USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 457 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 22 THR OG1 : rot 89:sc= 1.25 USER MOD Set 1.2: A 32 SER OG : rot -83:sc= 1 USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0.454 USER MOD Set 2.2: A 15 GLN : amide:sc= -3.35! K(o=-2.9!,f=0.075) USER MOD Single : A 7 LYS NZ :NH3+ -169:sc= 1.24 (180deg=1.03) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 120:sc= 1.25 USER MOD Single : A 25 THR OG1 : rot -67:sc= 1.27 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 150:sc= 0.496 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0465) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.79) USER MOD Single : A 39 ASN : amide:sc= -0.707 K(o=-0.71,f=-7.1!) USER MOD Single : A 40 HIS : no HD1:sc= -0.968 K(o=-0.97,f=-0.34) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.64! K(o=-1.6!,f=0.33) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.15 USER MOD Single : A 51 TYR OH : rot -4:sc= 0.0503 USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 0.759 (180deg=0.693) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0442 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0374 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 14.054 -1.916 -9.783 1.00 0.00 N ATOM 2 CA ILE A 6 13.961 -1.831 -8.329 1.00 0.00 C ATOM 3 C ILE A 6 15.093 -2.599 -7.641 1.00 0.00 C ATOM 4 O ILE A 6 15.090 -2.735 -6.421 1.00 0.00 O ATOM 5 CB ILE A 6 12.586 -2.312 -7.851 1.00 0.00 C ATOM 6 CG1 ILE A 6 12.353 -3.777 -8.243 1.00 0.00 C ATOM 7 CG2 ILE A 6 11.497 -1.404 -8.431 1.00 0.00 C ATOM 8 CD1 ILE A 6 11.021 -4.302 -7.708 1.00 0.00 C ATOM 0 HA ILE A 6 14.073 -0.784 -8.047 1.00 0.00 H new ATOM 0 HB ILE A 6 12.547 -2.256 -6.763 1.00 0.00 H new ATOM 0 HG12 ILE A 6 12.371 -3.870 -9.329 1.00 0.00 H new ATOM 0 HG13 ILE A 6 13.167 -4.391 -7.857 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.519 -1.746 -8.091 1.00 0.00 H new ATOM 0 HG22 ILE A 6 11.660 -0.380 -8.095 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.536 -1.439 -9.520 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.893 -5.342 -8.007 1.00 0.00 H new ATOM 0 HD12 ILE A 6 11.013 -4.233 -6.620 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.205 -3.705 -8.115 1.00 0.00 H new ATOM 19 N LYS A 7 16.058 -3.101 -8.422 1.00 0.00 N ATOM 20 CA LYS A 7 17.162 -3.905 -7.916 1.00 0.00 C ATOM 21 C LYS A 7 18.500 -3.203 -8.145 1.00 0.00 C ATOM 22 O LYS A 7 19.529 -3.847 -8.353 1.00 0.00 O ATOM 23 CB LYS A 7 17.117 -5.304 -8.540 1.00 0.00 C ATOM 24 CG LYS A 7 15.796 -5.996 -8.197 1.00 0.00 C ATOM 25 CD LYS A 7 15.777 -7.409 -8.785 1.00 0.00 C ATOM 26 CE LYS A 7 14.456 -8.117 -8.475 1.00 0.00 C ATOM 27 NZ LYS A 7 14.290 -8.354 -7.027 1.00 0.00 N ATOM 0 H LYS A 7 16.089 -2.955 -9.431 1.00 0.00 H new ATOM 0 HA LYS A 7 17.057 -4.022 -6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 7 17.227 -5.231 -9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 7 17.953 -5.900 -8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.670 -6.042 -7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.960 -5.418 -8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.922 -7.359 -9.864 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.607 -7.987 -8.378 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.625 -7.515 -8.843 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.420 -9.068 -9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.485 -8.993 -6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.155 -8.786 -6.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.113 -7.449 -6.545 1.00 0.00 H new ATOM 41 N ARG A 8 18.471 -1.867 -8.108 1.00 0.00 N ATOM 42 CA ARG A 8 19.630 -1.011 -8.343 1.00 0.00 C ATOM 43 C ARG A 8 20.666 -1.168 -7.231 1.00 0.00 C ATOM 44 O ARG A 8 20.394 -1.784 -6.199 1.00 0.00 O ATOM 45 CB ARG A 8 19.178 0.447 -8.394 1.00 0.00 C ATOM 46 CG ARG A 8 18.026 0.680 -9.356 1.00 0.00 C ATOM 47 CD ARG A 8 17.622 2.155 -9.360 1.00 0.00 C ATOM 48 NE ARG A 8 17.351 2.641 -8.002 1.00 0.00 N ATOM 49 CZ ARG A 8 16.182 2.536 -7.366 1.00 0.00 C ATOM 50 NH1 ARG A 8 15.128 1.968 -7.946 1.00 0.00 N ATOM 51 NH2 ARG A 8 16.064 3.003 -6.128 1.00 0.00 N ATOM 0 H ARG A 8 17.619 -1.342 -7.909 1.00 0.00 H new ATOM 0 HA ARG A 8 20.085 -1.305 -9.289 1.00 0.00 H new ATOM 0 HB2 ARG A 8 18.879 0.764 -7.395 1.00 0.00 H new ATOM 0 HB3 ARG A 8 20.021 1.073 -8.688 1.00 0.00 H new ATOM 0 HG2 ARG A 8 18.316 0.373 -10.361 1.00 0.00 H new ATOM 0 HG3 ARG A 8 17.174 0.064 -9.068 1.00 0.00 H new ATOM 0 HD2 ARG A 8 18.417 2.750 -9.809 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.735 2.289 -9.979 1.00 0.00 H new ATOM 0 HE ARG A 8 18.117 3.095 -7.504 1.00 0.00 H new ATOM 0 HH11 ARG A 8 15.204 1.602 -8.895 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.244 1.898 -7.442 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.864 3.439 -5.669 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.174 2.926 -5.637 1.00 0.00 H new ATOM 65 N LYS A 9 21.860 -0.601 -7.439 1.00 0.00 N ATOM 66 CA LYS A 9 22.938 -0.598 -6.459 1.00 0.00 C ATOM 67 C LYS A 9 22.672 0.376 -5.311 1.00 0.00 C ATOM 68 O LYS A 9 23.578 0.679 -4.535 1.00 0.00 O ATOM 69 CB LYS A 9 24.256 -0.297 -7.168 1.00 0.00 C ATOM 70 CG LYS A 9 24.522 -1.343 -8.252 1.00 0.00 C ATOM 71 CD LYS A 9 25.828 -0.996 -8.956 1.00 0.00 C ATOM 72 CE LYS A 9 26.182 -2.088 -9.963 1.00 0.00 C ATOM 73 NZ LYS A 9 27.444 -1.784 -10.662 1.00 0.00 N ATOM 0 H LYS A 9 22.102 -0.126 -8.308 1.00 0.00 H new ATOM 0 HA LYS A 9 22.998 -1.585 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 9 24.220 0.697 -7.613 1.00 0.00 H new ATOM 0 HB3 LYS A 9 25.073 -0.294 -6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 9 24.584 -2.338 -7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 9 23.700 -1.362 -8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 9 25.733 -0.037 -9.465 1.00 0.00 H new ATOM 0 HD3 LYS A 9 26.629 -0.891 -8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 9 26.270 -3.045 -9.449 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.376 -2.190 -10.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 27.658 -2.544 -11.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 27.350 -0.882 -11.