USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 406 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 ASN : amide:sc= 0.71 K(o=1.5,f=-2.3) USER MOD Set 1.2: A 47 LYS NZ :NH3+ -172:sc= 0.829 (180deg=0) USER MOD Set 2.1: A 43 SER OG : rot -108:sc= 0.558 USER MOD Set 2.2: A 45 SER OG : rot 180:sc= 0.503 USER MOD Set 3.1: A 2 SER OG : rot -149:sc= 0.32 USER MOD Set 3.2: A 7 GLN : amide:sc= 0.158 K(o=0.48,f=-0.081) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.121 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -0:sc= 0.462 USER MOD Single : A 9 LYS NZ :NH3+ 175:sc= 0.777 (180deg=0.759) USER MOD Single : A 14 TYR OH : rot 7:sc= 1.24 USER MOD Single : A 16 ASN : amide:sc= -0.57 K(o=-0.57,f=-4.7!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.142 USER MOD Single : A 24 TYR OH : rot 30:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0611 X(o=-0.061,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.590 -6.629 -2.930 1.00 25.00 N ATOM 2 CA GLY A 1 -4.084 -5.741 -4.015 1.00 25.00 C ATOM 3 C GLY A 1 -2.999 -4.822 -4.509 1.00 25.00 C ATOM 4 O GLY A 1 -1.859 -4.995 -4.115 1.00 25.00 O ATOM 0 H1 GLY A 1 -3.737 -7.622 -3.200 1.00 25.00 H new ATOM 0 H2 GLY A 1 -2.576 -6.458 -2.777 1.00 25.00 H new ATOM 0 H3 GLY A 1 -4.111 -6.428 -2.053 1.00 25.00 H new ATOM 0 HA2 GLY A 1 -4.455 -6.346 -4.842 1.00 25.00 H new ATOM 0 HA3 GLY A 1 -4.925 -5.151 -3.650 1.00 25.00 H new ATOM 10 N SER A 2 -3.338 -3.845 -5.339 1.00 25.00 N ATOM 11 CA SER A 2 -2.366 -2.873 -5.848 1.00 25.00 C ATOM 12 C SER A 2 -3.058 -1.520 -5.806 1.00 25.00 C ATOM 13 O SER A 2 -4.260 -1.451 -6.046 1.00 25.00 O ATOM 14 CB SER A 2 -1.974 -3.199 -7.296 1.00 25.00 C ATOM 15 OG SER A 2 -1.150 -2.176 -7.842 1.00 25.00 O ATOM 0 H SER A 2 -4.288 -3.700 -5.680 1.00 25.00 H new ATOM 0 HA SER A 2 -1.456 -2.888 -5.249 1.00 25.00 H new ATOM 0 HB2 SER A 2 -1.446 -4.152 -7.328 1.00 25.00 H new ATOM 0 HB3 SER A 2 -2.872 -3.311 -7.904 1.00 25.00 H new ATOM 0 HG SER A 2 -1.309 -2.108 -8.807 1.00 25.00 H new ATOM 21 N PRO A 3 -2.329 -0.434 -5.485 1.00 25.00 N ATOM 22 CA PRO A 3 -3.022 0.860 -5.442 1.00 25.00 C ATOM 23 C PRO A 3 -3.319 1.454 -6.820 1.00 25.00 C ATOM 24 O PRO A 3 -4.077 2.407 -6.922 1.00 25.00 O ATOM 25 CB PRO A 3 -2.029 1.743 -4.682 1.00 25.00 C ATOM 26 CG PRO A 3 -0.702 1.207 -5.073 1.00 25.00 C ATOM 27 CD PRO A 3 -0.903 -0.292 -5.117 1.00 25.00 C ATOM 0 HA PRO A 3 -4.006 0.771 -4.981 1.00 25.00 H new ATOM 0 HB2 PRO A 3 -2.134 2.792 -4.959 1.00 25.00 H new ATOM 0 HB3 PRO A 3 -2.183 1.681 -3.605 1.00 25.00 H new ATOM 0 HG2 PRO A 3 -0.386 1.595 -6.041 1.00 25.00 H new ATOM 0 HG3 PRO A 3 0.067 1.484 -4.352 1.00 25.00 H new ATOM 0 HD2 PRO A 3 -0.249 -0.764 -5.851 1.00 25.00 H new ATOM 0 HD3 PRO A 3 -0.688 -0.755 -4.154 1.00 25.00 H new ATOM 35 N THR A 4 -2.682 0.914 -7.861 1.00 25.00 N ATOM 36 CA THR A 4 -2.808 1.398 -9.256 1.00 25.00 C ATOM 37 C THR A 4 -2.655 2.925 -9.410 1.00 25.00 C ATOM 38 O THR A 4 -3.166 3.529 -10.339 1.00 25.00 O ATOM 39 CB THR A 4 -4.146 0.925 -9.907 1.00 25.00 C ATOM 40 OG1 THR A 4 -5.265 1.413 -9.162 1.00 25.00 O ATOM 41 CG2 THR A 4 -4.232 -0.596 -9.926 1.00 25.00 C ATOM 0 H THR A 4 -2.053 0.117 -7.768 1.00 25.00 H new ATOM 0 HA THR A 4 -1.968 0.948 -9.786 1.00 25.00 H new ATOM 0 HB THR A 4 -4.166 1.315 -10.925 1.00 25.00 H new ATOM 0 HG1 THR A 4 -4.946 1.939 -8.399 1.00 25.00 H new ATOM 0 HG21 THR A 4 -5.173 -0.902 -10.384 1.00 25.00 H new ATOM 0 HG22 THR A 4 -3.400 -1.000 -10.502 1.00 25.00 H new ATOM 0 HG23 THR A 4 -4.185 -0.976 -8.905 1.00 25.00 H new ATOM 49 N PHE A 5 -1.932 3.535 -8.482 1.00 25.00 N ATOM 50 CA PHE A 5 -1.821 4.990 -8.411 1.00 25.00 C ATOM 51 C PHE A 5 -1.127 5.618 -9.616 1.00 25.00 C ATOM 52 O PHE A 5 -1.587 6.620 -10.137 1.00 25.00 O ATOM 53 CB PHE A 5 -1.063 5.347 -7.137 1.00 25.00 C ATOM 54 CG PHE A 5 -1.047 6.816 -6.822 1.00 25.00 C ATOM 55 CD1 PHE A 5 0.031 7.625 -7.231 1.00 25.00 C ATOM 56 CD2 PHE A 5 -2.088 7.395 -6.075 1.00 25.00 C ATOM 57 CE1 PHE A 5 0.100 8.985 -6.859 1.00 25.00 C ATOM 58 CE2 PHE A 5 -2.050 8.765 -5.728 1.00 25.00 C ATOM 59 CZ PHE A 5 -0.950 9.555 -6.115 1.00 25.00 C ATOM 0 H PHE A 5 -1.408 3.041 -7.760 1.00 25.00 H new ATOM 0 HA PHE A 5 -2.833 5.395 -8.408 1.00 25.00 H new ATOM 0 HB2 PHE A 5 -1.510 4.812 -6.299 1.00 25.00 H new ATOM 0 HB3 PHE A 5 -0.035 4.995 -7.228 1.00 25.00 H new ATOM 0 HD1 PHE A 5 0.816 7.199 -7.838 1.00 25.00 H new ATOM 0 HD2 PHE A 5 -2.925 6.787 -5.763 1.00 25.00 H new ATOM 0 HE1 PHE A 5 0.953 9.584 -7.143 1.00 25.00 H new ATOM 0 HE2 PHE A 5 -2.862 9.205 -5.168 1.00 25.00 H new ATOM 0 HZ PHE A 5 -0.912 10.599 -5.841 1.00 25.00 H new ATOM 69 N CYS A 6 -0.012 5.034 -10.034 1.00 25.00 N ATOM 70 CA CYS A 6 0.750 5.529 -11.188 1.00 25.00 C ATOM 71 C CYS A 6 0.704 4.554 -12.365 1.00 25.00 C ATOM 72 O CYS A 6 1.217 4.826 -13.443 1.00 25.00 O ATOM 73 CB CYS A 6 2.202 5.751 -10.777 1.00 25.00 C ATOM 74 SG CYS A 6 2.701 7.484 -10.947 1.00 25.00 S ATOM 0 H CYS A 6 0.393 4.209 -9.591 1.00 25.00 H new ATOM 0 HA CYS A 6 0.295 6.465 -11.510 1.00 25.00 H new ATOM 0 HB2 CYS A 6 2.338 5.435 -9.743 1.00 25.00 H new ATOM 0 HB3 CYS A 6 2.851 5.125 -11.389 1.00 25.00 H new ATOM 79 N GLN A 7 0.138 3.384 -12.130 1.00 25.00 N ATOM 80 CA GLN A 7 0.130 2.332 -13.110 1.00 25.00 C ATOM 81 C GLN A 7 -0.809 2.698 -14.254 1.00 25.00 C ATOM 82 O GLN A 7 -1.978 2.985 -14.034 1.00 25.00 O ATOM 83 CB GLN A 7 -0.298 1.070 -12.406 1.00 25.00 C ATOM 84 CG GLN A 7 0.859 0.375 -11.670 1.00 25.00 C ATOM 85 CD GLN A 7 0.404 -0.484 -10.499 1.00 25.00 C ATOM 86 OE1 GLN A 7 -0.690 -1.020 -10.481 1.00 25.00 O ATOM 87 NE2 GLN A 7 1.244 -0.591 -9.502 1.00 25.00 N ATOM 0 H GLN A 7 -0.326 3.144 -11.254 1.00 25.00 H new ATOM 0 HA GLN A 7 1.116 2.184 -13.549 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -1.086 1.308 -11.691 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -0.725 0.381 -13.134 1.00 25.00 H new ATOM 0 HG2 GLN A 7 1.406 -0.249 -12.377 1.00 25.00 H new ATOM 0 HG3 GLN A 7 1.555 1.131 -11.307 1.00 