USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 786 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 19:sc= 0.259 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 29:sc= 0.273 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -2.19 USER MOD Single : A 25 SER OG : rot 8:sc= 0.63 USER MOD Single : A 35 SER OG : rot 160:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 139:sc= -0.435 (180deg=-2.58!) USER MOD Single : A 45 TYR OH : rot 15:sc= -0.979 USER MOD Single : A 46 HIS : no HD1:sc= -0.3 K(o=-0.3,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.21 K(o=-1.2,f=-4.1!) USER MOD Single : A 72 LYS NZ :NH3+ 157:sc= -0.0919 (180deg=-0.456) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -68:sc= 0.24 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot -170:sc= -0.166 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -4.09 K(o=-4.1,f=-2.6) USER MOD Single : A 98 SER OG : rot 20:sc= -0.95 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot -130:sc= -0.447 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 104 SER OG : rot 41:sc= 0.962 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.159 21.762 11.348 1.00 0.00 N ATOM 2 CA GLY A 1 19.089 22.684 11.019 1.00 0.00 C ATOM 3 C GLY A 1 17.781 22.321 11.694 1.00 0.00 C ATOM 4 O GLY A 1 17.224 23.116 12.450 1.00 0.00 O ATOM 0 H1 GLY A 1 21.031 22.054 10.862 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.318 21.767 12.376 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.897 20.803 11.043 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.379 23.692 11.315 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.945 22.698 9.939 1.00 0.00 H new ATOM 8 N SER A 2 17.290 21.116 11.421 1.00 0.00 N ATOM 9 CA SER A 2 16.037 20.651 12.004 1.00 0.00 C ATOM 10 C SER A 2 16.250 19.363 12.792 1.00 0.00 C ATOM 11 O SER A 2 16.862 18.415 12.300 1.00 0.00 O ATOM 12 CB SER A 2 14.994 20.425 10.908 1.00 0.00 C ATOM 13 OG SER A 2 15.405 19.406 10.014 1.00 0.00 O ATOM 0 H SER A 2 17.741 20.444 10.800 1.00 0.00 H new ATOM 0 HA SER A 2 15.675 21.419 12.688 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.040 20.153 11.360 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.833 21.352 10.358 1.00 0.00 H new ATOM 0 HG SER A 2 14.720 19.280 9.324 1.00 0.00 H new ATOM 19 N SER A 3 15.740 19.337 14.020 1.00 0.00 N ATOM 20 CA SER A 3 15.877 18.167 14.880 1.00 0.00 C ATOM 21 C SER A 3 14.589 17.350 14.894 1.00 0.00 C ATOM 22 O SER A 3 13.491 17.902 14.951 1.00 0.00 O ATOM 23 CB SER A 3 16.240 18.594 16.303 1.00 0.00 C ATOM 24 OG SER A 3 16.598 17.475 17.096 1.00 0.00 O ATOM 0 H SER A 3 15.229 20.113 14.441 1.00 0.00 H new ATOM 0 HA SER A 3 16.677 17.544 14.480 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.068 19.302 16.273 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.395 19.110 16.758 1.00 0.00 H new ATOM 0 HG SER A 3 16.827 17.775 18.000 1.00 0.00 H new ATOM 30 N GLY A 4 14.733 16.029 14.842 1.00 0.00 N ATOM 31 CA GLY A 4 13.574 15.156 14.850 1.00 0.00 C ATOM 32 C GLY A 4 13.799 13.886 14.053 1.00 0.00 C ATOM 33 O GLY A 4 14.442 13.910 13.003 1.00 0.00 O ATOM 0 H GLY A 4 15.631 15.548 14.795 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.326 14.896 15.879 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.717 15.691 14.441 1.00 0.00 H new ATOM 37 N SER A 5 13.270 12.774 14.552 1.00 0.00 N ATOM 38 CA SER A 5 13.421 11.488 13.882 1.00 0.00 C ATOM 39 C SER A 5 13.398 11.659 12.366 1.00 0.00 C ATOM 40 O SER A 5 12.718 12.540 11.840 1.00 0.00 O ATOM 41 CB SER A 5 12.310 10.530 14.315 1.00 0.00 C ATOM 42 OG SER A 5 12.392 10.247 15.701 1.00 0.00 O ATOM 0 H SER A 5 12.733 12.738 15.418 1.00 0.00 H new ATOM 0 HA SER A 5 14.385 11.068 14.168 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.338 10.968 14.087 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.383 9.603 13.746 1.00 0.00 H new ATOM 0 HG SER A 5 11.670 9.634 15.953 1.00 0.00 H new ATOM 48 N SER A 6 14.148 10.810 11.670 1.00 0.00 N ATOM 49 CA SER A 6 14.217 10.869 10.214 1.00 0.00 C ATOM 50 C SER A 6 14.461 9.483 9.626 1.00 0.00 C ATOM 51 O SER A 6 15.304 8.730 10.111 1.00 0.00 O ATOM 52 CB SER A 6 15.328 11.825 9.774 1.00 0.00 C ATOM 53 OG SER A 6 14.902 13.174 9.856 1.00 0.00 O ATOM 0 H SER A 6 14.716 10.074 12.090 1.00 0.00 H new ATOM 0 HA SER A 6 13.261 11.239 9.843 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.207 11.679 10.402 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.625 11.596 8.751 1.00 0.00 H new ATOM 0 HG SER A 6 14.119 13.235 10.442 1.00 0.00 H new ATOM 59 N GLY A 7 13.715 9.153 8.575 1.00 0.00 N ATOM 60 CA GLY A 7 13.864 7.859 7.937 1.00 0.00 C ATOM 61 C GLY A 7 14.068 7.971 6.439 1.00 0.00 C ATOM 62 O GLY A 7 14.527 8.992 5.928 1.00 0.00 O ATOM 0 H GLY A 7 13.011 9.759 8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.712 7.336 8.378 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.979 7.255 8.136 1.00 0.00 H new ATOM 66 N PRO A 8 13.723 6.900 5.709 1.00 0.00 N ATOM 67 CA PRO A 8 13.862 6.857 4.250 1.00 0.00 C ATOM 68 C PRO A 8 12.872 7.778 3.546 1.00 0.00 C ATOM 69 O PRO A 8 11.948 8.319 4.156 1.00 0.00 O ATOM 70 CB PRO A 8 13.568 5.394 3.908 1.00 0.00 C ATOM 71 CG PRO A 8 12.709 4.910 5.025 1.00 0.00 C ATOM 72 CD PRO A 8 13.169 5.648 6.252 1.00 0.00 C ATOM 0 HA PRO A 8 14.846 7.195 3.924 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.057 5.306 2.949 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.487 4.812 3.834 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.657 5.108 4.822 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.811 3.833 5.157 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.345 5.838 6.939 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.920 5.082 6.803 1.00 0.00 H new ATOM 80 N PRO A 9 13.066 7.963 2.232 1.00 0.00 N ATOM 81 CA PRO A 9 12.198 8.819 1.416 1.00 0.00 C ATOM 82 C PRO A 9 10.808 8.222 1.227 1.00 0.00 C ATOM 83 O PRO A 9 10.660 7.013 1.049 1.00 0.00 O ATOM 84 CB PRO A 9 12.934 8.895 0.077 1.00 0.00 C ATOM 85 CG PRO A 9 13.751 7.650 0.021 1.00 0.00 C ATOM 86 CD PRO A 9 14.146 7.351 1.441 1.00 0.00 C ATOM 0 HA PRO A 9 12.029 9.790 1.881 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.234 8.947 -0.757 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.563 9.784 0.021 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.179 6.827 -0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.630 7.788 -0.608 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.217 6.278 1.621 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.117 7.781 1.687 1.00 0.00 H new ATOM 94 N ALA A 10 9.791 9.077 1.267 1.00 0.00 N ATOM 95 CA ALA A 10 8.413 8.634 1.097 1.00 0.00 C ATOM 96 C ALA A 10 8.258 7.794 -0.166 1.00 0.00 C ATOM 97 O ALA A 10 8.605 8.234 -1.263 1.00 0.00 O ATOM 98 CB ALA A 10 7.475 9.831 1.056 1.00 0.00 C ATOM 0 H ALA A 10 9.896 10.081 1.416 1.00 0.00 H new ATOM 0 HA ALA A 10 8.150 8.010 1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.449 9.485 0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.557 10.389 1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.746 10.477 0.221 1.00 0.00 H new ATOM 104 N VAL A 11 7.735 6.583 -0.006 1.00 0.00 N ATOM 105 CA VAL A 11 7.534 5.681 -1.134 1.00 0.00 C ATOM 106 C VAL A 11 6.936 6.419 -2.327 1.00 0.00 C ATOM 107 O VAL A 11 5.795 6.878 -2.278 1.00 0.00 O ATOM 108 CB VAL A 11 6.612 4.507 -0.757 1.00 0.00 C ATOM 109 CG1 VAL A 11 6.388 3.597 -1.955 1.00 0.00 C ATOM 110 CG2 VAL A 11 7.195 3.728 0.413 1.00 0.00 C ATOM 0 H VAL A 11 7.443 6.203 0.894 1.00 0.00 H new ATOM 0 HA VAL A 11 8.515 5.290 -1.405 1.00 0.00 H new ATOM 0 HB VAL A 11 5.646 4.909 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.734 2.773 -1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.925 4.165 -2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.345 3.200 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.531 2.902 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.174 3.336 0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.298 4.388 1.274 1.00 0.00 H new ATOM 120 N SER A 12 7.715 6.529 -3.399 1.00 0.00 N ATOM 121 CA SER A 12 7.264 7.214 -4.604 1.00 0.00 C ATOM 122 C SER A 12 7.173 6.244 -5.779 1.00 0.00 C ATOM 123 O SER A 12 7.496 5.063 -5.649 1.00 0.00 O ATOM 124 CB SER A 12 8.213 8.363 -4.949 1.00 0.00 C ATOM 125 OG SER A 12 9.555 7.913 -5.016 1.00 0.00 O ATOM 0 H SER A 12 8.661 6.152 -3.457 1.00 0.00 H new ATOM 0 HA SER A 12 6.270 7.619 -4.411 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.925 8.802 -5.904 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.126 9.148 -4.198 1.00 0.00 H new ATOM 0 HG SER A 12 10.142 8.666 -5.240 1.00 0.00 H new ATOM 131 N ASP A 13 6.732 6.752 -6.924 1.00 0.00 N ATOM 132 CA ASP A 13 6.600 5.932 -8.123 1.00 0.00 C ATOM 133 C ASP A 13 5.908 4.611 -7.804 1.00 0.00 C ATOM 134 O ASP A 13 6.426 3.537 -8.113 1.00 0.00 O ATOM 135 CB ASP A 13 7.974 5.667 -8.740 1.00 0.00 C ATOM 136 CG ASP A 13 7.907 5.472 -10.242 1.00 0.00 C ATOM 137 OD1 ASP A 13 7.545 4.360 -10.681 1.00 0.00 O ATOM 138 OD2 ASP A 13 8.214 6.432 -10.979 1.00 0.00 O ATOM 0 H ASP A 13 6.460 7.727 -7.048 1.00 0.00 H new ATOM 0 HA ASP A 13 5.988 6.478 -8.841 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.637 6.502 -8.514 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.410 4.780 -8.281 1.00 0.00 H new ATOM 143 N ILE A 14 4.736 4.697 -7.184 1.00 0.00 N ATOM 144 CA ILE A 14 3.974 3.508 -6.823 1.00 0.00 C ATOM 145 C ILE A 14 3.036 3.093 -7.951 1.00 0.00 C ATOM 146 O ILE A 14 2.099 3.816 -8.290 1.00 0.00 O ATOM 147 CB ILE A 14 3.150 3.734 -5.542 1.00 0.00 C ATOM 148 CG1 ILE A 14 4.055 4.213 -4.405 1.00 0.00 C ATOM 149 CG2 ILE A 14 2.424 2.457 -5.146 1.00 0.00 C ATOM 150 CD1 ILE A 14 3.317 4.965 -3.320 1.00 0.00 C ATOM 0 H ILE A 14 4.293 5.578 -6.921 1.00 0.00 H new ATOM 0 HA ILE A 14 4.697 2.712 -6.644 1.00 0.00 H new ATOM 0 HB ILE A 14 2.406 4.506 -5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.555 3.352 -3.963 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.832 4.856 -4.817 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.846 2.633 -4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.753 2.155 -5.951 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.152 1.666 -4.965 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.021 5.274 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.839 5.846 -3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.558 4.318 -2.881 1.00 0.00 H new ATOM 162 N ARG A 15 3.293 1.924 -8.528 1.00 0.00 N ATOM 163 CA ARG A 15 2.470 1.412 -9.617 1.00 0.00 C ATOM 164 C ARG A 15 1.807 0.095 -9.226 1.00 0.00 C ATOM 165 O ARG A 15 2.465 -0.821 -8.733 1.00 0.00 O ATOM 166 CB ARG A 15 3.319 1.214 -10.875 1.00 0.00 C ATOM 167 CG ARG A 15 4.108 2.449 -11.278 1.00 0.00 C ATOM 168 CD ARG A 15 5.030 2.161 -12.452 1.00 0.00 C ATOM 169 NE ARG A 15 4.336 1.476 -13.539 1.00 0.00 N ATOM 170 CZ ARG A 15 4.941 1.038 -14.638 1.00 0.00 C ATOM 171 NH1 ARG A 15 6.246 1.215 -14.795 1.00 0.00 N ATOM 172 NH2 ARG A 15 4.241 0.423 -15.582 1.00 0.00 N ATOM 0 H ARG A 15 4.065 1.313 -8.260 1.00 0.00 H new ATOM 0 HA ARG A 15 1.689 2.144 -9.824 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.012 0.389 -10.709 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.669 0.924 -11.700 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.420 3.252 -11.543 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.696 2.800 -10.430 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.448 3.097 -12.822 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.867 1.550 -12.114 1.00 0.00 H new ATOM 0 HE ARG A 15 3.331 1.325 -13.450 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.787 1.688 -14.071 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.708 0.878 -15.639 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.237 0.286 -15.465 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.707 0.087 -16.425 1.00 0.00 H new ATOM 186 N VAL A 16 0.499 