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 28.216 -1.711 -9.969 1.00 0.00 H new ATOM 87 N ASP A 10 21.437 0.863 -5.205 1.00 0.00 N ATOM 88 CA ASP A 10 21.010 1.758 -4.139 1.00 0.00 C ATOM 89 C ASP A 10 19.669 1.322 -3.553 1.00 0.00 C ATOM 90 O ASP A 10 19.069 2.024 -2.741 1.00 0.00 O ATOM 91 CB ASP A 10 20.945 3.188 -4.676 1.00 0.00 C ATOM 92 CG ASP A 10 19.850 3.351 -5.729 1.00 0.00 C ATOM 93 OD1 ASP A 10 20.160 3.138 -6.920 1.00 0.00 O ATOM 94 OD2 ASP A 10 18.707 3.685 -5.343 1.00 0.00 O ATOM 0 H ASP A 10 20.696 0.641 -5.870 1.00 0.00 H new ATOM 0 HA ASP A 10 21.737 1.717 -3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 10 20.762 3.877 -3.852 1.00 0.00 H new ATOM 0 HB3 ASP A 10 21.908 3.458 -5.109 1.00 0.00 H new ATOM 99 N ALA A 11 19.207 0.148 -3.981 1.00 0.00 N ATOM 100 CA ALA A 11 17.923 -0.406 -3.591 1.00 0.00 C ATOM 101 C ALA A 11 17.981 -1.048 -2.204 1.00 0.00 C ATOM 102 O ALA A 11 19.055 -1.271 -1.646 1.00 0.00 O ATOM 103 CB ALA A 11 17.472 -1.416 -4.644 1.00 0.00 C ATOM 0 H ALA A 11 19.729 -0.451 -4.620 1.00 0.00 H new ATOM 0 HA ALA A 11 17.197 0.404 -3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.508 -1.836 -4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 11 17.378 -0.918 -5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.208 -2.216 -4.719 1.00 0.00 H new ATOM 109 N SER A 12 16.801 -1.343 -1.654 1.00 0.00 N ATOM 110 CA SER A 12 16.638 -1.946 -0.339 1.00 0.00 C ATOM 111 C SER A 12 15.401 -2.846 -0.369 1.00 0.00 C ATOM 112 O SER A 12 14.651 -2.814 -1.342 1.00 0.00 O ATOM 113 CB SER A 12 16.504 -0.835 0.704 1.00 0.00 C ATOM 114 OG SER A 12 15.148 -0.587 1.012 1.00 0.00 O ATOM 0 H SER A 12 15.915 -1.163 -2.126 1.00 0.00 H new ATOM 0 HA SER A 12 17.502 -2.555 -0.073 1.00 0.00 H new ATOM 0 HB2 SER A 12 17.040 -1.116 1.610 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.968 0.078 0.329 1.00 0.00 H new ATOM 0 HG SER A 12 15.090 0.126 1.682 1.00 0.00 H new ATOM 120 N PRO A 13 15.158 -3.651 0.673 1.00 0.00 N ATOM 121 CA PRO A 13 14.034 -4.571 0.706 1.00 0.00 C ATOM 122 C PRO A 13 12.733 -3.803 0.868 1.00 0.00 C ATOM 123 O PRO A 13 11.679 -4.240 0.409 1.00 0.00 O ATOM 124 CB PRO A 13 14.279 -5.413 1.955 1.00 0.00 C ATOM 125 CG PRO A 13 14.979 -4.418 2.885 1.00 0.00 C ATOM 126 CD PRO A 13 15.915 -3.712 1.906 1.00 0.00 C ATOM 0 HA PRO A 13 13.955 -5.164 -0.205 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.349 -5.785 2.384 1.00 0.00 H new ATOM 0 HB3 PRO A 13 14.903 -6.282 1.744 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.277 -3.729 3.354 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.522 -4.916 3.688 1.00 0.00 H new ATOM 0 HD2 PRO A 13 16.183 -2.716 2.259 1.00 0.00 H new ATOM 0 HD3 PRO A 13 16.845 -4.265 1.775 1.00 0.00 H new ATOM 134 N GLU A 14 12.820 -2.650 1.528 1.00 0.00 N ATOM 135 CA GLU A 14 11.687 -1.771 1.703 1.00 0.00 C ATOM 136 C GLU A 14 11.464 -0.993 0.414 1.00 0.00 C ATOM 137 O GLU A 14 10.333 -0.657 0.082 1.00 0.00 O ATOM 138 CB GLU A 14 11.972 -0.825 2.865 1.00 0.00 C ATOM 139 CG GLU A 14 12.049 -1.564 4.196 1.00 0.00 C ATOM 140 CD GLU A 14 12.233 -0.603 5.367 1.00 0.00 C ATOM 141 OE1 GLU A 14 12.218 0.626 5.122 1.00 0.00 O ATOM 142 OE2 GLU A 14 12.387 -1.104 6.504 1.00 0.00 O ATOM 0 H GLU A 14 13.682 -2.307 1.953 1.00 0.00 H new ATOM 0 HA GLU A 14 10.786 -2.342 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.912 -0.303 2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.190 -0.067 2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.139 -2.145 4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.878 -2.271 4.172 1.00 0.00 H new ATOM 149 N GLN A 15 12.543 -0.705 -0.319 1.00 0.00 N ATOM 150 CA GLN A 15 12.465 0.023 -1.573 1.00 0.00 C ATOM 151 C GLN A 15 11.776 -0.803 -2.636 1.00 0.00 C ATOM 152 O GLN A 15 11.149 -0.263 -3.542 1.00 0.00 O ATOM 153 CB GLN A 15 13.879 0.365 -2.040 1.00 0.00 C ATOM 154 CG GLN A 15 14.086 1.865 -1.929 1.00 0.00 C ATOM 155 CD GLN A 15 14.277 2.263 -0.472 1.00 0.00 C ATOM 156 OE1 GLN A 15 15.333 2.757 -0.084 1.00 0.00 O ATOM 157 NE2 GLN A 15 13.251 2.053 0.347 1.00 0.00 N ATOM 0 H GLN A 15 13.491 -0.973 -0.054 1.00 0.00 H new ATOM 0 HA GLN A 15 11.887 0.933 -1.413 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.614 -0.163 -1.432 1.00 0.00 H new ATOM 0 HB3 GLN A 15 14.024 0.040 -3.070 1.00 0.00 H new ATOM 0 HG2 GLN A 15 14.957 2.163 -2.512 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.227 2.390 -2.347 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.389 1.641 -0.010 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.326 2.304 1.333 1.00 0.00 H new ATOM 166 N GLU A 16 11.891 -2.123 -2.527 1.00 0.00 N ATOM 167 CA GLU A 16 11.283 -2.984 -3.521 1.00 0.00 C ATOM 168 C GLU A 16 9.769 -3.042 -3.340 1.00 0.00 C ATOM 169 O GLU A 16 9.049 -3.431 -4.256 1.00 0.00 O ATOM 170 CB GLU A 16 11.877 -4.392 -3.465 1.00 0.00 C ATOM 171 CG GLU A 16 13.311 -4.383 -3.984 1.00 0.00 C ATOM 172 CD GLU A 16 13.873 -5.795 -4.091 1.00 0.00 C ATOM 173 OE1 GLU A 16 14.392 -6.297 -3.069 1.00 0.00 O ATOM 174 OE2 GLU A 16 13.782 -6.370 -5.200 1.00 0.00 O ATOM 0 H GLU A 16 12.388 -2.605 -1.778 1.00 0.00 H new ATOM 0 HA GLU A 16 11.498 -2.559 -4.502 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.856 -4.762 -2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.271 -5.074 -4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.343 -3.902 -4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.937 -3.790 -3.317 1.00 0.00 H new ATOM 181 N ALA A 17 9.289 -2.650 -2.157 1.00 0.00 N ATOM 182 CA ALA A 17 7.864 -2.598 -1.867 1.00 0.00 C ATOM 183 C ALA A 17 7.334 -1.160 -1.860 1.00 0.00 C ATOM 184 O ALA A 17 6.162 -0.937 -2.158 1.00 0.00 O ATOM 185 CB ALA A 17 7.616 -3.281 -0.522 1.00 0.00 C ATOM 0 H ALA A 17 9.881 -2.361 -1.378 1.00 0.00 H new ATOM 0 HA ALA A 17 7.322 -3.122 -2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.552 -3.251 -0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.947 -4.318 -0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.173 -2.762 0.258 1.00 0.00 H new ATOM 191 N ILE A 18 8.185 -0.185 -1.530 1.00 0.00 N ATOM 192 CA ILE A 18 7.787 1.215 -1.457 1.00 0.00 C ATOM 193 C ILE A 18 7.760 1.846 -2.845 1.00 0.00 C ATOM 194 O ILE A 18 6.912 2.693 -3.115 1.00 0.00 O ATOM 195 CB ILE A 18 8.743 1.958 -0.517 1.00 0.00 C ATOM 196 CG1 ILE A 18 8.453 1.539 0.931 1.00 0.00 C ATOM 197 CG2 ILE A 18 8.596 3.476 -0.658 1.00 0.00 C ATOM 198 CD1 ILE A 18 9.569 1.970 1.884 1.00 0.00 C ATOM 0 H ILE A 18 9.167 -0.348 -1.307 1.00 0.00 H new ATOM 0 HA ILE A 18 6.775 1.287 -1.058 1.00 0.00 H new ATOM 0 HB ILE A 18 9.766 1.695 -0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.510 1.979 1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 18 8.333 0.457 0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.288 3.973 0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.821 3.770 -1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.574 3.767 -0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.324 1.654 2.898 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.508 1.509 1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.672 3.055 1.857 1.00 0.00 H new ATOM 210 N GLU A 19 8.671 1.451 -3.738 1.00 0.00 N ATOM 211 CA GLU A 19 8.703 2.046 -5.067 1.00 0.00 C ATOM 212 C GLU A 19 7.519 1.568 -5.909 1.00 0.00 C ATOM 213 O GLU A 19 7.195 2.204 -6.908 1.00 0.00 O ATOM 214 CB GLU A 19 10.037 1.746 -5.754 1.00 0.00 C ATOM 215 CG GLU A 19 11.166 2.517 -5.063 1.00 0.00 C ATOM 216 CD GLU A 19 12.526 2.270 -5.720 1.00 0.00 C ATOM 217 OE1 GLU A 19 12.552 1.783 -6.873 1.00 0.00 O ATOM 218 OE2 GLU A 19 13.546 2.574 -5.063 1.00 0.00 O ATOM 0 H GLU A 19 9.380 0.738 -3.567 1.00 0.00 H new ATOM 0 HA GLU A 19 8.614 3.127 -4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.241 0.676 -5.719 