USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 466 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 2 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 1.16 (180deg=-0.103) 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 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 52:sc= 0.922 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 23:sc= 0.187 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00177 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 37 GLN : amide:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -123:sc= 0.925 (180deg=-2.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.273 USER MOD Single : A 56 SER OG : rot -133:sc= 1.02 USER MOD Single : A 57 ASN : amide:sc= -0.275 K(o=-0.28,f=-1.7!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 139:sc= -0.0768 (180deg=-2.21!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 30:sc= 0.416 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.139 -8.307 -2.794 1.00 0.00 N ATOM 2 CA GLY A 1 8.274 -9.221 -3.916 1.00 0.00 C ATOM 3 C GLY A 1 9.744 -9.562 -4.169 1.00 0.00 C ATOM 4 O GLY A 1 10.593 -9.349 -3.305 1.00 0.00 O ATOM 0 H1 GLY A 1 7.426 -8.674 -2.131 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.053 -8.219 -2.306 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.841 -7.373 -3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.714 -10.134 -3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.842 -8.772 -4.810 1.00 0.00 H new ATOM 8 N SER A 2 10.000 -10.088 -5.359 1.00 0.00 N ATOM 9 CA SER A 2 11.352 -10.461 -5.737 1.00 0.00 C ATOM 10 C SER A 2 11.374 -10.946 -7.188 1.00 0.00 C ATOM 11 O SER A 2 10.395 -11.511 -7.673 1.00 0.00 O ATOM 12 CB SER A 2 11.905 -11.543 -4.807 1.00 0.00 C ATOM 13 OG SER A 2 13.086 -12.144 -5.331 1.00 0.00 O ATOM 0 H SER A 2 9.293 -10.264 -6.073 1.00 0.00 H new ATOM 0 HA SER A 2 11.989 -9.581 -5.645 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.122 -11.107 -3.832 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.146 -12.310 -4.651 1.00 0.00 H new ATOM 0 HG SER A 2 13.409 -12.828 -4.708 1.00 0.00 H new ATOM 19 N SER A 3 12.503 -10.709 -7.840 1.00 0.00 N ATOM 20 CA SER A 3 12.665 -11.114 -9.226 1.00 0.00 C ATOM 21 C SER A 3 11.619 -10.421 -10.101 1.00 0.00 C ATOM 22 O SER A 3 10.512 -10.929 -10.271 1.00 0.00 O ATOM 23 CB SER A 3 12.557 -12.633 -9.372 1.00 0.00 C ATOM 24 OG SER A 3 13.652 -13.308 -8.759 1.00 0.00 O ATOM 0 H SER A 3 13.314 -10.242 -7.434 1.00 0.00 H new ATOM 0 HA SER A 3 13.660 -10.814 -9.555 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.624 -12.975 -8.924 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.517 -12.893 -10.430 1.00 0.00 H new ATOM 0 HG SER A 3 13.545 -14.275 -8.873 1.00 0.00 H new ATOM 30 N GLY A 4 12.006 -9.270 -10.632 1.00 0.00 N ATOM 31 CA GLY A 4 11.115 -8.502 -11.485 1.00 0.00 C ATOM 32 C GLY A 4 11.544 -7.035 -11.544 1.00 0.00 C ATOM 33 O GLY A 4 12.069 -6.497 -10.570 1.00 0.00 O ATOM 0 H GLY A 4 12.925 -8.851 -10.488 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.113 -8.925 -12.490 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.095 -8.572 -11.108 1.00 0.00 H new ATOM 37 N SER A 5 11.304 -6.427 -12.697 1.00 0.00 N ATOM 38 CA SER A 5 11.658 -5.033 -12.897 1.00 0.00 C ATOM 39 C SER A 5 10.412 -4.154 -12.776 1.00 0.00 C ATOM 40 O SER A 5 9.414 -4.387 -13.457 1.00 0.00 O ATOM 41 CB SER A 5 12.325 -4.823 -14.257 1.00 0.00 C ATOM 42 OG SER A 5 12.981 -3.561 -14.341 1.00 0.00 O ATOM 0 H SER A 5 10.868 -6.876 -13.503 1.00 0.00 H new ATOM 0 HA SER A 5 12.373 -4.748 -12.125 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.048 -5.620 -14.433 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.574 -4.894 -15.044 1.00 0.00 H new ATOM 0 HG SER A 5 13.396 -3.466 -15.224 1.00 0.00 H new ATOM 48 N SER A 6 10.509 -3.161 -11.904 1.00 0.00 N ATOM 49 CA SER A 6 9.402 -2.246 -11.685 1.00 0.00 C ATOM 50 C SER A 6 9.810 -1.159 -10.688 1.00 0.00 C ATOM 51 O SER A 6 10.811 -1.299 -9.987 1.00 0.00 O ATOM 52 CB SER A 6 8.164 -2.990 -11.181 1.00 0.00 C ATOM 53 OG SER A 6 8.317 -3.432 -9.835 1.00 0.00 O ATOM 0 H SER A 6 11.338 -2.970 -11.341 1.00 0.00 H new ATOM 0 HA SER A 6 9.150 -1.780 -12.638 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.295 -2.336 -11.251 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.970 -3.848 -11.824 1.00 0.00 H new ATOM 0 HG SER A 6 7.505 -3.901 -9.550 1.00 0.00 H new ATOM 59 N GLY A 7 9.014 -0.100 -10.657 1.00 0.00 N ATOM 60 CA GLY A 7 9.281 1.010 -9.758 1.00 0.00 C ATOM 61 C GLY A 7 8.128 1.205 -8.771 1.00 0.00 C ATOM 62 O GLY A 7 7.291 2.088 -8.955 1.00 0.00 O ATOM 0 H GLY A 7 8.184 0.013 -11.240 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.206 0.825 -9.211 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.429 1.923 -10.335 1.00 0.00 H new ATOM 66 N GLY A 8 8.120 0.366 -7.746 1.00 0.00 N ATOM 67 CA GLY A 8 7.084 0.435 -6.730 1.00 0.00 C ATOM 68 C GLY A 8 7.451 -0.417 -5.513 1.00 0.00 C ATOM 69 O GLY A 8 8.234 -1.359 -5.624 1.00 0.00 O ATOM 0 H GLY A 8 8.815 -0.366 -7.597 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.939 1.471 -6.423 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.137 0.091 -7.147 1.00 0.00 H new ATOM 73 N GLU A 9 6.867 -0.056 -4.380 1.00 0.00 N ATOM 74 CA GLU A 9 7.123 -0.775 -3.144 1.00 0.00 C ATOM 75 C GLU A 9 5.873 -1.543 -2.708 1.00 0.00 C ATOM 76 O GLU A 9 4.819 -0.948 -2.492 1.00 0.00 O ATOM 77 CB GLU A 9 7.593 0.177 -2.042 1.00 0.00 C ATOM 78 CG GLU A 9 9.027 0.645 -2.297 1.00 0.00 C ATOM 79 CD GLU A 9 9.793 0.809 -0.983 1.00 0.00 C ATOM 80 OE1 GLU A 9 10.288 -0.224 -0.483 1.00 0.00 O ATOM 81 OE2 GLU A 9 9.865 1.963 -0.508 1.00 0.00 O ATOM 0 H GLU A 9 6.217 0.725 -4.292 1.00 0.00 H new ATOM 0 HA GLU A 9 7.923 -1.493 -3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.928 1.040 -1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.536 -0.324 -1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.540 -0.075 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.014 1.593 -2.835 1.00 0.00 H new ATOM 88 N GLU A 10 6.033 -2.853 -2.592 1.00 0.00 N ATOM 89 CA GLU A 10 4.931 -3.709 -2.186 1.00 0.00 C ATOM 90 C GLU A 10 4.710 -3.609 -0.675 1.00 0.00 C ATOM 91 O GLU A 10 5.646 -3.776 0.105 1.00 0.00 O ATOM 92 CB GLU A 10 5.178 -5.158 -2.609 1.00 0.00 C ATOM 93 CG GLU A 10 5.167 -5.294 -4.133 1.00 0.00 C ATOM 94 CD GLU A 10 6.583 -5.190 -4.703 1.00 0.00 C ATOM 95 OE1 GLU A 10 7.421 -6.023 -4.296 1.00 0.00 O ATOM 96 OE2 GLU A 10 6.796 -4.279 -5.532 1.00 0.00 O ATOM 0 H GLU A 10 6.909 -3.343 -2.772 1.00 0.00 H new ATOM 0 HA GLU A 10 4.027 -3.367 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.137 -5.496 -2.217 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.412 -5.802 -2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.728 -6.252 -4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.539 -4.516 -4.567 1.00 0.00 H new ATOM 103 N TYR A 11 3.467 -3.336 -0.308 1.00 0.00 N ATOM 104 CA TYR A 11 3.111 -3.211 1.095 1.00 0.00 C ATOM 105 C TYR A 11 1.799 -3.939 1.395 1.00 0.00 C ATOM 106 O TYR A 11 0.956 -4.094 0.513 1.00 0.00 O ATOM 107 CB TYR A 11 2.920 -1.715 1.351 1.00 0.00 C ATOM 108 CG TYR A 11 4.177 -1.005 1.858 1.00 0.00 C ATOM 109 CD1 TYR A 11 5.089 -0.490 0.960 1.00 0.00 C ATOM 110 CD2 TYR A 11 4.398 -0.879 3.215 1.00 0.00 C ATOM 111 CE1 TYR A 11 6.272 0.178 1.437 