0.008 -9.448 1.00 0.00 N ATOM 187 CA VAL A 16 -0.254 -1.196 -9.119 1.00 0.00 C ATOM 188 C VAL A 16 -0.554 -2.015 -10.369 1.00 0.00 C ATOM 189 O VAL A 16 -1.342 -1.603 -11.221 1.00 0.00 O ATOM 190 CB VAL A 16 -1.579 -0.854 -8.412 1.00 0.00 C ATOM 191 CG1 VAL A 16 -2.219 0.374 -9.042 1.00 0.00 C ATOM 192 CG2 VAL A 16 -2.528 -2.042 -8.457 1.00 0.00 C ATOM 0 H VAL A 16 -0.061 0.757 -9.854 1.00 0.00 H new ATOM 0 HA VAL A 16 0.368 -1.784 -8.444 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.366 -0.627 -7.367 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.154 0.600 -8.530 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.542 1.223 -8.953 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.421 0.179 -10.095 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.459 -1.783 -7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.737 -2.302 -9.495 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.069 -2.894 -7.955 1.00 0.00 H new ATOM 202 N THR A 17 0.079 -3.180 -10.474 1.00 0.00 N ATOM 203 CA THR A 17 -0.119 -4.057 -11.620 1.00 0.00 C ATOM 204 C THR A 17 -0.828 -5.343 -11.212 1.00 0.00 C ATOM 205 O THR A 17 -0.974 -5.633 -10.024 1.00 0.00 O ATOM 206 CB THR A 17 1.220 -4.414 -12.293 1.00 0.00 C ATOM 207 OG1 THR A 17 1.812 -5.541 -11.637 1.00 0.00 O ATOM 208 CG2 THR A 17 2.179 -3.234 -12.249 1.00 0.00 C ATOM 0 H THR A 17 0.733 -3.537 -9.778 1.00 0.00 H new ATOM 0 HA THR A 17 -0.740 -3.512 -12.331 1.00 0.00 H new ATOM 0 HB THR A 17 1.023 -4.663 -13.336 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.662 -5.763 -12.071 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.117 -3.510 -12.730 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.738 -2.387 -12.774 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.370 -2.959 -11.212 1.00 0.00 H new ATOM 216 N ARG A 18 -1.267 -6.112 -12.203 1.00 0.00 N ATOM 217 CA ARG A 18 -1.962 -7.368 -11.946 1.00 0.00 C ATOM 218 C ARG A 18 -3.263 -7.124 -11.189 1.00 0.00 C ATOM 219 O ARG A 18 -3.604 -7.863 -10.266 1.00 0.00 O ATOM 220 CB ARG A 18 -1.065 -8.317 -11.149 1.00 0.00 C ATOM 221 CG ARG A 18 0.145 -8.809 -11.927 1.00 0.00 C ATOM 222 CD ARG A 18 1.275 -9.220 -10.996 1.00 0.00 C ATOM 223 NE ARG A 18 2.129 -10.244 -11.592 1.00 0.00 N ATOM 224 CZ ARG A 18 3.327 -10.569 -11.118 1.00 0.00 C ATOM 225 NH1 ARG A 18 3.809 -9.954 -10.047 1.00 0.00 N ATOM 226 NH2 ARG A 18 4.045 -11.511 -11.716 1.00 0.00 N ATOM 0 H ARG A 18 -1.154 -5.887 -13.191 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.201 -7.826 -12.906 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.724 -7.809 -10.247 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.654 -9.176 -10.828 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.141 -9.656 -12.550 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.492 -8.023 -12.598 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.877 -8.346 -10.748 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.857 -9.595 -10.062 1.00 0.00 H new ATOM 0 HE ARG A 18 1.787 -10.737 -12.417 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.260 -9.229 -9.585 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.729 -10.206 -9.685 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.677 -11.986 -12.540 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.965 -11.760 -11.351 1.00 0.00 H new ATOM 240 N SER A 19 -3.986 -6.081 -11.585 1.00 0.00 N ATOM 241 CA SER A 19 -5.248 -5.736 -10.941 1.00 0.00 C ATOM 242 C SER A 19 -6.147 -6.963 -10.816 1.00 0.00 C ATOM 243 O SER A 19 -5.999 -7.932 -11.560 1.00 0.00 O ATOM 244 CB SER A 19 -5.967 -4.641 -11.731 1.00 0.00 C ATOM 245 OG SER A 19 -5.966 -4.930 -13.119 1.00 0.00 O ATOM 0 H SER A 19 -3.719 -5.460 -12.349 1.00 0.00 H new ATOM 0 HA SER A 19 -5.027 -5.365 -9.940 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.993 -4.547 -11.377 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.480 -3.682 -11.556 1.00 0.00 H new ATOM 0 HG SER A 19 -6.433 -4.216 -13.602 1.00 0.00 H new ATOM 251 N SER A 20 -7.079 -6.912 -9.870 1.00 0.00 N ATOM 252 CA SER A 20 -8.000 -8.019 -9.644 1.00 0.00 C ATOM 253 C SER A 20 -9.315 -7.520 -9.053 1.00 0.00 C ATOM 254 O SER A 20 -9.396 -6.432 -8.482 1.00 0.00 O ATOM 255 CB SER A 20 -7.369 -9.054 -8.710 1.00 0.00 C ATOM 256 OG SER A 20 -6.596 -9.993 -9.438 1.00 0.00 O ATOM 0 H SER A 20 -7.216 -6.116 -9.248 1.00 0.00 H new ATOM 0 HA SER A 20 -8.208 -8.487 -10.606 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.739 -8.551 -7.976 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.151 -9.573 -8.156 1.00 0.00 H new ATOM 0 HG SER A 20 -6.245 -9.569 -10.249 1.00 0.00 H new ATOM 262 N PRO A 21 -10.372 -8.334 -9.192 1.00 0.00 N ATOM 263 CA PRO A 21 -11.704 -7.997 -8.678 1.00 0.00 C ATOM 264 C PRO A 21 -11.761 -8.024 -7.155 1.00 0.00 C ATOM 265 O PRO A 21 -12.251 -7.085 -6.526 1.00 0.00 O ATOM 266 CB PRO A 21 -12.598 -9.092 -9.266 1.00 0.00 C ATOM 267 CG PRO A 21 -11.682 -10.243 -9.502 1.00 0.00 C ATOM 268 CD PRO A 21 -10.349 -9.645 -9.862 1.00 0.00 C ATOM 0 HA PRO A 21 -12.005 -6.987 -8.956 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.401 -9.359 -8.579 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.068 -8.764 -10.193 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.602 -10.867 -8.612 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.054 -10.879 -10.305 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.523 -10.262 -9.509 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.232 -9.543 -10.941 1.00 0.00 H new ATOM 276 N SER A 22 -11.256 -9.104 -6.567 1.00 0.00 N ATOM 277 CA SER A 22 -11.253 -9.253 -5.116 1.00 0.00 C ATOM 278 C SER A 22 -9.827 -9.282 -4.576 1.00 0.00 C ATOM 279 O SER A 22 -9.530 -9.987 -3.612 1.00 0.00 O ATOM 280 CB SER A 22 -11.989 -10.532 -4.713 1.00 0.00 C ATOM 281 OG SER A 22 -13.373 -10.288 -4.529 1.00 0.00 O ATOM 0 H SER A 22 -10.844 -9.888 -7.073 1.00 0.00 H new ATOM 0 HA SER A 22 -11.768 -8.394 -4.686 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.850 -11.293 -5.481 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.561 -10.927 -3.792 1.00 0.00 H new ATOM 0 HG SER A 22 -13.821 -11.121 -4.274 1.00 0.00 H new ATOM 287 N SER A 23 -8.947 -8.509 -5.206 1.00 0.00 N ATOM 288 CA SER A 23 -7.550 -8.448 -4.792 1.00 0.00 C ATOM 289 C SER A 23 -6.792 -7.393 -5.592 1.00 0.00 C ATOM 290 O SER A 23 -7.265 -6.925 -6.629 1.00 0.00 O ATOM 291 CB SER A 23 -6.883 -9.814 -4.968 1.00 0.00 C ATOM 292 OG SER A 23 -6.567 -10.056 -6.328 1.00 0.00 O ATOM 0 H SER A 23 -9.177 -7.917 -6.004 1.00 0.00 H new ATOM 0 HA SER A 23 -7.521 -8.171 -3.738 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.975 -9.859 -4.367 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.547 -10.596 -4.601 1.00 0.00 H new ATOM 0 HG SER A 23 -6.141 -10.934 -6.413 1.00 0.00 H new ATOM 298 N LEU A 24 -5.613 -7.023 -5.104 1.00 0.00 N ATOM 299 CA LEU A 24 -4.788 -6.024 -5.773 1.00 0.00 C ATOM 300 C LEU A 24 -3.313 -6.222 -5.438 1.00 0.00 C ATOM 301 O LEU A 24 -2.965 -6.580 -4.313 1.00 0.00 O ATOM 302 CB LEU A 24 -5.229 -4.616 -5.368 1.00 0.00 C ATOM 303 CG LEU A 24 -6.676 -4.246 -5.696 1.00 0.00 C ATOM 304 CD1 LEU A 24 -7.088 -2.988 -4.948 1.00 0.00 C ATOM 305 CD2 LEU A 24 -6.852 -4.058 -7.196 1.00 0.00 C ATOM 0 H LEU A 24 -5.207 -7.400 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.917 -6.144 -6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.081 -4.506 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.571 -3.896 -5.856 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.321 -5.063 -5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.121 -2.740 -5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.001 -3.158 -3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.438 -2.163 -5.238 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.888 -3.795 -7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.196 -3.259 -7.542 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.599 -4.985 -7.711 1.00 0.00 H new ATOM 317 N SER A 25 -2.451 -5.986 -6.421 1.00 0.00 N ATOM 318 CA SER A 25 -1.013 -6.140 -6.231 1.00 0.00 C ATOM 319 C SER A 25 -0.295 -4.806 -6.407 1.00 0.00 C ATOM 320 O SER A 25 -0.408 -4.160 -7.450 1.00 0.00 O ATOM 321 CB SER A 25 -0.455 -7.167 -7.218 1.00 0.00 C ATOM 322 OG SER A 25 0.747 -7.740 -6.733 1.00 0.00 O ATOM 0 H SER A 25 -2.723 -5.687 -7.358 1.00 0.00 H new ATOM 0 HA SER A 25 -0.841 -6.493 -5.214 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.193 -7.951 -7.388 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.271 -6.689 -8.180 1.00 0.00 H new ATOM 0 HG SER A 25 0.903 -7.442 -5.812 1.00 0.00 H new ATOM 328 N LEU A 26 0.442 -4.398 -5.381 1.00 0.00 N ATOM 329 CA LEU A 26 1.180 -3.140 -5.420 1.00 0.00 C ATOM 330 C LEU A 26 2.674 -3.390 -5.600 1.00 0.00 C ATOM 331 O LEU A 26 3.162 -4.493 -5.358 1.00 0.00 O ATOM 332 CB LEU A 26 0.935 -2.342 -4.138 1.00 0.00 C ATOM 333 CG LEU A 26 -0.526 -2.029 -3.811 1.00 0.00 C ATOM 334 CD1 LEU A 26 -0.697 -1.783 -2.320 1.00 0.00 C ATOM 335 CD2 LEU A 26 -1.006 -0.827 -4.611 1.00 0.00 C ATOM 0 H LEU A 26 0.545 -4.920 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 26 0.822 -2.564 -6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.363 -2.895 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.480 -1.401 -4.210 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.134 -2.890 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.742 -1.562 -2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.393 -2.672 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.078 -0.939 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.047 -0.619 -4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.395 0.041 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.920 -1.041 -5.676 1.00 0.00 H new ATOM 347 N ALA A 27 3.394 -2.357 -6.024 1.00 0.00 N ATOM 348 CA ALA A 27 4.833 -2.463 -6.231 1.00 0.00 C ATOM 349 C ALA A 27 5.460 -1.090 -6.447 1.00 0.00 C ATOM 350 O ALA A 27 5.010 -0.318 -7.294 1.00 0.00 O ATOM 351 CB ALA A 27 5.130 -3.372 -7.415 1.00 0.00 C ATOM 0 H ALA A 27 3.005 -1.437 -6.231 1.00 0.00 H new ATOM 0 HA ALA A 27 5.273 -2.897 -5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.208 -3.442 -7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.724 -4.365 -7.222 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.671 -2.961 -8.314 1.00 0.00 H new ATOM 357 N TRP A 28 6.499 -0.791 -5.675 1.00 0.00 N ATOM 358 CA TRP A 28 7.186 0.491 -5.782 1.00 0.00 C ATOM 359 C TRP A 28 8.599 0.307 -6.327 1.00 0.00 C ATOM 360 O TRP A 28 9.094 -0.815 -6.426 1.00 0.00 O ATOM 361 CB TRP A 28 7.238 1.180 -4.418 1.00 0.00 C ATOM 362 CG TRP A 28 7.270 0.219 -3.268 1.00 0.00 C ATOM 363 CD1 TRP A 28 8.273 0.069 -2.353 1.00 0.00 C ATOM 364 CD2 TRP A 28 6.255 -0.725 -2.912 1.00 0.00 C ATOM 365 NE1 TRP A 28 7.942 -0.912 -1.449 1.00 0.00 N ATOM 366 CE2 TRP A 28 6.708 -1.414 -1.770 1.00 0.00 C ATOM 367 CE3 TRP A 28 5.005 -1.054 -3.445 1.00 0.00 C ATOM 368 CZ2 TRP A 28 5.956 -2.412 -1.155 1.00 0.00 C ATOM 369 CZ3 TRP A 28 4.261 -2.045 -2.834 1.00 0.00 C ATOM 370 CH2 TRP A 28 4.737 -2.714 -1.698 1.00 0.00 C ATOM 0 H TRP A 28 6.884 -1.418 -4.969 1.00 0.00 H new ATOM 0 HA TRP A 28 6.627 1.118 -6.477 1.00 0.00 H new ATOM 0 HB2 TRP A 28 8.121 1.817 -4.374 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.370 1.831 -4.314 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.191 0.638 -2.342 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.521 -1.217 -0.666 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.628 -0.543 -4.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.322 -2.929 -0.