USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 473 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 13 LYS NZ :NH3+ -123:sc= -1.76 (180deg=-4.19!) USER MOD Set 1.2: A 28 HIS : no HD1:sc= -1.03 K(o=-2.8,f=-3.8!) USER MOD Single : A 2 LYS NZ :NH3+ -129:sc= -1.46 (180deg=-4.03!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0844 USER MOD Single : A 8 TYR OH : rot 180:sc=-0.00644 USER MOD Single : A 12 LYS NZ :NH3+ -138:sc=-0.00248 (180deg=-0.109) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.85 F(o=-1.5!,f=-0.85) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -172:sc= 0.555 (180deg=0.483) USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= -0.0052 (180deg=-0.126) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -150:sc= -0.796 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.957 K(o=-0.96,f=-2.2!) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0171 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 12.078 1.625 -0.436 1.00 0.00 N ATOM 21 CA LYS A 2 10.831 2.442 -0.476 1.00 0.00 C ATOM 22 C LYS A 2 10.241 2.426 -1.883 1.00 0.00 C ATOM 23 O LYS A 2 10.771 1.815 -2.791 1.00 0.00 O ATOM 24 CB LYS A 2 11.157 3.887 -0.090 1.00 0.00 C ATOM 25 CG LYS A 2 11.577 3.945 1.382 1.00 0.00 C ATOM 26 CD LYS A 2 11.992 5.379 1.743 1.00 0.00 C ATOM 27 CE LYS A 2 10.767 6.306 1.713 1.00 0.00 C ATOM 28 NZ LYS A 2 10.547 6.795 0.323 1.00 0.00 N ATOM 0 HA LYS A 2 10.109 2.022 0.225 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.958 4.271 -0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.287 4.523 -0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.753 3.623 2.019 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.405 3.260 1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.447 5.396 2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.745 5.736 1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.885 5.772 2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.919 7.149 2.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.456 7.831 0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.355 6.522 -0.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.677 6.374 -0.060 1.00 0.00 H new ATOM 42 N GLY A 3 9.136 3.098 -2.056 1.00 0.00 N ATOM 43 CA GLY A 3 8.479 3.136 -3.389 1.00 0.00 C ATOM 44 C GLY A 3 7.371 4.185 -3.401 1.00 0.00 C ATOM 45 O GLY A 3 7.272 5.022 -2.526 1.00 0.00 O ATOM 0 H GLY A 3 8.659 3.625 -1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.215 3.366 -4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 3 8.065 2.156 -3.626 1.00 0.00 H new ATOM 49 N LYS A 4 6.536 4.136 -4.409 1.00 0.00 N ATOM 50 CA LYS A 4 5.418 5.118 -4.528 1.00 0.00 C ATOM 51 C LYS A 4 4.124 4.404 -4.905 1.00 0.00 C ATOM 52 O LYS A 4 4.103 3.515 -5.738 1.00 0.00 O ATOM 53 CB LYS A 4 5.759 6.145 -5.600 1.00 0.00 C ATOM 54 CG LYS A 4 4.740 7.286 -5.548 1.00 0.00 C ATOM 55 CD LYS A 4 5.087 8.344 -6.605 1.00 0.00 C ATOM 56 CE LYS A 4 6.251 9.214 -6.115 1.00 0.00 C ATOM 57 NZ LYS A 4 6.426 10.375 -7.028 1.00 0.00 N ATOM 0 H LYS A 4 6.583 3.449 -5.162 1.00 0.00 H new ATOM 0 HA LYS A 4 5.281 5.616 -3.568 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.765 6.533 -5.442 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.749 5.677 -6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.737 6.898 -5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.737 7.738 -4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.355 7.858 -7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.216 8.968 -6.807 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.056 9.562 -5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.168 8.626 -6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.216 10.963 -6.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.631 10.033 -7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.554 10.941 -7.041 1.00 0.00 H new ATOM 71 N VAL A 5 3.045 4.804 -4.283 1.00 0.00 N ATOM 72 CA VAL A 5 1.726 4.176 -4.573 1.00 0.00 C ATOM 73 C VAL A 5 1.222 4.659 -5.928 1.00 0.00 C ATOM 74 O VAL A 5 1.138 5.844 -6.186 1.00 0.00 O ATOM 75 CB VAL A 5 0.727 4.553 -3.468 1.00 0.00 C ATOM 76 CG1 VAL A 5 0.292 6.018 -3.618 1.00 0.00 C ATOM 77 CG2 VAL A 5 -0.502 3.645 -3.574 1.00 0.00 C ATOM 0 H VAL A 5 3.023 5.544 -3.582 1.00 0.00 H new ATOM 0 HA VAL A 5 1.831 3.091 -4.600 1.00 0.00 H new ATOM 0 HB VAL A 5 1.205 4.426 -2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.416 6.270 -2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.165 6.666 -3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.183 6.159 -4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.216 3.906 -2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.968 3.776 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.198 2.605 -3.454 1.00 0.00 H new ATOM 87 N VAL A 6 0.898 3.741 -6.793 1.00 0.00 N ATOM 88 CA VAL A 6 0.405 4.114 -8.147 1.00 0.00 C ATOM 89 C VAL A 6 -1.120 4.146 -8.142 1.00 0.00 C ATOM 90 O VAL A 6 -1.731 5.039 -8.692 1.00 0.00 O ATOM 91 CB VAL A 6 0.896 3.083 -9.173 1.00 0.00 C ATOM 92 CG1 VAL A 6 0.367 1.685 -8.827 1.00 0.00 C ATOM 93 CG2 VAL A 6 0.400 3.480 -10.565 1.00 0.00 C ATOM 0 H VAL A 6 0.954 2.738 -6.618 1.00 0.00 H new ATOM 0 HA VAL A 6 0.786 5.099 -8.414 1.00 0.00 H new ATOM 0 HB VAL A 6 1.986 3.061 -9.156 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.725 0.967 -9.565 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.722 1.396 -7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.723 1.697 -8.832 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.747 2.750 -11.297 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.690 3.508 -10.569 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.789 4.465 -10.823 1.00 0.00 H new ATOM 103 N SER A 7 -1.742 3.175 -7.518 1.00 0.00 N ATOM 104 CA SER A 7 -3.234 3.146 -7.472 1.00 0.00 C ATOM 105 C SER A 7 -3.718 2.406 -6.223 1.00 0.00 C ATOM 106 O SER A 7 -3.047 1.547 -5.682 1.00 0.00 O ATOM 107 CB SER A 7 -3.772 2.441 -8.714 1.00 0.00 C ATOM 108 OG SER A 7 -3.413 3.193 -9.864 1.00 0.00 O ATOM 0 H SER A 7 -1.279 2.402 -7.039 1.00 0.00 H new ATOM 0 HA SER A 7 -3.600 4.172 -7.440 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.364 1.433 -8.781 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.856 2.343 -8.652 1.00 0.00 H new ATOM 0 HG SER A 7 -3.754 2.746 -10.667 1.00 0.00 H new ATOM 114 N TYR A 8 -4.899 2.748 -5.782 1.00 0.00 N ATOM 115 CA TYR A 8 -5.492 2.096 -4.583 1.00 0.00 C ATOM 116 C TYR A 8 -7.004 2.325 -4.572 1.00 0.00 C ATOM 117 O TYR A 8 -7.480 3.439 -4.479 1.00 0.00 O ATOM 118 CB TYR A 8 -4.877 2.675 -3.309 1.00 0.00 C ATOM 119 CG TYR A 8 -5.599 2.103 -2.107 1.00 0.00 C ATOM 120 CD1 TYR A 8 -5.484 0.742 -1.809 1.00 0.00 C ATOM 121 CD2 TYR A 8 -6.395 2.933 -1.306 1.00 0.00 C ATOM 122 CE1 TYR A 8 -6.159 0.208 -0.706 1.00 0.00 C ATOM 123 CE2 TYR A 8 -7.069 2.399 -0.203 1.00 0.00 C ATOM 124 CZ TYR A 8 -6.953 1.036 0.097 1.00 0.00 C ATOM 125 OH TYR A 8 -7.621 0.511 1.184 1.00 0.00 O ATOM 0 H TYR A 8 -5.486 3.464 -6.211 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.284 