25.00 H new ATOM 0 HE21 GLN A 7 2.152 -0.130 -9.549 1.00 25.00 H new ATOM 0 HE22 GLN A 7 0.991 -1.136 -8.678 1.00 25.00 H new ATOM 96 N GLY A 8 -0.270 2.729 -15.467 1.00 25.00 N ATOM 97 CA GLY A 8 -1.059 3.100 -16.633 1.00 25.00 C ATOM 98 C GLY A 8 -1.225 4.602 -16.785 1.00 25.00 C ATOM 99 O GLY A 8 -2.141 5.058 -17.463 1.00 25.00 O ATOM 0 H GLY A 8 0.704 2.503 -15.667 1.00 25.00 H new ATOM 0 HA2 GLY A 8 -0.583 2.700 -17.529 1.00 25.00 H new ATOM 0 HA3 GLY A 8 -2.043 2.637 -16.561 1.00 25.00 H new ATOM 103 N LYS A 9 -0.353 5.376 -16.149 1.00 25.00 N ATOM 104 CA LYS A 9 -0.432 6.839 -16.200 1.00 25.00 C ATOM 105 C LYS A 9 0.825 7.433 -16.808 1.00 25.00 C ATOM 106 O LYS A 9 1.898 6.848 -16.721 1.00 25.00 O ATOM 107 CB LYS A 9 -0.682 7.386 -14.815 1.00 25.00 C ATOM 108 CG LYS A 9 -2.076 7.046 -14.368 1.00 25.00 C ATOM 109 CD LYS A 9 -2.385 7.772 -13.137 1.00 25.00 C ATOM 110 CE LYS A 9 -3.672 7.248 -12.517 1.00 25.00 C ATOM 111 NZ LYS A 9 -3.924 7.892 -11.193 1.00 25.00 N ATOM 0 H LYS A 9 0.421 5.017 -15.589 1.00 25.00 H new ATOM 0 HA LYS A 9 -1.266 7.123 -16.842 1.00 25.00 H new ATOM 0 HB2 LYS A 9 0.044 6.971 -14.115 1.00 25.00 H new ATOM 0 HB3 LYS A 9 -0.545 8.467 -14.813 1.00 25.00 H new ATOM 0 HG2 LYS A 9 -2.793 7.308 -15.146 1.00 25.00 H new ATOM 0 HG3 LYS A 9 -2.164 5.972 -14.201 1.00 25.00 H new ATOM 0 HD2 LYS A 9 -1.563 7.665 -12.429 1.00 25.00 H new ATOM 0 HD3 LYS A 9 -2.485 8.836 -13.351 1.00 25.00 H new ATOM 0 HE2 LYS A 9 -4.509 7.444 -13.187 1.00 25.00 H new ATOM 0 HE3 LYS A 9 -3.608 6.167 -12.394 1.00 25.00 H new ATOM 0 HZ1 LYS A 9 -4.848 7.584 -10.827 1.00 25.00 H new ATOM 0 HZ2 LYS A 9 -3.177 7.615 -10.524 1.00 25.00 H new ATOM 0 HZ3 LYS A 9 -3.923 8.926 -11.304 1.00 25.00 H new ATOM 125 N ALA A 10 0.661 8.575 -17.462 1.00 25.00 N ATOM 126 CA ALA A 10 1.769 9.252 -18.122 1.00 25.00 C ATOM 127 C ALA A 10 2.721 9.843 -17.084 1.00 25.00 C ATOM 128 O ALA A 10 2.310 10.187 -15.970 1.00 25.00 O ATOM 129 CB ALA A 10 1.228 10.362 -19.038 1.00 25.00 C ATOM 0 H ALA A 10 -0.235 9.055 -17.550 1.00 25.00 H new ATOM 0 HA ALA A 10 2.318 8.529 -18.725 1.00 25.00 H new ATOM 0 HB1 ALA A 10 2.060 10.866 -19.530 1.00 25.00 H new ATOM 0 HB2 ALA A 10 0.572 9.925 -19.791 1.00 25.00 H new ATOM 0 HB3 ALA A 10 0.667 11.083 -18.443 1.00 25.00 H new ATOM 135 N ASP A 11 3.976 9.983 -17.473 1.00 25.00 N ATOM 136 CA ASP A 11 4.996 10.557 -16.604 1.00 25.00 C ATOM 137 C ASP A 11 4.755 12.057 -16.419 1.00 25.00 C ATOM 138 O ASP A 11 4.224 12.726 -17.307 1.00 25.00 O ATOM 139 CB ASP A 11 6.392 10.299 -17.179 1.00 25.00 C ATOM 140 CG ASP A 11 6.854 8.852 -16.979 1.00 25.00 C ATOM 141 OD1 ASP A 11 7.979 8.529 -17.414 1.00 25.00 O ATOM 142 OD2 ASP A 11 6.122 8.038 -16.358 1.00 25.00 O ATOM 0 H ASP A 11 4.318 9.705 -18.393 1.00 25.00 H new ATOM 0 HA ASP A 11 4.934 10.077 -15.627 1.00 25.00 H new ATOM 0 HB2 ASP A 11 6.391 10.532 -18.244 1.00 25.00 H new ATOM 0 HB3 ASP A 11 7.106 10.973 -16.706 1.00 25.00 H new ATOM 147 N GLY A 12 5.122 12.570 -15.251 1.00 25.00 N ATOM 148 CA GLY A 12 4.892 13.971 -14.918 1.00 25.00 C ATOM 149 C GLY A 12 4.606 14.110 -13.435 1.00 25.00 C ATOM 150 O GLY A 12 4.622 13.103 -12.722 1.00 25.00 O ATOM 0 H GLY A 12 5.582 12.034 -14.515 1.00 25.00 H new ATOM 0 HA2 GLY A 12 5.766 14.565 -15.186 1.00 25.00 H new ATOM 0 HA3 GLY A 12 4.053 14.358 -15.497 1.00 25.00 H new ATOM 154 N LEU A 13 4.359 15.324 -12.952 1.00 25.00 N ATOM 155 CA LEU A 13 4.064 15.531 -11.528 1.00 25.00 C ATOM 156 C LEU A 13 2.561 15.645 -11.289 1.00 25.00 C ATOM 157 O LEU A 13 1.831 16.213 -12.094 1.00 25.00 O ATOM 158 CB LEU A 13 4.753 16.792 -10.991 1.00 25.00 C ATOM 159 CG LEU A 13 6.291 16.847 -11.009 1.00 25.00 C ATOM 160 CD1 LEU A 13 6.749 18.097 -10.269 1.00 25.00 C ATOM 161 CD2 LEU A 13 6.933 15.633 -10.360 1.00 25.00 C ATOM 0 H LEU A 13 4.356 16.175 -13.515 1.00 25.00 H new ATOM 0 HA LEU A 13 4.449 14.661 -10.996 1.00 25.00 H new ATOM 0 HB2 LEU A 13 4.383 17.642 -11.564 1.00 25.00 H new ATOM 0 HB3 LEU A 13 4.427 16.936 -9.961 1.00 25.00 H new ATOM 0 HG LEU A 13 6.603 16.863 -12.053 1.00 25.00 H new ATOM 0 HD11 LEU A 13 7.838 18.145 -10.276 1.00 25.00 H new ATOM 0 HD12 LEU A 13 6.343 18.981 -10.762 1.00 25.00 H new ATOM 0 HD13 LEU A 13 6.394 18.061 -9.239 1.00 25.00 H new ATOM 0 HD21 LEU A 13 8.018 15.729 -10.403 1.00 25.00 H new ATOM 0 HD22 LEU A 13 6.615 15.566 -9.319 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.627 14.732 -10.891 1.00 25.00 H new ATOM 173 N TYR A 14 2.105 15.115 -10.167 1.00 25.00 N ATOM 174 CA TYR A 14 0.683 15.108 -9.827 1.00 25.00 C ATOM 175 C TYR A 14 0.480 15.737 -8.441 1.00 25.00 C ATOM 176 O TYR A 14 1.371 15.665 -7.583 1.00 25.00 O ATOM 177 CB TYR A 14 0.151 13.668 -9.870 1.00 25.00 C ATOM 178 CG TYR A 14 0.098 13.083 -11.257 1.00 25.00 C ATOM 179 CD1 TYR A 14 1.220 12.451 -11.791 1.00 25.00 C ATOM 180 CD2 TYR A 14 -1.077 13.146 -12.039 1.00 25.00 C ATOM 181 CE1 TYR A 14 1.201 11.889 -13.098 1.00 25.00 C ATOM 182 CE2 TYR A 14 -1.111 12.574 -13.346 1.00 25.00 C ATOM 183 CZ TYR A 14 0.033 11.951 -13.861 1.00 25.00 C ATOM 184 OH TYR A 14 0.000 11.396 -15.115 1.00 25.00 O ATOM 0 H TYR A 14 2.703 14.678 -9.466 1.00 25.00 H new ATOM 0 HA TYR A 14 0.125 15.699 -10.553 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.782 13.038 -9.243 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -0.849 13.647 -9.438 1.00 25.00 H new ATOM 0 HD1 TYR A 14 2.122 12.387 -11.201 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -1.957 13.631 -11.644 1.00 25.00 H new ATOM 0 HE1 TYR A 14 2.086 11.417 -13.498 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -2.015 12.621 -13.935 1.00 25.00 H new ATOM 0 HH TYR A 14 0.833 10.906 -15.278 1.00 25.00 H new ATOM 194 N PRO A 15 -0.670 16.407 -8.217 1.00 25.00 N ATOM 195 CA PRO A 15 -0.842 17.110 -6.938 1.00 25.00 C ATOM 196 C PRO A 15 -1.044 16.208 -5.720 1.00 25.00 C ATOM 197 O PRO A 15 -1.606 15.121 -5.805 1.00 25.00 O ATOM 198 CB PRO A 15 -2.085 17.967 -7.189 1.00 25.00 C ATOM 199 CG PRO A 15 -2.871 