USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 439 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 CYS SG : rot -19:sc= -1.89! USER MOD Single : A 8 THR OG1 : rot 130:sc= 1.75 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 38:sc= 0.162 USER MOD Single : A 17 HIS : no HD1:sc= -0.54 X(o=-0.54,f=-0.54) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0.183 X(o=0.18,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -140:sc= 0.722 (180deg=0.0436) USER MOD Single : A 55 SER OG : rot 180:sc= 0.00641 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.412 X(o=-0.41,f=0) USER MOD ----------------------------------------------------------------- ATOM 31 N GLY A 3 -0.207 10.967 9.009 1.00 0.00 N ATOM 32 CA GLY A 3 -1.414 10.869 8.171 1.00 0.00 C ATOM 33 C GLY A 3 -1.155 10.199 6.823 1.00 0.00 C ATOM 34 O GLY A 3 -1.906 10.412 5.867 1.00 0.00 O ATOM 0 HA2 GLY A 3 -2.178 10.307 8.709 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.814 11.869 8.002 1.00 0.00 H new ATOM 38 N ALA A 4 -0.099 9.359 6.773 1.00 0.00 N ATOM 39 CA ALA A 4 0.391 8.728 5.534 1.00 0.00 C ATOM 40 C ALA A 4 -0.529 7.568 5.101 1.00 0.00 C ATOM 41 O ALA A 4 -0.332 6.411 5.498 1.00 0.00 O ATOM 42 CB ALA A 4 1.853 8.271 5.717 1.00 0.00 C ATOM 0 H ALA A 4 0.440 9.099 7.599 1.00 0.00 H new ATOM 0 HA ALA A 4 0.369 9.463 4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.207 7.806 4.797 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.477 9.133 5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.910 7.550 6.533 1.00 0.00 H new ATOM 48 N ARG A 5 -1.572 7.917 4.336 1.00 0.00 N ATOM 49 CA ARG A 5 -2.557 6.968 3.791 1.00 0.00 C ATOM 50 C ARG A 5 -2.381 6.861 2.267 1.00 0.00 C ATOM 51 O ARG A 5 -1.939 7.819 1.615 1.00 0.00 O ATOM 52 CB ARG A 5 -3.999 7.459 4.102 1.00 0.00 C ATOM 53 CG ARG A 5 -4.300 7.697 5.598 1.00 0.00 C ATOM 54 CD ARG A 5 -5.721 8.241 5.831 1.00 0.00 C ATOM 55 NE ARG A 5 -5.978 8.558 7.257 1.00 0.00 N ATOM 56 CZ ARG A 5 -6.926 9.399 7.707 1.00 0.00 C ATOM 57 NH1 ARG A 5 -7.740 10.028 6.863 1.00 0.00 N ATOM 58 NH2 ARG A 5 -7.050 9.613 9.010 1.00 0.00 N ATOM 0 H ARG A 5 -1.760 8.884 4.073 1.00 0.00 H new ATOM 0 HA ARG A 5 -2.399 5.993 4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -4.175 8.388 3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.707 6.725 3.717 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.178 6.761 6.144 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -3.573 8.400 6.005 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -5.867 9.139 5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -6.449 7.506 5.488 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.388 8.101 7.952 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -7.650 9.875 5.858 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -8.454 10.663 7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -6.428 9.141 9.666 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -7.767 10.250 9.356 1.00 0.00 H new ATOM 72 N CYS A 6 -2.740 5.694 1.715 1.00 0.00 N ATOM 73 CA CYS A 6 -2.803 5.470 0.266 1.00 0.00 C ATOM 74 C CYS A 6 -3.719 4.272 -0.019 1.00 0.00 C ATOM 75 O CYS A 6 -3.708 3.295 0.730 1.00 0.00 O ATOM 76 CB CYS A 6 -1.392 5.230 -0.315 1.00 0.00 C ATOM 77 SG CYS A 6 -0.551 3.785 0.360 1.00 0.00 S ATOM 0 H CYS A 6 -2.996 4.874 2.265 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.211 6.358 -0.217 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.471 5.118 -1.396 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.780 6.113 -0.129 1.00 0.00 H new ATOM 0 HG CYS A 6 -1.110 3.443 1.483 1.00 0.00 H new ATOM 83 N ARG A 7 -4.529 4.365 -1.085 1.00 0.00 N ATOM 84 CA ARG A 7 -5.427 3.277 -1.517 1.00 0.00 C ATOM 85 C ARG A 7 -4.952 2.729 -2.862 1.00 0.00 C ATOM 86 O ARG A 7 -4.738 3.509 -3.793 1.00 0.00 O ATOM 87 CB ARG A 7 -6.884 3.783 -1.652 1.00 0.00 C ATOM 88 CG ARG A 7 -7.920 2.654 -1.885 1.00 0.00 C ATOM 89 CD ARG A 7 -9.299 3.169 -2.326 1.00 0.00 C ATOM 90 NE ARG A 7 -9.259 3.742 -3.689 1.00 0.00 N ATOM 91 CZ ARG A 7 -9.796 4.908 -4.062 1.00 0.00 C ATOM 92 NH1 ARG A 7 -10.378 5.715 -3.185 1.00 0.00 N ATOM 93 NH2 ARG A 7 -9.712 5.283 -5.324 1.00 0.00 N ATOM 0 H ARG A 7 -4.582 5.196 -1.674 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.403 2.489 -0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.154 4.330 -0.749 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.938 4.489 -2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.537 1.971 -2.643 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.032 2.080 -0.966 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.019 2.352 -2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.647 3.926 -1.623 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.779 3.200 -4.408 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.423 5.451 -2.201 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.780 6.600 -3.495 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.241 4.685 -6.003 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.118 6.171 -5.620 1.00 0.00 H new ATOM 107 N THR A 8 -4.822 1.404 -2.969 1.00 0.00 N ATOM 108 CA THR A 8 -4.352 0.744 -4.192 1.00 0.00 C ATOM 109 C THR A 8 -5.362 0.913 -5.350 1.00 0.00 C ATOM 110 O THR A 8 -6.579 0.854 -5.146 1.00 0.00 O ATOM 111 CB THR A 8 -4.060 -0.760 -3.920 1.00 0.00 C ATOM 112 OG1 THR A 8 -5.223 -1.385 -3.364 1.00 0.00 O ATOM 113 CG2 THR A 8 -2.880 -0.939 -2.947 1.00 0.00 C ATOM 0 H THR A 8 -5.039 0.758 -2.211 1.00 0.00 H new ATOM 0 HA THR A 8 -3.423 1.225 -4.498 1.00 0.00 H new ATOM 0 HB THR A 8 -3.798 -1.225 -4.870 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.422 -2.206 -3.860 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.704 -2.002 -2.780 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.985 -0.486 -3.373 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.114 -0.456 -1.998 1.00 0.00 H new ATOM 121 N LEU A 9 -4.829 1.160 -6.552 1.00 0.00 N ATOM 122 CA LEU A 9 -5.614 1.368 -7.783 1.00 0.00 C ATOM 123 C LEU A 9 -5.682 0.068 -8.597 1.00 0.00 C ATOM 124 O LEU A 9 -6.585 -0.117 -9.417 1.00 0.00 O ATOM 125 CB LEU A 9 -4.962 2.501 -8.615 1.00 0.00 C ATOM 126 CG LEU A 9 -4.879 3.881 -7.898 1.00 0.00 C ATOM 127 CD1 LEU A 9 -4.090 4.905 -8.741 1.00 0.00 C ATOM 128 CD2 LEU A 9 -6.296 4.392 -7.526 1.00 0.00 C ATOM 0 H LEU A 9 -3.822 1.223 -6.704 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.633 1.656 -7.523 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.955 2.192 -8.894 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.526 2.623 -9.540 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.326 3.751 -6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.050 5.858 -8.213 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.077 