1.00 0.00 C ATOM 112 CE2 TYR A 11 5.581 -0.211 3.692 1.00 0.00 C ATOM 113 CZ TYR A 11 6.459 0.285 2.780 1.00 0.00 C ATOM 114 OH TYR A 11 7.576 0.916 3.231 1.00 0.00 O ATOM 0 H TYR A 11 2.693 -3.198 -0.958 1.00 0.00 H new ATOM 0 HA TYR A 11 3.884 -3.648 1.727 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.593 -1.238 0.427 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.120 -1.581 2.080 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.915 -0.588 -0.101 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.684 -1.281 3.918 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.994 0.585 0.744 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.767 -0.106 4.751 1.00 0.00 H new ATOM 0 HH TYR A 11 7.577 0.919 4.211 1.00 0.00 H new ATOM 124 N ILE A 12 1.667 -4.366 2.642 1.00 0.00 N ATOM 125 CA ILE A 12 0.472 -5.073 3.069 1.00 0.00 C ATOM 126 C ILE A 12 -0.322 -4.189 4.033 1.00 0.00 C ATOM 127 O ILE A 12 0.235 -3.652 4.990 1.00 0.00 O ATOM 128 CB ILE A 12 0.838 -6.441 3.649 1.00 0.00 C ATOM 129 CG1 ILE A 12 1.684 -7.247 2.660 1.00 0.00 C ATOM 130 CG2 ILE A 12 -0.414 -7.204 4.087 1.00 0.00 C ATOM 131 CD1 ILE A 12 0.800 -8.128 1.774 1.00 0.00 C ATOM 0 H ILE A 12 2.369 -4.236 3.371 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.176 -5.276 2.216 1.00 0.00 H new ATOM 0 HB ILE A 12 1.446 -6.283 4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.268 -6.569 2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.394 -7.869 3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.126 -8.173 4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.941 -6.631 4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.069 -7.353 3.228 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.425 -8.690 1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.236 -8.821 2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.108 -7.501 1.212 1.00 0.00 H new ATOM 143 N ALA A 13 -1.610 -4.066 3.747 1.00 0.00 N ATOM 144 CA ALA A 13 -2.486 -3.256 4.577 1.00 0.00 C ATOM 145 C ALA A 13 -2.629 -3.912 5.952 1.00 0.00 C ATOM 146 O ALA A 13 -3.227 -4.980 6.075 1.00 0.00 O ATOM 147 CB ALA A 13 -3.832 -3.077 3.874 1.00 0.00 C ATOM 0 H ALA A 13 -2.068 -4.513 2.953 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.062 -2.263 4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.489 -2.470 4.496 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.679 -2.581 2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.289 -4.053 3.708 1.00 0.00 H new ATOM 153 N LEU A 14 -2.069 -3.246 6.951 1.00 0.00 N ATOM 154 CA LEU A 14 -2.127 -3.751 8.312 1.00 0.00 C ATOM 155 C LEU A 14 -3.572 -3.693 8.813 1.00 0.00 C ATOM 156 O LEU A 14 -4.058 -4.641 9.426 1.00 0.00 O ATOM 157 CB LEU A 14 -1.136 -3.000 9.205 1.00 0.00 C ATOM 158 CG LEU A 14 0.346 -3.241 8.912 1.00 0.00 C ATOM 159 CD1 LEU A 14 1.209 -2.118 9.491 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.787 -4.618 9.412 1.00 0.00 C ATOM 0 H LEU A 14 -1.573 -2.361 6.845 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.820 -4.797 8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.335 -1.932 9.116 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.331 -3.275 10.242 1.00 0.00 H new ATOM 0 HG LEU A 14 0.486 -3.231 7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.258 -2.314 9.269 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.915 -1.167 9.046 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.070 -2.072 10.571 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.844 -4.764 9.191 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.629 -4.682 10.489 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.202 -5.391 8.913 1.00 0.00 H new ATOM 172 N TYR A 15 -4.217 -2.570 8.532 1.00 0.00 N ATOM 173 CA TYR A 15 -5.596 -2.376 8.945 1.00 0.00 C ATOM 174 C TYR A 15 -6.451 -1.871 7.782 1.00 0.00 C ATOM 175 O TYR A 15 -5.933 -1.280 6.836 1.00 0.00 O ATOM 176 CB TYR A 15 -5.562 -1.306 10.039 1.00 0.00 C ATOM 177 CG TYR A 15 -4.431 -1.489 11.053 1.00 0.00 C ATOM 178 CD1 TYR A 15 -4.630 -2.265 12.177 1.00 0.00 C ATOM 179 CD2 TYR A 15 -3.211 -0.879 10.844 1.00 0.00 C ATOM 180 CE1 TYR A 15 -3.566 -2.437 13.132 1.00 0.00 C ATOM 181 CE2 TYR A 15 -2.146 -1.051 11.798 1.00 0.00 C ATOM 182 CZ TYR A 15 -2.376 -1.822 12.895 1.00 0.00 C ATOM 183 OH TYR A 15 -1.371 -1.985 13.796 1.00 0.00 O ATOM 0 H TYR A 15 -3.810 -1.785 8.023 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.028 -3.315 9.291 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.462 -0.326 9.572 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.515 -1.311 10.568 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.584 -2.744 12.340 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.055 -0.272 9.964 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.710 -3.040 14.016 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.187 -0.579 11.646 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.580 -1.490 13.497 1.00 0.00 H new ATOM 193 N PRO A 16 -7.782 -2.129 7.893 1.00 0.00 N ATOM 194 CA PRO A 16 -8.715 -1.708 6.861 1.00 0.00 C ATOM 195 C PRO A 16 -8.966 -0.200 6.932 1.00 0.00 C ATOM 196 O PRO A 16 -9.555 0.290 7.894 1.00 0.00 O ATOM 197 CB PRO A 16 -9.969 -2.531 7.105 1.00 0.00 C ATOM 198 CG PRO A 16 -9.863 -3.040 8.533 1.00 0.00 C ATOM 199 CD PRO A 16 -8.432 -2.826 8.999 1.00 0.00 C ATOM 0 HA PRO A 16 -8.334 -1.877 5.854 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.865 -1.925 6.972 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.036 -3.359 6.399 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.559 -2.507 9.181 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.127 -4.097 8.582 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.398 -2.235 9.914 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.939 -3.774 9.213 1.00 0.00 H new ATOM 207 N TYR A 17 -8.506 0.493 5.901 1.00 0.00 N ATOM 208 CA TYR A 17 -8.674 1.935 5.834 1.00 0.00 C ATOM 209 C TYR A 17 -9.763 2.315 4.829 1.00 0.00 C ATOM 210 O TYR A 17 -9.625 2.060 3.633 1.00 0.00 O ATOM 211 CB TYR A 17 -7.334 2.493 5.351 1.00 0.00 C ATOM 212 CG TYR A 17 -7.356 3.994 5.051 1.00 0.00 C ATOM 213 CD1 TYR A 17 -7.166 4.903 6.071 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.566 4.437 3.761 1.00 0.00 C ATOM 215 CE1 TYR A 17 -7.187 6.315 5.790 1.00 0.00 C ATOM 216 CE2 TYR A 17 -7.587 5.849 3.480 1.00 0.00 C ATOM 217 CZ TYR A 17 -7.397 6.718 4.508 1.00 0.00 C ATOM 218 OH TYR A 17 -7.417 8.052 4.242 1.00 0.00 O ATOM 0 H TYR A 17 -8.017 0.083 5.105 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.967 2.333 6.806 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.576 2.295 6.109 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.032 1.957 4.451 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.002 4.556 7.080 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.715 3.725 2.963 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.039 7.038 6.579 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.750 6.210 2.475 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.606 8.469 4.601 1.00 0.00 H new ATOM 228 N SER A 18 -10.821 2.917 5.351 1.00 0.00 N ATOM 229 CA SER A 18 -11.934 3.334 4.514 1.00 0.00 C ATOM 230 C SER A 18 -12.065 4.858 4.539 1.00 0.00 C ATOM 231 O SER A 18 -11.754 5.495 5.545 1.00 0.00 O ATOM 232 CB SER A 18 -13.240 2.681 4.969 1.00 0.00 C ATOM 233 OG