17.185 -8.166 1.00 25.00 C ATOM 200 CD PRO A 15 -1.835 16.618 -9.100 1.00 25.00 C ATOM 0 HA PRO A 15 0.060 17.664 -6.679 1.00 25.00 H new ATOM 0 HB2 PRO A 15 -2.646 18.135 -6.269 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -1.820 18.948 -7.584 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -3.442 16.396 -7.678 1.00 25.00 H new ATOM 0 HG3 PRO A 15 -3.586 17.814 -8.697 1.00 25.00 H new ATOM 0 HD2 PRO A 15 -2.170 15.686 -9.556 1.00 25.00 H new ATOM 0 HD3 PRO A 15 -1.605 17.306 -9.913 1.00 25.00 H new ATOM 208 N ASN A 16 -0.569 16.703 -4.588 1.00 25.00 N ATOM 209 CA ASN A 16 -0.641 16.016 -3.297 1.00 25.00 C ATOM 210 C ASN A 16 -2.009 16.272 -2.627 1.00 25.00 C ATOM 211 O ASN A 16 -2.668 17.269 -2.938 1.00 25.00 O ATOM 212 CB ASN A 16 0.496 16.528 -2.398 1.00 25.00 C ATOM 213 CG ASN A 16 0.271 17.947 -1.920 1.00 25.00 C ATOM 214 OD1 ASN A 16 -0.687 18.233 -1.238 1.00 25.00 O ATOM 215 ND2 ASN A 16 1.157 18.829 -2.267 1.00 25.00 N ATOM 0 H ASN A 16 -0.112 17.613 -4.534 1.00 25.00 H new ATOM 0 HA ASN A 16 -0.534 14.942 -3.449 1.00 25.00 H new ATOM 0 HB2 ASN A 16 0.595 15.870 -1.535 1.00 25.00 H new ATOM 0 HB3 ASN A 16 1.437 16.479 -2.946 1.00 25.00 H new ATOM 0 HD21 ASN A 16 1.058 19.798 -1.964 1.00 25.00 H new ATOM 0 HD22 ASN A 16 1.953 18.553 -2.843 1.00 25.00 H new ATOM 222 N PRO A 17 -2.472 15.367 -1.740 1.00 25.00 N ATOM 223 CA PRO A 17 -3.737 15.654 -1.051 1.00 25.00 C ATOM 224 C PRO A 17 -3.644 16.597 0.171 1.00 25.00 C ATOM 225 O PRO A 17 -4.664 17.117 0.624 1.00 25.00 O ATOM 226 CB PRO A 17 -4.162 14.269 -0.567 1.00 25.00 C ATOM 227 CG PRO A 17 -2.870 13.612 -0.229 1.00 25.00 C ATOM 228 CD PRO A 17 -1.920 14.064 -1.311 1.00 25.00 C ATOM 0 HA PRO A 17 -4.417 16.174 -1.725 1.00 25.00 H new ATOM 0 HB2 PRO A 17 -4.821 14.330 0.299 1.00 25.00 H new ATOM 0 HB3 PRO A 17 -4.702 13.721 -1.339 1.00 25.00 H new ATOM 0 HG2 PRO A 17 -2.519 13.912 0.758 1.00 25.00 H new ATOM 0 HG3 PRO A 17 -2.969 12.527 -0.216 1.00 25.00 H new ATOM 0 HD2 PRO A 17 -0.902 14.165 -0.934 1.00 25.00 H new ATOM 0 HD3 PRO A 17 -1.885 13.353 -2.136 1.00 25.00 H new ATOM 236 N ARG A 18 -2.461 16.734 0.772 1.00 25.00 N ATOM 237 CA ARG A 18 -2.327 17.436 2.066 1.00 25.00 C ATOM 238 C ARG A 18 -1.044 18.257 2.236 1.00 25.00 C ATOM 239 O ARG A 18 -1.005 19.228 2.994 1.00 25.00 O ATOM 240 CB ARG A 18 -2.367 16.366 3.167 1.00 25.00 C ATOM 241 CG ARG A 18 -3.280 16.679 4.340 1.00 25.00 C ATOM 242 CD ARG A 18 -2.596 17.576 5.359 1.00 25.00 C ATOM 243 NE ARG A 18 -3.405 17.713 6.582 1.00 25.00 N ATOM 244 CZ ARG A 18 -3.046 18.399 7.662 1.00 25.00 C ATOM 245 NH1 ARG A 18 -3.849 18.436 8.690 1.00 25.00 N ATOM 246 NH2 ARG A 18 -1.903 19.038 7.737 1.00 25.00 N ATOM 0 H ARG A 18 -1.584 16.375 0.394 1.00 25.00 H new ATOM 0 HA ARG A 18 -3.143 18.156 2.120 1.00 25.00 H new ATOM 0 HB2 ARG A 18 -2.683 15.422 2.723 1.00 25.00 H new ATOM 0 HB3 ARG A 18 -1.355 16.218 3.544 1.00 25.00 H new ATOM 0 HG2 ARG A 18 -4.186 17.165 3.977 1.00 25.00 H new ATOM 0 HG3 ARG A 18 -3.587 15.750 4.820 1.00 25.00 H new ATOM 0 HD2 ARG A 18 -1.619 17.164 5.611 1.00 25.00 H new ATOM 0 HD3 ARG A 18 -2.424 18.560 4.923 1.00 25.00 H new ATOM 0 HE ARG A 18 -4.311 17.245 6.602 1.00 25.00 H new ATOM 0 HH11 ARG A 18 -4.741 17.942 8.659 1.00 25.00 H new ATOM 0 HH12 ARG A 18 -3.585 18.959 9.525 1.00 25.00 H new ATOM 0 HH21 ARG A 18 -1.255 19.019 6.949 1.00 25.00 H new ATOM 0 HH22 ARG A 18 -1.662 19.554 8.583 1.00 25.00 H new ATOM 260 N GLU A 19 0.005 17.810 1.581 1.00 25.00 N ATOM 261 CA GLU A 19 1.348 18.373 1.688 1.00 25.00 C ATOM 262 C GLU A 19 1.480 19.715 0.949 1.00 25.00 C ATOM 263 O GLU A 19 0.523 20.219 0.373 1.00 25.00 O ATOM 264 CB GLU A 19 2.339 17.364 1.106 1.00 25.00 C ATOM 265 CG GLU A 19 2.433 16.033 1.883 1.00 25.00 C ATOM 266 CD GLU A 19 1.141 15.202 1.842 1.00 25.00 C ATOM 267 OE1 GLU A 19 0.734 14.703 2.907 1.00 25.00 O ATOM 268 OE2 GLU A 19 0.466 15.167 0.783 1.00 25.00 O ATOM 0 H GLU A 19 -0.047 17.020 0.937 1.00 25.00 H new ATOM 0 HA GLU A 19 1.557 18.567 2.740 1.00 25.00 H new ATOM 0 HB2 GLU A 19 2.055 17.149 0.076 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.328 17.822 1.075 1.00 25.00 H new ATOM 0 HG2 GLU A 19 3.250 15.439 1.472 1.00 25.00 H new ATOM 0 HG3 GLU A 19 2.685 16.246 2.922 1.00 25.00 H new ATOM 275 N ARG A 20 2.671 20.300 0.957 1.00 25.00 N ATOM 276 CA ARG A 20 2.911 21.559 0.225 1.00 25.00 C ATOM 277 C ARG A 20 4.212 21.511 -0.555 1.00 25.00 C ATOM 278 O ARG A 20 4.227 21.701 -1.759 1.00 25.00 O ATOM 279 CB ARG A 20 2.939 22.754 1.193 1.00 25.00 C ATOM 280 CG ARG A 20 1.614 23.018 1.911 1.00 25.00 C ATOM 281 CD ARG A 20 0.522 23.481 0.934 1.00 25.00 C ATOM 282 NE ARG A 20 -0.760 23.755 1.610 1.00 25.00 N ATOM 283 CZ ARG A 20 -1.775 22.899 1.719 1.00 25.00 C ATOM 284 NH1 ARG A 20 -1.741 21.684 1.237 1.00 25.00 N ATOM 285 NH2 ARG A 20 -2.862 23.286 2.326 1.00 25.00 N ATOM 0 H ARG A 20 3.484 19.936 1.453 1.00 25.00 H new ATOM 0 HA ARG A 20 2.089 21.683 -0.480 1.00 25.00 H new ATOM 0 HB2 ARG A 20 3.715 22.583 1.939 1.00 25.00 H new ATOM 0 HB3 ARG A 20 3.222 23.649 0.638 1.00 25.00 H new ATOM 0 HG2 ARG A 20 1.288 22.110 2.418 1.00 25.00 H new ATOM 0 HG3 ARG A 20 1.761 23.777 2.679 1.00 25.00 H new ATOM 0 HD2 ARG A 20 0.857 24.381 0.419 1.00 25.00 H new ATOM 0 HD3 ARG A 20 0.372 22.716 0.173 1.00 25.00 H new ATOM 0 HE ARG A 20 -0.879 24.677 2.029 1.00 25.00 H new ATOM 0 HH11 ARG A 20 -0.909 21.352 0.750 1.00 25.00 H new ATOM 0 HH12 ARG A 20 -2.547 21.069 1.348 1.00 25.00 H new ATOM 0 HH21 ARG A 20 -2.925 24.230 2.708 1.00 25.00 H new ATOM 0 HH22 ARG A 20 -3.650 22.645 2.419 1.00 25.00 H new ATOM 299 N SER A 21 5.297 21.238 0.147 1.00 25.00 N ATOM 300 CA SER A 21 6.626 21.187 -0.464 1.00 25.00 C ATOM 301 C SER A 21 6.904 19.876 -1.194 1.00 25.00 C ATOM 302 O SER A 21 7.971 19.707 -1.780 1.00 25.00 O ATOM 303 CB SER A 21 7.679 21.376 0.623 1.00 25.00 C ATOM 304 OG SER A 21 7.240 22.348 1.559 1.00 25.00 O ATOM 0 H SER A 21 5.290 21.046 1.149 1.00 25.00 H new ATOM 0 HA SER A 21 6.666 