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.295 -2.309 -3.239 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.130 -3.482 -1.243 1.00 0.00 H new ATOM 381 N ALA A 29 9.242 1.416 -6.677 1.00 0.00 N ATOM 382 CA ALA A 29 10.598 1.376 -7.210 1.00 0.00 C ATOM 383 C ALA A 29 11.626 1.630 -6.112 1.00 0.00 C ATOM 384 O ALA A 29 11.705 2.729 -5.564 1.00 0.00 O ATOM 385 CB ALA A 29 10.756 2.395 -8.329 1.00 0.00 C ATOM 0 H ALA A 29 8.846 2.353 -6.601 1.00 0.00 H new ATOM 0 HA ALA A 29 10.774 0.379 -7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.774 2.354 -8.718 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.052 2.168 -9.130 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.555 3.394 -7.942 1.00 0.00 H new ATOM 391 N VAL A 30 12.412 0.606 -5.796 1.00 0.00 N ATOM 392 CA VAL A 30 13.436 0.718 -4.764 1.00 0.00 C ATOM 393 C VAL A 30 14.024 2.124 -4.724 1.00 0.00 C ATOM 394 O VAL A 30 14.928 2.468 -5.486 1.00 0.00 O ATOM 395 CB VAL A 30 14.573 -0.296 -4.989 1.00 0.00 C ATOM 396 CG1 VAL A 30 15.562 -0.254 -3.834 1.00 0.00 C ATOM 397 CG2 VAL A 30 14.009 -1.697 -5.168 1.00 0.00 C ATOM 0 H VAL A 30 12.359 -0.311 -6.240 1.00 0.00 H new ATOM 0 HA VAL A 30 12.951 0.503 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 30 15.104 -0.024 -5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.358 -0.977 -4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 30 15.990 0.746 -3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.047 -0.500 -2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.826 -2.401 -5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.452 -1.982 -4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.344 -1.714 -6.031 1.00 0.00 H new ATOM 407 N PRO A 31 13.500 2.959 -3.814 1.00 0.00 N ATOM 408 CA PRO A 31 13.959 4.342 -3.651 1.00 0.00 C ATOM 409 C PRO A 31 15.363 4.421 -3.061 1.00 0.00 C ATOM 410 O PRO A 31 15.926 3.412 -2.636 1.00 0.00 O ATOM 411 CB PRO A 31 12.937 4.943 -2.683 1.00 0.00 C ATOM 412 CG PRO A 31 12.409 3.779 -1.918 1.00 0.00 C ATOM 413 CD PRO A 31 12.421 2.617 -2.872 1.00 0.00 C ATOM 0 HA PRO A 31 14.022 4.866 -4.605 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.401 5.674 -2.021 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.140 5.459 -3.219 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.028 3.573 -1.044 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.400 3.976 -1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.620 1.677 -2.357 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.464 2.505 -3.381 1.00 0.00 H new ATOM 421 N ARG A 32 15.922 5.627 -3.037 1.00 0.00 N ATOM 422 CA ARG A 32 17.261 5.837 -2.499 1.00 0.00 C ATOM 423 C ARG A 32 17.195 6.452 -1.104 1.00 0.00 C ATOM 424 O ARG A 32 16.868 7.628 -0.947 1.00 0.00 O ATOM 425 CB ARG A 32 18.071 6.742 -3.429 1.00 0.00 C ATOM 426 CG ARG A 32 18.676 6.010 -4.615 1.00 0.00 C ATOM 427 CD ARG A 32 19.823 6.797 -5.230 1.00 0.00 C ATOM 428 NE ARG A 32 19.376 8.070 -5.789 1.00 0.00 N ATOM 429 CZ ARG A 32 20.129 8.833 -6.573 1.00 0.00 C ATOM 430 NH1 ARG A 32 21.359 8.454 -6.889 1.00 0.00 N ATOM 431 NH2 ARG A 32 19.651 9.978 -7.043 1.00 0.00 N ATOM 0 H ARG A 32 15.469 6.473 -3.383 1.00 0.00 H new ATOM 0 HA ARG A 32 17.753 4.867 -2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 32 17.427 7.541 -3.796 1.00 0.00 H new ATOM 0 HB3 ARG A 32 18.870 7.214 -2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 32 19.035 5.032 -4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 32 17.907 5.837 -5.368 1.00 0.00 H new ATOM 0 HD2 ARG A 32 20.584 6.981 -4.471 1.00 0.00 H new ATOM 0 HD3 ARG A 32 20.292 6.202 -6.014 1.00 0.00 H new ATOM 0 HE ARG A 32 18.434 8.391 -5.565 1.00 0.00 H new ATOM 0 HH11 ARG A 32 21.730 7.574 -6.530 1.00 0.00 H new ATOM 0 HH12 ARG A 32 21.935 9.042 -7.491 1.00 0.00 H new ATOM 0 HH21 ARG A 32 18.705 10.273 -6.802 1.00 0.00 H new ATOM 0 HH22 ARG A 32 20.230 10.564 -7.645 1.00 0.00 H new ATOM 445 N ALA A 33 17.509 5.648 -0.093 1.00 0.00 N ATOM 446 CA ALA A 33 17.487 6.113 1.288 1.00 0.00 C ATOM 447 C ALA A 33 18.895 6.425 1.785 1.00 0.00 C ATOM 448 O ALA A 33 19.841 5.672 1.554 1.00 0.00 O ATOM 449 CB ALA A 33 16.827 5.075 2.184 1.00 0.00 C ATOM 0 H ALA A 33 17.782 4.671 -0.205 1.00 0.00 H new ATOM 0 HA ALA A 33 16.904 7.033 1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.817 5.436 3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.804 4.904 1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.387 4.141 2.132 1.00 0.00 H new ATOM 455 N PRO A 34 19.039 7.561 2.483 1.00 0.00 N ATOM 456 CA PRO A 34 20.328 7.998 3.026 1.00 0.00 C ATOM 457 C PRO A 34 20.802 7.116 4.176 1.00 0.00 C ATOM 458 O PRO A 34 21.965 6.716 4.226 1.00 0.00 O ATOM 459 CB PRO A 34 20.040 9.417 3.523 1.00 0.00 C ATOM 460 CG PRO A 34 18.577 9.431 3.804 1.00 0.00 C ATOM 461 CD PRO A 34 17.953 8.506 2.796 1.00 0.00 C ATOM 0 HA PRO A 34 21.123 7.945 2.282 1.00 0.00 H new ATOM 0 HB2 PRO A 34 20.617 9.647 4.418 1.00 0.00 H new ATOM 0 HB3 PRO A 34 20.306 10.161 2.772 1.00 0.00 H new ATOM 0 HG2 PRO A 34 18.372 9.096 4.821 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.172 10.439 3.712 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.081 7.995 3.205 1.00 0.00 H new ATOM 0 HD3 PRO A 34 17.620 9.044 1.908 1.00 0.00 H new ATOM 469 N SER A 35 19.893 6.817 5.099 1.00 0.00 N ATOM 470 CA SER A 35 20.220 5.984 6.251 1.00 0.00 C ATOM 471 C SER A 35 20.118 4.504 5.898 1.00 0.00 C ATOM 472 O SER A 35 19.052 3.900 6.005 1.00 0.00 O ATOM 473 CB SER A 35 19.287 6.306 7.420 1.00 0.00 C ATOM 474 OG SER A 35 19.563 7.590 7.954 1.00 0.00 O ATOM 0 H SER A 35 18.925 7.139 5.072 1.00 0.00 H new ATOM 0 HA SER A 35 21.247 6.200 6.544 1.00 0.00 H new ATOM 0 HB2 SER A 35 18.251 6.263 7.085 1.00 0.00 H new ATOM 0 HB3 SER A 35 19.401 5.552 8.199 1.00 0.00 H new ATOM 0 HG SER A 35 18.786 7.908 8.460 1.00 0.00 H new ATOM 480 N GLY A 36 21.238 3.924 5.475 1.00 0.00 N ATOM 481 CA GLY A 36 21.255 2.519 5.112 1.00 0.00 C ATOM 482 C GLY A 36 20.249 2.189 4.026 1.00 0.00 C ATOM 483 O GLY A 36 19.461 3.043 3.620 1.00 0.00 O ATOM 0 H GLY A 36 22.134 4.402 5.377 1.00 0.00 H new ATOM 0 HA2 GLY A 36 22.254 2.247 4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.043 1.916 5.995 1.00 0.00 H new ATOM 487 N ALA A 37 20.277 0.947 3.554 1.00 0.00 N ATOM 488 CA ALA A 37 19.361 0.506 2.510 1.00 0.00 C ATOM 489 C ALA A 37 18.012 0.104 3.096 1.00 0.00 C ATOM 490 O ALA A 37 17.947 -0.601 4.103 1.00 0.00 O ATOM 491 CB ALA A 37 19.967 -0.652 1.731 1.00 0.00 C ATOM 0 H ALA A 37 20.924 0.229 3.878 1.00 0.00 H new ATOM 0 HA ALA A 37 19.197 1.341 1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 37 19.272 -0.971 0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.902 -0.332 1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 37 20.162 -1.484 2.408 1.00 0.00 H new ATOM 497 N VAL A 38 16.937 0.558 2.460 1.00 0.00 N ATOM 498 CA VAL A 38 15.589 0.246 2.919 1.00 0.00 C ATOM 499 C VAL A 38 15.507 -1.179 3.456 1.00 0.00 C ATOM 500 O VAL A 38 15.969 -2.123 2.813 1.00 0.00 O ATOM 501 CB VAL A 38 14.557 0.416 1.788 1.00 0.00 C ATOM 502 CG1 VAL A 38 13.150 0.157 2.305 1.00 0.00 C ATOM 503 CG2 VAL A 38 14.662 1.806 1.178 1.00 0.00 C ATOM 0 H VAL A 38 16.973 1.143 1.625 1.00 0.00 H new ATOM 0 HA VAL A 38 15.358 0.948 3.721 1.00 0.00 H new ATOM 0 HB VAL A 38 14.772 -0.316 1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.435 0.282 1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.086 -0.860 2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.920 0.863 3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.926 1.910 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 38 14.473 2.556 1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 38 15.662 1.950 0.770 1.00 0.00 H new ATOM 513 N LEU A 39 14.917 -1.328 4.637 1.00 0.00 N ATOM 514 CA LEU A 39 14.774 -2.639 5.261 1.00 0.00 C ATOM 515 C LEU A 39 13.464 -3.299 4.845 1.00 0.00 C ATOM 516 O LEU A 39 13.460 -4.397 4.287 1.00 0.00 O ATOM 517 CB LEU A 39 14.833 -2.510 6.784 1.00 0.00 C ATOM 518 CG LEU A 39 16.133 -1.946 7.360 1.00 0.00 C ATOM 519 CD1 LEU A 39 16.007 -1.741 8.861 1.00 0.00 C ATOM 520 CD2 LEU A 39 17.301 -2.869 7.042 1.00 0.00 C ATOM 0 H LEU A 39 14.530 -0.557 5.182 1.00 0.00 H new ATOM 0 HA LEU A 39 15.599 -3.267 4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.010 -1.873 7.107 1.00 0.00 H new ATOM 0 HB3 LEU A 39 14.664 -3.495 7.219 1.00 0.00 H new ATOM 0 HG LEU A 39 16.324 -0.978 6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 39 16.941 -1.339 9.253 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.197 -1.041 9.066 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.792 -2.695 9.342 1.00 0.00 H new ATOM 0 HD21 LEU A 39 18.218 -2.453 7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 39 17.118 -3.851 7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 39 17.405 -2.965 5.961 1.00 0.00 H new ATOM 532 N ASP A 40 12.354 -2.623 5.120 1.00 0.00 N ATOM 533 CA ASP A 40 11.036 -3.143 4.772 1.00 0.00 C ATOM 534 C ASP A 40 10.052 -2.005 4.520 1.00 0.00 C ATOM 535 O ASP A 40 10.423 -0.831 4.554 1.00 0.00 O ATOM 536 CB ASP A 40 10.512 -4.050 5.886 1.00 0.00 C ATOM 537 CG ASP A 40 11.619 -4.832 6.565 1.00 0.00 C ATOM 538 OD1 ASP A 40 12.480 -4.200 7.213 1.00 0.00 O ATOM 539 OD2 ASP A 40 11.623 -6.075 6.451 1.00 0.00 O ATOM 0 H ASP A 40 12.340 -1.714 5.583 1.00 0.00 H new ATOM 0 HA ASP A 40 11.132 -3.725 3.856 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.991 -3.445 6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.782 -4.745 5.471 1.00 0.00 H new ATOM 544 N TYR A 41 8.798 -2.360 4.267 1.00 0.00 N ATOM 545 CA TYR A 41 7.761 -1.368 4.006 1.00 0.00 C ATOM 546 C TYR A 41 6.486 -1.696 4.778 1.00 0.00 C ATOM 547 O TYR A 41 6.314 -2.813 5.265 1.00 0.00 O ATOM 548 CB TYR A 41 7.459 -1.298 2.508 1.00 0.00 C ATOM 549 CG TYR A 41 8.698 -1.244 1.643 1.00 0.00 C ATOM 550 CD1 TYR A 41 9.416 -2.398 1.352 1.00 0.00 C ATOM 551 CD2 TYR A 41 9.150 -0.041 1.116 1.00 0.00 C ATOM 552 CE1 TYR A 41 10.549 -2.354 0.563 1.00 0.00 C ATOM 553 CE2 TYR A 41 10.281 0.012 0.324 1.00 0.00 C ATOM 554 CZ TYR A 41 10.977 -1.147 0.051 1.00 0.00 C ATOM 555 OH TYR A 41 12.104 -1.098 -0.737 1.00 0.00 O ATOM 0 H TYR A 41 8.474 -3.327 4.237 1.00 0.00 H new ATOM 0 HA TYR A 41 8.128 -0.398 4.342 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.866 -2.167 2.224 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.849 -0.417 2.310 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.082 -3.345 1.750 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.608 0.869 1.329 1.00 0.00 H new ATOM 0 HE1 TYR A 41 11.097 -3.260 0.348 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.618 0.956 -0.079 1.00 0.00 H new ATOM 0 HH TYR A 41 12.267 -0.173 -1.017 1.00 0.00 H new ATOM 565 N GLU A 42 5.597 -0.714 4.884 1.00 0.00 N ATOM 566 CA GLU A 42 4.338 -0.898 5.597 1.00 0.00 C ATOM 567 C GLU A 42 3.156 -0.472 4.732 1.00 0.00 C ATOM 568 O GLU A 42 2.897 0.719 4.558 1.00 0.00 O ATOM 569 CB GLU A 42 4.344 -0.098 6.902 1.00 0.00 C ATOM 570 CG GLU A 42 3.498 -0.720 8.000 1.00 0.00 C ATOM 571 CD GLU A 42 4.268 -1.728 8.830 1.00 0.00 C ATOM 572 OE1 GLU A 42 5.273 -2.270 8.324 1.00 0.00 O ATOM 573 OE2 GLU A 42 3.866 -1.975 9.987 1.00 0.00 O ATOM 0 H GLU A 42 5.725 0.216 4.486 1.00 0.00 H new ATOM 0 HA GLU A 42 4.233 -1.958 5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.371 -0.003 7.256 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.981 0.910 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.119 0.067 8.651 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.632 -1.209 7.553 1.00 0.00 H new ATOM 580 N VAL A 43 2.441 -1.453 4.191 1.00 0.00 N ATOM 581 CA VAL A 43 1.286 -1.182 3.345 1.00 0.00 C ATOM 582 C VAL A 43 0.020 -1.019 4.178 1.00 0.00 C ATOM 583 O VAL A 43 -0.361 -1.916 4.930 1.00 0.00 O ATOM 584 CB VAL A 43 1.069 -2.305 2.314 1.00 0.00 C ATOM 585 CG1 VAL A 43 -0.222 -2.079 1.542 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.257 -2.398 1.368 1.00 0.00 C ATOM 0 H VAL A 43 2.642 -2.444 4.324 1.00 0.00 H new ATOM 0 HA VAL A 43 1.492 -0.251 2.818 1.00 0.00 H new ATOM 0 HB VAL A 43 0.984 -3.252 2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.358 -2.882 0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.063 -2.068 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.171 -1.124 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.086 -3.197 0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.377 -1.452 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.161 -2.612 1.939 1.00 0.00 H new ATOM 596 N LYS A 44 -0.629 0.132 4.039 1.00 0.00 N ATOM 597 CA LYS A 44 -1.855 0.413 4.777 1.00 0.00 C ATOM 598 C LYS A 44 -3.013 0.688 3.824 1.00 0.00 C ATOM 599 O LYS A 44 -3.010 1.682 3.098 1.00 0.00 O ATOM 600 CB LYS A 44 -1.651 1.611 5.708 1.00 0.00 C ATOM 601 CG LYS A 44 -2.639 1.662 6.860 1.00 0.00 C ATOM 602 CD LYS A 44 -2.341 2.819 7.799 1.00 0.00 C ATOM 603 CE LYS A 44 -2.967 4.114 7.305 1.00 0.00 C ATOM 604 NZ LYS A 44 -4.379 4.255 7.756 1.00 0.00 N ATOM 0 H LYS A 44 -0.326 0.886 3.422 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.100 -0.466 5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.638 1.579 6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.735 2.530 5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.651 1.762 6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.602 0.724 7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.719 2.588 8.795 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.262 2.947 7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.384 4.961 7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.929 4.143 6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.555 5.239 8.