USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 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 120 THR OG1 : rot -134:sc= 0.688 USER MOD Set 1.2: A 175 ASN : amide:sc= 1.39 K(o=2.1,f=0.93) USER MOD Set 2.1: A 128 TYR OH : rot -167:sc= 1.09 USER MOD Set 2.2: A 172 HIS : no HD1:sc= 1.54 K(o=3,f=-5.2!) USER MOD Set 2.3: A 181 CYS SG : rot -144:sc= 0.331 USER MOD Set 3.1: A 117 SER OG : rot 180:sc= 0.385 USER MOD Set 3.2: A 119 ASN : amide:sc= 0.24 X(o=0.63,f=0.16) USER MOD Single : A 109 LYS NZ :NH3+ 176:sc= 1.04 (180deg=1.02) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 157:sc= 1.39 (180deg=1.03) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 GLN : amide:sc= 0.798 K(o=0.8,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 176:sc= 1.19 (180deg=1.11) USER MOD Single : A 139 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 141 MET CE :methyl 152:sc= -0.316 (180deg=-2.06!) USER MOD Single : A 149 HIS : no HD1:sc= 0.775 K(o=0.78,f=-4.9!) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 SER OG : rot 180:sc= 0.083 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 CYS SG : rot 88:sc= 0.044 USER MOD Single : A 170 HIS : no HD1:sc= 0.946 K(o=0.95,f=-3.1!) USER MOD Single : A 176 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 182 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.06) USER MOD Single : A 183 LYS NZ :NH3+ 166:sc= 1.28 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 55 N LYS A 109 -1.879 8.912 0.800 1.00 0.00 N ATOM 56 CA LYS A 109 -2.298 7.830 -0.114 1.00 0.00 C ATOM 57 C LYS A 109 -1.525 6.507 0.065 1.00 0.00 C ATOM 58 O LYS A 109 -1.322 5.782 -0.907 1.00 0.00 O ATOM 59 CB LYS A 109 -2.291 8.319 -1.577 1.00 0.00 C ATOM 60 CG LYS A 109 -3.381 9.356 -1.879 1.00 0.00 C ATOM 61 CD LYS A 109 -3.436 9.597 -3.393 1.00 0.00 C ATOM 62 CE LYS A 109 -4.357 10.767 -3.757 1.00 0.00 C ATOM 63 NZ LYS A 109 -4.419 10.966 -5.230 1.00 0.00 N ATOM 0 HA LYS A 109 -3.322 7.581 0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.316 8.751 -1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.421 7.463 -2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.347 9.002 -1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -3.168 10.289 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.431 9.798 -3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.785 8.693 -3.891 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.359 10.578 -3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.997 11.678 -3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -5.101 11.720 -5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.479 11.236 -5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.720 10.082 -5.687 1.00 0.00 H new ATOM 77 N LYS A 110 -1.056 6.181 1.275 1.00 0.00 N ATOM 78 CA LYS A 110 -0.188 5.018 1.540 1.00 0.00 C ATOM 79 C LYS A 110 -0.592 4.275 2.815 1.00 0.00 C ATOM 80 O LYS A 110 -0.886 4.901 3.836 1.00 0.00 O ATOM 81 CB LYS A 110 1.287 5.475 1.547 1.00 0.00 C ATOM 82 CG LYS A 110 2.283 4.302 1.473 1.00 0.00 C ATOM 83 CD LYS A 110 3.750 4.761 1.379 1.00 0.00 C ATOM 84 CE LYS A 110 4.276 5.296 2.719 1.00 0.00 C ATOM 85 NZ LYS A 110 5.713 5.670 2.648 1.00 0.00 N ATOM 0 H LYS A 110 -1.269 6.723 2.112 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.313 4.289 0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.458 6.143 0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.479 6.050 2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.161 3.673 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.045 3.685 0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.370 3.926 1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.838 5.538 0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.690 6.166 3.016 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.137 4.539 3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.025 6.026 3.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.277 4.835 2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.844 6.411 1.930 1.00 0.00 H new ATOM 99 N ILE A 111 -0.562 2.943 2.766 1.00 0.00 N ATOM 100 CA ILE A 111 -0.789 2.054 3.918 1.00 0.00 C ATOM 101 C ILE A 111 0.449 1.214 4.233 1.00 0.00 C ATOM 102 O ILE A 111 1.253 0.879 3.363 1.00 0.00 O ATOM 103 CB ILE A 111 -2.015 1.122 3.727 1.00 0.00 C ATOM 104 CG1 ILE A 111 -1.761 0.045 2.649 1.00 0.00 C ATOM 105 CG2 ILE A 111 -3.278 1.942 3.444 1.00 0.00 C ATOM 106 CD1 ILE A 111 -2.949 -0.870 2.328 1.00 0.00 C ATOM 0 H ILE A 111 -0.374 2.433 1.903 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.999 2.713 4.761 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.175 0.583 4.661 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.452 0.543 1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.925 -0.576 2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.126 1.270 3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.472 2.612 4.281 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.136 2.528 2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.659 -1.587 1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.250 -1.405 3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.784 -0.269 1.967 1.00 0.00 H new ATOM 118 N PHE A 112 0.546 0.869 5.509 1.00 0.00 N ATOM 119 CA PHE A 112 1.404 -0.137 6.107 1.00 0.00 C ATOM 120 C PHE A 112 0.645 -1.475 6.106 1.00 0.00 C ATOM 121 O PHE A 112 -0.541 -1.504 6.450 1.00 0.00 O ATOM 122 CB PHE A 112 1.704 0.316 7.543 1.00 0.00 C ATOM 123 CG PHE A 112 2.537 -0.653 8.351 1.00 0.00 C ATOM 124 CD1 PHE A 112 1.929 -1.698 9.077 1.00 0.00 C ATOM 125 CD2 PHE A 112 3.931 -0.496 8.392 1.00 0.00 C ATOM 126 CE1 PHE A 112 2.723 -2.585 9.829 1.00 0.00 C ATOM 127 CE2 PHE A 112 4.719 -1.365 9.161 1.00 0.00 C ATOM 128 CZ PHE A 112 4.119 -2.416 9.876 1.00 0.00 C ATOM 0 H PHE A 112 -0.028 1.331 6.215 1.00 0.00 H new ATOM 0 HA PHE A 112 2.338 -0.261 5.558 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.221 1.275 7.506 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.760 0.482 8.062 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.856 -1.818 9.056 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.399 0.298 7.829 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.260 -3.396 10.371 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.789 -1.226 9.204 1.00 0.00 H new ATOM 0 HZ PHE A 112 4.727 -3.091 10.459 1.00 0.00 H new ATOM 138 N VAL A 113 1.315 -2.572 5.752 1.00 0.00 N ATOM 139 CA VAL A 113 0.758 -3.934 5.720 1.00 0.00 C ATOM 140 C VAL A 113 1.672 -4.893 6.476 1.00 0.00 C ATOM 141 O VAL A 113 2.779 -5.162 6.011 1.00 0.00 O ATOM 142 CB VAL A 113 0.504 -4.422 4.278 1.00 0.00 C ATOM 143 CG1 VAL A 113 -0.219 -5.772 4.273 1.00 0.00 C ATOM 144 CG2 VAL A 113 -0.324 -3.416 3.472 1.00 0.00 C ATOM 0 H VAL A 113 2.294 -2.541 5.469 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.212 -3.911 6.217 1.00 0.00 H new ATOM 0 HB VAL A 113 1.483 -4.527 3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.385 -6.092 3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.391 -6.513 4.790 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.178 -5.673 4.782 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.480 -3.798 2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.289 -3.268 3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.207 -2.465 3.422 1.00 0.00 H new ATOM 154 N GLY A 114 1.233 -5.389 7.637 1.00 0.00 N ATOM 155 CA GLY A 114 2.049 -6.204 8.551 1.00 0.00 C ATOM 156 C GLY A 114 1.508 -7.616 8.792 1.00 0.00 C ATOM 157 O GLY A 114 0.296 -7.806 8.897 1.00 0.00 O ATOM 0 H GLY A 114 0.284 -5.234 7.977 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.059 -6.279 8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.125 -5.689 9.508 1.00 0.00 H new ATOM 161 N GLY A 115 2.413 -8.597 8.907 1.00 0.00 N ATOM 162 CA GLY A 115 2.107 -10.022 9.123 1.00 0.00 C ATOM 163 C GLY A 115 2.245 -10.914 7.876 1.00 0.00 C ATOM 164 O GLY A 115 1.756 -12.045 7.873 1.00 0.00 O ATOM 0 H GLY A 115 3.415 -8.416 8.850 1.00 0.00 H new ATOM 0 HA2 GLY A 115 2.767 -10.406 9.901 1.00 0.00 H new ATOM 0 HA3 GLY A 115 1.088 -10.106 9.500 1.00 0.00 H new ATOM 168 N LEU A 116 2.876 -10.415 6.807 1.00 0.00 N ATOM 169 CA LEU A 116 3.074 -11.120 5.533 1.00 0.00 C ATOM 170 C LEU A 116 3.954 -12.375 5.685 1.00 0.00 C ATOM 171 O LEU A 116 4.853 -12.424 6.529 1.00 0.00 O