1.027 -4.622 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.815 2.433 -3.260 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.956 3.762 -3.313 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.874 0.103 -2.430 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.488 3.983 -1.540 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.068 -0.843 -0.474 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.679 3.038 0.418 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.125 1.222 1.633 1.00 0.00 H new ATOM 135 N LEU A 9 -7.755 1.254 -4.657 1.00 0.00 N ATOM 136 CA LEU A 9 -9.248 1.352 -4.645 1.00 0.00 C ATOM 137 C LEU A 9 -9.794 0.588 -3.435 1.00 0.00 C ATOM 138 O LEU A 9 -9.748 -0.624 -3.368 1.00 0.00 O ATOM 139 CB LEU A 9 -9.813 0.749 -5.935 1.00 0.00 C ATOM 140 CG LEU A 9 -9.177 1.434 -7.151 1.00 0.00 C ATOM 141 CD1 LEU A 9 -9.716 0.797 -8.435 1.00 0.00 C ATOM 142 CD2 LEU A 9 -9.516 2.931 -7.143 1.00 0.00 C ATOM 0 H LEU A 9 -7.392 0.304 -4.735 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.546 2.398 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.614 -0.322 -5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.896 0.873 -5.961 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.095 1.311 -7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.264 1.283 -9.300 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.469 -0.265 -8.446 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.799 0.918 -8.475 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.061 3.412 -8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.598 3.059 -7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.130 3.387 -6.231 1.00 0.00 H new ATOM 154 N ALA A 10 -10.314 1.316 -2.483 1.00 0.00 N ATOM 155 CA ALA A 10 -10.884 0.693 -1.254 1.00 0.00 C ATOM 156 C ALA A 10 -12.141 -0.093 -1.620 1.00 0.00 C ATOM 157 O ALA A 10 -12.448 -1.106 -1.032 1.00 0.00 O ATOM 158 CB ALA A 10 -11.253 1.796 -0.255 1.00 0.00 C ATOM 0 H ALA A 10 -10.368 2.334 -2.506 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.149 0.022 -0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.670 1.346 0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.361 2.366 0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.991 2.461 -0.704 1.00 0.00 H new ATOM 164 N ALA A 11 -12.880 0.399 -2.581 1.00 0.00 N ATOM 165 CA ALA A 11 -14.141 -0.273 -3.004 1.00 0.00 C ATOM 166 C ALA A 11 -13.821 -1.671 -3.527 1.00 0.00 C ATOM 167 O ALA A 11 -14.594 -2.591 -3.376 1.00 0.00 O ATOM 168 CB ALA A 11 -14.799 0.549 -4.119 1.00 0.00 C ATOM 0 H ALA A 11 -12.658 1.251 -3.097 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.819 -0.350 -2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.722 0.063 -4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.023 1.550 -3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.119 0.620 -4.968 1.00 0.00 H new ATOM 174 N LYS A 12 -12.688 -1.821 -4.163 1.00 0.00 N ATOM 175 CA LYS A 12 -12.297 -3.148 -4.730 1.00 0.00 C ATOM 176 C LYS A 12 -11.392 -3.875 -3.730 1.00 0.00 C ATOM 177 O LYS A 12 -10.981 -4.991 -3.959 1.00 0.00 O ATOM 178 CB LYS A 12 -11.546 -2.924 -6.045 1.00 0.00 C ATOM 179 CG LYS A 12 -12.417 -2.091 -6.994 1.00 0.00 C ATOM 180 CD LYS A 12 -13.665 -2.888 -7.399 1.00 0.00 C ATOM 181 CE LYS A 12 -14.271 -2.288 -8.668 1.00 0.00 C ATOM 182 NZ LYS A 12 -13.468 -2.712 -9.849 1.00 0.00 N ATOM 0 H LYS A 12 -12.010 -1.074 -4.316 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.184 -3.753 -4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.603 -2.411 -5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.301 -3.882 -6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.712 -1.161 -6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.845 -1.820 -7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.402 -3.932 -7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.397 -2.871 -6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.304 -2.616 -8.781 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.287 -1.200 -8.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.345 -1.905 -10.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.536 -3.048 -9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.962 -3.480 -10.347 1.00 0.00 H new ATOM 196 N LYS A 13 -11.100 -3.237 -2.623 1.00 0.00 N ATOM 197 CA LYS A 13 -10.242 -3.852 -1.569 1.00 0.00 C ATOM 198 C LYS A 13 -8.893 -4.228 -2.165 1.00 0.00 C ATOM 199 O LYS A 13 -8.066 -4.842 -1.523 1.00 0.00 O ATOM 200 CB LYS A 13 -10.930 -5.094 -1.003 1.00 0.00 C ATOM 201 CG LYS A 13 -12.179 -4.670 -0.224 1.00 0.00 C ATOM 202 CD LYS A 13 -12.951 -5.917 0.217 1.00 0.00 C ATOM 203 CE LYS A 13 -12.110 -6.729 1.213 1.00 0.00 C ATOM 204 NZ LYS A 13 -11.204 -7.645 0.463 1.00 0.00 N ATOM 0 H LYS A 13 -11.428 -2.297 -2.404 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.088 -3.135 -0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.204 -5.772 -1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.247 -5.637 -0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.895 -4.078 0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.812 -4.038 -0.847 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.895 -5.627 0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.195 -6.530 -0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.527 -6.059 1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.761 -7.303 1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.376 -8.626 0.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.388 -7.557 -0.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.215 -7.392 0.659 1.00 0.00 H new ATOM 218 N TYR A 14 -8.671 -3.846 -3.394 1.00 0.00 N ATOM 219 CA TYR A 14 -7.383 -4.153 -4.079 1.00 0.00 C ATOM 220 C TYR A 14 -6.720 -2.864 -4.559 1.00 0.00 C ATOM 221 O TYR A 14 -7.347 -1.831 -4.696 1.00 0.00 O ATOM 222 CB TYR A 14 -7.651 -5.061 -5.281 1.00 0.00 C ATOM 223 CG TYR A 14 -7.962 -6.459 -4.796 1.00 0.00 C ATOM 224 CD1 TYR A 14 -6.981 -7.198 -4.123 1.00 0.00 C ATOM 225 CD2 TYR A 14 -9.226 -7.020 -5.024 1.00 0.00 C ATOM 226 CE1 TYR A 14 -7.264 -8.491 -3.673 1.00 0.00 C ATOM 227 CE2 TYR A 14 -9.509 -8.315 -4.574 1.00 0.00 C ATOM 228 CZ TYR A 14 -8.527 -9.051 -3.901 1.00 0.00 C ATOM 229 OH TYR A 14 -8.804 -10.328 -3.458 1.00 0.00 O ATOM 0 H TYR A 14 -9.340 -3.325 -3.961 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.719 -4.655 -3.375 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.486 -4.673 -5.865 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.782 -5.077 -5.939 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.005 -6.769 -3.951 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.982 -6.453 -5.547 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.508 -9.058 -3.149 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.484 -8.746 -4.746 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.725 -10.564 -3.696 1.00 0.00 H new ATOM 239 N GLY A 15 -5.440 -2.937 -4.803 1.00 0.00 N ATOM 240 CA GLY A 15 -4.684 -1.744 -5.268 1.00 0.00 C ATOM 241 C GLY A 15 -3.341 -2.175 -5.851 1.00 0.00 C ATOM 