USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 499 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+ -175:sc= 0 (180deg=-0.0223) 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 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 35:sc= 0.402 USER MOD Single : A 10 GLN : amide:sc=-0.00722 X(o=-0.0072,f=-0.0072) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.466 F(o=-3.2!,f=-0.47) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -0.748 K(o=-0.75,f=-1.8) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 82:sc= 1.14 USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0296) USER MOD Single : A 37 GLN : amide:sc= -3.21! C(o=-3.2!,f=-3.5!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.0781 X(o=-0.078,f=-0.071) USER MOD Single : A 54 ASN : amide:sc= -0.026 K(o=-0.026,f=-1.1!) USER MOD Single : A 55 GLN : amide:sc= -0.092 X(o=-0.092,f=-0.49) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.394 USER MOD Single : A 62 SER OG : rot 180:sc= -0.173 USER MOD Single : A 63 SER OG : rot 25:sc= 0.232 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.997 15.920 -13.090 1.00 0.00 N ATOM 2 CA GLY A 1 3.107 14.948 -12.019 1.00 0.00 C ATOM 3 C GLY A 1 2.135 13.796 -12.180 1.00 0.00 C ATOM 4 O GLY A 1 2.494 12.637 -11.968 1.00 0.00 O ATOM 0 H1 GLY A 1 3.738 16.642 -12.981 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.112 15.442 -14.006 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.062 16.374 -13.052 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.125 14.559 -11.989 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.926 15.442 -11.064 1.00 0.00 H new ATOM 8 N SER A 2 0.900 14.113 -12.554 1.00 0.00 N ATOM 9 CA SER A 2 -0.129 13.096 -12.738 1.00 0.00 C ATOM 10 C SER A 2 0.049 12.379 -14.073 1.00 0.00 C ATOM 11 O SER A 2 0.240 11.164 -14.117 1.00 0.00 O ATOM 12 CB SER A 2 -1.520 13.728 -12.668 1.00 0.00 C ATOM 13 OG SER A 2 -2.530 12.768 -12.925 1.00 0.00 O ATOM 0 H SER A 2 0.587 15.067 -12.736 1.00 0.00 H new ATOM 0 HA SER A 2 -0.029 12.365 -11.936 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.674 14.167 -11.682 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.591 14.539 -13.393 1.00 0.00 H new ATOM 0 HG SER A 2 -3.410 13.197 -12.873 1.00 0.00 H new ATOM 19 N SER A 3 -0.015 13.141 -15.160 1.00 0.00 N ATOM 20 CA SER A 3 0.135 12.579 -16.497 1.00 0.00 C ATOM 21 C SER A 3 1.539 12.017 -16.696 1.00 0.00 C ATOM 22 O SER A 3 2.451 12.306 -15.922 1.00 0.00 O ATOM 23 CB SER A 3 -0.156 13.644 -17.557 1.00 0.00 C ATOM 24 OG SER A 3 0.853 14.640 -17.568 1.00 0.00 O ATOM 0 H SER A 3 -0.170 14.149 -15.141 1.00 0.00 H new ATOM 0 HA SER A 3 -0.582 11.765 -16.604 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.221 13.176 -18.539 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.124 14.104 -17.359 1.00 0.00 H new ATOM 0 HG SER A 3 0.646 15.308 -18.254 1.00 0.00 H new ATOM 30 N GLY A 4 1.705 11.212 -17.741 1.00 0.00 N ATOM 31 CA GLY A 4 3.000 10.622 -18.024 1.00 0.00 C ATOM 32 C GLY A 4 2.976 9.108 -17.951 1.00 0.00 C ATOM 33 O GLY A 4 2.639 8.535 -16.915 1.00 0.00 O ATOM 0 H GLY A 4 0.966 10.958 -18.396 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.327 10.930 -19.017 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.733 11.005 -17.314 1.00 0.00 H new ATOM 37 N SER A 5 3.333 8.458 -19.055 1.00 0.00 N ATOM 38 CA SER A 5 3.345 7.001 -19.113 1.00 0.00 C ATOM 39 C SER A 5 4.747 6.458 -18.852 1.00 0.00 C ATOM 40 O SER A 5 5.203 5.535 -19.527 1.00 0.00 O ATOM 41 CB SER A 5 2.846 6.520 -20.477 1.00 0.00 C ATOM 42 OG SER A 5 1.488 6.874 -20.677 1.00 0.00 O ATOM 0 H SER A 5 3.617 8.917 -19.920 1.00 0.00 H new ATOM 0 HA SER A 5 2.678 6.626 -18.337 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.459 6.956 -21.266 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.957 5.438 -20.548 1.00 0.00 H new ATOM 0 HG SER A 5 1.193 6.557 -21.556 1.00 0.00 H new ATOM 48 N SER A 6 5.425 7.039 -17.867 1.00 0.00 N ATOM 49 CA SER A 6 6.777 6.618 -17.518 1.00 0.00 C ATOM 50 C SER A 6 6.785 5.175 -17.022 1.00 0.00 C ATOM 51 O SER A 6 5.757 4.646 -16.600 1.00 0.00 O ATOM 52 CB SER A 6 7.361 7.540 -16.447 1.00 0.00 C ATOM 53 OG SER A 6 8.735 7.270 -16.234 1.00 0.00 O ATOM 0 H SER A 6 5.060 7.802 -17.297 1.00 0.00 H new ATOM 0 HA SER A 6 7.393 6.680 -18.415 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.234 8.579 -16.750 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.813 7.411 -15.514 1.00 0.00 H new ATOM 0 HG SER A 6 9.084 7.874 -15.546 1.00 0.00 H new ATOM 59 N GLY A 7 7.954 4.543 -17.077 1.00 0.00 N ATOM 60 CA GLY A 7 8.075 3.168 -16.630 1.00 0.00 C ATOM 61 C GLY A 7 8.590 3.063 -15.209 1.00 0.00 C ATOM 62 O GLY A 7 9.781 3.251 -14.955 1.00 0.00 O ATOM 0 H GLY A 7 8.819 4.959 -17.423 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.102 2.681 -16.697 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.748 2.630 -17.298 1.00 0.00 H new ATOM 66 N THR A 8 7.692 2.762 -14.276 1.00 0.00 N ATOM 67 CA THR A 8 8.061 2.635 -12.872 1.00 0.00 C ATOM 68 C THR A 8 7.496 1.355 -12.268 1.00 0.00 C ATOM 69 O THR A 8 6.280 1.171 -12.205 1.00 0.00 O ATOM 70 CB THR A 8 7.565 3.840 -12.050 1.00 0.00 C ATOM 71 OG1 THR A 8 6.151 3.993 -12.209 1.00 0.00 O ATOM 72 CG2 THR A 8 8.271 5.117 -12.481 1.00 0.00 C ATOM 0 H THR A 8 6.703 2.602 -14.468 1.00 0.00 H new ATOM 0 HA THR A 8 9.150 2.601 -12.833 1.00 0.00 H new ATOM 0 HB THR A 8 7.794 3.654 -11.001 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.734 3.110 -12.294 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.904 5.954 -11.887 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.345 5.008 -12.330 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.070 5.306 -13.536 1.00 0.00 H new ATOM 80 N ALA A 9 8.385 0.472 -11.824 1.00 0.00 N ATOM 81 CA ALA A 9 7.973 -0.790 -11.223 1.00 0.00 C ATOM 82 C ALA A 9 8.257 -0.802 -9.724 1.00 0.00 C ATOM 83 O ALA A 9 8.191 -1.849 -9.080 1.00 0.00 O ATOM 84 CB ALA A 9 8.677 -1.954 -11.905 1.00 0.00 C ATOM 0 H ALA A 9 9.395 0.608 -11.869 1.00 0.00 H new ATOM 0 HA ALA A 9 6.897 -0.898 -11.364 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.360 -2.890 -11.446 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.421 -1.964 -12.964 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.756 -1.842 -11.794 1.00 0.00 H new ATOM 90 N GLN A 10 8.574 0.367 -9.177 1.00 0.00 N ATOM 91 CA GLN A 10 8.870 0.489 -7.755 1.00 0.00 C ATOM 92 C GLN A 10 7.700 -0.009 -6.911 1.00 0.00 C ATOM 93 O GLN A 10 6.562 -0.095 -7.373 1.00 0.00 O ATOM 94 CB GLN A 10 9.187 1.942 -7.401 1.00 0.00 C ATOM 95 CG GLN A 10 10.662 2.290 -7.522 1.00 0.00 C ATOM 96 CD GLN A 10 11.141 2.305 -8.960 1.00 0.00 C ATOM 97 OE1 GLN A 10 10.654 3.082 -9.782 1.00 0.00 O ATOM 98 NE2 GLN A 10 12.102 1.443 -9.273 1.00 0.00 N ATOM 0 H GLN A 10 8.632 1.243 -9.697 1.00 0.00 H new ATOM 0 HA GLN A 10 9.741 -0.129 -7.537 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.612 2.600 -8.053 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.858 2.139 -6.380 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.839 3.268 -7.074 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.250 1.568 -6.955 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.477 0.817 -8.561 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.465 1.407 -10.226 1.00 0.00 H new ATOM 107 N PRO A 11 7.984 -0.344 -5.644 1.00 0.00 N ATOM 108 CA PRO A 11 6.969 -0.839 -4.709 1.00 0.00 C ATOM 109 C PRO A 11 5.978 0.246 -4.303 1.00 0.00 C ATOM 110 O PRO A 11 4.783 -0.012 -4.163 1.00 0.00 O ATOM 111 CB PRO A 11 7.791 -1.292 -3.500 1.00 0.00 C ATOM 112 CG PRO A 11 9.039 -0.481 -3.564 1.00 0.00 C ATOM 113 CD PRO A 11 9.319 -0.267 -5.026 