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 -60:sc= 1.12 USER MOD Set 1.2: A 152 CYS SG : rot -107:sc= 1.11 USER MOD Single : A 103 MET CE :methyl -138:sc= -0.216 (180deg=-1.34!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=-0.001) 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 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0.403 K(o=0.4,f=-4.3!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 131 SER OG : rot 90:sc= -0.22 USER MOD Single : A 132 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 81:sc= 0.252 USER MOD Single : A 143 THR OG1 : rot 73:sc= 0.165 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 153 MET CE :methyl -127:sc= -0.279 (180deg=-2.59!) USER MOD Single : A 156 TYR OH : rot 17:sc= 0.141 USER MOD Single : A 157 MET CE :methyl 141:sc= -0.192 (180deg=-1.35!) USER MOD Single : A 161 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 100 N MET A 103 60.242 11.165 -10.962 1.00 0.00 N ATOM 101 CA MET A 103 59.909 10.642 -9.641 1.00 0.00 C ATOM 102 C MET A 103 61.175 10.331 -8.846 1.00 0.00 C ATOM 103 O MET A 103 61.330 10.773 -7.707 1.00 0.00 O ATOM 104 CB MET A 103 59.071 9.369 -9.783 1.00 0.00 C ATOM 105 CG MET A 103 57.767 9.684 -10.521 1.00 0.00 C ATOM 106 SD MET A 103 56.766 10.832 -9.542 1.00 0.00 S ATOM 107 CE MET A 103 56.409 9.713 -8.166 1.00 0.00 C ATOM 0 HA MET A 103 59.338 11.401 -9.106 1.00 0.00 H new ATOM 0 HB2 MET A 103 59.634 8.611 -10.328 1.00 0.00 H new ATOM 0 HB3 MET A 103 58.851 8.956 -8.799 1.00 0.00 H new ATOM 0 HG2 MET A 103 57.987 10.120 -11.496 1.00 0.00 H new ATOM 0 HG3 MET A 103 57.210 8.765 -10.701 1.00 0.00 H new ATOM 0 HE1 MET A 103 55.365 9.820 -7.872 1.00 0.00 H new ATOM 0 HE2 MET A 103 56.596 8.685 -8.475 1.00 0.00 H new ATOM 0 HE3 MET A 103 57.051 9.960 -7.320 1.00 0.00 H new ATOM 117 N LEU A 104 62.092 9.593 -9.465 1.00 0.00 N ATOM 118 CA LEU A 104 63.326 9.204 -8.792 1.00 0.00 C ATOM 119 C LEU A 104 64.076 10.428 -8.272 1.00 0.00 C ATOM 120 O LEU A 104 64.499 10.464 -7.117 1.00 0.00 O ATOM 121 CB LEU A 104 64.232 8.431 -9.756 1.00 0.00 C ATOM 122 CG LEU A 104 63.533 7.149 -10.216 1.00 0.00 C ATOM 123 CD1 LEU A 104 64.373 6.474 -11.304 1.00 0.00 C ATOM 124 CD2 LEU A 104 63.379 6.195 -9.030 1.00 0.00 C ATOM 0 H LEU A 104 62.005 9.255 -10.423 1.00 0.00 H new ATOM 0 HA LEU A 104 63.060 8.569 -7.947 1.00 0.00 H new ATOM 0 HB2 LEU A 104 64.474 9.053 -10.618 1.00 0.00 H new ATOM 0 HB3 LEU A 104 65.174 8.186 -9.265 1.00 0.00 H new ATOM 0 HG LEU A 104 62.549 7.396 -10.614 1.00 0.00 H new ATOM 0 HD11 LEU A 104 63.877 5.561 -11.633 1.00 0.00 H new ATOM 0 HD12 LEU A 104 64.484 7.152 -12.151 1.00 0.00 H new ATOM 0 HD13 LEU A 104 65.357 6.228 -10.904 1.00 0.00 H new ATOM 0 HD21 LEU A 104 62.881 5.283 -9.359 1.00 0.00 H new ATOM 0 HD22 LEU A 104 64.363 5.948 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 104 62.783 6.674 -8.253 1.00 0.00 H new ATOM 136 N ALA A 105 64.216 11.441 -9.121 1.00 0.00 N ATOM 137 CA ALA A 105 64.998 12.619 -8.760 1.00 0.00 C ATOM 138 C ALA A 105 64.415 13.323 -7.539 1.00 0.00 C ATOM 139 O ALA A 105 65.135 13.616 -6.586 1.00 0.00 O ATOM 140 CB ALA A 105 65.049 13.594 -9.937 1.00 0.00 C ATOM 0 H ALA A 105 63.804 11.471 -10.053 1.00 0.00 H new ATOM 0 HA ALA A 105 66.006 12.286 -8.513 1.00 0.00 H new ATOM 0 HB1 ALA A 105 65.635 14.470 -9.659 1.00 0.00 H new ATOM 0 HB2 ALA A 105 65.512 13.105 -10.794 1.00 0.00 H new ATOM 0 HB3 ALA A 105 64.037 13.902 -10.198 1.00 0.00 H new ATOM 146 N THR A 106 63.109 13.574 -7.551 1.00 0.00 N ATOM 147 CA THR A 106 62.465 14.276 -6.443 1.00 0.00 C ATOM 148 C THR A 106 62.753 13.586 -5.110 1.00 0.00 C ATOM 149 O THR A 106 63.224 14.214 -4.160 1.00 0.00 O ATOM 150 CB THR A 106 60.952 14.331 -6.672 1.00 0.00 C ATOM 151 OG1 THR A 106 60.691 14.872 -7.959 1.00 0.00 O ATOM 152 CG2 THR A 106 60.304 15.215 -5.604 1.00 0.00 C ATOM 0 H THR A 106 62.480 13.305 -8.308 1.00 0.00 H new ATOM 0 HA THR A 106 62.870 15.287 -6.403 1.00 0.00 H new ATOM 0 HB THR A 106 60.537 13.325 -6.608 1.00 0.00 H new ATOM 0 HG1 THR A 106 59.723 14.907 -8.109 1.00 0.00 H new ATOM 0 HG21 THR A 106 59.227 15.254 -5.768 1.00 0.00 H new ATOM 0 HG22 THR A 106 60.506 14.800 -4.617 1.00 0.00 H new ATOM 0 HG23 THR A 106 60.717 16.222 -5.666 1.00 0.00 H new ATOM 160 N ARG A 107 62.492 12.285 -5.053 1.00 0.00 N ATOM 161 CA ARG A 107 62.704 11.532 -3.822 1.00 0.00 C ATOM 162 C ARG A 107 64.149 11.661 -3.344 1.00 0.00 C ATOM 163 O ARG A 107 64.397 11.894 -2.160 1.00 0.00 O ATOM 164 CB ARG A 107 62.359 10.059 -4.048 1.00 0.00 C ATOM 165 CG ARG A 107 60.899 9.936 -4.491 1.00 0.00 C ATOM 166 CD ARG A 107 59.972 10.248 -3.314 1.00 0.00 C ATOM 167 NE ARG A 107 58.584 9.940 -3.669 1.00 0.00 N ATOM 168 CZ ARG A 107 58.047 8.715 -3.563 1.00 0.00 C ATOM 169 NH1 ARG A 107 58.735 7.685 -3.132 1.00 0.00 N ATOM 170 NH2 ARG A 107 56.799 8.542 -3.902 1.00 0.00 N ATOM 0 H ARG A 107 62.137 11.735 -5.835 1.00 0.00 H new ATOM 0 HA ARG A 107 62.051 11.943 -3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 107 63.017 9.633 -4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 107 62.520 9.492 -3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 107 60.700 10.622 -5.314 1.00 0.00 H new ATOM 0 HG3 ARG A 107 60.705 8.929 -4.861 1.00 0.00 H new ATOM 0 HD2 ARG A 107 60.270 9.666 -2.442 1.00 0.00 H new ATOM 0 HD3 ARG A 107 60.061 11.299 -3.040 1.00 0.00 H new ATOM 0 HE ARG A 107 57.995 10.697 -4.015 1.00 0.00 H new ATOM 0 HH11 ARG A 107 59.712 7.801 -2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 107 58.293 6.768 -3.065 1.00 0.00 H new ATOM 0 HH21 ARG A 107 56.249 9.331 -4.241 1.00 0.00 H new ATOM 0 HH22 ARG A 107 56.374 7.618 -3.828 1.00 0.00 H new ATOM 184 N GLU A 108 65.102 11.536 -4.266 1.00 0.00 N ATOM 185 CA GLU A 108 66.510 11.618 -3.898 1.00 0.00 C ATOM 186 C GLU A 108 66.827 12.976 -3.280 1.00 0.00 C ATOM 187 O GLU A 108 67.570 13.057 -2.305 1.00 0.00 O ATOM 188 CB GLU A 108 67.396 11.377 -5.124 1.00 0.00 C ATOM 189 CG GLU A 108 68.873 11.362 -4.701 1.00 0.00 C ATOM 190 CD GLU A 108 69.796 11.002 -5.870 1.00 0.00 C ATOM 191 OE1 GLU A 108 69.342 10.986 -7.005 1.00 0.00 O ATOM 192 OE2 GLU A 108 70.962 10.754 -5.609 1.00 0.00 O ATOM 0 H GLU A 108 64.927 11.380 -5.259 1.00 0.00 H new ATOM 0 HA GLU A 108 66.715 10.845 -3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 108 67.133 10.430 -5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 108 67.228 12.158 -5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 108 69.149 12.341 -4.308 1.00 0.00 H new ATOM 0 HG3 GLU A 108 69.012 10.644 -3.893 1.00 0.00 H new ATOM 199 N GLN A 109 66.258 14.038 -3.841 1.00 0.00 N ATOM 200 CA GLN A 109 66.523 15.382 -3.341 1.00 0.00 C ATOM 201 C GLN A 109 66.136 15.488 -1.872 1.00 0.00 C ATOM 202 O GLN A 109 66.887 16.026 -1.059 1.00 0.00 O ATOM 203 CB GLN A 109 65.741 16.414 -4.157 1.00 0.00 C ATOM 204 CG GLN A 109 66.321 16.497 -5.571 1.00 0.00 C ATOM 205 CD GLN A 109 65.490 17.447 -6.429 1.00 0.00 C ATOM 206 OE1 GLN A 109 64.320 17.695 -6.136 1.00 0.00 O ATOM 207 NE2 GLN A 109 66.031 17.999 -7.480 1.00 0.00 N ATOM 0 H GLN A 109 65.617 13.996 -4.634 1.00 0.00 H new ATOM 0 HA GLN A 109 67.590 15.582 -3.441 1.00 0.00 H new ATOM 0 HB2 GLN A 109 64.688 16.136 -4.201 1.00 0.00 H new ATOM 0 HB3 GLN A 109 65.793 17.390 -3.674 1.00 0.00 H new ATOM 0 HG2 