242 O GLY A 15 -3.077 -3.343 -6.057 1.00 0.00 O ATOM 0 H GLY A 15 -4.881 -3.784 -4.698 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.262 -1.207 -6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.526 -1.056 -4.437 1.00 0.00 H new ATOM 246 N PHE A 16 -2.490 -1.220 -6.116 1.00 0.00 N ATOM 247 CA PHE A 16 -1.148 -1.531 -6.689 1.00 0.00 C ATOM 248 C PHE A 16 -0.114 -0.553 -6.133 1.00 0.00 C ATOM 249 O PHE A 16 -0.409 0.593 -5.843 1.00 0.00 O ATOM 250 CB PHE A 16 -1.200 -1.411 -8.213 1.00 0.00 C ATOM 251 CG PHE A 16 -2.057 -2.520 -8.772 1.00 0.00 C ATOM 252 CD1 PHE A 16 -1.485 -3.762 -9.069 1.00 0.00 C ATOM 253 CD2 PHE A 16 -3.424 -2.307 -8.992 1.00 0.00 C ATOM 254 CE1 PHE A 16 -2.278 -4.792 -9.588 1.00 0.00 C ATOM 255 CE2 PHE A 16 -4.217 -3.339 -9.511 1.00 0.00 C ATOM 256 CZ PHE A 16 -3.644 -4.580 -9.809 1.00 0.00 C ATOM 0 H PHE A 16 -2.669 -0.228 -5.958 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.866 -2.548 -6.416 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.608 -0.441 -8.499 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.194 -1.469 -8.628 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.431 -3.926 -8.898 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.866 -1.349 -8.762 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.836 -5.750 -9.818 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.271 -3.176 -9.681 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.256 -5.375 -10.210 1.00 0.00 H new ATOM 266 N ILE A 17 1.102 -1.014 -5.990 1.00 0.00 N ATOM 267 CA ILE A 17 2.196 -0.147 -5.455 1.00 0.00 C ATOM 268 C ILE A 17 3.447 -0.293 -6.322 1.00 0.00 C ATOM 269 O ILE A 17 3.865 -1.382 -6.663 1.00 0.00 O ATOM 270 CB ILE A 17 2.522 -0.555 -4.017 1.00 0.00 C ATOM 271 CG1 ILE A 17 1.311 -0.270 -3.122 1.00 0.00 C ATOM 272 CG2 ILE A 17 3.726 0.251 -3.524 1.00 0.00 C ATOM 273 CD1 ILE A 17 1.520 -0.915 -1.750 1.00 0.00 C ATOM 0 H ILE A 17 1.387 -1.965 -6.224 1.00 0.00 H new ATOM 0 HA ILE A 17 1.866 0.892 -5.472 1.00 0.00 H new ATOM 0 HB ILE A 17 2.757 -1.619 -3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.173 0.806 -3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.405 -0.661 -3.584 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.962 -0.037 -2.499 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.585 0.050 -4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.490 1.315 -3.557 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.657 -0.710 -1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.636 -1.992 -1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.416 -0.502 -1.287 1.00 0.00 H new ATOM 285 N GLN A 18 4.036 0.819 -6.680 1.00 0.00 N ATOM 286 CA GLN A 18 5.260 0.799 -7.537 1.00 0.00 C ATOM 287 C GLN A 18 6.513 0.912 -6.666 1.00 0.00 C ATOM 288 O GLN A 18 6.768 1.919 -6.034 1.00 0.00 O ATOM 289 CB GLN A 18 5.212 1.977 -8.515 1.00 0.00 C ATOM 290 CG GLN A 18 6.307 1.796 -9.571 1.00 0.00 C ATOM 291 CD GLN A 18 5.939 0.645 -10.512 1.00 0.00 C ATOM 292 OE1 GLN A 18 6.865 -0.196 -10.879 1.00 0.00 O flip ATOM 293 NE2 GLN A 18 4.803 0.515 -10.919 1.00 0.00 N flip ATOM 0 H GLN A 18 3.718 1.750 -6.412 1.00 0.00 H new ATOM 0 HA GLN A 18 5.295 -0.140 -8.090 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.234 2.030 -8.993 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.357 2.916 -7.980 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.431 2.717 -10.140 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.261 1.590 -9.086 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.080 1.174 -10.631 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.572 -0.253 -11.549 1.00 0.00 H new ATOM 302 N GLY A 19 7.286 -0.137 -6.647 1.00 0.00 N ATOM 303 CA GLY A 19 8.537 -0.163 -5.842 1.00 0.00 C ATOM 304 C GLY A 19 9.626 0.655 -6.530 1.00 0.00 C ATOM 305 O GLY A 19 9.558 0.941 -7.708 1.00 0.00 O ATOM 0 H GLY A 19 7.099 -0.995 -7.167 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.346 0.238 -4.847 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.873 -1.192 -5.712 1.00 0.00 H new ATOM 309 N ASP A 20 10.628 1.028 -5.784 1.00 0.00 N ATOM 310 CA ASP A 20 11.747 1.835 -6.348 1.00 0.00 C ATOM 311 C ASP A 20 12.492 1.015 -7.401 1.00 0.00 C ATOM 312 O ASP A 20 12.965 1.541 -8.383 1.00 0.00 O ATOM 313 CB ASP A 20 12.713 2.221 -5.218 1.00 0.00 C ATOM 314 CG ASP A 20 13.884 3.028 -5.787 1.00 0.00 C ATOM 315 OD1 ASP A 20 13.793 3.440 -6.931 1.00 0.00 O ATOM 316 OD2 ASP A 20 14.850 3.221 -5.066 1.00 0.00 O ATOM 0 H ASP A 20 10.721 0.805 -4.793 1.00 0.00 H new ATOM 0 HA ASP A 20 11.348 2.737 -6.812 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.188 2.807 -4.464 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.085 1.324 -4.723 1.00 0.00 H new ATOM 321 N ASP A 21 12.612 -0.272 -7.184 1.00 0.00 N ATOM 322 CA ASP A 21 13.341 -1.144 -8.152 1.00 0.00 C ATOM 323 C ASP A 21 12.392 -1.543 -9.285 1.00 0.00 C ATOM 324 O ASP A 21 12.709 -2.372 -10.111 1.00 0.00 O ATOM 325 CB ASP A 21 13.851 -2.397 -7.429 1.00 0.00 C ATOM 326 CG ASP A 21 14.682 -3.247 -8.394 1.00 0.00 C ATOM 327 OD1 ASP A 21 14.993 -2.756 -9.467 1.00 0.00 O ATOM 328 OD2 ASP A 21 14.996 -4.371 -8.041 1.00 0.00 O ATOM 0 H ASP A 21 12.233 -0.758 -6.371 1.00 0.00 H new ATOM 0 HA ASP A 21 14.191 -0.603 -8.568 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.455 -2.111 -6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.010 -2.977 -7.050 1.00 0.00 H new ATOM 333 N GLY A 22 11.235 -0.933 -9.328 1.00 0.00 N ATOM 334 CA GLY A 22 10.250 -1.233 -10.405 1.00 0.00 C ATOM 335 C GLY A 22 9.510 -2.525 -10.077 1.00 0.00 C ATOM 336 O GLY A 22 8.966 -3.176 -10.944 1.00 0.00 O ATOM 0 H GLY A 22 10.929 -0.232 -8.653 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.541 -0.411 -10.502 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.761 -1.328 -11.363 1.00 0.00 H new ATOM 340 N GLU A 23 9.493 -2.899 -8.824 1.00 0.00 N ATOM 341 CA GLU A 23 8.802 -4.157 -8.412 1.00 0.00 C ATOM 342 C GLU A 23 7.390 -3.843 -7.925 1.00 0.00 C ATOM 343 O GLU A 23 7.191 -3.176 -6.928 1.00 0.00 O ATOM 344 CB GLU A 23 9.594 -4.827 -7.286 1.00 0.00 C ATOM 345 CG GLU A 23 10.959 -5.279 -7.813 1.00 0.00 C ATOM 346 CD GLU A 23 10.771 -6.357 -8.882 1.00 0.00 C ATOM 347 OE1 GLU A 23 10.055 -7.308 -8.617 1.00 0.00 O ATOM 348 OE2 GLU A 23 11.341 -6.210 -9.951 1.00 0.00 O ATOM 0 H GLU A 23 9.932 -2.382 -8.062 1.00 0.00 H new ATOM 0 HA GLU A 23 8.742 -4.829 -9.268 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.726 -4.131 -6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.041 -5.683 -6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.497 -4.429 -8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.565 -5.668 -6.994 1.00 0.00 H new ATOM 355 N SER A 24 6.419 -4.332 -8.641 1.00 0.00 N ATOM 356 CA SER A 24 5.001 -4.093 -8.267 1.00 0.00 C ATOM 357 C SER A 24 4.608 -4.997 -7.107 1.00 0.00 C ATOM 358 O SER A 24 5.075 -6.112 -6.980 1.00 0.00 O ATOM 359 CB SER A 24 4.100 -4.384 -9.467 1.00 0.00 C ATOM 360 OG SER A 24 2.742 -4.230 -9.077 1.00 0.00 O ATOM 0 H SER A 24 6.551 -4.895 -9.481 1.00 0.00 H new