3.277 1.00 0.00 N ATOM 814 CA GLU A 109 6.878 -19.362 -3.472 1.00 0.00 C ATOM 815 C GLU A 109 6.133 -18.647 -2.347 1.00 0.00 C ATOM 816 O GLU A 109 5.116 -19.134 -1.853 1.00 0.00 O ATOM 817 CB GLU A 109 6.436 -20.825 -3.540 1.00 0.00 C ATOM 818 CG GLU A 109 7.124 -21.617 -4.640 1.00 0.00 C ATOM 819 CD GLU A 109 6.270 -22.759 -5.157 1.00 0.00 C ATOM 820 OE1 GLU A 109 5.642 -23.453 -4.330 1.00 0.00 O ATOM 821 OE2 GLU A 109 6.230 -22.958 -6.389 1.00 0.00 O ATOM 0 H GLU A 109 8.695 -19.939 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 109 6.635 -18.872 -4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.637 -21.302 -2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.358 -20.863 -3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.369 -20.948 -5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.066 -22.015 -4.262 1.00 0.00 H new ATOM 828 N CYS A 110 6.648 -17.489 -1.948 1.00 0.00 N ATOM 829 CA CYS A 110 6.035 -16.706 -0.882 1.00 0.00 C ATOM 830 C CYS A 110 4.736 -16.062 -1.358 1.00 0.00 C ATOM 831 O CYS A 110 4.713 -15.287 -2.315 1.00 0.00 O ATOM 832 CB CYS A 110 7.003 -15.627 -0.392 1.00 0.00 C ATOM 833 SG CYS A 110 6.679 -15.054 1.307 1.00 0.00 S ATOM 0 H CYS A 110 7.489 -17.072 -2.347 1.00 0.00 H new ATOM 0 HA CYS A 110 5.805 -17.380 -0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 110 8.020 -16.015 -0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 110 6.951 -14.774 -1.068 1.00 0.00 H new ATOM 838 N PRO A 111 3.629 -16.387 -0.675 1.00 0.00 N ATOM 839 CA PRO A 111 2.306 -15.851 -1.009 1.00 0.00 C ATOM 840 C PRO A 111 2.185 -14.365 -0.689 1.00 0.00 C ATOM 841 O PRO A 111 1.120 -13.770 -0.850 1.00 0.00 O ATOM 842 CB PRO A 111 1.359 -16.668 -0.127 1.00 0.00 C ATOM 843 CG PRO A 111 2.197 -17.105 1.025 1.00 0.00 C ATOM 844 CD PRO A 111 3.583 -17.304 0.476 1.00 0.00 C ATOM 0 HA PRO A 111 2.091 -15.930 -2.075 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.511 -16.069 0.205 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.953 -17.523 -0.668 1.00 0.00 H new ATOM 0 HG2 PRO A 111 2.194 -16.355 1.816 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.813 -18.028 1.459 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.347 -17.060 1.215 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.751 -18.338 0.173 1.00 0.00 H new ATOM 852 N PHE A 112 3.283 -13.771 -0.234 1.00 0.00 N ATOM 853 CA PHE A 112 3.300 -12.354 0.110 1.00 0.00 C ATOM 854 C PHE A 112 4.125 -11.560 -0.897 1.00 0.00 C ATOM 855 O PHE A 112 4.989 -12.110 -1.582 1.00 0.00 O ATOM 856 CB PHE A 112 3.864 -12.156 1.518 1.00 0.00 C ATOM 857 CG PHE A 112 2.836 -12.307 2.603 1.00 0.00 C ATOM 858 CD1 PHE A 112 1.818 -11.377 2.745 1.00 0.00 C ATOM 859 CD2 PHE A 112 2.888 -13.377 3.481 1.00 0.00 C ATOM 860 CE1 PHE A 112 0.870 -11.513 3.741 1.00 0.00 C ATOM 861 CE2 PHE A 112 1.943 -13.518 4.479 1.00 0.00 C ATOM 862 CZ PHE A 112 0.933 -12.584 4.610 1.00 0.00 C ATOM 0 H PHE A 112 4.173 -14.249 -0.095 1.00 0.00 H new ATOM 0 HA