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.019 4.004 6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.551 3.621 8.563 1.00 0.00 H new ATOM 618 N TYR A 45 -4.003 -0.198 3.833 1.00 0.00 N ATOM 619 CA TYR A 45 -5.168 -0.051 2.968 1.00 0.00 C ATOM 620 C TYR A 45 -6.455 -0.027 3.787 1.00 0.00 C ATOM 621 O TYR A 45 -6.521 -0.592 4.879 1.00 0.00 O ATOM 622 CB TYR A 45 -5.220 -1.191 1.949 1.00 0.00 C ATOM 623 CG TYR A 45 -5.352 -2.559 2.578 1.00 0.00 C ATOM 624 CD1 TYR A 45 -4.283 -3.145 3.245 1.00 0.00 C ATOM 625 CD2 TYR A 45 -6.546 -3.267 2.506 1.00 0.00 C ATOM 626 CE1 TYR A 45 -4.398 -4.396 3.820 1.00 0.00 C ATOM 627 CE2 TYR A 45 -6.671 -4.517 3.080 1.00 0.00 C ATOM 628 CZ TYR A 45 -5.594 -5.078 3.735 1.00 0.00 C ATOM 629 OH TYR A 45 -5.714 -6.323 4.308 1.00 0.00 O ATOM 0 H TYR A 45 -4.022 -1.025 4.429 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.078 0.897 2.438 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.061 -1.027 1.276 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.316 -1.165 1.341 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.346 -2.613 3.315 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.391 -2.832 1.992 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.556 -4.837 4.333 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.607 -5.052 3.016 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.967 -6.473 4.924 1.00 0.00 H new ATOM 639 N HIS A 46 -7.478 0.632 3.251 1.00 0.00 N ATOM 640 CA HIS A 46 -8.765 0.730 3.930 1.00 0.00 C ATOM 641 C HIS A 46 -9.795 1.425 3.045 1.00 0.00 C ATOM 642 O HIS A 46 -9.445 2.250 2.201 1.00 0.00 O ATOM 643 CB HIS A 46 -8.613 1.488 5.249 1.00 0.00 C ATOM 644 CG HIS A 46 -8.584 2.977 5.084 1.00 0.00 C ATOM 645 ND1 HIS A 46 -7.867 3.610 4.090 1.00 0.00 N ATOM 646 CD2 HIS A 46 -9.190 3.958 5.792 1.00 0.00 C ATOM 647 CE1 HIS A 46 -8.033 4.916 4.196 1.00 0.00 C ATOM 648 NE2 HIS A 46 -8.831 5.154 5.220 1.00 0.00 N ATOM 0 H HIS A 46 -7.440 1.106 2.349 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.116 -0.281 4.139 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -9.437 1.220 5.910 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.694 1.167 5.739 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.836 3.825 6.647 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.591 5.663 3.553 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.132 6.076 5.535 1.00 0.00 H new ATOM 657 N GLU A 47 -11.065 1.087 3.245 1.00 0.00 N ATOM 658 CA GLU A 47 -12.144 1.678 2.463 1.00 0.00 C ATOM 659 C GLU A 47 -12.392 3.124 2.884 1.00 0.00 C ATOM 660 O GLU A 47 -12.895 3.387 3.976 1.00 0.00 O ATOM 661 CB GLU A 47 -13.428 0.861 2.625 1.00 0.00 C ATOM 662 CG GLU A 47 -14.334 0.904 1.406 1.00 0.00 C ATOM 663 CD GLU A 47 -15.347 -0.224 1.392 1.00 0.00 C ATOM 664 OE1 GLU A 47 -15.015 -1.327 1.875 1.00 0.00 O ATOM 665 OE2 GLU A 47 -16.473 -0.004 0.899 1.00 0.00 O ATOM 0 H GLU A 47 -11.371 0.408 3.941 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.846 1.669 1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.165 -0.176 2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.978 1.232 3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.859 1.859 1.382 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.725 0.852 0.503 1.00 0.00 H new ATOM 672 N LYS A 48 -12.034 4.058 2.010 1.00 0.00 N ATOM 673 CA LYS A 48 -12.217 5.478 2.288 1.00 0.00 C ATOM 674 C LYS A 48 -13.537 5.725 3.011 1.00 0.00 C ATOM 675 O LYS A 48 -14.564 5.143 2.663 1.00 0.00 O ATOM 676 CB LYS A 48 -12.176 6.283 0.988 1.00 0.00 C ATOM 677 CG LYS A 48 -11.643 7.694 1.163 1.00 0.00 C ATOM 678 CD LYS A 48 -12.760 8.677 1.473 1.00 0.00 C ATOM 679 CE LYS A 48 -13.348 9.271 0.202 1.00 0.00 C ATOM 680 NZ LYS A 48 -14.095 10.530 0.473 1.00 0.00 N ATOM 0 H LYS A 48 -11.615 3.857 1.102 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.403 5.804 2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.555 5.756 0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.181 6.333 0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.909 7.710 1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.126 8.004 0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.544 8.172 2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.377 9.477 2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.547 9.470 -0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.015 8.546 -0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.480 10.904 -0.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.875 10.336 1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.452 11.231 0.893 1.00 0.00 H new ATOM 694 N GLY A 49 -13.503 6.592 4.017 1.00 0.00 N ATOM 695 CA GLY A 49 -14.704 6.902 4.771 1.00 0.00 C ATOM 696 C GLY A 49 -15.277 5.686 5.473 1.00 0.00 C ATOM 697 O GLY A 49 -16.447 5.351 5.291 1.00 0.00 O ATOM 0 H GLY A 49 -12.665 7.086 4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.477 7.671 5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.455 7.317 4.099 1.00 0.00 H new ATOM 701 N ALA A 50 -14.451 5.024 6.275 1.00 0.00 N ATOM 702 CA ALA A 50 -14.883 3.839 7.007 1.00 0.00 C ATOM 703 C ALA A 50 -15.044 4.140 8.493 1.00 0.00 C ATOM 704 O ALA A 50 -14.901 5.284 8.923 1.00 0.00 O ATOM 705 CB ALA A 50 -13.893 2.702 6.800 1.00 0.00 C ATOM 0 H ALA A 50 -13.479 5.288 6.435 1.00 0.00 H new ATOM 0 HA ALA A 50 -15.855 3.535 6.618 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -14.227 1.823 7.352 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -13.831 2.462 5.739 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.910 3.005 7.161 1.00 0.00 H new ATOM 711 N GLU A 51 -15.344 3.105 9.272 1.00 0.00 N ATOM 712 CA GLU A 51 -15.526 3.260 10.710 1.00 0.00 C ATOM 713 C GLU A 51 -14.408 4.108 11.312 1.00 0.00 C ATOM 714 O GLU A 51 -14.644 5.217 11.788 1.00 0.00 O ATOM 715 CB GLU A 51 -15.567 1.891 11.393 1.00 0.00 C ATOM 716 CG GLU A 51 -16.858 1.129 11.150 1.00 0.00 C ATOM 717 CD GLU A 51 -18.080 1.879 11.643 1.00 0.00 C ATOM 718 OE1 GLU A 51 -18.169 2.130 12.864 1.00 0.00 O ATOM 719 OE2 GLU A 51 -18.948 2.214 10.810 1.00 0.00 O ATOM 0 H GLU A 51 -15.466 2.151 8.931 1.00 0.00 H new ATOM 0 HA GLU A 51 -16.475 3.769 10.877 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.729 1.292 11.038 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.431 2.025 12.466 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.964 0.931 10.083 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.804 0.162 11.650 1.00 0.00 H new ATOM 726 N GLY A 52 -13.191 3.575 11.287 1.00 0.00 N ATOM 727 CA GLY A 52 -12.054 4.294 11.833 1.00 0.00 C ATOM 728 C GLY A 52 -10.740 3.586 11.571 1.00 0.00 C ATOM 729 O GLY A 52 -10.585 2.864 10.586 1.00 0.00 O ATOM 0 H GLY A 52 -12.971 2.658 10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.018 5.293 11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.188 4.418 12.908 1.00 0.00 H new ATOM 733 N PRO A 53 -9.763 3.793 12.466 1.00 0.00 N ATOM 734 CA PRO A 53 -8.437 3.179 12.348 1.00 0.00 C ATOM 735 C PRO A 53 -8.472 1.674 12.588 1.00 0.00 C ATOM 736 O PRO A 53 -7.435 1.011 12.584 1.00 0.00 O ATOM 737 CB PRO A 53 -7.625 3.876 13.442 1.00 0.00 C ATOM 738 CG PRO A 53 -8.636 4.313 14.445 1.00 0.00 C ATOM 739 CD PRO A 53 -9.878 4.642 13.664 1.00 0.00 C ATOM 0 HA PRO A 53 -8.020 3.298 11.348 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.895 3.199 13.885 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.071 4.725 13.043 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.830 3.525 15.173 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.284 5.181 15.002 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.781 4.416 14.231 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.921 5.700 13.404 1.00 0.00 H new ATOM 747 N SER A 54 -9.672 1.140 12.796 1.00 0.00 N ATOM 748 CA SER A 54 -9.841 -0.288 13.041 1.00 0.00 C ATOM 749 C SER A 54 -10.153 -1.028 11.744 1.00 0.00 C ATOM 750 O SER A 54 -9.771 -2.186 11.570 1.00 0.00 O ATOM 751 CB SER A 54 -10.960 -0.523 14.058 1.00 0.00 C ATOM 752 OG SER A 54 -11.262 -1.903 14.174 1.00 0.00 O ATOM 0 H SER A 54 -10.541 1.674 12.800 1.00 0.00 H new ATOM 0 HA SER A 54 -8.906 -0.676 13.444 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.661 -0.130 15.030 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.853 0.024 13.754 1.00 0.00 H new ATOM 0 HG SER A 54 -11.979 -2.027 14.831 1.00 0.00 H new ATOM 758 N SER A 55 -10.849 -0.352 10.837 1.00 0.00 N ATOM 759 CA SER A 55 -11.216 -0.945 9.556 1.00 0.00 C ATOM 760 C SER A 55 -9.993 -1.101 8.659 1.00 0.00 C ATOM 761 O SER A 55 -9.961 -1.957 7.775 1.00 0.00 O ATOM 762 CB SER A 55 -12.271 -0.087 8.856 1.00 0.00 C ATOM 763 OG SER A 55 -13.578 -0.443 9.274 1.00 0.00 O ATOM 0 H SER A 55 -11.171 0.607 10.965 1.00 0.00 H new ATOM 0 HA SER A 55 -11.632 -1.934 9.748 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.091 0.966 9.073 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.185 -0.209 7.776 1.00 0.00 H new ATOM 0 HG SER A 55 -14.234 0.121 8.813 1.00 0.00 H new ATOM 769 N VAL A 56 -8.986 -0.265 8.892 1.00 0.00 N ATOM 770 CA VAL A 56 -7.758 -0.309 8.106 1.00 0.00 C ATOM 771 C VAL A 56 -6.822 -1.402 8.609 1.00 0.00 C ATOM 772 O VAL A 56 -6.585 -1.526 9.811 1.00 0.00 O ATOM 773 CB VAL A 56 -7.019 1.042 8.144 1.00 0.00 C ATOM 774 CG1 VAL A 56 -6.812 1.497 9.580 1.00 0.00 C ATOM 775 CG2 VAL A 56 -5.690 0.942 7.410 1.00 0.00 C ATOM 0 H VAL A 56 -8.996 0.451 9.619 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.048 -0.528 7.078 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.633 1.787 7.638 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.288 2.453 9.587 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.780 1.610 10.069 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.219 0.755 10.115 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.181 1.905 7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.068 0.184 7.886 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.868 0.665 6.371 1.00 0.00 H new ATOM 785 N ARG A 57 -6.293 -2.193 7.682 1.00 0.00 N ATOM 786 CA ARG A 57 -5.383 -3.277 8.031 1.00 0.00 C ATOM 787 C ARG A 57 -3.939 -2.899 7.712 1.00 0.00 C ATOM 788 O ARG A 57 -3.684 -1.951 6.969 1.00 0.00 O ATOM 789 CB ARG A 57 -5.765 -4.554 7.281 1.00 0.00 C ATOM 790 CG ARG A 57 -7.069 -5.173 7.756 1.00 0.00 C ATOM 791 CD ARG A 57 -7.243 -6.586 7.222 1.00 0.00 C ATOM 792 NE ARG A 57 -8.643 -7.003 7.222 1.00 0.00 N ATOM 793 CZ ARG A 57 -9.032 -8.271 7.165 1.00 0.00 C ATOM 794 NH1 ARG A 57 -8.131 -9.242 7.105 1.00 0.00 N ATOM 795 NH2 ARG A 57 -10.324 -8.571 7.168 1.00 0.00 N ATOM 0 H ARG A 57 -6.479 -2.104 6.683 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.465 -3.456 9.103 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.845 -4.330 6.217 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.964 -5.285 7.393 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.089 -5.190 8.846 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.906 -4.555 7.431 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.848 -6.641 6.207 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.659 -7.277 7.829 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.361 -6.280 7.268 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.136 -9.015 7.103 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.432 -10.215 7.061 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.020 -7.827 7.214 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.621 -9.546 7.124 1.00 0.00 H new ATOM 809 N PHE A 58 -2.998 -3.647 8.278 1.00 0.00 N ATOM 810 CA PHE A 58 -1.580 -3.390 8.055 1.00 0.00 C ATOM 811 C PHE A 58 -0.882 -4.631 7.506 1.00 0.00 C ATOM 812 O PHE A 58 -1.054 -5.735 8.024 1.00 0.00 O ATOM 813 CB PHE A 58 -0.909 -2.949 9.357 1.00 0.00 C ATOM 814 CG PHE A 58 -1.041 -1.477 9.630 1.00 0.00 C ATOM 815 CD1 PHE A 58 -2.288 -0.902 9.813 1.00 0.00 C ATOM 816 CD2 PHE A 58 0.083 -0.670 9.705 1.00 0.00 C ATOM 817 CE1 PHE A 58 -2.412 0.451 10.064 1.00 0.00 C ATOM 818 CE2 PHE A 58 -0.035 0.684 9.956 1.00 0.00 C ATOM 819 CZ PHE A 58 -1.284 1.245 10.136 1.00 0.00 C ATOM 0 H PHE A 58 -3.192 -4.436 8.895 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.493 -2.590 7.320 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.344 -3.505 10.187 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.149 -3.210 9.318 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.173 -1.518 9.759 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.062 -1.104 9.566 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.390 0.887 10.204 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.849 1.303 10.011 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.379 2.303 10.333 1.00 0.00 H new ATOM 829 N LEU A 59 -0.094 -4.442 6.453 1.00 0.00 N ATOM 830 CA LEU A 59 0.630 -5.545 5.832 1.00 0.00 C ATOM 831 C LEU A 59 2.131 -5.273 5.821 1.00 0.00 C ATOM 832 O LEU A 59 2.610 -4.401 5.096 1.00 0.00 O ATOM 833 CB LEU A 59 0.131 -5.769 4.403 1.00 0.00 C ATOM 834 CG LEU A 59 1.006 -6.656 3.517 1.00 0.00 C ATOM 835 CD1 LEU A 59 0.589 -8.113 3.643 1.00 0.00 C ATOM 836 CD2 LEU A 59 0.931 -6.201 2.067 1.00 0.00 C ATOM 0 H LEU A 59 0.060 -3.535 6.012 1.00 0.00 H new ATOM 0 HA LEU A 59 0.446 -6.444 6.420 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.865 -6.209 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.027 -4.798 3.920 1.00 0.00 H new ATOM 0 HG LEU A 59 2.039 -6.565 3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.223 -8.729 3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.696 -8.434 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.451 -8.222 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.560 -6.844 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.100 -6.262 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.280 -5.171 1.990 1.00 0.00 H new ATOM 848 N LYS A 60 2.870 -6.028 6.628 1.00 0.00 N ATOM 849 CA LYS A 60 4.317 -5.872 6.710 1.00 0.00 C ATOM 850 C LYS A 60 5.018 -6.753 5.681 1.00 0.00 C ATOM 851 O LYS A 60 4.774 -7.958 5.610 1.00 0.00 O ATOM 852 CB LYS A 60 4.810 -6.221 8.116 1.00 0.00 C ATOM 853 CG LYS A 60 4.732 -5.060 9.093 1.00 0.00 C ATOM 854 CD LYS A 60 4.691 -5.545 10.532 1.00 0.00 C ATOM 855 CE LYS A 60 3.271 -5.869 10.972 1.00 0.00 C ATOM 856 NZ LYS A 60 3.249 -6.719 12.194 1.00 0.00 N ATOM 0 H LYS A 60 2.490 -6.754 7.235 1.00 0.00 H new ATOM 0 HA LYS A 60 4.558 -4.831 6.496 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.220 -7.051 8.503 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.842 -6.565 8.055 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.593 -4.407 8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.843 -4.465 8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.316 -6.432 10.636 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.110 -4.781 11.187 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.730 -4.942 11.164 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.748 -6.381 10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.264 -6.917 12.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.743 -7.614 12.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.725 -6.220 12.973 1.00 0.00 H new ATOM 870 N THR A 61 5.892 -6.145 4.885 1.00 0.00 N ATOM 871 CA THR A 61 6.629 -6.874 3.860 1.00 0.00 C ATOM 872 C THR A 61 8.051 -6.342 3.722 1.00 0.00 C ATOM 873 O THR A 61 8.296 -5.147 3.889 1.00 0.00 O ATOM 874 CB THR A 61 5.925 -6.787 2.493 1.00 0.00 C ATOM 875 OG1 THR A 61 6.738 -7.397 1.484 1.00 0.00 O ATOM 876 CG2 THR A 61 5.647 -5.338 2.119 1.00 0.00 C ATOM 0 H THR A 61 6.107 -5.149 4.931 1.00 0.00 H new ATOM 0 HA THR A 61 6.663 -7.916 4.177 1.00 0.00 H new ATOM 0 HB THR A 61 4.975 -7.317 2.564 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.283 -7.339 0.618 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.149 -5.301 1.150 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.005 -4.884 2.874 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.587 -4.789 2.065 1.00 0.00 H new ATOM 884 N SER A 62 8.985 -7.237 3.416 1.00 0.00 N ATOM 885 CA SER A 62 10.384 -6.857 3.259 1.00 0.00 C ATOM 886 C SER A 62 10.774 -6.819 1.784 1.00 0.00 C ATOM 887 O SER A 62 11.906 -7.140 1.422 1.00 0.00 O ATOM 888 CB SER A 62 11.288 -7.836 4.012 1.00 0.00 C ATOM 889 OG SER A 62 11.350 -9.086 3.348 1.00 0.00 O ATOM 0 H SER A 62 8.798 -8.229 3.272 1.00 0.00 H new ATOM 0 HA SER A 62 10.513 -5.859 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.290 -7.417 4.099 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.912 -7.977 5.025 1.00 0.00 H new ATOM 0 HG SER A 62 11.935 -9.693 3.848 1.00 0.00 H new ATOM 895 N GLU A 63 9.828 -6.424 0.938 1.00 0.00 N ATOM 896 CA GLU A 63 10.072 -6.345 -0.497 1.00 0.00 C ATOM 897 C GLU A 63 9.389 -5.120 -1.098 1.00 0.00 C ATOM 898 O GLU A 63 8.792 -4.316 -0.384 1.00 0.00 O ATOM 899 CB GLU A 63 9.573 -7.613 -1.193 1.00 0.00 C ATOM 900 CG GLU A 63 10.171 -8.891 -0.630 1.00 0.00 C ATOM 901 CD GLU A 63 11.672 -8.970 -0.830 1.00 0.00 C ATOM 902 OE1 GLU A 63 12.177 -8.347 -1.787 1.00 0.00 O ATOM 903 OE2 GLU A 63 12.342 -9.656 -0.029 1.00 0.00 O ATOM 0 H GLU A 63 8.886 -6.154 1.221 1.00 0.00 H new ATOM 0 HA GLU A 63 11.147 -6.254 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.487 -7.661 -1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.806 -7.550 -2.256 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.946 -8.955 0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.699 -9.750 -1.107 1.00 0.00 H new ATOM 910 N ASN A 64 9.482 -4.985 -2.417 1.00 0.00 N ATOM 911 CA ASN A 64 8.875 -3.858 -3.115 1.00 0.00 C ATOM 912 C ASN A 64 7.652 -4.305 -3.910 1.00 0.00 C ATOM 913 O ASN A 64 7.324 -3.723 -4.944 1.00 0.00 O ATOM 914 CB ASN A 64 9.893 -3.202 -4.050 1.00 0.00 C ATOM 915 CG ASN A 64 10.137 -4.018 -5.304 1.00 0.00 C ATOM 916 OD1 ASN A 64 9.725 -5.175 -5.395 1.00 0.00 O ATOM 917 ND2 ASN A 64 10.810 -3.419 -6.279 1.00 0.00 N ATOM 0 H ASN A 64 9.972 -5.642 -3.024 1.00 0.00 H new ATOM 0 HA ASN A 64 8.555 -3.131 -2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.539 -2.210 -4.329 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.835 -3.067 -3.519 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.004 -3.919 -7.146 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.133 -2.459 -6.161 1.00 0.00 H new ATOM 924 N ARG A 65 6.982 -5.343 -3.420 1.00 0.00 N ATOM 925 CA ARG A 65 5.796 -5.869 -4.085 1.00 0.00 C ATOM 926 C ARG A 65 4.919 -6.641 -3.103 1.00 0.00 C ATOM 927 O ARG A 65 5.393 -7.534 -2.402 1.00 0.00 O ATOM 928 CB ARG A 65 6.198 -6.778 -5.249 1.00 0.00 C ATOM 929 CG ARG A 65 7.190 -7.862 -4.860 1.00 0.00 C ATOM 930 CD ARG A 65 8.072 -8.256 -6.034 1.00 0.00 C ATOM 931 NE ARG A 65 7.379 -9.140 -6.967 1.00 0.00 N ATOM 932 CZ ARG A 65 7.014 -10.382 -6.670 1.00 0.00 C ATOM 933 NH1 ARG A 65 7.274 -10.884 -5.471 1.00 0.00 N ATOM 934 NH2 ARG A 65 6.386 -11.124 -7.573 1.00 0.00 N ATOM 0 H ARG A 65 7.240 -5.836 -2.565 1.00 0.00 H new ATOM 0 HA ARG A 65 5.224 -5.026 -4.472 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.303 -7.246 -5.659 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.631 -6.169 -6.042 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.813 -7.509 -4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.651 -8.738 -4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.398 -7.358 -6.559 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.969 -8.752 -5.663 1.00 0.00 H new ATOM 0 HE ARG A 65 7.163 -8.784 -7.898 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.755 -10.316 -4.774 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.993 -11.838 -5.246 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.183 -10.741 -8.496 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.106 -12.078 -7.344 1.00 0.00 H new ATOM 948 N ALA A 66 3.639 -6.289 -3.058 1.00 0.00 N ATOM 949 CA ALA A 66 2.696 -6.948 -2.163 1.00 0.00 C ATOM 950 C ALA A 66 1.410 -7.318 -2.896 1.00 0.00 C ATOM 951 O ALA A 66 1.130 -6.799 -3.976 1.00 0.00 O ATOM 952 CB ALA A 66 2.388 -6.056 -0.970 1.00 0.00 C ATOM 0 H ALA A 66 3.231 -5.551 -3.631 1.00 0.00 H new ATOM 0 HA ALA A 66 3.157 -7.868 -1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.682 -6.561 -0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.308 -5.847 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.952 -5.120 -1.319 1.00 0.00 H new ATOM 958 N GLU A 67 0.633 -8.218 -2.301 1.00 0.00 N ATOM 959 CA GLU A 67 -0.622 -8.657 -2.899 1.00 0.00 C ATOM 960 C GLU A 67 -1.755 -8.615 -1.878 1.00 0.00 C ATOM 961 O GLU A 67 -1.896 -9.518 -1.052 1.00 0.00 O ATOM 962 CB GLU A 67 -0.478 -10.073 -3.460 1.00 0.00 C ATOM 963 CG GLU A 67 -1.763 -10.628 -4.050 1.00 0.00 C ATOM 964 CD GLU A 67 -1.542 -11.914 -4.823 1.00 0.00 C ATOM 965 OE1 GLU A 67 -1.072 -11.839 -5.977 1.00 0.00 O ATOM 966 OE2 GLU A 67 -1.841 -12.995 -4.274 1.00 0.00 O ATOM 0 H GLU A 67 0.851 -8.657 -1.406 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.865 -7.975 -3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.295 -10.073 -4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.137 -10.737 -2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.478 -10.809 -3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.207 -9.883 -4.711 1.00 0.00 H new ATOM 973 N LEU A 68 -2.561 -7.560 -1.941 1.00 0.00 N ATOM 974 CA LEU A 68 -3.683 -7.399 -1.022 1.00 0.00 C ATOM 975 C LEU A 68 -4.859 -8.275 -1.439 1.00 0.00 C ATOM 976 O LEU A 68 -5.384 -8.142 -2.545 1.00 0.00 O ATOM 977 CB LEU A 68 -4.117 -5.933 -0.969 1.00 0.00 C ATOM 978 CG LEU A 68 -3.004 -4.911 -0.734 1.00 0.00 C ATOM 979 CD1 LEU A 68 -3.488 -3.509 -1.069 1.00 0.00 C ATOM 980 CD2 LEU A 68 -2.514 -4.978 0.705 1.00 0.00 C ATOM 0 H LEU A 68 -2.459 -6.804 -2.618 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.356 -7.711 -0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.615 -5.688 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.857 -5.823 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.170 -5.153 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.683 -2.795 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.790 -3.469 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.339 -3.257 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.722 -4.244 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.341 -4.762 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.127 -5.976 0.912 1.00 0.00 H new ATOM 992 N ARG A 69 -5.270 -9.170 -0.547 1.00 0.00 N ATOM 993 CA ARG A 69 -6.385 -10.068 -0.822 1.00 0.00 C ATOM 994 C ARG A 69 -7.598 -9.706 0.030 1.00 0.00 C ATOM 995 O ARG A 69 -7.462 -9.326 1.192 1.00 