GLN A 109 67.354 16.844 -5.528 1.00 0.00 H new ATOM 0 HG3 GLN A 109 66.336 15.506 -6.024 1.00 0.00 H new ATOM 0 HE21 GLN A 109 67.000 17.793 -7.722 1.00 0.00 H new ATOM 0 HE22 GLN A 109 65.485 18.636 -8.059 1.00 0.00 H new ATOM 216 N GLU A 110 64.975 14.943 -1.531 1.00 0.00 N ATOM 217 CA GLU A 110 64.500 14.996 -0.152 1.00 0.00 C ATOM 218 C GLU A 110 65.475 14.280 0.778 1.00 0.00 C ATOM 219 O GLU A 110 65.859 14.811 1.819 1.00 0.00 O ATOM 220 CB GLU A 110 63.116 14.351 -0.045 1.00 0.00 C ATOM 221 CG GLU A 110 62.107 15.158 -0.870 1.00 0.00 C ATOM 222 CD GLU A 110 60.690 14.598 -0.720 1.00 0.00 C ATOM 223 OE1 GLU A 110 60.545 13.453 -0.319 1.00 0.00 O ATOM 224 OE2 GLU A 110 59.760 15.333 -1.012 1.00 0.00 O ATOM 0 H GLU A 110 64.351 14.465 -2.180 1.00 0.00 H new ATOM 0 HA GLU A 110 64.432 16.042 0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 110 63.154 13.322 -0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 110 62.801 14.313 0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 110 62.124 16.200 -0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 110 62.397 15.142 -1.920 1.00 0.00 H new ATOM 231 N ALA A 111 65.893 13.084 0.383 1.00 0.00 N ATOM 232 CA ALA A 111 66.813 12.301 1.201 1.00 0.00 C ATOM 233 C ALA A 111 68.116 13.063 1.426 1.00 0.00 C ATOM 234 O ALA A 111 68.613 13.144 2.548 1.00 0.00 O ATOM 235 CB ALA A 111 67.113 10.964 0.518 1.00 0.00 C ATOM 0 H ALA A 111 65.613 12.637 -0.490 1.00 0.00 H new ATOM 0 HA ALA A 111 66.342 12.118 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 111 67.801 10.386 1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 111 66.186 10.406 0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 111 67.567 11.147 -0.456 1.00 0.00 H new ATOM 241 N ASN A 112 68.656 13.629 0.352 1.00 0.00 N ATOM 242 CA ASN A 112 69.920 14.352 0.434 1.00 0.00 C ATOM 243 C ASN A 112 69.820 15.517 1.413 1.00 0.00 C ATOM 244 O ASN A 112 70.738 15.757 2.198 1.00 0.00 O ATOM 245 CB ASN A 112 70.310 14.876 -0.949 1.00 0.00 C ATOM 246 CG ASN A 112 71.736 15.416 -0.920 1.00 0.00 C ATOM 247 OD1 ASN A 112 72.676 14.673 -0.637 1.00 0.00 O ATOM 248 ND2 ASN A 112 71.955 16.672 -1.195 1.00 0.00 N ATOM 0 H ASN A 112 68.242 13.602 -0.580 1.00 0.00 H new ATOM 0 HA ASN A 112 70.684 13.663 0.793 1.00 0.00 H new ATOM 0 HB2 ASN A 112 70.230 14.076 -1.686 1.00 0.00 H new ATOM 0 HB3 ASN A 112 69.621 15.663 -1.256 1.00 0.00 H new ATOM 0 HD21 ASN A 112 72.906 17.040 -1.176 1.00 0.00 H new ATOM 0 HD22 ASN A 112 71.175 17.286 -1.429 1.00 0.00 H new ATOM 255 N LYS A 113 68.706 16.239 1.360 1.00 0.00 N ATOM 256 CA LYS A 113 68.508 17.379 2.248 1.00 0.00 C ATOM 257 C LYS A 113 68.573 16.927 3.700 1.00 0.00 C ATOM 258 O LYS A 113 69.238 17.548 4.530 1.00 0.00 O ATOM 259 CB LYS A 113 67.152 18.031 1.971 1.00 0.00 C ATOM 260 CG LYS A 113 67.015 19.306 2.806 1.00 0.00 C ATOM 261 CD LYS A 113 65.623 19.905 2.599 1.00 0.00 C ATOM 262 CE LYS A 113 65.534 21.252 3.319 1.00 0.00 C ATOM 263 NZ LYS A 113 66.123 22.315 2.456 1.00 0.00 N ATOM 0 H LYS A 113 67.934 16.058 0.719 1.00 0.00 H new ATOM 0 HA LYS A 113 69.298 18.107 2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 113 67.061 18.267 0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 113 66.347 17.337 2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 113 67.172 19.081 3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 113 67.779 20.027 2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 113 65.427 20.036 1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 113 64.862 19.225 2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 113 64.494 21.487 3.546 1.00 0.00 H new ATOM 0 HE3 LYS A 113 66.065 21.204 4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 66.063 23.231 2.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 67.120 22.091 2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 65.598 22.365 1.560 1.00 0.00 H new ATOM 277 N ASP A 114 67.873 15.837 3.998 1.00 0.00 N ATOM 278 CA ASP A 114 67.882 15.263 5.339 1.00 0.00 C ATOM 279 C ASP A 114 68.255 13.785 5.282 1.00 0.00 C ATOM 280 O ASP A 114 67.490 12.957 4.788 1.00 0.00 O ATOM 281 CB ASP A 114 66.502 15.415 5.981 1.00 0.00 C ATOM 282 CG ASP A 114 66.562 15.000 7.448 1.00 0.00 C ATOM 283 OD1 ASP A 114 66.891 15.843 8.267 1.00 0.00 O ATOM 284 OD2 ASP A 114 66.277 13.849 7.729 1.00 0.00 O ATOM 0 H ASP A 114 67.292 15.333 3.328 1.00 0.00 H new ATOM 0 HA ASP A 114 68.622 15.794 5.938 1.00 0.00 H new ATOM 0 HB2 ASP A 114 66.166 16.449 5.900 1.00 0.00 H new ATOM 0 HB3 ASP A 114 65.775 14.801 5.450 1.00 0.00 H new ATOM 289 N LEU A 115 69.443 13.456 5.779 1.00 0.00 N ATOM 290 CA LEU A 115 69.890 12.063 5.806 1.00 0.00 C ATOM 291 C LEU A 115 69.610 11.372 7.148 1.00 0.00 C ATOM 292 O LEU A 115 69.744 10.153 7.244 1.00 0.00 O ATOM 293 CB LEU A 115 71.390 11.984 5.505 1.00 0.00 C ATOM 294 CG LEU A 115 71.660 12.390 4.053 1.00 0.00 C ATOM 295 CD1 LEU A 115 73.169 12.522 3.837 1.00 0.00 C ATOM 296 CD2 LEU A 115 71.111 11.321 3.103 1.00 0.00 C ATOM 0 H LEU A 115 70.109 14.125 6.165 1.00 0.00 H new ATOM 0 HA LEU A 115 69.319 11.539 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 115 71.939 12.639 6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 115 71.751 10.970 5.680 1.00 0.00 H new ATOM 0 HG LEU A 115 71.170 13.342 3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 115 73.365 12.811 2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 115 73.568 13.283 4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 115 73.651 11.567 4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 115 71.306 11.616 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.599 10.368 3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 115 70.036 11.218 3.254 1.00 0.00 H new ATOM 308 N THR A 116 69.243 12.130 8.182 1.00 0.00 N ATOM 309 CA THR A 116 69.000 11.546 9.502 1.00 0.00 C ATOM 310 C THR A 116 67.531 11.158 9.722 1.00 0.00 C ATOM 311 O THR A 116 67.124 10.919 10.859 1.00 0.00 O ATOM 312 CB THR A 116 69.423 12.540 10.586 1.00 0.00 C ATOM 313 OG1 THR A 116 68.653 13.726 10.463 1.00 0.00 O ATOM 314 CG2 THR A 116 70.908 12.874 10.426 1.00 0.00 C ATOM 0 H THR A 116 69.108 13.140 8.133 1.00 0.00 H new ATOM 0 HA THR A 116 69.591 10.632 9.560 1.00 0.00 H new ATOM 0 HB THR A 116 69.258 12.098 11.569 1.00 0.00 H new ATOM 0 HG1 THR A 116 68.921 14.364 11.157 1.00 0.00 H new ATOM 0 HG21 THR A 116 71.207 13.582 11.199 1.00 0.00 H new ATOM 0 HG22 THR A 116 71.498 11.963 10.521 1.00 0.00 H new ATOM 0 HG23 THR A 116 71.078 13.316 9.444 1.00 0.00 H new ATOM 322 N SER A 117 66.733 11.095 8.656 1.00 0.00 N ATOM 323 CA SER A 117 65.330 10.705 8.778 1.00 0.00 C ATOM 324 C SER A 117 65.114 9.303 8.198 1.00 0.00 C ATOM 325 O SER A 117 64.890 9.179 6.993 1.00 0.00 O ATOM 326 CB SER A 117 64.457 11.701 8.013 1.00 0.00 C ATOM 327 OG SER A 117 63.133 11.194 7.928 1.00 0.00 O ATOM 0 H SER A 117 67.032 11.308 7.704 1.00 0.00 H new ATOM 0 HA SER A 117 65.058 10.701 9.833 1.00 0.00 H new ATOM 0 HB2 SER A 117 64.457 12.666 8.519 1.00 0.00 H new ATOM 0 HB3 SER A 117 64.861 11.864 7.014 1.00 0.00 H new ATOM 0 HG SER A 117 62.570 11.830 7.440 1.00 0.00 H new ATOM 333 N PRO A 118 65.145 8.255 8.999 1.00 0.00 N ATOM 334 CA PRO A 118 65.054 6.861 8.462 1.00 0.00 C ATOM 335 C PRO A 118 63.905 6.674 7.476 1.00 0.00 C ATOM 336 O PRO A 118 