PHE A 112 2.274 -11.987 0.082 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.665 -12.877 1.685 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.309 -11.163 1.586 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.765 -10.536 2.069 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.676 -14.109 3.384 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.081 -10.782 3.840 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.994 -14.358 5.156 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.194 -12.692 5.391 1.00 0.00 H new ATOM 872 N LEU A 113 3.854 -10.262 -0.984 1.00 0.00 N ATOM 873 CA LEU A 113 4.570 -9.390 -1.908 1.00 0.00 C ATOM 874 C LEU A 113 5.975 -9.089 -1.394 1.00 0.00 C ATOM 875 O LEU A 113 6.173 -8.848 -0.203 1.00 0.00 O ATOM 876 CB LEU A 113 3.798 -8.085 -2.110 1.00 0.00 C ATOM 877 CG LEU A 113 2.398 -8.220 -2.709 1.00 0.00 C ATOM 878 CD1 LEU A 113 1.404 -8.663 -1.647 1.00 0.00 C ATOM 879 CD2 LEU A 113 1.958 -6.906 -3.338 1.00 0.00 C ATOM 0 H LEU A 113 3.143 -9.790 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 113 4.656 -9.906 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.712 -7.584 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.387 -7.434 -2.756 1.00 0.00 H new ATOM 0 HG LEU A 113 2.429 -8.981 -3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.413 -8.754 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.710 -9.628 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.376 -7.925 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.959 -7.021 -3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.943 -6.125 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.656 -6.629 -4.128 1.00 0.00 H new ATOM 891 N HIS A 114 6.946 -9.102 -2.301 1.00 0.00 N ATOM 892 CA HIS A 114 8.333 -8.828 -1.940 1.00 0.00 C ATOM 893 C HIS A 114 8.807 -7.519 -2.564 1.00 0.00 C ATOM 894 O HIS A 114 9.222 -7.487 -3.723 1.00 0.00 O ATOM 895 CB HIS A 114 9.236 -9.977 -2.389 1.00 0.00 C ATOM 896 CG HIS A 114 9.415 -11.039 -1.348 1.00 0.00 C ATOM 897 ND1 HIS A 114 10.070 -12.228 -1.592 1.00 0.00 N ATOM 898 CD2 HIS A 114 9.023 -11.085 -0.054 1.00 0.00 C ATOM 899 CE1 HIS A 114 10.071 -12.960 -0.492 1.00 0.00 C ATOM 900 NE2 HIS A 114 9.442 -12.289 0.456 1.00 0.00 N ATOM 0 H HIS A 114 6.799 -9.299 -3.291 1.00 0.00 H new ATOM 0 HA HIS A 114 8.389 -8.735 -0.855 1.00 0.00 H new ATOM 0 HB2 HIS A 114 8.816 -10.428 -3.288 1.00 0.00 H new ATOM 0 HB3 HIS A 114 10.213 -9.576 -2.659 1.00 0.00 H new ATOM 0 HD1 HIS A 114 10.488 -12.500 -2.482 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.481 -10.317 0.479 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.511 -13.940 -0.386 1.00 0.00 H new ATOM 908 N ILE A 115 8.743 -6.442 -1.789 1.00 0.00 N ATOM 909 CA ILE A 115 9.166 -5.131 -2.266 1.00 0.00 C ATOM 910 C ILE A 115 10.553 -4.777 -1.741 1.00 0.00 C ATOM 911 O ILE A 115 10.815 -4.864 -0.541 1.00 0.00 O ATOM 912 CB ILE A 115 8.174 -4.031 -1.844 1.00 0.00 C ATOM 913 CG1 ILE A 115 6.778 -4.337 -2.390 1.00 0.00 C ATOM 914 CG2 ILE A 115 8.653 -2.671 -2.331 1.00 0.00 C ATOM 915 CD1 ILE A 115 5.708 -3.403 -1.869 1.00 0.00 C ATOM 0 H ILE A 115 8.402 -6.451 -0.828 1.00 0.00 H new ATOM 0 HA ILE A 115 9.194 -5.185 -3.354 1.00 0.00 H new ATOM 0 HB ILE A 115 8.121 -4.007 -0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 115 6.801 -4.279 -3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 115 6.512 -5.362 -2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 115 7.942 -1.904 -2.025 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.630 -2.453 -1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.731 -2.681 -3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 115 4.744 -3.678 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.657 -3.478 -0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 115 5.951 -2.378 -2.151 1.00 0.00 H new ATOM 927 N ASP A 116 11.438 -4.376 -2.647 1.00 0.00 N ATOM 928 CA ASP A 116 12.799 -4.006 -2.276 1.00 0.00 C ATOM 929 C ASP A 116 12.797 -2.806 -1.334 1.00 0.00 C ATOM 930 O ASP A 116 12.029 -1.858 -1.498 1.00 0.00 O ATOM 931 CB ASP A 116 13.623 -3.688 -3.525 1.00 0.00 C ATOM 932 CG ASP A 116 15.106 -3.923 -3.315 1.00 0.00 C ATOM 933 OD1 ASP A 116 15.769 -3.040 -2.732 1.00 0.00 O ATOM 934 OD2 ASP A 116 15.603 -4.989 -3.735 1.00 0.00 O ATOM 0 H ASP A 116 11.237 -4.299 -3.644 1.00 0.00 H new ATOM 0 HA ASP A 116 13.251 -4.852 -1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 116 13.274 -4.304 -4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 116 13.459 -2.649 -3.810 1.00 0.00 H new ATOM 939 N PRO A 117 13.677 -2.846 -0.322 1.00 0.00 N ATOM 940 CA PRO A 117 13.796 -1.770 0.667 1.00 0.00 C ATOM 941 C PRO A 117 14.391 -0.499 0.071 1.00 0.00 C ATOM 942 O PRO A 117 14.583 0.494 0.772 1.00 0.00 O ATOM 943 CB PRO A 117 14.738 -2.359 1.720 1.00 0.00 C ATOM 944 CG PRO A 117 15.538 -3.378 0.984 1.00 0.00 C ATOM 945 CD PRO A 117 14.623 -3.945 -0.065 1.00 0.00 C ATOM 0 HA PRO A 117 12.826 -1.471 1.063 1.00 0.00 H new ATOM 0 HB2 PRO A 117 15.378 -1.590 2.153 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.181 -2.810 2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 117 16.420 -2.927 0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.890 -4.159 1.658 1.00 0.00 H new ATOM 0 HD2 PRO A 117 15.169 -4.224 -0.966 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.112 -4.841 0.289 1.00 0.00 H new ATOM 953 N GLU A 118 14.680 -0.537 -1.226 1.00 0.00 N ATOM 954 CA GLU A 118 15.253 0.613 -1.915 1.00 0.00 C ATOM 955 C GLU A 118 14.190 1.344 -2.730 1.00 0.00 C ATOM 956 O GLU A 118 14.457 2.391 -3.320 1.00 0.00 O ATOM 957 CB GLU A 118 16.397 0.170 -2.829 1.00 0.00 C ATOM 958 CG GLU A 118 17.529 -0.527 -2.093 1.00 0.00 C ATOM 959 CD GLU A 118 18.868 -0.355 -2.784 1.00 0.00 C ATOM 960 OE1 GLU A 118 19.068 0.691 -3.437 1.00 0.00 O ATOM 961 OE2 GLU A 118 19.715 -1.266 -2.673 1.00 0.00 O ATOM 0 H GLU A 118 14.527 -1.352 -1.820 1.00 0.00 H new ATOM 0 HA GLU A 