ATOM 172 CB LEU A 116 3.736 -10.165 4.514 1.00 0.00 C ATOM 173 CG LEU A 116 2.865 -8.980 4.060 1.00 0.00 C ATOM 174 CD1 LEU A 116 3.739 -7.919 3.396 1.00 0.00 C ATOM 175 CD2 LEU A 116 1.827 -9.409 3.023 1.00 0.00 C ATOM 0 H LEU A 116 3.277 -9.477 6.804 1.00 0.00 H new ATOM 0 HA LEU A 116 2.092 -11.441 5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.654 -9.773 4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.023 -10.741 3.635 1.00 0.00 H new ATOM 0 HG LEU A 116 2.366 -8.594 4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.117 -7.083 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.485 -7.565 4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.240 -8.350 2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.231 -8.546 2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.334 -9.818 2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.175 -10.169 3.453 1.00 0.00 H new ATOM 187 N SER A 117 3.738 -13.371 4.820 1.00 0.00 N ATOM 188 CA SER A 117 4.654 -14.513 4.680 1.00 0.00 C ATOM 189 C SER A 117 5.976 -14.064 4.061 1.00 0.00 C ATOM 190 O SER A 117 5.985 -13.308 3.088 1.00 0.00 O ATOM 191 CB SER A 117 4.035 -15.624 3.825 1.00 0.00 C ATOM 192 OG SER A 117 4.915 -16.734 3.729 1.00 0.00 O ATOM 0 H SER A 117 2.929 -13.411 4.200 1.00 0.00 H new ATOM 0 HA SER A 117 4.839 -14.910 5.678 1.00 0.00 H new ATOM 0 HB2 SER A 117 3.088 -15.941 4.262 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.814 -15.242 2.828 1.00 0.00 H new ATOM 0 HG SER A 117 4.501 -17.433 3.181 1.00 0.00 H new ATOM 198 N VAL A 118 7.103 -14.589 4.548 1.00 0.00 N ATOM 199 CA VAL A 118 8.429 -14.411 3.914 1.00 0.00 C ATOM 200 C VAL A 118 8.488 -15.019 2.500 1.00 0.00 C ATOM 201 O VAL A 118 9.401 -14.705 1.738 1.00 0.00 O ATOM 202 CB VAL A 118 9.548 -15.005 4.793 1.00 0.00 C ATOM 203 CG1 VAL A 118 9.658 -14.260 6.126 1.00 0.00 C ATOM 204 CG2 VAL A 118 9.350 -16.499 5.079 1.00 0.00 C ATOM 0 H VAL A 118 7.131 -15.154 5.397 1.00 0.00 H new ATOM 0 HA VAL A 118 8.586 -13.337 3.818 1.00 0.00 H new ATOM 0 HB VAL A 118 10.468 -14.885 4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 118 10.455 -14.701 6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 118 9.883 -13.210 5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 118 8.714 -14.338 6.665 1.00 0.00 H new ATOM 0 HG21 VAL A 118 10.168 -16.862 5.702 1.00 0.00 H new ATOM 0 HG22 VAL A 118 8.404 -16.648 5.600 1.00 0.00 H new ATOM 0 HG23 VAL A 118 9.337 -17.051 4.139 1.00 0.00 H new ATOM 214 N ASN A 119 7.513 -15.860 2.128 1.00 0.00 N ATOM 215 CA ASN A 119 7.355 -16.419 0.781 1.00 0.00 C ATOM 216 C ASN A 119 6.607 -15.472 -0.185 1.00 0.00 C ATOM 217 O ASN A 119 6.713 -15.628 -1.403 1.00 0.00 O ATOM 218 CB ASN A 119 6.635 -17.774 0.899 1.00 0.00 C ATOM 219 CG ASN A 119 7.396 -18.773 1.756 1.00 0.00 C ATOM 220 OD1 ASN A 119 8.281 -19.478 1.291 1.00 0.00 O ATOM 221 ND2 ASN A 119 7.061 -18.894 3.022 1.00 0.00 N ATOM 0 H ASN A 119 6.792 -16.178 2.776 1.00 0.00 H new ATOM 0 HA ASN A 119 8.346 -16.552 0.347 1.00 0.00 H new ATOM 0 HB2 ASN A 119 5.644 -17.618 1.325 1.00 0.00 H new ATOM 0 HB3 ASN A 119 6.492 -18.192 -0.097 1.00 0.00 H new ATOM 0 HD21 ASN A 119 7.539 -19.574 3.613 1.00 0.00 H new ATOM 0 HD22 ASN A 119 6.324 -18.308 3.413 1.00 0.00 H new ATOM 228 N THR A 120 5.857 -14.494 0.337 1.00 0.00 N ATOM 229 CA THR A 120 5.129 -13.483 -0.448 1.00 0.00 C ATOM 230 C THR A 120 6.079 -12.508 -1.133 1.00 0.00 C ATOM 231 O THR A 120 6.989 -11.976 -0.493 1.00 0.00 O ATOM 232 CB THR A 120 4.159 -12.697 0.449 1.00 0.00 C ATOM 233 OG1 THR A 120 3.250 -13.593 1.051 1.00 0.00 O ATOM 234 CG2 THR A 120 3.334 -11.642 -0.282 1.00 0.00 C ATOM 0 H THR A 120 5.735 -14.379 1.343 1.00 0.00 H new ATOM 0 HA THR A 120 4.569 -14.017 -1.215 1.00 0.00 H new ATOM 0 HB THR A 120 4.789 -12.180 1.173 1.00 0.00 H new ATOM 0 HG1 THR A 120 2.341 -13.234 0.979 1.00 0.00 H new ATOM 0 HG21 THR A 120 2.678 -11.137 0.427 1.00 0.00 H new ATOM 0 HG22 THR A 120 4.001 -10.913 -0.742 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.733 -12.121 -1.054 1.00 0.00 H new ATOM 242 N THR A 121 5.829 -12.231 -2.416 1.00 0.00 N ATOM 243 CA THR A 121 6.494 -11.164 -3.179 1.00 0.00 C ATOM 244 C THR A 121 5.642 -9.908 -3.362 1.00 0.00 C ATOM 245 O THR A 121 4.413 -9.953 -3.280 1.00 0.00 O ATOM 246 CB THR A 121 7.121 -11.692 -4.479 1.00 0.00 C ATOM 247 OG1 THR A 121 8.082 -10.761 -4.930 1.00 0.00 O ATOM 248 CG2 THR A 121 6.120 -11.900 -5.613 1.00 0.00 C ATOM 0 H THR A 121 5.146 -12.751 -2.967 1.00 0.00 H new ATOM 0 HA THR A 121 7.325 -10.822 -2.562 1.00 0.00 H new ATOM 0 HB THR A 121 7.551 -12.664 -4.236 1.00 0.00 H new ATOM 0 HG1 THR A 121 8.491 -11.088 -5.759 1.00 0.00 H new ATOM 0 HG21 THR A 121 6.641 -12.274 -6.494 1.00 0.00 H new ATOM 0 HG22 THR A 121 5.365 -12.623 -5.304 1.00 0.00 H new ATOM 0 HG23 THR A 121 5.638 -10.952 -5.851 1.00 0.00 H new ATOM 256 N VAL A 122 6.290 -8.771 -3.623 1.00 0.00 N ATOM 257 CA VAL A 122 5.660 -7.450 -3.770 1.00 0.00 C ATOM 258 C VAL A 122 4.532 -7.392 -4.809 1.00 0.00 C ATOM 259 O VAL A 122 3.534 -6.698 -4.614 1.00 0.00 O ATOM 260 CB VAL A 122 6.758 -6.399 -4.027 1.00 0.00 C ATOM 261 CG1 VAL A 122 7.351 -6.452 -5.441 1.00 0.00 C ATOM 262 CG2 VAL A 122 6.240 -4.988 -3.775 1.00 0.00 C ATOM 0 H VAL A 122 7.302 -8.740 -3.743 1.00 0.00 H new ATOM 0 HA VAL A 122 5.149 -7.225 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 122 7.552 -6.649 -3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.116 -5.682 -5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.797 -7.432 -5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 122 6.562 -6.279 -6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.037 -4.269 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.401 -4.784 -4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 122 5.911 -4.901 -2.739 1.00 0.00 H new ATOM 272 N GLU A 123 4.648 -8.168 -5.887 1.00 0.00 N ATOM 273 CA GLU A 123 3.630 -8.242 -6.940 1.00 0.00 C ATOM 274 C GLU A 123 2.351 -8.974 -6.493 1.00 0.00 C ATOM 275 O GLU A 123 1.267 -8.615 -6.951 1.00 0.00 O ATOM 276 CB GLU A 123 4.211 -8.913 -8.195 1.00 0.00 C ATOM 277 CG GLU A 123 5.376 -8.114 -8.806 1.00 0.00 C ATOM 278 CD GLU A 123 5.868 -8.667 -10.163 1.00 0.00 C ATOM 279 OE1 GLU A 123 6.718 -7.999 -10.803 1.00 0.00 O ATOM 280 OE2 GLU A 123 5.433 -9.758 -10.607 1.00 0.00 O ATOM 0 H GLU A 123 5.456 -8.768 -6.057 1.00 0.00 H new ATOM 0 HA GLU A 123 3.342 -7.216 -7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.556 -9.915 -7.940 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.423 -9.027 -8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 123 5.064 -7.078 -8.938 1.00 0.00 H new ATOM 0 HG3 GLU A 123 6.209 -8.109 -8.103 1.00 0.00 H new ATOM 287 N ASP A 124 2.440 -9.937 -5.563 1.00 0.00 N ATOM 288 CA ASP A 124 1.259 -10.587 -4.960 1.00 0.00 C ATOM 289 C ASP A 124 0.446 -9.546 -4.177 1.00 0.00 C ATOM 290 O ASP A 124 -0.781 -9.483 -4.282 1.00 0.00 O ATOM 291 CB ASP A 124 1.662 -11.690 -3.960 1.00 0.00 C ATOM 292 CG ASP A 124 2.588 -12.800 -4.476 1.00 0.00 C ATOM 293 OD1 ASP A 124 3.277 -13.414 -3.625 1.00 0.00 O ATOM 294 OD2 ASP A 124 2.596 -13.096 -5.695 1.00 0.00 O ATOM 0 H ASP A 124 3.329 -10.289 -5.206 1.00 0.00 H new ATOM 0 HA ASP A 124 0.682 -11.025 -5.774 1.00 0.00 H new ATOM 0 HB2 ASP A 124 2.148 -11.213 -3.109 1.00 0.00 H new ATOM 0 HB3 ASP A 124 0.751 -12.157 -3.586 1.00 0.00 H new ATOM 299 N VAL A 125 1.150 -8.706 -3.412 1.00 0.00 N ATOM 300 CA VAL A 125 0.578 -7.642 -2.580 1.00 0.00 C ATOM 301 C VAL A 125 -0.064 -6.555 -3.446 1.00 0.00 C ATOM 302 O VAL A 125 -1.225 -6.205 -3.224 1.00 0.00 O ATOM 303 CB VAL A 125 1.648 -7.093 -1.611 1.00 0.00 C ATOM 304 CG1 VAL A 125 1.086 -6.032 -0.666 1.00 0.00 C ATOM 305 CG2 VAL A 125 2.223 -8.224 -0.745 1.00 0.00 C ATOM 0 H VAL A 125 2.167 -8.749 -3.353 1.00 0.00 H new ATOM 0 HA VAL A 125 -0.225 -8.054 -1.968 1.00 0.00 H new ATOM 0 HB VAL A 125 2.421 -6.646 -2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.877 -5.678 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 125 0.697 -5.196 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 125 0.282 -6.464 -0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.975 -7.818 -0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.422 -8.681 -0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.681 -8.977 -1.387 1.00 0.00 H new ATOM 315 N LYS A 126 0.633 -6.076 -4.488 1.00 0.00 N ATOM 316 CA LYS A 126 0.083 -5.091 -5.438 1.00 0.00 C ATOM 317 C LYS A 126 -1.154 -5.626 -6.171 1.00 0.00 C ATOM 318 O LYS A 126 -2.171 -4.937 -6.229 1.00 0.00 O ATOM 319 CB LYS A 126 1.188 -4.624 -6.402 1.00 0.00 C ATOM 320 CG LYS A 126 0.714 -3.457 -7.289 1.00 0.00 C ATOM 321 CD LYS A 126 1.884 -2.742 -7.984 1.00 0.00 C ATOM 322 CE LYS A 126 1.513 -1.320 -8.433 1.00 0.00 C ATOM 323 NZ LYS A 126 0.526 -1.285 -9.542 1.00 0.00 N ATOM 0 H LYS A 126 1.591 -6.358 -4.697 1.00 0.00 H new ATOM 0 HA LYS A 126 -0.264 -4.223 -4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 126 2.063 -4.315 -5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.498 -5.458 -7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 126 0.022 -3.833 -8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 126 0.163 -2.740 -6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 126 2.735 -2.696 -7.304 1.00 0.00 H new ATOM 0 HD3 LYS A 126 2.200 -3.324 -8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 126 1.109 -0.773 -7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 126 2.418 -0.799 -8.