4.538 -8.904 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.585 5.043 -9.702 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.215 5.357 -7.026 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.893 4.501 -8.432 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.777 3.677 -6.859 1.00 0.00 H new ATOM 140 N TYR A 10 -4.705 -0.826 -8.358 1.00 0.00 N ATOM 141 CA TYR A 10 -4.567 -2.108 -9.073 1.00 0.00 C ATOM 142 C TYR A 10 -4.352 -3.247 -8.055 1.00 0.00 C ATOM 143 O TYR A 10 -3.836 -2.992 -6.956 1.00 0.00 O ATOM 144 CB TYR A 10 -3.364 -2.040 -10.058 1.00 0.00 C ATOM 145 CG TYR A 10 -3.516 -0.981 -11.159 1.00 0.00 C ATOM 146 CD1 TYR A 10 -4.313 -1.220 -12.285 1.00 0.00 C ATOM 147 CD2 TYR A 10 -2.880 0.261 -11.066 1.00 0.00 C ATOM 148 CE1 TYR A 10 -4.460 -0.264 -13.272 1.00 0.00 C ATOM 149 CE2 TYR A 10 -3.026 1.214 -12.051 1.00 0.00 C ATOM 150 CZ TYR A 10 -3.817 0.950 -13.148 1.00 0.00 C ATOM 151 OH TYR A 10 -3.958 1.901 -14.129 1.00 0.00 O ATOM 0 H TYR A 10 -3.981 -0.677 -7.655 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.476 -2.302 -9.642 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.456 -1.833 -9.492 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.233 -3.017 -10.524 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.822 -2.168 -12.384 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.263 0.477 -10.206 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.075 -0.466 -14.136 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.522 2.165 -11.963 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.442 2.698 -13.888 1.00 0.00 H new ATOM 161 N PRO A 11 -4.772 -4.514 -8.383 1.00 0.00 N ATOM 162 CA PRO A 11 -4.416 -5.697 -7.575 1.00 0.00 C ATOM 163 C PRO A 11 -2.940 -6.110 -7.799 1.00 0.00 C ATOM 164 O PRO A 11 -2.294 -5.670 -8.763 1.00 0.00 O ATOM 165 CB PRO A 11 -5.407 -6.781 -8.070 1.00 0.00 C ATOM 166 CG PRO A 11 -5.693 -6.402 -9.491 1.00 0.00 C ATOM 167 CD PRO A 11 -5.645 -4.882 -9.534 1.00 0.00 C ATOM 0 HA PRO A 11 -4.493 -5.522 -6.502 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.971 -7.778 -8.005 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.317 -6.791 -7.470 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.956 -6.835 -10.167 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.669 -6.771 -9.805 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.234 -4.523 -10.477 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.640 -4.449 -9.434 1.00 0.00 H new ATOM 175 N PHE A 12 -2.427 -6.949 -6.891 1.00 0.00 N ATOM 176 CA PHE A 12 -1.055 -7.459 -6.942 1.00 0.00 C ATOM 177 C PHE A 12 -1.054 -8.812 -7.673 1.00 0.00 C ATOM 178 O PHE A 12 -1.482 -9.830 -7.110 1.00 0.00 O ATOM 179 CB PHE A 12 -0.462 -7.598 -5.503 1.00 0.00 C ATOM 180 CG PHE A 12 0.992 -8.077 -5.474 1.00 0.00 C ATOM 181 CD1 PHE A 12 2.011 -7.292 -6.016 1.00 0.00 C ATOM 182 CD2 PHE A 12 1.346 -9.307 -4.907 1.00 0.00 C ATOM 183 CE1 PHE A 12 3.328 -7.723 -6.002 1.00 0.00 C ATOM 184 CE2 PHE A 12 2.664 -9.731 -4.894 1.00 0.00 C ATOM 185 CZ PHE A 12 3.654 -8.938 -5.437 1.00 0.00 C ATOM 0 H PHE A 12 -2.960 -7.295 -6.093 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.424 -6.756 -7.486 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.526 -6.633 -5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.076 -8.296 -4.934 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.769 -6.334 -6.453 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.581 -9.934 -4.474 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.101 -7.106 -6.435 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.918 -10.686 -4.457 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.682 -9.268 -5.420 1.00 0.00 H new ATOM 195 N SER A 13 -0.621 -8.794 -8.945 1.00 0.00 N ATOM 196 CA SER A 13 -0.443 -10.006 -9.750 1.00 0.00 C ATOM 197 C SER A 13 0.750 -10.813 -9.203 1.00 0.00 C ATOM 198 O SER A 13 1.874 -10.289 -9.118 1.00 0.00 O ATOM 199 CB SER A 13 -0.226 -9.624 -11.235 1.00 0.00 C ATOM 200 OG SER A 13 0.836 -8.692 -11.385 1.00 0.00 O ATOM 0 H SER A 13 -0.385 -7.935 -9.441 1.00 0.00 H new ATOM 0 HA SER A 13 -1.337 -10.626 -9.688 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.008 -10.521 -11.814 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.144 -9.199 -11.640 1.00 0.00 H new ATOM 0 HG SER A 13 1.551 -8.905 -10.749 1.00 0.00 H new ATOM 206 N GLY A 14 0.478 -12.059 -8.785 1.00 0.00 N ATOM 207 CA GLY A 14 1.500 -12.949 -8.240 1.00 0.00 C ATOM 208 C GLY A 14 0.948 -14.315 -7.877 1.00 0.00 C ATOM 209 O GLY A 14 -0.244 -14.586 -8.068 1.00 0.00 O ATOM 0 H GLY A 14 -0.454 -12.471 -8.817 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.301 -13.067 -8.970 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.940 -12.492 -7.354 1.00 0.00 H new ATOM 213 N GLU A 15 1.825 -15.182 -7.350 1.00 0.00 N ATOM 214 CA GLU A 15 1.452 -16.544 -6.915 1.00 0.00 C ATOM 215 C GLU A 15 0.870 -16.487 -5.479 1.00 0.00 C ATOM 216 O GLU A 15 0.952 -15.443 -4.820 1.00 0.00 O ATOM 217 CB GLU A 15 2.700 -17.481 -6.995 1.00 0.00 C ATOM 218 CG GLU A 15 2.373 -18.985 -6.947 1.00 0.00 C ATOM 219 CD GLU A 15 3.616 -19.883 -6.993 1.00 0.00 C ATOM 220 OE1 GLU A 15 4.093 -20.204 -8.106 1.00 0.00 O ATOM 221 OE2 GLU A 15 4.133 -20.260 -5.917 1.00 0.00 O ATOM 0 H GLU A 15 2.812 -14.963 -7.212 1.00 0.00 H new ATOM 0 HA GLU A 15 0.685 -16.951 -7.574 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.240 -17.269 -7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.372 -17.242 -6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.814 -19.198 -6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.723 -19.234 -7.786 1.00 0.00 H new ATOM 228 N ARG A 16 0.273 -17.605 -5.015 1.00 0.00 N ATOM 229 CA ARG A 16 -0.294 -17.723 -3.654 1.00 0.00 C ATOM 230 C ARG A 16 0.773 -17.419 -2.577 1.00 0.00 C ATOM 231 O ARG A 16 0.568 -16.554 -1.718 1.00 0.00 O ATOM 232 CB ARG A 16 -0.882 -19.143 -3.443 1.00 0.00 C ATOM 233 CG ARG A 16 -1.974 -19.548 -4.460 1.00 0.00 C ATOM 234 CD ARG A 16 -2.494 -20.977 -4.227 1.00 0.00 C ATOM 235 NE ARG A 16 -3.004 -21.164 -2.849 1.00 0.00 N ATOM 236 CZ ARG A 16 -4.294 -21.251 -2.488 1.00 0.00 C ATOM 237 NH1 ARG A 16 -5.263 -21.195 -3.396 1.00 0.00 N ATOM 238 NH2 ARG A 16 -4.609 -21.412 -1.221 1.00 0.00 N ATOM 0 H ARG A 16 0.170 -18.452 -5.574 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.093 -16.988 -3.553 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.070 -19.869 -3.494 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.300 -19.203 -2.438 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.806 -18.847 -4.394 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.572 -19.471 -5.470 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.289 -21.194 -4.940 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.692 -21.690 -4.417 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.310 -21.233 -2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.031 -21.084 -4.383 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.238 -21.263 -3.106 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.874 -21.470 -0.516 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.588 -21.478 -0.943 1.00 0.00 H new ATOM 252 N HIS A 17 1.895 -18.176 -2.633 1.00 0.00 N ATOM 253 CA HIS A 17 3.138 -17.911 -1.859 1.00 0.00 C ATOM 254 C HIS A 17 2.938 -18.103 -0.321 1.00 0.00 C ATOM 255 O HIS A 17 1.812 -18.322 0.154 1.00 0.00 O ATOM 256 CB HIS A 17 3.680 -16.488 -2.224 1.00 0.00 C ATOM 257 CG HIS A 17 5.080 -16.174 -1.736 1.00 0.00 C ATOM 258 ND1 HIS A 17 6.186 -16.777 -2.285 1.00 0.00 N ATOM 259 CD2 HIS A 17 5.485 -15.333 -0.752 1.00 0.00 C ATOM 260 CE1 HIS A 17 7.227 -16.293 -1.634 1.00 0.00 C ATOM 261 NE2 HIS A 17 6.852 -15.416 -0.692 1.00 0.00 N ATOM 0 H HIS A 17 1.966 -19.003 -3.226 1.00 0.00 H new ATOM 0 HA HIS A 17 3.888 -18.650 -2.140 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.660 -16.379 -3.308 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.997 -15.743 -1.816 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.851 -14.715 -0.133 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.252 -16.569 -1.835 1.00 0.00 H new ATOM 0 HE2 HIS A 17 7.465 -14.909 -0.054 1.00 0.00 H new ATOM 269 N GLY A 18 4.053 -18.065 0.441 1.00 0.00 N ATOM 270 CA GLY A 18 4.024 -18.183 1.900 1.00 0.00 C ATOM 271 C GLY A 18 3.432 -16.949 2.585 1.00 0.00 C ATOM 272 O GLY A 18 2.324 -17.012 3.144 1.00 0.00 O ATOM 0 H GLY A 18 4.991 -17.952 0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.441 -19.061 2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.038 -18.345 2.267 1.00 0.00 H new ATOM 276 N GLN A 19 4.167 -15.815 2.522 1.00 0.00 N ATOM 277 CA GLN A 19 3.774 -14.556 3.194 1.00 0.00 C ATOM 278 C GLN A 19 4.368 -13.326 2.472 1.00 0.00 C ATOM 279 O GLN A 19 5.462 -13.397 1.896 1.00 0.00 O ATOM 280 CB GLN A 19 4.227 -14.591 4.682 1.00 0.00 C ATOM 281 CG GLN A 19 3.824 -13.364 5.526 1.00 0.00 C ATOM 282 CD GLN A 19 4.217 -13.480 7.000 1.00 0.00 C ATOM 283 OE1 GLN A 19 5.306 -13.064 7.401 1.00 0.00 O ATOM 284 NE2 GLN A 19 3.342 -14.063 7.812 1.00 0.00 N ATOM 0 H GLN A 19 5.045 -15.747 2.007 1.00 0.00 H new ATOM 0 HA GLN A 19 2.688 -14.467 3.153 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.812 -15.484 5.149 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.312 -14.690 4.711 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.290 -12.474 5.103 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.745 -13.223 5.456 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.450 -14.396 7.446 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.562 -14.178 8.801 1.00 0.00 H new ATOM 293 N GLY A 20 3.624 -12.207 2.521 1.00 0.00 N ATOM 294 CA GLY A 20 4.050 -10.928 1.949 1.00 0.00 C ATOM 295 C GLY A 20 2.899 -9.932 1.916 1.00 0.00 C ATOM 296 O GLY A 20 1.803 -10.228 2.426 1.00 0.00 O ATOM 0 H GLY A 20 2.705 -12.170 2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.872 -10.519 2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.428 -11.086 0.939 1.00 0.00 H new ATOM 300 N LEU A 21 3.127 -8.740 1.322 1.00 0.00 N ATOM 301 CA LEU A 21 2.053 -7.754 1.130 1.00 0.00 C ATOM 302 C LEU A 21 1.373 -7.989 -0.231 1.00 0.00 C ATOM 303 O LEU A 21 1.985 -7.835 -1.297 1.00 0.00 O ATOM 304 CB LEU A 21 2.569 -6.295 1.244 1.00 0.00 C ATOM 305 CG LEU A 21 1.491 -5.176 1.022 1.00 0.00 C ATOM 306 CD1 LEU A 21 0.258 -5.371 1.930 1.00 0.00 C ATOM 307 CD2 LEU A 21 2.103 -3.764 1.206 1.00 0.00 C ATOM 0 H LEU A 21 4.038 -8.444 0.972 1.00 0.00 H new ATOM 0 HA LEU A 21 1.324 -7.891 1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.009 -6.160 2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.369 -6.153 0.517 1.00 0.00 H new ATOM 0 HG LEU A 21 1.147 -5.263 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.462 -4.574 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.204 -6.335 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.567 -5.342 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.332 -3.010 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.500 -3.668 2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.908 -3.619 0.485 1.00 0.00 H new ATOM 319 N ARG A 22 0.100 -8.385 -0.148 1.00 0.00 N ATOM 320 CA ARG A 22 -0.787 -8.615 -1.294 1.00 0.00 C ATOM 321 C ARG A 22 -2.010 -7.715 -1.125 1.00 0.00 C ATOM 322 O ARG A 22 -2.399 -7.382 0.008 1.00 0.00 O ATOM 323 CB ARG A 22 -1.224 -10.108 -1.372 1.00 0.00 C ATOM 324 CG ARG A 22 -0.067 -11.087 -1.657 1.00 0.00 C ATOM 325 CD ARG A 22 -0.497 -12.560 -1.630 1.00 0.00 C ATOM 326 NE ARG A 22 -1.539 -12.876 -2.623 1.00 0.00 N ATOM 327 CZ ARG A 22 -2.164 -14.060 -2.732 1.00 0.00 C ATOM 328 NH1 ARG A 22 -1.854 -15.071 -1.925 1.00 0.00 N ATOM 329 NH2 ARG A 22 -3.103 -14.218 -3.651 1.00 0.00 N ATOM 0 H ARG A 22 -0.357 -8.560 0.747 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.262 -8.381 -2.220 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.698 -10.387 -0.431 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.977 -10.215 -2.153 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.361 -10.859 -2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.721 -10.932 -0.920 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.374 -13.190 -1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.866 -12.807 -0.634 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.806 -12.140 -3.277 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.134 -14.952 -1.212 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.337 -15.965 -2.019 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.347 -13.444 -4.269 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.583 -15.114 -3.741 1.00 0.00 H new ATOM 343 N PHE A 23 -2.615 -7.333 -2.254 1.00 0.00 N ATOM 344 CA PHE A 23 -3.746 -6.399 -2.281 1.00 0.00 C ATOM 345 C PHE A 23 -4.592 -6.587 -3.552 1.00 0.00 C ATOM 346 O PHE A 23 -4.108 -7.077 -4.566 1.00 0.00 O ATOM 347 CB PHE A 23 -3.233 -4.930 -2.154 1.00 0.00 C ATOM 348 CG PHE A 23 -2.059 -4.556 -3.077 1.00 0.00 C ATOM 349 CD1 PHE A 23 -2.264 -4.193 -4.413 1.00 0.00 C ATOM 350 CD2 PHE A 23 -0.742 -4.547 -2.598 1.00 0.00 C ATOM 351 CE1 PHE A 23 -1.200 -3.839 -5.230 1.00 0.00 C ATOM 352 CE2 PHE A 23 0.316 -4.192 -3.417 1.00 0.00 C ATOM 353 CZ PHE A 23 0.088 -3.838 -4.730 1.00 0.00 C ATOM 0 H PHE A 23 -2.334 -7.663 -3.177 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.391 -6.613 -1.429 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.063 -4.255 -2.360 