64.035 5.922 6.513 1.00 0.00 O ATOM 337 CB PRO A 118 64.847 5.990 9.701 1.00 0.00 C ATOM 338 CG PRO A 118 65.454 6.758 10.823 1.00 0.00 C ATOM 339 CD PRO A 118 65.294 8.237 10.469 1.00 0.00 C ATOM 0 HA PRO A 118 65.949 6.602 7.896 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.788 5.803 9.879 1.00 0.00 H new ATOM 0 HB3 PRO A 118 65.327 5.018 9.584 1.00 0.00 H new ATOM 0 HG2 PRO A 118 64.956 6.528 11.765 1.00 0.00 H new ATOM 0 HG3 PRO A 118 66.506 6.500 10.947 1.00 0.00 H new ATOM 0 HD2 PRO A 118 64.423 8.670 10.961 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.161 8.817 10.787 1.00 0.00 H new ATOM 347 N ASP A 119 62.792 7.365 7.703 1.00 0.00 N ATOM 348 CA ASP A 119 61.642 7.243 6.811 1.00 0.00 C ATOM 349 C ASP A 119 62.029 7.615 5.383 1.00 0.00 C ATOM 350 O ASP A 119 61.854 6.825 4.454 1.00 0.00 O ATOM 351 CB ASP A 119 60.506 8.147 7.291 1.00 0.00 C ATOM 352 CG ASP A 119 60.002 7.679 8.653 1.00 0.00 C ATOM 353 OD1 ASP A 119 59.992 6.481 8.881 1.00 0.00 O ATOM 354 OD2 ASP A 119 59.635 8.528 9.448 1.00 0.00 O ATOM 0 H ASP A 119 62.661 8.007 8.485 1.00 0.00 H new ATOM 0 HA ASP A 119 61.306 6.206 6.824 1.00 0.00 H new ATOM 0 HB2 ASP A 119 60.855 9.177 7.358 1.00 0.00 H new ATOM 0 HB3 ASP A 119 59.690 8.133 6.568 1.00 0.00 H new ATOM 359 N ALA A 120 62.578 8.814 5.214 1.00 0.00 N ATOM 360 CA ALA A 120 62.967 9.276 3.886 1.00 0.00 C ATOM 361 C ALA A 120 63.967 8.315 3.256 1.00 0.00 C ATOM 362 O ALA A 120 63.857 7.985 2.074 1.00 0.00 O ATOM 363 CB ALA A 120 63.581 10.676 3.968 1.00 0.00 C ATOM 0 H ALA A 120 62.762 9.475 5.969 1.00 0.00 H new ATOM 0 HA ALA A 120 62.073 9.313 3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 120 63.866 11.007 2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 120 62.851 11.370 4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 120 64.463 10.649 4.607 1.00 0.00 H new ATOM 369 N GLN A 121 64.923 7.837 4.052 1.00 0.00 N ATOM 370 CA GLN A 121 65.939 6.928 3.523 1.00 0.00 C ATOM 371 C GLN A 121 65.269 5.678 2.966 1.00 0.00 C ATOM 372 O GLN A 121 65.544 5.270 1.841 1.00 0.00 O ATOM 373 CB GLN A 121 66.971 6.506 4.585 1.00 0.00 C ATOM 374 CG GLN A 121 67.399 7.661 5.507 1.00 0.00 C ATOM 375 CD GLN A 121 67.743 8.934 4.731 1.00 0.00 C ATOM 376 OE1 GLN A 121 68.675 8.944 3.927 1.00 0.00 O ATOM 377 NE2 GLN A 121 67.027 10.008 4.926 1.00 0.00 N ATOM 0 H GLN A 121 65.015 8.058 5.044 1.00 0.00 H new ATOM 0 HA GLN A 121 66.470 7.468 2.739 1.00 0.00 H new ATOM 0 HB2 GLN A 121 66.552 5.703 5.191 1.00 0.00 H new ATOM 0 HB3 GLN A 121 67.852 6.102 4.086 1.00 0.00 H new ATOM 0 HG2 GLN A 121 66.596 7.875 6.212 1.00 0.00 H new ATOM 0 HG3 GLN A 121 68.264 7.352 6.093 1.00 0.00 H new ATOM 0 HE21 GLN A 121 66.256 9.993 5.594 1.00 0.00 H new ATOM 0 HE22 GLN A 121 67.238 10.862 4.411 1.00 0.00 H new ATOM 386 N ALA A 122 64.328 5.118 3.724 1.00 0.00 N ATOM 387 CA ALA A 122 63.675 3.871 3.333 1.00 0.00 C ATOM 388 C ALA A 122 63.071 4.000 1.942 1.00 0.00 C ATOM 389 O ALA A 122 63.282 3.150 1.079 1.00 0.00 O ATOM 390 CB ALA A 122 62.578 3.512 4.337 1.00 0.00 C ATOM 0 H ALA A 122 64.002 5.506 4.609 1.00 0.00 H new ATOM 0 HA ALA A 122 64.425 3.080 3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 122 62.099 2.581 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 122 63.017 3.389 5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 122 61.836 4.310 4.365 1.00 0.00 H new ATOM 396 N ALA A 123 62.365 5.102 1.717 1.00 0.00 N ATOM 397 CA ALA A 123 61.737 5.329 0.420 1.00 0.00 C ATOM 398 C ALA A 123 62.791 5.342 -0.684 1.00 0.00 C ATOM 399 O ALA A 123 62.615 4.721 -1.731 1.00 0.00 O ATOM 400 CB ALA A 123 60.979 6.658 0.427 1.00 0.00 C ATOM 0 H ALA A 123 62.214 5.842 2.403 1.00 0.00 H new ATOM 0 HA ALA A 123 61.034 4.518 0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 123 60.514 6.817 -0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 123 60.208 6.633 1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 123 61.674 7.472 0.635 1.00 0.00 H new ATOM 406 N PHE A 124 63.899 6.030 -0.432 1.00 0.00 N ATOM 407 CA PHE A 124 64.966 6.129 -1.424 1.00 0.00 C ATOM 408 C PHE A 124 65.496 4.745 -1.789 1.00 0.00 C ATOM 409 O PHE A 124 65.677 4.426 -2.963 1.00 0.00 O ATOM 410 CB PHE A 124 66.107 6.990 -0.883 1.00 0.00 C ATOM 411 CG PHE A 124 67.182 7.272 -1.907 1.00 0.00 C ATOM 412 CD1 PHE A 124 66.828 7.662 -3.205 1.00 0.00 C ATOM 413 CD2 PHE A 124 68.531 7.141 -1.558 1.00 0.00 C ATOM 414 CE1 PHE A 124 67.824 7.920 -4.153 1.00 0.00 C ATOM 415 CE2 PHE A 124 69.527 7.400 -2.507 1.00 0.00 C ATOM 416 CZ PHE A 124 69.174 7.788 -3.805 1.00 0.00 C ATOM 0 H PHE A 124 64.082 6.524 0.442 1.00 0.00 H new ATOM 0 HA PHE A 124 64.556 6.593 -2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 124 65.700 7.935 -0.524 1.00 0.00 H new ATOM 0 HB3 PHE A 124 66.555 6.489 -0.025 1.00 0.00 H new ATOM 0 HD1 PHE A 124 65.787 7.763 -3.474 1.00 0.00 H new ATOM 0 HD2 PHE A 124 68.803 6.840 -0.557 1.00 0.00 H new ATOM 0 HE1 PHE A 124 67.552 8.221 -5.154 1.00 0.00 H new ATOM 0 HE2 PHE A 124 70.568 7.300 -2.238 1.00 0.00 H new ATOM 0 HZ PHE A 124 69.943 7.985 -4.538 1.00 0.00 H new ATOM 426 N TYR A 125 65.721 3.913 -0.779 1.00 0.00 N ATOM 427 CA TYR A 125 66.258 2.573 -1.005 1.00 0.00 C ATOM 428 C TYR A 125 65.344 1.795 -1.948 1.00 0.00 C ATOM 429 O TYR A 125 65.797 1.176 -2.911 1.00 0.00 O ATOM 430 CB TYR A 125 66.373 1.813 0.322 1.00 0.00 C ATOM 431 CG TYR A 125 67.488 2.279 1.235 1.00 0.00 C ATOM 432 CD1 TYR A 125 68.817 1.938 0.963 1.00 0.00 C ATOM 433 CD2 TYR A 125 67.187 3.043 2.368 1.00 0.00 C ATOM 434 CE1 TYR A 125 69.841 2.363 1.824 1.00 0.00 C ATOM 435 CE2 TYR A 125 68.205 3.470 3.226 1.00 0.00 C ATOM 436 CZ TYR A 125 69.534 3.131 2.958 1.00 0.00 C ATOM 437 OH TYR A 125 70.538 3.553 3.812 1.00 0.00 O ATOM 0 H TYR A 125 65.542 4.139 0.199 1.00 0.00 H new ATOM 0 HA TYR A 125 67.248 2.671 -1.452 1.00 0.00 H new ATOM 0 HB2 TYR A 125 65.427 1.900 0.856 1.00 0.00 H new ATOM 0 HB3 TYR A 125 66.520 0.755 0.105 1.00 0.00 H new ATOM 0 HD1 TYR A 125 69.055 1.348 0.091 1.00 0.00 H new ATOM 0 HD2 TYR A 125 66.161 3.305 2.581 1.00 0.00 H new ATOM 0 HE1 TYR A 125 70.867 2.099 1.614 1.00 0.00 H new ATOM 0 HE2 TYR A 125 67.964 4.062 4.096 1.00 0.00 H new ATOM 0 HH TYR A 125 70.147 4.074 4.544 1.00 0.00 H new ATOM 447 N LYS A 126 64.045 1.857 -1.677 1.00 0.00 N ATOM 448 CA LYS A 126 63.070 1.128 -2.481 1.00 0.00 C ATOM 449 C LYS A 126 63.142 1.561 -3.939 1.00 0.00 C ATOM 450 O LYS A 126 63.157 0.729 -4.845 1.00 0.00 O ATOM 451 CB LYS A 126 61.663 1.388 -1.933 1.00 0.00 C ATOM 452 CG LYS A 126 61.546 0.834 -0.507 1.00 0.00 C ATOM 453 CD LYS A 126 60.106 0.404 -0.224 1.00 0.00 C ATOM 454 CE LYS A 126 60.013 -0.168 1.191 1.00 0.00 C ATOM 455 NZ LYS A 126 58.632 -0.670 1.436 1.00 0.00 N ATOM 0 H LYS A 126 63.644 2.400 -0.912 1.00 0.00 H new ATOM 0 HA LYS A 126 63.296 0.063 -2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 126 61.455 2.458 -1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 126 60.920 0.918 -2.577 1.00 0.00 H new ATOM 0 HG2 LYS A 126 62.218 -0.015 -0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 126 61.855 1.593 0.212 1.00 0.00 H new ATOM 0 HD2 LYS A 126 59.434 1.256 -0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 126 59.789 -0.343 -0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 126 60.733 -0.977 1.315 1.00 0.00 H new ATOM 0 HE3 LYS A 126 60.267 0.600 1.