21.984 -1.206 1.00 25.00 H new ATOM 0 HB2 SER A 21 7.865 20.429 1.130 1.00 25.00 H new ATOM 0 HB3 SER A 21 8.623 21.689 0.176 1.00 25.00 H new ATOM 0 HG SER A 21 7.920 22.463 2.255 1.00 25.00 H new ATOM 310 N SER A 22 5.956 18.948 -1.135 1.00 25.00 N ATOM 311 CA SER A 22 6.106 17.637 -1.754 1.00 25.00 C ATOM 312 C SER A 22 4.885 17.304 -2.603 1.00 25.00 C ATOM 313 O SER A 22 3.814 17.878 -2.424 1.00 25.00 O ATOM 314 CB SER A 22 6.328 16.573 -0.683 1.00 25.00 C ATOM 315 OG SER A 22 5.341 16.656 0.320 1.00 25.00 O ATOM 0 H SER A 22 5.064 19.083 -0.658 1.00 25.00 H new ATOM 0 HA SER A 22 6.978 17.656 -2.408 1.00 25.00 H new ATOM 0 HB2 SER A 22 6.307 15.583 -1.138 1.00 25.00 H new ATOM 0 HB3 SER A 22 7.315 16.699 -0.239 1.00 25.00 H new ATOM 0 HG SER A 22 5.502 15.964 0.995 1.00 25.00 H new ATOM 321 N PHE A 23 5.094 16.449 -3.592 1.00 25.00 N ATOM 322 CA PHE A 23 4.117 16.157 -4.644 1.00 25.00 C ATOM 323 C PHE A 23 4.308 14.709 -5.086 1.00 25.00 C ATOM 324 O PHE A 23 5.199 14.022 -4.588 1.00 25.00 O ATOM 325 CB PHE A 23 4.315 17.108 -5.823 1.00 25.00 C ATOM 326 CG PHE A 23 5.382 18.119 -5.599 1.00 25.00 C ATOM 327 CD1 PHE A 23 5.121 19.341 -4.946 1.00 25.00 C ATOM 328 CD2 PHE A 23 6.662 17.830 -6.016 1.00 25.00 C ATOM 329 CE1 PHE A 23 6.166 20.259 -4.705 1.00 25.00 C ATOM 330 CE2 PHE A 23 7.734 18.741 -5.790 1.00 25.00 C ATOM 331 CZ PHE A 23 7.471 19.954 -5.131 1.00 25.00 C ATOM 0 H PHE A 23 5.963 15.925 -3.693 1.00 25.00 H new ATOM 0 HA PHE A 23 3.104 16.297 -4.267 1.00 25.00 H new ATOM 0 HB2 PHE A 23 4.558 16.526 -6.712 1.00 25.00 H new ATOM 0 HB3 PHE A 23 3.376 17.622 -6.026 1.00 25.00 H new ATOM 0 HD1 PHE A 23 4.116 19.576 -4.628 1.00 25.00 H new ATOM 0 HD2 PHE A 23 6.857 16.897 -6.523 1.00 25.00 H new ATOM 0 HE1 PHE A 23 5.964 21.190 -4.196 1.00 25.00 H new ATOM 0 HE2 PHE A 23 8.734 18.503 -6.120 1.00 25.00 H new ATOM 0 HZ PHE A 23 8.273 20.654 -4.951 1.00 25.00 H new ATOM 341 N TYR A 24 3.540 14.264 -6.067 1.00 25.00 N ATOM 342 CA TYR A 24 3.698 12.920 -6.612 1.00 25.00 C ATOM 343 C TYR A 24 4.352 13.066 -7.956 1.00 25.00 C ATOM 344 O TYR A 24 4.283 14.121 -8.573 1.00 25.00 O ATOM 345 CB TYR A 24 2.349 12.253 -6.839 1.00 25.00 C ATOM 346 CG TYR A 24 1.591 11.970 -5.585 1.00 25.00 C ATOM 347 CD1 TYR A 24 1.988 10.934 -4.733 1.00 25.00 C ATOM 348 CD2 TYR A 24 0.455 12.718 -5.251 1.00 25.00 C ATOM 349 CE1 TYR A 24 1.274 10.651 -3.555 1.00 25.00 C ATOM 350 CE2 TYR A 24 -0.283 12.427 -4.083 1.00 25.00 C ATOM 351 CZ TYR A 24 0.139 11.393 -3.238 1.00 25.00 C ATOM 352 OH TYR A 24 -0.558 11.088 -2.098 1.00 25.00 O ATOM 0 H TYR A 24 2.799 14.812 -6.505 1.00 25.00 H new ATOM 0 HA TYR A 24 4.279 12.317 -5.915 1.00 25.00 H new ATOM 0 HB2 TYR A 24 1.743 12.892 -7.481 1.00 25.00 H new ATOM 0 HB3 TYR A 24 2.504 11.317 -7.376 1.00 25.00 H new ATOM 0 HD1 TYR A 24 2.856 10.342 -4.984 1.00 25.00 H new ATOM 0 HD2 TYR A 24 0.140 13.526 -5.894 1.00 25.00 H new ATOM 0 HE1 TYR A 24 1.605 9.860 -2.898 1.00 25.00 H new ATOM 0 HE2 TYR A 24 -1.167 12.998 -3.843 1.00 25.00 H new ATOM 0 HH TYR A 24 0.056 10.725 -1.426 1.00 25.00 H new ATOM 362 N SER A 25 4.963 11.993 -8.411 1.00 25.00 N ATOM 363 CA SER A 25 5.629 11.953 -9.689 1.00 25.00 C ATOM 364 C SER A 25 5.383 10.583 -10.275 1.00 25.00 C ATOM 365 O SER A 25 5.183 9.606 -9.545 1.00 25.00 O ATOM 366 CB SER A 25 7.127 12.174 -9.503 1.00 25.00 C ATOM 367 OG SER A 25 7.803 12.184 -10.748 1.00 25.00 O ATOM 0 H SER A 25 5.010 11.114 -7.895 1.00 25.00 H new ATOM 0 HA SER A 25 5.250 12.734 -10.348 1.00 25.00 H new ATOM 0 HB2 SER A 25 7.296 13.119 -8.987 1.00 25.00 H new ATOM 0 HB3 SER A 25 7.537 11.387 -8.870 1.00 25.00 H new ATOM 0 HG SER A 25 8.761 12.329 -10.599 1.00 25.00 H new ATOM 373 N CYS A 26 5.415 10.510 -11.586 1.00 25.00 N ATOM 374 CA CYS A 26 5.300 9.255 -12.288 1.00 25.00 C ATOM 375 C CYS A 26 6.509 9.218 -13.196 1.00 25.00 C ATOM 376 O CYS A 26 6.791 10.201 -13.884 1.00 25.00 O ATOM 377 CB CYS A 26 3.991 9.207 -13.072 1.00 25.00 C ATOM 378 SG CYS A 26 3.094 7.636 -12.930 1.00 25.00 S ATOM 0 H CYS A 26 5.522 11.321 -12.195 1.00 25.00 H new ATOM 0 HA CYS A 26 5.277 8.392 -11.623 1.00 25.00 H new ATOM 0 HB2 CYS A 26 3.344 10.014 -12.727 1.00 25.00 H new ATOM 0 HB3 CYS A 26 4.204 9.397 -14.124 1.00 25.00 H new ATOM 383 N ALA A 27 7.258 8.129 -13.135 1.00 25.00 N ATOM 384 CA ALA A 27 8.462 7.965 -13.943 1.00 25.00 C ATOM 385 C ALA A 27 8.495 6.513 -14.402 1.00 25.00 C ATOM 386 O ALA A 27 8.473 5.603 -13.570 1.00 25.00 O ATOM 387 CB ALA A 27 9.711 8.315 -13.124 1.00 25.00 C ATOM 0 H ALA A 27 7.052 7.336 -12.528 1.00 25.00 H new ATOM 0 HA ALA A 27 8.450 8.635 -14.803 1.00 25.00 H new ATOM 0 HB1 ALA A 27 10.599 8.187 -13.743 1.00 25.00 H new ATOM 0 HB2 ALA A 27 9.648 9.350 -12.789 1.00 25.00 H new ATOM 0 HB3 ALA A 27 9.774 7.657 -12.258 1.00 25.00 H new ATOM 393 N ALA A 28 8.459 6.311 -15.714 1.00 25.00 N ATOM 394 CA ALA A 28 8.339 4.988 -16.332 1.00 25.00 C ATOM 395 C ALA A 28 7.088 4.261 -15.803 1.00 25.00 C ATOM 396 O ALA A 28 7.093 3.040 -15.621 1.00 25.00 O ATOM 397 CB ALA A 28 9.624 4.151 -16.101 1.00 25.00 C ATOM 0 H ALA A 28 8.513 7.071 -16.392 1.00 25.00 H new ATOM 0 HA ALA A 28 8.223 5.116 -17.408 1.00 25.00 H new ATOM 0 HB1 ALA A 28 9.510 3.173 -16.569 1.00 25.00 H new ATOM 0 HB2 ALA A 28 10.478 4.667 -16.540 1.00 25.00 H new ATOM 0 HB3 ALA A 28 9.788 4.024 -15.031 1.00 25.00 H new ATOM 403 N GLY A 29 6.039 5.027 -15.519 1.00 25.00 N ATOM 404 CA GLY A 29 4.799 4.462 -14.997 1.00 25.00 C ATOM 405 C GLY A 29 4.878 3.984 -13.553 1.00 25.00 C ATOM 406 O GLY A 29 3.956 3.332 -13.046 1.00 25.00 O ATOM 0 H GLY A 29 6.023 6.040 -15.641 1.00 25.00 H new ATOM 0 HA2 GLY A 29 4.012 5.212 -15.075 1.00 25.00 H new ATOM 0 HA3 GLY A 29 4.503 3.624 -15.628 1.00 25.00 H new ATOM 410 N ARG A 30 5.985 4.272 -12.880 1.00 25.00 N ATOM 411 CA ARG A 30 6.177 3.860 -11.489 1.00 25.00 C ATOM 412 C ARG A 30 5.921 5.044 -10.586 1.00 25.00 C ATOM 413 O ARG A 30 6.098 6.187 -10.992 1.00 25.00 O ATOM 414 CB ARG A 30 7.602 3.360 -11.261 