ATOM 0 HA SER A 24 4.883 -3.052 -7.965 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.335 -3.705 -10.287 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.274 -5.396 -9.831 1.00 0.00 H new ATOM 0 HG SER A 24 2.159 -4.414 -9.843 1.00 0.00 H new ATOM 366 N TYR A 25 3.741 -4.510 -6.265 1.00 0.00 N ATOM 367 CA TYR A 25 3.279 -5.309 -5.094 1.00 0.00 C ATOM 368 C TYR A 25 1.762 -5.175 -4.950 1.00 0.00 C ATOM 369 O TYR A 25 1.199 -4.104 -5.073 1.00 0.00 O ATOM 370 CB TYR A 25 3.962 -4.798 -3.824 1.00 0.00 C ATOM 371 CG TYR A 25 5.455 -4.993 -3.939 1.00 0.00 C ATOM 372 CD1 TYR A 25 6.020 -6.245 -3.667 1.00 0.00 C ATOM 373 CD2 TYR A 25 6.275 -3.922 -4.316 1.00 0.00 C ATOM 374 CE1 TYR A 25 7.405 -6.425 -3.769 1.00 0.00 C ATOM 375 CE2 TYR A 25 7.661 -4.103 -4.420 1.00 0.00 C ATOM 376 CZ TYR A 25 8.224 -5.355 -4.146 1.00 0.00 C ATOM 377 OH TYR A 25 9.590 -5.535 -4.247 1.00 0.00 O ATOM 0 H TYR A 25 3.327 -3.581 -6.338 1.00 0.00 H new ATOM 0 HA TYR A 25 3.537 -6.357 -5.246 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.733 -3.743 -3.675 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.581 -5.333 -2.954 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.388 -7.072 -3.379 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.839 -2.956 -4.527 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.841 -7.390 -3.557 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.294 -3.278 -4.711 1.00 0.00 H new ATOM 0 HH TYR A 25 9.780 -6.463 -4.498 1.00 0.00 H new ATOM 387 N PHE A 26 1.109 -6.275 -4.693 1.00 0.00 N ATOM 388 CA PHE A 26 -0.372 -6.269 -4.537 1.00 0.00 C ATOM 389 C PHE A 26 -0.741 -5.818 -3.132 1.00 0.00 C ATOM 390 O PHE A 26 -0.076 -6.141 -2.168 1.00 0.00 O ATOM 391 CB PHE A 26 -0.918 -7.681 -4.777 1.00 0.00 C ATOM 392 CG PHE A 26 -0.915 -7.986 -6.257 1.00 0.00 C ATOM 393 CD1 PHE A 26 -2.026 -7.654 -7.041 1.00 0.00 C ATOM 394 CD2 PHE A 26 0.194 -8.612 -6.842 1.00 0.00 C ATOM 395 CE1 PHE A 26 -2.026 -7.940 -8.413 1.00 0.00 C ATOM 396 CE2 PHE A 26 0.192 -8.898 -8.213 1.00 0.00 C ATOM 397 CZ PHE A 26 -0.920 -8.566 -8.997 1.00 0.00 C ATOM 0 H PHE A 26 1.546 -7.190 -4.583 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.805 -5.580 -5.262 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.309 -8.412 -4.245 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.931 -7.761 -4.382 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.883 -7.177 -6.589 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.049 -8.874 -6.236 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.880 -7.677 -9.019 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.049 -9.375 -8.666 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.923 -8.793 -10.053 1.00 0.00 H new ATOM 407 N LEU A 27 -1.809 -5.074 -3.020 1.00 0.00 N ATOM 408 CA LEU A 27 -2.256 -4.581 -1.687 1.00 0.00 C ATOM 409 C LEU A 27 -3.566 -5.262 -1.304 1.00 0.00 C ATOM 410 O LEU A 27 -4.564 -5.181 -1.995 1.00 0.00 O ATOM 411 CB LEU A 27 -2.456 -3.061 -1.753 1.00 0.00 C ATOM 412 CG LEU A 27 -2.588 -2.497 -0.327 1.00 0.00 C ATOM 413 CD1 LEU A 27 -2.414 -0.979 -0.361 1.00 0.00 C ATOM 414 CD2 LEU A 27 -3.970 -2.848 0.264 1.00 0.00 C ATOM 0 H LEU A 27 -2.395 -4.785 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.502 -4.814 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.613 -2.595 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.349 -2.826 -2.332 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.816 -2.940 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.507 -0.579 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.429 -0.735 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.181 -0.539 -0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.048 -2.442 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.753 -2.419 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.086 -3.931 0.299 1.00 0.00 H new ATOM 426 N HIS A 28 -3.552 -5.934 -0.184 1.00 0.00 N ATOM 427 CA HIS A 28 -4.769 -6.643 0.306 1.00 0.00 C ATOM 428 C HIS A 28 -4.901 -6.451 1.819 1.00 0.00 C ATOM 429 O HIS A 28 -3.998 -5.986 2.491 1.00 0.00 O ATOM 430 CB HIS A 28 -4.653 -8.134 -0.013 1.00 0.00 C ATOM 431 CG HIS A 28 -5.979 -8.808 0.232 1.00 0.00 C ATOM 432 ND1 HIS A 28 -7.182 -8.250 -0.173 1.00 0.00 N ATOM 433 CD2 HIS A 28 -6.302 -9.998 0.834 1.00 0.00 C ATOM 434 CE1 HIS A 28 -8.163 -9.098 0.188 1.00 0.00 C ATOM 435 NE2 HIS A 28 -7.681 -10.178 0.806 1.00 0.00 N ATOM 0 H HIS A 28 -2.736 -6.023 0.421 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.650 -6.234 -0.188 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.350 -8.272 -1.051 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.882 -8.590 0.608 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -5.593 -10.690 1.264 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.212 -8.925 0.000 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -8.210 -10.967 1.178 1.00 0.00 H new ATOM 443 N PHE A 29 -6.040 -6.803 2.341 1.00 0.00 N ATOM 444 CA PHE A 29 -6.305 -6.656 3.799 1.00 0.00 C ATOM 445 C PHE A 29 -5.324 -7.521 4.582 1.00 0.00 C ATOM 446 O PHE A 29 -4.865 -7.154 5.641 1.00 0.00 O ATOM 447 CB PHE A 29 -7.743 -7.130 4.087 1.00 0.00 C ATOM 448 CG PHE A 29 -8.726 -6.008 3.825 1.00 0.00 C ATOM 449 CD1 PHE A 29 -8.738 -5.354 2.584 1.00 0.00 C ATOM 450 CD2 PHE A 29 -9.624 -5.621 4.826 1.00 0.00 C ATOM 451 CE1 PHE A 29 -9.649 -4.319 2.351 1.00 0.00 C ATOM 452 CE2 PHE A 29 -10.533 -4.587 4.591 1.00 0.00 C ATOM 453 CZ PHE A 29 -10.546 -3.936 3.354 1.00 0.00 C ATOM 0 H PHE A 29 -6.816 -7.195 1.807 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.186 -5.614 4.097 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.983 -7.988 3.459 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.824 -7.460 5.123 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.045 -5.649 1.810 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.614 -6.123 5.782 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.660 -3.815 1.396 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.226 -4.290 5.365 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.249 -3.137 3.172 1.00 0.00 H new ATOM 463 N SER A 30 -5.031 -8.682 4.064 1.00 0.00 N ATOM 464 CA SER A 30 -4.106 -9.620 4.752 1.00 0.00 C ATOM 465 C SER A 30 -2.729 -8.971 4.888 1.00 0.00 C ATOM 466 O SER A 30 -1.927 -9.367 5.707 1.00 0.00 O ATOM 467 CB SER A 30 -3.985 -10.902 3.918 1.00 0.00 C ATOM 468 OG SER A 30 -5.185 -11.659 4.039 1.00 0.00 O ATOM 0 H SER A 30 -5.401 -9.024 3.177 1.00 0.00 H new ATOM 0 HA SER A 30 -4.492 -9.858 5.743 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.803 -10.653 2.873 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.134 -11.492 4.258 1.00 0.00 H new ATOM 0 HG SER A 30 -5.111 -12.478 3.506 1.00 0.00 H new ATOM 474 N GLU A 31 -2.445 -7.983 4.077 1.00 0.00 N ATOM 475 CA GLU A 31 -1.115 -7.310 4.136 1.00 0.00 C ATOM 476 C GLU A 31 -1.175 -6.124 5.103 1.00 0.00 C ATOM 477 O GLU A 31 -0.162 -5.567 5.470 1.00 0.00 O ATOM 478 CB GLU A 31 -0.743 -6.810 2.734 1.00 0.00 C ATOM 479 CG GLU A 31 -0.476 -8.015 1.825 1.00 0.00 C ATOM 