1.00 0.00 C ATOM 0 HA PRO A 11 6.361 -1.630 -5.148 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.253 -1.118 -2.568 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.009 -2.359 -3.547 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.913 0.471 -3.047 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.867 -0.999 -3.080 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.791 0.699 -5.208 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.990 -1.029 -5.422 1.00 0.00 H new ATOM 121 N ASN A 12 6.482 1.462 -4.115 1.00 0.00 N ATOM 122 CA ASN A 12 5.640 2.586 -3.725 1.00 0.00 C ATOM 123 C ASN A 12 5.110 3.322 -4.952 1.00 0.00 C ATOM 124 O ASN A 12 3.929 3.660 -5.024 1.00 0.00 O ATOM 125 CB ASN A 12 6.425 3.554 -2.836 1.00 0.00 C ATOM 126 CG ASN A 12 6.701 2.980 -1.460 1.00 0.00 C ATOM 127 OD1 ASN A 12 6.921 1.672 -1.397 1.00 0.00 O flip ATOM 128 ND2 ASN A 12 6.716 3.705 -0.465 1.00 0.00 N flip ATOM 0 H ASN A 12 7.469 1.693 -4.227 1.00 0.00 H new ATOM 0 HA ASN A 12 4.792 2.194 -3.164 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.370 3.802 -3.319 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.866 4.484 -2.733 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.541 4.705 -0.560 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.903 3.305 0.455 1.00 0.00 H new ATOM 135 N ALA A 13 5.992 3.564 -5.916 1.00 0.00 N ATOM 136 CA ALA A 13 5.613 4.256 -7.142 1.00 0.00 C ATOM 137 C ALA A 13 4.302 3.711 -7.697 1.00 0.00 C ATOM 138 O ALA A 13 3.371 4.469 -7.972 1.00 0.00 O ATOM 139 CB ALA A 13 6.719 4.135 -8.180 1.00 0.00 C ATOM 0 H ALA A 13 6.974 3.291 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 13 5.466 5.310 -6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.422 4.656 -9.090 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.635 4.579 -7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.893 3.083 -8.405 1.00 0.00 H new ATOM 145 N ILE A 14 4.236 2.395 -7.860 1.00 0.00 N ATOM 146 CA ILE A 14 3.038 1.749 -8.382 1.00 0.00 C ATOM 147 C ILE A 14 1.837 2.004 -7.477 1.00 0.00 C ATOM 148 O ILE A 14 0.747 2.329 -7.950 1.00 0.00 O ATOM 149 CB ILE A 14 3.238 0.230 -8.534 1.00 0.00 C ATOM 150 CG1 ILE A 14 4.481 -0.061 -9.377 1.00 0.00 C ATOM 151 CG2 ILE A 14 2.006 -0.406 -9.161 1.00 0.00 C ATOM 152 CD1 ILE A 14 5.021 -1.462 -9.193 1.00 0.00 C ATOM 0 H ILE A 14 4.998 1.754 -7.638 1.00 0.00 H new ATOM 0 HA ILE A 14 2.849 2.182 -9.364 1.00 0.00 H new ATOM 0 HB ILE A 14 3.383 -0.203 -7.544 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.241 0.092 -10.429 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.260 0.657 -9.121 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.162 -1.480 -9.262 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.139 -0.224 -8.526 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.833 0.030 -10.145 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.902 -1.598 -9.821 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.293 -1.613 -8.148 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.258 -2.186 -9.477 1.00 0.00 H new ATOM 164 N LEU A 15 2.044 1.857 -6.173 1.00 0.00 N ATOM 165 CA LEU A 15 0.979 2.074 -5.200 1.00 0.00 C ATOM 166 C LEU A 15 0.346 3.449 -5.383 1.00 0.00 C ATOM 167 O LEU A 15 -0.847 3.631 -5.142 1.00 0.00 O ATOM 168 CB LEU A 15 1.525 1.936 -3.778 1.00 0.00 C ATOM 169 CG LEU A 15 1.476 0.532 -3.174 1.00 0.00 C ATOM 170 CD1 LEU A 15 2.413 0.432 -1.980 1.00 0.00 C ATOM 171 CD2 LEU A 15 0.053 0.174 -2.770 1.00 0.00 C ATOM 0 H LEU A 15 2.939 1.588 -5.765 1.00 0.00 H new ATOM 0 HA LEU A 15 0.212 1.317 -5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.561 2.276 -3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.965 2.609 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 15 1.807 -0.180 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.365 -0.574 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.433 0.644 -2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.113 1.154 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.037 -0.828 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.306 0.890 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.593 0.204 -3.648 1.00 0.00 H new ATOM 183 N GLU A 16 1.153 4.414 -5.813 1.00 0.00 N ATOM 184 CA GLU A 16 0.670 5.773 -6.029 1.00 0.00 C ATOM 185 C GLU A 16 -0.108 5.872 -7.338 1.00 0.00 C ATOM 186 O GLU A 16 -1.199 6.442 -7.383 1.00 0.00 O ATOM 187 CB GLU A 16 1.842 6.758 -6.044 1.00 0.00 C ATOM 188 CG GLU A 16 1.419 8.203 -6.247 1.00 0.00 C ATOM 189 CD GLU A 16 1.231 8.556 -7.710 1.00 0.00 C ATOM 190 OE1 GLU A 16 2.039 8.093 -8.542 1.00 0.00 O ATOM 191 OE2 GLU A 16 0.274 9.295 -8.023 1.00 0.00 O ATOM 0 H GLU A 16 2.143 4.280 -6.018 1.00 0.00 H new ATOM 0 HA GLU A 16 0.000 6.028 -5.208 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.387 6.676 -5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.533 6.475 -6.838 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.487 8.384 -5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.170 8.862 -5.812 1.00 0.00 H new ATOM 198 N LYS A 17 0.460 5.314 -8.401 1.00 0.00 N ATOM 199 CA LYS A 17 -0.179 5.337 -9.712 1.00 0.00 C ATOM 200 C LYS A 17 -1.560 4.692 -9.655 1.00 0.00 C ATOM 201 O LYS A 17 -2.516 5.194 -10.247 1.00 0.00 O ATOM 202 CB LYS A 17 0.692 4.612 -10.740 1.00 0.00 C ATOM 203 CG LYS A 17 -0.009 4.365 -12.065 1.00 0.00 C ATOM 204 CD LYS A 17 0.985 4.061 -13.173 1.00 0.00 C ATOM 205 CE LYS A 17 1.457 5.332 -13.863 1.00 0.00 C ATOM 206 NZ LYS A 17 0.563 5.716 -14.990 1.00 0.00 N ATOM 0 H LYS A 17 1.363 4.840 -8.381 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.295 6.378 -10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.593 5.199 -10.919 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.011 3.657 -10.324 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.704 3.532 -11.960 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.599 5.241 -12.334 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.842 3.531 -12.759 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.524 3.398 -13.905 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.497 6.145 -13.138 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.471 5.187 -14.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.919 6.587 -15.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.544 4.951 -15.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.399 5.879 -14.630 1.00 0.00 H new ATOM 220 N VAL A 18 -1.659 3.578 -8.937 1.00 0.00 N ATOM 221 CA VAL A 18 -2.924 2.866 -8.801 1.00 0.00 C ATOM 222 C VAL A 18 -3.819 3.530 -7.761 1.00 0.00 C ATOM 223 O VAL A 18 -4.988 3.172 -7.612 1.00 0.00 O ATOM 224 CB VAL A 18 -2.701 1.394 -8.406 1.00 0.00 C ATOM 225 CG1 VAL A 18 -4.030 0.704 -8.141 1.00 0.00 C ATOM 226 CG2 VAL A 18 -1.918 0.665 -9.487 1.00 0.00 C ATOM 0 H VAL A 18 -0.878 3.149 -8.440 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.414 2.902 -9.774 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.117 1.368 -7.486 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.852 -0.335 -7.863 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.548 1.213 -7.328 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.644 0.739 -9.041 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.770 -0.374 -9.191 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.473 0.700 -10.424 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.949 1.146 -9.621 1.00 0.00 H new ATOM 236 N PHE A 19 -3.263 4.500 -7.042 1.00 0.00 N ATOM 237 CA PHE A 19 -4.011 5.214 -6.014 1.00 0.00 C ATOM 238 C PHE A 19 -4.784 6.383 -6.618 1.00 0.00 C ATOM 239 O PHE A 19 -5.811 6.806 -6.085 1.00 0.00 O ATOM 240 CB PHE A 19 -3.064 5.723 -4.926 