1.00 25.00 C ATOM 415 CG ARG A 30 8.006 2.216 -12.166 1.00 25.00 C ATOM 416 CD ARG A 30 9.373 1.699 -11.770 1.00 25.00 C ATOM 417 NE ARG A 30 9.864 0.691 -12.724 1.00 25.00 N ATOM 418 CZ ARG A 30 10.983 -0.011 -12.589 1.00 25.00 C ATOM 419 NH1 ARG A 30 11.779 0.130 -11.555 1.00 25.00 N ATOM 420 NH2 ARG A 30 11.308 -0.874 -13.511 1.00 25.00 N ATOM 0 H ARG A 30 6.769 4.792 -13.275 1.00 25.00 H new ATOM 0 HA ARG A 30 5.483 3.050 -11.265 1.00 25.00 H new ATOM 0 HB2 ARG A 30 8.295 4.189 -11.409 1.00 25.00 H new ATOM 0 HB3 ARG A 30 7.703 3.042 -10.223 1.00 25.00 H new ATOM 0 HG2 ARG A 30 7.272 1.413 -12.101 1.00 25.00 H new ATOM 0 HG3 ARG A 30 8.021 2.550 -13.203 1.00 25.00 H new ATOM 0 HD2 ARG A 30 10.077 2.529 -11.721 1.00 25.00 H new ATOM 0 HD3 ARG A 30 9.324 1.264 -10.772 1.00 25.00 H new ATOM 0 HE ARG A 30 9.299 0.518 -13.556 1.00 25.00 H new ATOM 0 HH11 ARG A 30 11.546 0.797 -10.819 1.00 25.00 H new ATOM 0 HH12 ARG A 30 12.630 -0.428 -11.487 1.00 25.00 H new ATOM 0 HH21 ARG A 30 10.705 -1.003 -14.324 1.00 25.00 H new ATOM 0 HH22 ARG A 30 12.165 -1.420 -13.419 1.00 25.00 H new ATOM 434 N LEU A 31 5.515 4.764 -9.358 1.00 25.00 N ATOM 435 CA LEU A 31 5.228 5.820 -8.396 1.00 25.00 C ATOM 436 C LEU A 31 6.516 6.336 -7.788 1.00 25.00 C ATOM 437 O LEU A 31 7.302 5.569 -7.239 1.00 25.00 O ATOM 438 CB LEU A 31 4.340 5.293 -7.260 1.00 25.00 C ATOM 439 CG LEU A 31 3.235 6.236 -6.754 1.00 25.00 C ATOM 440 CD1 LEU A 31 2.526 5.576 -5.568 1.00 25.00 C ATOM 441 CD2 LEU A 31 3.711 7.638 -6.334 1.00 25.00 C ATOM 0 H LEU A 31 5.377 3.818 -9.003 1.00 25.00 H new ATOM 0 HA LEU A 31 4.712 6.621 -8.926 1.00 25.00 H new ATOM 0 HB2 LEU A 31 3.871 4.368 -7.596 1.00 25.00 H new ATOM 0 HB3 LEU A 31 4.982 5.037 -6.417 1.00 25.00 H new ATOM 0 HG LEU A 31 2.569 6.393 -7.602 1.00 25.00 H new ATOM 0 HD11 LEU A 31 1.740 6.236 -5.201 1.00 25.00 H new ATOM 0 HD12 LEU A 31 2.087 4.631 -5.887 1.00 25.00 H new ATOM 0 HD13 LEU A 31 3.246 5.391 -4.771 1.00 25.00 H new ATOM 0 HD21 LEU A 31 2.858 8.225 -5.993 1.00 25.00 H new ATOM 0 HD22 LEU A 31 4.436 7.549 -5.525 1.00 25.00 H new ATOM 0 HD23 LEU A 31 4.176 8.135 -7.186 1.00 25.00 H new ATOM 453 N PHE A 32 6.680 7.644 -7.818 1.00 25.00 N ATOM 454 CA PHE A 32 7.743 8.315 -7.098 1.00 25.00 C ATOM 455 C PHE A 32 7.050 9.459 -6.391 1.00 25.00 C ATOM 456 O PHE A 32 6.059 9.968 -6.882 1.00 25.00 O ATOM 457 CB PHE A 32 8.820 8.836 -8.045 1.00 25.00 C ATOM 458 CG PHE A 32 9.759 7.768 -8.525 1.00 25.00 C ATOM 459 CD1 PHE A 32 9.388 6.920 -9.577 1.00 25.00 C ATOM 460 CD2 PHE A 32 11.019 7.598 -7.920 1.00 25.00 C ATOM 461 CE1 PHE A 32 10.272 5.915 -10.047 1.00 25.00 C ATOM 462 CE2 PHE A 32 11.910 6.592 -8.373 1.00 25.00 C ATOM 463 CZ PHE A 32 11.535 5.753 -9.443 1.00 25.00 C ATOM 0 H PHE A 32 6.076 8.274 -8.346 1.00 25.00 H new ATOM 0 HA PHE A 32 8.257 7.644 -6.410 1.00 25.00 H new ATOM 0 HB2 PHE A 32 8.341 9.302 -8.906 1.00 25.00 H new ATOM 0 HB3 PHE A 32 9.393 9.613 -7.539 1.00 25.00 H new ATOM 0 HD1 PHE A 32 8.417 7.033 -10.036 1.00 25.00 H new ATOM 0 HD2 PHE A 32 11.310 8.241 -7.102 1.00 25.00 H new ATOM 0 HE1 PHE A 32 9.978 5.275 -10.866 1.00 25.00 H new ATOM 0 HE2 PHE A 32 12.873 6.469 -7.900 1.00 25.00 H new ATOM 0 HZ PHE A 32 12.212 4.990 -9.798 1.00 25.00 H new ATOM 473 N GLN A 33 7.541 9.869 -5.241 1.00 25.00 N ATOM 474 CA GLN A 33 7.037 11.082 -4.617 1.00 25.00 C ATOM 475 C GLN A 33 8.229 12.016 -4.668 1.00 25.00 C ATOM 476 O GLN A 33 9.374 11.561 -4.676 1.00 25.00 O ATOM 477 CB GLN A 33 6.506 10.829 -3.212 1.00 25.00 C ATOM 478 CG GLN A 33 5.153 10.099 -3.239 1.00 25.00 C ATOM 479 CD GLN A 33 4.507 10.026 -1.874 1.00 25.00 C ATOM 480 OE1 GLN A 33 4.319 11.027 -1.214 1.00 25.00 O ATOM 481 NE2 GLN A 33 4.160 8.838 -1.452 1.00 25.00 N ATOM 0 H GLN A 33 8.278 9.391 -4.722 1.00 25.00 H new ATOM 0 HA GLN A 33 6.171 11.506 -5.125 1.00 25.00 H new ATOM 0 HB2 GLN A 33 7.228 10.236 -2.651 1.00 25.00 H new ATOM 0 HB3 GLN A 33 6.397 11.778 -2.688 1.00 25.00 H new ATOM 0 HG2 GLN A 33 4.481 10.611 -3.928 1.00 25.00 H new ATOM 0 HG3 GLN A 33 5.296 9.089 -3.624 1.00 25.00 H new ATOM 0 HE21 GLN A 33 4.334 8.019 -2.035 1.00 25.00 H new ATOM 0 HE22 GLN A 33 3.715 8.730 -0.540 1.00 25.00 H new ATOM 490 N GLN A 34 7.962 13.297 -4.835 1.00 25.00 N ATOM 491 CA GLN A 34 9.002 14.285 -5.080 1.00 25.00 C ATOM 492 C GLN A 34 8.834 15.424 -4.120 1.00 25.00 C ATOM 493 O GLN A 34 7.771 15.605 -3.550 1.00 25.00 O ATOM 494 CB GLN A 34 8.880 14.826 -6.511 1.00 25.00 C ATOM 495 CG GLN A 34 9.667 14.029 -7.540 1.00 25.00 C ATOM 496 CD GLN A 34 11.104 14.486 -7.639 1.00 25.00 C ATOM 497 OE1 GLN A 34 11.406 15.448 -8.320 1.00 25.00 O ATOM 498 NE2 GLN A 34 11.991 13.803 -6.963 1.00 25.00 N ATOM 0 H GLN A 34 7.019 13.685 -4.805 1.00 25.00 H new ATOM 0 HA GLN A 34 9.978 13.818 -4.947 1.00 25.00 H new ATOM 0 HB2 GLN A 34 7.828 14.833 -6.798 1.00 25.00 H new ATOM 0 HB3 GLN A 34 9.222 15.861 -6.528 1.00 25.00 H new ATOM 0 HG2 GLN A 34 9.641 12.972 -7.275 1.00 25.00 H new ATOM 0 HG3 GLN A 34 9.189 14.125 -8.515 1.00 25.00 H new ATOM 0 HE21 GLN A 34 11.699 13.002 -6.403 1.00 25.00 H new ATOM 0 HE22 GLN A 34 12.975 14.071 -6.996 1.00 25.00 H new ATOM 507 N SER A 35 9.866 16.232 -4.008 1.00 25.00 N ATOM 508 CA SER A 35 9.807 17.472 -3.276 1.00 25.00 C ATOM 509 C SER A 35 10.743 18.349 -4.068 1.00 25.00 C ATOM 510 O SER A 35 11.624 17.830 -4.754 1.00 25.00 O ATOM 511 CB SER A 35 10.289 17.296 -1.835 1.00 25.00 C ATOM 512 OG SER A 35 11.595 16.747 -1.802 1.00 25.00 O ATOM 0 H SER A 35 10.776 16.042 -4.427 1.00 25.00 H new ATOM 0 HA SER A 35 8.800 17.878 -3.182 1.00 25.00 H new ATOM 0 HB2 SER A 35 10.282 18.259 -1.325 1.00 25.00 H new ATOM 0 HB3 SER A 35 9.602 16.644 -1.295 1.00 25.00 H new ATOM 0 HG SER A 35 11.883 16.645 -0.871 1.00 25.00 H new ATOM 518 N CYS A 36 10.560 19.654 -4.001 1.00 25.00 N ATOM 519 CA CYS A 36 11.477 20.572 -4.657 1.00 25.00 C ATOM 520 C CYS A 36 12.073 21.355 -3.493 1.00 25.00 C ATOM 521 O CYS A 36 11.325 21.947 -2.724 1.00 25.00 O ATOM 522 CB CYS A 36 