USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 776 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 39 SER OG : rot 28:sc= 1.11 USER MOD Set 1.2: A 107 GLN : amide:sc= -1.85 K(o=-0.74,f=-2.8!) USER MOD Single : A 3 THR OG1 : rot 62:sc= 0.735 USER MOD Single : A 7 SER OG : rot 180:sc= -0.673 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0919 X(o=-0.092,f=-0.0036) USER MOD Single : A 23 SER OG : rot 65:sc= 0.203 USER MOD Single : A 25 SER OG : rot 180:sc= -0.445 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.861 K(o=0.86,f=-0.036) USER MOD Single : A 33 SER OG : rot 137:sc= 0.0402 USER MOD Single : A 35 MET CE :methyl -158:sc= -0.936 (180deg=-3.25!) USER MOD Single : A 36 SER OG : rot 180:sc=-0.000538 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -53:sc= 0.012 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -5.53! C(o=-5.5!,f=-1.7!) USER MOD Single : A 44 LYS NZ :NH3+ -137:sc= 1.18 (180deg=0.0265) USER MOD Single : A 52 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.12) USER MOD Single : A 54 GLN : amide:sc= -0.942 K(o=-0.94,f=-2!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.754 X(o=-0.75,f=-0.35) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -82:sc= 1.46 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -89:sc= 0.187 USER MOD Single : A 83 LYS NZ :NH3+ -112:sc= 0.0241 (180deg=-1.41!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.755 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -4.86! C(o=-4.9!,f=-4.1!) USER MOD Single : A 105 MET CE :methyl 177:sc= -0.631 (180deg=-0.665) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 1.914 -5.118 -1.952 1.00 0.00 N ATOM 32 CA THR A 3 0.669 -5.764 -1.558 1.00 0.00 C ATOM 33 C THR A 3 -0.453 -4.745 -1.397 1.00 0.00 C ATOM 34 O THR A 3 -1.213 -4.791 -0.429 1.00 0.00 O ATOM 35 CB THR A 3 0.833 -6.542 -0.238 1.00 0.00 C ATOM 36 OG1 THR A 3 0.870 -5.631 0.866 1.00 0.00 O ATOM 37 CG2 THR A 3 2.104 -7.377 -0.257 1.00 0.00 C ATOM 0 HA THR A 3 0.410 -6.462 -2.354 1.00 0.00 H new ATOM 0 HB THR A 3 -0.020 -7.211 -0.127 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.025 -5.136 0.910 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.199 -7.917 0.685 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.059 -8.089 -1.081 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.967 -6.724 -0.389 1.00 0.00 H new ATOM 45 N ASP A 4 -0.552 -3.826 -2.351 1.00 0.00 N ATOM 46 CA ASP A 4 -1.583 -2.795 -2.316 1.00 0.00 C ATOM 47 C ASP A 4 -2.961 -3.395 -2.576 1.00 0.00 C ATOM 48 O ASP A 4 -3.762 -3.558 -1.655 1.00 0.00 O ATOM 49 CB ASP A 4 -1.283 -1.708 -3.350 1.00 0.00 C ATOM 50 CG ASP A 4 -2.502 -0.869 -3.679 1.00 0.00 C ATOM 51 OD1 ASP A 4 -3.298 -0.593 -2.757 1.00 0.00 O ATOM 52 OD2 ASP A 4 -2.661 -0.489 -4.858 1.00 0.00 O ATOM 0 H ASP A 4 0.069 -3.774 -3.158 1.00 0.00 H new ATOM 0 HA ASP A 4 -1.582 -2.349 -1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.491 -1.061 -2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -0.908 -2.172 -4.262 1.00 0.00 H new ATOM 57 N ILE A 5 -3.229 -3.722 -3.836 1.00 0.00 N ATOM 58 CA ILE A 5 -4.510 -4.304 -4.217 1.00 0.00 C ATOM 59 C ILE A 5 -4.580 -5.778 -3.832 1.00 0.00 C ATOM 60 O ILE A 5 -5.666 -6.340 -3.677 1.00 0.00 O ATOM 61 