USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 492 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 149 SER OG : rot -70:sc= 1.29 USER MOD Set 1.2: A 152 CYS SG : rot -106:sc= 1.23 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc=0.000584 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 112 ASN : amide:sc= -0.938 K(o=-0.94,f=-1.5!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 32:sc= 0.285 USER MOD Single : A 121 GLN : amide:sc= 1.31 K(o=1.3,f=-4.7!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0544) USER MOD Single : A 130 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 131 SER OG : rot -80:sc= -0.348 USER MOD Single : A 132 ASN : amide:sc= -0.994 X(o=-0.99,f=-0.84) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 81:sc= 0.286 USER MOD Single : A 143 THR OG1 : rot 80:sc= 0.139 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 153 MET CE :methyl -129:sc= -0.508 (180deg=-3.18!) USER MOD Single : A 156 TYR OH : rot 19:sc= 0.379 USER MOD Single : A 157 MET CE :methyl 138:sc= -0.231 (180deg=-1.36!) USER MOD Single : A 161 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 100 N MET A 103 60.114 10.836 -10.724 1.00 0.00 N ATOM 101 CA MET A 103 59.852 10.450 -9.342 1.00 0.00 C ATOM 102 C MET A 103 61.154 10.128 -8.612 1.00 0.00 C ATOM 103 O MET A 103 61.357 10.551 -7.472 1.00 0.00 O ATOM 104 CB MET A 103 58.931 9.229 -9.306 1.00 0.00 C ATOM 105 CG MET A 103 57.546 9.618 -9.824 1.00 0.00 C ATOM 106 SD MET A 103 56.429 8.200 -9.685 1.00 0.00 S ATOM 107 CE MET A 103 54.994 8.961 -10.483 1.00 0.00 C ATOM 0 HA MET A 103 59.368 11.288 -8.840 1.00 0.00 H new ATOM 0 HB2 MET A 103 59.348 8.428 -9.917 1.00 0.00 H new ATOM 0 HB3 MET A 103 58.856 8.847 -8.288 1.00 0.00 H new ATOM 0 HG2 MET A 103 57.155 10.460 -9.252 1.00 0.00 H new ATOM 0 HG3 MET A 103 57.612 9.942 -10.863 1.00 0.00 H new ATOM 0 HE1 MET A 103 54.170 8.248 -10.506 1.00 0.00 H new ATOM 0 HE2 MET A 103 54.692 9.846 -9.922 1.00 0.00 H new ATOM 0 HE3 MET A 103 55.254 9.248 -11.502 1.00 0.00 H new ATOM 117 N LEU A 104 62.047 9.410 -9.288 1.00 0.00 N ATOM 118 CA LEU A 104 63.321 9.019 -8.689 1.00 0.00 C ATOM 119 C LEU A 104 64.068 10.234 -8.146 1.00 0.00 C ATOM 120 O LEU A 104 64.447 10.275 -6.976 1.00 0.00 O ATOM 121 CB LEU A 104 64.200 8.325 -9.733 1.00 0.00 C ATOM 122 CG LEU A 104 63.709 6.894 -9.966 1.00 0.00 C ATOM 123 CD1 LEU A 104 64.231 6.387 -11.313 1.00 0.00 C ATOM 124 CD2 LEU A 104 64.234 5.992 -8.847 1.00 0.00 C ATOM 0 H LEU A 104 61.914 9.088 -10.247 1.00 0.00 H new ATOM 0 HA LEU A 104 63.107 8.337 -7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 104 64.176 8.883 -10.669 1.00 0.00 H new ATOM 0 HB3 LEU A 104 65.237 8.312 -9.396 1.00 0.00 H new ATOM 0 HG LEU A 104 62.619 6.879 -9.970 1.00 0.00 H new ATOM 0 HD11 LEU A 104 63.881 5.368 -11.479 1.00 0.00 H new ATOM 0 HD12 LEU A 104 63.863 7.031 -12.112 1.00 0.00 H new ATOM 0 HD13 LEU A 104 65.321 6.400 -11.309 1.00 0.00 H new ATOM 0 HD21 LEU A 104 63.887 4.972 -9.009 1.00 0.00 H new ATOM 0 HD22 LEU A 104 65.324 6.009 -8.847 1.00 0.00 H new ATOM 0 HD23 LEU A 104 63.866 6.352 -7.886 1.00 0.00 H new ATOM 136 N ALA A 105 64.235 11.244 -8.991 1.00 0.00 N ATOM 137 CA ALA A 105 65.018 12.415 -8.617 1.00 0.00 C ATOM 138 C ALA A 105 64.387 13.161 -7.448 1.00 0.00 C ATOM 139 O ALA A 105 65.063 13.468 -6.470 1.00 0.00 O ATOM 140 CB ALA A 105 65.155 13.356 -9.815 1.00 0.00 C ATOM 0 H ALA A 105 63.843 11.276 -9.932 1.00 0.00 H new ATOM 0 HA ALA A 105 66.004 12.070 -8.305 1.00 0.00 H new ATOM 0 HB1 ALA A 105 65.741 14.229 -9.527 1.00 0.00 H new ATOM 0 HB2 ALA A 105 65.656 12.835 -10.631 1.00 0.00 H new ATOM 0 HB3 ALA A 105 64.165 13.676 -10.142 1.00 0.00 H new ATOM 146 N THR A 106 63.088 13.435 -7.534 1.00 0.00 N ATOM 147 CA THR A 106 62.415 14.223 -6.502 1.00 0.00 C ATOM 148 C THR A 106 62.652 13.647 -5.107 1.00 0.00 C ATOM 149 O THR A 106 63.130 14.349 -4.211 1.00 0.00 O ATOM 150 CB THR A 106 60.912 14.275 -6.785 1.00 0.00 C ATOM 151 OG1 THR A 106 60.699 14.708 -8.121 1.00 0.00 O ATOM 152 CG2 THR A 106 60.240 15.250 -5.816 1.00 0.00 C ATOM 0 H THR A 106 62.485 13.128 -8.297 1.00 0.00 H new ATOM 0 HA THR A 106 62.834 15.229 -6.528 1.00 0.00 H new ATOM 0 HB THR A 106 60.482 13.282 -6.651 1.00 0.00 H new ATOM 0 HG1 THR A 106 59.737 14.740 -8.305 1.00 0.00 H new ATOM 0 HG21 THR A 106 59.170 15.285 -6.019 1.00 0.00 H new ATOM 0 HG22 THR A 106 60.404 14.916 -4.792 1.00 0.00 H new ATOM 0 HG23 THR A 106 60.667 16.244 -5.946 1.00 0.00 H new ATOM 160 N ARG A 107 62.349 12.364 -4.929 1.00 0.00 N ATOM 161 CA ARG A 107 62.499 11.744 -3.617 1.00 0.00 C ATOM 162 C ARG A 107 63.961 11.741 -3.182 1.00 0.00 C ATOM 163 O ARG A 107 64.259 11.963 -2.008 1.00 0.00 O ATOM 164 CB ARG A 107 61.936 10.321 -3.620 1.00 0.00 C ATOM 165 CG ARG A 107 60.416 10.390 -3.787 1.00 0.00 C ATOM 166 CD ARG A 107 59.781 9.078 -3.324 1.00 0.00 C ATOM 167 NE ARG A 107 58.359 9.049 -3.682 1.00 0.00 N ATOM 168 CZ ARG A 107 57.393 9.582 -2.919 1.00 0.00 C ATOM 169 NH1 ARG A 107 57.650 10.174 -1.777 1.00 0.00 N ATOM 170 NH2 ARG A 107 56.155 9.507 -3.326 1.00 0.00 N ATOM 0 H ARG A 107 62.005 11.744 -5.662 1.00 0.00 H new ATOM 0 HA ARG A 107 61.930 12.335 -2.899 1.00 0.00 H new ATOM 0 HB2 ARG A 107 62.378 9.742 -4.431 1.00 0.00 H new ATOM 0 HB3 ARG A 107 62.190 9.813 -2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 107 60.015 11.222 -3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 107 60.164 10.577 -4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 107 60.296 8.234 -3.783 1.00 0.00 H new ATOM 0 HD3 ARG A 107 59.894 8.972 -2.245 1.00 0.00 H new ATOM 0 HE ARG A 107 58.090 8.600 -4.557 1.00 0.00 H new ATOM 0 HH11 ARG A 107 58.611 10.241 -1.442 1.00 0.00 H new ATOM 0 HH12 ARG A 107 56.889 10.568 -1.224 1.00 0.00 H new ATOM 0 HH21 ARG A 107 55.936 9.049 -4.211 1.00 0.00 H new ATOM 0 HH22 ARG A 107 55.407 9.906 -2.759 1.00 0.00 H new ATOM 184 N GLU A 108 64.876 11.519 -4.125 1.00 0.00 N ATOM 185 CA GLU A 108 66.298 11.535 -3.800 1.00 0.00 C ATOM 186 C GLU A 108 66.706 12.901 -3.255 1.00 0.00 C ATOM 187 O GLU A 108 67.487 12.983 -2.310 1.00 0.00 O ATOM 188 CB GLU A 108 67.134 11.188 -5.036 1.00 0.00 C ATOM 189 CG GLU A 108 68.619 11.113 -4.652 1.00 0.00 C ATOM 190 CD GLU A 108 69.481 10.605 -5.812 1.00 0.00 C ATOM 191 OE1 GLU A 108 69.000 10.559 -6.935 1.00 0.00 O ATOM 192 OE2 GLU A 108 70.627 10.275 -5.559 1.00 0.00 O ATOM 0 H GLU A 108 64.662 11.329 -5.104 1.00 0.00 H new ATOM 0 HA GLU A 108 66.483 10.784 -3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 108 66.807 10.235 -5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 108 66.986 11.941 -5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 108 68.966 12.100 -4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 108 68.740 10.453 -3.793 1.00 0.00 H new ATOM 199 N GLN A 109 66.170 13.967 -3.842 1.00 0.00 N ATOM 200 CA GLN A 109 66.522 15.315 -3.408 1.00 0.00 C ATOM 201 C GLN A 109 66.177 15.500 -1.937 1.00 0.00 C ATOM 202 O GLN A 109 66.992 15.983 -1.154 1.00 0.00 O ATOM 203 CB GLN A 109 65.774 16.353 -4.248 1.00 0.00 C ATOM 204 CG GLN A 109 66.345 16.371 -5.668 1.00 0.00 C ATOM 205 CD GLN A 109 65.545 17.326 -6.549 1.00 0.00 C ATOM 206 OE1 GLN A 109 64.390 17.635 -6.251 1.00 0.00 O ATOM 207 NE2 GLN A 109 66.094 17.818 -7.627 1.00 0.00 N ATOM 0 H GLN A 109 65.499 13.926 -4.609 1.00 0.00 H new ATOM 0 HA GLN A 109 67.595 15.454 -3.543 1.00 0.00 H new ATOM 0 HB2 GLN A 109 64.711 16.116 -4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 109 65.869 17.340 -3.794 1.00 0.00 H new ATOM 0 HG2 GLN A 109 67.390 16.678 -5.643 1.00 0.00 H new ATOM 0 HG3 GLN A 109 66.318 15.367 -6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 109 67.050 17.563 -7.874 1.00 0.00 H new ATOM 0 HE22 GLN A 109 65.567 18.458 -8.221 1.00 0.00 H new ATOM 216 N GLU A 110 64.976 15.077 -1.560 1.00 0.00 N ATOM 217 CA GLU A 110 64.532 15.224 -0.178 1.00 0.00 C ATOM 218 C GLU A 110 65.467 14.474 0.767 1.00 0.00 C ATOM 219 O GLU A 110 65.885 15.006 1.793 1.00 0.00 O ATOM 220 CB GLU A 110 63.106 14.694 -0.023 1.00 0.00 C ATOM 221 CG GLU A 110 62.148 15.543 -0.863 1.00 0.00 C ATOM 222 CD GLU A 110 60.695 15.107 -0.666 1.00 0.00 C ATOM 223 OE1 GLU A 110 60.467 13.989 -0.226 1.00 0.00 O ATOM 224 OE2 GLU A 110 59.821 15.905 -0.959 1.00 0.00 O ATOM 0 H GLU A 110 64.299 14.635 -2.182 1.00 0.00 H new ATOM 0 HA GLU A 110 64.550 16.283 0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 110 63.058 13.652 -0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 110 62.809 14.722 1.025 1.00 0.00 H new ATOM 0 HG2 GLU A 110 62.255 16.593 -0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 110 62.415 15.460 -1.917 1.00 0.00 H new ATOM 231 N ALA A 111 65.808 13.243 0.403 1.00 0.00 N ATOM 232 CA ALA A 111 66.685 12.428 1.236 1.00 0.00 C ATOM 233 C ALA A 111 68.036 13.111 1.425 1.00 0.00 C ATOM 234 O ALA A 111 68.553 13.188 2.538 1.00 0.00 O ATOM 235 CB ALA A 111 66.891 11.055 0.590 1.00 0.00 C ATOM 0 H ALA A 111 65.494 12.790 -0.455 1.00 0.00 H new ATOM 0 HA ALA A 111 66.215 12.305 2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 111 67.547 10.452 1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 111 65.929 10.554 0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 111 67.344 11.180 -0.393 1.00 0.00 H new ATOM 241 N ASN A 112 68.599 13.613 0.332 1.00 0.00 N ATOM 242 CA ASN A 112 69.910 14.249 0.381 1.00 0.00 C ATOM 243 C ASN A 112 69.905 15.432 1.343 1.00 0.00 C ATOM 244 O ASN A 112 70.842 15.611 2.121 1.00 0.00 O ATOM 245 CB ASN A 112 70.313 14.728 -1.015 1.00 0.00 C ATOM 246 CG ASN A 112 70.563 13.535 -1.933 1.00 0.00 C ATOM 247 OD1 ASN A 112 70.853 12.434 -1.463 1.00 0.00 O ATOM 248 ND2 ASN A 112 70.470 13.690 -3.225 1.00 0.00 N ATOM 0 H ASN A 112 68.171 13.592 -0.594 1.00 0.00 H new ATOM 0 HA ASN A 112 70.631 13.513 0.737 1.00 0.00 H new ATOM 0 HB2 ASN A 112 69.527 15.358 -1.432 1.00 0.00 H new ATOM 0 HB3 ASN A 112 71.212 15.341 -0.951 1.00 0.00 H new ATOM 0 HD21 ASN A 112 70.637 12.899 -3.847 1.00 0.00 H new ATOM 0 HD22 ASN A 112 70.230 14.602 -3.613 1.00 0.00 H new ATOM 255 N LYS A 113 68.848 16.236 1.285 1.00 0.00 N ATOM 256 CA LYS A 113 68.746 17.400 2.160 1.00 0.00 C ATOM 257 C LYS A 113 68.753 16.961 3.619 1.00 0.00 C ATOM 258 O LYS A 113 69.472 17.522 4.445 1.00 0.00 O ATOM 259 CB LYS A 113 67.462 18.176 1.861 1.00 0.00 C ATOM 260 CG LYS A 113 67.562 18.820 0.477 1.00 0.00 C ATOM 261 CD LYS A 113 66.419 19.822 0.295 1.00 0.00 C ATOM 262 CE LYS A 113 65.085 19.073 0.251 1.00 0.00 C ATOM 263 NZ LYS A 113 63.975 20.048 0.055 1.00 0.00 N ATOM 0 H LYS A 113 68.060 16.107 0.651 1.00 0.00 H new ATOM 0 HA LYS A 113 69.603 18.048 1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 113 66.603 17.506 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 113 67.304 18.943 2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 113 68.522 19.324 0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 113 67.514 18.054 -0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 113 66.418 20.541 1.114 1.00 0.00 H new ATOM 0 HD3 LYS A 113 66.561 20.388 -0.626 1.00 0.00 H new ATOM 0 HE2 LYS A 113 65.091 18.345 -0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 113 64.937 18.518 1.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 63.068 19.540 0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 63.966 20.727 0.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 64.116 20.559 -0.840 1.00 0.00 H new ATOM 277 N ASP A 114 67.942 15.953 3.923 1.00 0.00 N ATOM 278 CA ASP A 114 67.880 15.399 5.271 1.00 0.00 C ATOM 279 C ASP A 114 68.257 13.920 5.254 1.00 0.00 C ATOM 280 O ASP A 114 67.482 13.075 4.807 1.00 0.00 O ATOM 281 CB ASP A 114 66.467 15.560 5.836 1.00 0.00 C ATOM 282 CG ASP A 114 66.455 15.205 7.319 1.00 0.00 C ATOM 283 OD1 ASP A 114 66.741 16.081 8.119 1.00 0.00 O ATOM 284 OD2 ASP A 114 66.160 14.065 7.634 1.00 0.00 O ATOM 0 H ASP A 114 67.318 15.503 3.254 1.00 0.00 H new ATOM 0 HA ASP A 114 68.587 15.938 5.902 1.00 0.00 H new ATOM 0 HB2 ASP A 114 66.125 16.586 5.696 1.00 0.00 H new ATOM 0 HB3 ASP A 114 65.774 14.916 5.294 1.00 0.00 H new ATOM 289 N LEU A 115 69.459 13.614 5.729 1.00 0.00 N ATOM 290 CA LEU A 115 69.912 12.224 5.790 1.00 0.00 C ATOM 291 C LEU A 115 69.602 11.554 7.136 1.00 0.00 C ATOM 292 O LEU A 115 69.738 10.338 7.254 1.00 0.00 O ATOM 293 CB LEU A 115 71.419 12.147 5.525 1.00 0.00 C ATOM 294 CG LEU A 115 71.725 12.558 4.083 1.00 0.00 C ATOM 295 CD1 LEU A 115 73.240 12.687 3.902 1.00 0.00 C ATOM 296 CD2 LEU A 115 71.195 11.497 3.116 1.00 0.00 C ATOM 0 H LEU A 115 70.132 14.298 6.074 1.00 0.00 H new ATOM 0 HA LEU A 115 69.362 11.684 5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 115 71.951 12.800 6.217 1.00 0.00 H new ATOM 0 HB3 LEU A 115 71.776 11.133 5.705 1.00 0.00 H new ATOM 0 HG LEU A 115 71.243 13.513 3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 115 73.460 12.980 2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 115 73.625 13.444 4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 115 73.715 11.729 4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 115 71.416 11.796 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.674 10.541 3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 115 70.117 11.398 3.240 1.00 0.00 H new ATOM 308 N THR A 116 69.207 12.327 8.148 1.00 0.00 N ATOM 309 CA THR A 116 68.938 11.764 9.471 1.00 0.00 C ATOM 310 C THR A 116 67.469 11.366 9.664 1.00 0.00 C ATOM 311 O THR A 116 67.038 11.142 10.796 1.00 0.00 O ATOM 312 CB THR A 116 69.324 12.782 10.546 1.00 0.00 C ATOM 313 OG1 THR A 116 68.545 13.958 10.383 1.00 0.00 O ATOM 314 CG2 THR A 116 70.809 13.129 10.417 1.00 0.00 C ATOM 0 H THR A 116 69.067 13.335 8.079 1.00 0.00 H new ATOM 0 HA THR A 116 69.536 10.857 9.558 1.00 0.00 H new ATOM 0 HB THR A 116 69.139 12.356 11.532 1.00 0.00 H new ATOM 0 HG1 THR A 116 68.790 14.611 11.072 1.00 0.00 H new ATOM 0 HG21 THR A 116 71.081 13.854 11.184 1.00 0.00 H new ATOM 0 HG22 THR A 116 71.406 12.226 10.543 1.00 0.00 H new ATOM 0 HG23 THR A 116 70.999 13.554 9.432 1.00 0.00 H new ATOM 322 N SER A 117 66.697 11.274 8.581 1.00 0.00 N ATOM 323 CA SER A 117 65.297 10.868 8.679 1.00 0.00 C ATOM 324 C SER A 117 65.115 9.449 8.128 1.00 0.00 C ATOM 325 O SER A 117 64.914 9.291 6.923 1.00 0.00 O ATOM 326 CB SER A 117 64.434 11.835 7.867 1.00 0.00 C ATOM 327 OG SER A 117 63.131 11.290 7.717 1.00 0.00 O ATOM 0 H SER A 117 67.015 11.474 7.633 1.00 0.00 H new ATOM 0 HA SER A 117 64.996 10.885 9.726 1.00 0.00 H new ATOM 0 HB2 SER A 117 64.381 12.801 8.368 1.00 0.00 H new ATOM 0 HB3 SER A 117 64.883 12.008 6.889 1.00 0.00 H new ATOM 0 HG SER A 117 62.905 10.760 8.510 1.00 0.00 H new ATOM 333 