10.773 21.483 -5.663 1.00 25.00 C ATOM 523 SG CYS A 36 10.310 20.595 -7.190 1.00 25.00 S ATOM 0 H CYS A 36 9.791 20.102 -3.503 1.00 25.00 H new ATOM 0 HA CYS A 36 12.229 20.058 -5.255 1.00 25.00 H new ATOM 0 HB2 CYS A 36 9.879 21.905 -5.205 1.00 25.00 H new ATOM 0 HB3 CYS A 36 11.427 22.318 -5.914 1.00 25.00 H new ATOM 528 N PRO A 37 13.400 21.263 -3.273 1.00 25.00 N ATOM 529 CA PRO A 37 13.929 21.871 -2.042 1.00 25.00 C ATOM 530 C PRO A 37 13.945 23.411 -2.041 1.00 25.00 C ATOM 531 O PRO A 37 13.029 24.039 -1.530 1.00 25.00 O ATOM 532 CB PRO A 37 15.331 21.252 -1.934 1.00 25.00 C ATOM 533 CG PRO A 37 15.727 20.973 -3.352 1.00 25.00 C ATOM 534 CD PRO A 37 14.451 20.553 -4.033 1.00 25.00 C ATOM 0 HA PRO A 37 13.295 21.664 -1.180 1.00 25.00 H new ATOM 0 HB2 PRO A 37 16.031 21.936 -1.453 1.00 25.00 H new ATOM 0 HB3 PRO A 37 15.317 20.339 -1.339 1.00 25.00 H new ATOM 0 HG2 PRO A 37 16.155 21.857 -3.824 1.00 25.00 H new ATOM 0 HG3 PRO A 37 16.481 20.187 -3.405 1.00 25.00 H new ATOM 0 HD2 PRO A 37 14.446 20.837 -5.085 1.00 25.00 H new ATOM 0 HD3 PRO A 37 14.313 19.472 -3.994 1.00 25.00 H new ATOM 542 N THR A 38 15.009 24.021 -2.543 1.00 25.00 N ATOM 543 CA THR A 38 15.088 25.476 -2.647 1.00 25.00 C ATOM 544 C THR A 38 14.871 25.933 -4.095 1.00 25.00 C ATOM 545 O THR A 38 15.199 25.207 -5.034 1.00 25.00 O ATOM 546 CB THR A 38 16.430 26.010 -2.074 1.00 25.00 C ATOM 547 OG1 THR A 38 16.397 27.437 -2.033 1.00 25.00 O ATOM 548 CG2 THR A 38 17.632 25.569 -2.904 1.00 25.00 C ATOM 0 H THR A 38 15.835 23.531 -2.887 1.00 25.00 H new ATOM 0 HA THR A 38 14.287 25.901 -2.042 1.00 25.00 H new ATOM 0 HB THR A 38 16.542 25.595 -1.073 1.00 25.00 H new ATOM 0 HG1 THR A 38 17.243 27.773 -1.670 1.00 25.00 H new ATOM 0 HG21 THR A 38 18.545 25.968 -2.462 1.00 25.00 H new ATOM 0 HG22 THR A 38 17.683 24.480 -2.921 1.00 25.00 H new ATOM 0 HG23 THR A 38 17.528 25.943 -3.922 1.00 25.00 H new ATOM 556 N GLY A 39 14.377 27.154 -4.267 1.00 25.00 N ATOM 557 CA GLY A 39 14.336 27.798 -5.577 1.00 25.00 C ATOM 558 C GLY A 39 13.338 27.302 -6.610 1.00 25.00 C ATOM 559 O GLY A 39 13.175 27.943 -7.649 1.00 25.00 O ATOM 0 H GLY A 39 13.996 27.722 -3.510 1.00 25.00 H new ATOM 0 HA2 GLY A 39 14.144 28.859 -5.416 1.00 25.00 H new ATOM 0 HA3 GLY A 39 15.331 27.717 -6.015 1.00 25.00 H new ATOM 563 N LEU A 40 12.692 26.174 -6.361 1.00 25.00 N ATOM 564 CA LEU A 40 11.766 25.580 -7.323 1.00 25.00 C ATOM 565 C LEU A 40 10.444 25.268 -6.629 1.00 25.00 C ATOM 566 O LEU A 40 10.438 24.890 -5.459 1.00 25.00 O ATOM 567 CB LEU A 40 12.362 24.283 -7.888 1.00 25.00 C ATOM 568 CG LEU A 40 13.730 24.329 -8.589 1.00 25.00 C ATOM 569 CD1 LEU A 40 14.162 22.899 -8.913 1.00 25.00 C ATOM 570 CD2 LEU A 40 13.698 25.155 -9.867 1.00 25.00 C ATOM 0 H LEU A 40 12.791 25.645 -5.495 1.00 25.00 H new ATOM 0 HA LEU A 40 11.596 26.283 -8.138 1.00 25.00 H new ATOM 0 HB2 LEU A 40 12.439 23.572 -7.066 1.00 25.00 H new ATOM 0 HB3 LEU A 40 11.643 23.874 -8.598 1.00 25.00 H new ATOM 0 HG LEU A 40 14.441 24.807 -7.915 1.00 25.00 H new ATOM 0 HD11 LEU A 40 15.131 22.916 -9.411 1.00 25.00 H new ATOM 0 HD12 LEU A 40 14.238 22.324 -7.990 1.00 25.00 H new ATOM 0 HD13 LEU A 40 13.425 22.436 -9.569 1.00 25.00 H new ATOM 0 HD21 LEU A 40 14.687 25.156 -10.324 1.00 25.00 H new ATOM 0 HD22 LEU A 40 12.978 24.723 -10.562 1.00 25.00 H new ATOM 0 HD23 LEU A 40 13.406 26.178 -9.632 1.00 25.00 H new ATOM 582 N VAL A 41 9.338 25.419 -7.344 1.00 25.00 N ATOM 583 CA VAL A 41 7.996 25.162 -6.805 1.00 25.00 C ATOM 584 C VAL A 41 7.178 24.364 -7.827 1.00 25.00 C ATOM 585 O VAL A 41 7.358 24.522 -9.025 1.00 25.00 O ATOM 586 CB VAL A 41 7.248 26.503 -6.475 1.00 25.00 C ATOM 587 CG1 VAL A 41 7.943 27.234 -5.315 1.00 25.00 C ATOM 588 CG2 VAL A 41 7.190 27.440 -7.709 1.00 25.00 C ATOM 0 H VAL A 41 9.339 25.724 -8.317 1.00 25.00 H new ATOM 0 HA VAL A 41 8.104 24.592 -5.882 1.00 25.00 H new ATOM 0 HB VAL A 41 6.229 26.244 -6.187 1.00 25.00 H new ATOM 0 HG11 VAL A 41 7.412 28.161 -5.099 1.00 25.00 H new ATOM 0 HG12 VAL A 41 7.938 26.598 -4.429 1.00 25.00 H new ATOM 0 HG13 VAL A 41 8.972 27.461 -5.593 1.00 25.00 H new ATOM 0 HG21 VAL A 41 6.666 28.358 -7.444 1.00 25.00 H new ATOM 0 HG22 VAL A 41 8.203 27.681 -8.031 1.00 25.00 H new ATOM 0 HG23 VAL A 41 6.660 26.941 -8.520 1.00 25.00 H new ATOM 598 N PHE A 42 6.286 23.498 -7.372 1.00 25.00 N ATOM 599 CA PHE A 42 5.448 22.737 -8.303 1.00 25.00 C ATOM 600 C PHE A 42 4.330 23.624 -8.827 1.00 25.00 C ATOM 601 O PHE A 42 3.609 24.245 -8.050 1.00 25.00 O ATOM 602 CB PHE A 42 4.842 21.510 -7.617 1.00 25.00 C ATOM 603 CG PHE A 42 3.784 20.809 -8.443 1.00 25.00 C ATOM 604 CD1 PHE A 42 4.039 20.430 -9.773 1.00 25.00 C ATOM 605 CD2 PHE A 42 2.517 20.539 -7.891 1.00 25.00 C ATOM 606 CE1 PHE A 42 3.040 19.797 -10.553 1.00 25.00 C ATOM 607 CE2 PHE A 42 1.511 19.892 -8.661 1.00 25.00 C ATOM 608 CZ PHE A 42 1.780 19.522 -9.995 1.00 25.00 C ATOM 0 H PHE A 42 6.120 23.302 -6.385 1.00 25.00 H new ATOM 0 HA PHE A 42 6.074 22.400 -9.129 1.00 25.00 H new ATOM 0 HB2 PHE A 42 5.639 20.802 -7.388 1.00 25.00 H new ATOM 0 HB3 PHE A 42 4.404 21.816 -6.667 1.00 25.00 H new ATOM 0 HD1 PHE A 42 5.009 20.624 -10.206 1.00 25.00 H new ATOM 0 HD2 PHE A 42 2.307 20.826 -6.871 1.00 25.00 H new ATOM 0 HE1 PHE A 42 3.247 19.526 -11.578 1.00 25.00 H new ATOM 0 HE2 PHE A 42 0.545 19.685 -8.226 1.00 25.00 H new ATOM 0 HZ PHE A 42 1.021 19.030 -10.585 1.00 25.00 H new ATOM 618 N SER A 43 4.158 23.645 -10.142 1.00 25.00 N ATOM 619 CA SER A 43 3.069 24.389 -10.755 1.00 25.00 C ATOM 620 C SER A 43 2.273 23.471 -11.666 1.00 25.00 C ATOM 621 O SER A 43 2.808 22.866 -12.597 1.00 25.00 O ATOM 622 CB SER A 43 3.603 25.576 -11.545 1.00 25.00 C ATOM 623 OG SER A 43 2.520 26.324 -12.070 1.00 25.00 O ATOM 0 H SER A 43 4.760 23.155 -10.804 1.00 25.00 H new ATOM 0 HA SER A 43 2.419 24.769 -9.967 1.00 25.00 H new ATOM 0 HB2 SER A 43 4.216 26.207 -10.902 1.00 25.00 H new ATOM 0 HB3 SER A 43 4.244 25.228 -12.355 1.00 25.00 H new ATOM 0 HG SER A 43 2.467 26.187 -13.039 