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.985 2.026 -6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.942 3.583 -5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.213 2.225 -4.014 1.00 0.00 H new ATOM 225 N SER A 20 6.876 0.466 -5.518 1.00 0.00 N ATOM 226 CA SER A 20 5.690 -0.044 -6.183 1.00 0.00 C ATOM 227 C SER A 20 4.423 0.455 -5.498 1.00 0.00 C ATOM 228 O SER A 20 3.364 0.493 -6.122 1.00 0.00 O ATOM 229 CB SER A 20 5.749 -1.566 -6.142 1.00 0.00 C ATOM 230 OG SER A 20 6.835 -2.029 -6.917 1.00 0.00 O ATOM 0 H SER A 20 7.172 -0.099 -4.722 1.00 0.00 H new ATOM 0 HA SER A 20 5.663 0.309 -7.214 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.856 -1.906 -5.112 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.817 -1.985 -6.521 1.00 0.00 H new ATOM 0 HG SER A 20 6.867 -3.008 -6.884 1.00 0.00 H new ATOM 236 N PHE A 21 4.513 0.844 -4.223 1.00 0.00 N ATOM 237 CA PHE A 21 3.379 1.399 -3.499 1.00 0.00 C ATOM 238 C PHE A 21 3.137 2.822 -3.978 1.00 0.00 C ATOM 239 O PHE A 21 2.005 3.209 -4.255 1.00 0.00 O ATOM 240 CB PHE A 21 3.698 1.380 -2.003 1.00 0.00 C ATOM 241 CG PHE A 21 2.535 1.714 -1.089 1.00 0.00 C ATOM 242 CD1 PHE A 21 1.958 2.995 -1.109 1.00 0.00 C ATOM 243 CD2 PHE A 21 2.023 0.748 -0.208 1.00 0.00 C ATOM 244 CE1 PHE A 21 0.862 3.293 -0.291 1.00 0.00 C ATOM 245 CE2 PHE A 21 0.926 1.046 0.612 1.00 0.00 C ATOM 246 CZ PHE A 21 0.339 2.315 0.567 1.00 0.00 C ATOM 0 H PHE A 21 5.369 0.782 -3.672 1.00 0.00 H new ATOM 0 HA PHE A 21 2.479 0.811 -3.679 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.073 0.391 -1.741 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.505 2.088 -1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.363 3.755 -1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.477 -0.231 -0.162 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.419 4.277 -0.321 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.533 0.294 1.280 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.513 2.541 1.191 1.00 0.00 H new ATOM 256 N THR A 22 4.220 3.595 -4.075 1.00 0.00 N ATOM 257 CA THR A 22 4.178 4.979 -4.539 1.00 0.00 C ATOM 258 C THR A 22 3.924 5.040 -6.044 1.00 0.00 C ATOM 259 O THR A 22 3.736 6.122 -6.599 1.00 0.00 O ATOM 260 CB THR A 22 5.504 5.677 -4.244 1.00 0.00 C ATOM 261 OG1 THR A 22 6.065 5.213 -3.034 1.00 0.00 O ATOM 262 CG2 THR A 22 5.318 7.187 -4.091 1.00 0.00 C ATOM 0 H THR A 22 5.157 3.274 -3.831 1.00 0.00 H new ATOM 0 HA THR A 22 3.366 5.480 -4.012 1.00 0.00 H new ATOM 0 HB THR A 22 6.158 5.454 -5.087 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.626 4.430 -3.213 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.281 7.653 -3.882 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.909 7.599 -5.014 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.632 7.388 -3.268 1.00 0.00 H new ATOM 270 N SER A 23 3.917 3.885 -6.715 1.00 0.00 N ATOM 271 CA SER A 23 3.618 3.829 -8.137 1.00 0.00 C ATOM 272 C SER A 23 2.137 3.552 -8.372 1.00 0.00 C ATOM 273 O SER A 23 1.602 3.881 -9.429 1.00 0.00 O ATOM 274 CB SER A 23 4.427 2.718 -8.790 1.00 0.00 C ATOM 275 OG SER A 23 5.785 3.082 -8.886 1.00 0.00 O ATOM 0 H SER A 23 4.116 2.979 -6.291 1.00 0.00 H new ATOM 0 HA SER A 23 3.876 4.794 -8.573 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.331 1.801 -8.208 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.030 2.508 -9.783 1.00 0.00 H new ATOM 0 HG SER A 23 6.332 2.440 -8.386 1.00 0.00 H new ATOM 281 N LEU A 24 1.482 2.943 -7.380 1.00 0.00 N ATOM 282 CA LEU A 24 0.082 2.564 -7.457 1.00 0.00 C ATOM 283 C LEU A 24 -0.781 3.498 -6.613 1.00 0.00 C ATOM 284 O LEU A 24 -2.007 3.459 -6.691 1.00 0.00 O ATOM 285 CB LEU A 24 -0.055 1.114 -7.000 1.00 0.00 C ATOM 286 CG LEU A 24 0.568 0.135 -8.000 1.00 0.00 C ATOM 287 CD1 LEU A 24 0.536 -1.279 -7.428 1.00 0.00 C ATOM 288 CD2 LEU A 24 -0.194 0.131 -9.326 1.00 0.00 C ATOM 0 H LEU A 24 1.921 2.699 -6.492 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.269 2.651 -8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.424 0.993 -6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.110 0.874 -6.867 1.00 0.00 H new ATOM 0 HG LEU A 24 1.594 0.457 -8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.980 -1.971 -8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.101 -1.308 -6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.497 -1.570 -7.235 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.274 -0.574 -10.013 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.228 -0.166 -9.151 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.172 1.130 -9.761 1.00 0.00 H new ATOM 300 N THR A 25 -0.129 4.335 -5.808 1.00 0.00 N ATOM 301 CA THR A 25 -0.770 5.405 -5.065 1.00 0.00 C ATOM 302 C THR A 25 0.009 6.683 -5.355 1.00 0.00 C ATOM 303 O THR A 25 1.055 6.625 -6.001 1.00 0.00 O ATOM 304 CB THR A 25 -0.803 5.105 -3.565 1.00 0.00 C ATOM 305 OG1 THR A 25 0.510 5.107 -3.049 1.00 0.00 O ATOM 306 CG2 THR A 25 -1.466 3.762 -3.271 1.00 0.00 C ATOM 0 H THR A 25 0.878 4.283 -5.655 1.00 0.00 H new ATOM 0 HA THR A 25 -1.809 5.511 -5.376 1.00 0.00 H new ATOM 0 HB THR A 25 -1.394 5.884 -3.083 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.010 4.353 -3.425 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.470 3.586 -2.195 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.491 3.774 -3.640 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.911 2.966 -3.767 1.00 0.00 H new ATOM 314 N LYS A 26 -0.475 7.836 -4.892 1.00 0.00 N ATOM 315 CA LYS A 26 0.193 9.110 -5.133 1.00 0.00 C ATOM 316 C LYS A 26 0.537 9.803 -3.817 1.00 0.00 C ATOM 317 O LYS A 26 0.667 11.023 -3.762 1.00 0.00 O ATOM 318 CB LYS A 26 -0.640 9.978 -6.081 1.00 0.00 C ATOM 319 CG LYS A 26 -0.811 9.309 -7.453 1.00 0.00 C ATOM 320 CD LYS A 26 0.520 9.096 -8.185 1.00 0.00 C ATOM 321 CE LYS A 26 1.193 10.434 -8.491 1.00 0.00 C ATOM 322 NZ LYS A 26 2.464 10.232 -9.215 1.00 0.00 N ATOM 0 H LYS A 26 -1.333 7.911 -4.345 1.00 0.00 H new ATOM 0 HA LYS A 26 1.144 8.930 -5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.620 10.163 -5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.159 10.948 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.306 8.347 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.466 9.923 -8.072 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.182 8.483 -7.574 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.346 8.551 -9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.524 11.054 -9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.381 10.972 -7.