N PRO A 118 65.144 8.421 8.954 1.00 0.00 N ATOM 334 CA PRO A 118 65.079 7.014 8.451 1.00 0.00 C ATOM 335 C PRO A 118 63.950 6.786 7.450 1.00 0.00 C ATOM 336 O PRO A 118 64.137 6.082 6.460 1.00 0.00 O ATOM 337 CB PRO A 118 64.866 6.167 9.706 1.00 0.00 C ATOM 338 CG PRO A 118 65.438 6.973 10.821 1.00 0.00 C ATOM 339 CD PRO A 118 65.265 8.441 10.428 1.00 0.00 C ATOM 0 HA PRO A 118 65.987 6.756 7.906 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.808 5.964 9.869 1.00 0.00 H new ATOM 0 HB3 PRO A 118 65.366 5.202 9.620 1.00 0.00 H new ATOM 0 HG2 PRO A 118 64.924 6.759 11.758 1.00 0.00 H new ATOM 0 HG3 PRO A 118 66.490 6.733 10.973 1.00 0.00 H new ATOM 0 HD2 PRO A 118 64.379 8.874 10.893 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.118 9.040 10.748 1.00 0.00 H new ATOM 347 N ASP A 119 62.789 7.387 7.694 1.00 0.00 N ATOM 348 CA ASP A 119 61.646 7.197 6.802 1.00 0.00 C ATOM 349 C ASP A 119 62.004 7.588 5.370 1.00 0.00 C ATOM 350 O ASP A 119 61.812 6.805 4.436 1.00 0.00 O ATOM 351 CB ASP A 119 60.451 8.025 7.284 1.00 0.00 C ATOM 352 CG ASP A 119 60.849 9.488 7.447 1.00 0.00 C ATOM 353 OD1 ASP A 119 60.737 10.224 6.481 1.00 0.00 O ATOM 354 OD2 ASP A 119 61.255 9.852 8.538 1.00 0.00 O ATOM 0 H ASP A 119 62.614 8.001 8.489 1.00 0.00 H new ATOM 0 HA ASP A 119 61.377 6.141 6.817 1.00 0.00 H new ATOM 0 HB2 ASP A 119 59.631 7.942 6.570 1.00 0.00 H new ATOM 0 HB3 ASP A 119 60.088 7.632 8.234 1.00 0.00 H new ATOM 359 N ALA A 120 62.555 8.786 5.202 1.00 0.00 N ATOM 360 CA ALA A 120 62.923 9.259 3.873 1.00 0.00 C ATOM 361 C ALA A 120 63.936 8.318 3.233 1.00 0.00 C ATOM 362 O ALA A 120 63.813 7.973 2.057 1.00 0.00 O ATOM 363 CB ALA A 120 63.507 10.671 3.949 1.00 0.00 C ATOM 0 H ALA A 120 62.754 9.440 5.959 1.00 0.00 H new ATOM 0 HA ALA A 120 62.022 9.281 3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 120 63.776 11.008 2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 120 62.766 11.349 4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 120 64.396 10.664 4.580 1.00 0.00 H new ATOM 369 N GLN A 121 64.920 7.875 4.015 1.00 0.00 N ATOM 370 CA GLN A 121 65.949 6.986 3.477 1.00 0.00 C ATOM 371 C GLN A 121 65.302 5.717 2.934 1.00 0.00 C ATOM 372 O GLN A 121 65.577 5.305 1.812 1.00 0.00 O ATOM 373 CB GLN A 121 67.002 6.592 4.529 1.00 0.00 C ATOM 374 CG GLN A 121 67.416 7.763 5.436 1.00 0.00 C ATOM 375 CD GLN A 121 67.744 9.028 4.642 1.00 0.00 C ATOM 376 OE1 GLN A 121 68.623 9.017 3.781 1.00 0.00 O ATOM 377 NE2 GLN A 121 67.071 10.121 4.886 1.00 0.00 N ATOM 0 H GLN A 121 65.026 8.110 5.002 1.00 0.00 H new ATOM 0 HA GLN A 121 66.456 7.535 2.683 1.00 0.00 H new ATOM 0 HB2 GLN A 121 66.607 5.785 5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 121 67.885 6.203 4.022 1.00 0.00 H new ATOM 0 HG2 GLN A 121 66.611 7.977 6.139 1.00 0.00 H new ATOM 0 HG3 GLN A 121 68.285 7.472 6.026 1.00 0.00 H new ATOM 0 HE21 GLN A 121 66.344 10.123 5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 121 67.273 10.972 4.361 1.00 0.00 H new ATOM 386 N ALA A 122 64.377 5.147 3.705 1.00 0.00 N ATOM 387 CA ALA A 122 63.743 3.885 3.337 1.00 0.00 C ATOM 388 C ALA A 122 63.130 3.981 1.947 1.00 0.00 C ATOM 389 O ALA A 122 63.356 3.123 1.096 1.00 0.00 O ATOM 390 CB ALA A 122 62.657 3.526 4.353 1.00 0.00 C ATOM 0 H ALA A 122 64.051 5.540 4.588 1.00 0.00 H new ATOM 0 HA ALA A 122 64.505 3.106 3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 122 62.190 2.583 4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 122 63.103 3.427 5.343 1.00 0.00 H new ATOM 0 HB3 ALA A 122 61.903 4.313 4.372 1.00 0.00 H new ATOM 396 N ALA A 123 62.398 5.064 1.710 1.00 0.00 N ATOM 397 CA ALA A 123 61.760 5.258 0.413 1.00 0.00 C ATOM 398 C ALA A 123 62.810 5.281 -0.695 1.00 0.00 C ATOM 399 O ALA A 123 62.647 4.648 -1.737 1.00 0.00 O ATOM 400 CB ALA A 123 60.970 6.568 0.404 1.00 0.00 C ATOM 0 H ALA A 123 62.233 5.810 2.386 1.00 0.00 H new ATOM 0 HA ALA A 123 61.076 4.428 0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 123 60.498 6.702 -0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 123 60.203 6.536 1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 123 61.645 7.401 0.597 1.00 0.00 H new ATOM 406 N PHE A 124 63.904 5.995 -0.452 1.00 0.00 N ATOM 407 CA PHE A 124 64.970 6.104 -1.444 1.00 0.00 C ATOM 408 C PHE A 124 65.539 4.728 -1.784 1.00 0.00 C ATOM 409 O PHE A 124 65.730 4.395 -2.953 1.00 0.00 O ATOM 410 CB PHE A 124 66.085 7.006 -0.912 1.00 0.00 C ATOM 411 CG PHE A 124 67.184 7.271 -1.914 1.00 0.00 C ATOM 412 CD1 PHE A 124 66.867 7.561 -3.248 1.00 0.00 C ATOM 413 CD2 PHE A 124 68.522 7.230 -1.507 1.00 0.00 C ATOM 414 CE1 PHE A 124 67.889 7.808 -4.173 1.00 0.00 C ATOM 415 CE2 PHE A 124 69.544 7.477 -2.433 1.00 0.00 C ATOM 416 CZ PHE A 124 69.227 7.766 -3.766 1.00 0.00 C ATOM 0 H PHE A 124 64.076 6.503 0.415 1.00 0.00 H new ATOM 0 HA PHE A 124 64.551 6.539 -2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 124 65.653 7.957 -0.600 1.00 0.00 H new ATOM 0 HB3 PHE A 124 66.519 6.547 -0.024 1.00 0.00 H new ATOM 0 HD1 PHE A 124 65.834 7.594 -3.563 1.00 0.00 H new ATOM 0 HD2 PHE A 124 68.767 7.008 -0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 124 67.644 8.031 -5.201 1.00 0.00 H new ATOM 0 HE2 PHE A 124 70.577 7.444 -2.119 1.00 0.00 H new ATOM 0 HZ PHE A 124 70.015 7.956 -4.480 1.00 0.00 H new ATOM 426 N TYR A 125 65.784 3.921 -0.758 1.00 0.00 N ATOM 427 CA TYR A 125 66.351 2.589 -0.958 1.00 0.00 C ATOM 428 C TYR A 125 65.456 1.772 -1.889 1.00 0.00 C ATOM 429 O TYR A 125 65.923 1.148 -2.841 1.00 0.00 O ATOM 430 CB TYR A 125 66.476 1.857 0.383 1.00 0.00 C ATOM 431 CG TYR A 125 67.585 2.356 1.286 1.00 0.00 C ATOM 432 CD1 TYR A 125 68.919 2.029 1.022 1.00 0.00 C ATOM 433 CD2 TYR A 125 67.272 3.134 2.406 1.00 0.00 C ATOM 434 CE1 TYR A 125 69.936 2.484 1.877 1.00 0.00 C ATOM 435 CE2 TYR A 125 68.282 3.591 3.258 1.00 0.00 C ATOM 436 CZ TYR A 125 69.616 3.266 2.997 1.00 0.00 C ATOM 437 OH TYR A 125 70.612 3.717 3.844 1.00 0.00 O ATOM 0 H TYR A 125 65.601 4.162 0.216 1.00 0.00 H new ATOM 0 HA TYR A 125 67.339 2.701 -1.404 1.00 0.00 H new ATOM 0 HB2 TYR A 125 65.529 1.942 0.916 1.00 0.00 H new ATOM 0 HB3 TYR A 125 66.637 0.797 0.187 1.00 0.00 H new ATOM 0 HD1 TYR A 125 69.167 1.427 0.161 1.00 0.00 H new ATOM 0 HD2 TYR A 125 66.242 3.384 2.614 1.00 0.00 H new ATOM 0 HE1 TYR A 125 70.966 2.232 1.672 1.00 0.00 H new ATOM 0 HE2 TYR A 125 68.031 4.195 4.118 1.00 0.00 H new ATOM 0 HH TYR A 125 70.213 4.245 4.567 1.00 0.00 H new ATOM 447 N LYS A 126 64.156 1.811 -1.620 1.00 0.00 N ATOM 448 CA LYS A 126 63.197 1.046 -2.406 1.00 0.00 C ATOM 449 C LYS A 126 63.263 1.444 -3.873 1.00 0.00 C ATOM 450 O LYS A 126 63.302 0.591 -4.759 1.00 0.00 O ATOM 451 CB LYS A 126 61.784 1.292 -1.868 1.00 0.00 C ATOM 452 CG LYS A 126 61.663 0.744 -0.439 1.00 0.00 C ATOM 453 CD LYS A 126 60.226 0.302 -0.163 1.00 0.00 C ATOM 454 CE LYS A 126 60.113 -0.206 1.275 1.00 0.00 C ATOM 455 NZ LYS A 126 60.085 0.953 2.211 1.00 0.00 N ATOM 0 H LYS A 126 63.744 2.362 -0.867 1.00 0.00 H new ATOM 0 HA LYS A 126 63.444 -0.013 -2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 126 61.563 2.359 -1.877 1.00 0.00 H new ATOM 0 HB3 LYS A 126 61.051 0.810 -2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 126 62.342 -0.098 -0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 126 61.960 1.509 