0.00 O ATOM 996 CB ARG A 69 -5.978 -11.518 -0.558 1.00 0.00 C ATOM 997 CG ARG A 69 -4.910 -12.034 -1.509 1.00 0.00 C ATOM 998 CD ARG A 69 -4.297 -13.332 -1.008 1.00 0.00 C ATOM 999 NE ARG A 69 -3.388 -13.111 0.113 1.00 0.00 N ATOM 1000 CZ ARG A 69 -2.875 -14.092 0.847 1.00 0.00 C ATOM 1001 NH1 ARG A 69 -3.181 -15.354 0.581 1.00 0.00 N ATOM 1002 NH2 ARG A 69 -2.054 -13.811 1.851 1.00 0.00 N ATOM 0 H ARG A 69 -4.847 -9.293 0.373 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.655 -9.959 -1.873 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.613 -11.603 0.466 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.860 -12.154 -0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.346 -12.193 -2.495 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.129 -11.282 -1.623 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.091 -14.013 -0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.758 -13.816 -1.822 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.133 -12.151 0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.812 -15.574 -0.189 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.785 -16.105 1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.817 -12.841 2.059 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.660 -14.565 2.414 1.00 0.00 H new ATOM 1016 N GLY A 70 -8.785 -9.825 -0.557 1.00 0.00 N ATOM 1017 CA GLY A 70 -10.004 -9.506 0.163 1.00 0.00 C ATOM 1018 C GLY A 70 -10.382 -8.043 0.044 1.00 0.00 C ATOM 1019 O GLY A 70 -10.252 -7.280 1.002 1.00 0.00 O ATOM 0 H GLY A 70 -8.924 -10.137 -1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.819 -10.121 -0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.878 -9.761 1.215 1.00 0.00 H new ATOM 1023 N LEU A 71 -10.848 -7.648 -1.136 1.00 0.00 N ATOM 1024 CA LEU A 71 -11.244 -6.265 -1.378 1.00 0.00 C ATOM 1025 C LEU A 71 -12.411 -6.197 -2.359 1.00 0.00 C ATOM 1026 O LEU A 71 -12.873 -7.220 -2.863 1.00 0.00 O ATOM 1027 CB LEU A 71 -10.061 -5.462 -1.919 1.00 0.00 C ATOM 1028 CG LEU A 71 -8.730 -5.653 -1.190 1.00 0.00 C ATOM 1029 CD1 LEU A 71 -7.564 -5.420 -2.137 1.00 0.00 C ATOM 1030 CD2 LEU A 71 -8.641 -4.720 0.009 1.00 0.00 C ATOM 0 H LEU A 71 -10.961 -8.266 -1.940 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.564 -5.833 -0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.919 -5.724 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.321 -4.404 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.679 -6.681 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.626 -5.560 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.619 -6.129 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.610 -4.403 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.688 -4.869 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.715 -3.686 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.457 -4.936 0.699 1.00 0.00 H new ATOM 1042 N LYS A 72 -12.882 -4.983 -2.626 1.00 0.00 N ATOM 1043 CA LYS A 72 -13.992 -4.779 -3.549 1.00 0.00 C ATOM 1044 C LYS A 72 -13.530 -4.041 -4.801 1.00 0.00 C ATOM 1045 O LYS A 72 -12.620 -3.212 -4.745 1.00 0.00 O ATOM 1046 CB LYS A 72 -15.113 -3.993 -2.865 1.00 0.00 C ATOM 1047 CG LYS A 72 -15.982 -4.842 -1.954 1.00 0.00 C ATOM 1048 CD LYS A 72 -16.871 -3.982 -1.071 1.00 0.00 C ATOM 1049 CE LYS A 72 -18.162 -3.603 -1.780 1.00 0.00 C ATOM 1050 NZ LYS A 72 -19.021 -4.792 -2.041 1.00 0.00 N ATOM 0 H LYS A 72 -12.512 -4.126 -2.216 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.371 -5.757 -3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.674 -3.182 -2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.741 -3.534 -3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.600 -5.508 -2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.349 -5.473 -1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.104 -4.521 -0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.334 -3.078 -0.783 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.712 -2.884 -1.173 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.927 -3.110 -2.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.009 -4.488 -2.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.704 -5.265 -2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.950 -5.453 -1.242 1.00 0.00 H new ATOM 1064 N ARG A 73 -14.162 -4.345 -5.930 1.00 0.00 N ATOM 1065 CA ARG A 73 -13.816 -3.709 -7.195 1.00 0.00 C ATOM 1066 C ARG A 73 -14.857 -2.663 -7.581 1.00 0.00 C ATOM 1067 O ARG A 73 -15.931 -2.997 -8.081 1.00 0.00 O ATOM 1068 CB ARG A 73 -13.697 -4.759 -8.302 1.00 0.00 C ATOM 1069 CG ARG A 73 -14.814 -5.789 -8.287 1.00 0.00 C ATOM 1070 CD ARG A 73 -15.102 -6.319 -9.683 1.00 0.00 C ATOM 1071 NE ARG A 73 -15.501 -5.256 -10.600 1.00 0.00 N ATOM 1072 CZ ARG A 73 -16.673 -4.634 -10.539 1.00 0.00 C ATOM 1073 NH1 ARG A 73 -17.557 -4.967 -9.608 1.00 0.00 N ATOM 1074 NH2 ARG A 73 -16.964 -3.676 -11.410 1.00 0.00 N ATOM 0 H ARG A 73 -14.917 -5.028 -5.994 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.855 -3.210 -7.071 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.691 -4.256 -9.269 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.740 -5.272 -8.203 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.539 -6.616 -7.632 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.718 -5.341 -7.873 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.214 -6.819 -10.071 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.892 -7.068 -9.631 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.844 -4.975 -11.328 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.338 -5.703 -8.936 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.456 -4.487 -9.564 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.287 -3.416 -12.128 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.864 -3.199 -11.362 1.00 0.00 H new ATOM 1088 N GLY A 74 -14.532 -1.396 -7.345 1.00 0.00 N ATOM 1089 CA GLY A 74 -15.450 -0.321 -7.674 1.00 0.00 C ATOM 1090 C GLY A 74 -15.785 0.543 -6.474 1.00 0.00 C ATOM 1091 O GLY A 74 -16.793 1.248 -6.471 1.00 0.00 O ATOM 0 H GLY A 74 -13.649 -1.095 -6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.012 0.301 -8.455 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -16.368 -0.744 -8.081 1.00 0.00 H new ATOM 1095 N ALA A 75 -14.938 0.485 -5.451 1.00 0.00 N ATOM 1096 CA ALA A 75 -15.150 1.268 -4.240 1.00 0.00 C ATOM 1097 C ALA A 75 -13.994 2.234 -4.001 1.00 0.00 C ATOM 1098 O ALA A 75 -12.992 2.206 -4.716 1.00 0.00 O ATOM 1099 CB ALA A 75 -15.328 0.348 -3.041 1.00 0.00 C ATOM 0 H ALA A 75 -14.099 -0.096 -5.437 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.059 1.856 -4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.485 0.946 -2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.191 -0.298 -3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.435 -0.265 -2.917 1.00 0.00 H new ATOM 1105 N SER A 76 -14.140 3.087 -2.993 1.00 0.00 N ATOM 1106 CA SER A 76 -13.110 4.065 -2.663 1.00 0.00 C ATOM 1107 C SER A 76 -12.019 3.435 -1.802 1.00 0.00 C ATOM 1108 O SER A 76 -12.157 3.333 -0.583 1.00 0.00 O ATOM 1109 CB SER A 76 -13.726 5.260 -1.933 1.00 0.00 C ATOM 1110 OG SER A 76 -14.603 5.980 -2.782 1.00 0.00 O ATOM 0 H SER A 76 -14.962 3.121 -2.390 1.00 0.00 H new ATOM 0 HA SER A 76 -12.660 4.410 -3.594 1.00 0.00 H new ATOM 0 HB2 SER A 76 -14.269 4.913 -1.054 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.935 5.920 -1.578 1.00 0.00 H new ATOM 0 HG SER A 76 -14.985 6.738 -2.291 1.00 0.00 H new ATOM 1116 N TYR A 77 -10.936 3.015 -2.445 1.00 0.00 N ATOM 1117 CA TYR A 77 -9.822 2.392 -1.740 1.00 0.00 C ATOM 1118 C TYR A 77 -8.545 3.209 -1.910 1.00 0.00 C ATOM 1119 O TYR A 77 -8.031 3.357 -3.020 1.00 0.00 O ATOM 1120 CB TYR A 77 -9.600 0.967 -2.250 1.00 0.00 C ATOM 1121 CG TYR A 77 -10.449 -0.067 -1.545 1.00 0.00 C ATOM 1122 CD1 TYR A 77 -11.772 -0.277 -1.913 1.00 0.00 C ATOM 1123 CD2 TYR A 77 -9.928 -0.834 -0.510 1.00 0.00 C ATOM 1124 CE1 TYR A 77 -12.552 -1.219 -1.271 1.00 0.00 C ATOM 1125 CE2 TYR A 77 -10.699 -1.780 0.136 1.00 0.00 C ATOM 1126 CZ TYR A 77 -12.011 -1.969 -0.247 1.00 0.00 C ATOM 1127 OH TYR A 77 -12.783 -2.910 0.394 1.00 0.00 O ATOM 0 H TYR A 77 -10.805 3.094 -3.453 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.071 2.356 -0.679 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.815 0.935 -3.318 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.549 0.706 -2.128 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -12.198 0.307 -2.715 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.902 -0.688 -0.206 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -13.579 -1.368 -1.569 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.277 -2.369 0.937 1.00 0.00 H new ATOM 0 HH TYR A 77 -13.487 -2.461 0.907 1.00 0.00 H new ATOM 1137 N LEU A 78 -8.036 3.738 -0.803 1.00 0.00 N ATOM 1138 CA LEU A 78 -6.818 4.540 -0.827 1.00 0.00 C ATOM 1139 C LEU A 78 -5.659 3.789 -0.179 1.00 0.00 C ATOM 1140 O LEU A 78 -5.586 3.675 1.044 1.00 0.00 O ATOM 1141 CB LEU A 78 -7.045 5.870 -0.106 1.00 0.00 C ATOM 1142 CG LEU A 78 -7.892 6.902 -0.852 1.00 0.00 C ATOM 1143 CD1 LEU A 78 -9.369 6.555 -0.749 1.00 0.00 C ATOM 1144 CD2 LEU A 78 -7.631 8.299 -0.309 1.00 0.00 C ATOM 0 H LEU A 78 -8.448 3.626 0.123 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.563 4.737 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.521 5.664 0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.073 6.314 0.109 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.608 6.884 -1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.956 7.300 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.543 5.572 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.668 6.544 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.242 9.020 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.886 8.331 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.577 8.548 -0.436 1.00 0.00 H new ATOM 1156 N VAL A 79 -4.753 3.281 -1.009 1.00 0.00 N ATOM 1157 CA VAL A 79 -3.594 2.544 -0.517 1.00 0.00 C ATOM 1158 C VAL A 79 -2.410 3.476 -0.282 1.00 0.00 C ATOM 1159 O VAL A 79 -2.085 4.308 -1.128 1.00 0.00 O ATOM 1160 CB VAL A 79 -3.175 1.437 -1.502 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -1.950 0.698 -0.984 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -4.327 0.473 -1.741 1.00 0.00 C ATOM 0 H VAL A 79 -4.799 3.366 -2.024 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.886 2.087 0.429 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.915 1.900 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.668 -0.081 -1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.124 1.400 -0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.179 0.245 -0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.013 -0.303 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.619 0.014 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.175 1.016 -2.159 1.00 0.00 H new ATOM 1172 N GLN A 80 -1.769 3.328 0.873 1.00 0.00 N ATOM 1173 CA GLN A 80 -0.621 4.157 1.220 1.00 0.00 C ATOM 1174 C GLN A 80 0.593 3.294 1.550 1.00 0.00 C ATOM 1175 O GLN A 80 0.557 2.481 2.474 1.00 0.00 O ATOM 1176 CB GLN A 80 -0.957 5.061 2.407 1.00 0.00 C ATOM 1177 CG GLN A 80 -1.869 6.222 2.048 1.00 0.00 C ATOM 1178 CD GLN A 80 -2.485 6.880 3.268 1.00 0.00 C ATOM 1179 OE1 GLN A 80 -1.995 7.901 3.750 1.00 0.00 O ATOM 1180 NE2 GLN A 80 -3.565 6.296 3.773 1.00 0.00 N ATOM 0 H GLN A 80 -2.025 2.642 1.584 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.379 4.778 0.357 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.432 4.464 3.185 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.031 5.454 2.828 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.302 6.965 1.487 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -2.663 5.866 1.392 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.937 5.450 3.341 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.023 6.693 4.593 1.00 0.00 H new ATOM 1189 N VAL A 81 1.667 3.476 0.788 1.00 