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.930 -4.757 -1.121 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.267 -4.188 -4.814 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.549 -4.822 -1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.379 -3.564 -6.259 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.323 -4.192 -3.026 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.915 -3.560 -5.367 1.00 0.00 H new ATOM 363 N ALA A 24 -5.878 -6.250 -3.431 1.00 0.00 N ATOM 364 CA ALA A 24 -6.805 -6.051 -4.558 1.00 0.00 C ATOM 365 C ALA A 24 -6.880 -4.545 -4.888 1.00 0.00 C ATOM 366 O ALA A 24 -6.324 -3.725 -4.157 1.00 0.00 O ATOM 367 CB ALA A 24 -8.191 -6.609 -4.196 1.00 0.00 C ATOM 0 H ALA A 24 -6.320 -6.103 -2.523 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.446 -6.585 -5.438 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.873 -6.459 -5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.109 -7.674 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.574 -6.089 -3.318 1.00 0.00 H new ATOM 373 N ALA A 25 -7.502 -4.185 -6.018 1.00 0.00 N ATOM 374 CA ALA A 25 -7.785 -2.771 -6.340 1.00 0.00 C ATOM 375 C ALA A 25 -8.808 -2.192 -5.334 1.00 0.00 C ATOM 376 O ALA A 25 -9.974 -2.613 -5.317 1.00 0.00 O ATOM 377 CB ALA A 25 -8.303 -2.650 -7.789 1.00 0.00 C ATOM 0 H ALA A 25 -7.820 -4.847 -6.726 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.864 -2.194 -6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.508 -1.604 -8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.548 -3.029 -8.478 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.219 -3.231 -7.898 1.00 0.00 H new ATOM 383 N GLY A 26 -8.348 -1.252 -4.480 1.00 0.00 N ATOM 384 CA GLY A 26 -9.219 -0.557 -3.515 1.00 0.00 C ATOM 385 C GLY A 26 -8.905 -0.860 -2.048 1.00 0.00 C ATOM 386 O GLY A 26 -9.755 -0.631 -1.178 1.00 0.00 O ATOM 0 H GLY A 26 -7.372 -0.958 -4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.136 0.518 -3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.255 -0.831 -3.716 1.00 0.00 H new ATOM 390 N GLU A 27 -7.686 -1.355 -1.756 1.00 0.00 N ATOM 391 CA GLU A 27 -7.258 -1.667 -0.367 1.00 0.00 C ATOM 392 C GLU A 27 -6.546 -0.464 0.278 1.00 0.00 C ATOM 393 O GLU A 27 -5.696 0.175 -0.358 1.00 0.00 O ATOM 394 CB GLU A 27 -6.313 -2.903 -0.339 1.00 0.00 C ATOM 395 CG GLU A 27 -6.848 -4.141 -1.078 1.00 0.00 C ATOM 396 CD GLU A 27 -8.253 -4.592 -0.643 1.00 0.00 C ATOM 397 OE1 GLU A 27 -8.361 -5.303 0.370 1.00 0.00 O ATOM 398 OE2 GLU A 27 -9.248 -4.270 -1.330 1.00 0.00 O ATOM 0 H GLU A 27 -6.975 -1.550 -2.461 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.158 -1.894 0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.356 -2.621 -0.778 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.121 -3.172 0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.864 -3.930 -2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.153 -4.967 -0.926 1.00 0.00 H new ATOM 405 N LEU A 28 -6.881 -0.184 1.549 1.00 0.00 N ATOM 406 CA LEU A 28 -6.301 0.934 2.317 1.00 0.00 C ATOM 407 C LEU A 28 -4.956 0.500 2.944 1.00 0.00 C ATOM 408 O LEU A 28 -4.928 -0.259 3.925 1.00 0.00 O ATOM 409 CB LEU A 28 -7.307 1.401 3.405 1.00 0.00 C ATOM 410 CG LEU A 28 -8.704 1.876 2.868 1.00 0.00 C ATOM 411 CD1 LEU A 28 -9.673 2.189 4.023 1.00 0.00 C ATOM 412 CD2 LEU A 28 -8.562 3.081 1.902 1.00 0.00 C ATOM 0 H LEU A 28 -7.564 -0.728 2.076 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.107 1.774 1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.465 0.581 4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.855 2.218 3.967 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.132 1.052 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.630 2.515 3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.821 1.294 4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.254 2.980 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.548 3.383 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.093 3.914 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.945 2.794 1.051 1.00 0.00 H new ATOM 424 N ILE A 29 -3.854 0.953 2.326 1.00 0.00 N ATOM 425 CA ILE A 29 -2.476 0.717 2.793 1.00 0.00 C ATOM 426 C ILE A 29 -2.034 1.883 3.705 1.00 0.00 C ATOM 427 O ILE A 29 -2.100 3.058 3.311 1.00 0.00 O ATOM 428 CB ILE A 29 -1.476 0.574 1.569 1.00 0.00 C ATOM 429 CG1 ILE A 29 -1.938 -0.564 0.594 1.00 0.00 C ATOM 430 CG2 ILE A 29 -0.007 0.350 2.041 1.00 0.00 C ATOM 431 CD1 ILE A 29 -1.989 -1.959 1.193 1.00 0.00 C ATOM 0 H ILE A 29 -3.895 1.505 1.470 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.455 -0.216 3.356 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.497 1.517 1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.929 -0.314 0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.264 -0.580 -0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.644 0.257 1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.314 1.198 2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.049 -0.562 2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.320 -2.669 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.996 -2.241 1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.687 -1.970 2.030 1.00 0.00 H new ATOM 443 N THR A 30 -1.618 1.539 4.932 1.00 0.00 N ATOM 444 CA THR A 30 -1.044 2.479 5.901 1.00 0.00 C ATOM 445 C THR A 30 0.480 2.562 5.682 1.00 0.00 C ATOM 446 O THR A 30 1.200 1.608 5.997 1.00 0.00 O ATOM 447 CB THR A 30 -1.348 2.002 7.367 1.00 0.00 C ATOM 448 OG1 THR A 30 -2.752 1.736 7.502 1.00 0.00 O ATOM 449 CG2 THR A 30 -0.914 3.037 8.428 1.00 0.00 C ATOM 0 H THR A 30 -1.673 0.583 5.283 1.00 0.00 H new ATOM 0 HA THR A 30 -1.490 3.463 5.757 1.00 0.00 H new ATOM 0 HB THR A 30 -0.769 1.095 7.542 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.942 1.437 8.416 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.147 2.658 9.423 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.159 3.212 8.348 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.447 3.973 8.263 1.00 0.00 H new ATOM 457 N LEU A 31 0.958 3.690 5.119 1.00 0.00 N ATOM 458 CA LEU A 31 2.395 3.903 4.857 1.00 0.00 C ATOM 459 C LEU A 31 3.144 4.112 6.185 1.00 0.00 C ATOM 460 O LEU A 31 2.922 5.115 6.879 1.00 0.00 O ATOM 461 CB LEU A 31 2.610 5.104 3.896 1.00 0.00 C ATOM 462 CG LEU A 31 2.031 4.943 2.449 1.00 0.00 C ATOM 463 CD1 LEU A 31 2.204 6.248 1.637 1.00 0.00 C ATOM 464 CD2 LEU A 31 2.672 3.724 1.725 1.00 0.00 C ATOM 0 H LEU A 31 0.366 4.471 4.836 1.00 0.00 H new ATOM 0 HA LEU A 31 2.799 3.016 4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.162 5.989 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.681 5.293 3.818 1.00 0.00 H new ATOM 0 HG LEU A 31 0.962 4.748 2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.794 