0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 126 59.542 1.136 -0.320 1.00 0.00 H new ATOM 0 HD3 LYS A 126 59.936 -0.484 -0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 126 59.208 -0.803 1.391 1.00 0.00 H new ATOM 0 HE3 LYS A 126 60.956 -0.856 1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 59.839 0.622 3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 61.021 1.405 2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 59.375 1.641 1.890 1.00 0.00 H new ATOM 469 N LEU A 127 63.294 2.747 -4.124 1.00 0.00 N ATOM 470 CA LEU A 127 63.329 3.246 -5.493 1.00 0.00 C ATOM 471 C LEU A 127 64.545 2.697 -6.229 1.00 0.00 C ATOM 472 O LEU A 127 64.439 2.235 -7.365 1.00 0.00 O ATOM 473 CB LEU A 127 63.381 4.776 -5.498 1.00 0.00 C ATOM 474 CG LEU A 127 61.966 5.354 -5.409 1.00 0.00 C ATOM 475 CD1 LEU A 127 62.051 6.856 -5.132 1.00 0.00 C ATOM 476 CD2 LEU A 127 61.233 5.125 -6.734 1.00 0.00 C ATOM 0 H LEU A 127 63.296 3.471 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 127 62.424 2.913 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 127 63.979 5.129 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 127 63.869 5.128 -6.407 1.00 0.00 H new ATOM 0 HG LEU A 127 61.422 4.860 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 127 61.045 7.272 -5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 127 62.574 7.023 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 127 62.595 7.345 -5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 127 60.226 5.537 -6.669 1.00 0.00 H new ATOM 0 HD22 LEU A 127 61.776 5.619 -7.540 1.00 0.00 H new ATOM 0 HD23 LEU A 127 61.175 4.056 -6.938 1.00 0.00 H new ATOM 488 N LEU A 128 65.696 2.724 -5.566 1.00 0.00 N ATOM 489 CA LEU A 128 66.935 2.300 -6.207 1.00 0.00 C ATOM 490 C LEU A 128 66.850 0.843 -6.646 1.00 0.00 C ATOM 491 O LEU A 128 67.323 0.495 -7.727 1.00 0.00 O ATOM 492 CB LEU A 128 68.120 2.490 -5.257 1.00 0.00 C ATOM 493 CG LEU A 128 68.590 3.945 -5.303 1.00 0.00 C ATOM 494 CD1 LEU A 128 69.489 4.231 -4.098 1.00 0.00 C ATOM 495 CD2 LEU A 128 69.378 4.187 -6.593 1.00 0.00 C ATOM 0 H LEU A 128 65.797 3.031 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 128 67.085 2.919 -7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 128 67.830 2.223 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 128 68.936 1.825 -5.540 1.00 0.00 H new ATOM 0 HG LEU A 128 67.724 4.606 -5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 128 69.823 5.268 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 128 68.930 4.060 -3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 128 70.355 3.569 -4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 128 69.713 5.224 -6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 128 70.244 3.525 -6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 128 68.739 3.985 -7.453 1.00 0.00 H new ATOM 507 N LEU A 129 66.258 -0.006 -5.811 1.00 0.00 N ATOM 508 CA LEU A 129 66.131 -1.419 -6.160 1.00 0.00 C ATOM 509 C LEU A 129 65.232 -1.594 -7.380 1.00 0.00 C ATOM 510 O LEU A 129 65.592 -2.284 -8.334 1.00 0.00 O ATOM 511 CB LEU A 129 65.558 -2.213 -4.983 1.00 0.00 C ATOM 512 CG LEU A 129 66.686 -2.637 -4.038 1.00 0.00 C ATOM 513 CD1 LEU A 129 66.086 -3.148 -2.729 1.00 0.00 C ATOM 514 CD2 LEU A 129 67.505 -3.752 -4.691 1.00 0.00 C ATOM 0 H LEU A 129 65.865 0.251 -4.905 1.00 0.00 H new ATOM 0 HA LEU A 129 67.126 -1.798 -6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 129 64.830 -1.606 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 129 65.030 -3.093 -5.350 1.00 0.00 H new ATOM 0 HG LEU A 129 67.331 -1.782 -3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 129 66.887 -3.450 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 129 65.500 -2.356 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 129 65.442 -4.003 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 129 68.308 -4.055 -4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 129 66.860 -4.607 -4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 129 67.931 -3.390 -5.627 1.00 0.00 H new ATOM 526 N GLN A 130 64.092 -0.913 -7.379 1.00 0.00 N ATOM 527 CA GLN A 130 63.135 -1.047 -8.473 1.00 0.00 C ATOM 528 C GLN A 130 63.765 -0.649 -9.805 1.00 0.00 C ATOM 529 O GLN A 130 63.520 -1.285 -10.830 1.00 0.00 O ATOM 530 CB GLN A 130 61.912 -0.168 -8.204 1.00 0.00 C ATOM 531 CG GLN A 130 61.175 -0.684 -6.965 1.00 0.00 C ATOM 532 CD GLN A 130 59.995 0.225 -6.633 1.00 0.00 C ATOM 533 OE1 GLN A 130 59.974 1.392 -7.025 1.00 0.00 O ATOM 534 NE2 GLN A 130 59.004 -0.244 -5.926 1.00 0.00 N ATOM 0 H GLN A 130 63.809 -0.268 -6.641 1.00 0.00 H new ATOM 0 HA GLN A 130 62.832 -2.092 -8.532 1.00 0.00 H new ATOM 0 HB2 GLN A 130 62.221 0.866 -8.052 1.00 0.00 H new ATOM 0 HB3 GLN A 130 61.246 -0.179 -9.067 1.00 0.00 H new ATOM 0 HG2 GLN A 130 60.822 -1.700 -7.141 1.00 0.00 H new ATOM 0 HG3 GLN A 130 61.860 -0.727 -6.118 1.00 0.00 H new ATOM 0 HE21 GLN A 130 59.022 -1.211 -5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 130 58.211 0.356 -5.698 1.00 0.00 H new ATOM 543 N SER A 131 64.577 0.403 -9.783 1.00 0.00 N ATOM 544 CA SER A 131 65.179 0.920 -11.011 1.00 0.00 C ATOM 545 C SER A 131 66.484 0.209 -11.389 1.00 0.00 C ATOM 546 O SER A 131 67.248 0.729 -12.204 1.00 0.00 O ATOM 547 CB SER A 131 65.446 2.416 -10.854 1.00 0.00 C ATOM 548 OG SER A 131 64.207 3.111 -10.824 1.00 0.00 O ATOM 0 H SER A 131 64.833 0.912 -8.937 1.00 0.00 H new ATOM 0 HA SER A 131 64.469 0.733 -11.816 1.00 0.00 H new ATOM 0 HB2 SER A 131 66.004 2.604 -9.937 1.00 0.00 H new ATOM 0 HB3 SER A 131 66.059 2.777 -11.680 1.00 0.00 H new ATOM 0 HG SER A 131 63.873 3.223 -11.738 1.00 0.00 H new ATOM 554 N ASN A 132 66.751 -0.965 -10.813 1.00 0.00 N ATOM 555 CA ASN A 132 67.937 -1.733 -11.178 1.00 0.00 C ATOM 556 C ASN A 132 69.212 -0.956 -10.847 1.00 0.00 C ATOM 557 O ASN A 132 70.109 -0.806 -11.679 1.00 0.00 O ATOM 558 CB ASN A 132 67.892 -2.082 -12.670 1.00 0.00 C ATOM 559 CG ASN A 132 69.015 -3.055 -13.012 1.00 0.00 C ATOM 560 OD1 ASN A 132 70.013 -2.663 -13.619 1.00 0.00 O ATOM 561 ND2 ASN A 132 68.914 -4.306 -12.658 1.00 0.00 N ATOM 0 H ASN A 132 66.166 -1.399 -10.099 1.00 0.00 H new ATOM 0 HA ASN A 132 67.947 -2.656 -10.598 1.00 0.00 H new ATOM 0 HB2 ASN A 132 66.928 -2.525 -12.919 1.00 0.00 H new ATOM 0 HB3 ASN A 132 67.991 -1.175 -13.267 1.00 0.00 H new ATOM 0 HD21 ASN A 132 69.662 -4.962 -12.884 1.00 0.00 H new ATOM 0 HD22 ASN A 132 68.087 -4.629 -12.156 1.00 0.00 H new ATOM 568 N TYR A 133 69.291 -0.465 -9.612 1.00 0.00 N ATOM 569 CA TYR A 133 70.478 0.255 -9.152 1.00 0.00 C ATOM 570 C TYR A 133 71.050 -0.376 -7.869 1.00 0.00 C ATOM 571 O TYR A 133 71.410 0.338 -6.925 1.00 0.00 O ATOM 572 CB TYR A 133 70.101 1.718 -8.885 1.00 0.00 C ATOM 573 CG TYR A 133 69.971 2.568 -10.127 1.00 0.00 C ATOM 574 CD1 TYR A 133 71.100 3.198 -10.661 1.00 0.00 C ATOM 575 CD2 TYR A 133 68.721 2.741 -10.731 1.00 0.00 C ATOM 576 CE1 TYR A 133 70.981 3.998 -11.804 1.00 0.00 C ATOM 577 CE2 TYR A 133 68.600 3.543 -11.873 1.00 0.00 C ATOM 578 CZ TYR A 133 69.731 4.170 -12.410 1.00 0.00 C ATOM 579 OH TYR A 133 69.613 4.960 -13.535 1.00 0.00 O ATOM 0 H TYR A 133 68.552 -0.551 -8.915 1.00 0.00 H new ATOM 0 HA TYR A 133 71.244 0.197 -9.925 1.00 0.00 H new ATOM 0 HB2 TYR A 133 69.156 1.743 -8.342 1.00 0.00 H new ATOM 0 HB3 TYR A 133 70.855 2.161 -8.234 1.00 0.00 H new ATOM 0 HD1 TYR A 133 