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 58.570 -1.059 2.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 57.955 0.113 1.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 58.406 -1.415 0.746 1.00 0.00 H new ATOM 469 N LEU A 127 63.204 2.867 -4.159 1.00 0.00 N ATOM 470 CA LEU A 127 63.242 3.399 -5.515 1.00 0.00 C ATOM 471 C LEU A 127 64.443 2.846 -6.272 1.00 0.00 C ATOM 472 O LEU A 127 64.322 2.417 -7.419 1.00 0.00 O ATOM 473 CB LEU A 127 63.322 4.925 -5.476 1.00 0.00 C ATOM 474 CG LEU A 127 62.079 5.484 -4.783 1.00 0.00 C ATOM 475 CD1 LEU A 127 62.336 6.934 -4.375 1.00 0.00 C ATOM 476 CD2 LEU A 127 60.892 5.429 -5.747 1.00 0.00 C ATOM 0 H LEU A 127 63.229 3.573 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 127 62.330 3.096 -6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 127 64.220 5.239 -4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 127 63.396 5.322 -6.489 1.00 0.00 H new ATOM 0 HG LEU A 127 61.856 4.890 -3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 127 61.451 7.335 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 127 63.184 6.975 -3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 127 62.557 7.528 -5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 127 60.005 5.827 -5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 127 61.114 6.025 -6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 127 60.710 4.395 -6.042 1.00 0.00 H new ATOM 488 N LEU A 128 65.597 2.831 -5.615 1.00 0.00 N ATOM 489 CA LEU A 128 66.823 2.388 -6.269 1.00 0.00 C ATOM 490 C LEU A 128 66.704 0.938 -6.724 1.00 0.00 C ATOM 491 O LEU A 128 67.158 0.591 -7.814 1.00 0.00 O ATOM 492 CB LEU A 128 68.016 2.540 -5.323 1.00 0.00 C ATOM 493 CG LEU A 128 68.527 3.982 -5.362 1.00 0.00 C ATOM 494 CD1 LEU A 128 69.446 4.233 -4.166 1.00 0.00 C ATOM 495 CD2 LEU A 128 69.307 4.213 -6.659 1.00 0.00 C ATOM 0 H LEU A 128 65.710 3.116 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 128 66.982 3.014 -7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 128 67.722 2.276 -4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 128 68.812 1.854 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 128 67.680 4.666 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 128 69.809 5.260 -4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 128 68.892 4.070 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 128 70.293 3.548 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 128 69.671 5.240 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 128 70.153 3.527 -6.702 1.00 0.00 H new ATOM 0 HD23 LEU A 128 68.653 4.037 -7.513 1.00 0.00 H new ATOM 507 N LEU A 129 66.104 0.092 -5.891 1.00 0.00 N ATOM 508 CA LEU A 129 65.945 -1.315 -6.251 1.00 0.00 C ATOM 509 C LEU A 129 65.035 -1.458 -7.469 1.00 0.00 C ATOM 510 O LEU A 129 65.374 -2.150 -8.427 1.00 0.00 O ATOM 511 CB LEU A 129 65.355 -2.104 -5.077 1.00 0.00 C ATOM 512 CG LEU A 129 66.475 -2.552 -4.136 1.00 0.00 C ATOM 513 CD1 LEU A 129 65.874 -2.978 -2.796 1.00 0.00 C ATOM 514 CD2 LEU A 129 67.219 -3.737 -4.756 1.00 0.00 C ATOM 0 H LEU A 129 65.726 0.348 -4.979 1.00 0.00 H new ATOM 0 HA LEU A 129 66.929 -1.715 -6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 129 64.639 -1.486 -4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 129 64.811 -2.972 -5.448 1.00 0.00 H new ATOM 0 HG LEU A 129 67.169 -1.726 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 129 66.671 -3.297 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 129 65.341 -2.137 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 129 65.180 -3.804 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 129 68.017 -4.056 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 129 66.524 -4.562 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 129 67.647 -3.438 -5.713 1.00 0.00 H new ATOM 526 N GLN A 130 63.912 -0.750 -7.459 1.00 0.00 N ATOM 527 CA GLN A 130 62.949 -0.851 -8.549 1.00 0.00 C ATOM 528 C GLN A 130 63.588 -0.466 -9.880 1.00 0.00 C ATOM 529 O GLN A 130 63.337 -1.101 -10.905 1.00 0.00 O ATOM 530 CB GLN A 130 61.752 0.062 -8.274 1.00 0.00 C ATOM 531 CG GLN A 130 61.005 -0.434 -7.034 1.00 0.00 C ATOM 532 CD GLN A 130 59.855 0.511 -6.694 1.00 0.00 C ATOM 533 OE1 GLN A 130 59.868 1.678 -7.085 1.00 0.00 O ATOM 534 NE2 GLN A 130 58.851 0.070 -5.986 1.00 0.00 N ATOM 0 H GLN A 130 63.647 -0.105 -6.715 1.00 0.00 H new ATOM 0 HA GLN A 130 62.614 -1.886 -8.611 1.00 0.00 H new ATOM 0 HB2 GLN A 130 62.090 1.087 -8.122 1.00 0.00 H new ATOM 0 HB3 GLN A 130 61.083 0.072 -9.135 1.00 0.00 H new ATOM 0 HG2 GLN A 130 60.619 -1.438 -7.211 1.00 0.00 H new ATOM 0 HG3 GLN A 130 61.692 -0.500 -6.190 1.00 0.00 H new ATOM 0 HE21 GLN A 130 58.841 -0.897 -5.662 1.00 0.00 H new ATOM 0 HE22 GLN A 130 58.076 0.693 -5.756 1.00 0.00 H new ATOM 543 N SER A 131 64.413 0.575 -9.859 1.00 0.00 N ATOM 544 CA SER A 131 65.028 1.077 -11.087 1.00 0.00 C ATOM 545 C SER A 131 66.317 0.335 -11.461 1.00 0.00 C ATOM 546 O SER A 131 67.101 0.842 -12.263 1.00 0.00 O ATOM 547 CB SER A 131 65.331 2.566 -10.931 1.00 0.00 C ATOM 548 OG SER A 131 64.108 3.287 -10.862 1.00 0.00 O ATOM 0 H SER A 131 64.671 1.085 -9.014 1.00 0.00 H new ATOM 0 HA SER A 131 64.314 0.907 -11.893 1.00 0.00 H new ATOM 0 HB2 SER A 131 65.919 2.737 -10.029 1.00 0.00 H new ATOM 0 HB3 SER A 131 65.928 2.918 -11.773 1.00 0.00 H new ATOM 0 HG SER A 131 63.821 3.356 -9.927 1.00 0.00 H new ATOM 554 N ASN A 132 66.549 -0.848 -10.890 1.00 0.00 N ATOM 555 CA ASN A 132 67.712 -1.650 -11.257 1.00 0.00 C ATOM 556 C ASN A 132 69.008 -0.902 -10.940 1.00 0.00 C ATOM 557 O ASN A 132 69.900 -0.776 -11.782 1.00 0.00 O ATOM 558 CB ASN A 132 67.646 -2.010 -12.745 1.00 0.00 C ATOM 559 CG ASN A 132 66.341 -2.739 -13.047 1.00 0.00 C ATOM 560 OD1 ASN A 132 65.812 -3.447 -12.191 1.00 0.00 O ATOM 561 ND2 ASN A 132 65.788 -2.608 -14.222 1.00 0.00 N ATOM 0 H ASN A 132 65.951 -1.267 -10.178 1.00 0.00 H new ATOM 0 HA ASN A 132 67.703 -2.569 -10.671 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.716 -1.106 -13.350 1.00 0.00 H new ATOM 0 HB3 ASN A 132 68.494 -2.639 -13.013 1.00 0.00 H new ATOM 0 HD21 ASN A 132 64.916 -3.093 -14.432 1.00 0.00 H new ATOM 0 HD22 ASN A 132 66.228 -2.021 -14.930 1.00 0.00 H new ATOM 568 N TYR A 133 69.109 -0.410 -9.708 1.00 0.00 N ATOM 569 CA TYR A 133 70.316 0.285 -9.261 1.00 0.00 C ATOM 570 C TYR A 133 70.887 -0.354 -7.981 1.00 0.00 C ATOM 571 O TYR A 133 71.271 0.356 -7.044 1.00 0.00 O ATOM 572 CB TYR A 133 69.973 1.757 -8.997 1.00 0.00 C ATOM 573 CG TYR A 133 69.856 2.603 -10.242 1.00 0.00 C ATOM 574 CD1 TYR A 133 70.992 3.228 -10.769 1.00 0.00 C ATOM 575 CD2 TYR A 133 68.612 2.777 -10.860 1.00 0.00 C ATOM 576 CE1 TYR A 133 70.885 4.022 -11.916 1.00 0.00 C ATOM 577 CE2 TYR A 133 68.503 3.573 -12.006 1.00 0.00 C ATOM 578 CZ TYR A 133 69.640 4.194 -12.535 1.00 0.00 C ATOM 579 OH TYR A 133 69.534 4.979 -13.665 1.00 0.00 O ATOM 0 H TYR A 133 68.375 -0.478 -9.004 1.00 0.00 H new ATOM 0 HA TYR A 133 71.074 0.207 -10.041 1.00 0.00 H new ATOM 0 HB2 TYR A 133 69.032 1.806 -8.450 1.00 0.00 H new ATOM 0 HB3 TYR A 133 70.740 2.186 -8.352 1.00 0.00 H new ATOM 0 HD1 TYR A 133 71.951 3.097 -10.290 1.00 0.00 H new ATOM 0 HD2 TYR A 133 67.735 2.296 -10.452 1.00 0.00 H new ATOM 0 HE1 TYR A 133 