6.111 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.676 7.060 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.263 6.494 1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.253 3.634 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.750 3.868 1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.462 2.815 2.288 1.00 0.00 H new ATOM 476 N LEU A 32 4.000 3.134 6.545 1.00 0.00 N ATOM 477 CA LEU A 32 4.772 3.162 7.794 1.00 0.00 C ATOM 478 C LEU A 32 6.001 4.063 7.616 1.00 0.00 C ATOM 479 O LEU A 32 6.197 5.019 8.373 1.00 0.00 O ATOM 480 CB LEU A 32 5.214 1.724 8.166 1.00 0.00 C ATOM 481 CG LEU A 32 4.066 0.680 8.339 1.00 0.00 C ATOM 482 CD1 LEU A 32 4.632 -0.731 8.613 1.00 0.00 C ATOM 483 CD2 LEU A 32 3.063 1.126 9.438 1.00 0.00 C ATOM 0 H LEU A 32 4.172 2.305 5.975 1.00 0.00 H new ATOM 0 HA LEU A 32 4.152 3.560 8.597 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.894 1.363 7.394 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.781 1.768 9.096 1.00 0.00 H new ATOM 0 HG LEU A 32 3.513 0.629 7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.809 -1.437 8.729 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.260 -1.040 7.777 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.227 -0.713 9.526 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.275 0.379 9.536 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.586 1.228 10.389 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.623 2.084 9.162 1.00 0.00 H new ATOM 495 N GLN A 33 6.795 3.768 6.570 1.00 0.00 N ATOM 496 CA GLN A 33 7.995 4.541 6.226 1.00 0.00 C ATOM 497 C GLN A 33 7.729 5.330 4.943 1.00 0.00 C ATOM 498 O GLN A 33 7.196 4.783 3.968 1.00 0.00 O ATOM 499 CB GLN A 33 9.212 3.598 6.030 1.00 0.00 C ATOM 500 CG GLN A 33 9.563 2.739 7.261 1.00 0.00 C ATOM 501 CD GLN A 33 10.771 1.832 7.032 1.00 0.00 C ATOM 502 OE1 GLN A 33 11.911 2.217 7.280 1.00 0.00 O ATOM 503 NE2 GLN A 33 10.527 0.627 6.550 1.00 0.00 N ATOM 0 H GLN A 33 6.619 2.985 5.941 1.00 0.00 H new ATOM 0 HA GLN A 33 8.225 5.229 7.039 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.010 2.937 5.187 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.081 4.199 5.763 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.763 3.394 8.109 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.701 2.127 7.527 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.568 0.340 6.356 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.298 -0.017 6.372 1.00 0.00 H new ATOM 512 N VAL A 34 8.135 6.608 4.937 1.00 0.00 N ATOM 513 CA VAL A 34 7.990 7.498 3.776 1.00 0.00 C ATOM 514 C VAL A 34 9.302 8.293 3.543 1.00 0.00 C ATOM 515 O VAL A 34 9.469 9.408 4.053 1.00 0.00 O ATOM 516 CB VAL A 34 6.717 8.452 3.887 1.00 0.00 C ATOM 517 CG1 VAL A 34 5.401 7.699 3.536 1.00 0.00 C ATOM 518 CG2 VAL A 34 6.607 9.106 5.291 1.00 0.00 C ATOM 0 H VAL A 34 8.575 7.055 5.741 1.00 0.00 H new ATOM 0 HA VAL A 34 7.810 6.874 2.900 1.00 0.00 H new ATOM 0 HB VAL A 34 6.859 9.247 3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.556 8.382 3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.459 7.322 2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.265 6.864 4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.727 9.748 5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.518 8.328 6.049 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.499 9.702 5.486 1.00 0.00 H new ATOM 528 N PRO A 35 10.297 7.677 2.815 1.00 0.00 N ATOM 529 CA PRO A 35 11.496 8.398 2.336 1.00 0.00 C ATOM 530 C PRO A 35 11.163 9.306 1.128 1.00 0.00 C ATOM 531 O PRO A 35 10.128 9.132 0.468 1.00 0.00 O ATOM 532 CB PRO A 35 12.472 7.254 1.955 1.00 0.00 C ATOM 533 CG PRO A 35 11.578 6.120 1.548 1.00 0.00 C ATOM 534 CD PRO A 35 10.348 6.232 2.432 1.00 0.00 C ATOM 0 HA PRO A 35 11.916 9.074 3.080 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.133 7.551 1.141 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.107 6.977 2.796 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.311 6.191 0.494 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.075 5.160 1.687 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.446 5.930 1.899 1.00 0.00 H new ATOM 0 HD3 PRO A 35 10.429 5.591 3.310 1.00 0.00 H new ATOM 542 N ASP A 36 12.051 10.275 0.853 1.00 0.00 N ATOM 543 CA ASP A 36 11.870 11.247 -0.239 1.00 0.00 C ATOM 544 C ASP A 36 12.101 10.562 -1.603 1.00 0.00 C ATOM 545 O ASP A 36 13.244 10.316 -2.001 1.00 0.00 O ATOM 546 CB ASP A 36 12.825 12.460 -0.056 1.00 0.00 C ATOM 547 CG ASP A 36 12.595 13.557 -1.114 1.00 0.00 C ATOM 548 OD1 ASP A 36 11.586 14.295 -1.010 1.00 0.00 O ATOM 549 OD2 ASP A 36 13.398 13.680 -2.064 1.00 0.00 O ATOM 0 H ASP A 36 12.914 10.407 1.380 1.00 0.00 H new ATOM 0 HA ASP A 36 10.846 11.620 -0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.683 12.883 0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.858 12.117 -0.112 1.00 0.00 H new ATOM 554 N GLY A 37 11.000 10.208 -2.273 1.00 0.00 N ATOM 555 CA GLY A 37 11.037 9.567 -3.586 1.00 0.00 C ATOM 556 C GLY A 37 9.645 9.138 -4.011 1.00 0.00 C ATOM 557 O GLY A 37 8.661 9.743 -3.585 1.00 0.00 O ATOM 0 H GLY A 37 10.056 10.360 -1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.451 10.257 -4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.697 8.700 -3.555 1.00 0.00 H new ATOM 561 N GLY A 38 9.566 8.119 -4.875 1.00 0.00 N ATOM 562 CA GLY A 38 8.290 7.488 -5.241 1.00 0.00 C ATOM 563 C GLY A 38 8.081 6.158 -4.524 1.00 0.00 C ATOM 564 O GLY A 38 6.966 5.643 -4.482 1.00 0.00 O ATOM 0 H GLY A 38 10.378 7.710 -5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.469 8.163 -4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.262 7.327 -6.319 1.00 0.00 H new ATOM 568 N TRP A 39 9.177 5.609 -3.967 1.00 0.00 N ATOM 569 CA TRP A 39 9.192 4.313 -3.272 1.00 0.00 C ATOM 570 C TRP A 39 8.949 4.537 -1.773 1.00 0.00 C ATOM 571 O TRP A 39 9.732 5.242 -1.124 1.00 0.00 O ATOM 572 CB TRP A 39 10.566 3.617 -3.486 1.00 0.00 C ATOM 573 CG TRP A 39 10.901 3.336 -4.938 1.00 0.00 C ATOM 574 CD1 TRP A 39 11.286 4.245 -5.889 1.00 0.00 C ATOM 575 CD2 TRP A 39 10.885 2.060 -5.595 1.00 0.00 C ATOM 576 NE1 TRP A 39 11.496 3.612 -7.086 1.00 0.00 N ATOM 577 CE2 TRP A 39 11.265 2.273 -6.930 1.00 0.00 C ATOM 578 CE3 TRP A 39 10.590 0.756 -5.172 1.00 0.00 C ATOM 579 CZ2 TRP A 39 11.346 1.236 -7.854 1.00 0.00 C ATOM 580 CZ3 TRP A 39 10.675 -0.274 -6.090 1.00 0.00 C ATOM 581 CH2 TRP A 39 11.058 -0.031 -7.417 1.00 0.00 C ATOM 0 H TRP A 39 10.090 6.063 -3.989 1.00 0.00 H new ATOM 0 HA TRP A 39 8.405 3.675 -3.675 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.349 4.244 -3.059 1.00 0.00 H new ATOM 0 HB3 TRP A 39 10.574 2.677 -2.934 1.00 0.00 H new ATOM 0 HD1 TRP A 39 11.406 5.305 -5.720 1.00 0.00 H new ATOM 0 HE1 TRP A 39 11.779 4.066 -7.954 1.00 0.00 H new ATOM 0 HE3 TRP A 39 10.302 0.560 -4.