480 CD GLU A 31 -0.164 -7.544 0.400 1.00 0.00 C ATOM 481 OE1 GLU A 31 -0.058 -6.346 0.200 1.00 0.00 O ATOM 482 OE2 GLU A 31 -0.031 -8.395 -0.466 1.00 0.00 O ATOM 0 H GLU A 31 -3.083 -7.613 3.373 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.364 -8.018 4.487 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.550 -6.202 2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.141 -6.174 2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.360 -8.596 2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.345 -8.673 1.816 1.00 0.00 H new ATOM 489 N LEU A 32 -2.355 -5.735 5.525 1.00 0.00 N ATOM 490 CA LEU A 32 -2.479 -4.585 6.479 1.00 0.00 C ATOM 491 C LEU A 32 -2.578 -5.114 7.914 1.00 0.00 C ATOM 492 O LEU A 32 -3.589 -5.644 8.329 1.00 0.00 O ATOM 493 CB LEU A 32 -3.727 -3.758 6.135 1.00 0.00 C ATOM 494 CG LEU A 32 -3.630 -3.257 4.686 1.00 0.00 C ATOM 495 CD1 LEU A 32 -4.917 -2.513 4.311 1.00 0.00 C ATOM 496 CD2 LEU A 32 -2.430 -2.306 4.541 1.00 0.00 C ATOM 0 H LEU A 32 -3.239 -6.164 5.250 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.598 -3.949 6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.624 -4.365 6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.815 -2.913 6.818 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.496 -4.111 4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.846 -2.159 3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.768 -3.188 4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.054 -1.663 4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.367 -1.954 3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.558 -1.454 5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.513 -2.835 4.801 1.00 0.00 H new ATOM 508 N LEU A 33 -1.512 -4.964 8.658 1.00 0.00 N ATOM 509 CA LEU A 33 -1.481 -5.434 10.076 1.00 0.00 C ATOM 510 C LEU A 33 -2.478 -4.637 10.896 1.00 0.00 C ATOM 511 O LEU A 33 -3.183 -5.166 11.729 1.00 0.00 O ATOM 512 CB LEU A 33 -0.069 -5.212 10.652 1.00 0.00 C ATOM 513 CG LEU A 33 0.862 -6.340 10.191 1.00 0.00 C ATOM 514 CD1 LEU A 33 0.453 -7.666 10.860 1.00 0.00 C ATOM 515 CD2 LEU A 33 0.774 -6.482 8.663 1.00 0.00 C ATOM 0 H LEU A 33 -0.647 -4.528 8.337 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.737 -6.493 10.113 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.321 -4.249 10.323 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.110 -5.184 11.741 1.00 0.00 H new ATOM 0 HG LEU A 33 1.886 -6.100 10.477 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.119 -8.462 10.527 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.522 -7.564 11.943 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.572 -7.912 10.584 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.435 -7.283 8.333 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.251 -6.717 8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.076 -5.546 8.193 1.00 0.00 H new ATOM 527 N ASP A 34 -2.522 -3.352 10.666 1.00 0.00 N ATOM 528 CA ASP A 34 -3.457 -2.459 11.414 1.00 0.00 C ATOM 529 C ASP A 34 -4.531 -1.967 10.446 1.00 0.00 C ATOM 530 O ASP A 34 -4.383 -0.952 9.797 1.00 0.00 O ATOM 531 CB ASP A 34 -2.680 -1.271 11.986 1.00 0.00 C ATOM 532 CG ASP A 34 -1.826 -1.737 13.167 1.00 0.00 C ATOM 533 OD1 ASP A 34 -2.068 -2.831 13.652 1.00 0.00 O ATOM 534 OD2 ASP A 34 -0.947 -0.993 13.568 1.00 0.00 O ATOM 0 H ASP A 34 -1.939 -2.874 9.979 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.923 -3.001 12.237 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.045 -0.834 11.215 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.371 -0.493 12.309 1.00 0.00 H new ATOM 539 N LYS A 35 -5.603 -2.702 10.351 1.00 0.00 N ATOM 540 CA LYS A 35 -6.716 -2.330 9.427 1.00 0.00 C ATOM 541 C LYS A 35 -7.076 -0.866 9.634 1.00 0.00 C ATOM 542 O LYS A 35 -7.679 -0.243 8.789 1.00 0.00 O ATOM 543 CB LYS A 35 -7.935 -3.210 9.721 1.00 0.00 C ATOM 544 CG LYS A 35 -7.521 -4.685 9.682 1.00 0.00 C ATOM 545 CD LYS A 35 -7.017 -5.040 8.279 1.00 0.00 C ATOM 546 CE LYS A 35 -7.028 -6.555 8.095 1.00 0.00 C ATOM 547 NZ LYS A 35 -6.069 -7.176 9.049 1.00 0.00 N ATOM 0 H LYS A 35 -5.760 -3.559 10.882 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.403 -2.481 8.394 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.348 -2.963 10.699 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.719 -3.022 8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.740 -4.874 10.419 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.368 -5.318 9.946 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.648 -4.568 7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.008 -4.654 8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.031 -6.946 8.265 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.756 -6.810 7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.974 -8.189 8.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.141 -6.714 8.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.421 -7.059 10.021 1.00 0.00 H new ATOM 561 N LYS A 36 -6.702 -0.314 10.755 1.00 0.00 N ATOM 562 CA LYS A 36 -6.996 1.109 11.034 1.00 0.00 C ATOM 563 C LYS A 36 -6.207 1.980 10.052 1.00 0.00 C ATOM 564 O LYS A 36 -6.659 3.022 9.632 1.00 0.00 O ATOM 565 CB LYS A 36 -6.582 1.430 12.478 1.00 0.00 C ATOM 566 CG LYS A 36 -6.559 2.945 12.685 1.00 0.00 C ATOM 567 CD LYS A 36 -6.515 3.276 14.189 1.00 0.00 C ATOM 568 CE LYS A 36 -7.942 3.384 14.736 1.00 0.00 C ATOM 569 NZ LYS A 36 -8.535 4.689 14.326 1.00 0.00 N ATOM 0 H LYS A 36 -6.198 -0.800 11.497 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.061 1.308 10.915 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.279 0.969 13.177 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.598 1.010 12.686 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.691 3.374 12.185 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.443 3.395 12.232 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.967 2.501 14.726 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.982 4.213 14.350 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.550 2.562 14.359 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.933 3.302 15.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.366 4.893 14.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.830 5.444 14.