1.00 0.00 C ATOM 241 CG PHE A 19 -3.765 6.443 -3.810 1.00 0.00 C ATOM 242 CD1 PHE A 19 -4.220 7.740 -3.983 1.00 0.00 C ATOM 243 CD2 PHE A 19 -3.968 5.824 -2.587 1.00 0.00 C ATOM 244 CE1 PHE A 19 -4.866 8.406 -2.958 1.00 0.00 C ATOM 245 CE2 PHE A 19 -4.614 6.484 -1.559 1.00 0.00 C ATOM 246 CZ PHE A 19 -5.062 7.777 -1.744 1.00 0.00 C ATOM 0 H PHE A 19 -2.297 4.809 -7.152 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.724 4.520 -5.570 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.511 4.879 -4.513 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.332 6.393 -5.377 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.068 8.237 -4.930 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.617 4.814 -2.435 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.217 9.417 -3.106 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.768 5.989 -0.612 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.565 8.295 -0.941 1.00 0.00 H new ATOM 256 N THR A 20 -4.284 6.902 -7.735 1.00 0.00 N ATOM 257 CA THR A 20 -4.925 8.023 -8.411 1.00 0.00 C ATOM 258 C THR A 20 -5.351 7.642 -9.824 1.00 0.00 C ATOM 259 O THR A 20 -6.455 7.966 -10.259 1.00 0.00 O ATOM 260 CB THR A 20 -3.992 9.246 -8.480 1.00 0.00 C ATOM 261 OG1 THR A 20 -2.909 8.986 -9.381 1.00 0.00 O ATOM 262 CG2 THR A 20 -3.442 9.586 -7.103 1.00 0.00 C ATOM 0 H THR A 20 -3.437 6.564 -8.191 1.00 0.00 H new ATOM 0 HA THR A 20 -5.807 8.282 -7.826 1.00 0.00 H new ATOM 0 HB THR A 20 -4.570 10.096 -8.843 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.321 9.769 -9.421 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.786 10.453 -7.177 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.267 9.812 -6.427 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.879 8.737 -6.716 1.00 0.00 H new ATOM 270 N ALA A 21 -4.467 6.951 -10.537 1.00 0.00 N ATOM 271 CA ALA A 21 -4.753 6.523 -11.901 1.00 0.00 C ATOM 272 C ALA A 21 -5.901 5.520 -11.933 1.00 0.00 C ATOM 273 O ALA A 21 -6.638 5.437 -12.916 1.00 0.00 O ATOM 274 CB ALA A 21 -3.508 5.923 -12.537 1.00 0.00 C ATOM 0 H ALA A 21 -3.547 6.676 -10.193 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.055 7.399 -12.475 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.736 5.608 -13.555 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.714 6.669 -12.557 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.181 5.061 -11.955 1.00 0.00 H new ATOM 280 N ILE A 22 -6.047 4.760 -10.852 1.00 0.00 N ATOM 281 CA ILE A 22 -7.106 3.763 -10.757 1.00 0.00 C ATOM 282 C ILE A 22 -8.137 4.156 -9.705 1.00 0.00 C ATOM 283 O ILE A 22 -9.286 4.462 -10.028 1.00 0.00 O ATOM 284 CB ILE A 22 -6.541 2.373 -10.413 1.00 0.00 C ATOM 285 CG1 ILE A 22 -5.378 2.026 -11.344 1.00 0.00 C ATOM 286 CG2 ILE A 22 -7.634 1.319 -10.507 1.00 0.00 C ATOM 287 CD1 ILE A 22 -5.798 1.805 -12.780 1.00 0.00 C ATOM 0 H ILE A 22 -5.445 4.816 -10.030 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.587 3.718 -11.734 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.168 2.392 -9.389 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.643 2.830 -11.309 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.885 1.127 -10.976 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.219 0.342 -10.261 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.434 1.560 -9.807 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.034 1.299 -11.521 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.922 1.563 -13.382 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.510 0.981 -12.828 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.265 2.711 -13.166 1.00 0.00 H new ATOM 299 N THR A 23 -7.720 4.146 -8.442 1.00 0.00 N ATOM 300 CA THR A 23 -8.606 4.501 -7.341 1.00 0.00 C ATOM 301 C THR A 23 -7.836 4.616 -6.031 1.00 0.00 C ATOM 302 O THR A 23 -6.916 3.841 -5.769 1.00 0.00 O ATOM 303 CB THR A 23 -9.735 3.466 -7.172 1.00 0.00 C ATOM 304 OG1 THR A 23 -10.581 3.839 -6.079 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.163 2.078 -6.928 1.00 0.00 C ATOM 0 H THR A 23 -6.773 3.896 -8.157 1.00 0.00 H new ATOM 0 HA THR A 23 -9.044 5.468 -7.587 1.00 0.00 H new ATOM 0 HB THR A 23 -10.320 3.444 -8.092 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.297 3.177 -5.979 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.978 1.364 -6.812 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.543 1.786 -7.775 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.557 2.088 -6.022 1.00 0.00 H new ATOM 313 N LYS A 24 -8.219 5.587 -5.208 1.00 0.00 N ATOM 314 CA LYS A 24 -7.567 5.802 -3.922 1.00 0.00 C ATOM 315 C LYS A 24 -7.980 4.733 -2.916 1.00 0.00 C ATOM 316 O LYS A 24 -7.170 4.283 -2.105 1.00 0.00 O ATOM 317 CB LYS A 24 -7.912 7.190 -3.378 1.00 0.00 C ATOM 318 CG LYS A 24 -7.815 8.293 -4.419 1.00 0.00 C ATOM 319 CD LYS A 24 -8.114 9.656 -3.817 1.00 0.00 C ATOM 320 CE LYS A 24 -8.163 10.738 -4.884 1.00 0.00 C ATOM 321 NZ LYS A 24 -9.437 10.698 -5.656 1.00 0.00 N ATOM 0 H LYS A 24 -8.978 6.238 -5.409 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.490 5.735 -4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.924 7.171 -2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.242 7.423 -2.550 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.815 8.298 -4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.514 8.091 -5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.067 9.621 -3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.351 9.905 -3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.053 11.716 -4.415 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.321 10.615 -5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.432 11.451 -6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.530 9.774 -6.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.239 10.841 -5.010 1.00 0.00 H new ATOM 335 N HIS A 25 -9.245 4.329 -2.975 1.00 0.00 N ATOM 336 CA HIS A 25 -9.765 3.311 -2.069 1.00 0.00 C ATOM 337 C HIS A 25 -10.068 2.019 -2.822 1.00 0.00 C ATOM 338 O HIS A 25 -11.205 1.751 -3.212 1.00 0.00 O ATOM 339 CB HIS A 25 -11.028 3.816 -1.371 1.00 0.00 C ATOM 340 CG HIS A 25 -10.750 4.614 -0.135 1.00 0.00 C ATOM 341 ND1 HIS A 25 -11.455 4.453 1.040 1.00 0.00 N ATOM 342 CD2 HIS A 25 -9.836 5.583 0.107 1.00 0.00 C ATOM 343 CE1 HIS A 25 -10.988 5.289 1.949 1.00 0.00 C ATOM 344 NE2 HIS A 25 -10.005 5.986 1.409 1.00 0.00 N ATOM 0 H HIS A 25 -9.928 4.691 -3.640 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.003 3.104 -1.318 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.599 4.429 -2.069 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.655 2.963 -1.110 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -12.218 3.791 1.184 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.109 5.967 -0.593 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.349 5.386 2.962 1.00 0.00 H new ATOM 353 N PRO A 26 -9.029 1.198 -3.033 1.00 0.00 N ATOM 354 CA PRO A 26 -9.159 -0.079 -3.740 1.00 0.00 C ATOM 355 C PRO A 26 -9.937 -1.113 -2.933 1.00 0.00 C ATOM 356 O PRO A 26 -10.179 -0.928 -1.740 1.00 0.00 O ATOM 357 CB PRO A 26 -7.708 -0.530 -3.929 1.00 0.00 C ATOM 358 CG PRO A 26 -6.958 0.136 -2.827 1.00 0.00 C ATOM 359 CD PRO A 26 -7.646 1.454 -2.596 1.00 0.00 C ATOM 0 HA PRO A 26 -9.712 0.027 -4.673 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.620 -1.615 -3.869 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.325 -0.232 -4.905 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.969 -0.474 -1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.913 0.284 -3.100 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.604 1.751 -1.548 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.184 2.255 -3.173 1.00 