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 0.034 -0.369 -9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 1.019 -1.411 -10.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.166 -2.050 -9.415 1.00 0.00 H new ATOM 337 N HIS A 127 -1.108 -6.870 -6.660 1.00 0.00 N ATOM 338 CA HIS A 127 -2.243 -7.539 -7.307 1.00 0.00 C ATOM 339 C HIS A 127 -3.451 -7.675 -6.368 1.00 0.00 C ATOM 340 O HIS A 127 -4.578 -7.379 -6.769 1.00 0.00 O ATOM 341 CB HIS A 127 -1.783 -8.908 -7.824 1.00 0.00 C ATOM 342 CG HIS A 127 -2.910 -9.769 -8.330 1.00 0.00 C ATOM 343 ND1 HIS A 127 -3.534 -9.667 -9.577 1.00 0.00 N ATOM 344 CD2 HIS A 127 -3.454 -10.811 -7.644 1.00 0.00 C ATOM 345 CE1 HIS A 127 -4.455 -10.647 -9.604 1.00 0.00 C ATOM 346 NE2 HIS A 127 -4.430 -11.349 -8.457 1.00 0.00 N ATOM 0 H HIS A 127 -0.269 -7.449 -6.617 1.00 0.00 H new ATOM 0 HA HIS A 127 -2.578 -6.925 -8.143 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -1.061 -8.760 -8.627 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -1.265 -9.435 -7.022 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -3.176 -11.150 -6.657 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -5.121 -10.843 -10.431 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -5.029 -12.142 -8.228 1.00 0.00 H new ATOM 354 N TYR A 128 -3.226 -8.064 -5.107 1.00 0.00 N ATOM 355 CA TYR A 128 -4.291 -8.161 -4.109 1.00 0.00 C ATOM 356 C TYR A 128 -5.001 -6.837 -3.786 1.00 0.00 C ATOM 357 O TYR A 128 -6.233 -6.786 -3.738 1.00 0.00 O ATOM 358 CB TYR A 128 -3.822 -8.917 -2.857 1.00 0.00 C ATOM 359 CG TYR A 128 -4.821 -8.882 -1.713 1.00 0.00 C ATOM 360 CD1 TYR A 128 -5.829 -9.865 -1.652 1.00 0.00 C ATOM 361 CD2 TYR A 128 -4.778 -7.859 -0.746 1.00 0.00 C ATOM 362 CE1 TYR A 128 -6.799 -9.820 -0.631 1.00 0.00 C ATOM 363 CE2 TYR A 128 -5.744 -7.816 0.277 1.00 0.00 C ATOM 364 CZ TYR A 128 -6.759 -8.796 0.338 1.00 0.00 C ATOM 365 OH TYR A 128 -7.702 -8.758 1.318 1.00 0.00 O ATOM 0 H TYR A 128 -2.304 -8.319 -4.754 1.00 0.00 H new ATOM 0 HA TYR A 128 -5.073 -8.757 -4.579 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -3.624 -9.955 -3.123 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -2.879 -8.490 -2.517 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -5.858 -10.654 -2.389 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -4.004 -7.107 -0.789 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -7.574 -10.571 -0.590 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -5.709 -7.031 1.018 1.00 0.00 H new ATOM 0 HH TYR A 128 -7.667 -7.890 1.772 1.00 0.00 H new ATOM 375 N PHE A 129 -4.238 -5.751 -3.619 1.00 0.00 N ATOM 376 CA PHE A 129 -4.801 -4.425 -3.350 1.00 0.00 C ATOM 377 C PHE A 129 -5.506 -3.708 -4.513 1.00 0.00 C ATOM 378 O PHE A 129 -6.460 -2.964 -4.288 1.00 0.00 O ATOM 379 CB PHE A 129 -3.826 -3.544 -2.558 1.00 0.00 C ATOM 380 CG PHE A 129 -3.669 -3.992 -1.116 1.00 0.00 C ATOM 381 CD1 PHE A 129 -2.450 -4.550 -0.689 1.00 0.00 C ATOM 382 CD2 PHE A 129 -4.755 -3.933 -0.221 1.00 0.00 C ATOM 383 CE1 PHE A 129 -2.329 -5.083 0.604 1.00 0.00 C ATOM 384 CE2 PHE A 129 -4.637 -4.482 1.069 1.00 0.00 C ATOM 385 CZ PHE A 129 -3.429 -5.074 1.471 1.00 0.00 C ATOM 0 H PHE A 129 -3.219 -5.767 -3.666 1.00 0.00 H new ATOM 0 HA PHE A 129 -5.655 -4.632 -2.705 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -2.852 -3.558 -3.046 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -4.177 -2.512 -2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -1.603 -4.568 -1.359 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -5.680 -3.466 -0.525 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -1.388 -5.500 0.930 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -5.475 -4.448 1.749 1.00 0.00 H new ATOM 0 HZ PHE A 129 -3.348 -5.523 2.450 1.00 0.00 H new ATOM 395 N GLU A 130 -5.113 -4.003 -5.758 1.00 0.00 N ATOM 396 CA GLU A 130 -5.767 -3.485 -6.975 1.00 0.00 C ATOM 397 C GLU A 130 -7.242 -3.902 -7.148 1.00 0.00 C ATOM 398 O GLU A 130 -7.971 -3.286 -7.927 1.00 0.00 O ATOM 399 CB GLU A 130 -4.942 -3.841 -8.227 1.00 0.00 C ATOM 400 CG GLU A 130 -3.751 -2.885 -8.387 1.00 0.00 C ATOM 401 CD GLU A 130 -2.908 -3.110 -9.655 1.00 0.00 C ATOM 402 OE1 GLU A 130 -3.117 -4.092 -10.403 1.00 0.00 O ATOM 403 OE2 GLU A 130 -2.032 -2.252 -9.926 1.00 0.00 O ATOM 0 H GLU A 130 -4.322 -4.616 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 130 -5.795 -2.403 -6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -4.582 -4.867 -8.151 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -5.576 -3.790 -9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -4.124 -1.861 -8.393 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -3.104 -2.984 -7.515 1.00 0.00 H new ATOM 410 N GLN A 131 -7.708 -4.903 -6.391 1.00 0.00 N ATOM 411 CA GLN A 131 -9.119 -5.311 -6.319 1.00 0.00 C ATOM 412 C GLN A 131 -10.031 -4.198 -5.787 1.00 0.00 C ATOM 413 O GLN A 131 -11.111 -3.940 -6.323 1.00 0.00 O ATOM 414 CB GLN A 131 -9.237 -6.523 -5.383 1.00 0.00 C ATOM 415 CG GLN A 131 -8.463 -7.722 -5.933 1.00 0.00 C ATOM 416 CD GLN A 131 -8.655 -8.968 -5.076 1.00 0.00 C ATOM 417 OE1 GLN A 131 -9.425 -9.869 -5.389 1.00 0.00 O ATOM 418 NE2 GLN A 131 -8.111 -8.981 -3.879 1.00 0.00 N ATOM 0 H GLN A 131 -7.100 -5.466 -5.796 1.00 0.00 H new ATOM 0 HA GLN A 131 -9.441 -5.550 -7.333 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -8.856 -6.262 -4.396 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -10.287 -6.790 -5.259 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -8.791 -7.929 -6.952 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -7.402 -7.477 -5.983 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -7.468 -8.239 -3.603 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -8.332 -9.733 -3.227 1.00 0.00 H new ATOM 427 N PHE A 132 -9.573 -3.543 -4.720 1.00 0.00 N ATOM 428 CA PHE A 132 -10.280 -2.444 -4.046 1.00 0.00 C ATOM 429 C PHE A 132 -10.304 -1.137 -4.852 1.00 0.00 C ATOM 430 O PHE A 132 -11.294 -0.403 -4.837 1.00 0.00 O ATOM 431 CB PHE A 132 -9.658 -2.204 -2.663 1.00 0.00 C ATOM 432 CG PHE A 132 -9.740 -3.409 -1.750 1.00 0.00 C ATOM 433 CD1 PHE A 132 -8.565 -4.106 -1.410 1.00 0.00 C ATOM 434 CD2 PHE A 132 -10.982 -3.858 -1.268 1.00 0.00 C ATOM 435 CE1 PHE A 132 -8.627 -5.234 -0.576 1.00 0.00 C ATOM 436 CE2 PHE A 132 -11.047 -5.007 -0.460 1.00 0.00 C ATOM 437 CZ PHE A 132 -9.871 -5.691 -0.106 1.00 0.00 C ATOM 0 H PHE A 132 -8.677 -3.765 -4.286 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.320 -2.755 -3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -8.613 -1.922 -2.787 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -10.161 -1.362 -2.188 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -7.612 -3.772 -1.792 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -11.885 -3.321 -1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -7.720 -5.750 -0.296 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -12.004 -5.365 -0.110 1.00 0.00 H new ATOM 0 HZ PHE A 132 -9.923 -6.566 0.526 1.00 0.00 H new ATOM 447 N GLY A 133 -9.209 -0.865 -5.560 1.00 0.00 N ATOM 448 CA GLY A 133 -8.980 0.300 -6.415 1.00 0.00 C ATOM 449 C GLY A 133 -7.503 0.395 -6.810 1.00 0.00 C ATOM 450 O GLY A 133 -6.660 -0.284 -6.219 1.00 0.00 O