71.762 4.502 -12.324 1.00 0.00 H new ATOM 0 HE2 TYR A 133 67.543 3.708 -12.481 1.00 0.00 H new ATOM 0 HH TYR A 133 68.602 4.992 -13.968 1.00 0.00 H new ATOM 589 N PRO A 134 71.054 -1.662 -7.937 1.00 0.00 N ATOM 590 CA PRO A 134 71.499 -2.344 -6.680 1.00 0.00 C ATOM 591 C PRO A 134 72.830 -1.789 -6.177 1.00 0.00 C ATOM 592 O PRO A 134 73.021 -1.599 -4.977 1.00 0.00 O ATOM 593 CB PRO A 134 71.617 -3.825 -7.056 1.00 0.00 C ATOM 594 CG PRO A 134 71.691 -3.859 -8.545 1.00 0.00 C ATOM 595 CD PRO A 134 70.927 -2.633 -9.041 1.00 0.00 C ATOM 0 HA PRO A 134 70.795 -2.184 -5.863 1.00 0.00 H new ATOM 0 HB2 PRO A 134 72.505 -4.273 -6.610 1.00 0.00 H new ATOM 0 HB3 PRO A 134 70.758 -4.390 -6.694 1.00 0.00 H new ATOM 0 HG2 PRO A 134 72.727 -3.835 -8.883 1.00 0.00 H new ATOM 0 HG3 PRO A 134 71.250 -4.776 -8.935 1.00 0.00 H new ATOM 0 HD2 PRO A 134 71.354 -2.244 -9.966 1.00 0.00 H new ATOM 0 HD3 PRO A 134 69.883 -2.869 -9.246 1.00 0.00 H new ATOM 603 N GLN A 135 73.742 -1.507 -7.102 1.00 0.00 N ATOM 604 CA GLN A 135 75.053 -0.978 -6.733 1.00 0.00 C ATOM 605 C GLN A 135 74.913 0.293 -5.894 1.00 0.00 C ATOM 606 O GLN A 135 75.651 0.494 -4.930 1.00 0.00 O ATOM 607 CB GLN A 135 75.863 -0.676 -7.998 1.00 0.00 C ATOM 608 CG GLN A 135 77.281 -0.243 -7.618 1.00 0.00 C ATOM 609 CD GLN A 135 78.092 0.050 -8.875 1.00 0.00 C ATOM 610 OE1 GLN A 135 77.864 -0.564 -9.919 1.00 0.00 O ATOM 611 NE2 GLN A 135 79.022 0.965 -8.843 1.00 0.00 N ATOM 0 H GLN A 135 73.601 -1.634 -8.104 1.00 0.00 H new ATOM 0 HA GLN A 135 75.571 -1.729 -6.136 1.00 0.00 H new ATOM 0 HB2 GLN A 135 75.902 -1.560 -8.635 1.00 0.00 H new ATOM 0 HB3 GLN A 135 75.375 0.111 -8.573 1.00 0.00 H new ATOM 0 HG2 GLN A 135 77.242 0.644 -6.986 1.00 0.00 H new ATOM 0 HG3 GLN A 135 77.766 -1.027 -7.037 1.00 0.00 H new ATOM 0 HE21 GLN A 135 79.209 1.472 -7.978 1.00 0.00 H new ATOM 0 HE22 GLN A 135 79.562 1.173 -9.683 1.00 0.00 H new ATOM 620 N TYR A 136 73.939 1.131 -6.240 1.00 0.00 N ATOM 621 CA TYR A 136 73.734 2.382 -5.520 1.00 0.00 C ATOM 622 C TYR A 136 73.226 2.100 -4.110 1.00 0.00 C ATOM 623 O TYR A 136 73.684 2.702 -3.140 1.00 0.00 O ATOM 624 CB TYR A 136 72.722 3.253 -6.265 1.00 0.00 C ATOM 625 CG TYR A 136 73.320 4.014 -7.425 1.00 0.00 C ATOM 626 CD1 TYR A 136 74.179 3.364 -8.320 1.00 0.00 C ATOM 627 CD2 TYR A 136 73.013 5.367 -7.606 1.00 0.00 C ATOM 628 CE1 TYR A 136 74.731 4.070 -9.396 1.00 0.00 C ATOM 629 CE2 TYR A 136 73.565 6.073 -8.682 1.00 0.00 C ATOM 630 CZ TYR A 136 74.425 5.424 -9.577 1.00 0.00 C ATOM 631 OH TYR A 136 74.969 6.118 -10.638 1.00 0.00 O ATOM 0 H TYR A 136 73.286 0.968 -7.007 1.00 0.00 H new ATOM 0 HA TYR A 136 74.686 2.909 -5.457 1.00 0.00 H new ATOM 0 HB2 TYR A 136 71.913 2.622 -6.633 1.00 0.00 H new ATOM 0 HB3 TYR A 136 72.280 3.962 -5.565 1.00 0.00 H new ATOM 0 HD1 TYR A 136 74.415 2.319 -8.180 1.00 0.00 H new ATOM 0 HD2 TYR A 136 72.350 5.867 -6.916 1.00 0.00 H new ATOM 0 HE1 TYR A 136 75.393 3.569 -10.087 1.00 0.00 H new ATOM 0 HE2 TYR A 136 73.328 7.117 -8.822 1.00 0.00 H new ATOM 0 HH TYR A 136 74.654 7.046 -10.618 1.00 0.00 H new ATOM 641 N VAL A 137 72.303 1.147 -3.999 1.00 0.00 N ATOM 642 CA VAL A 137 71.747 0.770 -2.701 1.00 0.00 C ATOM 643 C VAL A 137 72.868 0.377 -1.741 1.00 0.00 C ATOM 644 O VAL A 137 72.866 0.769 -0.576 1.00 0.00 O ATOM 645 CB VAL A 137 70.767 -0.398 -2.878 1.00 0.00 C ATOM 646 CG1 VAL A 137 70.145 -0.797 -1.534 1.00 0.00 C ATOM 647 CG2 VAL A 137 69.645 0.024 -3.830 1.00 0.00 C ATOM 0 H VAL A 137 71.925 0.623 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 137 71.213 1.622 -2.281 1.00 0.00 H new ATOM 0 HB VAL A 137 71.315 -1.249 -3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 137 69.454 -1.626 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 137 70.933 -1.101 -0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 137 69.606 0.053 -1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 137 68.947 -0.803 -3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 137 69.118 0.883 -3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 137 70.070 0.293 -4.797 1.00 0.00 H new ATOM 657 N VAL A 138 73.834 -0.378 -2.247 1.00 0.00 N ATOM 658 CA VAL A 138 74.928 -0.857 -1.410 1.00 0.00 C ATOM 659 C VAL A 138 75.794 0.307 -0.937 1.00 0.00 C ATOM 660 O VAL A 138 76.015 0.479 0.260 1.00 0.00 O ATOM 661 CB VAL A 138 75.783 -1.872 -2.184 1.00 0.00 C ATOM 662 CG1 VAL A 138 76.883 -2.439 -1.281 1.00 0.00 C ATOM 663 CG2 VAL A 138 74.900 -3.026 -2.671 1.00 0.00 C ATOM 0 H VAL A 138 73.884 -0.670 -3.223 1.00 0.00 H new ATOM 0 HA VAL A 138 74.502 -1.348 -0.535 1.00 0.00 H new ATOM 0 HB VAL A 138 76.238 -1.365 -3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 138 77.481 -3.157 -1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 138 77.522 -1.628 -0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 138 76.430 -2.937 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 138 75.510 -3.744 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 138 74.441 -3.519 -1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 138 74.121 -2.636 -3.326 1.00 0.00 H new ATOM 673 N SER A 139 76.257 1.125 -1.876 1.00 0.00 N ATOM 674 CA SER A 139 77.157 2.227 -1.540 1.00 0.00 C ATOM 675 C SER A 139 76.556 3.122 -0.458 1.00 0.00 C ATOM 676 O SER A 139 77.262 3.606 0.427 1.00 0.00 O ATOM 677 CB SER A 139 77.446 3.060 -2.788 1.00 0.00 C ATOM 678 OG SER A 139 77.957 2.212 -3.808 1.00 0.00 O ATOM 0 H SER A 139 76.028 1.049 -2.867 1.00 0.00 H new ATOM 0 HA SER A 139 78.084 1.800 -1.158 1.00 0.00 H new ATOM 0 HB2 SER A 139 76.536 3.552 -3.130 1.00 0.00 H new ATOM 0 HB3 SER A 139 78.166 3.845 -2.557 1.00 0.00 H new ATOM 0 HG SER A 139 77.215 1.755 -4.256 1.00 0.00 H new ATOM 684 N ARG A 140 75.247 3.338 -0.539 1.00 0.00 N ATOM 685 CA ARG A 140 74.555 4.194 0.418 1.00 0.00 C ATOM 686 C ARG A 140 74.434 3.523 1.782 1.00 0.00 C ATOM 687 O ARG A 140 74.863 4.083 2.788 1.00 0.00 O ATOM 688 CB ARG A 140 73.161 4.532 -0.115 1.00 0.00 C ATOM 689 CG ARG A 140 72.535 5.638 0.737 1.00 0.00 C ATOM 690 CD ARG A 140 71.111 5.904 0.247 1.00 0.00 C ATOM 691 NE ARG A 140 70.544 7.070 0.933 1.00 0.00 N ATOM 692 CZ ARG A 140 70.704 8.331 0.501 1.00 0.00 C ATOM 693 NH1 ARG A 140 71.412 8.621 -0.564 1.00 0.00 N ATOM 694 NH2 ARG A 140 70.138 9.300 1.167 1.00 0.00 N ATOM 0 H ARG A 140 74.645 2.933 -1.256 1.00 0.00 H new ATOM 0 HA ARG A 140 75.139 5.106 0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 140 73.227 4.854 -1.154 1.00 0.00 H new ATOM 0 HB3 ARG A 140 72.529 3.644 -0.096 1.00 0.00 H new ATOM 0 HG2 ARG A 140 72.522 5.342 1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 140 73.132 6.548 0.669 1.00 0.00 H new ATOM 0 HD2 ARG A 140 71.116 6.074 -0.830 1.00 0.00 H new ATOM 0 HD3 ARG A 140 70.488 5.028 0.428 1.00 0.00 H new ATOM 0 HE ARG A 140 70.000 6.915 1.782 1.00 0.00 H new ATOM 0 HH11 ARG A 140 71.864 7.876 -1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 140 71.511 9.592 -0.862 1.00 0.00 H new ATOM 0 HH21 ARG A 140 69.586 9.092 1.999 1.00 0.00 H new ATOM 0 HH22 ARG A 140 70.247 10.265 0.855 1.00 0.00 H new ATOM 708 N PHE A 141 73.889 2.312 1.813 1.00 0.00 N ATOM 709 CA PHE A 141 73.658 1.623 3.080 1.00 0.00 C ATOM 710 C PHE A 141 74.947 1.481 3.892 1.00 0.00 C ATOM 711 O PHE A 141 74.913 1.484 5.122 1.00 0.00 O ATOM 712 CB PHE A 141 73.060 0.240 2.818 