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 11.626 1.423 -8.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 10.443 -1.282 -5.780 1.00 0.00 H new ATOM 0 HH2 TRP A 39 11.127 -0.858 -8.108 1.00 0.00 H new ATOM 592 N TRP A 40 7.863 3.957 -1.238 1.00 0.00 N ATOM 593 CA TRP A 40 7.509 4.045 0.192 1.00 0.00 C ATOM 594 C TRP A 40 7.186 2.651 0.732 1.00 0.00 C ATOM 595 O TRP A 40 6.785 1.753 -0.021 1.00 0.00 O ATOM 596 CB TRP A 40 6.304 4.999 0.404 1.00 0.00 C ATOM 597 CG TRP A 40 6.531 6.398 -0.125 1.00 0.00 C ATOM 598 CD1 TRP A 40 7.449 7.309 0.314 1.00 0.00 C ATOM 599 CD2 TRP A 40 5.840 7.036 -1.205 1.00 0.00 C ATOM 600 NE1 TRP A 40 7.359 8.468 -0.403 1.00 0.00 N ATOM 601 CE2 TRP A 40 6.381 8.325 -1.346 1.00 0.00 C ATOM 602 CE3 TRP A 40 4.815 6.638 -2.058 1.00 0.00 C ATOM 603 CZ2 TRP A 40 5.931 9.221 -2.307 1.00 0.00 C ATOM 604 CZ3 TRP A 40 4.372 7.529 -3.012 1.00 0.00 C ATOM 605 CH2 TRP A 40 4.930 8.806 -3.129 1.00 0.00 C ATOM 0 H TRP A 40 7.200 3.410 -1.787 1.00 0.00 H new ATOM 0 HA TRP A 40 8.361 4.451 0.738 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.427 4.574 -0.084 1.00 0.00 H new ATOM 0 HB3 TRP A 40 6.081 5.055 1.469 1.00 0.00 H new ATOM 0 HD1 TRP A 40 8.150 7.137 1.118 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.928 9.302 -0.258 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.377 5.654 -1.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.359 10.208 -2.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.578 7.235 -3.683 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.558 9.477 -3.889 1.00 0.00 H new ATOM 616 N GLU A 41 7.391 2.470 2.034 1.00 0.00 N ATOM 617 CA GLU A 41 7.103 1.212 2.729 1.00 0.00 C ATOM 618 C GLU A 41 5.793 1.393 3.498 1.00 0.00 C ATOM 619 O GLU A 41 5.615 2.387 4.212 1.00 0.00 O ATOM 620 CB GLU A 41 8.287 0.852 3.669 1.00 0.00 C ATOM 621 CG GLU A 41 8.300 -0.592 4.247 1.00 0.00 C ATOM 622 CD GLU A 41 7.307 -0.822 5.402 1.00 0.00 C ATOM 623 OE1 GLU A 41 7.528 -0.260 6.500 1.00 0.00 O ATOM 624 OE2 GLU A 41 6.304 -1.535 5.211 1.00 0.00 O ATOM 0 H GLU A 41 7.765 3.197 2.644 1.00 0.00 H new ATOM 0 HA GLU A 41 6.990 0.386 2.027 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.217 1.009 3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.286 1.553 4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.074 -1.294 3.444 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.306 -0.821 4.598 1.00 0.00 H new ATOM 631 N GLY A 42 4.895 0.419 3.358 1.00 0.00 N ATOM 632 CA GLY A 42 3.585 0.459 3.987 1.00 0.00 C ATOM 633 C GLY A 42 3.038 -0.922 4.246 1.00 0.00 C ATOM 634 O GLY A 42 3.381 -1.870 3.538 1.00 0.00 O ATOM 0 H GLY A 42 5.060 -0.420 2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.652 1.004 4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.893 1.009 3.349 1.00 0.00 H new ATOM 638 N GLU A 43 2.190 -1.037 5.275 1.00 0.00 N ATOM 639 CA GLU A 43 1.457 -2.266 5.572 1.00 0.00 C ATOM 640 C GLU A 43 0.007 -2.130 5.132 1.00 0.00 C ATOM 641 O GLU A 43 -0.543 -1.029 5.077 1.00 0.00 O ATOM 642 CB GLU A 43 1.494 -2.596 7.096 1.00 0.00 C ATOM 643 CG GLU A 43 0.704 -1.621 8.007 1.00 0.00 C ATOM 644 CD GLU A 43 0.579 -2.122 9.457 1.00 0.00 C ATOM 645 OE1 GLU A 43 1.488 -1.855 10.269 1.00 0.00 O ATOM 646 OE2 GLU A 43 -0.427 -2.793 9.791 1.00 0.00 O ATOM 0 H GLU A 43 1.995 -0.276 5.925 1.00 0.00 H new ATOM 0 HA GLU A 43 1.939 -3.076 5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.101 -3.602 7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.534 -2.609 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.198 -0.650 8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.293 -1.472 7.592 1.00 0.00 H new ATOM 653 N LYS A 44 -0.608 -3.263 4.809 1.00 0.00 N ATOM 654 CA LYS A 44 -2.056 -3.396 4.841 1.00 0.00 C ATOM 655 C LYS A 44 -2.433 -3.591 6.318 1.00 0.00 C ATOM 656 O LYS A 44 -1.629 -4.112 7.101 1.00 0.00 O ATOM 657 CB LYS A 44 -2.526 -4.583 3.962 1.00 0.00 C ATOM 658 CG LYS A 44 -4.035 -4.596 3.675 1.00 0.00 C ATOM 659 CD LYS A 44 -4.492 -5.790 2.807 1.00 0.00 C ATOM 660 CE LYS A 44 -6.017 -5.778 2.597 1.00 0.00 C ATOM 661 NZ LYS A 44 -6.500 -6.952 1.845 1.00 0.00 N ATOM 0 H LYS A 44 -0.118 -4.109 4.519 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.548 -2.514 4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.988 -4.554 3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.253 -5.516 4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.576 -4.618 4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.308 -3.668 3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.989 -5.753 1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.196 -6.724 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.512 -5.745 3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.299 -4.870 2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.240 -6.656 1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.710 -7.377 1.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.891 -7.652 2.508 1.00 0.00 H new ATOM 675 N GLU A 45 -3.665 -3.222 6.686 1.00 0.00 N ATOM 676 CA GLU A 45 -4.108 -3.155 8.098 1.00 0.00 C ATOM 677 C GLU A 45 -4.339 -4.556 8.742 1.00 0.00 C ATOM 678 O GLU A 45 -4.988 -4.672 9.790 1.00 0.00 O ATOM 679 CB GLU A 45 -5.375 -2.269 8.176 1.00 0.00 C ATOM 680 CG GLU A 45 -5.188 -0.871 7.547 1.00 0.00 C ATOM 681 CD GLU A 45 -6.428 0.023 7.674 1.00 0.00 C ATOM 682 OE1 GLU A 45 -7.335 -0.058 6.813 1.00 0.00 O ATOM 683 OE2 GLU A 45 -6.510 0.805 8.644 1.00 0.00 O ATOM 0 H GLU A 45 -4.390 -2.960 6.018 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.306 -2.709 8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.197 -2.778 7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.664 -2.153 9.221 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.342 -0.376 8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.938 -0.985 6.492 1.00 0.00 H new ATOM 690 N ASP A 46 -3.798 -5.609 8.098 1.00 0.00 N ATOM 691 CA ASP A 46 -3.708 -6.975 8.650 1.00 0.00 C ATOM 692 C ASP A 46 -2.317 -7.239 9.270 1.00 0.00 C ATOM 693 O ASP A 46 -2.061 -8.341 9.786 1.00 0.00 O ATOM 694 CB ASP A 46 -3.977 -7.998 7.518 1.00 0.00 C ATOM 695 CG ASP A 46 -5.323 -7.767 6.819 1.00 0.00 C ATOM 696 OD1 ASP A 46 -5.371 -6.967 5.863 1.00 0.00 O ATOM 697 OD2 ASP A 46 -6.343 -8.362 7.229 1.00 0.00 O ATOM 0 H ASP A 46 -3.403 -5.532 7.161 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.453 -7.081 9.438 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.175 -7.939 6.782 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.956 -9.006 7.932 1.00 0.00 H new ATOM 702 N GLY A 47 -1.419 -6.232 9.197 1.00 0.00 