ATOM 0 H GLY A 133 -8.405 -1.493 -5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -9.598 0.228 -7.310 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -9.281 1.207 -5.891 1.00 0.00 H new ATOM 454 N LYS A 134 -7.170 1.202 -7.822 1.00 0.00 N ATOM 455 CA LYS A 134 -5.834 1.194 -8.437 1.00 0.00 C ATOM 456 C LYS A 134 -4.711 1.549 -7.452 1.00 0.00 C ATOM 457 O LYS A 134 -4.784 2.524 -6.701 1.00 0.00 O ATOM 458 CB LYS A 134 -5.813 2.068 -9.707 1.00 0.00 C ATOM 459 CG LYS A 134 -4.477 2.037 -10.477 1.00 0.00 C ATOM 460 CD LYS A 134 -4.127 0.643 -11.029 1.00 0.00 C ATOM 461 CE LYS A 134 -2.797 0.674 -11.788 1.00 0.00 C ATOM 462 NZ LYS A 134 -2.405 -0.689 -12.234 1.00 0.00 N ATOM 0 H LYS A 134 -7.813 1.876 -8.238 1.00 0.00 H new ATOM 0 HA LYS A 134 -5.625 0.168 -8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -6.611 1.739 -10.373 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -6.035 3.098 -9.429 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.525 2.746 -11.303 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.677 2.371 -9.817 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -4.066 -0.072 -10.209 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -4.921 0.300 -11.692 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -2.883 1.332 -12.652 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -2.019 1.089 -11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -1.537 -0.632 -12.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -2.235 -1.291 -11.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -3.169 -1.099 -12.808 1.00 0.00 H new ATOM 476 N VAL A 135 -3.651 0.747 -7.512 1.00 0.00 N ATOM 477 CA VAL A 135 -2.410 0.878 -6.740 1.00 0.00 C ATOM 478 C VAL A 135 -1.324 1.483 -7.631 1.00 0.00 C ATOM 479 O VAL A 135 -1.055 0.987 -8.726 1.00 0.00 O ATOM 480 CB VAL A 135 -1.988 -0.487 -6.161 1.00 0.00 C ATOM 481 CG1 VAL A 135 -0.715 -0.420 -5.317 1.00 0.00 C ATOM 482 CG2 VAL A 135 -3.087 -1.083 -5.271 1.00 0.00 C ATOM 0 H VAL A 135 -3.630 -0.060 -8.136 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.569 1.546 -5.894 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.806 -1.112 -7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.475 -1.414 -4.941 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.109 -0.055 -5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.870 0.258 -4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.756 -2.045 -4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -3.292 -0.405 -4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -3.995 -1.223 -5.858 1.00 0.00 H new ATOM 492 N ASP A 136 -0.693 2.554 -7.159 1.00 0.00 N ATOM 493 CA ASP A 136 0.424 3.228 -7.822 1.00 0.00 C ATOM 494 C ASP A 136 1.733 2.420 -7.759 1.00 0.00 C ATOM 495 O ASP A 136 2.375 2.168 -8.779 1.00 0.00 O ATOM 496 CB ASP A 136 0.586 4.631 -7.208 1.00 0.00 C ATOM 497 CG ASP A 136 1.828 5.391 -7.709 1.00 0.00 C ATOM 498 OD1 ASP A 136 2.104 5.380 -8.931 1.00 0.00 O ATOM 499 OD2 ASP A 136 2.506 6.044 -6.880 1.00 0.00 O ATOM 0 H ASP A 136 -0.952 2.993 -6.275 1.00 0.00 H new ATOM 0 HA ASP A 136 0.195 3.316 -8.884 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -0.303 5.220 -7.432 1.00 0.00 H new ATOM 0 HB3 ASP A 136 0.642 4.538 -6.123 1.00 0.00 H new ATOM 504 N ASP A 137 2.101 1.964 -6.556 1.00 0.00 N ATOM 505 CA ASP A 137 3.366 1.269 -6.281 1.00 0.00 C ATOM 506 C ASP A 137 3.250 0.466 -4.967 1.00 0.00 C ATOM 507 O ASP A 137 2.400 0.751 -4.119 1.00 0.00 O ATOM 508 CB ASP A 137 4.481 2.327 -6.146 1.00 0.00 C ATOM 509 CG ASP A 137 5.904 1.742 -6.197 1.00 0.00 C ATOM 510 OD1 ASP A 137 6.853 2.455 -5.792 1.00 0.00 O ATOM 511 OD2 ASP A 137 6.083 0.593 -6.664 1.00 0.00 O ATOM 0 H ASP A 137 1.515 2.070 -5.728 1.00 0.00 H new ATOM 0 HA ASP A 137 3.597 0.579 -7.093 1.00 0.00 H new ATOM 0 HB2 ASP A 137 4.371 3.061 -6.945 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.351 2.860 -5.204 1.00 0.00 H new ATOM 516 N ALA A 138 4.131 -0.517 -4.778 1.00 0.00 N ATOM 517 CA ALA A 138 4.257 -1.323 -3.562 1.00 0.00 C ATOM 518 C ALA A 138 5.736 -1.661 -3.269 1.00 0.00 C ATOM 519 O ALA A 138 6.557 -1.727 -4.189 1.00 0.00 O ATOM 520 CB ALA A 138 3.393 -2.586 -3.708 1.00 0.00 C ATOM 0 H ALA A 138 4.804 -0.785 -5.497 1.00 0.00 H new ATOM 0 HA ALA A 138 3.897 -0.753 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 138 3.480 -3.193 -2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.351 -2.300 -3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.734 -3.162 -4.568 1.00 0.00 H new ATOM 526 N MET A 139 6.079 -1.895 -1.998 1.00 0.00 N ATOM 527 CA MET A 139 7.427 -2.298 -1.560 1.00 0.00 C ATOM 528 C MET A 139 7.390 -3.105 -0.254 1.00 0.00 C ATOM 529 O MET A 139 6.720 -2.710 0.697 1.00 0.00 O ATOM 530 CB MET A 139 8.355 -1.074 -1.436 1.00 0.00 C ATOM 531 CG MET A 139 7.824 0.052 -0.536 1.00 0.00 C ATOM 532 SD MET A 139 9.024 1.389 -0.285 1.00 0.00 S ATOM 533 CE MET A 139 8.170 2.355 0.988 1.00 0.00 C ATOM 0 H MET A 139 5.417 -1.809 -1.227 1.00 0.00 H new ATOM 0 HA MET A 139 7.835 -2.955 -2.328 1.00 0.00 H new ATOM 0 HB2 MET A 139 9.319 -1.405 -1.049 1.00 0.00 H new ATOM 0 HB3 MET A 139 8.534 -0.669 -2.432 1.00 0.00 H new ATOM 0 HG2 MET A 139 6.917 0.464 -0.977 1.00 0.00 H new ATOM 0 HG3 MET A 139 7.546 -0.365 0.432 1.00 0.00 H new ATOM 0 HE1 MET A 139 8.777 3.219 1.257 1.00 0.00 H new ATOM 0 HE2 MET A 139 7.208 2.693 0.604 1.00 0.00 H new ATOM 0 HE3 MET A 139 8.011 1.735 1.870 1.00 0.00 H new ATOM 543 N LEU A 140 8.121 -4.225 -0.185 1.00 0.00 N ATOM 544 CA LEU A 140 8.284 -5.032 1.037 1.00 0.00 C ATOM 545 C LEU A 140 9.650 -4.762 1.679 1.00 0.00 C ATOM 546 O LEU A 140 10.633 -4.536 0.970 1.00 0.00 O ATOM 547 CB LEU A 140 8.048 -6.530 0.760 1.00 0.00 C ATOM 548 CG LEU A 140 6.767 -6.858 -0.034 1.00 0.00 C ATOM 549 CD1 LEU A 140 6.543 -8.368 -0.076 1.00 0.00 C ATOM 550 CD2 LEU A 140 5.510 -6.220 0.559 1.00 0.00 C ATOM 0 H LEU A 140 8.624 -4.604 -0.987 1.00 0.00 H new ATOM 0 HA LEU A 140 7.521 -4.730 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 140 8.906 -6.921 0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 140 8.010 -7.058 1.713 1.00 0.00 H new ATOM 0 HG LEU A 140 6.924 -6.449 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 140 5.636 -8.586 -0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 140 7.394 -8.849 -0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 140 6.439 -8.749 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 140 4.645 -6.490 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 140 5.366 -6.579 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 140 5.622 -5.136 0.569 1.00 0.00 H new ATOM 562 N MET A 141 9.719 -4.735 3.012 1.00 0.00 N ATOM 563 CA MET A 141 10.917 -4.274 3.728 1.00 0.00 C ATOM 564 C MET A 141 11.987 -5.371 3.801 1.00 0.00 C ATOM 565 O MET A 141 12.031 -6.153 4.753 1.00 0.00 O ATOM 566 CB MET A 141 10.547 -3.729 5.115 1.00 0.00 C ATOM 567 CG MET A 141 9.549 -2.565 5.087 1.00 0.00 C ATOM 568 SD MET A 141 9.969 -1.083 4.128 1.00 0.00 S ATOM 569 CE MET A 141 9.282 -1.447 2.502 1.00 0.00 C ATOM 0 H MET A 141 8.956 -5.028 3.623 1.00 0.00 H new ATOM 0 HA MET A 141 11.355 -3.452 3.162 1.00 0.00 H new ATOM 0 HB2 MET A 141 10.127 -4.539 5.711 1.00 0.00 H new ATOM 0 HB3 MET A 141 11.456 -3.401 5.619 1.00 0.00 H new ATOM 0 HG2 MET A 141 8.603 -2.949 4.705 1.00 0.00 H new ATOM 0 HG3 MET A 141 9.374 -2.254 6.117 1.00 0.00 H new ATOM 0 HE1 MET A 141 9.021 -0.515 2.001 1.00 0.00 H new ATOM 0 HE2 MET A 141 10.020 -1.985 1.907 1.00 0.00 H new ATOM 0 HE3 MET A 141 8.389 -2.062 2.614 1.00 0.00 H new ATOM 699 N HIS A 149 12.117 -10.655 3.453 1.00 0.00 N ATOM 700 CA HIS A 149 11.696 -9.389 4.066 1.00 0.00 C ATOM 701 C HIS A 149 11.265 -9.573 5.529 1.00 0.00 C ATOM 702 O HIS A 149 11.081 -10.695 6.006 1.00 0.00 O ATOM 703 CB HIS A 149 10.610 -8.731 3.198 1.00 0.00 C ATOM 704 CG HIS A 149 9.396 -9.596 2.993 1.00 0.00 C ATOM 705 ND1 HIS A 149 8.386 -9.813 3.936 1.00 0.00 N ATOM 706 CD2 HIS A 149 9.071 -10.233 1.834 1.00 0.00 C ATOM 707 CE1 HIS A 149 7.486 -10.601 3.321 1.00 0.00 C ATOM 708 NE2 HIS A 149 7.877 -10.875 2.065 1.00 0.00 N ATOM 0 HA HIS A 149 12.550 -8.713 4.102 1.00 0.00 H new ATOM 0 HB2 HIS A 149 10.304 -7.794 3.663 1.00 0.00 H new ATOM 0 HB3 HIS A 149 11.036 -8.481 2.226 1.00 0.00 H new ATOM 0 HD2 HIS A 149 9.639 -10.234 0.915 1.00 0.00 H new ATOM 0 HE1 HIS A 