SER A 18 -13.412 2.758 6.381 1.00 0.00 O ATOM 0 H SER A 18 -10.932 3.126 6.343 1.00 0.00 H new ATOM 0 HA SER A 18 -11.734 3.010 3.493 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.080 3.168 4.474 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.250 1.636 4.659 1.00 0.00 H new ATOM 0 HG SER A 18 -14.258 2.332 6.631 1.00 0.00 H new ATOM 239 N SER A 19 -12.525 5.399 3.421 1.00 0.00 N ATOM 240 CA SER A 19 -12.702 6.837 3.303 1.00 0.00 C ATOM 241 C SER A 19 -13.276 7.182 1.927 1.00 0.00 C ATOM 242 O SER A 19 -12.607 7.008 0.910 1.00 0.00 O ATOM 243 CB SER A 19 -11.380 7.574 3.526 1.00 0.00 C ATOM 244 OG SER A 19 -11.533 8.696 4.391 1.00 0.00 O ATOM 0 H SER A 19 -12.781 4.868 2.589 1.00 0.00 H new ATOM 0 HA SER A 19 -13.402 7.160 4.073 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.649 6.886 3.951 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.985 7.907 2.567 1.00 0.00 H new ATOM 0 HG SER A 19 -10.667 9.138 4.509 1.00 0.00 H new ATOM 250 N VAL A 20 -14.510 7.664 1.941 1.00 0.00 N ATOM 251 CA VAL A 20 -15.183 8.035 0.708 1.00 0.00 C ATOM 252 C VAL A 20 -14.605 9.356 0.195 1.00 0.00 C ATOM 253 O VAL A 20 -15.327 10.343 0.063 1.00 0.00 O ATOM 254 CB VAL A 20 -16.695 8.091 0.932 1.00 0.00 C ATOM 255 CG1 VAL A 20 -17.214 6.767 1.497 1.00 0.00 C ATOM 256 CG2 VAL A 20 -17.071 9.261 1.843 1.00 0.00 C ATOM 0 H VAL A 20 -15.062 7.806 2.787 1.00 0.00 H new ATOM 0 HA VAL A 20 -15.011 7.283 -0.062 1.00 0.00 H new ATOM 0 HB VAL A 20 -17.172 8.253 -0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -18.292 6.833 1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -16.994 5.961 0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -16.727 6.562 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -18.151 9.278 1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -16.579 9.143 2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -16.751 10.197 1.384 1.00 0.00 H new ATOM 266 N GLU A 21 -13.310 9.331 -0.081 1.00 0.00 N ATOM 267 CA GLU A 21 -12.627 10.515 -0.577 1.00 0.00 C ATOM 268 C GLU A 21 -12.103 10.271 -1.993 1.00 0.00 C ATOM 269 O GLU A 21 -11.457 9.257 -2.254 1.00 0.00 O ATOM 270 CB GLU A 21 -11.494 10.929 0.364 1.00 0.00 C ATOM 271 CG GLU A 21 -12.030 11.742 1.544 1.00 0.00 C ATOM 272 CD GLU A 21 -11.365 13.119 1.608 1.00 0.00 C ATOM 273 OE1 GLU A 21 -10.308 13.208 2.270 1.00 0.00 O ATOM 274 OE2 GLU A 21 -11.928 14.050 0.994 1.00 0.00 O ATOM 0 H GLU A 21 -12.715 8.510 0.029 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.343 11.336 -0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.980 10.041 0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.759 11.518 -0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.109 11.860 1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.849 11.203 2.474 1.00 0.00 H new ATOM 281 N PRO A 22 -12.408 11.242 -2.894 1.00 0.00 N ATOM 282 CA PRO A 22 -11.974 11.143 -4.278 1.00 0.00 C ATOM 283 C PRO A 22 -10.480 11.444 -4.407 1.00 0.00 C ATOM 284 O PRO A 22 -10.078 12.270 -5.225 1.00 0.00 O ATOM 285 CB PRO A 22 -12.847 12.130 -5.035 1.00 0.00 C ATOM 286 CG PRO A 22 -13.411 13.077 -3.988 1.00 0.00 C ATOM 287 CD PRO A 22 -13.171 12.457 -2.622 1.00 0.00 C ATOM 0 HA PRO A 22 -12.088 10.138 -4.684 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.266 12.673 -5.780 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.647 11.615 -5.567 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -12.928 14.052 -4.055 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.476 13.237 -4.153 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.618 13.134 -1.972 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.111 12.230 -2.120 1.00 0.00 H new ATOM 295 N GLY A 23 -9.697 10.758 -3.587 1.00 0.00 N ATOM 296 CA GLY A 23 -8.256 10.942 -3.599 1.00 0.00 C ATOM 297 C GLY A 23 -7.562 9.894 -2.726 1.00 0.00 C ATOM 298 O GLY A 23 -6.499 9.390 -3.082 1.00 0.00 O ATOM 0 H GLY A 23 -10.034 10.074 -2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.885 10.872 -4.622 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.010 11.941 -3.239 1.00 0.00 H new ATOM 302 N ASP A 24 -8.193 9.599 -1.599 1.00 0.00 N ATOM 303 CA ASP A 24 -7.650 8.621 -0.672 1.00 0.00 C ATOM 304 C ASP A 24 -7.919 7.213 -1.206 1.00 0.00 C ATOM 305 O ASP A 24 -9.054 6.881 -1.547 1.00 0.00 O ATOM 306 CB ASP A 24 -8.310 8.738 0.703 1.00 0.00 C ATOM 307 CG ASP A 24 -8.143 10.097 1.387 1.00 0.00 C ATOM 308 OD1 ASP A 24 -8.974 10.985 1.095 1.00 0.00 O ATOM 309 OD2 ASP A 24 -7.190 10.218 2.185 1.00 0.00 O ATOM 0 H ASP A 24 -9.075 10.020 -1.307 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.580 8.807 -0.576 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.375 8.530 0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.898 7.967 1.354 1.00 0.00 H new ATOM 314 N LEU A 25 -6.857 6.422 -1.263 1.00 0.00 N ATOM 315 CA LEU A 25 -6.965 5.058 -1.751 1.00 0.00 C ATOM 316 C LEU A 25 -7.634 4.191 -0.683 1.00 0.00 C ATOM 317 O LEU A 25 -7.036 3.904 0.353 1.00 0.00 O ATOM 318 CB LEU A 25 -5.597 4.538 -2.196 1.00 0.00 C ATOM 319 CG LEU A 25 -5.600 3.217 -2.967 1.00 0.00 C ATOM 320 CD1 LEU A 25 -6.044 3.427 -4.416 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.236 2.529 -2.880 1.00 0.00 C ATOM 0 H LEU A 25 -5.918 6.700 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.599 5.020 -2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.127 5.298 -2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.971 4.418 -1.312 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.327 2.552 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.037 2.472 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.052 3.842 -4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.360 4.117 -4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.265 1.592 -3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.472 3.180 -3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.998 2.324 -1.836 1.00 0.00 H new ATOM 333 N THR A 26 -8.866 3.797 -0.971 1.00 0.00 N ATOM 334 CA THR A 26 -9.622 2.968 -0.049 1.00 0.00 C ATOM 335 C THR A 26 -9.237 1.497 -0.215 1.00 0.00 C ATOM 336 O THR A 26 -9.172 0.991 -1.334 1.00 0.00 O ATOM 337 CB THR A 26 -11.110 3.237 -0.282 1.00 0.00 C ATOM 338 OG1 THR A 26 -11.304 2.937 -1.662 1.00 0.00 O ATOM 339 CG2 THR A 26 -11.462 4.722 -0.170 1.00 0.00 C ATOM 0 H THR A 26 -9.359 4.037 -1.831 1.00 0.00 H new ATOM 0 HA THR A 26 -9.390 3.217 0.987 1.00 0.00 H new ATOM 0 HB THR A 26 -11.699 2.670 0.439 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.597 2.332 -1.968 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.530 4.857 -0.344 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.209 5.082 0.827 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.899 5.286 -0.913 1.00 0.00 H new ATOM 347 N PHE A 27 -8.992 0.851 0.916 1.00 0.00 N ATOM 348 CA PHE A 27 -8.615 -0.552 0.910 1.00 0.00 C ATOM 349 C PHE A 27 -8.948 -1.215 2.248 1.00 0.00 C ATOM 350 O PHE A 27 -9.435 -0.558 3.166 1.00 0.00 O ATOM 351 CB PHE A 27 -7.102 -0.608 0.689 1.00 0.00 C ATOM 352 CG PHE A 27 -6.299 0.262 1.658 1.00 0.00 C ATOM 353 CD1 PHE A 27 -5.980 -0.212 2.892 1.00 0.00 C ATOM 354 CD2 PHE A 27 -5.904 1.509 1.285 1.00 0.00 C ATOM 355 CE1 PHE A 27 -5.235 0.596 3.791 1.00 0.00 C ATOM 356 CE2 PHE A 27 -5.159 2.316 2.184 1.00 0.00 C ATOM 357 CZ PHE A 27 -4.840 1.843 3.419 1.00 0.00 C ATOM 