N ATOM 703 CA GLY A 47 -0.054 -6.347 9.727 1.00 0.00 C ATOM 704 C GLY A 47 0.965 -6.835 8.700 1.00 0.00 C ATOM 705 O GLY A 47 2.138 -7.020 9.032 1.00 0.00 O ATOM 0 H GLY A 47 -1.623 -5.327 8.772 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.262 -5.375 10.106 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.059 -7.033 10.574 1.00 0.00 H new ATOM 709 N LEU A 48 0.522 -7.028 7.448 1.00 0.00 N ATOM 710 CA LEU A 48 1.382 -7.500 6.343 1.00 0.00 C ATOM 711 C LEU A 48 1.976 -6.285 5.625 1.00 0.00 C ATOM 712 O LEU A 48 1.232 -5.509 5.035 1.00 0.00 O ATOM 713 CB LEU A 48 0.547 -8.367 5.365 1.00 0.00 C ATOM 714 CG LEU A 48 -0.112 -9.635 5.996 1.00 0.00 C ATOM 715 CD1 LEU A 48 -1.004 -10.376 4.973 1.00 0.00 C ATOM 716 CD2 LEU A 48 0.955 -10.575 6.621 1.00 0.00 C ATOM 0 H LEU A 48 -0.445 -6.862 7.169 1.00 0.00 H new ATOM 0 HA LEU A 48 2.194 -8.114 6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.238 -7.746 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.191 -8.682 4.544 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.761 -9.302 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.447 -11.253 5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.796 -9.709 4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.399 -10.688 4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.464 -11.448 7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.654 -10.896 5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.497 -10.042 7.402 1.00 0.00 H new ATOM 728 N ARG A 49 3.308 -6.119 5.686 1.00 0.00 N ATOM 729 CA ARG A 49 3.993 -4.920 5.154 1.00 0.00 C ATOM 730 C ARG A 49 4.951 -5.271 4.004 1.00 0.00 C ATOM 731 O ARG A 49 5.276 -6.447 3.785 1.00 0.00 O ATOM 732 CB ARG A 49 4.738 -4.169 6.301 1.00 0.00 C ATOM 733 CG ARG A 49 6.072 -4.789 6.768 1.00 0.00 C ATOM 734 CD ARG A 49 6.787 -3.904 7.810 1.00 0.00 C ATOM 735 NE ARG A 49 8.178 -4.345 8.059 1.00 0.00 N ATOM 736 CZ ARG A 49 9.250 -3.539 8.094 1.00 0.00 C ATOM 737 NH1 ARG A 49 9.137 -2.228 7.864 1.00 0.00 N ATOM 738 NH2 ARG A 49 10.442 -4.055 8.338 1.00 0.00 N ATOM 0 H ARG A 49 3.939 -6.804 6.101 1.00 0.00 H new ATOM 0 HA ARG A 49 3.233 -4.256 4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.931 -3.148 5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.070 -4.107 7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.884 -5.773 7.196 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.725 -4.935 5.907 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.792 -2.870 7.464 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.228 -3.924 8.746 1.00 0.00 H new ATOM 0 HE ARG A 49 8.334 -5.341 8.216 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.224 -1.823 7.657 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.964 -1.632 7.895 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.541 -5.058 8.498 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.263 -3.451 8.367 1.00 0.00 H new ATOM 752 N GLY A 50 5.385 -4.228 3.268 1.00 0.00 N ATOM 753 CA GLY A 50 6.300 -4.383 2.139 1.00 0.00 C ATOM 754 C GLY A 50 6.597 -3.067 1.436 1.00 0.00 C ATOM 755 O GLY A 50 5.966 -2.039 1.714 1.00 0.00 O ATOM 0 H GLY A 50 5.108 -3.263 3.445 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.234 -4.820 2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.871 -5.083 1.423 1.00 0.00 H new ATOM 759 N TRP A 51 7.566 -3.109 0.505 1.00 0.00 N ATOM 760 CA TRP A 51 7.982 -1.935 -0.292 1.00 0.00 C ATOM 761 C TRP A 51 7.246 -1.915 -1.631 1.00 0.00 C ATOM 762 O TRP A 51 7.267 -2.906 -2.367 1.00 0.00 O ATOM 763 CB TRP A 51 9.518 -1.963 -0.541 1.00 0.00 C ATOM 764 CG TRP A 51 10.327 -1.443 0.614 1.00 0.00 C ATOM 765 CD1 TRP A 51 10.888 -2.157 1.632 1.00 0.00 C ATOM 766 CD2 TRP A 51 10.656 -0.071 0.854 1.00 0.00 C ATOM 767 NE1 TRP A 51 11.550 -1.310 2.485 1.00 0.00 N ATOM 768 CE2 TRP A 51 11.419 -0.026 2.029 1.00 0.00 C ATOM 769 CE3 TRP A 51 10.372 1.121 0.179 1.00 0.00 C ATOM 770 CZ2 TRP A 51 11.906 1.166 2.552 1.00 0.00 C ATOM 771 CZ3 TRP A 51 10.858 2.307 0.696 1.00 0.00 C ATOM 772 CH2 TRP A 51 11.618 2.322 1.874 1.00 0.00 C ATOM 0 H TRP A 51 8.085 -3.958 0.281 1.00 0.00 H new ATOM 0 HA TRP A 51 7.730 -1.035 0.268 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.824 -2.987 -0.755 1.00 0.00 H new ATOM 0 HB3 TRP A 51 9.744 -1.371 -1.428 1.00 0.00 H new ATOM 0 HD1 TRP A 51 10.821 -3.229 1.749 1.00 0.00 H new ATOM 0 HE1 TRP A 51 12.058 -1.592 3.324 1.00 0.00 H new ATOM 0 HE3 TRP A 51 9.785 1.115 -0.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 12.490 1.181 3.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 10.649 3.235 0.185 1.00 0.00 H new ATOM 0 HH2 TRP A 51 11.984 3.264 2.255 1.00 0.00 H new ATOM 783 N PHE A 52 6.620 -0.767 -1.948 1.00 0.00 N ATOM 784 CA PHE A 52 5.939 -0.521 -3.238 1.00 0.00 C ATOM 785 C PHE A 52 6.053 0.972 -3.612 1.00 0.00 C ATOM 786 O PHE A 52 6.051 1.832 -2.719 1.00 0.00 O ATOM 787 CB PHE A 52 4.432 -0.962 -3.207 1.00 0.00 C ATOM 788 CG PHE A 52 4.221 -2.475 -3.207 1.00 0.00 C ATOM 789 CD1 PHE A 52 4.295 -3.207 -4.394 1.00 0.00 C ATOM 790 CD2 PHE A 52 3.976 -3.173 -2.019 1.00 0.00 C ATOM 791 CE1 PHE A 52 4.138 -4.582 -4.391 1.00 0.00 C ATOM 792 CE2 PHE A 52 3.816 -4.546 -2.022 1.00 0.00 C ATOM 793 CZ PHE A 52 3.896 -5.251 -3.205 1.00 0.00 C ATOM 0 H PHE A 52 6.571 0.027 -1.310 1.00 0.00 H new ATOM 0 HA PHE A 52 6.435 -1.128 -3.995 1.00 0.00 H new ATOM 0 HB2 PHE A 52 3.960 -0.541 -2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.923 -0.536 -4.071 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.477 -2.693 -5.326 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.911 -2.631 -1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.205 -5.134 -5.317 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.628 -5.068 -1.096 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.770 -6.324 -3.205 1.00 0.00 H new ATOM 803 N PRO A 53 6.178 1.312 -4.942 1.00 0.00 N ATOM 804 CA PRO A 53 6.148 2.706 -5.412 1.00 0.00 C ATOM 805 C PRO A 53 4.703 3.253 -5.473 1.00 0.00 C ATOM 806 O PRO A 53 3.729 2.511 -5.246 1.00 0.00 O ATOM 807 CB PRO A 53 6.807 2.640 -6.834 1.00 0.00 C ATOM 808 CG PRO A 53 7.201 1.198 -7.038 1.00 0.00 C ATOM 809 CD PRO A 53 6.356 0.386 -6.084 1.00 0.00 C ATOM 0 HA PRO A 53 6.676 3.385 -4.743 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.109 2.967 -7.604 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.676 3.295 -6.893 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.027 0.890 -8.069 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.262 1.053 -6.836 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.402 0.102 -6.528 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.855 -0.536 -5.785 1.00 0.00 H new ATOM 817 N ALA A 54 4.592 4.548 -5.826 