72.064 3.067 -10.192 1.00 0.00 H new ATOM 0 HD2 TYR A 133 67.849 2.256 -10.317 1.00 0.00 H new ATOM 0 HE1 TYR A 133 71.853 4.482 -12.218 1.00 0.00 H new ATOM 0 HE2 TYR A 133 67.635 3.678 -12.339 1.00 0.00 H new ATOM 0 HH TYR A 133 68.678 4.972 -13.830 1.00 0.00 H new ATOM 589 N PRO A 134 71.243 -1.680 -7.828 1.00 0.00 N ATOM 590 CA PRO A 134 71.680 -2.361 -6.568 1.00 0.00 C ATOM 591 C PRO A 134 72.991 -1.781 -6.040 1.00 0.00 C ATOM 592 O PRO A 134 73.150 -1.571 -4.837 1.00 0.00 O ATOM 593 CB PRO A 134 71.835 -3.836 -6.951 1.00 0.00 C ATOM 594 CG PRO A 134 71.944 -3.856 -8.437 1.00 0.00 C ATOM 595 CD PRO A 134 71.157 -2.647 -8.940 1.00 0.00 C ATOM 0 HA PRO A 134 70.959 -2.222 -5.762 1.00 0.00 H new ATOM 0 HB2 PRO A 134 72.721 -4.270 -6.487 1.00 0.00 H new ATOM 0 HB3 PRO A 134 70.979 -4.421 -6.613 1.00 0.00 H new ATOM 0 HG2 PRO A 134 72.986 -3.800 -8.751 1.00 0.00 H new ATOM 0 HG3 PRO A 134 71.538 -4.782 -8.844 1.00 0.00 H new ATOM 0 HD2 PRO A 134 71.588 -2.242 -9.856 1.00 0.00 H new ATOM 0 HD3 PRO A 134 70.123 -2.908 -9.163 1.00 0.00 H new ATOM 603 N GLN A 135 73.921 -1.501 -6.946 1.00 0.00 N ATOM 604 CA GLN A 135 75.216 -0.952 -6.553 1.00 0.00 C ATOM 605 C GLN A 135 75.044 0.329 -5.736 1.00 0.00 C ATOM 606 O GLN A 135 75.765 0.556 -4.765 1.00 0.00 O ATOM 607 CB GLN A 135 76.057 -0.655 -7.796 1.00 0.00 C ATOM 608 CG GLN A 135 77.472 -0.248 -7.372 1.00 0.00 C ATOM 609 CD GLN A 135 78.354 0.008 -8.594 1.00 0.00 C ATOM 610 OE1 GLN A 135 77.978 -0.306 -9.725 1.00 0.00 O ATOM 611 NE2 GLN A 135 79.522 0.568 -8.430 1.00 0.00 N ATOM 0 H GLN A 135 73.806 -1.643 -7.949 1.00 0.00 H new ATOM 0 HA GLN A 135 75.724 -1.693 -5.935 1.00 0.00 H new ATOM 0 HB2 GLN A 135 76.098 -1.534 -8.439 1.00 0.00 H new ATOM 0 HB3 GLN A 135 75.596 0.144 -8.377 1.00 0.00 H new ATOM 0 HG2 GLN A 135 77.427 0.650 -6.756 1.00 0.00 H new ATOM 0 HG3 GLN A 135 77.913 -1.034 -6.758 1.00 0.00 H new ATOM 0 HE21 GLN A 135 79.836 0.829 -7.495 1.00 0.00 H new ATOM 0 HE22 GLN A 135 80.121 0.745 -9.237 1.00 0.00 H new ATOM 620 N TYR A 136 74.063 1.146 -6.108 1.00 0.00 N ATOM 621 CA TYR A 136 73.830 2.407 -5.413 1.00 0.00 C ATOM 622 C TYR A 136 73.323 2.140 -4.000 1.00 0.00 C ATOM 623 O TYR A 136 73.772 2.759 -3.038 1.00 0.00 O ATOM 624 CB TYR A 136 72.800 3.241 -6.176 1.00 0.00 C ATOM 625 CG TYR A 136 73.378 3.982 -7.359 1.00 0.00 C ATOM 626 CD1 TYR A 136 74.254 3.331 -8.236 1.00 0.00 C ATOM 627 CD2 TYR A 136 73.035 5.322 -7.577 1.00 0.00 C ATOM 628 CE1 TYR A 136 74.788 4.021 -9.330 1.00 0.00 C ATOM 629 CE2 TYR A 136 73.569 6.011 -8.673 1.00 0.00 C ATOM 630 CZ TYR A 136 74.445 5.360 -9.549 1.00 0.00 C ATOM 631 OH TYR A 136 74.971 6.041 -10.629 1.00 0.00 O ATOM 0 H TYR A 136 73.422 0.960 -6.879 1.00 0.00 H new ATOM 0 HA TYR A 136 74.770 2.956 -5.359 1.00 0.00 H new ATOM 0 HB2 TYR A 136 72.000 2.587 -6.523 1.00 0.00 H new ATOM 0 HB3 TYR A 136 72.349 3.960 -5.492 1.00 0.00 H new ATOM 0 HD1 TYR A 136 74.517 2.297 -8.068 1.00 0.00 H new ATOM 0 HD2 TYR A 136 72.359 5.824 -6.900 1.00 0.00 H new ATOM 0 HE1 TYR A 136 75.465 3.520 -10.006 1.00 0.00 H new ATOM 0 HE2 TYR A 136 73.305 7.044 -8.842 1.00 0.00 H new ATOM 0 HH TYR A 136 74.630 6.960 -10.634 1.00 0.00 H new ATOM 641 N VAL A 137 72.407 1.183 -3.881 1.00 0.00 N ATOM 642 CA VAL A 137 71.842 0.821 -2.582 1.00 0.00 C ATOM 643 C VAL A 137 72.959 0.454 -1.607 1.00 0.00 C ATOM 644 O VAL A 137 72.948 0.869 -0.450 1.00 0.00 O ATOM 645 CB VAL A 137 70.878 -0.362 -2.748 1.00 0.00 C ATOM 646 CG1 VAL A 137 70.243 -0.742 -1.404 1.00 0.00 C ATOM 647 CG2 VAL A 137 69.762 0.025 -3.722 1.00 0.00 C ATOM 0 H VAL A 137 72.040 0.644 -4.666 1.00 0.00 H new ATOM 0 HA VAL A 137 71.295 1.674 -2.182 1.00 0.00 H new ATOM 0 HB VAL A 137 71.443 -1.213 -3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 137 69.564 -1.583 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 137 71.025 -1.023 -0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 137 69.688 0.110 -1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 137 69.076 -0.814 -3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 137 69.219 0.885 -3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 137 70.195 0.280 -4.689 1.00 0.00 H new ATOM 657 N VAL A 138 73.930 -0.306 -2.092 1.00 0.00 N ATOM 658 CA VAL A 138 75.023 -0.763 -1.240 1.00 0.00 C ATOM 659 C VAL A 138 75.867 0.419 -0.770 1.00 0.00 C ATOM 660 O VAL A 138 76.085 0.600 0.427 1.00 0.00 O ATOM 661 CB VAL A 138 75.900 -1.770 -1.998 1.00 0.00 C ATOM 662 CG1 VAL A 138 77.001 -2.315 -1.084 1.00 0.00 C ATOM 663 CG2 VAL A 138 75.040 -2.940 -2.486 1.00 0.00 C ATOM 0 H VAL A 138 73.986 -0.618 -3.062 1.00 0.00 H new ATOM 0 HA VAL A 138 74.597 -1.254 -0.365 1.00 0.00 H new ATOM 0 HB VAL A 138 76.355 -1.260 -2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 138 77.613 -3.027 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 138 77.626 -1.492 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 138 76.549 -2.814 -0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 138 75.666 -3.652 -3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 138 74.579 -3.435 -1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 138 74.262 -2.567 -3.152 1.00 0.00 H new ATOM 673 N SER A 139 76.314 1.242 -1.712 1.00 0.00 N ATOM 674 CA SER A 139 77.194 2.359 -1.381 1.00 0.00 C ATOM 675 C SER A 139 76.574 3.253 -0.308 1.00 0.00 C ATOM 676 O SER A 139 77.267 3.743 0.583 1.00 0.00 O ATOM 677 CB SER A 139 77.475 3.189 -2.634 1.00 0.00 C ATOM 678 OG SER A 139 77.995 2.342 -3.648 1.00 0.00 O ATOM 0 H SER A 139 76.085 1.159 -2.702 1.00 0.00 H new ATOM 0 HA SER A 139 78.126 1.949 -0.992 1.00 0.00 H new ATOM 0 HB2 SER A 139 76.560 3.670 -2.979 1.00 0.00 H new ATOM 0 HB3 SER A 139 78.186 3.983 -2.407 1.00 0.00 H new ATOM 0 HG SER A 139 77.259 1.866 -4.086 1.00 0.00 H new ATOM 684 N ARG A 140 75.265 3.456 -0.404 1.00 0.00 N ATOM 685 CA ARG A 140 74.557 4.310 0.542 1.00 0.00 C ATOM 686 C ARG A 140 74.437 3.649 1.911 1.00 0.00 C ATOM 687 O ARG A 140 74.847 4.225 2.917 1.00 0.00 O ATOM 688 CB ARG A 140 73.162 4.632 0.003 1.00 0.00 C ATOM 689 CG ARG A 140 72.517 5.724 0.856 1.00 0.00 C ATOM 690 CD ARG A 140 71.099 5.995 0.350 1.00 0.00 C ATOM 691 NE ARG A 140 70.506 7.123 1.075 1.00 0.00 N ATOM 692 CZ ARG A 140 70.658 8.404 0.704 1.00 0.00 C ATOM 693 NH1 ARG A 140 71.360 8.749 -0.348 1.00 0.00 N ATOM 694 NH2 ARG A 140 70.086 9.337 1.415 1.00 0.00 N ATOM 0 H ARG A 140 74.674 3.042 -1.125 1.00 0.00 H new ATOM 0 HA ARG A 140 75.131 5.229 0.660 1.00 0.00 H new ATOM 0 HB2 ARG A 140 73.230 4.960 -1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 140 72.542 3.736 0.014 1.00 0.00 H new ATOM 0 HG2 ARG A 140 72.489 5.415 1.901 1.00 0.00 H new ATOM 0 HG3 ARG A 140 73.112 6.636 0.809 1.00 0.00 H new ATOM 0 HD2 ARG A 140 71.122 6.212 -0.718 1.00 0.00 H new ATOM 0 HD3 ARG A 140 70.483 5.106 0.481 1.00 0.00 H new ATOM 0 HE ARG A 140 69.948 6.924 1.905 1.00 0.00 H new ATOM 0 HH11 ARG A 140 71.813 8.033 -0.916 1.00 0.00 H new ATOM 0 HH12 ARG A 140 71.453 9.733 -0.599 1.00 0.00 H new ATOM 0 HH21 ARG A 140 69.535 9.087 2.236 1.00 0.00 H new ATOM 0 HH22 ARG A 140 70.190 10.316 1.149 1.00 0.00 H new ATOM 708 N PHE A 141 73.914 2.429 1.947 1.00 0.00 N ATOM 709 CA PHE A 141 73.676 1.750 3.217 1.00 0.00 C ATOM 710 C PHE A 141 74.957 1.636 4.045 1.00 0.00 C ATOM 711 O PHE A 141 74.911 1.670 5.275 1.00 0.00 O