0.00 N ATOM 1190 CA VAL A 81 2.893 2.715 1.000 1.00 0.00 C ATOM 1191 C VAL A 81 3.982 3.587 1.613 1.00 0.00 C ATOM 1192 O VAL A 81 4.119 4.761 1.269 1.00 0.00 O ATOM 1193 CB VAL A 81 3.414 2.112 -0.318 1.00 0.00 C ATOM 1194 CG1 VAL A 81 4.692 1.323 -0.076 1.00 0.00 C ATOM 1195 CG2 VAL A 81 2.350 1.235 -0.960 1.00 0.00 C ATOM 0 H VAL A 81 1.713 4.144 0.018 1.00 0.00 H new ATOM 0 HA VAL A 81 2.649 1.907 1.689 1.00 0.00 H new ATOM 0 HB VAL A 81 3.643 2.927 -1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.045 0.904 -1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.455 1.983 0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.493 0.515 0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.735 0.817 -1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.087 0.425 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.464 1.834 -1.171 1.00 0.00 H new ATOM 1205 N ARG A 82 4.756 3.005 2.523 1.00 0.00 N ATOM 1206 CA ARG A 82 5.834 3.730 3.185 1.00 0.00 C ATOM 1207 C ARG A 82 7.127 2.920 3.164 1.00 0.00 C ATOM 1208 O ARG A 82 7.143 1.768 2.730 1.00 0.00 O ATOM 1209 CB ARG A 82 5.448 4.055 4.629 1.00 0.00 C ATOM 1210 CG ARG A 82 5.460 2.845 5.550 1.00 0.00 C ATOM 1211 CD ARG A 82 5.487 3.259 7.013 1.00 0.00 C ATOM 1212 NE ARG A 82 4.143 3.429 7.558 1.00 0.00 N ATOM 1213 CZ ARG A 82 3.891 3.602 8.851 1.00 0.00 C ATOM 1214 NH1 ARG A 82 4.886 3.627 9.726 1.00 0.00 N ATOM 1215 NH2 ARG A 82 2.641 3.750 9.270 1.00 0.00 N ATOM 0 H ARG A 82 4.657 2.034 2.819 1.00 0.00 H new ATOM 0 HA ARG A 82 5.999 4.660 2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.135 4.805 5.020 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.452 4.499 4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.578 2.233 5.360 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.330 2.227 5.329 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.021 2.506 7.593 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.041 4.192 7.116 1.00 0.00 H new ATOM 0 HE ARG A 82 3.355 3.414 6.911 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.848 3.513 9.407 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.690 3.760 10.718 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.873 3.731 8.599 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.448 3.883 10.263 1.00 0.00 H new ATOM 1229 N ALA A 83 8.210 3.530 3.634 1.00 0.00 N ATOM 1230 CA ALA A 83 9.507 2.866 3.670 1.00 0.00 C ATOM 1231 C ALA A 83 10.104 2.902 5.073 1.00 0.00 C ATOM 1232 O ALA A 83 9.885 3.851 5.826 1.00 0.00 O ATOM 1233 CB ALA A 83 10.458 3.511 2.673 1.00 0.00 C ATOM 0 H ALA A 83 8.215 4.484 3.995 1.00 0.00 H new ATOM 0 HA ALA A 83 9.361 1.822 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.423 3.005 2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.043 3.427 1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.590 4.563 2.925 1.00 0.00 H new ATOM 1239 N ARG A 84 10.857 1.863 5.418 1.00 0.00 N ATOM 1240 CA ARG A 84 11.483 1.776 6.731 1.00 0.00 C ATOM 1241 C ARG A 84 12.972 1.466 6.604 1.00 0.00 C ATOM 1242 O ARG A 84 13.367 0.562 5.867 1.00 0.00 O ATOM 1243 CB ARG A 84 10.798 0.701 7.577 1.00 0.00 C ATOM 1244 CG ARG A 84 11.269 0.669 9.021 1.00 0.00 C ATOM 1245 CD ARG A 84 11.063 -0.702 9.645 1.00 0.00 C ATOM 1246 NE ARG A 84 11.406 -0.716 11.064 1.00 0.00 N ATOM 1247 CZ ARG A 84 11.564 -1.829 11.772 1.00 0.00 C ATOM 1248 NH1 ARG A 84 11.411 -3.012 11.195 1.00 0.00 N ATOM 1249 NH2 ARG A 84 11.876 -1.759 13.060 1.00 0.00 N ATOM 0 H ARG A 84 11.048 1.070 4.806 1.00 0.00 H new ATOM 0 HA ARG A 84 11.371 2.742 7.223 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.721 0.868 7.559 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.977 -0.274 7.124 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.325 0.935 9.066 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.726 1.418 9.598 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.023 -1.004 9.521 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.673 -1.435 9.118 1.00 0.00 H new ATOM 0 HE ARG A 84 11.531 0.178 11.538 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.171 -3.069 10.205 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.533 -3.865 11.741 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.995 -0.850 13.507 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.997 -2.614 13.603 1.00 0.00 H new ATOM 1263 N SER A 85 13.792 2.221 7.327 1.00 0.00 N ATOM 1264 CA SER A 85 15.238 2.030 7.292 1.00 0.00 C ATOM 1265 C SER A 85 15.808 1.939 8.704 1.00 0.00 C ATOM 1266 O SER A 85 15.108 2.191 9.685 1.00 0.00 O ATOM 1267 CB SER A 85 15.907 3.177 6.533 1.00 0.00 C ATOM 1268 OG SER A 85 16.147 4.282 7.386 1.00 0.00 O ATOM 0 H SER A 85 13.480 2.971 7.944 1.00 0.00 H new ATOM 0 HA SER A 85 15.443 1.093 6.775 1.00 0.00 H new ATOM 0 HB2 SER A 85 16.848 2.833 6.105 1.00 0.00 H new ATOM 0 HB3 SER A 85 15.273 3.486 5.702 1.00 0.00 H new ATOM 0 HG SER A 85 16.427 5.054 6.851 1.00 0.00 H new ATOM 1274 N GLU A 86 17.084 1.577 8.798 1.00 0.00 N ATOM 1275 CA GLU A 86 17.748 1.451 10.090 1.00 0.00 C ATOM 1276 C GLU A 86 17.388 2.620 11.003 1.00 0.00 C ATOM 1277 O GLU A 86 17.073 2.430 12.177 1.00 0.00 O ATOM 1278 CB GLU A 86 19.265 1.385 9.904 1.00 0.00 C ATOM 1279 CG GLU A 86 19.754 0.054 9.357 1.00 0.00 C ATOM 1280 CD GLU A 86 21.253 -0.121 9.502 1.00 0.00 C ATOM 1281 OE1 GLU A 86 21.968 0.901 9.557 1.00 0.00 O ATOM 1282 OE2 GLU A 86 21.711 -1.281 9.560 1.00 0.00 O ATOM 0 H GLU A 86 17.678 1.366 7.996 1.00 0.00 H new ATOM 0 HA GLU A 86 17.405 0.528 10.557 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.575 2.182 9.228 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.749 1.574 10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.245 -0.757 9.877 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.483 -0.023 8.304 1.00 0.00 H new ATOM 1289 N ALA A 87 17.437 3.829 10.454 1.00 0.00 N ATOM 1290 CA ALA A 87 17.114 5.028 11.217 1.00 0.00 C ATOM 1291 C ALA A 87 15.741 4.911 11.870 1.00 0.00 C ATOM 1292 O ALA A 87 15.622 4.913 13.094 1.00 0.00 O ATOM 1293 CB ALA A 87 17.172 6.256 10.321 1.00 0.00 C ATOM 0 H ALA A 87 17.697 4.004 9.483 1.00 0.00 H new ATOM 0 HA ALA A 87 17.855 5.135 12.009 1.00 0.00 H new ATOM 0 HB1 ALA A 87 16.929 7.144 10.904 1.00 0.00 H new ATOM 0 HB2 ALA A 87 18.175 6.357 9.907 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.454 6.148 9.508 1.00 0.00 H new ATOM 1299 N GLY A 88 14.705 4.810 11.043 1.00 0.00 N ATOM 1300 CA GLY A 88 13.353 4.694 11.558 1.00 0.00 C ATOM 1301 C GLY A 88 12.312 4.673 10.456 1.00 0.00 C ATOM 1302 O GLY A 88 12.641 4.473 9.286 1.00 0.00 O ATOM 0 H GLY A 88 14.778 4.806 10.026 1.00 0.00 H new ATOM 0 HA2 GLY A 88 13.270 3.782 12.149 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.150 5.529 12.229 1.00 0.00 H new ATOM 1306 N TYR A 89 11.054 4.877 10.829 1.00 0.00 N ATOM 1307 CA TYR A 89 9.961 4.876 9.864 1.00 0.00 C ATOM 1308 C TYR A 89 9.862 6.221 9.151 1.00 0.00 C ATOM 1309 O TYR A 89 10.099 7.271 9.747 1.00 0.00 O ATOM 1310 CB TYR A 89 8.637 4.558 10.561 1.00 0.00 C ATOM 1311 CG TYR A 89 8.317 3.081 10.607 1.00 0.00 C ATOM 1312 CD1 TYR A 89 7.811 2.424 9.492 1.00 0.00 C ATOM 1313 CD2 TYR A 89 8.520 2.342 11.766 1.00 0.00 C ATOM 1314 CE1 TYR A 89 7.516 1.076 9.530 1.00 0.00 C ATOM 1315 CE2 TYR A 89 8.229 0.992 11.813 1.00 0.00 C ATOM 1316 CZ TYR A 89 7.727 0.364 10.693 1.00 0.00 C ATOM 1317 OH TYR A 89 7.436 -0.981 10.734 1.00 0.00 O ATOM 0 H TYR A 89 10.766 5.045 11.793 1.00 0.00 H new ATOM 0 HA TYR A 89 10.168 4.105 9.121 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.670 4.946 11.579 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.830 5.080 10.046 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.646 2.978 8.580 1.00 0.00 H new ATOM 0 HD2 TYR A 89 8.912 2.831 12.645 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.122 0.581 8.654 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.394 0.432 12.722 1.00 0.00 H new ATOM 0 HH TYR A 89 7.643 -1.333 11.625 1.00 0.00 H new ATOM 1327 N GLY A 90 9.510 6.180 7.869 1.00 0.00 N ATOM 1328 CA GLY A 90 9.386 7.401 7.095 1.00 0.00 C ATOM 1329 C GLY A 90 7.941 7.782 6.842 1.00 0.00 C ATOM 1330 O GLY A 90 7.024 6.981 7.026 1.00 0.00 O ATOM 0 H GLY A 90 9.309 5.323 7.353 1.00 0.00 H new ATOM 0 HA2 GLY A 90 9.886 8.214 7.622 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.898 7.276 6.141 1.00 0.00 H new ATOM 1334 N PRO A 91 7.721 9.033 6.411 1.00 0.00 N ATOM 1335 CA PRO A 91 6.379 9.548 6.124 1.00 0.00 C ATOM 1336 C PRO A 91 5.766 8.908 4.883 1.00 0.00 C ATOM 1337 O PRO A 91 6.480 8.428 4.003 1.00 0.00 O ATOM 1338 CB PRO A 91 6.614 11.043 5.895 1.00 0.00 C ATOM 1339 CG PRO A 91 8.033 11.140 5.451 1.00 0.00 C ATOM 1340 CD PRO A 91 8.767 10.042 6.170 1.00 0.00 C ATOM 0 HA PRO A 91 5.678 9.332 6.930 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.935 11.439 5.140 1.00 0.00 H new ATOM 0 HB3 PRO A 91 6.445 11.615 6.808 1.00 0.00 H new ATOM 0 HG2 PRO A 91 8.113 11.021 4.371 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.453 12.116 5.696 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.581 9.641 5.566 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.206 10.396 7.103 1.00 0.00 H new ATOM 1348 N PHE A 92 4.438 8.906 4.819 1.00 0.00 N ATOM 1349 CA PHE A 92 3.729 8.324 3.685 1.00 0.00 C ATOM 1350 C PHE A 92 3.845 9.219 2.454 1.00 0.00 C ATOM 1351 O PHE A 92 3.668 10.433 2.537 1.00 0.00 O ATOM 1352 CB PHE A 92 2.255 8.108 4.035 1.00 0.00 C ATOM 1353 CG PHE A 92 2.000 6.839 4.798 1.00 0.00 C ATOM 1354 CD1 PHE A 92 2.175 5.605 4.193 1.00 0.00 C ATOM 1355 CD2 PHE A 92 1.586 6.882 6.119 1.00 0.00 C ATOM 1356 CE1 PHE A 92 1.941 4.436 4.893 1.00 0.00 C ATOM 1357 CE2 PHE A 92 1.351 5.716 6.823 1.00 0.00 C ATOM 1358 CZ PHE A 92 1.528 4.492 6.209 1.00 0.00 C ATOM 0 H PHE A 92 3.832 9.300 5.538 1.00 0.00 H new ATOM 0 HA PHE A 92 4.186 7.361 3.457 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.902 8.954 4.624 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.670 8.094 3.116 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.498 5.556 3.164 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.445 7.837 6.604 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.081 3.480 4.411 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.029 5.762 7.853 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.344 3.580 6.757 1.00 0.00 H new ATOM 1368 N GLY A 93 4.145 8.608 1.312 1.00 0.00 N ATOM 1369 CA GLY A 93 4.281 9.363 0.080 1.00 0.00 C ATOM 1370 C GLY A 93 2.944 9.653 -0.572 1.00 0.00 C ATOM 1371 O GLY A 93 1.893 9.336 -0.015 1.00 0.00 O ATOM 0 H GLY A 93 4.296 7.604 1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.792 10.303 0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.908 8.807 -0.616 1.00 0.00 H new ATOM 1375 N GLN A 94 2.983 10.259 -1.755 1.00 0.00 N ATOM 1376 CA GLN A 94 1.765 10.594 -2.482 1.00 0.00 C ATOM 1377 C GLN A 94 0.749 9.460 -2.394 1.00 0.00 C ATOM 1378 O GLN A 94 1.033 8.329 -2.787 1.00 0.00 O ATOM 1379 CB GLN A 94 2.086 10.895 -3.947 1.00 0.00 C ATOM 1380 CG GLN A 94 0.862 11.242 -4.779 1.00 0.00 C ATOM 1381 CD GLN A 94 1.187 11.419 -6.249 1.00 0.00 C ATOM 1382 OE1 GLN A 94 1.664 10.493 -6.907 1.00 0.00 O ATOM 1383 NE2 GLN A 94 0.930 12.611 -6.774 1.00 0.00 N ATOM 0 H GLN A 94 3.845 10.528 -2.230 1.00 0.00 H new ATOM 0 HA GLN A 94 1.331 11.482 -2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.793 11.723 -3.993 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.581 10.029 -4.387 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.117 10.455 -4.668 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.416 12.160 -4.396 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.535 13.350 -6.192 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.128 12.788 -7.759 1.00 0.00 H new ATOM 1392 N GLU A 95 -0.435 9.771 -1.875 1.00 0.00 N ATOM 1393 CA GLU A 95 -1.492 8.776 -1.734 1.00 0.00 C ATOM 1394 C GLU A 95 -1.959 8.283 -3.101 1.00 0.00 C ATOM 1395 O GLU A 95 -1.979 9.038 -4.073 