149 6.575 -10.963 3.774 1.00 0.00 H new ATOM 0 HE2 HIS A 149 7.374 -11.459 1.397 1.00 0.00 H new ATOM 716 N ARG A 150 11.117 -8.455 6.247 1.00 0.00 N ATOM 717 CA ARG A 150 10.774 -8.385 7.681 1.00 0.00 C ATOM 718 C ARG A 150 9.329 -8.797 8.033 1.00 0.00 C ATOM 719 O ARG A 150 8.903 -8.608 9.171 1.00 0.00 O ATOM 720 CB ARG A 150 11.095 -6.969 8.202 1.00 0.00 C ATOM 721 CG ARG A 150 12.585 -6.585 8.155 1.00 0.00 C ATOM 722 CD ARG A 150 12.810 -5.119 8.562 1.00 0.00 C ATOM 723 NE ARG A 150 12.519 -4.871 9.989 1.00 0.00 N ATOM 724 CZ ARG A 150 12.363 -3.684 10.551 1.00 0.00 C ATOM 725 NH1 ARG A 150 12.634 -2.571 9.938 1.00 0.00 N ATOM 726 NH2 ARG A 150 11.908 -3.587 11.765 1.00 0.00 N ATOM 0 H ARG A 150 11.237 -7.531 5.832 1.00 0.00 H new ATOM 0 HA ARG A 150 11.388 -9.132 8.183 1.00 0.00 H new ATOM 0 HB2 ARG A 150 10.529 -6.245 7.616 1.00 0.00 H new ATOM 0 HB3 ARG A 150 10.746 -6.888 9.231 1.00 0.00 H new ATOM 0 HG2 ARG A 150 13.150 -7.238 8.821 1.00 0.00 H new ATOM 0 HG3 ARG A 150 12.970 -6.746 7.148 1.00 0.00 H new ATOM 0 HD2 ARG A 150 13.844 -4.843 8.353 1.00 0.00 H new ATOM 0 HD3 ARG A 150 12.178 -4.475 7.950 1.00 0.00 H new ATOM 0 HE ARG A 150 12.431 -5.687 10.594 1.00 0.00 H new ATOM 0 HH11 ARG A 150 12.984 -2.588 8.980 1.00 0.00 H new ATOM 0 HH12 ARG A 150 12.497 -1.680 10.415 1.00 0.00 H new ATOM 0 HH21 ARG A 150 11.669 -4.429 12.289 1.00 0.00 H new ATOM 0 HH22 ARG A 150 11.790 -2.669 12.193 1.00 0.00 H new ATOM 740 N GLY A 151 8.554 -9.327 7.082 1.00 0.00 N ATOM 741 CA GLY A 151 7.143 -9.690 7.264 1.00 0.00 C ATOM 742 C GLY A 151 6.168 -8.513 7.160 1.00 0.00 C ATOM 743 O GLY A 151 5.019 -8.633 7.590 1.00 0.00 O ATOM 0 H GLY A 151 8.897 -9.521 6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 151 6.873 -10.436 6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 151 7.024 -10.159 8.241 1.00 0.00 H new ATOM 747 N PHE A 152 6.594 -7.370 6.611 1.00 0.00 N ATOM 748 CA PHE A 152 5.722 -6.212 6.392 1.00 0.00 C ATOM 749 C PHE A 152 6.214 -5.369 5.202 1.00 0.00 C ATOM 750 O PHE A 152 7.350 -5.503 4.732 1.00 0.00 O ATOM 751 CB PHE A 152 5.642 -5.362 7.672 1.00 0.00 C ATOM 752 CG PHE A 152 6.892 -4.600 8.063 1.00 0.00 C ATOM 753 CD1 PHE A 152 7.003 -3.238 7.728 1.00 0.00 C ATOM 754 CD2 PHE A 152 7.912 -5.220 8.806 1.00 0.00 C ATOM 755 CE1 PHE A 152 8.108 -2.491 8.163 1.00 0.00 C ATOM 756 CE2 PHE A 152 9.028 -4.476 9.227 1.00 0.00 C ATOM 757 CZ PHE A 152 9.121 -3.113 8.912 1.00 0.00 C ATOM 0 H PHE A 152 7.556 -7.222 6.305 1.00 0.00 H new ATOM 0 HA PHE A 152 4.722 -6.572 6.151 1.00 0.00 H new ATOM 0 HB2 PHE A 152 4.830 -4.645 7.554 1.00 0.00 H new ATOM 0 HB3 PHE A 152 5.371 -6.018 8.499 1.00 0.00 H new ATOM 0 HD1 PHE A 152 6.235 -2.766 7.134 1.00 0.00 H new ATOM 0 HD2 PHE A 152 7.838 -6.269 9.053 1.00 0.00 H new ATOM 0 HE1 PHE A 152 8.180 -1.441 7.923 1.00 0.00 H new ATOM 0 HE2 PHE A 152 9.814 -4.954 9.793 1.00 0.00 H new ATOM 0 HZ PHE A 152 9.973 -2.540 9.246 1.00 0.00 H new ATOM 767 N GLY A 153 5.341 -4.488 4.712 1.00 0.00 N ATOM 768 CA GLY A 153 5.619 -3.583 3.598 1.00 0.00 C ATOM 769 C GLY A 153 4.655 -2.399 3.507 1.00 0.00 C ATOM 770 O GLY A 153 3.783 -2.216 4.358 1.00 0.00 O ATOM 0 H GLY A 153 4.399 -4.382 5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 153 6.636 -3.204 3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 153 5.577 -4.146 2.666 1.00 0.00 H new ATOM 774 N PHE A 154 4.821 -1.608 2.449 1.00 0.00 N ATOM 775 CA PHE A 154 4.005 -0.445 2.106 1.00 0.00 C ATOM 776 C PHE A 154 3.306 -0.533 0.746 1.00 0.00 C ATOM 777 O PHE A 154 3.855 -1.106 -0.200 1.00 0.00 O ATOM 778 CB PHE A 154 4.826 0.843 2.232 1.00 0.00 C ATOM 779 CG PHE A 154 5.242 1.165 3.649 1.00 0.00 C ATOM 780 CD1 PHE A 154 6.459 0.660 4.140 1.00 0.00 C ATOM 781 CD2 PHE A 154 4.414 1.931 4.489 1.00 0.00 C ATOM 782 CE1 PHE A 154 6.848 0.916 5.462 1.00 0.00 C ATOM 783 CE2 PHE A 154 4.817 2.210 5.808 1.00 0.00 C ATOM 784 CZ PHE A 154 6.037 1.705 6.294 1.00 0.00 C ATOM 0 H PHE A 154 5.567 -1.769 1.773 1.00 0.00 H new ATOM 0 HA PHE A 154 3.193 -0.429 2.833 1.00 0.00 H new ATOM 0 HB2 PHE A 154 5.718 0.756 1.612 1.00 0.00 H new ATOM 0 HB3 PHE A 154 4.243 1.675 1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 154 7.097 0.073 3.496 1.00 0.00 H new ATOM 0 HD2 PHE A 154 3.470 2.305 4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 154 7.772 0.506 5.841 1.00 0.00 H new ATOM 0 HE2 PHE A 154 4.189 2.812 6.448 1.00 0.00 H new ATOM 0 HZ PHE A 154 6.349 1.924 7.305 1.00 0.00 H new ATOM 794 N VAL A 155 2.119 0.067 0.634 1.00 0.00 N ATOM 795 CA VAL A 155 1.294 0.089 -0.588 1.00 0.00 C ATOM 796 C VAL A 155 0.706 1.480 -0.839 1.00 0.00 C ATOM 797 O VAL A 155 0.042 2.032 0.039 1.00 0.00 O ATOM 798 CB VAL A 155 0.203 -1.006 -0.563 1.00 0.00 C ATOM 799 CG1 VAL A 155 -0.483 -1.144 -1.922 1.00 0.00 C ATOM 800 CG2 VAL A 155 0.737 -2.387 -0.160 1.00 0.00 C ATOM 0 H VAL A 155 1.688 0.567 1.411 1.00 0.00 H new ATOM 0 HA VAL A 155 1.949 -0.140 -1.429 1.00 0.00 H new ATOM 0 HB VAL A 155 -0.509 -0.674 0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -1.244 -1.922 -1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -0.951 -0.197 -2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 155 0.256 -1.411 -2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -0.080 -3.108 -0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 155 1.502 -2.703 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 155 1.169 -2.333 0.839 1.00 0.00 H new ATOM 810 N THR A 156 0.965 2.048 -2.021 1.00 0.00 N ATOM 811 CA THR A 156 0.563 3.404 -2.453 1.00 0.00 C ATOM 812 C THR A 156 -0.592 3.433 -3.452 1.00 0.00 C ATOM 813 O THR A 156 -0.599 2.643 -4.390 1.00 0.00 O ATOM 814 CB THR A 156 1.748 4.267 -2.933 1.00 0.00 C ATOM 815 OG1 THR A 156 2.934 3.973 -2.221 1.00 0.00 O ATOM 816 CG2 THR A 156 1.486 5.765 -2.780 1.00 0.00 C ATOM 0 H THR A 156 1.487 1.554 -2.745 1.00 0.00 H new ATOM 0 HA THR A 156 0.179 3.862 -1.542 1.00 0.00 H new ATOM 0 HB THR A 156 1.865 4.022 -3.989 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.663 4.537 -2.553 1.00 0.00 H new ATOM 0 HG21 THR A 156 2.353 6.324 -3.133 1.00 0.00 H new ATOM 0 HG22 THR A 156 0.611 6.043 -3.367 1.00 0.00 H new ATOM 0 HG23 THR A 156 1.307 5.998 -1.730 1.00 0.00 H new ATOM 824 N PHE A 157 -1.553 4.342 -3.300 1.00 0.00 N ATOM 825 CA PHE A 157 -2.831 4.347 -4.009 1.00 0.00 C ATOM 826 C PHE A 157 -3.064 5.483 -5.010 1.00 0.00 C ATOM 827 O PHE A 157 -2.502 6.569 -4.880 1.00 0.00 O ATOM 828 CB PHE A 157 -3.971 4.196 -2.993 1.00 0.00 C ATOM 829 CG PHE A 157 -4.068 2.808 -2.384 1.00 0.00 C ATOM 830 CD1 PHE A 157 -5.028 1.889 -2.849 1.00 0.00 C ATOM 831 CD2 PHE A 157 -3.186 2.423 -1.359 1.00 0.00 C ATOM 832 CE1 PHE A 157 -5.105 0.599 -2.293 1.00 0.00 C ATOM 833 CE2 PHE A 157 -3.253 1.130 -0.817 1.00 0.00 C ATOM 834 CZ PHE A 157 -4.215 0.217 -1.278 1.00 0.00 C ATOM 0 H PHE A 157 -1.459 5.126 -2.654 1.00 0.00 H new ATOM 0 HA PHE A 157 -2.803 3.484 -4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -3.832 4.924 -2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 157 -4.915 4.435 -3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -5.709 2.176 -3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 157 -2.454 3.125 -0.987 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -5.850 -0.098 -2.648 1.00 0.00 H new ATOM 0 HE2 PHE A 157 -2.561 0.836 -0.042 1.00 0.00 H new ATOM 0 HZ PHE A 157 -4.270 -0.774 -0.853 1.00 0.00 H new ATOM 844 N GLU A 158 -3.941 5.249 -5.984 1.00 0.00 N ATOM 845 CA GLU A 158 -4.438 6.284 -6.906 1.00 0.00 C ATOM 846 C GLU A 158 -5.309 7.334 -6.188 1.00 0.00 C ATOM 847 O GLU A 158 -5.247 8.524 -6.510 1.00 0.00 O ATOM 848 CB GLU A 158 -5.201 5.591 -8.051 1.00 0.00 C ATOM 849 CG GLU A 158 -5.892 6.520 -9.065 1.00 0.00 C ATOM 850 CD GLU A 158 -4.946 7.406 -9.908 1.00 0.00 C ATOM 851 OE1 GLU A 158 -3.701 7.281 -9.818 1.00 0.00 O ATOM 852 OE2 GLU A 158 -5.460 8.233 -10.701 1.00 0.00 O ATOM 0 H GLU A 158 -4.335 4.325 -6.162 1.00 0.00 H new ATOM 0 HA GLU A 158 -3.592 6.836 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.502 4.953 -8.592 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -5.956 4.938 -7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -6.489 5.910 -9.742 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -6.583 7.168 -8.526 1.00 0.00 H new ATOM 859 N SER A 159 -6.079 6.919 -5.173 1.00 0.00 N ATOM 860 CA