0.00 H new ATOM 367 N ASP A 27 -10.325 -2.200 -3.590 1.00 0.00 N ATOM 368 CA ASP A 27 -11.075 -3.264 -2.932 1.00 0.00 C ATOM 369 C ASP A 27 -10.158 -4.426 -2.562 1.00 0.00 C ATOM 370 O ASP A 27 -9.029 -4.515 -3.043 1.00 0.00 O ATOM 371 CB ASP A 27 -12.204 -3.757 -3.838 1.00 0.00 C ATOM 372 CG ASP A 27 -13.258 -2.694 -4.080 1.00 0.00 C ATOM 373 OD1 ASP A 27 -13.407 -1.800 -3.221 1.00 0.00 O ATOM 374 OD2 ASP A 27 -13.932 -2.756 -5.129 1.00 0.00 O ATOM 0 H ASP A 27 -10.133 -2.368 -4.578 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.506 -2.859 -2.016 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.787 -4.075 -4.793 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.672 -4.632 -3.387 1.00 0.00 H new ATOM 379 N GLU A 28 -10.652 -5.313 -1.705 1.00 0.00 N ATOM 380 CA GLU A 28 -9.876 -6.468 -1.270 1.00 0.00 C ATOM 381 C GLU A 28 -9.225 -7.166 -2.461 1.00 0.00 C ATOM 382 O GLU A 28 -8.093 -7.643 -2.373 1.00 0.00 O ATOM 383 CB GLU A 28 -10.768 -7.454 -0.513 1.00 0.00 C ATOM 384 CG GLU A 28 -11.981 -7.911 -1.306 1.00 0.00 C ATOM 385 CD GLU A 28 -13.156 -8.274 -0.419 1.00 0.00 C ATOM 386 OE1 GLU A 28 -13.664 -7.378 0.287 1.00 0.00 O ATOM 387 OE2 GLU A 28 -13.566 -9.453 -0.429 1.00 0.00 O ATOM 0 H GLU A 28 -11.586 -5.254 -1.298 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.090 -6.115 -0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.176 -8.326 -0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.104 -6.989 0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.280 -7.119 -1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.709 -8.774 -1.913 1.00 0.00 H new ATOM 394 N LYS A 29 -9.948 -7.222 -3.574 1.00 0.00 N ATOM 395 CA LYS A 29 -9.443 -7.860 -4.784 1.00 0.00 C ATOM 396 C LYS A 29 -8.477 -6.939 -5.522 1.00 0.00 C ATOM 397 O LYS A 29 -7.350 -7.325 -5.832 1.00 0.00 O ATOM 398 CB LYS A 29 -10.603 -8.244 -5.705 1.00 0.00 C ATOM 399 CG LYS A 29 -10.221 -8.295 -7.174 1.00 0.00 C ATOM 400 CD LYS A 29 -9.254 -9.431 -7.460 1.00 0.00 C ATOM 401 CE LYS A 29 -9.990 -10.714 -7.816 1.00 0.00 C ATOM 402 NZ LYS A 29 -9.149 -11.626 -8.638 1.00 0.00 N ATOM 0 H LYS A 29 -10.887 -6.833 -3.663 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.905 -8.762 -4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.988 -9.218 -5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.413 -7.527 -5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.118 -8.419 -7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.767 -7.348 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.593 -9.150 -8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.624 -9.602 -6.587 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.293 -11.225 -6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.902 -10.470 -8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.686 -12.488 -8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.881 -11.148 -9.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.291 -11.879 -8.108 1.00 0.00 H new ATOM 416 N ARG A 30 -8.925 -5.719 -5.799 1.00 0.00 N ATOM 417 CA ARG A 30 -8.100 -4.742 -6.500 1.00 0.00 C ATOM 418 C ARG A 30 -6.681 -4.727 -5.939 1.00 0.00 C ATOM 419 O ARG A 30 -5.719 -4.469 -6.664 1.00 0.00 O ATOM 420 CB ARG A 30 -8.718 -3.347 -6.390 1.00 0.00 C ATOM 421 CG ARG A 30 -8.420 -2.453 -7.582 1.00 0.00 C ATOM 422 CD ARG A 30 -7.099 -1.719 -7.411 1.00 0.00 C ATOM 423 NE ARG A 30 -6.543 -1.288 -8.691 1.00 0.00 N ATOM 424 CZ ARG A 30 -5.830 -2.078 -9.486 1.00 0.00 C ATOM 425 NH1 ARG A 30 -5.588 -3.334 -9.134 1.00 0.00 N ATOM 426 NH2 ARG A 30 -5.358 -1.613 -10.635 1.00 0.00 N ATOM 0 H ARG A 30 -9.855 -5.383 -5.549 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.055 -5.029 -7.550 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.798 -3.445 -6.281 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.349 -2.866 -5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.388 -3.054 -8.490 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.226 -1.730 -7.706 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.247 -0.851 -6.769 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.385 -2.370 -6.906 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.711 -0.328 -8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.950 -3.695 -8.251 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.040 -3.939 -9.746 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.542 -0.648 -10.909 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.811 -2.220 -11.245 1.00 0.00 H new ATOM 440 N LEU A 31 -6.558 -5.006 -4.646 1.00 0.00 N ATOM 441 CA LEU A 31 -5.257 -5.024 -3.988 1.00 0.00 C ATOM 442 C LEU A 31 -4.451 -6.249 -4.408 1.00 0.00 C ATOM 443 O LEU A 31 -3.266 -6.146 -4.723 1.00 0.00 O ATOM 444 CB LEU A 31 -5.432 -5.011 -2.468 1.00 0.00 C ATOM 445 CG LEU A 31 -6.110 -3.773 -1.881 1.00 0.00 C ATOM 446 CD1 LEU A 31 -6.868 -4.131 -0.612 1.00 0.00 C ATOM 447 CD2 LEU A 31 -5.084 -2.684 -1.602 1.00 0.00 C ATOM 0 H LEU A 31 -7.344 -5.223 -4.033 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.711 -4.131 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.012 -5.888 -2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.449 -5.115 -2.008 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.824 -3.393 -2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.344 -3.237 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.630 -4.876 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.174 -4.536 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.585 -1.811 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.346 -3.053 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.586 -2.407 -2.531 1.00 0.00 H new ATOM 459 N GLU A 32 -5.103 -7.407 -4.412 1.00 0.00 N ATOM 460 CA GLU A 32 -4.447 -8.651 -4.796 1.00 0.00 C ATOM 461 C GLU A 32 -3.537 -8.437 -6.001 1.00 0.00 C ATOM 462 O GLU A 32 -2.499 -9.085 -6.132 1.00 0.00 O ATOM 463 CB GLU A 32 -5.489 -9.726 -5.114 1.00 0.00 C ATOM 464 CG GLU A 32 -5.995 -10.466 -3.887 1.00 0.00 C ATOM 465 CD GLU A 32 -6.765 -11.723 -4.240 1.00 0.00 C ATOM 466 OE1 GLU A 32 -7.837 -11.606 -4.868 1.00 0.00 O ATOM 467 OE2 GLU A 32 -6.294 -12.825 -3.887 1.00 0.00 O ATOM 0 H GLU A 32 -6.084 -7.510 -4.154 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.837 -8.984 -3.957 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.334 -9.262 -5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.056 -10.446 -5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.149 -10.729 -3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.636 -9.803 -3.306 1.00 0.00 H new ATOM 474 N GLY A 33 -3.934 -7.523 -6.881 1.00 0.00 N ATOM 475 CA GLY A 33 -3.144 -7.240 -8.065 1.00 0.00 C ATOM 476 C GLY A 33 -1.773 -6.689 -7.729 1.00 0.00 C ATOM 477 O GLY A 33 -0.770 -7.096 -8.317 1.00 0.00 O ATOM 0 H GLY A 33 -4.789 -6.973 -6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.032 -8.153 -8.650 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.677 -6.524 -8.691 1.00 0.00 H new ATOM 481 N LEU A 34 -1.726 -5.760 -6.781 1.00 0.00 N ATOM 482 CA LEU A 34 -0.467 -5.150 -6.368 1.00 0.00 C ATOM 483 C LEU A 34 0.415 -6.162 -5.643 1.00 0.00 C ATOM 484 O LEU A 34 1.636 -6.159 -5.799 1.00 0.00 O ATOM 485 CB LEU A 34 -0.733 -3.947 -5.461 1.00 0.00 C ATOM 486 CG LEU A 34 -1.058 -2.632 -6.170 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.542 -1.592 -5.172 1.00 0.00 C ATOM 488 CD2 LEU A 34 0.159 -2.120 -6.928 1.00 0.00 C ATOM 0 H LEU A 34 -2.546 -5.412 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 34 0.056 -4.813 -7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.562 -4.194 -4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.143 -3.791 -4.832 