118 15.644 1.298 -1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 118 16.002 -0.502 -3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 118 16.795 1.042 -3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 118 17.595 -0.133 -1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 118 17.302 -1.590 -2.008 1.00 0.00 H new ATOM 968 N SER A 119 12.985 0.784 -2.758 1.00 0.00 N ATOM 969 CA SER A 119 11.883 1.380 -3.504 1.00 0.00 C ATOM 970 C SER A 119 10.878 2.032 -2.560 1.00 0.00 C ATOM 971 O SER A 119 10.166 2.963 -2.938 1.00 0.00 O ATOM 972 CB SER A 119 11.184 0.319 -4.357 1.00 0.00 C ATOM 973 OG SER A 119 11.792 0.209 -5.633 1.00 0.00 O ATOM 0 H SER A 119 12.747 -0.081 -2.273 1.00 0.00 H new ATOM 0 HA SER A 119 12.294 2.149 -4.158 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.222 -0.644 -3.848 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.131 0.577 -4.473 1.00 0.00 H new ATOM 0 HG SER A 119 11.329 -0.476 -6.158 1.00 0.00 H new ATOM 979 N LYS A 120 10.825 1.537 -1.328 1.00 0.00 N ATOM 980 CA LYS A 120 9.910 2.071 -0.327 1.00 0.00 C ATOM 981 C LYS A 120 10.559 3.210 0.453 1.00 0.00 C ATOM 982 O LYS A 120 10.570 3.205 1.684 1.00 0.00 O ATOM 983 CB LYS A 120 9.473 0.964 0.636 1.00 0.00 C ATOM 984 CG LYS A 120 8.879 -0.248 -0.060 1.00 0.00 C ATOM 985 CD LYS A 120 8.925 -1.480 0.828 1.00 0.00 C ATOM 986 CE LYS A 120 7.912 -1.390 1.959 1.00 0.00 C ATOM 987 NZ LYS A 120 7.531 -2.735 2.471 1.00 0.00 N ATOM 0 H LYS A 120 11.406 0.766 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 120 9.034 2.462 -0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.333 0.648 1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 120 8.739 1.369 1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 120 7.847 -0.038 -0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 120 9.426 -0.443 -0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 120 8.726 -2.369 0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 120 9.926 -1.593 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 120 8.328 -0.796 2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 120 7.021 -0.869 1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 7.302 -2.669 3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 6.701 -3.082 1.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 8.324 -3.395 2.338 1.00 0.00 H new ATOM 1001 N ILE A 121 11.097 4.185 -0.272 1.00 0.00 N ATOM 1002 CA ILE A 121 11.746 5.331 0.353 1.00 0.00 C ATOM 1003 C ILE A 121 10.824 6.547 0.362 1.00 0.00 C ATOM 1004 O ILE A 121 10.029 6.744 -0.557 1.00 0.00 O ATOM 1005 CB ILE A 121 13.055 5.700 -0.369 1.00 0.00 C ATOM 1006 CG1 ILE A 121 13.854 4.437 -0.699 1.00 0.00 C ATOM 1007 CG2 ILE A 121 13.883 6.647 0.486 1.00 0.00 C ATOM 1008 CD1 ILE A 121 14.410 3.737 0.521 1.00 0.00 C ATOM 0 H ILE A 121 11.096 4.204 -1.292 1.00 0.00 H new ATOM 0 HA ILE A 121 11.975 5.043 1.379 1.00 0.00 H new ATOM 0 HB ILE A 121 12.807 6.206 -1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 