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.902 11.155 -9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.108 9.660 -8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.278 9.739 -10.112 1.00 0.00 H new ATOM 336 N CYS A 27 0.681 9.006 -2.756 1.00 0.00 N ATOM 337 CA CYS A 27 1.095 9.489 -1.450 1.00 0.00 C ATOM 338 C CYS A 27 2.618 9.639 -1.410 1.00 0.00 C ATOM 339 O CYS A 27 3.295 9.517 -2.429 1.00 0.00 O ATOM 340 CB CYS A 27 0.609 8.506 -0.382 1.00 0.00 C ATOM 341 SG CYS A 27 0.563 9.329 1.235 1.00 0.00 S ATOM 0 H CYS A 27 0.511 8.001 -2.786 1.00 0.00 H new ATOM 0 HA CYS A 27 0.657 10.468 -1.254 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.383 8.135 -0.640 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.272 7.642 -0.342 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.376 8.803 1.963 1.00 0.00 H new ATOM 347 N ASP A 28 3.154 9.908 -0.222 1.00 0.00 N ATOM 348 CA ASP A 28 4.584 10.073 -0.014 1.00 0.00 C ATOM 349 C ASP A 28 5.213 8.730 0.376 1.00 0.00 C ATOM 350 O ASP A 28 4.560 7.934 1.047 1.00 0.00 O ATOM 351 CB ASP A 28 4.798 11.134 1.063 1.00 0.00 C ATOM 352 CG ASP A 28 6.257 11.562 1.147 1.00 0.00 C ATOM 353 OD1 ASP A 28 6.627 12.511 0.418 1.00 0.00 O ATOM 354 OD2 ASP A 28 6.988 10.934 1.942 1.00 0.00 O ATOM 0 H ASP A 28 2.601 10.018 0.628 1.00 0.00 H new ATOM 0 HA ASP A 28 5.070 10.404 -0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.175 12.002 0.848 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.477 10.743 2.028 1.00 0.00 H new ATOM 359 N PRO A 29 6.464 8.451 -0.020 1.00 0.00 N ATOM 360 CA PRO A 29 7.124 7.192 0.279 1.00 0.00 C ATOM 361 C PRO A 29 7.200 6.929 1.774 1.00 0.00 C ATOM 362 O PRO A 29 7.243 5.777 2.209 1.00 0.00 O ATOM 363 CB PRO A 29 8.541 7.359 -0.261 1.00 0.00 C ATOM 364 CG PRO A 29 8.363 8.343 -1.413 1.00 0.00 C ATOM 365 CD PRO A 29 7.345 9.301 -0.802 1.00 0.00 C ATOM 0 HA PRO A 29 6.579 6.357 -0.162 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.218 7.748 0.499 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.956 6.411 -0.602 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.294 8.842 -1.680 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.989 7.861 -2.316 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.831 10.050 -0.177 1.00 0.00 H new ATOM 0 HD3 PRO A 29 6.794 9.839 -1.574 1.00 0.00 H new ATOM 373 N LYS A 30 7.216 8.007 2.557 1.00 0.00 N ATOM 374 CA LYS A 30 7.340 7.921 3.993 1.00 0.00 C ATOM 375 C LYS A 30 6.087 7.298 4.609 1.00 0.00 C ATOM 376 O LYS A 30 6.145 6.726 5.697 1.00 0.00 O ATOM 377 CB LYS A 30 7.563 9.341 4.513 1.00 0.00 C ATOM 378 CG LYS A 30 8.281 9.364 5.851 1.00 0.00 C ATOM 379 CD LYS A 30 9.757 9.035 5.655 1.00 0.00 C ATOM 380 CE LYS A 30 10.379 9.118 7.040 1.00 0.00 C ATOM 381 NZ LYS A 30 11.842 8.927 6.995 1.00 0.00 N ATOM 0 H LYS A 30 7.143 8.961 2.203 1.00 0.00 H new ATOM 0 HA LYS A 30 8.177 7.280 4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.144 9.905 3.783 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.601 9.844 4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.177 10.346 6.312 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.826 8.643 6.530 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.884 8.041 5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.229 9.740 4.970 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.152 10.088 7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.933 8.361 7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.230 8.990 7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.058 7.991 6.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.270 9.665 6.400 1.00 0.00 H new ATOM 395 N VAL A 31 4.953 7.410 3.906 1.00 0.00 N ATOM 396 CA VAL A 31 3.690 6.818 4.324 1.00 0.00 C ATOM 397 C VAL A 31 3.603 5.382 3.814 1.00 0.00 C ATOM 398 O VAL A 31 2.903 4.560 4.403 1.00 0.00 O ATOM 399 CB VAL A 31 2.534 7.675 3.791 1.00 0.00 C ATOM 400 CG1 VAL A 31 1.172 7.068 4.133 1.00 0.00 C ATOM 401 CG2 VAL A 31 2.607 9.072 4.402 1.00 0.00 C ATOM 0 H VAL A 31 4.893 7.920 3.025 1.00 0.00 H new ATOM 0 HA VAL A 31 3.626 6.791 5.412 1.00 0.00 H new ATOM 0 HB VAL A 31 2.634 7.720 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.380 7.705 3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.094 6.075 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.070 6.991 5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.785 9.679 4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.533 8.999 5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.556 9.537 4.134 1.00 0.00 H new ATOM 411 N SER A 32 4.307 5.065 2.724 1.00 0.00 N ATOM 412 CA SER A 32 4.295 3.723 2.161 1.00 0.00 C ATOM 413 C SER A 32 4.988 2.744 3.104 1.00 0.00 C ATOM 414 O SER A 32 4.553 1.603 3.238 1.00 0.00 O ATOM 415 CB SER A 32 5.000 3.736 0.807 1.00 0.00 C ATOM 416 OG SER A 32 4.419 4.705 -0.036 1.00 0.00 O ATOM 0 H SER A 32 4.893 5.727 2.216 1.00 0.00 H new ATOM 0 HA SER A 32 3.262 3.400 2.029 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.060 3.951 0.943 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.931 2.752 0.343 1.00 0.00 H new ATOM 0 HG SER A 32 3.621 4.330 -0.463 1.00 0.00 H new ATOM 422 N ARG A 33 6.068 3.184 3.761 1.00 0.00 N ATOM 423 CA ARG A 33 6.783 2.387 4.750 1.00 0.00 C ATOM 424 C ARG A 33 5.871 2.063 5.930 1.00 0.00 C ATOM 425 O ARG A 33 5.909 0.959 6.465 1.00 0.00 O ATOM 426 CB ARG A 33 7.996 3.197 5.210 1.00 0.00 C ATOM 427 CG ARG A 33 8.592 2.665 6.516 1.00 0.00 C ATOM 428 CD ARG A 33 9.905 3.377 6.821 1.00 0.00 C ATOM 429 NE ARG A 33 10.940 2.988 5.860 1.00 0.00 N ATOM 430 CZ ARG A 33 11.702 3.824 5.151 1.00 0.00 C ATOM 431 NH1 ARG A 33 11.556 5.145 5.253 1.00 0.00 N ATOM 432 NH2 ARG A 33 12.619 3.328 4.332 1.00 0.00 N ATOM 0 H ARG A 33 6.469 4.111 3.616 1.00 0.00 H new ATOM 0 HA ARG A 33 7.106 1.440 4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.759 3.178 4.431 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.704 4.239 5.345 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.888 2.817 7.334 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.762 1.591 6.437 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.756 4.456 6.786 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.230 3.133 7.832 1.00 0.00 H new ATOM 0 HE ARG A 33 11.092 1.989 5.720 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.852 5.533 5.881 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.148 5.767 4.703 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.736 2.318 4.249 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.207 3.956 3.785 1.00 0.00 H new ATOM 446 N LYS A 34 5.051 3.038 6.328 1.00 0.00 N ATOM 447 CA LYS A 34 4.144 2.912 7.461 1.00 0.00 C ATOM 448 C LYS A 34 2.941 2.036 7.105 1.00 0.00 C ATOM 449 O LYS A 34 2.371 1.390 7.981 1.00 0.00 O ATOM 450 CB LYS A 34 3.719 4.333 7.850 1.00 0.00 C ATOM 451 CG LYS A 34 2.508 4.375 8.779 1.00 0.00 C ATOM 452 CD LYS A 34 2.191 5.838 9.086 1.00 0.00 C ATOM 453 CE LYS A 34 0.838 5.970 9.786 1.00 0.00 C ATOM 454 NZ LYS A 34 0.814 5.259 11.080 1.00 0.00 N ATOM 0 H LYS A 34 5.001 3.945 5.865 1.00 0.00 H new ATOM 0 HA LYS A 34 4.634 2.422 8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.557 4.834 8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.492 4.896 6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.652 3.891 8.309 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.716 3.830 9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.974 6.259 9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.184 6.414 8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.614 7.025 9.947 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.055 5.573 9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.090 5.443 11.