0 H PHE A 27 -9.047 1.274 1.843 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.160 -1.080 0.128 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.769 -1.642 0.784 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.882 -0.295 -0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.293 -1.202 3.188 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.157 1.885 0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.982 0.220 4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.845 3.306 1.888 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.274 2.457 4.103 1.00 0.00 H new ATOM 367 N THR A 28 -8.671 -2.509 2.316 1.00 0.00 N ATOM 368 CA THR A 28 -8.935 -3.268 3.527 1.00 0.00 C ATOM 369 C THR A 28 -7.661 -3.966 4.007 1.00 0.00 C ATOM 370 O THR A 28 -6.662 -4.005 3.290 1.00 0.00 O ATOM 371 CB THR A 28 -10.085 -4.235 3.238 1.00 0.00 C ATOM 372 OG1 THR A 28 -9.835 -4.684 1.908 1.00 0.00 O ATOM 373 CG2 THR A 28 -11.437 -3.524 3.143 1.00 0.00 C ATOM 0 H THR A 28 -8.267 -3.051 1.552 1.00 0.00 H new ATOM 0 HA THR A 28 -9.238 -2.614 4.345 1.00 0.00 H new ATOM 0 HB THR A 28 -10.127 -4.993 4.020 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.533 -5.317 1.640 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.219 -4.255 2.937 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.650 -3.021 4.086 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.406 -2.789 2.338 1.00 0.00 H new ATOM 381 N GLU A 29 -7.737 -4.501 5.216 1.00 0.00 N ATOM 382 CA GLU A 29 -6.602 -5.196 5.801 1.00 0.00 C ATOM 383 C GLU A 29 -6.321 -6.491 5.035 1.00 0.00 C ATOM 384 O GLU A 29 -7.209 -7.328 4.877 1.00 0.00 O ATOM 385 CB GLU A 29 -6.837 -5.477 7.286 1.00 0.00 C ATOM 386 CG GLU A 29 -5.883 -6.559 7.797 1.00 0.00 C ATOM 387 CD GLU A 29 -6.625 -7.876 8.033 1.00 0.00 C ATOM 388 OE1 GLU A 29 -7.184 -8.398 7.045 1.00 0.00 O ATOM 389 OE2 GLU A 29 -6.616 -8.331 9.198 1.00 0.00 O ATOM 0 H GLU A 29 -8.567 -4.468 5.808 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.726 -4.552 5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.695 -4.561 7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.868 -5.794 7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.082 -6.713 7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.416 -6.229 8.725 1.00 0.00 H new ATOM 396 N GLY A 30 -5.083 -6.614 4.580 1.00 0.00 N ATOM 397 CA GLY A 30 -4.674 -7.793 3.835 1.00 0.00 C ATOM 398 C GLY A 30 -4.412 -7.450 2.367 1.00 0.00 C ATOM 399 O GLY A 30 -3.617 -8.114 1.703 1.00 0.00 O ATOM 0 H GLY A 30 -4.350 -5.917 4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.773 -8.214 4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.449 -8.556 3.901 1.00 0.00 H new ATOM 403 N GLU A 31 -5.096 -6.414 1.904 1.00 0.00 N ATOM 404 CA GLU A 31 -4.947 -5.975 0.526 1.00 0.00 C ATOM 405 C GLU A 31 -3.482 -5.657 0.226 1.00 0.00 C ATOM 406 O GLU A 31 -2.724 -5.297 1.126 1.00 0.00 O ATOM 407 CB GLU A 31 -5.841 -4.768 0.236 1.00 0.00 C ATOM 408 CG GLU A 31 -7.239 -5.213 -0.201 1.00 0.00 C ATOM 409 CD GLU A 31 -7.288 -5.458 -1.710 1.00 0.00 C ATOM 410 OE1 GLU A 31 -6.553 -4.745 -2.426 1.00 0.00 O ATOM 411 OE2 GLU A 31 -8.060 -6.355 -2.114 1.00 0.00 O ATOM 0 H GLU A 31 -5.754 -5.866 2.458 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.264 -6.786 -0.130 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.916 -4.144 1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.390 -4.156 -0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.517 -6.124 0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.969 -4.451 0.071 1.00 0.00 H new ATOM 418 N GLU A 32 -3.126 -5.801 -1.042 1.00 0.00 N ATOM 419 CA GLU A 32 -1.764 -5.533 -1.472 1.00 0.00 C ATOM 420 C GLU A 32 -1.690 -4.185 -2.193 1.00 0.00 C ATOM 421 O GLU A 32 -2.060 -4.081 -3.361 1.00 0.00 O ATOM 422 CB GLU A 32 -1.238 -6.660 -2.363 1.00 0.00 C ATOM 423 CG GLU A 32 -0.255 -7.550 -1.599 1.00 0.00 C ATOM 424 CD GLU A 32 0.039 -8.835 -2.375 1.00 0.00 C ATOM 425 OE1 GLU A 32 0.085 -8.747 -3.621 1.00 0.00 O ATOM 426 OE2 GLU A 32 0.211 -9.876 -1.705 1.00 0.00 O ATOM 0 H GLU A 32 -3.757 -6.100 -1.786 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.128 -5.486 -0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.072 -7.261 -2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.746 -6.237 -3.239 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.673 -7.006 -1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.668 -7.798 -0.621 1.00 0.00 H new ATOM 433 N ILE A 33 -1.210 -3.187 -1.466 1.00 0.00 N ATOM 434 CA ILE A 33 -1.083 -1.850 -2.022 1.00 0.00 C ATOM 435 C ILE A 33 0.338 -1.656 -2.553 1.00 0.00 C ATOM 436 O ILE A 33 1.310 -1.955 -1.861 1.00 0.00 O ATOM 437 CB ILE A 33 -1.503 -0.800 -0.991 1.00 0.00 C ATOM 438 CG1 ILE A 33 -2.963 -0.992 -0.577 1.00 0.00 C ATOM 439 CG2 ILE A 33 -1.235 0.614 -1.510 1.00 0.00 C ATOM 440 CD1 ILE A 33 -3.131 -0.822 0.935 1.00 0.00 C ATOM 0 H ILE A 33 -0.904 -3.277 -0.497 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.759 -1.723 -2.867 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.895 -0.936 -0.097 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.591 -0.270 -1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.302 -1.984 -0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.542 1.342 -0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.171 0.731 -1.715 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.801 0.778 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.178 -0.963 1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.521 -1.561 1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.814 0.180 1.226 1.00 0.00 H new ATOM 452 N LEU A 34 0.415 -1.158 -3.778 1.00 0.00 N ATOM 453 CA LEU A 34 1.701 -0.921 -4.411 1.00 0.00 C ATOM 454 C LEU A 34 2.047 0.566 -4.312 1.00 0.00 C ATOM 455 O LEU A 34 1.464 1.391 -5.015 1.00 0.00 O ATOM 456 CB LEU A 34 1.701 -1.458 -5.843 1.00 0.00 C ATOM 457 CG LEU A 34 3.052 -1.456 -6.561 1.00 0.00 C ATOM 458 CD1 LEU A 34 4.040 -2.401 -5.874 1.00 0.00 C ATOM 459 CD2 LEU A 34 2.885 -1.783 -8.046 1.00 0.00 C ATOM 0 H LEU A 34 -0.393 -0.912 -4.350 1.00 0.00 H new ATOM 0 HA LEU A 34 2.488 -1.467 -3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.322 -2.480 -5.826 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.999 -0.867 -6.431 1.00 0.00 H new ATOM 0 HG LEU A 34 3.470 -0.451 -6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.992 -2.380 -6.404 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.192 -2.082 -4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.641 -3.415 -5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.860 -1.775 -8.532 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.434 -2.770 -8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.241 -1.038 -8.512 1.00 0.00 H new ATOM 471 N VAL A 35 2.993 0.864 -3.435 1.00 0.00 N ATOM 472 CA VAL A 35 3.423 2.238 -3.235 1.00 0.00 C ATOM 473 C VAL A 35 4.418 2.621 -4.333 1.00 0.00 C ATOM 474 O VAL A 35 5.238 1.802 -4.746 1.00 0.00 O ATOM 475 CB VAL A 35 3.993 2.408 -1.826 1.00 0.00 C ATOM 476 CG1 VAL A 35 4.333 3.873 -1.545 1.00 0.00 C ATOM 477 CG2 VAL A 35 3.028 1.857 -0.774 1.00 0.00 C ATOM 0 H VAL A 35 3.475 0.178 -2.854 1.00 0.00 H new ATOM 0 HA VAL A 35 2.575 2.919 -3.312 1.00 0.00 H new ATOM 0 HB VAL A 35 4.917 1.833 -1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.736 