ATOM 712 CB PHE A 141 73.107 0.355 2.957 1.00 0.00 C ATOM 713 CG PHE A 141 72.749 -0.394 4.218 1.00 0.00 C ATOM 714 CD1 PHE A 141 71.511 -0.171 4.835 1.00 0.00 C ATOM 715 CD2 PHE A 141 73.652 -1.309 4.772 1.00 0.00 C ATOM 716 CE1 PHE A 141 71.177 -0.863 6.004 1.00 0.00 C ATOM 717 CE2 PHE A 141 73.317 -2.002 5.941 1.00 0.00 C ATOM 718 CZ PHE A 141 72.081 -1.779 6.558 1.00 0.00 C ATOM 0 H PHE A 141 73.649 1.893 1.121 1.00 0.00 H new ATOM 0 HA PHE A 141 72.960 2.344 3.785 1.00 0.00 H new ATOM 0 HB2 PHE A 141 72.218 0.444 2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 141 73.836 -0.227 2.393 1.00 0.00 H new ATOM 0 HD1 PHE A 141 70.814 0.535 4.408 1.00 0.00 H new ATOM 0 HD2 PHE A 141 74.607 -1.480 4.298 1.00 0.00 H new ATOM 0 HE1 PHE A 141 70.223 -0.691 6.479 1.00 0.00 H new ATOM 0 HE2 PHE A 141 74.013 -2.709 6.367 1.00 0.00 H new ATOM 0 HZ PHE A 141 71.824 -2.313 7.461 1.00 0.00 H new ATOM 728 N GLU A 142 76.096 1.500 3.373 1.00 0.00 N ATOM 729 CA GLU A 142 77.371 1.318 4.063 1.00 0.00 C ATOM 730 C GLU A 142 77.930 2.614 4.661 1.00 0.00 C ATOM 731 O GLU A 142 78.871 2.557 5.452 1.00 0.00 O ATOM 732 CB GLU A 142 78.398 0.731 3.092 1.00 0.00 C ATOM 733 CG GLU A 142 77.963 -0.679 2.677 1.00 0.00 C ATOM 734 CD GLU A 142 79.005 -1.337 1.770 1.00 0.00 C ATOM 735 OE1 GLU A 142 79.802 -0.629 1.173 1.00 0.00 O ATOM 736 OE2 GLU A 142 78.990 -2.554 1.685 1.00 0.00 O ATOM 0 H GLU A 142 76.164 1.512 2.355 1.00 0.00 H new ATOM 0 HA GLU A 142 77.182 0.638 4.894 1.00 0.00 H new ATOM 0 HB2 GLU A 142 78.488 1.369 2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 142 79.381 0.696 3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 142 77.812 -1.292 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 142 77.006 -0.629 2.158 1.00 0.00 H new ATOM 743 N THR A 143 77.374 3.772 4.297 1.00 0.00 N ATOM 744 CA THR A 143 77.856 5.042 4.836 1.00 0.00 C ATOM 745 C THR A 143 77.207 5.318 6.200 1.00 0.00 C ATOM 746 O THR A 143 76.028 5.672 6.233 1.00 0.00 O ATOM 747 CB THR A 143 77.485 6.173 3.874 1.00 0.00 C ATOM 748 OG1 THR A 143 77.762 5.766 2.541 1.00 0.00 O ATOM 749 CG2 THR A 143 78.304 7.421 4.210 1.00 0.00 C ATOM 0 H THR A 143 76.599 3.855 3.639 1.00 0.00 H new ATOM 0 HA THR A 143 78.938 4.988 4.955 1.00 0.00 H new ATOM 0 HB THR A 143 76.424 6.402 3.972 1.00 0.00 H new ATOM 0 HG1 THR A 143 77.041 5.186 2.220 1.00 0.00 H new ATOM 0 HG21 THR A 143 78.039 8.226 3.524 1.00 0.00 H new ATOM 0 HG22 THR A 143 78.091 7.731 5.233 1.00 0.00 H new ATOM 0 HG23 THR A 143 79.366 7.196 4.112 1.00 0.00 H new ATOM 757 N PRO A 144 77.914 5.216 7.311 1.00 0.00 N ATOM 758 CA PRO A 144 77.269 5.361 8.659 1.00 0.00 C ATOM 759 C PRO A 144 76.550 6.700 8.851 1.00 0.00 C ATOM 760 O PRO A 144 75.733 6.842 9.761 1.00 0.00 O ATOM 761 CB PRO A 144 78.422 5.220 9.661 1.00 0.00 C ATOM 762 CG PRO A 144 79.528 4.564 8.909 1.00 0.00 C ATOM 763 CD PRO A 144 79.367 5.007 7.458 1.00 0.00 C ATOM 0 HA PRO A 144 76.490 4.610 8.790 1.00 0.00 H new ATOM 0 HB2 PRO A 144 78.731 6.193 10.043 1.00 0.00 H new ATOM 0 HB3 PRO A 144 78.123 4.621 10.521 1.00 0.00 H new ATOM 0 HG2 PRO A 144 80.499 4.863 9.303 1.00 0.00 H new ATOM 0 HG3 PRO A 144 79.469 3.479 8.995 1.00 0.00 H new ATOM 0 HD2 PRO A 144 79.925 5.921 7.255 1.00 0.00 H new ATOM 0 HD3 PRO A 144 79.734 4.249 6.766 1.00 0.00 H new ATOM 771 N GLY A 145 76.851 7.678 8.001 1.00 0.00 N ATOM 772 CA GLY A 145 76.263 9.010 8.137 1.00 0.00 C ATOM 773 C GLY A 145 74.769 9.040 7.805 1.00 0.00 C ATOM 774 O GLY A 145 74.057 9.940 8.248 1.00 0.00 O ATOM 0 H GLY A 145 77.494 7.576 7.216 1.00 0.00 H new ATOM 0 HA2 GLY A 145 76.410 9.364 9.157 1.00 0.00 H new ATOM 0 HA3 GLY A 145 76.790 9.703 7.480 1.00 0.00 H new ATOM 778 N ILE A 146 74.289 8.067 7.033 1.00 0.00 N ATOM 779 CA ILE A 146 72.895 8.061 6.600 1.00 0.00 C ATOM 780 C ILE A 146 72.075 7.106 7.464 1.00 0.00 C ATOM 781 O ILE A 146 72.537 6.026 7.832 1.00 0.00 O ATOM 782 CB ILE A 146 72.807 7.659 5.120 1.00 0.00 C ATOM 783 CG1 ILE A 146 73.646 8.626 4.278 1.00 0.00 C ATOM 784 CG2 ILE A 146 71.351 7.722 4.648 1.00 0.00 C ATOM 785 CD1 ILE A 146 73.767 8.100 2.847 1.00 0.00 C ATOM 0 H ILE A 146 74.841 7.278 6.697 1.00 0.00 H new ATOM 0 HA ILE A 146 72.485 9.065 6.715 1.00 0.00 H new ATOM 0 HB ILE A 146 73.183 6.642 5.005 1.00 0.00 H new ATOM 0 HG12 ILE A 146 73.184 9.613 4.274 1.00 0.00 H new ATOM 0 HG13 ILE A 146 74.637 8.739 4.718 1.00 0.00 H new ATOM 0 HG21 ILE A 146 71.296 7.436 3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 146 70.746 7.038 5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 146 70.973 8.738 4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 146 74.365 8.792 2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 146 74.249 7.122 2.858 1.00 0.00 H new ATOM 0 HD13 ILE A 146 72.774 8.010 2.407 1.00 0.00 H new ATOM 797 N ALA A 147 70.852 7.521 7.779 1.00 0.00 N ATOM 798 CA ALA A 147 69.979 6.745 8.651 1.00 0.00 C ATOM 799 C ALA A 147 69.660 5.376 8.058 1.00 0.00 C ATOM 800 O ALA A 147 69.751 5.158 6.845 1.00 0.00 O ATOM 801 CB ALA A 147 68.677 7.515 8.897 1.00 0.00 C ATOM 0 H ALA A 147 70.443 8.393 7.442 1.00 0.00 H new ATOM 0 HA ALA A 147 70.503 6.588 9.594 1.00 0.00 H new ATOM 0 HB1 ALA A 147 68.027 6.932 9.549 1.00 0.00 H new ATOM 0 HB2 ALA A 147 68.903 8.470 9.370 1.00 0.00 H new ATOM 0 HB3 ALA A 147 68.173 7.691 7.947 1.00 0.00 H new ATOM 807 N SER A 148 69.314 4.443 8.941 1.00 0.00 N ATOM 808 CA SER A 148 68.903 3.114 8.515 1.00 0.00 C ATOM 809 C SER A 148 67.775 2.595 9.403 1.00 0.00 C ATOM 810 O SER A 148 67.799 2.755 10.623 1.00 0.00 O ATOM 811 CB SER A 148 70.091 2.153 8.583 1.00 0.00 C ATOM 812 OG SER A 148 70.394 1.880 9.944 1.00 0.00 O ATOM 0 H SER A 148 69.311 4.584 9.951 1.00 0.00 H new ATOM 0 HA SER A 148 68.545 3.175 7.487 1.00 0.00 H new ATOM 0 HB2 SER A 148 69.856 1.227 8.058 1.00 0.00 H new ATOM 0 HB3 SER A 148 70.957 2.590 8.086 1.00 0.00 H new ATOM 0 HG SER A 148 71.154 1.263 9.993 1.00 0.00 H new ATOM 818 N SER A 149 66.789 1.973 8.768 1.00 0.00 N ATOM 819 CA SER A 149 65.666 1.371 9.477 1.00 0.00 C ATOM 820 C SER A 149 65.551 -0.103 9.087 1.00 0.00 C ATOM 821 O SER A 149 66.140 -0.509 8.085 1.00 0.00 O ATOM 822 CB SER A 149 64.379 2.112 9.105 1.00 0.00 C ATOM 823 OG SER A 149 64.098 1.891 7.730 1.00 0.00 O ATOM 0 H SER A 149 66.745 1.872 7.754 1.00 0.00 H new ATOM 0 HA SER A 149 65.825 1.444 10.553 1.00 0.00 H new ATOM 0 HB2 SER A 149 63.551 1.760 9.720 1.00 0.00 H new ATOM 0 HB3 SER A 149 64.489 3.179 9.300 1.00 0.00 H new ATOM 0 HG SER A 149 64.756 2.366 7.181 1.00 0.00 H new ATOM 829 N PRO A 150 64.835 -0.919 9.834 1.00 0.00 N ATOM 830 CA PRO A 150 64.673 -2.365 9.479 1.00 0.00 C ATOM 831 C PRO A 150 64.344 -2.570 8.000 1.00 0.00 C ATOM 832 O PRO A 150 64.938 -3.416 7.329 1.00 0.00 O ATOM 833 CB PRO A 150 63.522 -2.833 10.369 1.00 0.00 C ATOM 834 CG PRO A 150 63.593 -1.958 11.573 1.00 0.00 C ATOM 835 CD PRO A 150 64.125 -0.607 11.092 1.00 0.00 C ATOM 0 HA PRO A 150 65.593 -2.927 9.637 1.00 0.00 H new ATOM 0 HB2 PRO A 150 62.563 -2.731 9.862 1.00 0.00 H new ATOM 0 HB3 PRO A 150 63.631 -3.884 10.637 1.00 0.00 H new ATOM 0 HG2 PRO A 150 62.610 -1.848 12.032 1.00 0.00 H new ATOM 0 HG3 PRO A 150 64.251 -2.388 12.328 1.00 0.00 H new ATOM 0 HD2 PRO A 150 63.315 0.103 10.926 1.00 0.00 H new ATOM 0 HD3 PRO A 150 64.795 -0.159 11.826 1.00 0.00 H new ATOM 843 N GLU A 151 