121 13.214 3.744 -1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 121 14.677 4.701 -1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 121 14.805 6.898 -0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 121 13.314 7.557 0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 121 14.124 6.165 1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 121 14.964 2.851 0.211 1.00 0.00 H new ATOM 0 HD12 ILE A 121 15.077 4.413 1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 121 13.590 3.442 1.176 1.00 0.00 H new ATOM 1020 N LYS A 122 10.938 7.361 1.405 1.00 0.00 N ATOM 1021 CA LYS A 122 10.119 8.560 1.534 1.00 0.00 C ATOM 1022 C LYS A 122 10.917 9.807 1.167 1.00 0.00 C ATOM 1023 O LYS A 122 10.357 10.796 0.695 1.00 0.00 O ATOM 1024 CB LYS A 122 9.584 8.686 2.963 1.00 0.00 C ATOM 1025 CG LYS A 122 10.665 8.951 3.996 1.00 0.00 C ATOM 1026 CD LYS A 122 11.130 7.666 4.660 1.00 0.00 C ATOM 1027 CE LYS A 122 10.166 7.222 5.750 1.00 0.00 C ATOM 1028 NZ LYS A 122 10.790 6.235 6.674 1.00 0.00 N ATOM 0 H LYS A 122 11.591 7.212 2.175 1.00 0.00 H new ATOM 0 HA LYS A 122 9.280 8.472 0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 122 8.853 9.494 2.998 1.00 0.00 H new ATOM 0 HB3 LYS A 122 9.058 7.769 3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 122 11.513 9.442 3.519 1.00 0.00 H new ATOM 0 HG3 LYS A 122 10.285 9.636 4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 122 11.221 6.880 3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 122 12.122 7.814 5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 122 9.834 8.091 6.318 1.00 0.00 H new ATOM 0 HE3 LYS A 122 9.279 6.782 5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 10.101 5.957 7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 11.084 5.394 6.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 11.621 6.663 7.129 1.00 0.00 H new ATOM 1042 N ASP A 123 12.226 9.751 1.386 1.00 0.00 N ATOM 1043 CA ASP A 123 13.101 10.875 1.075 1.00 0.00 C ATOM 1044 C ASP A 123 13.766 10.687 -0.285 1.00 0.00 C ATOM 1045 O ASP A 123 14.968 10.911 -0.435 1.00 0.00 O ATOM 1046 CB ASP A 123 14.167 11.034 2.160 1.00 0.00 C ATOM 1047 CG ASP A 123 15.309 10.050 1.999 1.00 0.00 C ATOM 1048 OD1 ASP A 123 15.068 8.942 1.474 1.00 0.00 O ATOM 1049 OD2 ASP A 123 16.443 10.387 2.398 1.00 0.00 O ATOM 0 H ASP A 123 12.704 8.940 1.778 1.00 0.00 H new ATOM 0 HA ASP A 123 12.492 11.778 1.039 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.560 12.050 2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 123 13.708 10.896 3.139 1.00 0.00 H new ATOM 1054 N CYS A 124 12.978 10.272 -1.270 1.00 0.00 N ATOM 1055 CA CYS A 124 13.491 10.051 -2.618 1.00 0.00 C ATOM 1056 C CYS A 124 12.855 11.022 -3.608 1.00 0.00 C ATOM 1057 O CYS A 124 11.679 11.370 -3.505 1.00 0.00 O ATOM 1058 CB CYS A 124 13.227 8.611 -3.057 1.00 0.00 C ATOM 1059 SG CYS A 124 11.474 8.201 -3.226 1.00 0.00 S ATOM 0 H CYS A 124 11.982 10.082 -1.161 1.00 0.00 H new ATOM 0 HA CYS A 