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.917 4.237 10.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.598 5.595 11.675 1.00 0.00 H new ATOM 468 N TYR A 35 2.558 2.010 5.826 1.00 0.00 N ATOM 469 CA TYR A 35 1.473 1.169 5.345 1.00 0.00 C ATOM 470 C TYR A 35 1.980 -0.188 4.871 1.00 0.00 C ATOM 471 O TYR A 35 1.271 -0.885 4.155 1.00 0.00 O ATOM 472 CB TYR A 35 0.667 1.888 4.260 1.00 0.00 C ATOM 473 CG TYR A 35 -0.552 2.609 4.785 1.00 0.00 C ATOM 474 CD1 TYR A 35 -1.767 1.917 4.908 1.00 0.00 C ATOM 475 CD2 TYR A 35 -0.473 3.963 5.141 1.00 0.00 C ATOM 476 CE1 TYR A 35 -2.909 2.583 5.373 1.00 0.00 C ATOM 477 CE2 TYR A 35 -1.613 4.636 5.596 1.00 0.00 C ATOM 478 CZ TYR A 35 -2.837 3.950 5.715 1.00 0.00 C ATOM 479 OH TYR A 35 -3.949 4.596 6.163 1.00 0.00 O ATOM 0 H TYR A 35 2.996 2.575 5.098 1.00 0.00 H new ATOM 0 HA TYR A 35 0.802 0.978 6.182 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.314 2.606 3.756 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.353 1.161 3.511 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.822 0.871 4.644 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.468 4.487 5.064 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.844 2.050 5.470 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.554 5.683 5.856 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.729 5.531 6.356 1.00 0.00 H new ATOM 489 N LEU A 36 3.195 -0.575 5.264 1.00 0.00 N ATOM 490 CA LEU A 36 3.725 -1.913 5.016 1.00 0.00 C ATOM 491 C LEU A 36 4.221 -2.526 6.325 1.00 0.00 C ATOM 492 O LEU A 36 4.293 -3.746 6.455 1.00 0.00 O ATOM 493 CB LEU A 36 4.867 -1.812 3.997 1.00 0.00 C ATOM 494 CG LEU A 36 4.366 -1.526 2.580 1.00 0.00 C ATOM 495 CD1 LEU A 36 5.522 -1.068 1.696 1.00 0.00 C ATOM 496 CD2 LEU A 36 3.774 -2.794 1.974 1.00 0.00 C ATOM 0 H LEU A 36 3.840 0.035 5.765 1.00 0.00 H new ATOM 0 HA LEU A 36 2.942 -2.557 4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.553 -1.022 4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.433 -2.743 3.997 1.00 0.00 H new ATOM 0 HG LEU A 36 3.608 -0.745 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.153 -0.867 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.959 -0.159 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.281 -1.850 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.419 -2.584 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.538 -3.570 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.941 -3.136 2.588 1.00 0.00 H new ATOM 508 N GLN A 37 4.553 -1.678 7.304 1.00 0.00 N ATOM 509 CA GLN A 37 4.914 -2.081 8.654 1.00 0.00 C ATOM 510 C GLN A 37 3.684 -2.566 9.425 1.00 0.00 C ATOM 511 O GLN A 37 3.752 -2.791 10.634 1.00 0.00 O ATOM 512 CB GLN A 37 5.589 -0.893 9.336 1.00 0.00 C ATOM 513 CG GLN A 37 7.093 -1.124 9.316 1.00 0.00 C ATOM 514 CD GLN A 37 7.879 0.175 9.326 1.00 0.00 C ATOM 515 OE1 GLN A 37 7.366 1.244 9.646 1.00 0.00 O ATOM 516 NE2 GLN A 37 9.151 0.078 8.961 1.00 0.00 N ATOM 0 H GLN A 37 4.577 -0.667 7.169 1.00 0.00 H new ATOM 0 HA GLN A 37 5.608 -2.921 8.629 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.340 0.034 8.819 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.234 -0.791 10.361 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.377 -1.724 10.181 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.358 -1.699 8.428 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.540 -0.829 8.702 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.740 0.910 8.939 1.00 0.00 H new ATOM 525 N ARG A 38 2.556 -2.725 8.723 1.00 0.00 N ATOM 526 CA ARG A 38 1.285 -3.130 9.300 1.00 0.00 C ATOM 527 C ARG A 38 0.650 -4.304 8.553 1.00 0.00 C ATOM 528 O ARG A 38 -0.530 -4.584 8.743 1.00 0.00 O ATOM 529 CB ARG A 38 0.359 -1.910 9.378 1.00 0.00 C ATOM 530 CG ARG A 38 0.139 -1.220 8.029 1.00 0.00 C ATOM 531 CD ARG A 38 -0.737 0.021 8.217 1.00 0.00 C ATOM 532 NE ARG A 38 -2.072 -0.335 8.717 1.00 0.00 N ATOM 533 CZ ARG A 38 -2.452 -0.278 9.995 1.00 0.00 C ATOM 534 NH1 ARG A 38 -1.638 0.193 10.935 1.00 0.00 N ATOM 535 NH2 ARG A 38 -3.665 -0.699 10.340 1.00 0.00 N ATOM 0 H ARG A 38 2.509 -2.570 7.716 1.00 0.00 H new ATOM 0 HA ARG A 38 1.460 -3.501 10.310 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.606 -2.222 9.779 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.779 -1.190 10.081 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.098 -0.937 7.595 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.336 -1.909 7.331 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.256 0.705 8.916 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.831 0.549 7.268 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.762 -0.650 8.035 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.704 0.519 10.685 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.947 0.228 11.906 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.300 -1.063 9.629 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.961 -0.658 11.315 1.00 0.00 H new ATOM 549 N ASN A 39 1.426 -4.988 7.706 1.00 0.00 N ATOM 550 CA ASN A 39 0.912 -6.083 6.890 1.00 0.00 C ATOM 551 C ASN A 39 2.031 -6.997 6.391 1.00 0.00 C ATOM 552 O ASN A 39 1.912 -7.604 5.327 1.00 0.00 O ATOM 553 CB ASN A 39 0.144 -5.493 5.710 1.00 0.00 C ATOM 554 CG ASN A 39 0.963 -4.412 5.046 1.00 0.00 C ATOM 555 OD1 ASN A 39 1.973 -4.677 4.403 1.00 0.00 O ATOM 556 ND2 ASN A 39 0.504 -3.181 5.221 1.00 0.00 N ATOM 0 H ASN A 39 2.419 -4.798 7.570 1.00 0.00 H new ATOM 0 HA ASN A 39 0.252 -6.695 7.504 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.090 -6.277 4.990 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.805 -5.082 6.053 1.00 0.00 H new ATOM 0 HD21 ASN A 39 0.998 -2.389 4.809 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.343 -3.025 5.767 1.00 0.00 H new ATOM 563 N HIS A 40 3.118 -7.100 7.155 1.00 0.00 N ATOM 564 CA HIS A 40 4.233 -7.977 6.833 1.00 0.00 C ATOM 565 C HIS A 40 4.874 -7.624 5.489 1.00 0.00 C ATOM 566 O HIS A 40 5.456 -8.484 4.828 1.00 0.00 O ATOM 567 CB HIS A 40 3.801 -9.445 6.923 1.00 0.00 C ATOM 568 CG HIS A 40 2.848 -9.745 8.055 1.00 0.00 C ATOM 569 ND1 HIS A 40 1.913 -10.785 8.055 1.00 0.00 N ATOM 570 CD2 HIS A 40 2.742 -9.051 9.229 1.00 0.00 C ATOM 571 CE1 HIS A 40 1.268 -10.688 9.229 1.00 0.00 C ATOM 572 NE2 HIS A 40 1.744 -9.662 9.953 1.00 0.00 N ATOM 0 H HIS A 40 3.246 -6.573 8.019 1.00 0.00 H new ATOM 0 HA HIS A 40 5.015 -7.823 7.576 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.331 -9.731 5.982 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.689 -10.066 7.037 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.326 -8.193 9.528 1.00 0.00 H new ATOM 0 HE1 HIS A 40 0.474 -11.346 9.548 1.00 0.00 H new ATOM 0 HE2 HIS A 40 1.421 -9.384 10.880 1.00 0.00 H new ATOM 580 N TRP A 41 