63.418 -1.766 7.487 1.00 0.00 N ATOM 844 CA GLU A 151 63.059 -1.841 6.076 1.00 0.00 C ATOM 845 C GLU A 151 64.286 -1.599 5.202 1.00 0.00 C ATOM 846 O GLU A 151 64.518 -2.311 4.226 1.00 0.00 O ATOM 847 CB GLU A 151 61.985 -0.800 5.752 1.00 0.00 C ATOM 848 CG GLU A 151 60.707 -1.119 6.536 1.00 0.00 C ATOM 849 CD GLU A 151 59.576 -0.153 6.176 1.00 0.00 C ATOM 850 OE1 GLU A 151 59.855 0.918 5.659 1.00 0.00 O ATOM 851 OE2 GLU A 151 58.435 -0.504 6.426 1.00 0.00 O ATOM 0 H GLU A 151 62.908 -1.062 8.021 1.00 0.00 H new ATOM 0 HA GLU A 151 62.669 -2.838 5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 151 62.342 0.197 6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 151 61.777 -0.798 4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 151 60.395 -2.142 6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 151 60.910 -1.061 7.605 1.00 0.00 H new ATOM 858 N CYS A 152 65.088 -0.605 5.575 1.00 0.00 N ATOM 859 CA CYS A 152 66.284 -0.279 4.807 1.00 0.00 C ATOM 860 C CYS A 152 67.227 -1.476 4.750 1.00 0.00 C ATOM 861 O CYS A 152 67.797 -1.783 3.706 1.00 0.00 O ATOM 862 CB CYS A 152 67.011 0.909 5.437 1.00 0.00 C ATOM 863 SG CYS A 152 65.896 2.335 5.487 1.00 0.00 S ATOM 0 H CYS A 152 64.933 -0.018 6.395 1.00 0.00 H new ATOM 0 HA CYS A 152 65.976 -0.019 3.794 1.00 0.00 H new ATOM 0 HB2 CYS A 152 67.341 0.655 6.444 1.00 0.00 H new ATOM 0 HB3 CYS A 152 67.904 1.151 4.861 1.00 0.00 H new ATOM 0 HG CYS A 152 66.249 3.194 4.578 1.00 0.00 H new ATOM 869 N MET A 153 67.374 -2.164 5.878 1.00 0.00 N ATOM 870 CA MET A 153 68.279 -3.304 5.954 1.00 0.00 C ATOM 871 C MET A 153 67.893 -4.359 4.925 1.00 0.00 C ATOM 872 O MET A 153 68.741 -4.880 4.202 1.00 0.00 O ATOM 873 CB MET A 153 68.233 -3.915 7.357 1.00 0.00 C ATOM 874 CG MET A 153 68.729 -2.899 8.390 1.00 0.00 C ATOM 875 SD MET A 153 69.496 -3.775 9.776 1.00 0.00 S ATOM 876 CE MET A 153 70.982 -4.334 8.904 1.00 0.00 C ATOM 0 H MET A 153 66.882 -1.954 6.746 1.00 0.00 H new ATOM 0 HA MET A 153 69.291 -2.958 5.743 1.00 0.00 H new ATOM 0 HB2 MET A 153 67.214 -4.220 7.596 1.00 0.00 H new ATOM 0 HB3 MET A 153 68.851 -4.812 7.392 1.00 0.00 H new ATOM 0 HG2 MET A 153 69.448 -2.220 7.932 1.00 0.00 H new ATOM 0 HG3 MET A 153 67.898 -2.290 8.746 1.00 0.00 H new ATOM 0 HE1 MET A 153 71.110 -5.406 9.054 1.00 0.00 H new ATOM 0 HE2 MET A 153 70.879 -4.126 7.839 1.00 0.00 H new ATOM 0 HE3 MET A 153 71.853 -3.806 9.294 1.00 0.00 H new ATOM 886 N GLU A 154 66.600 -4.654 4.848 1.00 0.00 N ATOM 887 CA GLU A 154 66.115 -5.650 3.897 1.00 0.00 C ATOM 888 C GLU A 154 66.480 -5.241 2.474 1.00 0.00 C ATOM 889 O GLU A 154 66.977 -6.048 1.687 1.00 0.00 O ATOM 890 CB GLU A 154 64.597 -5.796 4.017 1.00 0.00 C ATOM 891 CG GLU A 154 64.248 -6.396 5.384 1.00 0.00 C ATOM 892 CD GLU A 154 62.743 -6.636 5.515 1.00 0.00 C ATOM 893 OE1 GLU A 154 61.979 -6.005 4.801 1.00 0.00 O ATOM 894 OE2 GLU A 154 62.372 -7.448 6.347 1.00 0.00 O ATOM 0 H GLU A 154 65.876 -4.225 5.424 1.00 0.00 H new ATOM 0 HA GLU A 154 66.586 -6.606 4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 154 64.117 -4.824 3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 154 64.218 -6.436 3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 154 64.782 -7.337 5.518 1.00 0.00 H new ATOM 0 HG3 GLU A 154 64.582 -5.724 6.175 1.00 0.00 H new ATOM 901 N LEU A 155 66.253 -3.973 2.156 1.00 0.00 N ATOM 902 CA LEU A 155 66.558 -3.463 0.823 1.00 0.00 C ATOM 903 C LEU A 155 68.037 -3.664 0.496 1.00 0.00 C ATOM 904 O LEU A 155 68.393 -4.068 -0.610 1.00 0.00 O ATOM 905 CB LEU A 155 66.192 -1.975 0.750 1.00 0.00 C ATOM 906 CG LEU A 155 64.683 -1.806 0.962 1.00 0.00 C ATOM 907 CD1 LEU A 155 64.369 -0.344 1.291 1.00 0.00 C ATOM 908 CD2 LEU A 155 63.918 -2.204 -0.304 1.00 0.00 C ATOM 0 H LEU A 155 65.862 -3.282 2.797 1.00 0.00 H new ATOM 0 HA LEU A 155 65.971 -4.014 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 155 66.741 -1.417 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 155 66.482 -1.566 -0.218 1.00 0.00 H new ATOM 0 HG LEU A 155 64.375 -2.449 1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 155 63.296 -0.227 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.896 -0.054 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.691 0.292 0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 155 62.848 -2.078 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 155 64.233 -1.571 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 155 64.128 -3.246 -0.543 1.00 0.00 H new ATOM 920 N TYR A 156 68.892 -3.413 1.478 1.00 0.00 N ATOM 921 CA TYR A 156 70.330 -3.567 1.296 1.00 0.00 C ATOM 922 C TYR A 156 70.668 -5.004 0.908 1.00 0.00 C ATOM 923 O TYR A 156 71.407 -5.250 -0.044 1.00 0.00 O ATOM 924 CB TYR A 156 71.037 -3.192 2.602 1.00 0.00 C ATOM 925 CG TYR A 156 72.532 -3.412 2.597 1.00 0.00 C ATOM 926 CD1 TYR A 156 73.347 -2.694 1.713 1.00 0.00 C ATOM 927 CD2 TYR A 156 73.104 -4.327 3.489 1.00 0.00 C ATOM 928 CE1 TYR A 156 74.733 -2.891 1.724 1.00 0.00 C ATOM 929 CE2 TYR A 156 74.488 -4.526 3.498 1.00 0.00 C ATOM 930 CZ TYR A 156 75.304 -3.808 2.616 1.00 0.00 C ATOM 931 OH TYR A 156 76.670 -4.002 2.626 1.00 0.00 O ATOM 0 H TYR A 156 68.615 -3.102 2.409 1.00 0.00 H new ATOM 0 HA TYR A 156 70.667 -2.911 0.493 1.00 0.00 H new ATOM 0 HB2 TYR A 156 70.839 -2.142 2.818 1.00 0.00 H new ATOM 0 HB3 TYR A 156 70.601 -3.773 3.415 1.00 0.00 H new ATOM 0 HD1 TYR A 156 72.907 -1.989 1.023 1.00 0.00 H new ATOM 0 HD2 TYR A 156 72.475 -4.880 4.171 1.00 0.00 H new ATOM 0 HE1 TYR A 156 75.362 -2.336 1.044 1.00 0.00 H new ATOM 0 HE2 TYR A 156 74.927 -5.234 4.185 1.00 0.00 H new ATOM 0 HH TYR A 156 77.112 -3.238 2.201 1.00 0.00 H new ATOM 941 N MET A 157 70.098 -5.952 1.639 1.00 0.00 N ATOM 942 CA MET A 157 70.365 -7.363 1.388 1.00 0.00 C ATOM 943 C MET A 157 70.003 -7.728 -0.050 1.00 0.00 C ATOM 944 O MET A 157 70.767 -8.397 -0.747 1.00 0.00 O ATOM 945 CB MET A 157 69.553 -8.215 2.367 1.00 0.00 C ATOM 946 CG MET A 157 69.888 -9.697 2.180 1.00 0.00 C ATOM 947 SD MET A 157 68.942 -10.680 3.369 1.00 0.00 S ATOM 948 CE MET A 157 67.295 -10.330 2.702 1.00 0.00 C ATOM 0 H MET A 157 69.451 -5.772 2.407 1.00 0.00 H new ATOM 0 HA MET A 157 71.428 -7.556 1.533 1.00 0.00 H new ATOM 0 HB2 MET A 157 69.770 -7.912 3.391 1.00 0.00 H new ATOM 0 HB3 MET A 157 68.487 -8.052 2.205 1.00 0.00 H new ATOM 0 HG2 MET A 157 69.651 -10.009 1.163 1.00 0.00 H new ATOM 0 HG3 MET A 157 70.956 -9.861 2.324 1.00 0.00 H new ATOM 0 HE1 MET A 157 66.702 -11.245 2.698 1.00 0.00 H new ATOM 0 HE2 MET A 157 66.803 -9.581 3.323 1.00 0.00 H new ATOM 0 HE3 MET A 157 67.388 -9.953 1.683 1.00 0.00 H new ATOM 958 N GLU A 158 68.848 -7.255 -0.497 1.00 0.00 N ATOM 959 CA GLU A 158 68.374 -7.576 -1.838 1.00 0.00 C ATOM 960 C GLU A 158 69.373 -7.101 -2.887 1.00 0.00 C ATOM 961 O GLU A 158 69.726 -7.843 -3.804 1.00 0.00 O ATOM 962 CB GLU A 158 67.015 -6.920 -2.086 1.00 0.00 C ATOM 963 CG GLU A 158 65.974 -7.520 -1.136 1.00 0.00 C ATOM 964 CD GLU A 158 65.806 -9.020 -1.383 1.00 0.00 C ATOM 965 OE1 GLU A 158 66.072 -9.465 -2.488 1.00 0.00 O ATOM 966 OE2 GLU A 158 65.398 -9.704 -0.458 1.00 0.00 O ATOM 0 H GLU A 158 68.226 -6.653 0.043 1.00 0.00 H new ATOM 0 HA GLU A 158 68.271 -8.658 -1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 158 67.086 -5.843 -1.931 1.00 0.00 H new ATOM 0 HB3 GLU A 158 66.709 -7.074 -3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 