124 14.567 10.227 -2.604 1.00 0.00 H new ATOM 0 HB2 CYS A 124 13.724 8.437 -4.011 1.00 0.00 H new ATOM 0 HB3 CYS A 124 13.680 7.933 -2.333 1.00 0.00 H new ATOM 0 HG CYS A 124 11.050 7.646 -2.129 1.00 0.00 H new ATOM 1065 N PRO A 125 13.651 11.473 -4.589 1.00 0.00 N ATOM 1066 CA PRO A 125 13.188 12.411 -5.616 1.00 0.00 C ATOM 1067 C PRO A 125 12.196 11.771 -6.581 1.00 0.00 C ATOM 1068 O PRO A 125 11.665 12.435 -7.471 1.00 0.00 O ATOM 1069 CB PRO A 125 14.475 12.797 -6.350 1.00 0.00 C ATOM 1070 CG PRO A 125 15.394 11.644 -6.135 1.00 0.00 C ATOM 1071 CD PRO A 125 15.064 11.100 -4.772 1.00 0.00 C ATOM 0 HA PRO A 125 12.657 13.259 -5.184 1.00 0.00 H new ATOM 0 HB2 PRO A 125 14.291 12.964 -7.411 1.00 0.00 H new ATOM 0 HB3 PRO A 125 14.897 13.719 -5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 125 15.253 10.884 -6.903 1.00 0.00 H new ATOM 0 HG3 PRO A 125 16.436 11.960 -6.187 1.00 0.00 H new ATOM 0 HD2 PRO A 125 15.204 10.020 -4.726 1.00 0.00 H new ATOM 0 HD3 PRO A 125 15.698 11.537 -4.001 1.00 0.00 H new ATOM 1079 N TRP A 126 11.949 10.479 -6.397 1.00 0.00 N ATOM 1080 CA TRP A 126 11.019 9.750 -7.252 1.00 0.00 C ATOM 1081 C TRP A 126 9.584 9.923 -6.768 1.00 0.00 C ATOM 1082 O TRP A 126 9.346 10.435 -5.674 1.00 0.00 O ATOM 1083 CB TRP A 126 11.383 8.265 -7.286 1.00 0.00 C ATOM 1084 CG TRP A 126 12.849 8.008 -7.107 1.00 0.00 C ATOM 1085 CD1 TRP A 126 13.425 7.094 -6.271 1.00 0.00 C ATOM 1086 CD2 TRP A 126 13.924 8.674 -7.777 1.00 0.00 C ATOM 1087 NE1 TRP A 126 14.793 7.153 -6.381 1.00 0.00 N ATOM 1088 CE2 TRP A 126 15.125 8.113 -7.300 1.00 0.00 C ATOM 1089 CE3 TRP A 126 13.989 9.689 -8.736 1.00 0.00 C ATOM 1090 CZ2 TRP A 126 16.373 8.535 -7.748 1.00 0.00 C ATOM 1091 CZ3 TRP A 126 15.230 10.106 -9.181 1.00 0.00 C ATOM 1092 CH2 TRP A 126 16.408 9.530 -8.688 1.00 0.00 C ATOM 0 H TRP A 126 12.379 9.915 -5.664 1.00 0.00 H new ATOM 0 HA TRP A 126 11.094 10.159 -8.260 1.00 0.00 H new ATOM 0 HB2 TRP A 126 10.832 7.745 -6.502 1.00 0.00 H new ATOM 0 HB3 TRP A 126 11.061 7.841 -8.237 1.00 0.00 H new ATOM 0 HD1 TRP A 126 12.884 6.424 -5.619 1.00 0.00 H new ATOM 0 HE1 TRP A 126 15.455 6.575 -5.862 1.00 0.00 H new ATOM 0 HE3 TRP A 126 13.086 10.139 -9.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 17.282 8.093 -7.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 15.292 10.890 -9.922 1.00 0.00 H new ATOM 0 HH2 TRP A 126 17.362 9.877 -9.056 1.00 0.00 H new ATOM 1103 N SER A 127 8.631 9.494 -7.589 1.00 0.00 N ATOM 1104 CA SER A 127 7.218 9.606 -7.245 1.00 0.00 C ATOM 1105 C SER A 127 6.391 8.574 -8.005 1.00 0.00 C ATOM 1106 O SER A 127 6.244 8.656 -9.224 1.00 0.00 O ATOM 1107 CB SER A 127 6.706 11.014 -7.552 1.00 0.00 C ATOM 1108 OG SER A 127 5.334 11.142 -7.221 1.00 0.00 O ATOM 0 H SER A 127 8.811 9.066 -8.497 1.00 0.00 H new ATOM 0 HA SER A 127 7.113 9.415 -6.177 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.288 11.746 -6.992 1.00 0.00 H new ATOM 0 HB3 SER A 127 6.850 11.234 -8.610 1.00 0.00 H new ATOM 0 HG