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.823 4.641 13.328 1.00 0.00 H new ATOM 583 N ASP A 37 -5.011 1.558 9.718 1.00 0.00 N ATOM 584 CA ASP A 37 -4.146 2.347 8.788 1.00 0.00 C ATOM 585 C ASP A 37 -4.741 2.305 7.377 1.00 0.00 C ATOM 586 O ASP A 37 -4.336 3.037 6.500 1.00 0.00 O ATOM 587 CB ASP A 37 -2.733 1.735 8.756 1.00 0.00 C ATOM 588 CG ASP A 37 -2.001 2.003 10.077 1.00 0.00 C ATOM 589 OD1 ASP A 37 -2.519 2.757 10.884 1.00 0.00 O ATOM 590 OD2 ASP A 37 -0.928 1.445 10.258 1.00 0.00 O ATOM 0 H ASP A 37 -4.594 0.690 10.055 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.092 3.379 9.135 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.799 0.661 8.582 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.166 2.158 7.927 1.00 0.00 H new ATOM 595 N GLU A 38 -5.693 1.435 7.163 1.00 0.00 N ATOM 596 CA GLU A 38 -6.328 1.302 5.821 1.00 0.00 C ATOM 597 C GLU A 38 -7.103 2.580 5.491 1.00 0.00 C ATOM 598 O GLU A 38 -7.186 2.993 4.354 1.00 0.00 O ATOM 599 CB GLU A 38 -7.293 0.108 5.847 1.00 0.00 C ATOM 600 CG GLU A 38 -7.844 -0.145 4.441 1.00 0.00 C ATOM 601 CD GLU A 38 -8.759 -1.372 4.458 1.00 0.00 C ATOM 602 OE1 GLU A 38 -8.690 -2.129 5.413 1.00 0.00 O ATOM 603 OE2 GLU A 38 -9.509 -1.536 3.510 1.00 0.00 O ATOM 0 H GLU A 38 -6.062 0.802 7.873 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.562 1.144 5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.777 -0.781 6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.112 0.306 6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.397 0.728 4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.023 -0.301 3.741 1.00 0.00 H new ATOM 610 N GLY A 39 -7.688 3.191 6.487 1.00 0.00 N ATOM 611 CA GLY A 39 -8.485 4.432 6.268 1.00 0.00 C ATOM 612 C GLY A 39 -7.559 5.646 6.252 1.00 0.00 C ATOM 613 O GLY A 39 -7.979 6.748 5.964 1.00 0.00 O ATOM 0 H GLY A 39 -7.646 2.877 7.457 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.028 4.365 5.325 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.229 4.541 7.057 1.00 0.00 H new ATOM 617 N LYS A 40 -6.306 5.453 6.576 1.00 0.00 N ATOM 618 CA LYS A 40 -5.332 6.591 6.599 1.00 0.00 C ATOM 619 C LYS A 40 -4.366 6.465 5.416 1.00 0.00 C ATOM 620 O LYS A 40 -3.333 7.099 5.378 1.00 0.00 O ATOM 621 CB LYS A 40 -4.545 6.562 7.915 1.00 0.00 C ATOM 622 CG LYS A 40 -5.493 6.846 9.086 1.00 0.00 C ATOM 623 CD LYS A 40 -4.687 7.027 10.383 1.00 0.00 C ATOM 624 CE LYS A 40 -4.061 5.693 10.808 1.00 0.00 C ATOM 625 NZ LYS A 40 -3.615 5.771 12.230 1.00 0.00 N ATOM 0 H LYS A 40 -5.910 4.547 6.828 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.873 7.534 6.521 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.070 5.589 8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.748 7.305 7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.077 7.744 8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.201 6.025 9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.906 7.772 10.233 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.337 7.401 11.174 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.785 4.887 10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.213 5.458 10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.192 4.864 12.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.910 6.528 12.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.432 5.975 12.840 1.00 0.00 H new ATOM 639 N LEU A 41 -4.701 5.646 4.448 1.00 0.00 N ATOM 640 CA LEU A 41 -3.816 5.462 3.258 1.00 0.00 C ATOM 641 C LEU A 41 -3.798 6.732 2.422 1.00 0.00 C ATOM 642 O LEU A 41 -4.745 7.492 2.403 1.00 0.00 O ATOM 643 CB LEU A 41 -4.338 4.307 2.396 1.00 0.00 C ATOM 644 CG LEU A 41 -4.221 2.992 3.173 1.00 0.00 C ATOM 645 CD1 LEU A 41 -4.907 1.869 2.389 1.00 0.00 C ATOM 646 CD2 LEU A 41 -2.738 2.640 3.392 1.00 0.00 C ATOM 0 H LEU A 41 -5.558 5.093 4.433 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.807 5.238 3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.377 4.487 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.768 4.245 1.469 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.706 3.106 4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.823 0.934 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.960 2.114 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.427 1.759 1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.664 1.704 3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.243 2.531 2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.255 3.436 3.959 1.00 0.00 H new ATOM 658 N VAL A 42 -2.709 6.962 1.731 1.00 0.00 N ATOM 659 CA VAL A 42 -2.587 8.185 0.883 1.00 0.00 C ATOM 660 C VAL A 42 -2.303 7.781 -0.560 1.00 0.00 C ATOM 661 O VAL A 42 -1.475 6.938 -0.844 1.00 0.00 O ATOM 662 CB VAL A 42 -1.452 9.068 1.416 1.00 0.00 C ATOM 663 CG1 VAL A 42 -0.142 8.277 1.505 1.00 0.00 C ATOM 664 CG2 VAL A 42 -1.271 10.268 0.483 1.00 0.00 C ATOM 0 H VAL A 42 -1.894 6.349 1.719 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.521 8.747 0.917 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.711 9.411 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.648 8.924 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.273 7.430 2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.132 7.914 0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.465 10.901 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.022 9.916 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.196 10.843 0.446 1.00 0.00 H new ATOM 674 N LYS A 43 -3.022 8.383 -1.466 1.00 0.00 N ATOM 675 CA LYS A 43 -2.863 8.073 -2.913 1.00 0.00 C ATOM 676 C LYS A 43 -2.007 9.139 -3.597 1.00 0.00 C ATOM 677 O LYS A 43 -2.220 10.326 -3.442 1.00 0.00 O ATOM 678 CB LYS A 43 -4.247 8.026 -3.574 1.00 0.00 C ATOM 679 CG LYS A 43 -4.096 7.622 -5.046 1.00 0.00 C ATOM 680 CD LYS A 43 -5.478 7.518 -5.698 1.00 0.00 C ATOM 681 CE LYS A 43 -5.325 7.097 -7.162 1.00 0.00 C ATOM 682 NZ LYS A 43 -6.674 6.972 -7.787 1.00 0.00 N ATOM 0 H LYS A 43 -3.727 9.091 -1.259 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.368 7.108 -3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.886 7.313 -3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.730 9.000 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.489 8.357 -5.574 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.576 6.667 -5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.090 6.792 -5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.993 8.477 -5.637 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.729 7.832 -7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.794 6.147 -7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.571 6.686 -8.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.228 6.255 -7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.165 7.888 -7.739 1.00 0.00 H new ATOM 696 N GLY A 44 -1.064 8.698 -4.382 1.00 0.00 N ATOM 697 CA GLY A 44 -0.182 9.631 -5.140 1.00 0.00 C ATOM 698 C GLY A 44 1.094 9.919 -4.349 1.00 0.00 C ATOM 699 O GLY A 44 2.104 10.287 -4.911 1.00 0.00 O ATOM 0 H GLY A 44 -0.863 7.710 -4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.072 9.197 -6.107 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.712 10.562 -5.339 1.00 0.00 H new ATOM 703 N SER A 45 1.049 9.771 -3.050 1.00 0.00 N ATOM 704 CA SER A 45 2.252 10.057 -2.213 1.00 0.00 C ATOM 705 C SER A 45 3.100 8.795 -2.036 1.00 0.00 C ATOM 706 O SER A 45 2.801 7.735 -2.564 1.00 0.00 O ATOM 707 CB SER A 45 1.816 10.574 -0.840 1.00 0.00 C ATOM 708 OG SER A 45 0.820 11.576 -1.008 1.00 0.00 O ATOM 0 H SER A 45 0.227 9.463 -2.531 1.00 0.00 H new ATOM 0 HA SER A 45 2.851 10.815 -2.718 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.425 9.754 -0.238 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.673 10.983 -0.304 1.00 0.00 H new ATOM 0 HG SER A 45 0.874 12.218 -0.269 1.00 0.00 H new ATOM 714 N MET A 46 4.171 8.928 -1.297 1.00 0.00 N ATOM 715 CA MET A 