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.858 -2.817 -6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.768 -0.663 -5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.441 -1.956 -4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.764 -1.410 -4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.090 -1.183 -7.427 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.979 -1.952 -6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.461 -2.857 -7.672 1.00 0.00 H new ATOM 500 N SER A 35 -0.212 -7.027 -4.852 1.00 0.00 N ATOM 501 CA SER A 35 0.517 -8.043 -4.102 1.00 0.00 C ATOM 502 C SER A 35 1.656 -8.622 -4.936 1.00 0.00 C ATOM 503 O SER A 35 2.673 -9.063 -4.399 1.00 0.00 O ATOM 504 CB SER A 35 -0.431 -9.163 -3.667 1.00 0.00 C ATOM 505 OG SER A 35 0.280 -10.220 -3.046 1.00 0.00 O ATOM 0 H SER A 35 -1.222 -7.045 -4.714 1.00 0.00 H new ATOM 0 HA SER A 35 0.942 -7.570 -3.217 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.175 -8.766 -2.977 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.971 -9.544 -4.534 1.00 0.00 H new ATOM 0 HG SER A 35 0.449 -9.994 -2.108 1.00 0.00 H new ATOM 511 N LYS A 36 1.478 -8.617 -6.253 1.00 0.00 N ATOM 512 CA LYS A 36 2.490 -9.139 -7.164 1.00 0.00 C ATOM 513 C LYS A 36 3.660 -8.168 -7.292 1.00 0.00 C ATOM 514 O LYS A 36 4.774 -8.465 -6.861 1.00 0.00 O ATOM 515 CB LYS A 36 1.878 -9.402 -8.542 1.00 0.00 C ATOM 516 CG LYS A 36 1.305 -10.800 -8.696 1.00 0.00 C ATOM 517 CD LYS A 36 0.363 -10.888 -9.885 1.00 0.00 C ATOM 518 CE LYS A 36 -0.143 -12.307 -10.091 1.00 0.00 C ATOM 519 NZ LYS A 36 0.918 -13.200 -10.637 1.00 0.00 N ATOM 0 H LYS A 36 0.642 -8.257 -6.713 1.00 0.00 H new ATOM 0 HA LYS A 36 2.863 -10.077 -6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.089 -8.673 -8.725 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.640 -9.245 -9.305 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.118 -11.516 -8.821 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.772 -11.078 -7.787 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.483 -10.218 -9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.878 -10.550 -10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.501 -12.706 -9.142 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.993 -12.294 -10.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.509 -14.130 -10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.313 -12.780 -11.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.673 -13.314 -9.931 1.00 0.00 H new ATOM 533 N GLN A 37 3.398 -7.008 -7.885 1.00 0.00 N ATOM 534 CA GLN A 37 4.430 -5.994 -8.069 1.00 0.00 C ATOM 535 C GLN A 37 5.105 -5.659 -6.743 1.00 0.00 C ATOM 536 O GLN A 37 6.332 -5.603 -6.655 1.00 0.00 O ATOM 537 CB GLN A 37 3.828 -4.729 -8.683 1.00 0.00 C ATOM 538 CG GLN A 37 3.115 -4.974 -10.003 1.00 0.00 C ATOM 539 CD GLN A 37 2.979 -3.715 -10.835 1.00 0.00 C ATOM 540 OE1 GLN A 37 1.915 -3.096 -10.877 1.00 0.00 O ATOM 541 NE2 GLN A 37 4.058 -3.327 -11.504 1.00 0.00 N ATOM 0 H GLN A 37 2.481 -6.747 -8.246 1.00 0.00 H new ATOM 0 HA GLN A 37 5.182 -6.395 -8.748 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.124 -4.291 -7.975 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.621 -3.997 -8.838 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.662 -5.724 -10.573 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.124 -5.383 -9.806 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.920 -3.869 -11.441 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.026 -2.486 -12.081 1.00 0.00 H new ATOM 550 N LEU A 38 4.296 -5.435 -5.713 1.00 0.00 N ATOM 551 CA LEU A 38 4.815 -5.104 -4.390 1.00 0.00 C ATOM 552 C LEU A 38 5.434 -6.329 -3.726 1.00 0.00 C ATOM 553 O LEU A 38 6.287 -6.206 -2.847 1.00 0.00 O ATOM 554 CB LEU A 38 3.698 -4.542 -3.509 1.00 0.00 C ATOM 555 CG LEU A 38 2.748 -3.549 -4.181 1.00 0.00 C ATOM 556 CD1 LEU A 38 1.804 -2.938 -3.157 1.00 0.00 C ATOM 557 CD2 LEU A 38 3.533 -2.462 -4.900 1.00 0.00 C ATOM 0 H LEU A 38 3.278 -5.477 -5.768 1.00 0.00 H new ATOM 0 HA LEU A 38 5.591 -4.348 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.109 -5.376 -3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.153 -4.053 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 38 2.153 -4.087 -4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.136 -2.234 -3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.217 -3.727 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.382 -2.414 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.841 -1.765 -5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.154 -1.926 -4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.168 -2.915 -5.662 1.00 0.00 H new ATOM 569 N ASP A 39 5.001 -7.510 -4.154 1.00 0.00 N ATOM 570 CA ASP A 39 5.516 -8.758 -3.603 1.00 0.00 C ATOM 571 C ASP A 39 5.179 -8.877 -2.120 1.00 0.00 C ATOM 572 O ASP A 39 5.909 -9.511 -1.357 1.00 0.00 O ATOM 573 CB ASP A 39 7.029 -8.844 -3.804 1.00 0.00 C ATOM 574 CG ASP A 39 7.403 -9.502 -5.118 1.00 0.00 C ATOM 575 OD1 ASP A 39 6.689 -10.438 -5.537 1.00 0.00 O ATOM 576 OD2 ASP A 39 8.408 -9.082 -5.728 1.00 0.00 O ATOM 0 H ASP A 39 4.295 -7.629 -4.880 1.00 0.00 H new ATOM 0 HA ASP A 39 5.040 -9.584 -4.133 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.455 -7.841 -3.769 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.470 -9.406 -2.981 1.00 0.00 H new ATOM 581 N TRP A 40 4.072 -8.264 -1.719 1.00 0.00 N ATOM 582 CA TRP A 40 3.640 -8.300 -0.326 1.00 0.00 C ATOM 583 C TRP A 40 2.301 -9.017 -0.190 1.00 0.00 C ATOM 584 O TRP A 40 1.762 -9.536 -1.168 1.00 0.00 O ATOM 585 CB TRP A 40 3.532 -6.880 0.233 1.00 0.00 C ATOM 586 CG TRP A 40 4.734 -6.034 -0.059 1.00 0.00 C ATOM 587 CD1 TRP A 40 6.000 -6.472 -0.324 1.00 0.00 C ATOM 588 CD2 TRP A 40 4.782 -4.604 -0.113 1.00 0.00 C ATOM 589 NE1 TRP A 40 6.832 -5.400 -0.540 1.00 0.00 N ATOM 590 CE2 TRP A 40 6.109 -4.243 -0.417 1.00 0.00 C ATOM 591 CE3 TRP A 40 3.833 -3.593 0.064 1.00 0.00 C ATOM 592 CZ2 TRP A 40 6.509 -2.916 -0.545 1.00 0.00 C ATOM 593 CZ3 TRP A 40 4.231 -2.276 -0.064 1.00 0.00 C ATOM 594 CH2 TRP A 40 5.559 -1.947 -0.367 1.00 0.00 C ATOM 0 H TRP A 40 3.457 -7.736 -2.338 1.00 0.00 H new ATOM 0 HA TRP A 40 4.386 -8.852 0.246 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.648 -6.399 -0.185 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.387 -6.932 1.312 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.303 -7.508 -0.359 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.827 -5.457 -0.757 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.807 -3.837 0.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.532 -2.660 -0.