3.966 -0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.074 4.219 -2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.431 4.479 -1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.457 1.990 0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.080 2.392 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.858 0.796 -0.956 1.00 0.00 H new ATOM 487 N THR A 36 4.314 3.866 -4.773 1.00 0.00 N ATOM 488 CA THR A 36 5.194 4.367 -5.815 1.00 0.00 C ATOM 489 C THR A 36 5.716 5.758 -5.448 1.00 0.00 C ATOM 490 O THR A 36 6.906 6.036 -5.592 1.00 0.00 O ATOM 491 CB THR A 36 4.427 4.335 -7.138 1.00 0.00 C ATOM 492 OG1 THR A 36 3.361 5.260 -6.944 1.00 0.00 O ATOM 493 CG2 THR A 36 3.723 2.998 -7.375 1.00 0.00 C ATOM 0 H THR A 36 3.634 4.543 -4.427 1.00 0.00 H new ATOM 0 HA THR A 36 6.079 3.739 -5.921 1.00 0.00 H new ATOM 0 HB THR A 36 5.114 4.533 -7.960 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.813 5.303 -7.756 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.194 3.029 -8.327 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.462 2.197 -7.396 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.011 2.814 -6.570 1.00 0.00 H new ATOM 501 N GLN A 37 4.801 6.594 -4.982 1.00 0.00 N ATOM 502 CA GLN A 37 5.153 7.949 -4.594 1.00 0.00 C ATOM 503 C GLN A 37 4.985 8.130 -3.084 1.00 0.00 C ATOM 504 O GLN A 37 3.912 7.872 -2.540 1.00 0.00 O ATOM 505 CB GLN A 37 4.320 8.975 -5.365 1.00 0.00 C ATOM 506 CG GLN A 37 5.219 9.989 -6.075 1.00 0.00 C ATOM 507 CD GLN A 37 4.417 11.213 -6.524 1.00 0.00 C ATOM 508 OE1 GLN A 37 4.214 11.456 -7.702 1.00 0.00 O ATOM 509 NE2 GLN A 37 3.975 11.967 -5.521 1.00 0.00 N ATOM 0 H GLN A 37 3.815 6.359 -4.864 1.00 0.00 H new ATOM 0 HA GLN A 37 6.200 8.117 -4.846 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.694 8.464 -6.096 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.651 9.495 -4.679 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.021 10.301 -5.406 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.689 9.521 -6.940 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.181 11.705 -4.557 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.430 12.807 -5.716 1.00 0.00 H new ATOM 518 N LYS A 38 6.061 8.571 -2.449 1.00 0.00 N ATOM 519 CA LYS A 38 6.046 8.789 -1.013 1.00 0.00 C ATOM 520 C LYS A 38 6.240 10.279 -0.725 1.00 0.00 C ATOM 521 O LYS A 38 7.355 10.791 -0.806 1.00 0.00 O ATOM 522 CB LYS A 38 7.075 7.891 -0.324 1.00 0.00 C ATOM 523 CG LYS A 38 6.928 6.438 -0.780 1.00 0.00 C ATOM 524 CD LYS A 38 7.734 5.497 0.118 1.00 0.00 C ATOM 525 CE LYS A 38 7.827 4.099 -0.497 1.00 0.00 C ATOM 526 NZ LYS A 38 8.911 4.045 -1.503 1.00 0.00 N ATOM 0 H LYS A 38 6.949 8.783 -2.903 1.00 0.00 H new ATOM 0 HA LYS A 38 5.080 8.506 -0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.081 8.246 -0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.949 7.951 0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.876 6.152 -0.761 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.267 6.341 -1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.736 5.900 0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.266 5.436 1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.012 3.363 0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.877 3.837 -0.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.521 3.741 -2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.338 4.988 -1.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.638 3.368 -1.194 1.00 0.00 H new ATOM 540 N ASP A 39 5.136 10.934 -0.396 1.00 0.00 N ATOM 541 CA ASP A 39 5.170 12.355 -0.096 1.00 0.00 C ATOM 542 C ASP A 39 4.843 12.568 1.383 1.00 0.00 C ATOM 543 O ASP A 39 3.682 12.494 1.783 1.00 0.00 O ATOM 544 CB ASP A 39 4.134 13.118 -0.924 1.00 0.00 C ATOM 545 CG ASP A 39 4.713 14.002 -2.030 1.00 0.00 C ATOM 546 OD1 ASP A 39 5.665 13.534 -2.691 1.00 0.00 O ATOM 547 OD2 ASP A 39 4.191 15.127 -2.189 1.00 0.00 O ATOM 0 H ASP A 39 4.212 10.506 -0.331 1.00 0.00 H new ATOM 0 HA ASP A 39 6.167 12.726 -0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.451 12.399 -1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.543 13.742 -0.253 1.00 0.00 H new ATOM 552 N GLY A 40 5.888 12.828 2.156 1.00 0.00 N ATOM 553 CA GLY A 40 5.726 13.052 3.582 1.00 0.00 C ATOM 554 C GLY A 40 5.422 11.742 4.312 1.00 0.00 C ATOM 555 O GLY A 40 6.010 10.705 4.006 1.00 0.00 O ATOM 0 H GLY A 40 6.850 12.888 1.821 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.634 13.497 3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.918 13.763 3.752 1.00 0.00 H new ATOM 559 N GLU A 41 4.504 11.831 5.263 1.00 0.00 N ATOM 560 CA GLU A 41 4.115 10.666 6.039 1.00 0.00 C ATOM 561 C GLU A 41 3.185 9.769 5.219 1.00 0.00 C ATOM 562 O GLU A 41 3.316 8.546 5.242 1.00 0.00 O ATOM 563 CB GLU A 41 3.457 11.079 7.357 1.00 0.00 C ATOM 564 CG GLU A 41 3.777 10.077 8.468 1.00 0.00 C ATOM 565 CD GLU A 41 2.498 9.591 9.153 1.00 0.00 C ATOM 566 OE1 GLU A 41 2.090 10.255 10.130 1.00 0.00 O ATOM 567 OE2 GLU A 41 1.957 8.566 8.684 1.00 0.00 O ATOM 0 H GLU A 41 4.018 12.692 5.514 1.00 0.00 H new ATOM 0 HA GLU A 41 5.014 10.099 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.805 12.071 7.646 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.377 11.146 7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.316 9.226 8.051 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.434 10.542 9.204 1.00 0.00 H new ATOM 574 N TRP A 42 2.265 10.412 4.514 1.00 0.00 N ATOM 575 CA TRP A 42 1.313 9.688 3.689 1.00 0.00 C ATOM 576 C TRP A 42 1.935 9.500 2.304 1.00 0.00 C ATOM 577 O TRP A 42 2.424 10.457 1.704 1.00 0.00 O ATOM 578 CB TRP A 42 -0.035 10.409 3.646 1.00 0.00 C ATOM 579 CG TRP A 42 -0.853 10.275 4.932 1.00 0.00 C ATOM 580 CD1 TRP A 42 -0.441 10.451 6.195 1.00 0.00 C ATOM 581 CD2 TRP A 42 -2.251 9.929 5.030 1.00 0.00 C ATOM 582 NE1 TRP A 42 -1.465 10.244 7.095 1.00 0.00 N ATOM 583 CE2 TRP A 42 -2.601 9.916 6.364 1.00 0.00 C ATOM 584 CE3 TRP A 42 -3.188 9.636 4.023 1.00 0.00 C ATOM 585 CZ2 TRP A 42 -3.892 9.616 6.815 1.00 0.00 C ATOM 586 CZ3 TRP A 42 -4.474 9.338 4.490 1.00 0.00 C ATOM 587 CH2 TRP A 42 -4.843 9.321 5.830 1.00 0.00 C ATOM 0 H TRP A 42 2.159 11.426 4.497 1.00 0.00 H new ATOM 0 HA TRP A 42 1.104 8.706 4.113 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.136 11.467 3.445 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.619 10.017 2.813 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.567 10.721 6.473 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.401 10.318 8.110 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.936 9.640 2.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.141 9.612 7.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.233 9.105 3.757 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.858 9.081 6.110 1.00 0.00 H new ATOM 598 N TRP A 43 1.897 8.262 1.836 1.00 0.00 N ATOM 599 CA TRP A 43 2.451 7.937 0.532 1.00 0.00 C ATOM 600 C TRP A 43 1.291 7.574 -0.397 1.00 0.00 C ATOM 601 O TRP A 43 0.193 7.268 0.065 1.00 0.00 O ATOM 602 CB TRP A 43 3.498 6.827 0.643 1.00 0.00 C ATOM 603 CG TRP A 43 4.512 7.038 1.769 1.00 0.00 C ATOM 604 CD1 TRP A 43 4.960 8.197 2.269 1.00 0.00 C ATOM 605 CD2 TRP A 43 5.189 6.008 2.520 1.00 0.00 C ATOM 606 NE1 TRP A 43 5.874 7.992 3.283 1.00 0.00 N ATOM 607 CE2 TRP A 43 6.017 6.618 3.440 1.00 0.00 C ATOM 608 CE3 TRP A 43 5.105 4.608 2.425 1.00 0.00 C ATOM 609 CZ2 TRP A 43 6.824 5.906 4.336 1.00 0.00 C ATOM 610 CZ3 TRP A 43 5.918 3.911 3.326 1.00 0.00 C ATOM 611 CH2 TRP A 43 6.757 4.509 4.259 1.00 0.00 C ATOM 0 H TRP A 43 1.491 7.471 2.336 1.00 0.00 H new ATOM 0 HA TRP A 43 2.978 8.794 0.112 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.989 5.876 0.800 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.033 6.750 -0.304 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.645 9.170 1.922 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.355 8.715 3.818 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.464 4.110 1.