1.00 25.00 H new ATOM 629 N ASN A 44 0.980 23.369 -11.394 1.00 25.00 N ATOM 630 CA ASN A 44 0.096 22.491 -12.163 1.00 25.00 C ATOM 631 C ASN A 44 -0.033 22.915 -13.625 1.00 25.00 C ATOM 632 O ASN A 44 -0.370 22.093 -14.464 1.00 25.00 O ATOM 633 CB ASN A 44 -1.302 22.456 -11.531 1.00 25.00 C ATOM 634 CG ASN A 44 -1.507 21.251 -10.644 1.00 25.00 C ATOM 635 OD1 ASN A 44 -1.415 20.111 -11.088 1.00 25.00 O ATOM 636 ND2 ASN A 44 -1.809 21.490 -9.397 1.00 25.00 N ATOM 0 H ASN A 44 0.515 23.883 -10.646 1.00 25.00 H new ATOM 0 HA ASN A 44 0.550 21.500 -12.140 1.00 25.00 H new ATOM 0 HB2 ASN A 44 -1.456 23.363 -10.947 1.00 25.00 H new ATOM 0 HB3 ASN A 44 -2.054 22.454 -12.320 1.00 25.00 H new ATOM 0 HD21 ASN A 44 -1.978 20.715 -8.756 1.00 25.00 H new ATOM 0 HD22 ASN A 44 -1.876 22.452 -9.064 1.00 25.00 H new ATOM 643 N SER A 45 0.252 24.178 -13.932 1.00 25.00 N ATOM 644 CA SER A 45 0.167 24.665 -15.313 1.00 25.00 C ATOM 645 C SER A 45 1.239 24.028 -16.198 1.00 25.00 C ATOM 646 O SER A 45 1.013 23.791 -17.374 1.00 25.00 O ATOM 647 CB SER A 45 0.322 26.186 -15.347 1.00 25.00 C ATOM 648 OG SER A 45 1.552 26.579 -14.761 1.00 25.00 O ATOM 0 H SER A 45 0.542 24.881 -13.252 1.00 25.00 H new ATOM 0 HA SER A 45 -0.812 24.385 -15.701 1.00 25.00 H new ATOM 0 HB2 SER A 45 0.276 26.538 -16.378 1.00 25.00 H new ATOM 0 HB3 SER A 45 -0.506 26.653 -14.813 1.00 25.00 H new ATOM 0 HG SER A 45 1.633 27.555 -14.794 1.00 25.00 H new ATOM 654 N CYS A 46 2.392 23.730 -15.613 1.00 25.00 N ATOM 655 CA CYS A 46 3.475 23.063 -16.338 1.00 25.00 C ATOM 656 C CYS A 46 3.382 21.560 -16.117 1.00 25.00 C ATOM 657 O CYS A 46 3.962 20.770 -16.856 1.00 25.00 O ATOM 658 CB CYS A 46 4.831 23.554 -15.817 1.00 25.00 C ATOM 659 SG CYS A 46 6.265 22.794 -16.652 1.00 25.00 S ATOM 0 H CYS A 46 2.605 23.938 -14.638 1.00 25.00 H new ATOM 0 HA CYS A 46 3.385 23.292 -17.400 1.00 25.00 H new ATOM 0 HB2 CYS A 46 4.885 24.636 -15.937 1.00 25.00 H new ATOM 0 HB3 CYS A 46 4.894 23.348 -14.748 1.00 25.00 H new ATOM 664 N LYS A 47 2.707 21.192 -15.029 1.00 25.00 N ATOM 665 CA LYS A 47 2.647 19.807 -14.542 1.00 25.00 C ATOM 666 C LYS A 47 4.072 19.343 -14.222 1.00 25.00 C ATOM 667 O LYS A 47 4.396 18.155 -14.249 1.00 25.00 O ATOM 668 CB LYS A 47 1.948 18.900 -15.575 1.00 25.00 C ATOM 669 CG LYS A 47 1.071 17.818 -14.974 1.00 25.00 C ATOM 670 CD LYS A 47 -0.147 18.411 -14.262 1.00 25.00 C ATOM 671 CE LYS A 47 -0.991 17.331 -13.625 1.00 25.00 C ATOM 672 NZ LYS A 47 -2.160 17.956 -12.932 1.00 25.00 N ATOM 0 H LYS A 47 2.181 21.849 -14.453 1.00 25.00 H new ATOM 0 HA LYS A 47 2.052 19.748 -13.631 1.00 25.00 H new ATOM 0 HB2 LYS A 47 1.338 19.521 -16.231 1.00 25.00 H new ATOM 0 HB3 LYS A 47 2.708 18.429 -16.198 1.00 25.00 H new ATOM 0 HG2 LYS A 47 0.739 17.140 -15.760 1.00 25.00 H new ATOM 0 HG3 LYS A 47 1.654 17.227 -14.268 1.00 25.00 H new ATOM 0 HD2 LYS A 47 0.183 19.115 -13.498 1.00 25.00 H new ATOM 0 HD3 LYS A 47 -0.750 18.973 -14.975 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -1.337 16.630 -14.384 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -0.394 16.761 -12.913 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -2.665 17.232 -12.381 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 -1.825 18.706 -12.294 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 -2.804 18.365 -13.638 1.00 25.00 H new ATOM 686 N CYS A 48 4.905 20.323 -13.898 1.00 25.00 N ATOM 687 CA CYS A 48 6.315 20.123 -13.621 1.00 25.00 C ATOM 688 C CYS A 48 6.706 21.078 -12.498 1.00 25.00 C ATOM 689 O CYS A 48 5.913 21.953 -12.121 1.00 25.00 O ATOM 690 CB CYS A 48 7.147 20.430 -14.876 1.00 25.00 C ATOM 691 SG CYS A 48 7.485 22.210 -15.135 1.00 25.00 S ATOM 0 H CYS A 48 4.611 21.296 -13.820 1.00 25.00 H new ATOM 0 HA CYS A 48 6.502 19.089 -13.330 1.00 25.00 H new ATOM 0 HB2 CYS A 48 8.096 19.898 -14.809 1.00 25.00 H new ATOM 0 HB3 CYS A 48 6.624 20.040 -15.749 1.00 25.00 H new ATOM 696 N CYS A 49 7.915 20.937 -11.977 1.00 25.00 N ATOM 697 CA CYS A 49 8.415 21.867 -10.974 1.00 25.00 C ATOM 698 C CYS A 49 9.080 23.010 -11.738 1.00 25.00 C ATOM 699 O CYS A 49 9.894 22.772 -12.626 1.00 25.00 O ATOM 700 CB CYS A 49 9.398 21.170 -10.028 1.00 25.00 C ATOM 701 SG CYS A 49 9.583 22.026 -8.429 1.00 25.00 S ATOM 0 H CYS A 49 8.565 20.193 -12.229 1.00 25.00 H new ATOM 0 HA CYS A 49 7.609 22.246 -10.346 1.00 25.00 H new ATOM 0 HB2 CYS A 49 9.059 20.149 -9.850 1.00 25.00 H new ATOM 0 HB3 CYS A 49 10.372 21.103 -10.512 1.00 25.00 H new ATOM 706 N THR A 50 8.680 24.232 -11.438 1.00 25.00 N ATOM 707 CA THR A 50 9.135 25.416 -12.158 1.00 25.00 C ATOM 708 C THR A 50 9.990 26.266 -11.240 1.00 25.00 C ATOM 709 O THR A 50 9.921 26.134 -10.024 1.00 25.00 O ATOM 710 CB THR A 50 7.927 26.271 -12.611 1.00 25.00 C ATOM 711 OG1 THR A 50 7.106 26.576 -11.478 1.00 25.00 O ATOM 712 CG2 THR A 50 7.070 25.522 -13.609 1.00 25.00 C ATOM 0 H THR A 50 8.025 24.436 -10.683 1.00 25.00 H new ATOM 0 HA THR A 50 9.705 25.091 -13.028 1.00 25.00 H new ATOM 0 HB THR A 50 8.317 27.178 -13.073 1.00 25.00 H new ATOM 0 HG1 THR A 50 6.342 27.119 -11.764 1.00 25.00 H new ATOM 0 HG21 THR A 50 6.229 26.148 -13.909 1.00 25.00 H new ATOM 0 HG22 THR A 50 7.667 25.272 -14.486 1.00 25.00 H new ATOM 0 HG23 THR A 50 6.695 24.606 -13.152 1.00 25.00 H new ATOM 720 N TRP A 51 10.780 27.158 -11.814 1.00 25.00 N ATOM 721 CA TRP A 51 11.595 28.065 -11.019 1.00 25.00 C ATOM 722 C TRP A 51 10.687 29.036 -10.271 1.00 25.00 C ATOM 723 O TRP A 51 9.624 29.410 -10.772 1.00 25.00 O ATOM 724 CB TRP A 51 12.567 28.823 -11.922 1.00 25.00 C ATOM 725 CG TRP A 51 13.571 29.613 -11.146 1.00 25.00 C ATOM 726 CD1 TRP A 51 14.538 29.131 -10.326 1.00 25.00 C ATOM 727 CD2 TRP A 51 13.711 31.048 -11.097 1.00 25.00 C ATOM 728 NE1 TRP A 51 15.269 30.133 -9.764 1.00 25.00 N ATOM 729 CE2 TRP A 51 14.789 31.334 -10.207 1.00 25.00 C ATOM 730 CE3 TRP A 51 13.038 32.120 -11.714 1.00 25.00 C ATOM 731 CZ2 TRP A 51 15.197 32.650 -9.914 1.00 25.00 C ATOM 732 CZ3 TRP A 51 13.454 33.450 -11.431 1.00 25.00 C ATOM 733 