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.506 -1.487 0.072 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.838 -0.908 -0.462 1.00 0.00 H new ATOM 605 N ASP A 41 1.770 -9.042 1.027 1.00 0.00 N ATOM 606 CA ASP A 41 0.493 -9.695 1.290 1.00 0.00 C ATOM 607 C ASP A 41 -0.658 -8.699 1.184 1.00 0.00 C ATOM 608 O ASP A 41 -0.533 -7.543 1.589 1.00 0.00 O ATOM 609 CB ASP A 41 0.501 -10.338 2.678 1.00 0.00 C ATOM 610 CG ASP A 41 1.222 -11.671 2.693 1.00 0.00 C ATOM 611 OD1 ASP A 41 0.649 -12.663 2.195 1.00 0.00 O ATOM 612 OD2 ASP A 41 2.361 -11.723 3.203 1.00 0.00 O ATOM 0 H ASP A 41 2.204 -8.618 1.847 1.00 0.00 H new ATOM 0 HA ASP A 41 0.348 -10.472 0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.979 -9.661 3.386 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.526 -10.479 3.016 1.00 0.00 H new ATOM 617 N VAL A 42 -1.780 -9.155 0.637 1.00 0.00 N ATOM 618 CA VAL A 42 -2.954 -8.305 0.477 1.00 0.00 C ATOM 619 C VAL A 42 -3.139 -7.391 1.683 1.00 0.00 C ATOM 620 O VAL A 42 -3.726 -6.315 1.575 1.00 0.00 O ATOM 621 CB VAL A 42 -4.232 -9.143 0.281 1.00 0.00 C ATOM 622 CG1 VAL A 42 -5.453 -8.241 0.191 1.00 0.00 C ATOM 623 CG2 VAL A 42 -4.111 -10.016 -0.958 1.00 0.00 C ATOM 0 H VAL A 42 -1.901 -10.109 0.297 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.786 -7.698 -0.413 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.355 -9.795 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.346 -8.850 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.547 -7.663 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.342 -7.562 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.022 -10.601 -1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.963 -9.385 -1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.260 -10.688 -0.848 1.00 0.00 H new ATOM 633 N ARG A 43 -2.632 -7.827 2.832 1.00 0.00 N ATOM 634 CA ARG A 43 -2.742 -7.048 4.060 1.00 0.00 C ATOM 635 C ARG A 43 -1.650 -5.985 4.128 1.00 0.00 C ATOM 636 O ARG A 43 -1.900 -4.849 4.531 1.00 0.00 O ATOM 637 CB ARG A 43 -2.652 -7.966 5.280 1.00 0.00 C ATOM 638 CG ARG A 43 -3.852 -8.885 5.441 1.00 0.00 C ATOM 639 CD ARG A 43 -3.648 -9.874 6.578 1.00 0.00 C ATOM 640 NE ARG A 43 -4.769 -10.801 6.705 1.00 0.00 N ATOM 641 CZ ARG A 43 -5.006 -11.523 7.795 1.00 0.00 C ATOM 642 NH1 ARG A 43 -4.205 -11.425 8.846 1.00 0.00 N ATOM 643 NH2 ARG A 43 -6.047 -12.345 7.834 1.00 0.00 N ATOM 0 H ARG A 43 -2.141 -8.715 2.938 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.711 -6.549 4.060 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.749 -8.572 5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.550 -7.355 6.177 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.745 -8.289 5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.023 -9.428 4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.730 -10.437 6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.520 -9.329 7.514 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.405 -10.900 5.914 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.404 -10.794 8.820 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.389 -11.980 9.681 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.666 -12.423 7.027 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.228 -12.899 8.671 1.00 0.00 H new ATOM 657 N SER A 44 -0.438 -6.362 3.733 1.00 0.00 N ATOM 658 CA SER A 44 0.694 -5.442 3.754 1.00 0.00 C ATOM 659 C SER A 44 0.447 -4.257 2.825 1.00 0.00 C ATOM 660 O SER A 44 0.949 -3.157 3.058 1.00 0.00 O ATOM 661 CB SER A 44 1.976 -6.168 3.343 1.00 0.00 C ATOM 662 OG SER A 44 2.451 -6.997 4.390 1.00 0.00 O ATOM 0 H SER A 44 -0.215 -7.298 3.395 1.00 0.00 H new ATOM 0 HA SER A 44 0.808 -5.067 4.771 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.787 -6.771 2.455 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.741 -5.439 3.077 1.00 0.00 H new ATOM 0 HG SER A 44 3.270 -7.451 4.102 1.00 0.00 H new ATOM 668 N ILE A 45 -0.329 -4.490 1.772 1.00 0.00 N ATOM 669 CA ILE A 45 -0.643 -3.442 0.808 1.00 0.00 C ATOM 670 C ILE A 45 -1.543 -2.379 1.427 1.00 0.00 C ATOM 671 O ILE A 45 -1.166 -1.211 1.520 1.00 0.00 O ATOM 672 CB ILE A 45 -1.332 -4.017 -0.443 1.00 0.00 C ATOM 673 CG1 ILE A 45 -0.572 -5.243 -0.953 1.00 0.00 C ATOM 674 CG2 ILE A 45 -1.426 -2.956 -1.530 1.00 0.00 C ATOM 675 CD1 ILE A 45 -1.189 -5.867 -2.185 1.00 0.00 C ATOM 0 H ILE A 45 -0.752 -5.395 1.564 1.00 0.00 H new ATOM 0 HA ILE A 45 0.304 -2.988 0.515 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.342 -4.325 -0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.456 -4.956 -1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.529 -5.990 -0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.915 -3.377 -2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.006 -2.109 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.424 -2.621 -1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.598 -6.731 -2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.207 -6.185 -1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.207 -5.136 -2.993 1.00 0.00 H new ATOM 687 N GLN A 46 -2.733 -2.792 1.851 1.00 0.00 N ATOM 688 CA GLN A 46 -3.687 -1.874 2.463 1.00 0.00 C ATOM 689 C GLN A 46 -2.990 -0.944 3.451 1.00 0.00 C ATOM 690 O GLN A 46 -3.329 0.235 3.554 1.00 0.00 O ATOM 691 CB GLN A 46 -4.795 -2.654 3.172 1.00 0.00 C ATOM 692 CG GLN A 46 -5.879 -3.160 2.234 1.00 0.00 C ATOM 693 CD GLN A 46 -7.022 -3.830 2.971 1.00 0.00 C ATOM 694 OE1 GLN A 46 -8.063 -3.218 3.214 1.00 0.00 O ATOM 695 NE2 GLN A 46 -6.835 -5.094 3.331 1.00 0.00 N ATOM 0 H GLN A 46 -3.060 -3.756 1.782 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.129 -1.268 1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.353 -3.502 3.695 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.250 -2.015 3.929 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.268 -2.326 1.650 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.443 -3.867 1.528 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.957 -5.563 3.109 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.570 -5.596 3.829 1.00 0.00 H new ATOM 704 N ARG A 47 -2.016 -1.483 4.177 1.00 0.00 N ATOM 705 CA ARG A 47 -1.273 -0.702 5.158 1.00 0.00 C ATOM 706 C ARG A 47 -0.706 0.566 4.527 1.00 0.00 C ATOM 707 O ARG A 47 -0.775 1.647 5.112 1.00 0.00 O ATOM 708 CB ARG A 47 -0.139 -1.538 5.755 1.00 0.00 C ATOM 709 CG ARG A 47 -0.620 -2.643 6.681 1.00 0.00 C ATOM 710 CD ARG A 47 0.433 -2.999 7.718 1.00 0.00 C ATOM 711 NE ARG A 47 0.713 -1.883 8.618 1.00 0.00 N ATOM 712 CZ ARG A 47 1.448 -1.993 9.719 1.00 0.00 C ATOM 713 NH1 ARG A 47 1.974 -3.163 10.055 1.00 0.00 N ATOM 714 NH2 ARG A 47 1.658 -0.931 10.487 1.00 0.00 N ATOM 0 H ARG A 47 -1.723 -2.457 4.104 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.961 -0.415 5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.440 -1.981 4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.534 -0.881 6.306 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.534 -2.326 7.183 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.869 -3.528 6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.095 -3.857 8.299 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.352 -3.298 7.214 1.00 0.00 H new ATOM 0 HE ARG A 47 0.323 -0.969 8.388 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.815 -3.981 9.467 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.538 -3.245 10.901 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.255 -0.029 10.232 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.223 -1.016 11.332 1.00 0.00 H new ATOM 728 N TRP A 48 -0.145 0.426 3.331 1.00 0.00 N ATOM 729 CA TRP A 48 0.434 1.561 2.621 1.00 0.00 C ATOM 730 C TRP A 48 -0.648 2.546 2.195 1.00 0.00 C ATOM 731 O TRP A 48 -0.515 3.754 2.396 1.00 0.00 O ATOM 732 CB TRP A 48 1.213 1.078 1.396 1.00 0.00 C ATOM 733 CG TRP A 48 1.887 2.187 0.646 1.00 0.00 C ATOM 734 CD1 TRP A 48 3.209 2.526 0.698 1.00 0.00 C ATOM 735 CD2 TRP A 48 1.271 3.102 -0.266 1.00 0.00 C ATOM 736 NE1 TRP A 48 3.452 3.597 -0.128 1.00 0.00 N ATOM 737 CE2 TRP A 48 2.280 3.969 -0.731 1.00 0.00 C ATOM 738 CE3 TRP A 48 -0.033 3.273 -0.737 1.00 0.00 C ATOM 739 CZ2 TRP A 48 2.022 4.990 -1.642 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -0.287 4.287 -1.641 1.00 0.00 C ATOM 741 CH2 TRP A 48 0.736 5.134 -2.086 1.00 0.00 C ATOM 0 H TRP A 48 -0.079 -0.462 2.833 1.00 0.00 H new ATOM 0 HA TRP A 48 1.117 2.072 3.299 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.964 0.355 1.714 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.532 0.556 0.724 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.954 2.026 1.300 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.359 4.043 -0.269 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.828 2.624 -0.