SER A 159 -6.958 7.787 -4.377 1.00 0.00 C ATOM 861 C SER A 159 -6.961 7.415 -2.893 1.00 0.00 C ATOM 862 O SER A 159 -6.950 6.237 -2.527 1.00 0.00 O ATOM 863 CB SER A 159 -8.382 7.757 -4.941 1.00 0.00 C ATOM 864 OG SER A 159 -9.231 8.588 -4.166 1.00 0.00 O ATOM 0 H SER A 159 -6.109 5.944 -4.875 1.00 0.00 H new ATOM 0 HA SER A 159 -6.562 8.800 -4.448 1.00 0.00 H new ATOM 0 HB2 SER A 159 -8.378 8.094 -5.978 1.00 0.00 H new ATOM 0 HB3 SER A 159 -8.761 6.735 -4.939 1.00 0.00 H new ATOM 0 HG SER A 159 -10.138 8.564 -4.535 1.00 0.00 H new ATOM 870 N GLU A 160 -7.034 8.429 -2.026 1.00 0.00 N ATOM 871 CA GLU A 160 -7.210 8.246 -0.580 1.00 0.00 C ATOM 872 C GLU A 160 -8.583 7.644 -0.222 1.00 0.00 C ATOM 873 O GLU A 160 -8.725 7.025 0.831 1.00 0.00 O ATOM 874 CB GLU A 160 -6.961 9.566 0.172 1.00 0.00 C ATOM 875 CG GLU A 160 -7.843 10.740 -0.292 1.00 0.00 C ATOM 876 CD GLU A 160 -7.672 12.023 0.553 1.00 0.00 C ATOM 877 OE1 GLU A 160 -6.924 12.033 1.562 1.00 0.00 O ATOM 878 OE2 GLU A 160 -8.310 13.049 0.206 1.00 0.00 O ATOM 0 H GLU A 160 -6.972 9.407 -2.308 1.00 0.00 H new ATOM 0 HA GLU A 160 -6.463 7.521 -0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 160 -7.128 9.401 1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -5.914 9.845 0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -7.610 10.968 -1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 160 -8.888 10.432 -0.260 1.00 0.00 H new ATOM 885 N ASP A 161 -9.579 7.734 -1.113 1.00 0.00 N ATOM 886 CA ASP A 161 -10.851 7.016 -0.955 1.00 0.00 C ATOM 887 C ASP A 161 -10.722 5.484 -0.949 1.00 0.00 C ATOM 888 O ASP A 161 -11.467 4.796 -0.245 1.00 0.00 O ATOM 889 CB ASP A 161 -11.894 7.485 -1.985 1.00 0.00 C ATOM 890 CG ASP A 161 -12.489 8.884 -1.732 1.00 0.00 C ATOM 891 OD1 ASP A 161 -13.201 9.390 -2.633 1.00 0.00 O ATOM 892 OD2 ASP A 161 -12.296 9.476 -0.642 1.00 0.00 O ATOM 0 H ASP A 161 -9.527 8.302 -1.958 1.00 0.00 H new ATOM 0 HA ASP A 161 -11.202 7.278 0.043 1.00 0.00 H new ATOM 0 HB2 ASP A 161 -11.433 7.478 -2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -12.708 6.761 -2.008 1.00 0.00 H new ATOM 897 N ILE A 162 -9.736 4.945 -1.679 1.00 0.00 N ATOM 898 CA ILE A 162 -9.388 3.520 -1.603 1.00 0.00 C ATOM 899 C ILE A 162 -8.655 3.228 -0.298 1.00 0.00 C ATOM 900 O ILE A 162 -8.981 2.250 0.364 1.00 0.00 O ATOM 901 CB ILE A 162 -8.536 3.043 -2.795 1.00 0.00 C ATOM 902 CG1 ILE A 162 -9.022 3.533 -4.164 1.00 0.00 C ATOM 903 CG2 ILE A 162 -8.460 1.507 -2.806 1.00 0.00 C ATOM 904 CD1 ILE A 162 -10.502 3.266 -4.478 1.00 0.00 C ATOM 0 H ILE A 162 -9.162 5.478 -2.332 1.00 0.00 H new ATOM 0 HA ILE A 162 -10.327 2.967 -1.639 1.00 0.00 H new ATOM 0 HB ILE A 162 -7.552 3.486 -2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 162 -8.843 4.606 -4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 162 -8.414 3.060 -4.936 1.00 0.00 H new ATOM 0 HG21 ILE A 162 -7.856 1.179 -3.652 1.00 0.00 H new ATOM 0 HG22 ILE A 162 -8.006 1.159 -1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 162 -9.465 1.094 -2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 162 -10.739 3.653 -5.469 1.00 0.00 H new ATOM 0 HD12 ILE A 162 -10.692 2.193 -4.452 1.00 0.00 H new ATOM 0 HD13 ILE A 162 -11.127 3.763 -3.736 1.00 0.00 H new ATOM 916 N VAL A 163 -7.719 4.086 0.121 1.00 0.00 N ATOM 917 CA VAL A 163 -6.983 3.897 1.384 1.00 0.00 C ATOM 918 C VAL A 163 -7.970 3.788 2.550 1.00 0.00 C ATOM 919 O VAL A 163 -7.846 2.877 3.363 1.00 0.00 O ATOM 920 CB VAL A 163 -5.999 5.056 1.639 1.00 0.00 C ATOM 921 CG1 VAL A 163 -5.363 5.025 3.033 1.00 0.00 C ATOM 922 CG2 VAL A 163 -4.893 5.007 0.590 1.00 0.00 C ATOM 0 H VAL A 163 -7.449 4.923 -0.396 1.00 0.00 H new ATOM 0 HA VAL A 163 -6.407 2.975 1.304 1.00 0.00 H new ATOM 0 HB VAL A 163 -6.575 5.979 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -4.683 5.870 3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -6.144 5.089 3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -4.809 4.095 3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -4.192 5.823 0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -4.366 4.055 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -5.329 5.107 -0.404 1.00 0.00 H new ATOM 932 N GLU A 164 -8.991 4.649 2.593 1.00 0.00 N ATOM 933 CA GLU A 164 -10.091 4.556 3.563 1.00 0.00 C ATOM 934 C GLU A 164 -10.870 3.232 3.465 1.00 0.00 C ATOM 935 O GLU A 164 -11.058 2.564 4.481 1.00 0.00 O ATOM 936 CB GLU A 164 -11.054 5.748 3.400 1.00 0.00 C ATOM 937 CG GLU A 164 -10.466 7.105 3.823 1.00 0.00 C ATOM 938 CD GLU A 164 -10.211 7.263 5.335 1.00 0.00 C ATOM 939 OE1 GLU A 164 -9.583 8.277 5.725 1.00 0.00 O ATOM 940 OE2 GLU A 164 -10.613 6.400 6.151 1.00 0.00 O ATOM 0 H GLU A 164 -9.080 5.437 1.951 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.635 4.584 4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -11.363 5.809 2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -11.952 5.556 3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -9.525 7.257 3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -11.145 7.894 3.500 1.00 0.00 H new ATOM 947 N LYS A 165 -11.274 2.804 2.258 1.00 0.00 N ATOM 948 CA LYS A 165 -11.987 1.529 2.025 1.00 0.00 C ATOM 949 C LYS A 165 -11.196 0.317 2.539 1.00 0.00 C ATOM 950 O LYS A 165 -11.723 -0.509 3.284 1.00 0.00 O ATOM 951 CB LYS A 165 -12.295 1.409 0.522 1.00 0.00 C ATOM 952 CG LYS A 165 -13.139 0.170 0.175 1.00 0.00 C ATOM 953 CD LYS A 165 -13.310 -0.010 -1.342 1.00 0.00 C ATOM 954 CE LYS A 165 -14.003 1.154 -2.070 1.00 0.00 C ATOM 955 NZ LYS A 165 -15.419 1.331 -1.645 1.00 0.00 N ATOM 0 H LYS A 165 -11.115 3.337 1.403 1.00 0.00 H new ATOM 0 HA LYS A 165 -12.918 1.535 2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -12.823 2.304 0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -11.358 1.369 -0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -12.666 -0.718 0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -14.120 0.259 0.642 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -12.326 -0.160 -1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -13.882 -0.920 -1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -13.453 2.076 -1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -13.969 0.977 -3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -15.840 2.127 -2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -15.954 0.463 -1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -15.453 1.527 -0.624 1.00 0.00 H new ATOM 969 N VAL A 166 -9.919 0.240 2.169 1.00 0.00 N ATOM 970 CA VAL A 166 -8.972 -0.820 2.555 1.00 0.00 C ATOM 971 C VAL A 166 -8.701 -0.792 4.068 1.00 0.00 C ATOM 972 O VAL A 166 -8.725 -1.835 4.723 1.00 0.00 O ATOM 973 CB VAL A 166 -7.667 -0.667 1.743 1.00 0.00 C ATOM 974 CG1 VAL A 166 -6.646 -1.761 2.058 1.00 0.00 C ATOM 975 CG2 VAL A 166 -7.906 -0.723 0.225 1.00 0.00 C ATOM 0 H VAL A 166 -9.491 0.942 1.566 1.00 0.00 H new ATOM 0 HA VAL A 166 -9.411 -1.791 2.327 1.00 0.00 H new ATOM 0 HB VAL A 166 -7.285 0.311 2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -5.749 -1.604 1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -6.387 -1.724 3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -7.073 -2.736 1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -6.956 -0.610 -0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -8.353 -1.682 -0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -8.579 0.083 -0.067 1.00 0.00 H new ATOM 985 N CYS A 167 -8.506 0.391 4.654 1.00 0.00 N ATOM 986 CA CYS A 167 -8.293 0.550 6.102 1.00 0.00 C ATOM 987 C CYS A 167 -9.530 0.254 6.973 1.00 0.00 C ATOM 988 O CYS A 167 -9.379 -0.261 8.080 1.00 0.00 O ATOM 989 CB CYS A 167 -7.745 1.951 6.411 1.00 0.00 C ATOM 990 SG CYS A 167 -6.018 2.087 5.865 1.00 0.00 S ATOM 0 H CYS A 167 -8.491 1.272 4.139 1.00 0.00 H new ATOM 0 HA CYS A 167 -7.560 -0.210 6.372 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -8.352 2.705 5.910 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -7.812 2.147 7.481 1.00 0.00 H new ATOM 0 HG CYS A 167 -5.985 2.461 4.621 1.00 0.00 H new ATOM 996 N GLU A 168 -10.747 0.525 6.492 1.00 0.00 N ATOM 997 CA GLU A 168 -11.999 0.165 7.185 1.00 0.00 C ATOM 998 C GLU A 168 -12.238 -1.354 7.262 1.00 0.00 C ATOM 999 O GLU A 168 -12.857 -1.836 8.215 1.00 0.00 O ATOM 1000 CB GLU A 168 -13.198 0.862 6.516 1.00 0.00 C ATOM 1001 CG GLU A 168 -13.331 2.350 6.890 1.00 0.00 