SER A 127 5.032 12.052 -7.425 1.00 0.00 H new ATOM 1114 N GLY A 128 5.851 7.602 -7.276 1.00 0.00 N ATOM 1115 CA GLY A 128 5.045 6.568 -7.897 1.00 0.00 C ATOM 1116 C GLY A 128 5.782 5.848 -9.009 1.00 0.00 C ATOM 1117 O GLY A 128 7.004 5.938 -9.133 1.00 0.00 O ATOM 0 H GLY A 128 5.958 7.513 -6.266 1.00 0.00 H new ATOM 0 HA2 GLY A 128 4.740 5.845 -7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 128 4.134 7.013 -8.298 1.00 0.00 H new ATOM 1121 N PRO A 129 5.032 5.111 -9.841 1.00 0.00 N ATOM 1122 CA PRO A 129 5.601 4.358 -10.963 1.00 0.00 C ATOM 1123 C PRO A 129 6.114 5.269 -12.073 1.00 0.00 C ATOM 1124 O PRO A 129 6.890 4.844 -12.928 1.00 0.00 O ATOM 1125 CB PRO A 129 4.422 3.519 -11.461 1.00 0.00 C ATOM 1126 CG PRO A 129 3.212 4.283 -11.048 1.00 0.00 C ATOM 1127 CD PRO A 129 3.570 4.958 -9.753 1.00 0.00 C ATOM 0 HA PRO A 129 6.465 3.767 -10.660 1.00 0.00 H new ATOM 0 HB2 PRO A 129 4.458 3.389 -12.543 1.00 0.00 H new ATOM 0 HB3 PRO A 129 4.431 2.522 -11.019 1.00 0.00 H new ATOM 0 HG2 PRO A 129 2.935 5.015 -11.806 1.00 0.00 H new ATOM 0 HG3 PRO A 129 2.357 3.620 -10.919 1.00 0.00 H new ATOM 0 HD2 PRO A 129 3.071 5.921 -9.651 1.00 0.00 H new ATOM 0 HD3 PRO A 129 3.280 4.355 -8.892 1.00 0.00 H new ATOM 1135 N SER A 130 5.674 6.523 -12.053 1.00 0.00 N ATOM 1136 CA SER A 130 6.087 7.493 -13.061 1.00 0.00 C ATOM 1137 C SER A 130 7.589 7.409 -13.313 1.00 0.00 C ATOM 1138 O SER A 130 8.029 7.196 -14.443 1.00 0.00 O ATOM 1139 CB SER A 130 5.710 8.909 -12.620 1.00 0.00 C ATOM 1140 OG SER A 130 5.858 9.831 -13.685 1.00 0.00 O ATOM 0 H SER A 130 5.032 6.891 -11.351 1.00 0.00 H new ATOM 0 HA SER A 130 5.567 7.259 -13.990 1.00 0.00 H new ATOM 0 HB2 SER A 130 4.679 8.921 -12.265 1.00 0.00 H new ATOM 0 HB3 SER A 130 6.339 9.212 -11.783 1.00 0.00 H new ATOM 0 HG SER A 130 5.609 10.728 -13.378 1.00 0.00 H new ATOM 1146 N SER A 131 8.371 7.579 -12.252 1.00 0.00 N ATOM 1147 CA SER A 131 9.825 7.527 -12.357 1.00 0.00 C ATOM 1148 C SER A 131 10.257 6.503 -13.403 1.00 0.00 C ATOM 1149 O SER A 131 11.077 6.795 -14.272 1.00 0.00 O ATOM 1150 CB SER A 131 10.444 7.180 -11.002 1.00 0.00 C ATOM 1151 OG SER A 131 11.848 7.020 -11.108 1.00 0.00 O ATOM 0 H SER A 131 8.022 7.754 -11.310 1.00 0.00 H new ATOM 0 HA SER A 131 10.178 8.510 -12.668 1.00 0.00 H new ATOM 0 HB2 SER A 131 10.218 7.968 -10.283 1.00 0.00 H new ATOM 0 HB3 SER A 131 9.998 6.262 -10.620 1.00 0.00 H new ATOM 0 HG SER A 131 12.220 6.800 -10.228 1.00 0.00 H new ATOM 1157 N GLY A 132 9.697 5.300 -13.311 1.00 0.00 N ATOM 1158 CA GLY A 132 10.036 4.250 -14.254 1.00 0.00 C ATOM 1159 C GLY A 132 11.530 4.006 -14.338 1.00 0.00 C ATOM 1160 O GLY A 132 11.967 2.882 -14.097 1.00 0.00 O ATOM 0 H GLY A 132 9.015 5.034 -12.601 1.00 0.00 H new ATOM 0 HA2 GLY A 132 9.536 3.327 -13.960 1.00 0.00 H new ATOM 0 HA3 GLY A 132 9.658 4.517 -15.241 1.00 0.00 H new TER 1164 GLY A 132 HETATM 1165 ZN ZN A 256 -13.929 -10.190 7.497 1.00 0.00 ZN HETATM 1166 ZN ZN A 456 8.257 -13.509 2.047 1.00 0.00 ZN