CH2 TRP A 51 14.528 33.695 -10.527 1.00 25.00 C ATOM 0 H TRP A 51 10.875 27.274 -12.823 1.00 25.00 H new ATOM 0 HA TRP A 51 12.176 27.494 -10.295 1.00 25.00 H new ATOM 0 HB2 TRP A 51 13.087 28.114 -12.567 1.00 25.00 H new ATOM 0 HB3 TRP A 51 12.006 29.494 -12.573 1.00 25.00 H new ATOM 0 HD1 TRP A 51 14.708 28.080 -10.141 1.00 25.00 H new ATOM 0 HE1 TRP A 51 16.048 30.008 -9.118 1.00 25.00 H new ATOM 0 HE3 TRP A 51 12.218 31.935 -12.392 1.00 25.00 H new ATOM 0 HZ2 TRP A 51 16.010 32.839 -9.229 1.00 25.00 H new ATOM 0 HZ3 TRP A 51 12.952 34.281 -11.905 1.00 25.00 H new ATOM 0 HH2 TRP A 51 14.825 34.712 -10.317 1.00 25.00 H new ATOM 744 N ASN A 52 11.099 29.434 -9.075 1.00 25.00 N ATOM 745 CA ASN A 52 10.324 30.364 -8.252 1.00 25.00 C ATOM 746 C ASN A 52 10.493 31.812 -8.730 1.00 25.00 C ATOM 747 O ASN A 52 11.114 32.636 -8.063 1.00 25.00 O ATOM 748 CB ASN A 52 10.745 30.249 -6.785 1.00 25.00 C ATOM 749 CG ASN A 52 9.876 31.077 -5.873 1.00 25.00 C ATOM 750 OD1 ASN A 52 8.665 31.085 -6.003 1.00 25.00 O ATOM 751 ND2 ASN A 52 10.484 31.782 -4.960 1.00 25.00 N ATOM 0 H ASN A 52 11.972 29.127 -8.647 1.00 25.00 H new ATOM 0 HA ASN A 52 9.272 30.096 -8.349 1.00 25.00 H new ATOM 0 HB2 ASN A 52 10.699 29.204 -6.477 1.00 25.00 H new ATOM 0 HB3 ASN A 52 11.783 30.566 -6.681 1.00 25.00 H new ATOM 0 HD21 ASN A 52 9.943 32.367 -4.323 1.00 25.00 H new ATOM 0 HD22 ASN A 52 11.501 31.749 -4.883 1.00 25.00 H new ATOM 758 N GLY A 53 9.924 32.109 -9.889 1.00 25.00 N ATOM 759 CA GLY A 53 9.991 33.446 -10.465 1.00 25.00 C ATOM 760 C GLY A 53 8.922 34.374 -9.929 1.00 25.00 C ATOM 761 O GLY A 53 8.180 34.976 -10.698 1.00 25.00 O ATOM 0 H GLY A 53 9.406 31.436 -10.454 1.00 25.00 H new ATOM 0 HA2 GLY A 53 10.972 33.875 -10.261 1.00 25.00 H new ATOM 0 HA3 GLY A 53 9.893 33.375 -11.548 1.00 25.00 H new ATOM 765 N LEU A 54 8.817 34.467 -8.612 1.00 25.00 N ATOM 766 CA LEU A 54 7.829 35.336 -7.980 1.00 25.00 C ATOM 767 C LEU A 54 8.165 36.800 -8.265 1.00 25.00 C ATOM 768 O LEU A 54 9.297 37.237 -8.063 1.00 25.00 O ATOM 769 CB LEU A 54 7.799 35.088 -6.473 1.00 25.00 C ATOM 770 CG LEU A 54 6.620 35.799 -5.793 1.00 25.00 C ATOM 771 CD1 LEU A 54 5.893 34.827 -4.886 1.00 25.00 C ATOM 772 CD2 LEU A 54 7.090 37.017 -5.010 1.00 25.00 C ATOM 0 H LEU A 54 9.404 33.951 -7.957 1.00 25.00 H new ATOM 0 HA LEU A 54 6.845 35.112 -8.392 1.00 25.00 H new ATOM 0 HB2 LEU A 54 7.733 34.017 -6.284 1.00 25.00 H new ATOM 0 HB3 LEU A 54 8.734 35.433 -6.031 1.00 25.00 H new ATOM 0 HG LEU A 54 5.934 36.149 -6.564 1.00 25.00 H new ATOM 0 HD11 LEU A 54 5.057 35.334 -4.405 1.00 25.00 H new ATOM 0 HD12 LEU A 54 5.519 33.990 -5.475 1.00 25.00 H new ATOM 0 HD13 LEU A 54 6.580 34.457 -4.125 1.00 25.00 H new ATOM 0 HD21 LEU A 54 6.233 37.500 -4.540 1.00 25.00 H new ATOM 0 HD22 LEU A 54 7.798 36.705 -4.242 1.00 25.00 H new ATOM 0 HD23 LEU A 54 7.576 37.720 -5.687 1.00 25.00 H new ATOM 784 N VAL A 55 7.172 37.556 -8.710 1.00 25.00 N ATOM 785 CA VAL A 55 7.337 38.981 -8.988 1.00 25.00 C ATOM 786 C VAL A 55 6.405 39.712 -8.008 1.00 25.00 C ATOM 787 O VAL A 55 5.258 39.314 -7.850 1.00 25.00 O ATOM 788 CB VAL A 55 6.972 39.300 -10.478 1.00 25.00 C ATOM 789 CG1 VAL A 55 7.166 40.791 -10.798 1.00 25.00 C ATOM 790 CG2 VAL A 55 7.848 38.466 -11.430 1.00 25.00 C ATOM 0 H VAL A 55 6.232 37.204 -8.889 1.00 25.00 H new ATOM 0 HA VAL A 55 8.370 39.302 -8.854 1.00 25.00 H new ATOM 0 HB VAL A 55 5.921 39.046 -10.619 1.00 25.00 H new ATOM 0 HG11 VAL A 55 6.904 40.977 -11.840 1.00 25.00 H new ATOM 0 HG12 VAL A 55 6.525 41.389 -10.150 1.00 25.00 H new ATOM 0 HG13 VAL A 55 8.207 41.066 -10.631 1.00 25.00 H new ATOM 0 HG21 VAL A 55 7.585 38.697 -12.462 1.00 25.00 H new ATOM 0 HG22 VAL A 55 8.898 38.705 -11.261 1.00 25.00 H new ATOM 0 HG23 VAL A 55 7.682 37.405 -11.242 1.00 25.00 H new ATOM 800 N PRO A 56 6.898 40.753 -7.304 1.00 25.00 N ATOM 801 CA PRO A 56 6.073 41.460 -6.314 1.00 25.00 C ATOM 802 C PRO A 56 5.212 42.577 -6.916 1.00 25.00 C ATOM 803 O PRO A 56 4.727 43.452 -6.202 1.00 25.00 O ATOM 804 CB PRO A 56 7.129 42.047 -5.381 1.00 25.00 C ATOM 805 CG PRO A 56 8.225 42.420 -6.298 1.00 25.00 C ATOM 806 CD PRO A 56 8.255 41.334 -7.359 1.00 25.00 C ATOM 0 HA PRO A 56 5.349 40.799 -5.838 1.00 25.00 H new ATOM 0 HB2 PRO A 56 6.749 42.911 -4.837 1.00 25.00 H new ATOM 0 HB3 PRO A 56 7.457 41.321 -4.637 1.00 25.00 H new ATOM 0 HG2 PRO A 56 8.048 43.399 -6.744 1.00 25.00 H new ATOM 0 HG3 PRO A 56 9.176 42.478 -5.769 1.00 25.00 H new ATOM 0 HD2 PRO A 56 8.476 41.743 -8.345 1.00 25.00 H new ATOM 0 HD3 PRO A 56 9.019 40.587 -7.146 1.00 25.00 H new ATOM 814 N ARG A 57 5.081 42.573 -8.236 1.00 25.00 N ATOM 815 CA ARG A 57 4.307 43.583 -8.961 1.00 25.00 C ATOM 816 C ARG A 57 3.099 42.933 -9.594 1.00 25.00 C ATOM 817 O ARG A 57 2.099 43.640 -9.816 1.00 25.00 O ATOM 818 CB ARG A 57 5.133 44.209 -10.080 1.00 25.00 C ATOM 819 CG ARG A 57 6.300 45.045 -9.611 1.00 25.00 C ATOM 820 CD ARG A 57 7.018 45.674 -10.808 1.00 25.00 C ATOM 821 NE ARG A 57 6.099 46.499 -11.615 1.00 25.00 N ATOM 822 CZ ARG A 57 5.767 47.759 -11.364 1.00 25.00 C ATOM 823 NH1 ARG A 57 4.913 48.354 -12.149 1.00 25.00 N ATOM 824 NH2 ARG A 57 6.264 48.431 -10.356 1.00 25.00 N ATOM 825 OXT ARG A 57 3.222 41.751 -9.960 1.00 25.00 O ATOM 0 H ARG A 57 5.508 41.870 -8.839 1.00 25.00 H new ATOM 0 HA ARG A 57 4.013 44.353 -8.247 1.00 25.00 H new ATOM 0 HB2 ARG A 57 5.509 43.414 -10.724 1.00 25.00 H new ATOM 0 HB3 ARG A 57 4.479 44.832 -10.691 1.00 25.00 H new ATOM 0 HG2 ARG A 57 5.949 45.827 -8.937 1.00 25.00 H new ATOM 0 HG3 ARG A 57 6.996 44.425 -9.045 1.00 25.00 H new ATOM 0 HD2 ARG A 57 7.846 46.289 -10.455 1.00 25.00 H new ATOM 0 HD3 ARG A 57 7.446 44.889 -11.431 1.00 25.00 H new ATOM 0 HE ARG A 57 5.682 46.063 -12.438 1.00 25.00 H new ATOM 0 HH11 ARG A 57 4.512 47.851 -12.941 1.00 25.00 H new ATOM 0 HH12 ARG A 57 4.646 49.322 -11.972 1.00 25.00 H new ATOM 0 HH21 ARG A 57 6.934 47.987 -9.728 1.00 25.00 H new ATOM 0 HH22 ARG A 57 5.981 49.398 -10.199 1.00 25.00 H new TER 839 ARG A 57