C ATOM 1002 CD GLU A 168 -13.818 2.616 8.334 1.00 0.00 C ATOM 1003 OE1 GLU A 168 -14.186 1.669 9.073 1.00 0.00 O ATOM 1004 OE2 GLU A 168 -13.851 3.802 8.743 1.00 0.00 O ATOM 0 H GLU A 168 -10.898 1.004 5.604 1.00 0.00 H new ATOM 0 HA GLU A 168 -11.896 0.514 8.213 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -13.101 0.775 5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -14.114 0.342 6.797 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -12.363 2.832 6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -14.024 2.824 6.195 1.00 0.00 H new ATOM 1011 N ILE A 169 -11.711 -2.127 6.302 1.00 0.00 N ATOM 1012 CA ILE A 169 -11.677 -3.600 6.368 1.00 0.00 C ATOM 1013 C ILE A 169 -10.706 -4.073 7.465 1.00 0.00 C ATOM 1014 O ILE A 169 -11.007 -5.031 8.179 1.00 0.00 O ATOM 1015 CB ILE A 169 -11.319 -4.186 4.983 1.00 0.00 C ATOM 1016 CG1 ILE A 169 -12.436 -3.861 3.964 1.00 0.00 C ATOM 1017 CG2 ILE A 169 -11.089 -5.706 5.034 1.00 0.00 C ATOM 1018 CD1 ILE A 169 -11.984 -3.991 2.507 1.00 0.00 C ATOM 0 H ILE A 169 -11.293 -1.748 5.452 1.00 0.00 H new ATOM 0 HA ILE A 169 -12.667 -3.968 6.637 1.00 0.00 H new ATOM 0 HB ILE A 169 -10.384 -3.722 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 169 -13.280 -4.528 4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 169 -12.792 -2.845 4.137 1.00 0.00 H new ATOM 0 HG21 ILE A 169 -10.840 -6.070 4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 169 -10.268 -5.927 5.716 1.00 0.00 H new ATOM 0 HG23 ILE A 169 -11.995 -6.200 5.385 1.00 0.00 H new ATOM 0 HD11 ILE A 169 -12.816 -3.749 1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 169 -11.159 -3.304 2.319 1.00 0.00 H new ATOM 0 HD13 ILE A 169 -11.655 -5.013 2.318 1.00 0.00 H new ATOM 1030 N HIS A 170 -9.588 -3.351 7.638 1.00 0.00 N ATOM 1031 CA HIS A 170 -8.556 -3.480 8.687 1.00 0.00 C ATOM 1032 C HIS A 170 -7.740 -4.781 8.641 1.00 0.00 C ATOM 1033 O HIS A 170 -6.513 -4.722 8.559 1.00 0.00 O ATOM 1034 CB HIS A 170 -9.186 -3.213 10.068 1.00 0.00 C ATOM 1035 CG HIS A 170 -8.235 -3.088 11.239 1.00 0.00 C ATOM 1036 ND1 HIS A 170 -8.621 -3.191 12.581 1.00 0.00 N ATOM 1037 CD2 HIS A 170 -6.891 -2.844 11.193 1.00 0.00 C ATOM 1038 CE1 HIS A 170 -7.502 -3.021 13.306 1.00 0.00 C ATOM 1039 NE2 HIS A 170 -6.451 -2.814 12.498 1.00 0.00 N ATOM 0 H HIS A 170 -9.360 -2.595 6.993 1.00 0.00 H new ATOM 0 HA HIS A 170 -7.805 -2.716 8.484 1.00 0.00 H new ATOM 0 HB2 HIS A 170 -9.768 -2.294 10.004 1.00 0.00 H new ATOM 0 HB3 HIS A 170 -9.886 -4.020 10.284 1.00 0.00 H new ATOM 0 HD2 HIS A 170 -6.291 -2.702 10.306 1.00 0.00 H new ATOM 0 HE1 HIS A 170 -7.456 -3.047 14.385 1.00 0.00 H new ATOM 0 HE2 HIS A 170 -5.489 -2.660 12.799 1.00 0.00 H new ATOM 1047 N PHE A 171 -8.401 -5.940 8.630 1.00 0.00 N ATOM 1048 CA PHE A 171 -7.800 -7.262 8.446 1.00 0.00 C ATOM 1049 C PHE A 171 -8.030 -7.935 7.086 1.00 0.00 C ATOM 1050 O PHE A 171 -9.169 -8.095 6.642 1.00 0.00 O ATOM 1051 CB PHE A 171 -8.010 -8.174 9.659 1.00 0.00 C ATOM 1052 CG PHE A 171 -7.092 -7.846 10.822 1.00 0.00 C ATOM 1053 CD1 PHE A 171 -7.491 -6.926 11.810 1.00 0.00 C ATOM 1054 CD2 PHE A 171 -5.821 -8.445 10.900 1.00 0.00 C ATOM 1055 CE1 PHE A 171 -6.626 -6.617 12.876 1.00 0.00 C ATOM 1056 CE2 PHE A 171 -4.960 -8.141 11.969 1.00 0.00 C ATOM 1057 CZ PHE A 171 -5.361 -7.226 12.957 1.00 0.00 C ATOM 0 H PHE A 171 -9.412 -5.985 8.754 1.00 0.00 H new ATOM 0 HA PHE A 171 -6.730 -7.061 8.398 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -9.046 -8.095 9.989 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -7.849 -9.209 9.359 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -8.462 -6.457 11.750 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -5.506 -9.140 10.136 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -6.934 -5.911 13.633 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -3.990 -8.611 12.031 1.00 0.00 H new ATOM 0 HZ PHE A 171 -4.699 -6.991 13.777 1.00 0.00 H new ATOM 1067 N HIS A 172 -6.939 -8.333 6.434 1.00 0.00 N ATOM 1068 CA HIS A 172 -6.870 -8.808 5.047 1.00 0.00 C ATOM 1069 C HIS A 172 -6.149 -10.163 4.962 1.00 0.00 C ATOM 1070 O HIS A 172 -5.540 -10.598 5.940 1.00 0.00 O ATOM 1071 CB HIS A 172 -6.162 -7.724 4.216 1.00 0.00 C ATOM 1072 CG HIS A 172 -6.981 -6.476 3.969 1.00 0.00 C ATOM 1073 ND1 HIS A 172 -7.669 -6.181 2.787 1.00 0.00 N ATOM 1074 CD2 HIS A 172 -7.146 -5.436 4.839 1.00 0.00 C ATOM 1075 CE1 HIS A 172 -8.202 -4.960 2.968 1.00 0.00 C ATOM 1076 NE2 HIS A 172 -7.893 -4.489 4.184 1.00 0.00 N ATOM 0 H HIS A 172 -6.023 -8.334 6.884 1.00 0.00 H new ATOM 0 HA HIS A 172 -7.871 -8.975 4.650 1.00 0.00 H new ATOM 0 HB2 HIS A 172 -5.240 -7.442 4.724 1.00 0.00 H new ATOM 0 HB3 HIS A 172 -5.878 -8.151 3.254 1.00 0.00 H new ATOM 0 HD2 HIS A 172 -6.763 -5.371 5.847 1.00 0.00 H new ATOM 0 HE1 HIS A 172 -8.796 -4.433 2.236 1.00 0.00 H new ATOM 0 HE2 HIS A 172 -8.167 -3.581 4.559 1.00 0.00 H new ATOM 1084 N GLU A 173 -6.186 -10.840 3.812 1.00 0.00 N ATOM 1085 CA GLU A 173 -5.499 -12.126 3.595 1.00 0.00 C ATOM 1086 C GLU A 173 -4.674 -12.141 2.298 1.00 0.00 C ATOM 1087 O GLU A 173 -5.181 -11.794 1.232 1.00 0.00 O ATOM 1088 CB GLU A 173 -6.503 -13.292 3.680 1.00 0.00 C ATOM 1089 CG GLU A 173 -5.897 -14.672 3.350 1.00 0.00 C ATOM 1090 CD GLU A 173 -5.875 -15.018 1.843 1.00 0.00 C ATOM 1091 OE1 GLU A 173 -6.905 -14.840 1.149 1.00 0.00 O ATOM 1092 OE2 GLU A 173 -4.831 -15.521 1.361 1.00 0.00 O ATOM 0 H GLU A 173 -6.698 -10.512 2.993 1.00 0.00 H new ATOM 0 HA GLU A 173 -4.773 -12.259 4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -6.923 -13.323 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -7.329 -13.097 2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -4.877 -14.708 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -6.463 -15.439 3.878 1.00 0.00 H new ATOM 1099 N ILE A 174 -3.408 -12.569 2.390 1.00 0.00 N ATOM 1100 CA ILE A 174 -2.464 -12.688 1.266 1.00 0.00 C ATOM 1101 C ILE A 174 -1.650 -13.981 1.432 1.00 0.00 C ATOM 1102 O ILE A 174 -1.056 -14.214 2.487 1.00 0.00 O ATOM 1103 CB ILE A 174 -1.552 -11.437 1.154 1.00 0.00 C ATOM 1104 CG1 ILE A 174 -2.384 -10.135 1.030 1.00 0.00 C ATOM 1105 CG2 ILE A 174 -0.585 -11.586 -0.040 1.00 0.00 C ATOM 1106 CD1 ILE A 174 -1.576 -8.836 0.940 1.00 0.00 C ATOM 0 H ILE A 174 -2.997 -12.852 3.279 1.00 0.00 H new ATOM 0 HA ILE A 174 -3.021 -12.741 0.331 1.00 0.00 H new ATOM 0 HB ILE A 174 -0.968 -11.364 2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 174 -3.014 -10.211 0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 174 -3.050 -10.068 1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 174 0.049 -10.702 -0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 174 0.038 -12.469 0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 174 -1.158 -11.693 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 174 -2.257 -7.989 0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 174 -0.966 -8.724 1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 174 -0.930 -8.870 0.063 1.00 0.00 H new ATOM 1118 N ASN A 175 -1.613 -14.827 0.394 1.00 0.00 N ATOM 1119 CA ASN A 175 -0.913 -16.124 0.385 1.00 0.00 C ATOM 1120 C ASN A 175 -1.234 -17.016 1.611 1.00 0.00 C ATOM 1121 O ASN A 175 -0.343 -17.614 2.219 1.00 0.00 O ATOM 1122 CB ASN A 175 0.595 -15.914 0.132 1.00 0.00 C ATOM 1123 CG ASN A 175 0.929 -15.356 -1.244 1.00 0.00 C ATOM 1124 OD1 ASN A 175 0.273 -15.617 -2.244 1.00 0.00 O ATOM 1125 ND2 ASN A 175 2.009 -14.623 -1.334 1.00 0.00 N ATOM 0 H ASN A 175 -2.082 -14.625 -0.489 1.00 0.00 H new ATOM 0 HA ASN A 175 -1.302 -16.705 -0.451 1.00 0.00 H new ATOM 0 HB2 ASN A 175 0.988 -15.237 0.891 1.00 0.00 H new ATOM 0 HB3 ASN A 175 1.109 -16.867 0.259 1.00 0.00 H new ATOM 0 HD21 ASN A 175 2.309 -14.266 -2.241 1.00 0.00 H new ATOM 0 HD22 ASN A 175 2.551 -14.409 -0.497 1.00 0.00 H new ATOM 1132 N ASN A 176 -2.515 -17.079 1.993 1.00 0.00 N ATOM 1133 CA ASN A 176 -3.068 -17.777 3.164 1.00 0.00 C ATOM 1134 C ASN A 176 -2.659 -17.227 4.551 1.00 0.00 C ATOM 1135 O ASN A 176 -3.128 -17.751 5.566 1.00 0.00 O ATOM 1136 CB ASN A 176 -2.901 -19.306 3.026 1.00 0.00 C ATOM 1137 CG ASN A 176 -3.577 -19.864 1.784 1.00 0.00 C ATOM 1138 OD1 ASN A 176 -4.791 -19.818 1.632 1.00 0.00 O ATOM 1139 ND2 ASN A 176 -2.826 -20.447 0.875 1.00 0.00 N ATOM 0 H ASN A 176 -3.245 -16.611 1.456 1.00 0.00 H new ATOM 0 HA ASN A 176 -4.134 -17.549 