4.762 -6.354 5.088 1.00 0.00 N ATOM 581 CA TRP A 41 5.354 -5.832 3.865 1.00 0.00 C ATOM 582 C TRP A 41 4.864 -6.525 2.592 1.00 0.00 C ATOM 583 O TRP A 41 5.640 -6.743 1.662 1.00 0.00 O ATOM 584 CB TRP A 41 6.876 -5.757 4.007 1.00 0.00 C ATOM 585 CG TRP A 41 7.327 -4.740 5.001 1.00 0.00 C ATOM 586 CD1 TRP A 41 7.331 -4.864 6.340 1.00 0.00 C ATOM 587 CD2 TRP A 41 7.841 -3.410 4.729 1.00 0.00 C ATOM 588 NE1 TRP A 41 7.774 -3.689 6.914 1.00 0.00 N ATOM 589 CE2 TRP A 41 8.069 -2.735 5.959 1.00 0.00 C ATOM 590 CE3 TRP A 41 8.098 -2.716 3.543 1.00 0.00 C ATOM 591 CZ2 TRP A 41 8.492 -1.399 6.005 1.00 0.00 C ATOM 592 CZ3 TRP A 41 8.565 -1.393 3.572 1.00 0.00 C ATOM 593 CH2 TRP A 41 8.758 -0.736 4.798 1.00 0.00 C ATOM 0 H TRP A 41 4.247 -5.652 5.618 1.00 0.00 H new ATOM 0 HA TRP A 41 4.996 -4.811 3.730 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.255 -6.736 4.302 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.313 -5.525 3.036 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.033 -5.748 6.884 1.00 0.00 H new ATOM 0 HE1 TRP A 41 7.871 -3.543 7.919 1.00 0.00 H new ATOM 0 HE3 TRP A 41 7.935 -3.204 2.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.611 -0.891 6.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.777 -0.878 2.647 1.00 0.00 H new ATOM 0 HH2 TRP A 41 9.113 0.284 4.812 1.00 0.00 H new ATOM 604 N ASN A 42 3.574 -6.874 2.544 1.00 0.00 N ATOM 605 CA ASN A 42 2.932 -7.395 1.351 1.00 0.00 C ATOM 606 C ASN A 42 2.161 -6.265 0.676 1.00 0.00 C ATOM 607 O ASN A 42 1.223 -5.729 1.262 1.00 0.00 O ATOM 608 CB ASN A 42 1.978 -8.524 1.745 1.00 0.00 C ATOM 609 CG ASN A 42 2.714 -9.829 2.002 1.00 0.00 C ATOM 610 OD1 ASN A 42 3.146 -10.103 3.119 1.00 0.00 O ATOM 611 ND2 ASN A 42 2.861 -10.642 0.960 1.00 0.00 N ATOM 0 H ASN A 42 2.947 -6.799 3.345 1.00 0.00 H new ATOM 0 HA ASN A 42 3.678 -7.788 0.660 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.427 -8.237 2.640 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.244 -8.672 0.952 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.348 -11.531 1.072 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.487 -10.376 0.049 1.00 0.00 H new ATOM 618 N ILE A 43 2.540 -5.898 -0.552 1.00 0.00 N ATOM 619 CA ILE A 43 1.852 -4.829 -1.271 1.00 0.00 C ATOM 620 C ILE A 43 0.440 -5.261 -1.663 1.00 0.00 C ATOM 621 O ILE A 43 -0.404 -4.421 -1.977 1.00 0.00 O ATOM 622 CB ILE A 43 2.716 -4.382 -2.463 1.00 0.00 C ATOM 623 CG1 ILE A 43 3.728 -3.338 -1.966 1.00 0.00 C ATOM 624 CG2 ILE A 43 1.884 -3.786 -3.608 1.00 0.00 C ATOM 625 CD1 ILE A 43 3.072 -2.003 -1.662 1.00 0.00 C ATOM 0 H ILE A 43 3.314 -6.323 -1.063 1.00 0.00 H new ATOM 0 HA ILE A 43 1.722 -3.961 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 43 3.220 -5.262 -2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.221 -3.711 -1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.502 -3.197 -2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.545 -3.488 -4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.176 -4.532 -3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.339 -2.914 -3.246 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.827 -1.298 -1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.601 -1.615 -2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.316 -2.137 -0.888 1.00 0.00 H new ATOM 637 N ASN A 44 0.166 -6.567 -1.644 1.00 0.00 N ATOM 638 CA ASN A 44 -1.150 -7.081 -1.994 1.00 0.00 C ATOM 639 C ASN A 44 -2.070 -7.081 -0.771 1.00 0.00 C ATOM 640 O ASN A 44 -3.237 -7.454 -0.873 1.00 0.00 O ATOM 641 CB ASN A 44 -1.002 -8.486 -2.579 1.00 0.00 C ATOM 642 CG ASN A 44 -0.152 -8.490 -3.844 1.00 0.00 C ATOM 643 OD1 ASN A 44 -0.091 -7.501 -4.572 1.00 0.00 O ATOM 644 ND2 ASN A 44 0.512 -9.609 -4.115 1.00 0.00 N ATOM 0 H ASN A 44 0.843 -7.286 -1.389 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.606 -6.435 -2.744 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.549 -9.143 -1.836 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.989 -8.891 -2.804 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.096 -9.666 -4.950 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.438 -10.410 -3.488 1.00 0.00 H new ATOM 651 N TYR A 45 -1.538 -6.664 0.379 1.00 0.00 N ATOM 652 CA TYR A 45 -2.239 -6.599 1.648 1.00 0.00 C ATOM 653 C TYR A 45 -1.987 -5.244 2.314 1.00 0.00 C ATOM 654 O TYR A 45 -2.283 -5.066 3.496 1.00 0.00 O ATOM 655 CB TYR A 45 -1.743 -7.760 2.511 1.00 0.00 C ATOM 656 CG TYR A 45 -2.306 -9.104 2.107 1.00 0.00 C ATOM 657 CD1 TYR A 45 -3.560 -9.514 2.589 1.00 0.00 C ATOM 658 CD2 TYR A 45 -1.575 -9.942 1.253 1.00 0.00 C ATOM 659 CE1 TYR A 45 -4.080 -10.764 2.221 1.00 0.00 C ATOM 660 CE2 TYR A 45 -2.090 -11.194 0.880 1.00 0.00 C ATOM 661 CZ TYR A 45 -3.347 -11.612 1.362 1.00 0.00 C ATOM 662 OH TYR A 45 -3.852 -12.825 1.006 1.00 0.00 O ATOM 0 H TYR A 45 -0.569 -6.352 0.447 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.316 -6.689 1.509 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.655 -7.801 2.458 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.004 -7.565 3.551 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.124 -8.866 3.244 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.613 -9.623 0.881 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.043 -11.078 2.595 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.523 -11.837 0.223 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.221 -13.280 0.410 1.00 0.00 H new ATOM 672 N ALA A 46 -1.440 -4.293 1.555 1.00 0.00 N ATOM 673 CA ALA A 46 -1.090 -2.972 2.049 1.00 0.00 C ATOM 674 C ALA A 46 -1.814 -1.877 1.282 1.00 0.00 C ATOM 675 O ALA A 46 -2.194 -0.861 1.859 1.00 0.00 O ATOM 676 CB ALA A 46 0.412 -2.802 1.876 1.00 0.00 C ATOM 0 H ALA A 46 -1.227 -4.427 0.566 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.385 -2.888 3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.711 -1.818 2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.933 -3.572 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.669 -2.894 0.821 1.00 0.00 H new ATOM 682 N LEU A 47 -2.014 -2.082 -0.023 1.00 0.00 N ATOM 683 CA LEU A 47 -2.694 -1.108 -0.857 1.00 0.00 C ATOM 684 C LEU A 47 -4.173 -1.051 -0.482 1.00 0.00 C ATOM 685 O LEU A 47 -4.797 -0.002 -0.595 1.00 0.00 O ATOM 686 CB LEU A 47 -2.512 -1.514 -2.322 1.00 0.00 C ATOM 687 CG LEU A 47 -1.083 -1.272 -2.816 1.00 0.00 C ATOM 688 CD1 LEU A 47 -0.981 -1.769 -4.253 1.00 0.00 C ATOM 689 CD2 LEU A 47 -0.716 0.209 -2.787 1.00 0.00 C ATOM 0 H LEU A 47 -1.710 -2.920 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.272 -0.114 -0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.761 -2.569 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.209 -0.951 -2.943 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.397 -1.805 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.031 -1.605 -4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.212 -2.834 -4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.689 -1.224 -4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.305 