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.809 5.645 -1.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.292 4.429 -2.011 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.505 5.916 -2.794 1.00 0.00 H new ATOM 752 N PHE A 49 -1.718 2.025 1.605 1.00 0.00 N ATOM 753 CA PHE A 49 -2.823 2.860 1.149 1.00 0.00 C ATOM 754 C PHE A 49 -3.374 3.705 2.294 1.00 0.00 C ATOM 755 O PHE A 49 -3.363 4.935 2.233 1.00 0.00 O ATOM 756 CB PHE A 49 -3.937 1.993 0.559 1.00 0.00 C ATOM 757 CG PHE A 49 -3.768 1.718 -0.908 1.00 0.00 C ATOM 758 CD1 PHE A 49 -4.297 2.582 -1.854 1.00 0.00 C ATOM 759 CD2 PHE A 49 -3.081 0.596 -1.342 1.00 0.00 C ATOM 760 CE1 PHE A 49 -4.144 2.330 -3.204 1.00 0.00 C ATOM 761 CE2 PHE A 49 -2.925 0.339 -2.691 1.00 0.00 C ATOM 762 CZ PHE A 49 -3.456 1.208 -3.623 1.00 0.00 C ATOM 0 H PHE A 49 -1.844 1.028 1.431 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.445 3.529 0.376 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.973 1.045 1.097 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.895 2.487 0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.835 3.462 -1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.662 -0.086 -0.617 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.562 3.010 -3.931 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.388 -0.540 -3.016 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.334 1.011 -4.678 1.00 0.00 H new ATOM 772 N ARG A 50 -3.855 3.036 3.337 1.00 0.00 N ATOM 773 CA ARG A 50 -4.412 3.725 4.495 1.00 0.00 C ATOM 774 C ARG A 50 -3.453 4.797 5.003 1.00 0.00 C ATOM 775 O ARG A 50 -3.879 5.810 5.557 1.00 0.00 O ATOM 776 CB ARG A 50 -4.714 2.725 5.613 1.00 0.00 C ATOM 777 CG ARG A 50 -3.474 2.053 6.181 1.00 0.00 C ATOM 778 CD ARG A 50 -3.752 1.426 7.538 1.00 0.00 C ATOM 779 NE ARG A 50 -4.308 0.081 7.415 1.00 0.00 N ATOM 780 CZ ARG A 50 -4.955 -0.539 8.396 1.00 0.00 C ATOM 781 NH1 ARG A 50 -5.127 0.063 9.565 1.00 0.00 N ATOM 782 NH2 ARG A 50 -5.431 -1.763 8.208 1.00 0.00 N ATOM 0 H ARG A 50 -3.870 2.018 3.404 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.340 4.208 4.188 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.239 3.240 6.418 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.389 1.959 5.231 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.125 1.286 5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.673 2.786 6.275 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.828 1.385 8.115 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.447 2.056 8.093 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.193 -0.409 6.528 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.762 1.004 9.713 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.624 -0.415 10.317 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.300 -2.229 7.310 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.928 -2.238 8.962 1.00 0.00 H new ATOM 796 N GLN A 51 -2.159 4.566 4.810 1.00 0.00 N ATOM 797 CA GLN A 51 -1.140 5.512 5.250 1.00 0.00 C ATOM 798 C GLN A 51 -1.115 6.743 4.349 1.00 0.00 C ATOM 799 O GLN A 51 -1.029 7.873 4.828 1.00 0.00 O ATOM 800 CB GLN A 51 0.236 4.845 5.260 1.00 0.00 C ATOM 801 CG GLN A 51 0.541 4.101 6.550 1.00 0.00 C ATOM 802 CD GLN A 51 0.835 5.035 7.707 1.00 0.00 C ATOM 803 OE1 GLN A 51 1.934 5.580 7.817 1.00 0.00 O ATOM 804 NE2 GLN A 51 -0.149 5.226 8.579 1.00 0.00 N ATOM 0 H GLN A 51 -1.791 3.732 4.352 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.389 5.830 6.263 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.299 4.148 4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.000 5.605 5.099 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.306 3.466 6.807 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.396 3.444 6.392 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.044 4.754 8.449 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.009 5.844 9.378 1.00 0.00 H new ATOM 813 N ARG A 52 -1.190 6.514 3.042 1.00 0.00 N ATOM 814 CA ARG A 52 -1.174 7.604 2.074 1.00 0.00 C ATOM 815 C ARG A 52 -2.334 8.565 2.317 1.00 0.00 C ATOM 816 O ARG A 52 -2.129 9.758 2.542 1.00 0.00 O ATOM 817 CB ARG A 52 -1.246 7.051 0.649 1.00 0.00 C ATOM 818 CG ARG A 52 -0.891 8.072 -0.420 1.00 0.00 C ATOM 819 CD ARG A 52 0.597 8.059 -0.730 1.00 0.00 C ATOM 820 NE ARG A 52 1.356 8.901 0.191 1.00 0.00 N ATOM 821 CZ ARG A 52 2.543 9.422 -0.097 1.00 0.00 C ATOM 822 NH1 ARG A 52 3.105 9.189 -1.275 1.00 0.00 N ATOM 823 NH2 ARG A 52 3.172 10.178 0.794 1.00 0.00 N ATOM 0 H ARG A 52 -1.262 5.584 2.629 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.239 8.151 2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.571 6.199 0.564 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.253 6.679 0.463 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.455 7.860 -1.328 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.186 9.067 -0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.969 7.036 -0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.757 8.403 -1.752 1.00 0.00 H new ATOM 0 HE ARG A 52 0.952 9.100 1.106 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.625 8.608 -1.963 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.017 9.591 -1.493 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.744 10.360 1.702 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.084 10.577 0.571 1.00 0.00 H new ATOM 837 N ARG A 53 -3.553 8.037 2.269 1.00 0.00 N ATOM 838 CA ARG A 53 -4.745 8.847 2.483 1.00 0.00 C ATOM 839 C ARG A 53 -4.521 9.862 3.600 1.00 0.00 C ATOM 840 O ARG A 53 -4.947 11.012 3.502 1.00 0.00 O ATOM 841 CB ARG A 53 -5.940 7.954 2.823 1.00 0.00 C ATOM 842 CG ARG A 53 -6.695 7.455 1.602 1.00 0.00 C ATOM 843 CD ARG A 53 -7.805 8.414 1.202 1.00 0.00 C ATOM 844 NE ARG A 53 -7.304 9.527 0.400 1.00 0.00 N ATOM 845 CZ ARG A 53 -8.090 10.436 -0.168 1.00 0.00 C ATOM 846 NH1 ARG A 53 -9.405 10.363 -0.022 1.00 0.00 N ATOM 847 NH2 ARG A 53 -7.559 11.419 -0.883 1.00 0.00 N ATOM 0 H ARG A 53 -3.740 7.052 2.084 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.955 9.389 1.561 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.590 7.097 3.398 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.627 8.509 3.463 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.002 7.332 0.770 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.119 6.473 1.812 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.565 7.874 0.638 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.289 8.802 2.098 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.296 9.611 0.269 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.816 9.608 0.527 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.006 11.062 -0.459 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.547 11.478 -0.997 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.163 12.116 -1.319 1.00 0.00 H new ATOM 861 N ASN A 54 -3.848 9.427 4.660 1.00 0.00 N ATOM 862 CA ASN A 54 -3.567 10.298 5.797 1.00 0.00 C ATOM 863 C ASN A 54 -2.607 11.416 5.401 1.00 0.00 C ATOM 864 O ASN A 54 -2.850 12.586 5.693 1.00 0.00 O ATOM 865 CB ASN A 54 -2.976 9.488 6.952 1.00 0.00 C ATOM 866 CG ASN A 54 -3.175 10.165 8.294 1.00 0.00 C ATOM 867 OD1 ASN A 54 -3.075 11.387 8.407 1.00 0.00 O ATOM 868 ND2 ASN A 54 -3.459 9.372 9.321 1.00 0.00 N ATOM 0 H ASN A 54 -3.487 8.478 4.756 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.506 10.747 6.120 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.438 8.501 6.974 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.910 9.337 6.779 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.604 9.771 10.249 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.532 8.364 9.182 1.00 0.00 H new ATOM 875 N GLN