1.00 0.00 O ATOM 1396 CB GLU A 95 -2.674 9.361 -0.959 1.00 0.00 C ATOM 1397 CG GLU A 95 -2.305 9.861 0.427 1.00 0.00 C ATOM 1398 CD GLU A 95 -1.592 11.200 0.394 1.00 0.00 C ATOM 1399 OE1 GLU A 95 -2.072 12.110 -0.313 1.00 0.00 O ATOM 1400 OE2 GLU A 95 -0.555 11.336 1.076 1.00 0.00 O ATOM 0 H GLU A 95 -0.686 10.703 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.088 7.929 -1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.101 10.184 -1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.450 8.601 -0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.209 9.950 1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.666 9.126 0.916 1.00 0.00 H new ATOM 1407 N HIS A 96 -2.335 7.009 -3.167 1.00 0.00 N ATOM 1408 CA HIS A 96 -2.802 6.414 -4.414 1.00 0.00 C ATOM 1409 C HIS A 96 -4.179 5.783 -4.231 1.00 0.00 C ATOM 1410 O HIS A 96 -4.458 5.161 -3.205 1.00 0.00 O ATOM 1411 CB HIS A 96 -1.808 5.362 -4.906 1.00 0.00 C ATOM 1412 CG HIS A 96 -1.921 5.069 -6.370 1.00 0.00 C ATOM 1413 ND1 HIS A 96 -1.441 5.916 -7.347 1.00 0.00 N ATOM 1414 CD2 HIS A 96 -2.463 4.014 -7.023 1.00 0.00 C ATOM 1415 CE1 HIS A 96 -1.685 5.396 -8.536 1.00 0.00 C ATOM 1416 NE2 HIS A 96 -2.304 4.241 -8.367 1.00 0.00 N ATOM 0 H HIS A 96 -2.325 6.370 -2.372 1.00 0.00 H new ATOM 0 HA HIS A 96 -2.879 7.206 -5.159 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.795 5.702 -4.689 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.962 4.439 -4.346 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.933 3.154 -6.570 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.423 5.839 -9.485 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -2.613 3.619 -9.114 1.00 0.00 H new ATOM 1425 N HIS A 97 -5.038 5.947 -5.233 1.00 0.00 N ATOM 1426 CA HIS A 97 -6.386 5.393 -5.182 1.00 0.00 C ATOM 1427 C HIS A 97 -6.536 4.236 -6.166 1.00 0.00 C ATOM 1428 O HIS A 97 -6.653 4.446 -7.373 1.00 0.00 O ATOM 1429 CB HIS A 97 -7.418 6.478 -5.493 1.00 0.00 C ATOM 1430 CG HIS A 97 -7.378 7.633 -4.540 1.00 0.00 C ATOM 1431 ND1 HIS A 97 -8.492 8.378 -4.214 1.00 0.00 N ATOM 1432 CD2 HIS A 97 -6.351 8.169 -3.841 1.00 0.00 C ATOM 1433 CE1 HIS A 97 -8.150 9.323 -3.356 1.00 0.00 C ATOM 1434 NE2 HIS A 97 -6.856 9.218 -3.113 1.00 0.00 N ATOM 0 H HIS A 97 -4.824 6.459 -6.089 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.559 5.015 -4.174 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.252 6.847 -6.505 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.414 6.036 -5.474 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.324 7.834 -3.853 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -8.816 10.057 -2.926 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -6.319 9.818 -2.487 1.00 0.00 H new ATOM 1443 N SER A 98 -6.529 3.015 -5.640 1.00 0.00 N ATOM 1444 CA SER A 98 -6.659 1.825 -6.472 1.00 0.00 C ATOM 1445 C SER A 98 -7.717 2.029 -7.552 1.00 0.00 C ATOM 1446 O SER A 98 -8.874 2.324 -7.254 1.00 0.00 O ATOM 1447 CB SER A 98 -7.020 0.612 -5.612 1.00 0.00 C ATOM 1448 OG SER A 98 -8.307 0.759 -5.039 1.00 0.00 O ATOM 0 H SER A 98 -6.435 2.824 -4.642 1.00 0.00 H new ATOM 0 HA SER A 98 -5.700 1.645 -6.957 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.991 -0.291 -6.221 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.279 0.488 -4.822 1.00 0.00 H new ATOM 0 HG SER A 98 -8.817 1.424 -5.547 1.00 0.00 H new ATOM 1454 N GLN A 99 -7.310 1.871 -8.808 1.00 0.00 N ATOM 1455 CA GLN A 99 -8.223 2.039 -9.933 1.00 0.00 C ATOM 1456 C GLN A 99 -9.413 1.093 -9.814 1.00 0.00 C ATOM 1457 O GLN A 99 -10.553 1.475 -10.079 1.00 0.00 O ATOM 1458 CB GLN A 99 -7.489 1.793 -11.252 1.00 0.00 C ATOM 1459 CG GLN A 99 -6.844 0.420 -11.343 1.00 0.00 C ATOM 1460 CD GLN A 99 -6.153 0.186 -12.672 1.00 0.00 C ATOM 1461 OE1 GLN A 99 -4.930 0.059 -12.735 1.00 0.00 O ATOM 1462 NE2 GLN A 99 -6.935 0.127 -13.744 1.00 0.00 N ATOM 0 H GLN A 99 -6.355 1.627 -9.072 1.00 0.00 H new ATOM 0 HA GLN A 99 -8.595 3.063 -9.918 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.192 1.910 -12.077 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -6.720 2.555 -11.378 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -6.119 0.309 -10.537 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -7.606 -0.345 -11.194 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -7.944 0.238 -13.646 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.526 -0.029 -14.665 1.00 0.00 H new ATOM 1471 N THR A 100 -9.141 -0.146 -9.414 1.00 0.00 N ATOM 1472 CA THR A 100 -10.188 -1.147 -9.262 1.00 0.00 C ATOM 1473 C THR A 100 -11.276 -0.969 -10.315 1.00 0.00 C ATOM 1474 O THR A 100 -12.463 -1.109 -10.023 1.00 0.00 O ATOM 1475 CB THR A 100 -10.829 -1.082 -7.863 1.00 0.00 C ATOM 1476 OG1 THR A 100 -11.563 0.138 -7.716 1.00 0.00 O ATOM 1477 CG2 THR A 100 -9.767 -1.175 -6.777 1.00 0.00 C ATOM 0 H THR A 100 -8.203 -0.479 -9.190 1.00 0.00 H new ATOM 0 HA THR A 100 -9.715 -2.120 -9.392 1.00 0.00 H new ATOM 0 HB THR A 100 -11.508 -1.928 -7.759 1.00 0.00 H new ATOM 0 HG1 THR A 100 -11.304 0.577 -6.879 1.00 0.00 H new ATOM 0 HG21 THR A 100 -10.243 -1.127 -5.798 1.00 0.00 H new ATOM 0 HG22 THR A 100 -9.230 -2.118 -6.873 1.00 0.00 H new ATOM 0 HG23 THR A 100 -9.067 -0.346 -6.881 1.00 0.00 H new ATOM 1485 N GLN A 101 -10.863 -0.661 -11.540 1.00 0.00 N ATOM 1486 CA GLN A 101 -11.804 -0.464 -12.636 1.00 0.00 C ATOM 1487 C GLN A 101 -13.077 0.216 -12.145 1.00 0.00 C ATOM 1488 O GLN A 101 -14.185 -0.256 -12.403 1.00 0.00 O ATOM 1489 CB GLN A 101 -12.147 -1.805 -13.289 1.00 0.00 C ATOM 1490 CG GLN A 101 -11.089 -2.294 -14.265 1.00 0.00 C ATOM 1491 CD GLN A 101 -11.313 -3.731 -14.695 1.00 0.00 C ATOM 1492 OE1 GLN A 101 -11.266 -4.650 -13.878 1.00 0.00 O ATOM 1493 NE2 GLN A 101 -11.557 -3.931 -15.985 1.00 0.00 N ATOM 0 H GLN A 101 -9.883 -0.543 -11.798 1.00 0.00 H new ATOM 0 HA GLN A 101 -11.331 0.182 -13.376 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -12.285 -2.555 -12.510 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -13.098 -1.712 -13.813 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -11.087 -1.651 -15.145 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.105 -2.206 -13.804 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -11.587 -3.139 -16.627 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -11.715 -4.877 -16.334 1.00 0.00 H new ATOM 1502 N LEU A 102 -12.912 1.327 -11.436 1.00 0.00 N ATOM 1503 CA LEU A 102 -14.049 2.073 -10.908 1.00 0.00 C ATOM 1504 C LEU A 102 -14.280 3.352 -11.707 1.00 0.00 C ATOM 1505 O LEU A 102 -15.364 3.934 -11.666 1.00 0.00 O ATOM 1506 CB LEU A 102 -13.820 2.414 -9.434 1.00 0.00 C ATOM 1507 CG LEU A 102 -12.876 3.584 -9.155 1.00 0.00 C ATOM 1508 CD1 LEU A 102 -13.633 4.903 -9.199 1.00 0.00 C ATOM 1509 CD2 LEU A 102 -12.189 3.406 -7.809 1.00 0.00 C ATOM 0 H LEU A 102 -12.002 1.731 -11.213 1.00 0.00 H new ATOM 0 HA LEU A 102 -14.936 1.446 -10.997 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -14.785 2.635 -8.979 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.427 1.529 -8.934 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.111 3.602 -9.931 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.945 5.724 -8.998 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -14.077 5.035 -10.186 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -14.420 4.896 -8.445 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.521 4.248 -7.627 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.940 3.362 -7.020 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.613 2.481 -7.814 1.00 0.00 H new ATOM 1521 N ASP A 103 -13.256 3.781 -12.435 1.00 0.00 N ATOM 1522 CA ASP A 103 -13.348 4.989 -13.248 1.00 0.00 C ATOM 1523 C ASP A 103 -12.354 4.943 -14.404 1.00 0.00 C ATOM 1524 O ASP A 103 -11.141 4.965 -14.194 1.00 0.00 O ATOM 1525 CB ASP A 103 -13.094 6.228 -12.388 1.00 0.00 C ATOM 1526 CG ASP A 103 -11.689 6.260 -11.819 1.00 0.00 C ATOM 1527 OD1 ASP A 103 -11.265 5.243 -11.231 1.00 0.00 O ATOM 1528 OD2 ASP A 103 -11.014 7.301 -11.962 1.00 0.00 O ATOM 0 H ASP A 103 -12.352 3.311 -12.479 1.00 0.00 H new ATOM 0 HA ASP A 103 -14.355 5.044 -13.661 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -13.261 7.123 -12.987 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -13.815 6.253 -11.571 1.00 0.00 H new ATOM 1533 N SER A 104 -12.876 4.879 -15.625 1.00 0.00 N ATOM 1534 CA SER A 104 -12.034 4.826 -16.814 1.00 0.00 C ATOM 1535 C SER A 104 -11.684 6.231 -17.296 1.00 0.00 C ATOM 1536 O SER A 104 -12.541 6.958 -17.796 1.00 0.00 O ATOM 1537 CB SER A 104 -12.739 4.052 -17.929 1.00 0.00 C ATOM 1538 OG SER A 104 -13.912 4.725 -18.354 1.00 0.00 O ATOM 0 H SER A 104 -13.878 4.863 -15.816 1.00 0.00 H new ATOM 0 HA SER A 104 -11.110 4.311 -16.552 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.062 3.927 -18.774 1.00 0.00 H new ATOM 0 HB3 SER A 104 -12.996 3.053 -17.576 1.00 0.00 H new ATOM 0 HG SER A 104 -13.737 5.688 -18.404 1.00 0.00 H new ATOM 1544 N GLY A 105 -10.418 6.605 -17.141 1.00 0.00 N ATOM 1545 CA GLY A 105 -9.976 7.921 -17.564 1.00 0.00 C ATOM 1546 C GLY A 105 -8.543 7.921 -18.056 1.00 0.00 C ATOM 1547 O GLY A 105 -7.610 8.239 -17.318 1.00 0.00 O ATOM 0 H GLY A 105 -9.690 6.020 -16.730 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.629 8.282 -18.358 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -10.071 8.618 -16.731 1.00 0.00 H new ATOM 1551 N PRO A 106 -8.351 7.554 -19.332 1.00 0.00 N ATOM 1552 CA PRO A 106 -7.022 7.504 -19.950 1.00 0.00 C ATOM 1553 C PRO A 106 -6.426 8.892 -20.156 1.00 0.00 C ATOM 1554 O PRO A 106 -5.208 9.068 -20.110 1.00 0.00 O ATOM 1555 CB PRO A 106 -7.284 6.829 -21.299 1.00 0.00 C ATOM 1556 CG PRO A 106 -8.713 7.123 -21.599 1.00 0.00 C ATOM 1557 CD PRO A 106 -9.416 7.162 -20.270 1.00 0.00 C ATOM 0 HA PRO A 106 -6.302 6.975 -19.326 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -6.627 7.225 -22.074 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -7.103 5.755 -21.246 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -8.814 8.074 -22.122 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.142 6.357 -22.245 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -10.236 7.880 -20.270 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -9.842 6.192 -20.012 1.00 0.00 H new ATOM 1565 N SER A 107 -7.291 9.875 -20.384 1.00 0.00 N ATOM 1566 CA SER A 107 -6.849 11.248 -20.600 1.00 0.00 C ATOM 1567 C SER A 107 -5.669 11.588 -19.694 1.00 0.00 C ATOM 1568 O SER A 107 -5.583 11.111 -18.563 1.00 0.00 O ATOM 1569 CB SER A 107 -7.999 12.223 -20.345 1.00 0.00 C ATOM 1570 OG SER A 107 -9.068 11.999 -21.248 1.00 0.00 O ATOM 0 H SER A 107 -8.302 9.746 -20.424 1.00 0.00 H new ATOM 0 HA SER A 107 -6.527 11.340 -21.637 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.355 12.111 -19.321 1.00 0.00 H new ATOM 0 HB3 SER A 107 -7.641 13.247 -20.448 1.00 0.00 H new ATOM 0 HG SER A 107 -9.791 12.634 -21.063 1.00 0.00 H new ATOM 1576 N SER A 108 -4.761 12.415 -20.201 1.00 0.00 N ATOM 1577 CA SER A 108 -3.583 12.817 -19.441 1.00 0.00 C ATOM 1578 C SER A 108 -3.464 14.337 -19.387 1.00 0.00 C ATOM 1579 O SER A 108 -3.344 14.923 -18.312 1.00 0.00 O ATOM 1580 CB SER A 108 -2.320 12.216 -20.062 1.00 0.00 C ATOM 1581 OG SER A 108 -1.282 12.110 -19.103 1.00 0.00 O ATOM 0 H SER A 108 -4.818 12.820 -21.135 1.00 0.00 H new ATOM 0 HA SER A 108 -3.692 12.443 -18.423 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.545 11.230 -20.470 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.989 12.837 -20.894 1.00 0.00 H new ATOM 0 HG SER A 108 -0.486 11.722 -19.524 1.00 0.00 H new ATOM 1587 N GLY A 109 -3.497 14.969 -20.556 1.00 0.00 N ATOM 1588 CA GLY A 109 -3.392 16.415 -20.621 1.00 0.00 C ATOM 1589 C GLY A 109 -2.780 16.894 -21.922 1.00 0.00 C ATOM 1590 O GLY A 109 -1.587 17.190 -21.983 1.00 0.00 O ATOM 0 H GLY A 109 -3.595 14.505 -21.459 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.383 16.854 -20.506 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.788 16.770 -19.786 1.00 0.00 H new TER 1594 GLY A 109