3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 176 -1.839 -19.549 2.996 1.00 0.00 H new ATOM 0 HB3 ASN A 176 -3.315 -19.793 3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 176 -3.255 -20.859 0.047 1.00 0.00 H new ATOM 0 HD22 ASN A 176 -1.814 -20.487 0.999 1.00 0.00 H new ATOM 1146 N LYS A 177 -1.840 -16.165 4.630 1.00 0.00 N ATOM 1147 CA LYS A 177 -1.574 -15.419 5.875 1.00 0.00 C ATOM 1148 C LYS A 177 -2.521 -14.237 6.032 1.00 0.00 C ATOM 1149 O LYS A 177 -2.850 -13.554 5.064 1.00 0.00 O ATOM 1150 CB LYS A 177 -0.118 -14.933 5.958 1.00 0.00 C ATOM 1151 CG LYS A 177 0.905 -16.062 6.115 1.00 0.00 C ATOM 1152 CD LYS A 177 0.806 -16.853 7.427 1.00 0.00 C ATOM 1153 CE LYS A 177 1.928 -17.898 7.465 1.00 0.00 C ATOM 1154 NZ LYS A 177 1.975 -18.614 8.766 1.00 0.00 N ATOM 0 H LYS A 177 -1.338 -15.795 3.823 1.00 0.00 H new ATOM 0 HA LYS A 177 -1.747 -16.118 6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 177 0.117 -14.365 5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -0.021 -14.248 6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 177 0.789 -16.755 5.282 1.00 0.00 H new ATOM 0 HG3 LYS A 177 1.906 -15.637 6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 177 0.890 -16.180 8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 177 -0.166 -17.341 7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 177 1.781 -18.618 6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 177 2.885 -17.409 7.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 2.747 -19.311 8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 2.141 -17.931 9.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 1.071 -19.102 8.927 1.00 0.00 H new ATOM 1168 N MET A 178 -2.915 -13.975 7.272 1.00 0.00 N ATOM 1169 CA MET A 178 -3.700 -12.797 7.642 1.00 0.00 C ATOM 1170 C MET A 178 -2.786 -11.612 7.988 1.00 0.00 C ATOM 1171 O MET A 178 -1.792 -11.776 8.697 1.00 0.00 O ATOM 1172 CB MET A 178 -4.704 -13.149 8.751 1.00 0.00 C ATOM 1173 CG MET A 178 -5.416 -11.909 9.307 1.00 0.00 C ATOM 1174 SD MET A 178 -7.075 -12.193 9.979 1.00 0.00 S ATOM 1175 CE MET A 178 -8.013 -12.260 8.424 1.00 0.00 C ATOM 0 H MET A 178 -2.697 -14.582 8.062 1.00 0.00 H new ATOM 0 HA MET A 178 -4.290 -12.473 6.785 1.00 0.00 H new ATOM 0 HB2 MET A 178 -5.445 -13.846 8.359 1.00 0.00 H new ATOM 0 HB3 MET A 178 -4.183 -13.660 9.561 1.00 0.00 H new ATOM 0 HG2 MET A 178 -4.795 -11.477 10.092 1.00 0.00 H new ATOM 0 HG3 MET A 178 -5.488 -11.167 8.512 1.00 0.00 H new ATOM 0 HE1 MET A 178 -9.067 -12.430 8.642 1.00 0.00 H new ATOM 0 HE2 MET A 178 -7.901 -11.316 7.890 1.00 0.00 H new ATOM 0 HE3 MET A 178 -7.634 -13.074 7.805 1.00 0.00 H new ATOM 1185 N VAL A 179 -3.136 -10.422 7.494 1.00 0.00 N ATOM 1186 CA VAL A 179 -2.367 -9.177 7.640 1.00 0.00 C ATOM 1187 C VAL A 179 -3.224 -8.014 8.124 1.00 0.00 C ATOM 1188 O VAL A 179 -4.417 -7.929 7.827 1.00 0.00 O ATOM 1189 CB VAL A 179 -1.611 -8.800 6.349 1.00 0.00 C ATOM 1190 CG1 VAL A 179 -0.701 -9.937 5.896 1.00 0.00 C ATOM 1191 CG2 VAL A 179 -2.522 -8.405 5.181 1.00 0.00 C ATOM 0 H VAL A 179 -3.995 -10.291 6.960 1.00 0.00 H new ATOM 0 HA VAL A 179 -1.624 -9.378 8.412 1.00 0.00 H new ATOM 0 HB VAL A 179 -1.025 -7.920 6.616 1.00 0.00 H new ATOM 0 HG11 VAL A 179 -0.180 -9.645 4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 179 0.028 -10.153 6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 179 -1.300 -10.827 5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -1.912 -8.155 4.313 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -3.180 -9.238 4.935 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -3.122 -7.540 5.464 1.00 0.00 H new ATOM 1201 N GLU A 180 -2.596 -7.107 8.866 1.00 0.00 N ATOM 1202 CA GLU A 180 -3.202 -5.844 9.299 1.00 0.00 C ATOM 1203 C GLU A 180 -2.830 -4.713 8.331 1.00 0.00 C ATOM 1204 O GLU A 180 -1.642 -4.486 8.079 1.00 0.00 O ATOM 1205 CB GLU A 180 -2.739 -5.499 10.722 1.00 0.00 C ATOM 1206 CG GLU A 180 -3.559 -4.344 11.313 1.00 0.00 C ATOM 1207 CD GLU A 180 -3.060 -3.858 12.685 1.00 0.00 C ATOM 1208 OE1 GLU A 180 -3.749 -3.009 13.295 1.00 0.00 O ATOM 1209 OE2 GLU A 180 -1.959 -4.255 13.136 1.00 0.00 O ATOM 0 H GLU A 180 -1.636 -7.227 9.191 1.00 0.00 H new ATOM 0 HA GLU A 180 -4.286 -5.958 9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -2.833 -6.378 11.360 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -1.683 -5.228 10.707 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -3.543 -3.507 10.615 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -4.598 -4.661 11.407 1.00 0.00 H new ATOM 1216 N CYS A 181 -3.829 -3.977 7.839 1.00 0.00 N ATOM 1217 CA CYS A 181 -3.653 -2.780 7.014 1.00 0.00 C ATOM 1218 C CYS A 181 -4.011 -1.513 7.800 1.00 0.00 C ATOM 1219 O CYS A 181 -5.088 -1.430 8.402 1.00 0.00 O ATOM 1220 CB CYS A 181 -4.488 -2.890 5.734 1.00 0.00 C ATOM 1221 SG CYS A 181 -3.947 -4.342 4.798 1.00 0.00 S ATOM 0 H CYS A 181 -4.809 -4.203 8.008 1.00 0.00 H new ATOM 0 HA CYS A 181 -2.602 -2.706 6.733 1.00 0.00 H new ATOM 0 HB2 CYS A 181 -5.546 -2.975 5.981 1.00 0.00 H new ATOM 0 HB3 CYS A 181 -4.373 -1.989 5.131 1.00 0.00 H new ATOM 0 HG CYS A 181 -4.011 -4.086 3.525 1.00 0.00 H new ATOM 1227 N LYS A 182 -3.115 -0.522 7.786 1.00 0.00 N ATOM 1228 CA LYS A 182 -3.216 0.728 8.564 1.00 0.00 C ATOM 1229 C LYS A 182 -2.487 1.882 7.877 1.00 0.00 C ATOM 1230 O LYS A 182 -1.550 1.640 7.122 1.00 0.00 O ATOM 1231 CB LYS A 182 -2.735 0.483 10.012 1.00 0.00 C ATOM 1232 CG LYS A 182 -1.402 -0.264 10.193 1.00 0.00 C ATOM 1233 CD LYS A 182 -1.218 -0.657 11.668 1.00 0.00 C ATOM 1234 CE LYS A 182 -0.008 -1.581 11.844 1.00 0.00 C ATOM 1235 NZ LYS A 182 -0.007 -2.242 13.171 1.00 0.00 N ATOM 0 H LYS A 182 -2.270 -0.564 7.216 1.00 0.00 H new ATOM 0 HA LYS A 182 -4.261 1.033 8.612 1.00 0.00 H new ATOM 0 HB2 LYS A 182 -2.651 1.450 10.508 1.00 0.00 H new ATOM 0 HB3 LYS A 182 -3.510 -0.077 10.535 1.00 0.00 H new ATOM 0 HG2 LYS A 182 -1.387 -1.155 9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 182 -0.574 0.368 9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 182 -1.086 0.240 12.273 1.00 0.00 H new ATOM 0 HD3 LYS A 182 -2.117 -1.156 12.030 1.00 0.00 H new ATOM 0 HE2 LYS A 182 -0.013 -2.339 11.061 1.00 0.00 H new ATOM 0 HE3 LYS A 182 0.910 -1.005 11.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 0.922 -2.679 13.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 -0.198 -1.536 13.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 -0.744 -2.976 13.194 1.00 0.00 H new ATOM 1249 N LYS A 183 -2.894 3.135 8.103 1.00 0.00 N ATOM 1250 CA LYS A 183 -2.294 4.307 7.428 1.00 0.00 C ATOM 1251 C LYS A 183 -0.793 4.445 7.711 1.00 0.00 C ATOM 1252 O LYS A 183 -0.360 4.335 8.862 1.00 0.00 O ATOM 1253 CB LYS A 183 -3.043 5.598 7.792 1.00 0.00 C ATOM 1254 CG LYS A 183 -4.448 5.646 7.171 1.00 0.00 C ATOM 1255 CD LYS A 183 -5.138 6.975 7.502 1.00 0.00 C ATOM 1256 CE LYS A 183 -6.520 7.032 6.843 1.00 0.00 C ATOM 1257 NZ LYS A 183 -7.221 8.300 7.160 1.00 0.00 N ATOM 0 H LYS A 183 -3.643 3.372 8.753 1.00 0.00 H new ATOM 0 HA LYS A 183 -2.399 4.138 6.356 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -3.123 5.676 8.876 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -2.467 6.459 7.452 1.00 0.00 H new ATOM 0 HG2 LYS A 183 -4.378 5.525 6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -5.046 4.816 7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -5.237 7.082 8.582 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -4.526 7.807 7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -6.413 6.934 5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -7.121 6.188 7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -8.034 8.416 6.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -7.554 8.276 8.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -6.567 9.099 7.035 1.00 0.00 H new ATOM 1271 N ALA A 184 -0.004 4.687 6.665 1.00 0.00 N ATOM 1272 CA ALA A 184 1.446 4.829 6.773 1.00 0.00 C ATOM 1273 C ALA A 184 1.832 6.142 7.480 1.00 0.00 C ATOM 1274 O ALA A 184 1.393 7.224 7.084 1.00 0.00 O ATOM 1275 CB ALA A 184 2.062 4.743 5.375 1.00 0.00 C ATOM 0 H ALA A 184 -0.356 4.791 5.713 1.00 0.00 H new ATOM 0 HA ALA A 184 1.840 4.018 7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 184 3.145 4.848 5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.820 3.778 4.930 1.00 0.00 H new ATOM 0 HB3 ALA A 184 1.661 5.541 4.751 1.00 0.00 H new