0.338 -3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.398 0.766 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.792 0.583 -1.766 1.00 0.00 H new ATOM 701 N ASN A 48 -4.736 -2.175 -0.034 1.00 0.00 N ATOM 702 CA ASN A 48 -6.140 -2.256 0.332 1.00 0.00 C ATOM 703 C ASN A 48 -6.398 -1.431 1.583 1.00 0.00 C ATOM 704 O ASN A 48 -7.446 -0.805 1.704 1.00 0.00 O ATOM 705 CB ASN A 48 -6.516 -3.717 0.587 1.00 0.00 C ATOM 706 CG ASN A 48 -5.924 -4.605 -0.485 1.00 0.00 C ATOM 707 OD1 ASN A 48 -6.563 -4.932 -1.481 1.00 0.00 O ATOM 708 ND2 ASN A 48 -4.672 -4.993 -0.270 1.00 0.00 N ATOM 0 H ASN A 48 -4.227 -3.051 0.083 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.748 -1.862 -0.482 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.154 -4.027 1.567 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.601 -3.824 0.600 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.199 -5.590 -0.949 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.183 -4.694 0.574 1.00 0.00 H new ATOM 715 N ASP A 49 -5.441 -1.430 2.513 1.00 0.00 N ATOM 716 CA ASP A 49 -5.588 -0.657 3.739 1.00 0.00 C ATOM 717 C ASP A 49 -5.559 0.835 3.432 1.00 0.00 C ATOM 718 O ASP A 49 -6.119 1.640 4.173 1.00 0.00 O ATOM 719 CB ASP A 49 -4.479 -1.022 4.728 1.00 0.00 C ATOM 720 CG ASP A 49 -4.946 -0.857 6.170 1.00 0.00 C ATOM 721 OD1 ASP A 49 -5.995 -1.447 6.513 1.00 0.00 O ATOM 722 OD2 ASP A 49 -4.260 -0.142 6.932 1.00 0.00 O ATOM 0 H ASP A 49 -4.567 -1.951 2.439 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.551 -0.896 4.191 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.165 -2.052 4.561 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.609 -0.390 4.551 1.00 0.00 H new ATOM 727 N TYR A 50 -4.900 1.203 2.331 1.00 0.00 N ATOM 728 CA TYR A 50 -4.844 2.582 1.871 1.00 0.00 C ATOM 729 C TYR A 50 -6.097 2.919 1.065 1.00 0.00 C ATOM 730 O TYR A 50 -6.573 4.051 1.087 1.00 0.00 O ATOM 731 CB TYR A 50 -3.574 2.760 1.044 1.00 0.00 C ATOM 732 CG TYR A 50 -3.352 4.171 0.563 1.00 0.00 C ATOM 733 CD1 TYR A 50 -2.651 5.087 1.359 1.00 0.00 C ATOM 734 CD2 TYR A 50 -3.858 4.560 -0.686 1.00 0.00 C ATOM 735 CE1 TYR A 50 -2.461 6.402 0.911 1.00 0.00 C ATOM 736 CE2 TYR A 50 -3.680 5.873 -1.138 1.00 0.00 C ATOM 737 CZ TYR A 50 -2.984 6.802 -0.339 1.00 0.00 C ATOM 738 OH TYR A 50 -2.823 8.081 -0.774 1.00 0.00 O ATOM 0 H TYR A 50 -4.391 0.549 1.736 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.814 3.268 2.717 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.716 2.451 1.642 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.617 2.095 0.181 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.257 4.780 2.317 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.386 3.845 -1.300 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.916 7.108 1.520 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.075 6.173 -2.097 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.244 8.183 -1.653 1.00 0.00 H new ATOM 748 N TYR A 51 -6.635 1.929 0.349 1.00 0.00 N ATOM 749 CA TYR A 51 -7.869 2.084 -0.411 1.00 0.00 C ATOM 750 C TYR A 51 -9.096 2.014 0.501 1.00 0.00 C ATOM 751 O TYR A 51 -10.220 2.215 0.040 1.00 0.00 O ATOM 752 CB TYR A 51 -7.939 1.011 -1.498 1.00 0.00 C ATOM 753 CG TYR A 51 -6.810 1.084 -2.502 1.00 0.00 C ATOM 754 CD1 TYR A 51 -6.297 2.333 -2.884 1.00 0.00 C ATOM 755 CD2 TYR A 51 -6.272 -0.093 -3.047 1.00 0.00 C ATOM 756 CE1 TYR A 51 -5.247 2.416 -3.805 1.00 0.00 C ATOM 757 CE2 TYR A 51 -5.225 -0.016 -3.975 1.00 0.00 C ATOM 758 CZ TYR A 51 -4.708 1.239 -4.357 1.00 0.00 C ATOM 759 OH TYR A 51 -3.690 1.304 -5.262 1.00 0.00 O ATOM 0 H TYR A 51 -6.224 0.998 0.282 1.00 0.00 H new ATOM 0 HA TYR A 51 -7.868 3.068 -0.879 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.930 0.028 -1.026 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.888 1.103 -2.026 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.715 3.236 -2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.664 -1.055 -2.752 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.852 3.379 -4.091 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.813 -0.920 -4.399 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.495 2.242 -5.468 1.00 0.00 H new ATOM 769 N ASP A 52 -8.892 1.733 1.787 1.00 0.00 N ATOM 770 CA ASP A 52 -9.959 1.720 2.774 1.00 0.00 C ATOM 771 C ASP A 52 -9.949 2.989 3.619 1.00 0.00 C ATOM 772 O ASP A 52 -10.982 3.373 4.168 1.00 0.00 O ATOM 773 CB ASP A 52 -9.741 0.528 3.703 1.00 0.00 C ATOM 774 CG ASP A 52 -10.047 -0.821 3.053 1.00 0.00 C ATOM 775 OD1 ASP A 52 -10.750 -0.835 2.017 1.00 0.00 O ATOM 776 OD2 ASP A 52 -9.573 -1.841 3.603 1.00 0.00 O ATOM 0 H ASP A 52 -7.974 1.507 2.171 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.913 1.655 2.252 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.706 0.530 4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.369 0.647 4.586 1.00 0.00 H new ATOM 781 N LYS A 53 -8.785 3.639 3.726 1.00 0.00 N ATOM 782 CA LYS A 53 -8.591 4.726 4.674 1.00 0.00 C ATOM 783 C LYS A 53 -8.132 6.035 4.038 1.00 0.00 C ATOM 784 O LYS A 53 -8.193 7.080 4.684 1.00 0.00 O ATOM 785 CB LYS A 53 -7.576 4.253 5.710 1.00 0.00 C ATOM 786 CG LYS A 53 -8.077 2.999 6.423 1.00 0.00 C ATOM 787 CD LYS A 53 -6.981 2.521 7.363 1.00 0.00 C ATOM 788 CE LYS A 53 -7.419 1.227 8.041 1.00 0.00 C ATOM 789 NZ LYS A 53 -6.321 0.652 8.837 1.00 0.00 N ATOM 0 H LYS A 53 -7.963 3.425 3.162 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.556 4.957 5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.623 4.045 5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.396 5.044 6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.988 3.216 6.980 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.323 2.222 5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.057 2.358 6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.772 3.284 8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.277 1.422 8.685 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.742 0.509 7.