1.00 0.00 N ATOM 818 CA ALA A 54 3.297 5.235 -6.040 1.00 0.00 C ATOM 819 C ALA A 54 2.472 4.578 -7.168 1.00 0.00 C ATOM 820 O ALA A 54 1.257 4.725 -7.205 1.00 0.00 O ATOM 821 CB ALA A 54 3.522 6.730 -6.358 1.00 0.00 C ATOM 0 H ALA A 54 5.400 5.153 -5.972 1.00 0.00 H new ATOM 0 HA ALA A 54 2.729 5.143 -5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.560 7.218 -6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.041 7.205 -5.525 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.125 6.823 -7.261 1.00 0.00 H new ATOM 827 N SER A 55 3.167 3.835 -8.056 1.00 0.00 N ATOM 828 CA SER A 55 2.597 3.182 -9.255 1.00 0.00 C ATOM 829 C SER A 55 1.373 2.282 -8.945 1.00 0.00 C ATOM 830 O SER A 55 0.457 2.177 -9.767 1.00 0.00 O ATOM 831 CB SER A 55 3.705 2.345 -9.937 1.00 0.00 C ATOM 832 OG SER A 55 4.886 3.118 -10.101 1.00 0.00 O ATOM 0 H SER A 55 4.168 3.668 -7.956 1.00 0.00 H new ATOM 0 HA SER A 55 2.235 3.970 -9.915 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.923 1.462 -9.337 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.357 1.993 -10.908 1.00 0.00 H new ATOM 0 HG SER A 55 5.577 2.573 -10.532 1.00 0.00 H new ATOM 838 N TYR A 56 1.367 1.634 -7.765 1.00 0.00 N ATOM 839 CA TYR A 56 0.297 0.682 -7.367 1.00 0.00 C ATOM 840 C TYR A 56 -0.783 1.344 -6.497 1.00 0.00 C ATOM 841 O TYR A 56 -1.886 0.798 -6.367 1.00 0.00 O ATOM 842 CB TYR A 56 0.921 -0.533 -6.623 1.00 0.00 C ATOM 843 CG TYR A 56 1.817 -1.394 -7.526 1.00 0.00 C ATOM 844 CD1 TYR A 56 1.284 -2.442 -8.288 1.00 0.00 C ATOM 845 CD2 TYR A 56 3.192 -1.152 -7.629 1.00 0.00 C ATOM 846 CE1 TYR A 56 2.083 -3.206 -9.118 1.00 0.00 C ATOM 847 CE2 TYR A 56 3.993 -1.912 -8.463 1.00 0.00 C ATOM 848 CZ TYR A 56 3.435 -2.942 -9.200 1.00 0.00 C ATOM 849 OH TYR A 56 4.228 -3.697 -10.037 1.00 0.00 O ATOM 0 H TYR A 56 2.096 1.750 -7.061 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.194 0.342 -8.279 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.506 -0.172 -5.777 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.122 -1.153 -6.216 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.228 -2.657 -8.226 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.636 -0.358 -7.047 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.651 -4.006 -9.700 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.050 -1.702 -8.539 1.00 0.00 H new ATOM 0 HH TYR A 56 5.155 -3.384 -9.980 1.00 0.00 H new ATOM 859 N VAL A 57 -0.468 2.516 -5.906 1.00 0.00 N ATOM 860 CA VAL A 57 -1.335 3.178 -4.902 1.00 0.00 C ATOM 861 C VAL A 57 -1.781 4.585 -5.360 1.00 0.00 C ATOM 862 O VAL A 57 -1.359 5.084 -6.404 1.00 0.00 O ATOM 863 CB VAL A 57 -0.618 3.269 -3.491 1.00 0.00 C ATOM 864 CG1 VAL A 57 -0.310 1.861 -2.908 1.00 0.00 C ATOM 865 CG2 VAL A 57 0.664 4.146 -3.556 1.00 0.00 C ATOM 0 H VAL A 57 0.390 3.030 -6.108 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.226 2.558 -4.803 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.316 3.757 -2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.181 1.967 -1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.241 1.307 -2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.346 1.320 -3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.128 4.185 -2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.365 3.714 -4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.399 5.155 -3.873 1.00 0.00 H new ATOM 875 N GLN A 58 -2.663 5.193 -4.552 1.00 0.00 N ATOM 876 CA GLN A 58 -3.140 6.576 -4.706 1.00 0.00 C ATOM 877 C GLN A 58 -3.012 7.268 -3.351 1.00 0.00 C ATOM 878 O GLN A 58 -3.682 6.874 -2.398 1.00 0.00 O ATOM 879 CB GLN A 58 -4.620 6.612 -5.183 1.00 0.00 C ATOM 880 CG GLN A 58 -5.267 8.021 -5.271 1.00 0.00 C ATOM 881 CD GLN A 58 -4.489 9.014 -6.147 1.00 0.00 C ATOM 882 OE1 GLN A 58 -4.683 9.075 -7.362 1.00 0.00 O ATOM 883 NE2 GLN A 58 -3.619 9.815 -5.528 1.00 0.00 N ATOM 0 H GLN A 58 -3.077 4.721 -3.748 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.542 7.087 -5.461 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.677 6.145 -6.166 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.216 6.001 -4.505 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.279 7.921 -5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.356 8.432 -4.265 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.483 9.738 -4.520 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.091 10.504 -6.063 1.00 0.00 H new ATOM 892 N LEU A 59 -2.147 8.291 -3.286 1.00 0.00 N ATOM 893 CA LEU A 59 -1.884 9.054 -2.055 1.00 0.00 C ATOM 894 C LEU A 59 -3.158 9.775 -1.588 1.00 0.00 C ATOM 895 O LEU A 59 -3.806 10.479 -2.378 1.00 0.00 O ATOM 896 CB LEU A 59 -0.722 10.053 -2.289 1.00 0.00 C ATOM 897 CG LEU A 59 0.620 9.412 -2.776 1.00 0.00 C ATOM 898 CD1 LEU A 59 1.704 10.491 -2.981 1.00 0.00 C ATOM 899 CD2 LEU A 59 1.086 8.282 -1.816 1.00 0.00 C ATOM 0 H LEU A 59 -1.607 8.614 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.585 8.365 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.041 10.791 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.533 10.590 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 59 0.444 8.947 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.627 10.020 -3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.367 11.208 -3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.885 11.008 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.021 7.857 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.240 8.693 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.325 7.503 -1.774 1.00 0.00 H new ATOM 911 N LEU A 60 -3.532 9.547 -0.320 1.00 0.00 N ATOM 912 CA LEU A 60 -4.760 10.081 0.287 1.00 0.00 C ATOM 913 C LEU A 60 -4.377 11.184 1.295 1.00 0.00 C ATOM 914 O LEU A 60 -3.923 10.848 2.412 1.00 0.00 O ATOM 915 CB LEU A 60 -5.549 8.936 0.986 1.00 0.00 C ATOM 916 CG LEU A 60 -5.948 7.719 0.096 1.00 0.00 C ATOM 917 CD1 LEU A 60 -6.650 6.619 0.926 1.00 0.00 C ATOM 918 CD2 LEU A 60 -6.801 8.152 -1.121 1.00 0.00 C ATOM 919 OXT LEU A 60 -4.500 12.382 0.962 1.00 0.00 O ATOM 0 H LEU A 60 -2.981 8.978 0.322 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.403 10.509 -0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.949 8.567 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.459 9.360 1.412 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.027 7.290 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.915 5.785 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.977 6.269 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.554 7.026 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.058 7.275 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.714 8.634 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.232 8.852 -1.734 1.00 0.00 H new