1.00 0.00 C ATOM 713 CG PHE A 141 72.711 -0.512 4.080 1.00 0.00 C ATOM 714 CD1 PHE A 141 71.477 -0.293 4.708 1.00 0.00 C ATOM 715 CD2 PHE A 141 73.620 -1.427 4.626 1.00 0.00 C ATOM 716 CE1 PHE A 141 71.154 -0.988 5.879 1.00 0.00 C ATOM 717 CE2 PHE A 141 73.296 -2.122 5.797 1.00 0.00 C ATOM 718 CZ PHE A 141 72.064 -1.903 6.423 1.00 0.00 C ATOM 0 H PHE A 141 73.601 1.790 0.985 1.00 0.00 H new ATOM 0 HA PHE A 141 72.960 2.225 3.662 1.00 0.00 H new ATOM 0 HB2 PHE A 141 72.162 0.350 2.210 1.00 0.00 H new ATOM 0 HB3 PHE A 141 73.769 -0.350 2.237 1.00 0.00 H new ATOM 0 HD1 PHE A 141 70.775 0.412 4.288 1.00 0.00 H new ATOM 0 HD2 PHE A 141 74.571 -1.596 4.143 1.00 0.00 H new ATOM 0 HE1 PHE A 141 70.203 -0.819 6.363 1.00 0.00 H new ATOM 0 HE2 PHE A 141 73.997 -2.828 6.217 1.00 0.00 H new ATOM 0 HZ PHE A 141 71.815 -2.440 7.326 1.00 0.00 H new ATOM 728 N GLU A 142 76.078 1.354 3.205 1.00 0.00 N ATOM 729 CA GLU A 142 77.359 1.147 3.877 1.00 0.00 C ATOM 730 C GLU A 142 77.931 2.425 4.500 1.00 0.00 C ATOM 731 O GLU A 142 78.871 2.343 5.289 1.00 0.00 O ATOM 732 CB GLU A 142 78.371 0.576 2.883 1.00 0.00 C ATOM 733 CG GLU A 142 77.933 -0.827 2.453 1.00 0.00 C ATOM 734 CD GLU A 142 78.957 -1.467 1.514 1.00 0.00 C ATOM 735 OE1 GLU A 142 79.739 -0.746 0.913 1.00 0.00 O ATOM 736 OE2 GLU A 142 78.945 -2.683 1.409 1.00 0.00 O ATOM 0 H GLU A 142 76.135 1.390 2.187 1.00 0.00 H new ATOM 0 HA GLU A 142 77.175 0.448 4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 142 78.448 1.227 2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 142 79.360 0.535 3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 142 77.802 -1.455 3.334 1.00 0.00 H new ATOM 0 HG3 GLU A 142 76.965 -0.771 1.955 1.00 0.00 H new ATOM 743 N THR A 143 77.390 3.597 4.158 1.00 0.00 N ATOM 744 CA THR A 143 77.886 4.849 4.722 1.00 0.00 C ATOM 745 C THR A 143 77.229 5.116 6.084 1.00 0.00 C ATOM 746 O THR A 143 76.055 5.486 6.111 1.00 0.00 O ATOM 747 CB THR A 143 77.546 6.002 3.775 1.00 0.00 C ATOM 748 OG1 THR A 143 77.955 5.665 2.457 1.00 0.00 O ATOM 749 CG2 THR A 143 78.273 7.270 4.230 1.00 0.00 C ATOM 0 H THR A 143 76.617 3.703 3.501 1.00 0.00 H new ATOM 0 HA THR A 143 78.966 4.773 4.851 1.00 0.00 H new ATOM 0 HB THR A 143 76.471 6.179 3.788 1.00 0.00 H new ATOM 0 HG1 THR A 143 77.346 4.991 2.088 1.00 0.00 H new ATOM 0 HG21 THR A 143 78.030 8.091 3.555 1.00 0.00 H new ATOM 0 HG22 THR A 143 77.958 7.527 5.241 1.00 0.00 H new ATOM 0 HG23 THR A 143 79.349 7.097 4.218 1.00 0.00 H new ATOM 757 N PRO A 144 77.924 4.988 7.201 1.00 0.00 N ATOM 758 CA PRO A 144 77.270 5.129 8.545 1.00 0.00 C ATOM 759 C PRO A 144 76.572 6.477 8.748 1.00 0.00 C ATOM 760 O PRO A 144 75.776 6.630 9.674 1.00 0.00 O ATOM 761 CB PRO A 144 78.412 4.955 9.554 1.00 0.00 C ATOM 762 CG PRO A 144 79.510 4.286 8.803 1.00 0.00 C ATOM 763 CD PRO A 144 79.372 4.749 7.357 1.00 0.00 C ATOM 0 HA PRO A 144 76.476 4.391 8.660 1.00 0.00 H new ATOM 0 HB2 PRO A 144 78.737 5.918 9.949 1.00 0.00 H new ATOM 0 HB3 PRO A 144 78.095 4.352 10.405 1.00 0.00 H new ATOM 0 HG2 PRO A 144 80.484 4.560 9.209 1.00 0.00 H new ATOM 0 HG3 PRO A 144 79.428 3.201 8.875 1.00 0.00 H new ATOM 0 HD2 PRO A 144 79.949 5.654 7.170 1.00 0.00 H new ATOM 0 HD3 PRO A 144 79.730 3.993 6.659 1.00 0.00 H new ATOM 771 N GLY A 145 76.866 7.450 7.890 1.00 0.00 N ATOM 772 CA GLY A 145 76.291 8.786 8.034 1.00 0.00 C ATOM 773 C GLY A 145 74.791 8.826 7.729 1.00 0.00 C ATOM 774 O GLY A 145 74.089 9.725 8.192 1.00 0.00 O ATOM 0 H GLY A 145 77.494 7.341 7.093 1.00 0.00 H new ATOM 0 HA2 GLY A 145 76.459 9.141 9.051 1.00 0.00 H new ATOM 0 HA3 GLY A 145 76.811 9.473 7.367 1.00 0.00 H new ATOM 778 N ILE A 146 74.295 7.862 6.955 1.00 0.00 N ATOM 779 CA ILE A 146 72.894 7.864 6.546 1.00 0.00 C ATOM 780 C ILE A 146 72.086 6.905 7.418 1.00 0.00 C ATOM 781 O ILE A 146 72.549 5.819 7.765 1.00 0.00 O ATOM 782 CB ILE A 146 72.781 7.474 5.065 1.00 0.00 C ATOM 783 CG1 ILE A 146 73.603 8.450 4.216 1.00 0.00 C ATOM 784 CG2 ILE A 146 71.317 7.535 4.618 1.00 0.00 C ATOM 785 CD1 ILE A 146 73.722 7.923 2.786 1.00 0.00 C ATOM 0 H ILE A 146 74.839 7.075 6.601 1.00 0.00 H new ATOM 0 HA ILE A 146 72.488 8.867 6.675 1.00 0.00 H new ATOM 0 HB ILE A 146 73.158 6.459 4.936 1.00 0.00 H new ATOM 0 HG12 ILE A 146 73.129 9.431 4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 146 74.595 8.577 4.650 1.00 0.00 H new ATOM 0 HG21 ILE A 146 71.246 7.257 3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 146 70.725 6.844 5.217 1.00 0.00 H new ATOM 0 HG23 ILE A 146 70.938 8.548 4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 146 74.307 8.622 2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 146 74.216 6.952 2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 146 72.727 7.820 2.352 1.00 0.00 H new ATOM 797 N ALA A 147 70.872 7.324 7.761 1.00 0.00 N ATOM 798 CA ALA A 147 70.012 6.547 8.645 1.00 0.00 C ATOM 799 C ALA A 147 69.667 5.186 8.046 1.00 0.00 C ATOM 800 O ALA A 147 69.729 4.980 6.830 1.00 0.00 O ATOM 801 CB ALA A 147 68.723 7.325 8.925 1.00 0.00 C ATOM 0 H ALA A 147 70.461 8.200 7.439 1.00 0.00 H new ATOM 0 HA ALA A 147 70.556 6.377 9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 147 68.082 6.742 9.586 1.00 0.00 H new ATOM 0 HB2 ALA A 147 68.967 8.274 9.401 1.00 0.00 H new ATOM 0 HB3 ALA A 147 68.201 7.514 7.987 1.00 0.00 H new ATOM 807 N SER A 148 69.333 4.248 8.928 1.00 0.00 N ATOM 808 CA SER A 148 68.907 2.923 8.499 1.00 0.00 C ATOM 809 C SER A 148 67.781 2.409 9.392 1.00 0.00 C ATOM 810 O SER A 148 67.819 2.560 10.613 1.00 0.00 O ATOM 811 CB SER A 148 70.087 1.953 8.550 1.00 0.00 C ATOM 812 OG SER A 148 70.395 1.665 9.908 1.00 0.00 O ATOM 0 H SER A 148 69.349 4.382 9.939 1.00 0.00 H new ATOM 0 HA SER A 148 68.540 2.992 7.475 1.00 0.00 H new ATOM 0 HB2 SER A 148 69.842 1.034 8.017 1.00 0.00 H new ATOM 0 HB3 SER A 148 70.953 2.389 8.052 1.00 0.00 H new ATOM 0 HG SER A 148 71.150 1.042 9.947 1.00 0.00 H new ATOM 818 N SER A 149 66.784 1.798 8.763 1.00 0.00 N ATOM 819 CA SER A 149 65.660 1.207 9.481 1.00 0.00 C ATOM 820 C SER A 149 65.510 -0.259 9.070 1.00 0.00 C ATOM 821 O SER A 149 66.078 -0.660 8.054 1.00 0.00 O ATOM 822 CB SER A 149 64.384 1.977 9.139 1.00 0.00 C ATOM 823 OG SER A 149 64.065 1.766 7.770 1.00 0.00 O ATOM 0 H SER A 149 66.731 1.698 7.749 1.00 0.00 H new ATOM 0 HA SER A 149 65.837 1.261 10.555 1.00 0.00 H new ATOM 0 HB2 SER A 149 63.562 1.643 9.772 1.00 0.00 H new ATOM 0 HB3 SER A 149 64.523 3.041 9.333 1.00 0.00 H new ATOM 0 HG SER A 149 64.804 2.083 7.209 1.00 0.00 H new ATOM 829 N PRO A 150 64.787 -1.072 9.813 1.00 0.00 N ATOM 830 CA PRO A 150 64.589 -2.507 9.435 1.00 0.00 C ATOM 831 C PRO A 150 64.234 -2.679 7.958 1.00 0.00 C ATOM 832 O PRO A 150 64.801 -3.524 7.265 1.00 0.00 O ATOM 833 CB PRO A 150 63.440 -2.965 10.334 1.00 0.00 C ATOM 834 CG PRO A 150 63.544 -2.113 11.551 1.00 0.00 C ATOM 835 CD PRO A 150 64.104 -0.766 11.089 1.00 0.00 C ATOM 0 HA PRO A 150 65.499 -3.091 9.569 1.00 0.00 H new ATOM 0 HB2 PRO A 150 62.476 -2.835 9.841 1.00 0.00 H new ATOM 0 HB3 PRO A 150 63.530 -4.022 10.583 1.00 0.00 H new ATOM 0 HG2 PRO A 150 62.569 -1.987 12.022 1.00 0.00 H new ATOM 0 HG3 PRO A 150 64.199 -2.572 12.292 1.00 0.00 H new ATOM 0 HD2 PRO A 150 63.310 -0.032 10.949 1.00 0.00 H new ATOM 0 HD3 PRO A 150 64.797 -0.351 11.821 1.00 0.00 H new ATOM 843 N GLU