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.602 -0.284 9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.474 0.557 8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.111 1.277 9.641 1.00 0.00 H new ATOM 803 N GLU A 54 -7.670 6.003 2.784 1.00 0.00 N ATOM 804 CA GLU A 54 -7.126 7.179 2.118 1.00 0.00 C ATOM 805 C GLU A 54 -7.620 7.291 0.676 1.00 0.00 C ATOM 806 O GLU A 54 -7.102 8.096 -0.096 1.00 0.00 O ATOM 807 CB GLU A 54 -5.596 7.122 2.127 1.00 0.00 C ATOM 808 CG GLU A 54 -5.007 7.060 3.541 1.00 0.00 C ATOM 809 CD GLU A 54 -5.309 8.315 4.362 1.00 0.00 C ATOM 810 OE1 GLU A 54 -5.549 9.380 3.748 1.00 0.00 O ATOM 811 OE2 GLU A 54 -5.296 8.202 5.609 1.00 0.00 O ATOM 0 H GLU A 54 -7.665 5.161 2.208 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.470 8.057 2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.267 6.249 1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.202 7.999 1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.406 6.188 4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.927 6.925 3.475 1.00 0.00 H new ATOM 818 N ILE A 55 -8.618 6.487 0.292 1.00 0.00 N ATOM 819 CA ILE A 55 -9.114 6.469 -1.075 1.00 0.00 C ATOM 820 C ILE A 55 -9.755 7.812 -1.434 1.00 0.00 C ATOM 821 O ILE A 55 -10.351 8.474 -0.583 1.00 0.00 O ATOM 822 CB ILE A 55 -10.074 5.286 -1.256 1.00 0.00 C ATOM 823 CG1 ILE A 55 -10.434 5.127 -2.734 1.00 0.00 C ATOM 824 CG2 ILE A 55 -11.315 5.449 -0.375 1.00 0.00 C ATOM 825 CD1 ILE A 55 -11.230 3.849 -2.992 1.00 0.00 C ATOM 0 H ILE A 55 -9.096 5.839 0.918 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.284 6.329 -1.768 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.577 4.371 -0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -11.015 5.989 -3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.522 5.113 -3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.980 4.598 -0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.014 5.499 0.672 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.836 6.367 -0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.465 3.775 -4.054 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.638 2.985 -2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -12.155 3.874 -2.416 1.00 0.00 H new ATOM 837 N GLY A 56 -9.633 8.218 -2.701 1.00 0.00 N ATOM 838 CA GLY A 56 -10.105 9.515 -3.166 1.00 0.00 C ATOM 839 C GLY A 56 -11.594 9.542 -3.508 1.00 0.00 C ATOM 840 O GLY A 56 -12.127 10.605 -3.825 1.00 0.00 O ATOM 0 H GLY A 56 -9.202 7.651 -3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.905 10.261 -2.397 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.534 9.804 -4.048 1.00 0.00 H new ATOM 844 N THR A 57 -12.272 8.393 -3.453 1.00 0.00 N ATOM 845 CA THR A 57 -13.688 8.302 -3.794 1.00 0.00 C ATOM 846 C THR A 57 -14.317 7.098 -3.104 1.00 0.00 C ATOM 847 O THR A 57 -13.603 6.222 -2.614 1.00 0.00 O ATOM 848 CB THR A 57 -13.849 8.205 -5.315 1.00 0.00 C ATOM 849 OG1 THR A 57 -15.221 8.234 -5.644 1.00 0.00 O ATOM 850 CG2 THR A 57 -13.237 6.921 -5.874 1.00 0.00 C ATOM 0 H THR A 57 -11.855 7.506 -3.172 1.00 0.00 H new ATOM 0 HA THR A 57 -14.201 9.199 -3.447 1.00 0.00 H new ATOM 0 HB THR A 57 -13.326 9.053 -5.756 1.00 0.00 H new ATOM 0 HG1 THR A 57 -15.326 8.174 -6.617 1.00 0.00 H new ATOM 0 HG21 THR A 57 -13.374 6.893 -6.955 1.00 0.00 H new ATOM 0 HG22 THR A 57 -12.172 6.894 -5.642 1.00 0.00 H new ATOM 0 HG23 THR A 57 -13.728 6.058 -5.424 1.00 0.00 H new ATOM 858 N PHE A 58 -15.650 7.047 -3.058 1.00 0.00 N ATOM 859 CA PHE A 58 -16.361 5.955 -2.412 1.00 0.00 C ATOM 860 C PHE A 58 -17.605 5.510 -3.185 1.00 0.00 C ATOM 861 O PHE A 58 -18.278 4.559 -2.794 1.00 0.00 O ATOM 862 CB PHE A 58 -16.708 6.387 -0.992 1.00 0.00 C ATOM 863 CG PHE A 58 -17.151 5.234 -0.134 1.00 0.00 C ATOM 864 CD1 PHE A 58 -16.193 4.366 0.402 1.00 0.00 C ATOM 865 CD2 PHE A 58 -18.514 5.026 0.117 1.00 0.00 C ATOM 866 CE1 PHE A 58 -16.596 3.287 1.198 1.00 0.00 C ATOM 867 CE2 PHE A 58 -18.917 3.954 0.924 1.00 0.00 C ATOM 868 CZ PHE A 58 -17.960 3.083 1.466 1.00 0.00 C ATOM 0 H PHE A 58 -16.258 7.758 -3.465 1.00 0.00 H new ATOM 0 HA PHE A 58 -15.712 5.080 -2.391 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -15.839 6.862 -0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -17.499 7.136 -1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -15.144 4.528 0.202 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -19.251 5.690 -0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -15.859 2.612 1.606 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -19.966 3.798 1.129 1.00 0.00 H new ATOM 0 HZ PHE A 58 -18.271 2.257 2.088 1.00 0.00 H new ATOM 878 N THR A 59 -17.912 6.199 -4.281 1.00 0.00 N ATOM 879 CA THR A 59 -19.078 5.907 -5.107 1.00 0.00 C ATOM 880 C THR A 59 -18.806 6.249 -6.570 1.00 0.00 C ATOM 881 O THR A 59 -17.904 7.029 -6.877 1.00 0.00 O ATOM 882 CB THR A 59 -20.294 6.670 -4.580 1.00 0.00 C ATOM 883 OG1 THR A 59 -21.426 6.354 -5.361 1.00 0.00 O ATOM 884 CG2 THR A 59 -20.077 8.183 -4.619 1.00 0.00 C ATOM 0 H THR A 59 -17.354 6.981 -4.623 1.00 0.00 H new ATOM 0 HA THR A 59 -19.289 4.839 -5.052 1.00 0.00 H new ATOM 0 HB THR A 59 -20.445 6.371 -3.543 1.00 0.00 H new ATOM 0 HG1 THR A 59 -22.205 6.842 -5.021 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.964 8.688 -4.236 1.00 0.00 H new ATOM 0 HG22 THR A 59 -19.217 8.443 -4.002 1.00 0.00 H new ATOM 0 HG23 THR A 59 -19.895 8.498 -5.646 1.00 0.00 H new ATOM 892 N ASP A 60 -19.591 5.660 -7.471 1.00 0.00 N ATOM 893 CA ASP A 60 -19.475 5.883 -8.904 1.00 0.00 C ATOM 894 C ASP A 60 -20.854 5.941 -9.558 1.00 0.00 C ATOM 895 O ASP A 60 -20.981 5.811 -10.775 1.00 0.00 O ATOM 896 CB ASP A 60 -18.578 4.799 -9.512 1.00 0.00 C ATOM 897 CG ASP A 60 -18.229 5.090 -10.971 1.00 0.00 C ATOM 898 OD1 ASP A 60 -17.806 6.234 -11.254 1.00 0.00 O ATOM 899 OD2 ASP A 60 -18.384 4.160 -11.796 1.00 0.00 O ATOM 0 H ASP A 60 -20.333 5.007 -7.219 1.00 0.00 H new ATOM 0 HA ASP A 60 -19.008 6.850 -9.092 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -17.660 4.720 -8.929 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -19.081 3.834 -9.446 1.00 0.00 H new ATOM 904 N GLU A 61 -21.896 6.136 -8.747 1.00 0.00 N ATOM 905 CA GLU A 61 -23.262 6.186 -9.243 1.00 0.00 C ATOM 906 C GLU A 61 -23.814 7.614 -9.234 1.00 0.00 C ATOM 907 O GLU A 61 -24.981 7.824 -9.559 1.00 0.00 O ATOM 908 CB GLU A 61 -24.155 5.239 -8.437 1.00 0.00 C ATOM 909 CG GLU A 61 -23.661 3.791 -8.493 1.00 0.00 C ATOM 910 CD GLU A 61 -23.645 3.247 -9.924 1.00 0.00 C ATOM 911 OE1 GLU A 61 -24.664 3.425 -10.628 1.00 0.00 O ATOM 912 OE2 GLU A 61 -22.612 2.652 -10.305 1.00 0.00 O ATOM 0 H GLU A 61 -21.813 6.262 -7.738 1.00 0.00 H new ATOM 0 HA GLU A 61 -23.257 5.853 -10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -24.189 5.570 -7.399 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -25.174 5.289 -8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -22.657 3.734 -8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -24.303 3.164 -7.874 1.00 0.00 H new ATOM 919 N VAL A 62 -22.977 8.593 -8.863 1.00 0.00 N ATOM 920 CA VAL A 62 -23.355 9.999 -8.788 1.00 0.00 C ATOM 921 C VAL A 62 -22.252 10.889 -9.359 1.00 0.00 C ATOM 922 O VAL A 62 -21.087 10.433 -9.386 1.00 0.00 O ATOM 923 CB VAL A 62 -23.674 10.404 -7.340 1.00 0.00 C ATOM 924 CG1 VAL A 62 -24.900 9.647 -6.825 1.00 0.00 C ATOM 925 CG2 VAL A 62 -22.492 10.128 -6.412 1.00 0.00 C ATOM 0 H VAL A 62 -22.006 8.421 -8.604 1.00 0.00 H new ATOM 0 HA VAL A 62 -24.254 10.137 -9.389 1.00 0.00 H new ATOM 0 HB VAL A 62 -23.879 11.475 -7.342 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -25.109 9.948 -5.798 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -25.760 9.878 -7.453 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -24.705 8.575 -6.856 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -22.750 10.426 -5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -22.256 9.064 -6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -21.625 10.697 -6.748 1.00 0.00 H new TER 935 VAL A 62