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.463 6.407 5.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.892 2.832 3.294 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.354 3.900 4.921 1.00 0.00 H new ATOM 622 N THR A 44 1.575 7.619 -1.691 1.00 0.00 N ATOM 623 CA THR A 44 0.569 7.299 -2.689 1.00 0.00 C ATOM 624 C THR A 44 0.635 5.815 -3.056 1.00 0.00 C ATOM 625 O THR A 44 1.635 5.351 -3.601 1.00 0.00 O ATOM 626 CB THR A 44 0.776 8.230 -3.885 1.00 0.00 C ATOM 627 OG1 THR A 44 0.230 9.474 -3.455 1.00 0.00 O ATOM 628 CG2 THR A 44 -0.087 7.841 -5.087 1.00 0.00 C ATOM 0 H THR A 44 2.487 7.872 -2.071 1.00 0.00 H new ATOM 0 HA THR A 44 -0.437 7.462 -2.302 1.00 0.00 H new ATOM 0 HB THR A 44 1.827 8.220 -4.174 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.324 10.137 -4.170 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.099 8.534 -5.908 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.164 6.829 -5.403 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.140 7.883 -4.808 1.00 0.00 H new ATOM 636 N GLY A 45 -0.443 5.112 -2.742 1.00 0.00 N ATOM 637 CA GLY A 45 -0.520 3.690 -3.032 1.00 0.00 C ATOM 638 C GLY A 45 -1.429 3.424 -4.234 1.00 0.00 C ATOM 639 O GLY A 45 -2.173 4.306 -4.661 1.00 0.00 O ATOM 0 H GLY A 45 -1.271 5.500 -2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.478 3.302 -3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.899 3.157 -2.160 1.00 0.00 H new ATOM 643 N SER A 46 -1.340 2.205 -4.744 1.00 0.00 N ATOM 644 CA SER A 46 -2.146 1.811 -5.888 1.00 0.00 C ATOM 645 C SER A 46 -2.685 0.394 -5.685 1.00 0.00 C ATOM 646 O SER A 46 -2.083 -0.407 -4.972 1.00 0.00 O ATOM 647 CB SER A 46 -1.337 1.891 -7.184 1.00 0.00 C ATOM 648 OG SER A 46 -0.602 3.108 -7.281 1.00 0.00 O ATOM 0 H SER A 46 -0.722 1.476 -4.386 1.00 0.00 H new ATOM 0 HA SER A 46 -2.984 2.503 -5.971 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.649 1.047 -7.234 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.010 1.805 -8.037 1.00 0.00 H new ATOM 0 HG SER A 46 -0.098 3.120 -8.121 1.00 0.00 H new ATOM 654 N ILE A 47 -3.814 0.128 -6.325 1.00 0.00 N ATOM 655 CA ILE A 47 -4.441 -1.179 -6.224 1.00 0.00 C ATOM 656 C ILE A 47 -4.958 -1.600 -7.601 1.00 0.00 C ATOM 657 O ILE A 47 -5.919 -1.025 -8.110 1.00 0.00 O ATOM 658 CB ILE A 47 -5.519 -1.173 -5.138 1.00 0.00 C ATOM 659 CG1 ILE A 47 -4.894 -1.080 -3.745 1.00 0.00 C ATOM 660 CG2 ILE A 47 -6.440 -2.388 -5.273 1.00 0.00 C ATOM 661 CD1 ILE A 47 -5.959 -0.792 -2.685 1.00 0.00 C ATOM 0 H ILE A 47 -4.311 0.795 -6.915 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.712 -1.928 -5.914 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.136 -0.284 -5.274 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.383 -2.013 -3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.141 -0.292 -3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.197 -2.360 -4.489 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.926 -2.369 -6.248 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.853 -3.302 -5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.488 -0.731 -1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.451 0.154 -2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.697 -1.594 -2.684 1.00 0.00 H new ATOM 673 N GLY A 48 -4.297 -2.600 -8.166 1.00 0.00 N ATOM 674 CA GLY A 48 -4.677 -3.104 -9.474 1.00 0.00 C ATOM 675 C GLY A 48 -4.426 -2.056 -10.560 1.00 0.00 C ATOM 676 O GLY A 48 -3.587 -2.256 -11.438 1.00 0.00 O ATOM 0 H GLY A 48 -3.500 -3.075 -7.741 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.110 -4.008 -9.698 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.731 -3.382 -9.468 1.00 0.00 H new ATOM 680 N ASP A 49 -5.167 -0.963 -10.466 1.00 0.00 N ATOM 681 CA ASP A 49 -5.035 0.117 -11.429 1.00 0.00 C ATOM 682 C ASP A 49 -5.635 1.396 -10.841 1.00 0.00 C ATOM 683 O ASP A 49 -6.112 2.257 -11.578 1.00 0.00 O ATOM 684 CB ASP A 49 -5.785 -0.205 -12.723 1.00 0.00 C ATOM 685 CG ASP A 49 -5.105 0.285 -14.003 1.00 0.00 C ATOM 686 OD1 ASP A 49 -4.005 -0.232 -14.296 1.00 0.00 O ATOM 687 OD2 ASP A 49 -5.701 1.166 -14.660 1.00 0.00 O ATOM 0 H ASP A 49 -5.862 -0.801 -9.737 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.975 0.245 -11.648 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.917 -1.285 -12.790 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.781 0.235 -12.667 1.00 0.00 H new ATOM 692 N ARG A 50 -5.592 1.478 -9.519 1.00 0.00 N ATOM 693 CA ARG A 50 -6.125 2.637 -8.824 1.00 0.00 C ATOM 694 C ARG A 50 -4.990 3.450 -8.199 1.00 0.00 C ATOM 695 O ARG A 50 -3.855 2.982 -8.123 1.00 0.00 O ATOM 696 CB ARG A 50 -7.107 2.218 -7.728 1.00 0.00 C ATOM 697 CG ARG A 50 -8.021 1.091 -8.212 1.00 0.00 C ATOM 698 CD ARG A 50 -8.655 0.354 -7.030 1.00 0.00 C ATOM 699 NE ARG A 50 -10.076 0.059 -7.322 1.00 0.00 N ATOM 700 CZ ARG A 50 -10.771 -0.929 -6.744 1.00 0.00 C ATOM 701 NH1 ARG A 50 -10.182 -1.724 -5.840 1.00 0.00 N ATOM 702 NH2 ARG A 50 -12.057 -1.124 -7.069 1.00 0.00 N ATOM 0 H ARG A 50 -5.196 0.761 -8.911 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.654 3.248 -9.556 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.556 1.891 -6.847 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.709 3.075 -7.427 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.803 1.501 -8.851 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.449 0.389 -8.819 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.115 -0.573 -6.836 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.579 0.962 -6.128 1.00 0.00 H new ATOM 0 HE ARG A 50 -10.555 0.645 -8.006 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -9.204 -1.577 -5.592 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.712 -2.476 -5.400 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.506 -0.520 -7.757 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.586 -1.877 -6.628 1.00 0.00 H new ATOM 716 N SER A 51 -5.335 4.655 -7.768 1.00 0.00 N ATOM 717 CA SER A 51 -4.359 5.537 -7.152 1.00 0.00 C ATOM 718 C SER A 51 -5.020 6.354 -6.040 1.00 0.00 C ATOM 719 O SER A 51 -6.245 6.432 -5.967 1.00 0.00 O ATOM 720 CB SER A 51 -3.725 6.467 -8.189 1.00 0.00 C ATOM 721 OG SER A 51 -3.349 7.720 -7.623 1.00 0.00 O ATOM 0 H SER A 51 -6.277 5.041 -7.833 1.00 0.00 H new ATOM 0 HA SER A 51 -3.567 4.924 -6.722 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.847 5.985 -8.619 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.429 6.634 -9.005 1.00 0.00 H new ATOM 0 HG SER A 51 -2.947 8.284 -8.316 1.00 0.00 H new ATOM 727 N GLY A 52 -4.179 6.942 -5.201 1.00 0.00 N ATOM 728 CA GLY A 52 -4.667 7.750 -4.097 1.00 0.00 C ATOM 729 C GLY A 52 -3.626 7.835 -2.978 1.00 0.00 C ATOM 730 O GLY A 52 -2.506 7.351 -3.130 1.00 0.00 O ATOM 0 H