A 151 63.319 -1.846 7.474 1.00 0.00 N ATOM 844 CA GLU A 151 62.935 -1.892 6.068 1.00 0.00 C ATOM 845 C GLU A 151 64.153 -1.655 5.179 1.00 0.00 C ATOM 846 O GLU A 151 64.366 -2.365 4.197 1.00 0.00 O ATOM 847 CB GLU A 151 61.870 -0.834 5.773 1.00 0.00 C ATOM 848 CG GLU A 151 60.533 -1.261 6.388 1.00 0.00 C ATOM 849 CD GLU A 151 60.536 -1.052 7.902 1.00 0.00 C ATOM 850 OE1 GLU A 151 61.257 -0.185 8.370 1.00 0.00 O ATOM 851 OE2 GLU A 151 59.813 -1.768 8.575 1.00 0.00 O ATOM 0 H GLU A 151 62.834 -1.139 8.027 1.00 0.00 H new ATOM 0 HA GLU A 151 62.525 -2.879 5.856 1.00 0.00 H new ATOM 0 HB2 GLU A 151 62.178 0.129 6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 151 61.761 -0.704 4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 151 59.722 -0.687 5.939 1.00 0.00 H new ATOM 0 HG3 GLU A 151 60.343 -2.310 6.162 1.00 0.00 H new ATOM 858 N CYS A 152 64.968 -0.670 5.546 1.00 0.00 N ATOM 859 CA CYS A 152 66.159 -0.355 4.764 1.00 0.00 C ATOM 860 C CYS A 152 67.086 -1.563 4.691 1.00 0.00 C ATOM 861 O CYS A 152 67.644 -1.864 3.639 1.00 0.00 O ATOM 862 CB CYS A 152 66.909 0.824 5.384 1.00 0.00 C ATOM 863 SG CYS A 152 65.791 2.239 5.536 1.00 0.00 S ATOM 0 H CYS A 152 64.829 -0.083 6.369 1.00 0.00 H new ATOM 0 HA CYS A 152 65.840 -0.088 3.756 1.00 0.00 H new ATOM 0 HB2 CYS A 152 67.297 0.547 6.364 1.00 0.00 H new ATOM 0 HB3 CYS A 152 67.766 1.089 4.765 1.00 0.00 H new ATOM 0 HG CYS A 152 66.102 3.135 4.647 1.00 0.00 H new ATOM 869 N MET A 153 67.235 -2.263 5.810 1.00 0.00 N ATOM 870 CA MET A 153 68.128 -3.413 5.868 1.00 0.00 C ATOM 871 C MET A 153 67.727 -4.451 4.827 1.00 0.00 C ATOM 872 O MET A 153 68.570 -4.977 4.101 1.00 0.00 O ATOM 873 CB MET A 153 68.083 -4.044 7.262 1.00 0.00 C ATOM 874 CG MET A 153 68.599 -3.048 8.307 1.00 0.00 C ATOM 875 SD MET A 153 69.364 -3.953 9.675 1.00 0.00 S ATOM 876 CE MET A 153 70.855 -4.479 8.795 1.00 0.00 C ATOM 0 H MET A 153 66.752 -2.056 6.684 1.00 0.00 H new ATOM 0 HA MET A 153 69.142 -3.072 5.658 1.00 0.00 H new ATOM 0 HB2 MET A 153 67.062 -4.340 7.503 1.00 0.00 H new ATOM 0 HB3 MET A 153 68.690 -4.949 7.280 1.00 0.00 H new ATOM 0 HG2 MET A 153 69.324 -2.372 7.854 1.00 0.00 H new ATOM 0 HG3 MET A 153 67.778 -2.434 8.677 1.00 0.00 H new ATOM 0 HE1 MET A 153 70.971 -5.559 8.888 1.00 0.00 H new ATOM 0 HE2 MET A 153 70.769 -4.213 7.742 1.00 0.00 H new ATOM 0 HE3 MET A 153 71.725 -3.983 9.225 1.00 0.00 H new ATOM 886 N GLU A 154 66.430 -4.721 4.742 1.00 0.00 N ATOM 887 CA GLU A 154 65.932 -5.695 3.778 1.00 0.00 C ATOM 888 C GLU A 154 66.305 -5.274 2.361 1.00 0.00 C ATOM 889 O GLU A 154 66.799 -6.074 1.568 1.00 0.00 O ATOM 890 CB GLU A 154 64.411 -5.817 3.896 1.00 0.00 C ATOM 891 CG GLU A 154 64.051 -6.429 5.254 1.00 0.00 C ATOM 892 CD GLU A 154 62.542 -6.649 5.382 1.00 0.00 C ATOM 893 OE1 GLU A 154 61.788 -6.007 4.666 1.00 0.00 O ATOM 894 OE2 GLU A 154 62.158 -7.466 6.203 1.00 0.00 O ATOM 0 H GLU A 154 65.712 -4.286 5.321 1.00 0.00 H new ATOM 0 HA GLU A 154 66.388 -6.662 3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 154 63.948 -4.836 3.793 1.00 0.00 H new ATOM 0 HB3 GLU A 154 64.022 -6.439 3.090 1.00 0.00 H new ATOM 0 HG2 GLU A 154 64.571 -7.379 5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 154 64.394 -5.773 6.054 1.00 0.00 H new ATOM 901 N LEU A 155 66.087 -4.001 2.055 1.00 0.00 N ATOM 902 CA LEU A 155 66.395 -3.481 0.727 1.00 0.00 C ATOM 903 C LEU A 155 67.874 -3.678 0.402 1.00 0.00 C ATOM 904 O LEU A 155 68.235 -4.076 -0.706 1.00 0.00 O ATOM 905 CB LEU A 155 66.029 -1.994 0.659 1.00 0.00 C ATOM 906 CG LEU A 155 64.521 -1.821 0.884 1.00 0.00 C ATOM 907 CD1 LEU A 155 64.218 -0.363 1.237 1.00 0.00 C ATOM 908 CD2 LEU A 155 63.746 -2.193 -0.383 1.00 0.00 C ATOM 0 H LEU A 155 65.701 -3.314 2.702 1.00 0.00 H new ATOM 0 HA LEU A 155 65.809 -4.029 -0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 155 66.585 -1.438 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 155 66.311 -1.584 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 155 64.215 -2.476 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 155 63.146 -0.242 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.753 -0.090 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.538 0.283 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 155 62.678 -2.065 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 155 64.059 -1.547 -1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 155 63.949 -3.232 -0.642 1.00 0.00 H new ATOM 920 N TYR A 156 68.727 -3.429 1.387 1.00 0.00 N ATOM 921 CA TYR A 156 70.167 -3.586 1.210 1.00 0.00 C ATOM 922 C TYR A 156 70.501 -5.022 0.818 1.00 0.00 C ATOM 923 O TYR A 156 71.254 -5.266 -0.123 1.00 0.00 O ATOM 924 CB TYR A 156 70.871 -3.217 2.519 1.00 0.00 C ATOM 925 CG TYR A 156 72.367 -3.439 2.516 1.00 0.00 C ATOM 926 CD1 TYR A 156 73.175 -2.802 1.568 1.00 0.00 C ATOM 927 CD2 TYR A 156 72.945 -4.274 3.479 1.00 0.00 C ATOM 928 CE1 TYR A 156 74.562 -3.002 1.582 1.00 0.00 C ATOM 929 CE2 TYR A 156 74.330 -4.476 3.493 1.00 0.00 C ATOM 930 CZ TYR A 156 75.138 -3.838 2.545 1.00 0.00 C ATOM 931 OH TYR A 156 76.504 -4.034 2.559 1.00 0.00 O ATOM 0 H TYR A 156 68.448 -3.117 2.317 1.00 0.00 H new ATOM 0 HA TYR A 156 70.509 -2.928 0.411 1.00 0.00 H new ATOM 0 HB2 TYR A 156 70.673 -2.168 2.739 1.00 0.00 H new ATOM 0 HB3 TYR A 156 70.432 -3.800 3.329 1.00 0.00 H new ATOM 0 HD1 TYR A 156 72.730 -2.156 0.826 1.00 0.00 H new ATOM 0 HD2 TYR A 156 72.321 -4.763 4.213 1.00 0.00 H new ATOM 0 HE1 TYR A 156 75.186 -2.511 0.850 1.00 0.00 H new ATOM 0 HE2 TYR A 156 74.775 -5.123 4.234 1.00 0.00 H new ATOM 0 HH TYR A 156 76.941 -3.331 2.034 1.00 0.00 H new ATOM 941 N MET A 157 69.908 -5.971 1.531 1.00 0.00 N ATOM 942 CA MET A 157 70.158 -7.383 1.270 1.00 0.00 C ATOM 943 C MET A 157 69.823 -7.727 -0.179 1.00 0.00 C ATOM 944 O MET A 157 70.592 -8.401 -0.864 1.00 0.00 O ATOM 945 CB MET A 157 69.304 -8.230 2.219 1.00 0.00 C ATOM 946 CG MET A 157 69.619 -9.716 2.027 1.00 0.00 C ATOM 947 SD MET A 157 68.596 -10.695 3.154 1.00 0.00 S ATOM 948 CE MET A 157 66.992 -10.314 2.408 1.00 0.00 C ATOM 0 H MET A 157 69.253 -5.790 2.292 1.00 0.00 H new ATOM 0 HA MET A 157 71.214 -7.595 1.438 1.00 0.00 H new ATOM 0 HB2 MET A 157 69.498 -7.940 3.252 1.00 0.00 H new ATOM 0 HB3 MET A 157 68.246 -8.047 2.030 1.00 0.00 H new ATOM 0 HG2 MET A 157 69.427 -10.010 0.995 1.00 0.00 H new ATOM 0 HG3 MET A 157 70.675 -9.904 2.220 1.00 0.00 H new ATOM 0 HE1 MET A 157 66.367 -11.207 2.413 1.00 0.00 H new ATOM 0 HE2 MET A 157 66.503 -9.526 2.980 1.00 0.00 H new ATOM 0 HE3 MET A 157 67.139 -9.979 1.381 1.00 0.00 H new ATOM 958 N GLU A 158 68.685 -7.232 -0.647 1.00 0.00 N ATOM 959 CA GLU A 158 68.237 -7.533 -2.002 1.00 0.00 C ATOM 960 C GLU A 158 69.273 -7.077 -3.020 1.00 0.00 C ATOM 961 O GLU A 158 69.640 -7.825 -3.928 1.00 0.00 O ATOM 962 CB GLU A 158 66.903 -6.838 -2.281 1.00 0.00 C ATOM 963 CG GLU A 158 65.825 -7.404 -1.350 1.00 0.00 C ATOM 964 CD GLU A 158 64.452 -6.800 -1.658 1.00 0.00 C ATOM 965 OE1 GLU A 158 64.394 -5.738 -2.260 1.00 0.00 O ATOM 966 OE2 GLU A 158 63.468 -7.409 -1.269 1.00 0.00 O ATOM 0 H GLU A 158 68.060 -6.626 -0.115 1.00 0.00 H new ATOM 0 HA GLU A 158 68.107 -8.612 -2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 158 67.002 -5.763 -2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 158 66.614 -6.987 -3.321 1.00 