46 5.087 7.781 -1.063 1.00 0.00 C ATOM 716 C MET A 46 4.572 6.898 0.066 1.00 0.00 C ATOM 717 O MET A 46 3.954 7.356 1.005 1.00 0.00 O ATOM 718 CB MET A 46 6.477 8.306 -0.700 1.00 0.00 C ATOM 719 CG MET A 46 7.106 8.970 -1.927 1.00 0.00 C ATOM 720 SD MET A 46 8.770 9.553 -1.515 1.00 0.00 S ATOM 721 CE MET A 46 9.067 10.487 -3.036 1.00 0.00 C ATOM 0 H MET A 46 4.450 9.797 -0.841 1.00 0.00 H new ATOM 0 HA MET A 46 5.138 7.187 -1.975 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.405 9.023 0.118 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.108 7.488 -0.352 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.152 8.261 -2.753 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.489 9.805 -2.258 1.00 0.00 H new ATOM 0 HE1 MET A 46 10.057 10.941 -2.997 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.010 9.815 -3.893 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.313 11.268 -3.136 1.00 0.00 H new ATOM 731 N VAL A 47 4.849 5.625 -0.029 1.00 0.00 N ATOM 732 CA VAL A 47 4.409 4.661 1.021 1.00 0.00 C ATOM 733 C VAL A 47 5.576 3.752 1.391 1.00 0.00 C ATOM 734 O VAL A 47 6.533 3.615 0.653 1.00 0.00 O ATOM 735 CB VAL A 47 3.247 3.816 0.494 1.00 0.00 C ATOM 736 CG1 VAL A 47 2.049 4.723 0.221 1.00 0.00 C ATOM 737 CG2 VAL A 47 3.651 3.101 -0.804 1.00 0.00 C ATOM 0 H VAL A 47 5.369 5.207 -0.801 1.00 0.00 H new ATOM 0 HA VAL A 47 4.080 5.211 1.903 1.00 0.00 H new ATOM 0 HB VAL A 47 2.985 3.067 1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.218 4.125 -0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.750 5.219 1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.322 5.473 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.814 2.504 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.922 3.840 -1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.504 2.450 -0.611 1.00 0.00 H new ATOM 747 N HIS A 48 5.499 3.136 2.543 1.00 0.00 N ATOM 748 CA HIS A 48 6.596 2.229 3.005 1.00 0.00 C ATOM 749 C HIS A 48 6.055 0.827 3.249 1.00 0.00 C ATOM 750 O HIS A 48 5.122 0.618 4.000 1.00 0.00 O ATOM 751 CB HIS A 48 7.205 2.775 4.296 1.00 0.00 C ATOM 752 CG HIS A 48 8.349 1.889 4.711 1.00 0.00 C ATOM 753 ND1 HIS A 48 8.148 0.630 5.257 1.00 0.00 N ATOM 754 CD2 HIS A 48 9.709 2.065 4.663 1.00 0.00 C ATOM 755 CE1 HIS A 48 9.359 0.102 5.512 1.00 0.00 C ATOM 756 NE2 HIS A 48 10.346 0.936 5.169 1.00 0.00 N ATOM 0 H HIS A 48 4.716 3.223 3.190 1.00 0.00 H new ATOM 0 HA HIS A 48 7.362 2.182 2.231 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.555 3.796 4.145 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.451 2.810 5.083 1.00 0.00 H new ATOM 0 HD2 HIS A 48 10.209 2.946 4.289 1.00 0.00 H new ATOM 0 HE1 HIS A 48 9.515 -0.877 5.942 1.00 0.00 H new ATOM 0 HE2 HIS A 48 11.350 0.779 5.259 1.00 0.00 H new ATOM 764 N PHE A 49 6.665 -0.135 2.612 1.00 0.00 N ATOM 765 CA PHE A 49 6.248 -1.558 2.767 1.00 0.00 C ATOM 766 C PHE A 49 7.489 -2.440 2.867 1.00 0.00 C ATOM 767 O PHE A 49 8.536 -2.123 2.332 1.00 0.00 O ATOM 768 CB PHE A 49 5.411 -1.984 1.559 1.00 0.00 C ATOM 769 CG PHE A 49 6.221 -1.866 0.284 1.00 0.00 C ATOM 770 CD1 PHE A 49 6.972 -2.957 -0.177 1.00 0.00 C ATOM 771 CD2 PHE A 49 6.202 -0.673 -0.453 1.00 0.00 C ATOM 772 CE1 PHE A 49 7.708 -2.852 -1.364 1.00 0.00 C ATOM 773 CE2 PHE A 49 6.941 -0.567 -1.640 1.00 0.00 C ATOM 774 CZ PHE A 49 7.690 -1.659 -2.097 1.00 0.00 C ATOM 0 H PHE A 49 7.451 0.009 1.978 1.00 0.00 H new ATOM 0 HA PHE A 49 5.651 -1.665 3.673 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.073 -3.012 1.688 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.519 -1.361 1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.983 -3.880 0.384 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.617 0.166 -0.106 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.290 -3.692 -1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.933 0.356 -2.201 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.254 -1.581 -3.015 1.00 0.00 H new ATOM 784 N ASP A 50 7.372 -3.549 3.561 1.00 0.00 N ATOM 785 CA ASP A 50 8.533 -4.467 3.722 1.00 0.00 C ATOM 786 C ASP A 50 8.357 -5.686 2.792 1.00 0.00 C ATOM 787 O ASP A 50 7.310 -6.311 2.779 1.00 0.00 O ATOM 788 CB ASP A 50 8.642 -4.959 5.169 1.00 0.00 C ATOM 789 CG ASP A 50 8.563 -3.778 6.144 1.00 0.00 C ATOM 790 OD1 ASP A 50 7.592 -3.041 6.078 1.00 0.00 O ATOM 791 OD2 ASP A 50 9.468 -3.644 6.954 1.00 0.00 O ATOM 0 H ASP A 50 6.515 -3.854 4.023 1.00 0.00 H new ATOM 0 HA ASP A 50 9.441 -3.922 3.464 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.841 -5.667 5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.583 -5.491 5.309 1.00 0.00 H new ATOM 796 N PRO A 51 9.373 -6.030 2.038 1.00 0.00 N ATOM 797 CA PRO A 51 9.331 -7.198 1.112 1.00 0.00 C ATOM 798 C PRO A 51 8.798 -8.467 1.774 1.00 0.00 C ATOM 799 O PRO A 51 9.083 -8.754 2.919 1.00 0.00 O ATOM 800 CB PRO A 51 10.805 -7.387 0.707 1.00 0.00 C ATOM 801 CG PRO A 51 11.432 -6.040 0.860 1.00 0.00 C ATOM 802 CD PRO A 51 10.667 -5.330 1.968 1.00 0.00 C ATOM 0 HA PRO A 51 8.658 -7.018 0.274 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.296 -8.124 1.343 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.888 -7.745 -0.319 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.488 -6.130 1.114 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.376 -5.478 -0.072 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.200 -5.388 2.917 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.533 -4.272 1.742 1.00 0.00 H new ATOM 810 N THR A 52 8.027 -9.228 1.038 1.00 0.00 N ATOM 811 CA THR A 52 7.457 -10.490 1.583 1.00 0.00 C ATOM 812 C THR A 52 7.651 -11.626 0.561 1.00 0.00 C ATOM 813 O THR A 52 7.657 -11.400 -0.636 1.00 0.00 O ATOM 814 CB THR A 52 5.954 -10.283 1.878 1.00 0.00 C ATOM 815 OG1 THR A 52 5.628 -10.897 3.117 1.00 0.00 O ATOM 816 CG2 THR A 52 5.081 -10.885 0.769 1.00 0.00 C ATOM 0 H THR A 52 7.768 -9.023 0.073 1.00 0.00 H new ATOM 0 HA THR A 52 7.968 -10.759 2.507 1.00 0.00 H new ATOM 0 HB THR A 52 5.759 -9.212 1.924 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.676 -10.765 3.307 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.029 -10.723 1.006 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.317 -10.405 -0.181 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.275 -11.955 0.693 1.00 0.00 H new ATOM 895 N LEU A 58 4.449 -11.169 -6.350 1.00 0.00 N ATOM 896 CA LEU A 58 4.961 -10.231 -5.309 1.00 0.00 C ATOM 897 C LEU A 58 3.816 -9.769 -4.415 1.00 0.00 C ATOM 898 O LEU A 58 2.657 -9.899 -4.748 1.00 0.00 O ATOM 899 CB LEU A 58 5.617 -9.017 -5.967 1.00 0.00 C ATOM 900 CG LEU A 58 6.633 -9.486 -7.014 1.00 0.00 C ATOM 901 CD1 LEU A 58 7.233 -8.270 -7.725 1.00 0.00 C ATOM 902 CD2 LEU A 58 7.752 -10.286 -6.333 1.00 0.00 C ATOM 0 HA LEU A 58 5.703 -10.753 -4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.858 -8.391 -6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.113 -8.406 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 58 6.130 -10.122 -7.742 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.956 -8.604 -8.470 