GLY A 52 -3.163 6.875 -5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.906 8.752 -4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.590 7.321 -3.708 1.00 0.00 H new ATOM 734 N ILE A 53 -4.034 8.454 -1.880 1.00 0.00 N ATOM 735 CA ILE A 53 -3.150 8.609 -0.737 1.00 0.00 C ATOM 736 C ILE A 53 -3.608 7.676 0.386 1.00 0.00 C ATOM 737 O ILE A 53 -4.760 7.243 0.407 1.00 0.00 O ATOM 738 CB ILE A 53 -3.067 10.078 -0.319 1.00 0.00 C ATOM 739 CG1 ILE A 53 -4.423 10.586 0.175 1.00 0.00 C ATOM 740 CG2 ILE A 53 -2.511 10.940 -1.454 1.00 0.00 C ATOM 741 CD1 ILE A 53 -4.264 11.870 0.992 1.00 0.00 C ATOM 0 H ILE A 53 -4.964 8.854 -1.757 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.133 8.318 -1.000 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.371 10.156 0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.078 10.771 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.902 9.820 0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.462 11.980 -1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.511 10.595 -1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.163 10.861 -2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.243 12.209 1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.629 11.675 1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.807 12.641 0.372 1.00 0.00 H new ATOM 753 N PHE A 54 -2.683 7.393 1.291 1.00 0.00 N ATOM 754 CA PHE A 54 -2.978 6.519 2.414 1.00 0.00 C ATOM 755 C PHE A 54 -1.953 6.702 3.535 1.00 0.00 C ATOM 756 O PHE A 54 -0.870 7.240 3.309 1.00 0.00 O ATOM 757 CB PHE A 54 -2.897 5.082 1.895 1.00 0.00 C ATOM 758 CG PHE A 54 -1.473 4.607 1.596 1.00 0.00 C ATOM 759 CD1 PHE A 54 -0.658 4.218 2.612 1.00 0.00 C ATOM 760 CD2 PHE A 54 -1.023 4.575 0.313 1.00 0.00 C ATOM 761 CE1 PHE A 54 0.663 3.778 2.334 1.00 0.00 C ATOM 762 CE2 PHE A 54 0.298 4.135 0.035 1.00 0.00 C ATOM 763 CZ PHE A 54 1.113 3.745 1.051 1.00 0.00 C ATOM 0 H PHE A 54 -1.729 7.753 1.270 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.963 6.751 2.818 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.344 4.415 2.632 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.494 5.000 0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.015 4.244 3.631 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.670 4.884 -0.494 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.311 3.469 3.141 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.656 4.110 -0.984 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.117 3.409 0.839 1.00 0.00 H new ATOM 773 N PRO A 55 -2.341 6.233 4.751 1.00 0.00 N ATOM 774 CA PRO A 55 -1.468 6.340 5.908 1.00 0.00 C ATOM 775 C PRO A 55 -0.334 5.315 5.836 1.00 0.00 C ATOM 776 O PRO A 55 -0.583 4.111 5.797 1.00 0.00 O ATOM 777 CB PRO A 55 -2.379 6.135 7.108 1.00 0.00 C ATOM 778 CG PRO A 55 -3.632 5.463 6.570 1.00 0.00 C ATOM 779 CD PRO A 55 -3.616 5.591 5.056 1.00 0.00 C ATOM 0 HA PRO A 55 -0.964 7.305 5.967 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.897 5.514 7.863 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.619 7.086 7.583 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.659 4.414 6.864 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.525 5.933 6.983 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.693 4.616 4.575 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.455 6.189 4.700 1.00 0.00 H new ATOM 787 N SER A 56 0.886 5.830 5.820 1.00 0.00 N ATOM 788 CA SER A 56 2.059 4.975 5.754 1.00 0.00 C ATOM 789 C SER A 56 2.209 4.190 7.058 1.00 0.00 C ATOM 790 O SER A 56 3.051 3.299 7.157 1.00 0.00 O ATOM 791 CB SER A 56 3.322 5.793 5.478 1.00 0.00 C ATOM 792 OG SER A 56 3.704 6.580 6.603 1.00 0.00 O ATOM 0 H SER A 56 1.088 6.829 5.852 1.00 0.00 H new ATOM 0 HA SER A 56 1.925 4.274 4.930 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.138 5.121 5.211 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.152 6.444 4.621 1.00 0.00 H new ATOM 0 HG SER A 56 3.901 7.494 6.311 1.00 0.00 H new ATOM 798 N ASN A 57 1.379 4.549 8.026 1.00 0.00 N ATOM 799 CA ASN A 57 1.408 3.889 9.321 1.00 0.00 C ATOM 800 C ASN A 57 0.382 2.755 9.334 1.00 0.00 C ATOM 801 O ASN A 57 0.189 2.099 10.356 1.00 0.00 O ATOM 802 CB ASN A 57 1.050 4.864 10.444 1.00 0.00 C ATOM 803 CG ASN A 57 1.375 4.266 11.814 1.00 0.00 C ATOM 804 OD1 ASN A 57 2.171 3.350 11.947 1.00 0.00 O ATOM 805 ND2 ASN A 57 0.718 4.832 12.822 1.00 0.00 N ATOM 0 H ASN A 57 0.682 5.289 7.940 1.00 0.00 H new ATOM 0 HA ASN A 57 2.416 3.508 9.482 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.600 5.796 10.310 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.011 5.110 10.393 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.866 4.503 13.776 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.066 5.595 12.641 1.00 0.00 H new ATOM 812 N TYR A 58 -0.250 2.558 8.186 1.00 0.00 N ATOM 813 CA TYR A 58 -1.251 1.514 8.052 1.00 0.00 C ATOM 814 C TYR A 58 -0.852 0.506 6.973 1.00 0.00 C ATOM 815 O TYR A 58 -1.691 -0.249 6.483 1.00 0.00 O ATOM 816 CB TYR A 58 -2.540 2.219 7.624 1.00 0.00 C ATOM 817 CG TYR A 58 -3.264 2.938 8.763 1.00 0.00 C ATOM 818 CD1 TYR A 58 -2.604 3.898 9.503 1.00 0.00 C ATOM 819 CD2 TYR A 58 -4.578 2.628 9.052 1.00 0.00 C ATOM 820 CE1 TYR A 58 -3.285 4.576 10.576 1.00 0.00 C ATOM 821 CE2 TYR A 58 -5.259 3.305 10.124 1.00 0.00 C ATOM 822 CZ TYR A 58 -4.579 4.246 10.833 1.00 0.00 C ATOM 823 OH TYR A 58 -5.223 4.885 11.846 1.00 0.00 O ATOM 0 H TYR A 58 -0.088 3.104 7.340 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.364 0.968 8.989 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.304 2.942 6.843 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.215 1.484 7.185 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.576 4.141 9.277 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.095 1.877 8.473 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.780 5.329 11.163 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.287 3.071 10.360 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.141 4.549 11.914 1.00 0.00 H new ATOM 833 N VAL A 59 0.428 0.527 6.634 1.00 0.00 N ATOM 834 CA VAL A 59 0.949 -0.376 5.621 1.00 0.00 C ATOM 835 C VAL A 59 2.298 -0.931 6.083 1.00 0.00 C ATOM 836 O VAL A 59 3.094 -0.214 6.687 1.00 0.00 O ATOM 837 CB VAL A 59 1.028 0.341 4.272 1.00 0.00 C ATOM 838 CG1 VAL A 59 -0.319 0.965 3.903 1.00 0.00 C ATOM 839 CG2 VAL A 59 2.139 1.393 4.275 1.00 0.00 C ATOM 0 H VAL A 59 1.120 1.155 7.042 1.00 0.00 H new ATOM 0 HA VAL A 59 0.278 -1.224 5.485 1.00 0.00 H new ATOM 0 HB VAL A 59 1.272 -0.401 3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.235 1.468 2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.077 0.184 3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.606 1.688 4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.174 1.888 3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.939 2.131 5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.097 0.910 4.471 1.00 0.00 H new ATOM 849 N LYS A 60 2.512 -2.204 5.783 1.00 0.00 N ATOM 850 CA LYS A 60 3.751 -2.863 6.160 1.00 0.00 C ATOM 851 C LYS A 60 4.502 -3.290 4.898 1.00 0.00 C ATOM 852 O LYS A 60 3.894 -3.486 3.846 1.00 0.00 O ATOM 853 CB LYS A 60 3.471 -4.015 7.128 1.00 0.00 C ATOM 854 CG LYS A 60 2.811 -5.191 6.405 1.00 0.00 C ATOM 855 CD LYS A 60 2.978 -6.487 7.201 1.00 0.00 C ATOM 856 CE LYS A 60 3.575 -7.593 6.328 1.00 0.00 C ATOM 857 NZ LYS A 60 4.913 -7.981 6.827 1.00 0.00 N ATOM 0 H LYS A 60 1.849 -2.796 5.283 1.00 0.00 H new ATOM 0 HA LYS A 60 4.400 -2.173 6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.403 -4.343 7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.823 -3.669 7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.751 -4.984 6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.253 -5.308 5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.624 -6.309 8.061 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.011 -6.807 7.589 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.915 -8.460 6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.651 -7.249 5.