0.00 H new ATOM 0 HG2 GLU A 158 65.781 -8.488 -1.458 1.00 0.00 H new ATOM 0 HG3 GLU A 158 66.091 -7.197 -0.313 1.00 0.00 H new ATOM 973 N ALA A 159 69.764 -5.853 -2.850 1.00 0.00 N ATOM 974 CA ALA A 159 70.740 -5.307 -3.787 1.00 0.00 C ATOM 975 C ALA A 159 71.981 -6.192 -3.833 1.00 0.00 C ATOM 976 O ALA A 159 72.486 -6.515 -4.907 1.00 0.00 O ATOM 977 CB ALA A 159 71.134 -3.887 -3.381 1.00 0.00 C ATOM 0 H ALA A 159 69.507 -5.229 -2.085 1.00 0.00 H new ATOM 0 HA ALA A 159 70.286 -5.278 -4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 159 71.863 -3.495 -4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 159 70.249 -3.250 -3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 159 71.571 -3.902 -2.383 1.00 0.00 H new ATOM 983 N LEU A 160 72.447 -6.617 -2.663 1.00 0.00 N ATOM 984 CA LEU A 160 73.649 -7.440 -2.583 1.00 0.00 C ATOM 985 C LEU A 160 73.498 -8.697 -3.432 1.00 0.00 C ATOM 986 O LEU A 160 74.419 -9.095 -4.142 1.00 0.00 O ATOM 987 CB LEU A 160 73.917 -7.850 -1.133 1.00 0.00 C ATOM 988 CG LEU A 160 74.235 -6.617 -0.286 1.00 0.00 C ATOM 989 CD1 LEU A 160 74.310 -7.020 1.189 1.00 0.00 C ATOM 990 CD2 LEU A 160 75.580 -6.031 -0.722 1.00 0.00 C ATOM 0 H LEU A 160 72.015 -6.407 -1.763 1.00 0.00 H new ATOM 0 HA LEU A 160 74.485 -6.849 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 160 73.047 -8.365 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 160 74.750 -8.552 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 160 73.452 -5.871 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 160 74.537 -6.143 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 160 73.353 -7.439 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 160 75.094 -7.766 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 160 75.807 -5.152 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 160 76.363 -6.777 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 160 75.529 -5.746 -1.773 1.00 0.00 H new ATOM 1002 N GLN A 161 72.328 -9.318 -3.343 1.00 0.00 N ATOM 1003 CA GLN A 161 72.063 -10.526 -4.112 1.00 0.00 C ATOM 1004 C GLN A 161 72.202 -10.243 -5.603 1.00 0.00 C ATOM 1005 O GLN A 161 72.880 -10.970 -6.326 1.00 0.00 O ATOM 1006 CB GLN A 161 70.651 -11.036 -3.816 1.00 0.00 C ATOM 1007 CG GLN A 161 70.559 -11.463 -2.348 1.00 0.00 C ATOM 1008 CD GLN A 161 69.134 -11.892 -2.011 1.00 0.00 C ATOM 1009 OE1 GLN A 161 68.183 -11.489 -2.683 1.00 0.00 O ATOM 1010 NE2 GLN A 161 68.927 -12.693 -1.002 1.00 0.00 N ATOM 0 H GLN A 161 71.556 -9.009 -2.753 1.00 0.00 H new ATOM 0 HA GLN A 161 72.788 -11.287 -3.825 1.00 0.00 H new ATOM 0 HB2 GLN A 161 69.920 -10.255 -4.025 1.00 0.00 H new ATOM 0 HB3 GLN A 161 70.413 -11.878 -4.466 1.00 0.00 H new ATOM 0 HG2 GLN A 161 71.249 -12.285 -2.157 1.00 0.00 H new ATOM 0 HG3 GLN A 161 70.860 -10.638 -1.702 1.00 0.00 H new ATOM 0 HE21 GLN A 161 69.714 -13.027 -0.446 1.00 0.00 H new ATOM 0 HE22 GLN A 161 67.978 -12.986 -0.769 1.00 0.00 H new ATOM 1019 N ARG A 162 71.606 -9.143 -6.045 1.00 0.00 N ATOM 1020 CA ARG A 162 71.606 -8.800 -7.463 1.00 0.00 C ATOM 1021 C ARG A 162 73.028 -8.692 -8.007 1.00 0.00 C ATOM 1022 O ARG A 162 73.310 -9.137 -9.120 1.00 0.00 O ATOM 1023 CB ARG A 162 70.880 -7.468 -7.677 1.00 0.00 C ATOM 1024 CG ARG A 162 69.419 -7.584 -7.220 1.00 0.00 C ATOM 1025 CD ARG A 162 68.534 -6.643 -8.043 1.00 0.00 C ATOM 1026 NE ARG A 162 68.434 -7.122 -9.425 1.00 0.00 N ATOM 1027 CZ ARG A 162 67.387 -6.863 -10.224 1.00 0.00 C ATOM 1028 NH1 ARG A 162 66.362 -6.148 -9.824 1.00 0.00 N ATOM 1029 NH2 ARG A 162 67.390 -7.338 -11.439 1.00 0.00 N ATOM 0 H ARG A 162 71.119 -8.476 -5.447 1.00 0.00 H new ATOM 0 HA ARG A 162 71.089 -9.596 -8.000 1.00 0.00 H new ATOM 0 HB2 ARG A 162 71.382 -6.678 -7.119 1.00 0.00 H new ATOM 0 HB3 ARG A 162 70.919 -7.189 -8.730 1.00 0.00 H new ATOM 0 HG2 ARG A 162 69.075 -8.612 -7.334 1.00 0.00 H new ATOM 0 HG3 ARG A 162 69.340 -7.337 -6.161 1.00 0.00 H new ATOM 0 HD2 ARG A 162 67.541 -6.584 -7.598 1.00 0.00 H new ATOM 0 HD3 ARG A 162 68.950 -5.636 -8.029 1.00 0.00 H new ATOM 0 HE ARG A 162 69.200 -7.682 -9.799 1.00 0.00 H new ATOM 0 HH11 ARG A 162 66.343 -5.768 -8.877 1.00 0.00 H new ATOM 0 HH12 ARG A 162 65.584 -5.972 -10.460 1.00 0.00 H new ATOM 0 HH21 ARG A 162 68.179 -7.895 -11.767 1.00 0.00 H new ATOM 0 HH22 ARG A 162 66.603 -7.152 -12.061 1.00 0.00 H new ATOM 1043 N ILE A 163 73.921 -8.099 -7.221 1.00 0.00 N ATOM 1044 CA ILE A 163 75.290 -7.865 -7.684 1.00 0.00 C ATOM 1045 C ILE A 163 76.243 -9.032 -7.390 1.00 0.00 C ATOM 1046 O ILE A 163 77.460 -8.874 -7.487 1.00 0.00 O ATOM 1047 CB ILE A 163 75.843 -6.579 -7.064 1.00 0.00 C ATOM 1048 CG1 ILE A 163 75.792 -6.673 -5.537 1.00 0.00 C ATOM 1049 CG2 ILE A 163 74.996 -5.393 -7.532 1.00 0.00 C ATOM 1050 CD1 ILE A 163 76.555 -5.495 -4.926 1.00 0.00 C ATOM 0 H ILE A 163 73.729 -7.775 -6.273 1.00 0.00 H new ATOM 0 HA ILE A 163 75.234 -7.770 -8.768 1.00 0.00 H new ATOM 0 HB ILE A 163 76.878 -6.441 -7.377 1.00 0.00 H new ATOM 0 HG12 ILE A 163 74.757 -6.665 -5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 163 76.230 -7.615 -5.205 1.00 0.00 H new ATOM 0 HG21 ILE A 163 75.384 -4.473 -7.094 1.00 0.00 H new ATOM 0 HG22 ILE A 163 75.037 -5.323 -8.619 1.00 0.00 H new ATOM 0 HG23 ILE A 163 73.963 -5.537 -7.217 1.00 0.00 H new ATOM 0 HD11 ILE A 163 76.518 -5.562 -3.839 1.00 0.00 H new ATOM 0 HD12 ILE A 163 77.593 -5.523 -5.257 1.00 0.00 H new ATOM 0 HD13 ILE A 163 76.097 -4.559 -5.247 1.00 0.00 H new ATOM 1062 N GLY A 164 75.705 -10.197 -7.035 1.00 0.00 N ATOM 1063 CA GLY A 164 76.523 -11.395 -6.868 1.00 0.00 C ATOM 1064 C GLY A 164 77.454 -11.323 -5.657 1.00 0.00 C ATOM 1065 O GLY A 164 78.483 -12.000 -5.629 1.00 0.00 O ATOM 0 H GLY A 164 74.710 -10.336 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 164 75.870 -12.262 -6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 164 77.119 -11.549 -7.768 1.00 0.00 H new ATOM 1069 N ARG A 165 77.105 -10.512 -4.660 1.00 0.00 N ATOM 1070 CA ARG A 165 77.895 -10.443 -3.434 1.00 0.00 C ATOM 1071 C ARG A 165 77.277 -11.334 -2.361 1.00 0.00 C ATOM 1072 O ARG A 165 76.420 -10.897 -1.594 1.00 0.00 O ATOM 1073 CB ARG A 165 77.978 -9.001 -2.932 1.00 0.00 C ATOM 1074 CG ARG A 165 78.819 -8.174 -3.905 1.00 0.00 C ATOM 1075 CD ARG A 165 79.156 -6.823 -3.271 1.00 0.00 C ATOM 1076 NE ARG A 165 80.245 -6.981 -2.300 1.00 0.00 N ATOM 1077 CZ ARG A 165 81.537 -7.074 -2.647 1.00 0.00 C ATOM 1078 NH1 ARG A 165 81.932 -7.027 -3.897 1.00 0.00 N ATOM 1079 NH2 ARG A 165 82.433 -7.216 -1.708 1.00 0.00 N ATOM 0 H ARG A 165 76.289 -9.900 -4.676 1.00 0.00 H new ATOM 0 HA ARG A 165 78.903 -10.795 -3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 165 76.978 -8.576 -2.846 1.00 0.00 H new ATOM 0 HB3 ARG A 165 78.422 -8.975 -1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 165 79.735 -8.709 -4.155 1.00 0.00 H new ATOM 0 HG3 ARG A 165 78.273 -8.024 -4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 165 79.448 -6.112 -4.044 1.00 0.00 H new ATOM 0 HD3 ARG A 165 78.274 -6.414 -2.778 1.00 0.00 H new ATOM 0 HE ARG A 165 80.007 -7.022 -1.309 1.00 0.00 H new ATOM 0 HH11 ARG A 165 81.247 -6.916 -4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 165 82.924 -7.101 -4.121 1.00 0.00 H new ATOM 0 HH21 ARG A 165 82.145 -7.254 -0.730 1.00 0.00 H new ATOM 0 HH22 ARG A 165 83.421 -7.288 -1.952 1.00 0.00 H new