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.439 -7.707 -8.216 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.732 -7.632 -6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.471 -10.617 -7.083 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.256 -9.656 -5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.325 -11.155 -5.832 1.00 0.00 H new ATOM 914 N ALA A 59 4.151 -9.230 -3.273 1.00 0.00 N ATOM 915 CA ALA A 59 3.107 -8.746 -2.333 1.00 0.00 C ATOM 916 C ALA A 59 3.721 -7.759 -1.339 1.00 0.00 C ATOM 917 O ALA A 59 4.901 -7.796 -1.046 1.00 0.00 O ATOM 918 CB ALA A 59 2.507 -9.928 -1.573 1.00 0.00 C ATOM 0 H ALA A 59 5.111 -9.105 -2.952 1.00 0.00 H new ATOM 0 HA ALA A 59 2.323 -8.245 -2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.742 -9.568 -0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.059 -10.626 -2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.291 -10.435 -1.011 1.00 0.00 H new ATOM 924 N ALA A 60 2.908 -6.874 -0.825 1.00 0.00 N ATOM 925 CA ALA A 60 3.398 -5.860 0.153 1.00 0.00 C ATOM 926 C ALA A 60 3.079 -6.313 1.572 1.00 0.00 C ATOM 927 O ALA A 60 2.122 -7.021 1.816 1.00 0.00 O ATOM 928 CB ALA A 60 2.714 -4.517 -0.117 1.00 0.00 C ATOM 0 H ALA A 60 1.914 -6.810 -1.044 1.00 0.00 H new ATOM 0 HA ALA A 60 4.477 -5.750 0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.072 -3.776 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.947 -4.187 -1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.635 -4.631 -0.012 1.00 0.00 H new ATOM 934 N LYS A 61 3.890 -5.902 2.507 1.00 0.00 N ATOM 935 CA LYS A 61 3.676 -6.287 3.932 1.00 0.00 C ATOM 936 C LYS A 61 3.979 -5.095 4.850 1.00 0.00 C ATOM 937 O LYS A 61 4.934 -4.367 4.662 1.00 0.00 O ATOM 938 CB LYS A 61 4.596 -7.457 4.290 1.00 0.00 C ATOM 939 CG LYS A 61 4.306 -7.914 5.722 1.00 0.00 C ATOM 940 CD LYS A 61 5.181 -9.122 6.065 1.00 0.00 C ATOM 941 CE LYS A 61 4.883 -9.584 7.493 1.00 0.00 C ATOM 942 NZ LYS A 61 5.742 -10.757 7.826 1.00 0.00 N ATOM 0 H LYS A 61 4.703 -5.308 2.343 1.00 0.00 H new ATOM 0 HA LYS A 61 2.637 -6.586 4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.440 -8.282 3.595 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.639 -7.155 4.197 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.502 -7.101 6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.253 -8.175 5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.990 -9.933 5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.235 -8.859 5.970 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.070 -8.772 8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.831 -9.852 7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.540 -11.071 8.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.543 -11.533 7.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.743 -10.486 7.752 1.00 0.00 H new ATOM 956 N ALA A 62 3.151 -4.921 5.846 1.00 0.00 N ATOM 957 CA ALA A 62 3.320 -3.810 6.827 1.00 0.00 C ATOM 958 C ALA A 62 3.370 -2.469 6.100 1.00 0.00 C ATOM 959 O ALA A 62 4.372 -1.788 6.095 1.00 0.00 O ATOM 960 CB ALA A 62 4.593 -4.026 7.641 1.00 0.00 C ATOM 0 H ALA A 62 2.344 -5.519 6.024 1.00 0.00 H new ATOM 0 HA ALA A 62 2.468 -3.801 7.506 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.711 -3.211 8.355 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.526 -4.972 8.178 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.453 -4.049 6.972 1.00 0.00 H new ATOM 966 N ILE A 63 2.271 -2.093 5.497 1.00 0.00 N ATOM 967 CA ILE A 63 2.210 -0.798 4.764 1.00 0.00 C ATOM 968 C ILE A 63 1.978 0.339 5.751 1.00 0.00 C ATOM 969 O ILE A 63 1.095 0.288 6.587 1.00 0.00 O ATOM 970 CB ILE A 63 1.073 -0.829 3.740 1.00 0.00 C ATOM 971 CG1 ILE A 63 1.388 -1.870 2.661 1.00 0.00 C ATOM 972 CG2 ILE A 63 0.935 0.552 3.094 1.00 0.00 C ATOM 973 CD1 ILE A 63 0.162 -2.083 1.769 1.00 0.00 C ATOM 0 H ILE A 63 1.407 -2.635 5.483 1.00 0.00 H new ATOM 0 HA ILE A 63 3.154 -0.639 4.243 1.00 0.00 H new ATOM 0 HB ILE A 63 0.140 -1.093 4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.234 -1.538 2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.678 -2.812 3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.126 0.533 2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.713 1.293 3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.868 0.815 2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.393 -2.824 1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.672 -2.435 2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.109 -1.141 1.292 1.00 0.00 H new ATOM 985 N SER A 64 2.779 1.363 5.652 1.00 0.00 N ATOM 986 CA SER A 64 2.650 2.531 6.570 1.00 0.00 C ATOM 987 C SER A 64 2.652 3.824 5.763 1.00 0.00 C ATOM 988 O SER A 64 3.011 3.854 4.602 1.00 0.00 O ATOM 989 CB SER A 64 3.823 2.546 7.548 1.00 0.00 C ATOM 990 OG SER A 64 3.768 1.382 8.357 1.00 0.00 O ATOM 0 H SER A 64 3.528 1.442 4.964 1.00 0.00 H new ATOM 0 HA SER A 64 1.714 2.449 7.122 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.766 2.581 7.003 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.782 3.439 8.171 1.00 0.00 H new ATOM 0 HG SER A 64 4.520 1.385 8.986 1.00 0.00 H new ATOM 996 N LEU A 65 2.241 4.895 6.393 1.00 0.00 N ATOM 997 CA LEU A 65 2.190 6.225 5.712 1.00 0.00 C ATOM 998 C LEU A 65 3.101 7.218 6.449 1.00 0.00 C ATOM 999 O LEU A 65 2.638 8.025 7.231 1.00 0.00 O ATOM 1000 CB LEU A 65 0.752 6.748 5.725 1.00 0.00 C ATOM 1001 CG LEU A 65 0.110 6.531 7.115 1.00 0.00 C ATOM 1002 CD1 LEU A 65 -0.834 7.695 7.434 1.00 0.00 C ATOM 1003 CD2 LEU A 65 -0.686 5.218 7.118 1.00 0.00 C ATOM 0 H LEU A 65 1.934 4.904 7.366 1.00 0.00 H new ATOM 0 HA LEU A 65 2.531 6.117 4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.742 7.809 5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.165 6.235 4.963 1.00 0.00 H new ATOM 0 HG LEU A 65 0.897 6.482 7.868 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.285 7.540 8.414 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.272 8.629 7.437 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.618 7.746 6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.137 5.068 8.099 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.470 5.266 6.362 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.017 4.387 6.895 1.00 0.00 H new ATOM 1015 N PRO A 66 4.383 7.152 6.210 1.00 0.00 N ATOM 1016 CA PRO A 66 5.368 8.057 6.864 1.00 0.00 C ATOM 1017 C PRO A 66 5.399 9.435 6.187 1.00 0.00 C ATOM 1018 O PRO A 66 6.332 10.197 6.346 1.00 0.00 O ATOM 1019 CB PRO A 66 6.695 7.305 6.697 1.00 0.00 C ATOM 1020 CG PRO A 66 6.540 6.520 5.430 1.00 0.00 C ATOM 1021 CD PRO A 66 5.043 6.210 5.284 1.00 0.00 C ATOM 0 HA PRO A 66 5.132 8.269 7.907 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.535 7.997 6.632 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.887 6.649 7.546 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.902 7.090 4.575 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.124 5.600 5.471 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.704 6.358 4.258 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.824 5.175 5.546 1.00 0.00 H new