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.304 -8.732 6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.545 -7.155 6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.832 -8.329 7.804 1.00 0.00 H new ATOM 871 N PRO A 61 5.847 -3.425 5.047 1.00 0.00 N ATOM 872 CA PRO A 61 6.687 -3.824 3.931 1.00 0.00 C ATOM 873 C PRO A 61 6.535 -5.318 3.637 1.00 0.00 C ATOM 874 O PRO A 61 6.886 -6.156 4.466 1.00 0.00 O ATOM 875 CB PRO A 61 8.099 -3.441 4.344 1.00 0.00 C ATOM 876 CG PRO A 61 8.059 -3.270 5.854 1.00 0.00 C ATOM 877 CD PRO A 61 6.600 -3.201 6.277 1.00 0.00 C ATOM 0 HA PRO A 61 6.411 -3.330 2.999 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.813 -4.213 4.057 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.413 -2.519 3.855 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.560 -4.104 6.346 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.585 -2.362 6.149 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.369 -3.958 7.026 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.361 -2.233 6.717 1.00 0.00 H new ATOM 885 N LYS A 62 6.011 -5.606 2.455 1.00 0.00 N ATOM 886 CA LYS A 62 5.808 -6.984 2.042 1.00 0.00 C ATOM 887 C LYS A 62 7.106 -7.769 2.243 1.00 0.00 C ATOM 888 O LYS A 62 7.991 -7.739 1.389 1.00 0.00 O ATOM 889 CB LYS A 62 5.270 -7.041 0.611 1.00 0.00 C ATOM 890 CG LYS A 62 4.161 -8.088 0.483 1.00 0.00 C ATOM 891 CD LYS A 62 3.305 -7.831 -0.759 1.00 0.00 C ATOM 892 CE LYS A 62 3.926 -8.481 -1.997 1.00 0.00 C ATOM 893 NZ LYS A 62 3.059 -8.277 -3.179 1.00 0.00 N ATOM 0 H LYS A 62 5.721 -4.908 1.770 1.00 0.00 H new ATOM 0 HA LYS A 62 5.048 -7.459 2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.886 -6.062 0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.081 -7.279 -0.077 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.601 -9.084 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.532 -8.068 1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.301 -8.226 -0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.204 -6.758 -0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.912 -8.054 -2.183 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.068 -9.548 -1.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.648 -8.055 -4.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.514 -9.144 -3.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.405 -7.489 -2.998 1.00 0.00 H new ATOM 907 N ASP A 63 7.178 -8.452 3.375 1.00 0.00 N ATOM 908 CA ASP A 63 8.353 -9.243 3.699 1.00 0.00 C ATOM 909 C ASP A 63 7.966 -10.722 3.759 1.00 0.00 C ATOM 910 O ASP A 63 8.543 -11.548 3.053 1.00 0.00 O ATOM 911 CB ASP A 63 8.924 -8.848 5.062 1.00 0.00 C ATOM 912 CG ASP A 63 10.386 -8.397 5.044 1.00 0.00 C ATOM 913 OD1 ASP A 63 11.119 -8.881 4.154 1.00 0.00 O ATOM 914 OD2 ASP A 63 10.738 -7.579 5.920 1.00 0.00 O ATOM 0 H ASP A 63 6.441 -8.474 4.080 1.00 0.00 H new ATOM 0 HA ASP A 63 9.103 -9.064 2.928 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.316 -8.043 5.474 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.830 -9.697 5.739 1.00 0.00 H new ATOM 919 N SER A 64 6.991 -11.012 4.608 1.00 0.00 N ATOM 920 CA SER A 64 6.520 -12.377 4.770 1.00 0.00 C ATOM 921 C SER A 64 5.751 -12.816 3.522 1.00 0.00 C ATOM 922 O SER A 64 4.586 -12.461 3.350 1.00 0.00 O ATOM 923 CB SER A 64 5.638 -12.512 6.013 1.00 0.00 C ATOM 924 OG SER A 64 5.396 -13.875 6.350 1.00 0.00 O ATOM 0 H SER A 64 6.514 -10.324 5.191 1.00 0.00 H new ATOM 0 HA SER A 64 7.387 -13.025 4.902 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.117 -12.010 6.854 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.688 -12.007 5.840 1.00 0.00 H new ATOM 0 HG SER A 64 4.831 -13.919 7.149 1.00 0.00 H new ATOM 930 N GLY A 65 6.433 -13.583 2.684 1.00 0.00 N ATOM 931 CA GLY A 65 5.828 -14.074 1.458 1.00 0.00 C ATOM 932 C GLY A 65 5.867 -15.603 1.402 1.00 0.00 C ATOM 933 O GLY A 65 6.880 -16.188 1.020 1.00 0.00 O ATOM 0 H GLY A 65 7.399 -13.876 2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.796 -13.730 1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.355 -13.661 0.598 1.00 0.00 H new ATOM 937 N PRO A 66 4.723 -16.222 1.797 1.00 0.00 N ATOM 938 CA PRO A 66 4.617 -17.671 1.795 1.00 0.00 C ATOM 939 C PRO A 66 4.455 -18.207 0.371 1.00 0.00 C ATOM 940 O PRO A 66 3.337 -18.338 -0.123 1.00 0.00 O ATOM 941 CB PRO A 66 3.424 -17.980 2.685 1.00 0.00 C ATOM 942 CG PRO A 66 2.627 -16.689 2.776 1.00 0.00 C ATOM 943 CD PRO A 66 3.504 -15.562 2.256 1.00 0.00 C ATOM 0 HA PRO A 66 5.516 -18.159 2.173 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.820 -18.783 2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 66 3.748 -18.309 3.672 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.712 -16.763 2.188 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.329 -16.496 3.807 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.016 -15.023 1.444 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.718 -14.834 3.038 1.00 0.00 H new ATOM 951 N SER A 67 5.589 -18.503 -0.247 1.00 0.00 N ATOM 952 CA SER A 67 5.587 -19.022 -1.605 1.00 0.00 C ATOM 953 C SER A 67 6.616 -20.146 -1.736 1.00 0.00 C ATOM 954 O SER A 67 7.612 -20.169 -1.015 1.00 0.00 O ATOM 955 CB SER A 67 5.879 -17.914 -2.618 1.00 0.00 C ATOM 956 OG SER A 67 5.590 -18.321 -3.953 1.00 0.00 O ATOM 0 H SER A 67 6.515 -18.394 0.167 1.00 0.00 H new ATOM 0 HA SER A 67 4.595 -19.420 -1.818 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.287 -17.032 -2.372 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.927 -17.624 -2.546 1.00 0.00 H new ATOM 0 HG SER A 67 5.788 -17.585 -4.569 1.00 0.00 H new ATOM 962 N SER A 68 6.340 -21.053 -2.663 1.00 0.00 N ATOM 963 CA SER A 68 7.229 -22.177 -2.898 1.00 0.00 C ATOM 964 C SER A 68 6.870 -22.860 -4.219 1.00 0.00 C ATOM 965 O SER A 68 5.778 -23.408 -4.363 1.00 0.00 O ATOM 966 CB SER A 68 7.163 -23.182 -1.746 1.00 0.00 C ATOM 967 OG SER A 68 5.854 -23.719 -1.580 1.00 0.00 O ATOM 0 H SER A 68 5.513 -21.031 -3.260 1.00 0.00 H new ATOM 0 HA SER A 68 8.250 -21.799 -2.957 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.867 -23.993 -1.932 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.475 -22.695 -0.822 1.00 0.00 H new ATOM 0 HG SER A 68 5.396 -23.739 -2.446 1.00 0.00 H new ATOM 973 N GLY A 69 7.810 -22.806 -5.151 1.00 0.00 N ATOM 974 CA GLY A 69 7.607 -23.413 -6.456 1.00 0.00 C ATOM 975 C GLY A 69 8.521 -22.776 -7.505 1.00 0.00 C ATOM 976 O GLY A 69 9.407 -21.993 -7.168 1.00 0.00 O ATOM 0 H GLY A 69 8.715 -22.351 -5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.805 -24.483 -6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.566 -23.297 -6.757 1.00 0.00 H new TER 980 GLY A 69