A 55 -1.518 11.045 4.736 1.00 0.00 N ATOM 876 CA GLN A 55 -0.522 12.017 4.301 1.00 0.00 C ATOM 877 C GLN A 55 -1.135 13.033 3.342 1.00 0.00 C ATOM 878 O GLN A 55 -0.920 14.237 3.479 1.00 0.00 O ATOM 879 CB GLN A 55 0.654 11.308 3.627 1.00 0.00 C ATOM 880 CG GLN A 55 1.407 10.366 4.553 1.00 0.00 C ATOM 881 CD GLN A 55 2.042 11.086 5.726 1.00 0.00 C ATOM 882 OE1 GLN A 55 2.518 12.214 5.594 1.00 0.00 O ATOM 883 NE2 GLN A 55 2.051 10.436 6.885 1.00 0.00 N ATOM 0 H GLN A 55 -1.303 10.080 4.487 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.161 12.548 5.182 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.285 10.744 2.770 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.347 12.056 3.242 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.722 9.605 4.926 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.181 9.848 3.987 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.645 9.502 6.949 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.464 10.871 7.710 1.00 0.00 H new ATOM 892 N GLU A 56 -1.898 12.539 2.372 1.00 0.00 N ATOM 893 CA GLU A 56 -2.540 13.404 1.390 1.00 0.00 C ATOM 894 C GLU A 56 -4.056 13.399 1.569 1.00 0.00 C ATOM 895 O GLU A 56 -4.714 12.380 1.357 1.00 0.00 O ATOM 896 CB GLU A 56 -2.181 12.958 -0.029 1.00 0.00 C ATOM 897 CG GLU A 56 -2.669 11.559 -0.368 1.00 0.00 C ATOM 898 CD GLU A 56 -4.062 11.557 -0.967 1.00 0.00 C ATOM 899 OE1 GLU A 56 -4.424 12.548 -1.634 1.00 0.00 O ATOM 900 OE2 GLU A 56 -4.791 10.562 -0.767 1.00 0.00 O ATOM 0 H GLU A 56 -2.086 11.545 2.245 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.176 14.420 1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.606 13.665 -0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.098 12.996 -0.150 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.975 11.096 -1.070 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.665 10.948 0.535 1.00 0.00 H new ATOM 907 N LYS A 57 -4.603 14.544 1.961 1.00 0.00 N ATOM 908 CA LYS A 57 -6.041 14.674 2.168 1.00 0.00 C ATOM 909 C LYS A 57 -6.592 15.880 1.415 1.00 0.00 C ATOM 910 O LYS A 57 -5.959 16.933 1.332 1.00 0.00 O ATOM 911 CB LYS A 57 -6.352 14.805 3.661 1.00 0.00 C ATOM 912 CG LYS A 57 -7.817 15.076 3.956 1.00 0.00 C ATOM 913 CD LYS A 57 -8.006 15.679 5.338 1.00 0.00 C ATOM 914 CE LYS A 57 -8.086 14.602 6.409 1.00 0.00 C ATOM 915 NZ LYS A 57 -8.234 15.185 7.771 1.00 0.00 N ATOM 0 H LYS A 57 -4.072 15.396 2.142 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.522 13.776 1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.052 13.888 4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.751 15.612 4.079 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.221 15.754 3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.382 14.146 3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.178 16.353 5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.917 16.278 5.354 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.931 13.945 6.201 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.187 13.986 6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.285 14.419 8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.416 15.792 7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.105 15.752 7.813 1.00 0.00 H new ATOM 929 N PRO A 58 -7.801 15.727 0.855 1.00 0.00 N ATOM 930 CA PRO A 58 -8.465 16.794 0.100 1.00 0.00 C ATOM 931 C PRO A 58 -8.918 17.942 0.997 1.00 0.00 C ATOM 932 O PRO A 58 -8.810 17.866 2.221 1.00 0.00 O ATOM 933 CB PRO A 58 -9.675 16.091 -0.520 1.00 0.00 C ATOM 934 CG PRO A 58 -9.950 14.941 0.387 1.00 0.00 C ATOM 935 CD PRO A 58 -8.613 14.500 0.914 1.00 0.00 C ATOM 0 HA PRO A 58 -7.799 17.250 -0.632 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.533 16.760 -0.582 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.460 15.753 -1.534 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.612 15.236 1.201 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.445 14.131 -0.149 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.689 14.117 1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.184 13.704 0.305 1.00 0.00 H new ATOM 943 N SER A 59 -9.427 19.004 0.380 1.00 0.00 N ATOM 944 CA SER A 59 -9.893 20.169 1.122 1.00 0.00 C ATOM 945 C SER A 59 -10.684 19.746 2.356 1.00 0.00 C ATOM 946 O SER A 59 -10.341 20.105 3.481 1.00 0.00 O ATOM 947 CB SER A 59 -10.759 21.057 0.227 1.00 0.00 C ATOM 948 OG SER A 59 -11.326 22.126 0.964 1.00 0.00 O ATOM 0 H SER A 59 -9.527 19.081 -0.632 1.00 0.00 H new ATOM 0 HA SER A 59 -9.020 20.735 1.448 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.156 21.454 -0.590 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.552 20.461 -0.224 1.00 0.00 H new ATOM 0 HG SER A 59 -11.874 22.679 0.369 1.00 0.00 H new ATOM 954 N GLY A 60 -11.747 18.978 2.135 1.00 0.00 N ATOM 955 CA GLY A 60 -12.572 18.518 3.237 1.00 0.00 C ATOM 956 C GLY A 60 -14.030 18.896 3.068 1.00 0.00 C ATOM 957 O GLY A 60 -14.891 18.047 2.836 1.00 0.00 O ATOM 0 H GLY A 60 -12.051 18.666 1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.488 17.435 3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.196 18.940 4.169 1.00 0.00 H new ATOM 961 N PRO A 61 -14.325 20.199 3.186 1.00 0.00 N ATOM 962 CA PRO A 61 -15.689 20.717 3.049 1.00 0.00 C ATOM 963 C PRO A 61 -16.201 20.630 1.615 1.00 0.00 C ATOM 964 O PRO A 61 -17.347 20.980 1.333 1.00 0.00 O ATOM 965 CB PRO A 61 -15.559 22.180 3.482 1.00 0.00 C ATOM 966 CG PRO A 61 -14.134 22.527 3.219 1.00 0.00 C ATOM 967 CD PRO A 61 -13.349 21.267 3.461 1.00 0.00 C ATOM 0 HA PRO A 61 -16.403 20.145 3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -16.234 22.822 2.916 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -15.809 22.305 4.536 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.001 22.879 2.196 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.799 23.328 3.878 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.484 21.200 2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.975 21.216 4.484 1.00 0.00 H new ATOM 975 N SER A 62 -15.345 20.162 0.713 1.00 0.00 N ATOM 976 CA SER A 62 -15.710 20.032 -0.693 1.00 0.00 C ATOM 977 C SER A 62 -17.100 19.420 -0.839 1.00 0.00 C ATOM 978 O SER A 62 -17.955 19.954 -1.545 1.00 0.00 O ATOM 979 CB SER A 62 -14.682 19.173 -1.432 1.00 0.00 C ATOM 980 OG SER A 62 -14.690 17.840 -0.951 1.00 0.00 O ATOM 0 H SER A 62 -14.393 19.866 0.931 1.00 0.00 H new ATOM 0 HA SER A 62 -15.723 21.029 -1.133 1.00 0.00 H new ATOM 0 HB2 SER A 62 -14.899 19.179 -2.500 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.688 19.602 -1.307 1.00 0.00 H new ATOM 0 HG SER A 62 -14.026 17.312 -1.441 1.00 0.00 H new ATOM 986 N SER A 63 -17.317 18.294 -0.166 1.00 0.00 N ATOM 987 CA SER A 63 -18.601 17.605 -0.223 1.00 0.00 C ATOM 988 C SER A 63 -19.669 18.381 0.543 1.00 0.00 C ATOM 989 O SER A 63 -19.473 18.751 1.700 1.00 0.00 O ATOM 990 CB SER A 63 -18.472 16.193 0.350 1.00 0.00 C ATOM 991 OG SER A 63 -18.112 16.229 1.720 1.00 0.00 O ATOM 0 H SER A 63 -16.620 17.840 0.425 1.00 0.00 H new ATOM 0 HA SER A 63 -18.904 17.539 -1.268 1.00 0.00 H new ATOM 0 HB2 SER A 63 -19.417 15.662 0.233 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.722 15.636 -0.212 1.00 0.00 H new ATOM 0 HG SER A 63 -18.402 17.079 2.112 1.00 0.00 H new ATOM 997 N GLY A 64 -20.799 18.625 -0.113 1.00 0.00 N ATOM 998 CA GLY A 64 -21.881 19.356 0.521 1.00 0.00 C ATOM 999 C GLY A 64 -21.957 20.797 0.057 1.00 0.00 C ATOM 1000 O GLY A 64 -20.936 21.475 -0.055 1.00 0.00 O ATOM 0 H GLY A 64 -20.985 18.330 -1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -22.827 18.858 0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -21.747 19.332 1.602 1.00 0.00 H new TER 1004 GLY A 64