158 66.278 -7.350 -0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 158 65.017 -7.016 -1.274 1.00 0.00 H new ATOM 973 N ALA A 159 69.850 -5.870 -2.733 1.00 0.00 N ATOM 974 CA ALA A 159 70.789 -5.308 -3.697 1.00 0.00 C ATOM 975 C ALA A 159 72.042 -6.172 -3.781 1.00 0.00 C ATOM 976 O ALA A 159 72.522 -6.486 -4.869 1.00 0.00 O ATOM 977 CB ALA A 159 71.173 -3.882 -3.303 1.00 0.00 C ATOM 0 H ALA A 159 69.606 -5.250 -1.961 1.00 0.00 H new ATOM 0 HA ALA A 159 70.304 -5.286 -4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 159 71.874 -3.479 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 159 70.279 -3.259 -3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 159 71.640 -3.890 -2.318 1.00 0.00 H new ATOM 983 N LEU A 160 72.549 -6.588 -2.625 1.00 0.00 N ATOM 984 CA LEU A 160 73.767 -7.392 -2.582 1.00 0.00 C ATOM 985 C LEU A 160 73.610 -8.652 -3.424 1.00 0.00 C ATOM 986 O LEU A 160 74.515 -9.035 -4.163 1.00 0.00 O ATOM 987 CB LEU A 160 74.086 -7.792 -1.139 1.00 0.00 C ATOM 988 CG LEU A 160 74.469 -6.556 -0.323 1.00 0.00 C ATOM 989 CD1 LEU A 160 74.567 -6.935 1.157 1.00 0.00 C ATOM 990 CD2 LEU A 160 75.823 -6.024 -0.804 1.00 0.00 C ATOM 0 H LEU A 160 72.141 -6.385 -1.713 1.00 0.00 H new ATOM 0 HA LEU A 160 74.582 -6.791 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 160 73.222 -8.281 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 160 74.903 -8.514 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 160 73.710 -5.785 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 160 74.840 -6.056 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 160 73.604 -7.314 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 160 75.327 -7.706 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 160 76.095 -5.143 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 160 76.583 -6.794 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 160 75.755 -5.756 -1.858 1.00 0.00 H new ATOM 1002 N GLN A 161 72.454 -9.291 -3.299 1.00 0.00 N ATOM 1003 CA GLN A 161 72.183 -10.503 -4.061 1.00 0.00 C ATOM 1004 C GLN A 161 72.262 -10.217 -5.555 1.00 0.00 C ATOM 1005 O GLN A 161 72.926 -10.932 -6.304 1.00 0.00 O ATOM 1006 CB GLN A 161 70.794 -11.041 -3.712 1.00 0.00 C ATOM 1007 CG GLN A 161 70.764 -11.465 -2.242 1.00 0.00 C ATOM 1008 CD GLN A 161 69.361 -11.925 -1.851 1.00 0.00 C ATOM 1009 OE1 GLN A 161 68.379 -11.553 -2.495 1.00 0.00 O ATOM 1010 NE2 GLN A 161 69.210 -12.718 -0.826 1.00 0.00 N ATOM 0 H GLN A 161 71.696 -8.994 -2.684 1.00 0.00 H new ATOM 0 HA GLN A 161 72.933 -11.251 -3.804 1.00 0.00 H new ATOM 0 HB2 GLN A 161 70.040 -10.276 -3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 161 70.550 -11.890 -4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 161 71.478 -12.271 -2.074 1.00 0.00 H new ATOM 0 HG3 GLN A 161 71.070 -10.631 -1.610 1.00 0.00 H new ATOM 0 HE21 GLN A 161 70.025 -13.025 -0.294 1.00 0.00 H new ATOM 0 HE22 GLN A 161 68.277 -13.031 -0.557 1.00 0.00 H new ATOM 1019 N ARG A 162 71.630 -9.127 -5.975 1.00 0.00 N ATOM 1020 CA ARG A 162 71.578 -8.781 -7.392 1.00 0.00 C ATOM 1021 C ARG A 162 72.979 -8.656 -7.983 1.00 0.00 C ATOM 1022 O ARG A 162 73.229 -9.098 -9.105 1.00 0.00 O ATOM 1023 CB ARG A 162 70.834 -7.456 -7.575 1.00 0.00 C ATOM 1024 CG ARG A 162 69.392 -7.582 -7.065 1.00 0.00 C ATOM 1025 CD ARG A 162 68.465 -6.648 -7.850 1.00 0.00 C ATOM 1026 NE ARG A 162 68.058 -7.268 -9.114 1.00 0.00 N ATOM 1027 CZ ARG A 162 68.600 -6.975 -10.305 1.00 0.00 C ATOM 1028 NH1 ARG A 162 69.601 -6.140 -10.442 1.00 0.00 N ATOM 1029 NH2 ARG A 162 68.123 -7.559 -11.369 1.00 0.00 N ATOM 0 H ARG A 162 71.149 -8.471 -5.360 1.00 0.00 H new ATOM 0 HA ARG A 162 71.052 -9.580 -7.914 1.00 0.00 H new ATOM 0 HB2 ARG A 162 71.351 -6.663 -7.034 1.00 0.00 H new ATOM 0 HB3 ARG A 162 70.832 -7.174 -8.628 1.00 0.00 H new ATOM 0 HG2 ARG A 162 69.052 -8.613 -7.167 1.00 0.00 H new ATOM 0 HG3 ARG A 162 69.352 -7.337 -6.004 1.00 0.00 H new ATOM 0 HD2 ARG A 162 67.584 -6.415 -7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 162 68.974 -5.705 -8.049 1.00 0.00 H new ATOM 0 HE ARG A 162 67.315 -7.967 -9.086 1.00 0.00 H new ATOM 0 HH11 ARG A 162 70.000 -5.683 -9.622 1.00 0.00 H new ATOM 0 HH12 ARG A 162 69.981 -5.947 -11.369 1.00 0.00 H new ATOM 0 HH21 ARG A 162 67.353 -8.223 -11.285 1.00 0.00 H new ATOM 0 HH22 ARG A 162 68.519 -7.352 -12.286 1.00 0.00 H new ATOM 1043 N ILE A 163 73.887 -8.051 -7.227 1.00 0.00 N ATOM 1044 CA ILE A 163 75.236 -7.790 -7.735 1.00 0.00 C ATOM 1045 C ILE A 163 76.209 -8.954 -7.511 1.00 0.00 C ATOM 1046 O ILE A 163 77.420 -8.780 -7.648 1.00 0.00 O ATOM 1047 CB ILE A 163 75.797 -6.516 -7.097 1.00 0.00 C ATOM 1048 CG1 ILE A 163 75.809 -6.659 -5.574 1.00 0.00 C ATOM 1049 CG2 ILE A 163 74.926 -5.321 -7.494 1.00 0.00 C ATOM 1050 CD1 ILE A 163 76.652 -5.537 -4.962 1.00 0.00 C ATOM 0 H ILE A 163 73.721 -7.734 -6.272 1.00 0.00 H new ATOM 0 HA ILE A 163 75.141 -7.665 -8.814 1.00 0.00 H new ATOM 0 HB ILE A 163 76.816 -6.357 -7.448 1.00 0.00 H new ATOM 0 HG12 ILE A 163 74.791 -6.616 -5.186 1.00 0.00 H new ATOM 0 HG13 ILE A 163 76.217 -7.630 -5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 163 75.325 -4.414 -7.040 1.00 0.00 H new ATOM 0 HG22 ILE A 163 74.927 -5.215 -8.579 1.00 0.00 H new ATOM 0 HG23 ILE A 163 73.906 -5.483 -7.146 1.00 0.00 H new ATOM 0 HD11 ILE A 163 76.661 -5.639 -3.877 1.00 0.00 H new ATOM 0 HD12 ILE A 163 77.672 -5.601 -5.340 1.00 0.00 H new ATOM 0 HD13 ILE A 163 76.224 -4.572 -5.232 1.00 0.00 H new ATOM 1062 N GLY A 164 75.696 -10.134 -7.168 1.00 0.00 N ATOM 1063 CA GLY A 164 76.532 -11.329 -7.067 1.00 0.00 C ATOM 1064 C GLY A 164 77.432 -11.336 -5.830 1.00 0.00 C ATOM 1065 O GLY A 164 78.429 -12.059 -5.801 1.00 0.00 O ATOM 0 H GLY A 164 74.710 -10.288 -6.956 1.00 0.00 H new ATOM 0 HA2 GLY A 164 75.892 -12.211 -7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 164 77.153 -11.406 -7.960 1.00 0.00 H new ATOM 1069 N ARG A 165 77.095 -10.544 -4.814 1.00 0.00 N ATOM 1070 CA ARG A 165 77.861 -10.546 -3.571 1.00 0.00 C ATOM 1071 C ARG A 165 77.183 -11.446 -2.541 1.00 0.00 C ATOM 1072 O ARG A 165 76.394 -10.981 -1.718 1.00 0.00 O ATOM 1073 CB ARG A 165 77.989 -9.124 -3.023 1.00 0.00 C ATOM 1074 CG ARG A 165 78.817 -8.281 -3.996 1.00 0.00 C ATOM 1075 CD ARG A 165 79.200 -6.956 -3.333 1.00 0.00 C ATOM 1076 NE ARG A 165 80.278 -7.173 -2.365 1.00 0.00 N ATOM 1077 CZ ARG A 165 81.187 -6.238 -2.047 1.00 0.00 C ATOM 1078 NH1 ARG A 165 81.162 -5.033 -2.563 1.00 0.00 N ATOM 1079 NH2 ARG A 165 82.125 -6.537 -1.190 1.00 0.00 N ATOM 0 H ARG A 165 76.305 -9.899 -4.826 1.00 0.00 H new ATOM 0 HA ARG A 165 78.860 -10.932 -3.776 1.00 0.00 H new ATOM 0 HB2 ARG A 165 77.001 -8.682 -2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 165 78.465 -9.141 -2.042 1.00 0.00 H new ATOM 0 HG2 ARG A 165 79.715 -8.825 -4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 165 78.246 -8.092 -4.905 1.00 0.00 H new ATOM 0 HD2 ARG A 165 79.519 -6.240 -4.090 1.00 0.00 H new ATOM 0 HD3 ARG A 165 78.332 -6.526 -2.833 1.00 0.00 H new ATOM 0 HE ARG A 165 80.341 -8.083 -1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 165 80.434 -4.779 -3.231 1.00 0.00 H new ATOM 0 HH12 ARG A 165 81.870 -4.349 -2.297 1.00 0.00 H new ATOM 0 HH21 ARG A 165 82.158 -7.468 -0.774 1.00 0.00 H new ATOM 0 HH22 ARG A 165 82.825 -5.840 -0.936 1.00 0.00 H new