CB ILE A 5 -4.763 -4.168 -5.730 1.00 0.00 C ATOM 62 CG1 ILE A 5 -6.239 -3.867 -5.998 1.00 0.00 C ATOM 63 CG2 ILE A 5 -4.336 -5.436 -6.454 1.00 0.00 C ATOM 64 CD1 ILE A 5 -6.541 -2.390 -6.124 1.00 0.00 C ATOM 0 H ILE A 5 -2.577 -3.594 -4.610 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.280 -3.752 -3.677 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.168 -3.338 -6.110 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.544 -4.371 -6.915 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.839 -4.285 -5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.521 -5.325 -7.522 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.273 -5.611 -6.286 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.907 -6.282 -6.073 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.605 -2.251 -6.313 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.268 -1.883 -5.199 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.968 -1.971 -6.951 1.00 0.00 H new ATOM 76 N LEU A 6 -3.417 -6.399 -3.676 1.00 0.00 N ATOM 77 CA LEU A 6 -3.345 -7.808 -3.306 1.00 0.00 C ATOM 78 C LEU A 6 -3.261 -7.970 -1.792 1.00 0.00 C ATOM 79 O LEU A 6 -3.478 -7.018 -1.042 1.00 0.00 O ATOM 80 CB LEU A 6 -2.135 -8.469 -3.969 1.00 0.00 C ATOM 81 CG LEU A 6 -2.431 -9.683 -4.849 1.00 0.00 C ATOM 82 CD1 LEU A 6 -2.780 -10.891 -3.993 1.00 0.00 C ATOM 83 CD2 LEU A 6 -3.559 -9.374 -5.823 1.00 0.00 C ATOM 0 H LEU A 6 -2.510 -5.949 -3.800 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.255 -8.296 -3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.625 -7.721 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.439 -8.773 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.535 -9.917 -5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.988 -11.746 -4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.942 -11.126 -3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.661 -10.668 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.756 -10.250 -6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.459 -9.113 -5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.271 -8.538 -6.460 1.00 0.00 H new ATOM 95 N SER A 7 -2.943 -9.182 -1.348 1.00 0.00 N ATOM 96 CA SER A 7 -2.832 -9.470 0.077 1.00 0.00 C ATOM 97 C SER A 7 -1.489 -10.119 0.397 1.00 0.00 C ATOM 98 O SER A 7 -0.929 -10.873 -0.400 1.00 0.00 O ATOM 99 CB SER A 7 -3.973 -10.384 0.525 1.00 0.00 C ATOM 100 OG SER A 7 -3.730 -10.907 1.820 1.00 0.00 O ATOM 0 H SER A 7 -2.758 -9.980 -1.955 1.00 0.00 H new ATOM 0 HA SER A 7 -2.898 -8.527 0.619 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.910 -9.828 0.524 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.088 -11.203 -0.186 1.00 0.00 H new ATOM 0 HG SER A 7 -4.475 -11.487 2.084 1.00 0.00 H new ATOM 106 N PRO A 8 -0.959 -9.822 1.593 1.00 0.00 N ATOM 107 CA PRO A 8 0.324 -10.366 2.047 1.00 0.00 C ATOM 108 C PRO A 8 0.248 -11.860 2.344 1.00 0.00 C ATOM 109 O PRO A 8 1.266 -12.506 2.593 1.00 0.00 O ATOM 110 CB PRO A 8 0.609 -9.580 3.330 1.00 0.00 C ATOM 111 CG PRO A 8 -0.733 -9.159 3.821 1.00 0.00 C ATOM 112 CD PRO A 8 -1.571 -8.931 2.593 1.00 0.00 C ATOM 0 HA PRO A 8 1.100 -10.266 1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.124 -10.197 4.066 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.247 -8.718 3.133 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.174 -9.926 4.457 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.662 -8.251 4.419 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.617 -9.182 2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.542 -7.889 2.274 1.00 0.00 H new ATOM 120 N SER A 9 -0.965 -12.403 2.314 1.00 0.00 N ATOM 121 CA SER A 9 -1.174 -13.821 2.583 1.00 0.00 C ATOM 122 C SER A 9 -1.583 -14.560 1.313 1.00 0.00 C ATOM 123 O SER A 9 -2.094 -15.679 1.370 1.00 0.00 O ATOM 124 CB SER A 9 -2.245 -14.005 3.661 1.00 0.00 C ATOM 125 OG SER A 9 -1.898 -13.312 4.847 1.00 0.00 O ATOM 0 H SER A 9 -1.817 -11.883 2.106 1.00 0.00 H new ATOM 0 HA SER A 9 -0.233 -14.240 2.940 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.204 -13.642 3.291 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.368 -15.066 3.879 1.00 0.00 H new ATOM 0 HG SER A 9 -2.598 -13.444 5.520 1.00 0.00 H new ATOM 131 N ASP A 10 -1.354 -13.927 0.168 1.00 0.00 N ATOM 132 CA ASP A 10 -1.697 -14.523 -1.118 1.00 0.00 C ATOM 133 C ASP A 10 -0.506 -14.484 -2.070 1.00 0.00 C ATOM 134 O ASP A 10 -0.306 -15.401 -2.867 1.00 0.00 O ATOM 135 CB ASP A 10 -2.889 -13.794 -1.741 1.00 0.00 C ATOM 136 CG ASP A 10 -4.130 -13.869 -0.875 1.00 0.00 C ATOM 137 OD1 ASP A 10 -4.135 -14.663 0.089 1.00 0.00 O ATOM 138 OD2 ASP A 10 -5.097 -13.132 -1.160 1.00 0.00 O ATOM 0 H ASP A 10 -0.932 -13.001 0.104 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.968 -15.565 -0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.627 -12.749 -1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.105 -14.226 -2.718 1.00 0.00 H new ATOM 143 N ILE A 11 0.280 -13.416 -1.982 1.00 0.00 N ATOM 144 CA ILE A 11 1.451 -13.258 -2.836 1.00 0.00 C ATOM 145 C ILE A 11 2.541 -14.257 -2.465 1.00 0.00 C ATOM 146 O ILE A 11 3.432 -14.545 -3.264 1.00 0.00 O ATOM 147 CB ILE A 11 2.024 -11.831 -2.746 1.00 0.00 C ATOM 148 CG1 ILE A 11 0.967 -10.806 -3.161 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.265 -11.703 -3.617 1.00 0.00 C ATOM 150 CD1 ILE A 11 1.089 -9.485 -2.434 1.00 0.00 C ATOM 0 H ILE A 11 0.127 -12.648 -1.328 1.00 0.00 H new ATOM 0 HA ILE A 11 1.124 -13.445 -3.859 1.00 0.00 H new ATOM 0 HB ILE A 11 2.307 -11.634 -1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.045 -10.630 -4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.023 -11.223 -2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.658 -10.689 -3.543 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.021 -12.411 -3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.005 -11.917 -4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.308 -8.807 -2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.981 -9.648 -1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.066 -9.046 -2.638 1.00 0.00 H new ATOM 162 N ALA A 12 2.464 -14.783 -1.247 1.00 0.00 N ATOM 163 CA ALA A 12 3.442 -15.754 -0.770 1.00 0.00 C ATOM 164 C ALA A 12 3.144 -17.146 -1.315 1.00 0.00 C ATOM 165 O ALA A 12 4.048 -17.966 -1.479 1.00 0.00 O ATOM 166 CB ALA A 12 3.467 -15.774 0.751 1.00 0.00 C ATOM 0 H ALA A 12 1.734 -14.553 -0.572 1.00 0.00 H new ATOM 0 HA ALA A 12 4.424 -15.453 -1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.201 -16.503 1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.736 -14.786 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.481 -16.048 1.128 1.00 0.00 H new ATOM 172 N ALA A 13 1.871 -17.408 -1.595 1.00 0.00 N ATOM 173 CA ALA A 13 1.455 -18.701 -2.122 1.00 0.00 C ATOM 174 C ALA A 13 2.115 -18.983 -3.467 1.00 0.00 C ATOM 175 O ALA A 13 2.190 -20.131 -3.904 1.00 0.00 O ATOM 176 CB ALA A 13 -0.060 -18.754 -2.254 1.00 0.00 C ATOM 0 H ALA A 13 1.110 -16.741 -1.465 1.00 0.00 H new ATOM 0 HA ALA A 13 1.775 -19.472 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.357 -19.726 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.516 -18.605 -1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.394 -17.969 -2.933 1.00 0.00 H new ATOM 182 N ALA A 14 2.593 -17.929 -4.120 1.00 0.00 N ATOM 183 CA ALA A 14 3.249 -18.064 -5.415 1.00 0.00 C ATOM 184 C ALA A 14 4.765 -17.991 -5.273 1.00 0.00 C ATOM 185 O ALA A 14 5.501 -18.643 -6.015 1.00 0.00 O ATOM 186 CB ALA A 14 2.754 -16.989 -6.372 1.00 0.00 C ATOM 0 H ALA A 14 2.538 -16.971 -3.773 1.00 0.00 H new ATOM 0 HA ALA A 14 2.996 -19.043 -5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.252 -17.102 -7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.677 -17.090 -6.507 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.978 -16.005 -5.961 1.00 0.00 H new ATOM 192 N LEU A 15 5.227 -17.194 -4.316 1.00 0.00 N ATOM 193 CA LEU A 15 6.658 -17.035 -4.077 1.00 0.00 C ATOM 194 C LEU A 15 7.257 -18.311 -3.494 1.00 0.00 C ATOM 195 O LEU A 15 8.472 -18.509 -3.527 1.00 0.00 O ATOM 196 CB LEU A 15 6.909 -15.861 -3.130 1.00 0.00 C ATOM 197 CG LEU A 15 6.635 -14.468 -3.699 1.00 0.00 C ATOM 198 CD1 LEU A 15 6.822 -13.407 -2.626 1.00 0.00 C ATOM 199 CD2 LEU A 15 7.542 -14.191 -4.890 1.00 0.00 C ATOM 0 H LEU A 15 4.632 -16.648 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 15 7.141 -16.832 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.290 -15.997 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.948 -15.900 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 15 5.600 -14.432 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.623 -12.422 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.131 -13.595 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.846 -13.442 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.334 -13.196 -5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.584 -14.246 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.359 -14.933 -5.667 1.00 0.00 H new ATOM 211 N ARG A 16 6.397 -19.174 -2.963 1.00 0.00 N ATOM 212 CA ARG A 16 6.842 -20.431 -2.374 1.00 0.00 C ATOM 213 C ARG A 16 6.507 -21.607 -3.286 1.00 0.00 C ATOM 214 O ARG A 16 7.368 -22.432 -3.595 1.00 0.00 O ATOM 215 CB ARG A 16 6.193 -20.634 -1.003 1.00 0.00 C ATOM 216 CG ARG A 16 6.631 -21.911 -0.305 1.00 0.00 C ATOM 217 CD ARG A 16 5.457 -22.614 0.359 1.00 0.00 C ATOM 218 NE ARG A 16 5.560 -24.067 0.255 1.00 0.00 N ATOM 219 CZ ARG A 16 4.534 -24.891 0.438 1.00 0.00 C ATOM 220 NH1 ARG A 16 3.335 -24.407 0.732 1.00 0.00 N ATOM 221 NH2 ARG A 16 4.706 -26.202 0.327 1.00 0.00 N ATOM 0 H ARG A 16 5.388 -19.026 -2.929 1.00 0.00 H new ATOM 0 HA ARG A 16 7.924 -20.384 -2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.433 -19.782 -0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.110 -20.648 -1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.096 -22.581 -1.028 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.387 -21.676 0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.410 -22.328 1.410 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.527 -22.282 -0.103 1.00 0.00 H new ATOM 0 HE ARG A 16 6.469 -24.471 0.030 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.199 -23.400 0.818 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.549 -25.042 0.872 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.627 -26.578 0.101 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.917 -26.834 0.468 1.00 0.00 H new ATOM 235 N ASP A 17 5.251 -21.679 -3.713 1.00 0.00 N ATOM 236 CA ASP A 17 4.802 -22.754 -4.591 1.00 0.00 C ATOM 237 C ASP A 17 5.584 -22.749 -5.900 1.00 0.00 C ATOM 238 O ASP A 17 5.623 -23.752 -6.615 1.00 0.00 O ATOM 239 CB ASP A 17 3.305 -22.616 -4.876 1.00 0.00 C ATOM 240 CG ASP A 17 2.719 -23.864 -5.506 1.00 0.00 C ATOM 241 OD1 ASP A 17 3.156 -24.975 -5.139 1.00 0.00 O ATOM 242 OD2 ASP A 17 1.824 -23.730 -6.367 1.00 0.00 O ATOM 0 H ASP A 17 4.526 -21.006 -3.466 1.00 0.00 H new ATOM 0 HA ASP A 17 4.982 -23.703 -4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.779 -22.401 -3.946 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.141 -21.766 -5.539 1.00 0.00 H new ATOM 247 N CYS A 18 6.205 -21.616 -6.208 1.00 0.00 N ATOM 248 CA CYS A 18 6.986 -21.481 -7.433 1.00 0.00 C ATOM 249 C CYS A 18 8.452 -21.205 -7.116 1.00 0.00 C ATOM 250 O CYS A 18 9.198 -20.715 -7.962 1.00 0.00 O ATOM 251 CB CYS A 18 6.419 -20.357 -8.302 1.00 0.00 C ATOM 252 SG CYS A 18 4.626 -20.426 -8.521 1.00 0.00 S ATOM 0 H CYS A 18 6.183 -20.778 -5.627 1.00 0.00 H new ATOM 0 HA CYS A 18 6.923 -22.421 -7.981 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.683 -19.398 -7.855 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.896 -20.394 -9.282 1.00 0.00 H new ATOM 0 HG CYS A 18 4.242 -19.434 -9.268 1.00 0.00 H new ATOM 258 N GLN A 19 8.857 -21.523 -5.890 1.00 0.00 N ATOM 259 CA GLN A 19 10.233 -21.306 -5.461 1.00 0.00 C ATOM 260 C GLN A 19 11.210 -22.044 -6.371 1.00 0.00 C ATOM 261 O GLN A 19 12.375 -21.665 -6.483 1.00 0.00 O ATOM 262 CB GLN A 19 10.417 -21.769 -4.014 1.00 0.00 C ATOM 263 CG GLN A 19 11.550 -21.061 -3.288 1.00 0.00 C ATOM 264 CD GLN A 19 11.078 -19.841 -2.521 1.00 0.00 C ATOM 265 OE1 GLN A 19 11.333 -18.705 -2.922 1.00 0.00 O ATOM 266 NE2 GLN A 19 10.386 -20.071 -1.411 1.00 0.00 N ATOM 0 H GLN A 19 8.252 -21.931 -5.177 1.00 0.00 H new ATOM 0 HA GLN A 19 10.442 -20.238 -5.523 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.488 -21.605 -3.468 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.606 -22.842 -4.006 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.026 -21.758 -2.598 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.308 -20.760 -4.011 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.198 -21.029 -1.117 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.042 -19.289 -0.853 1.00 0.00 H new ATOM 275 N ALA A 20 10.726 -23.098 -7.019 1.00 0.00 N ATOM 276 CA ALA A 20 11.555 -23.887 -7.921 1.00 0.00 C ATOM 277 C ALA A 20 11.980 -23.067 -9.135 1.00 0.00 C ATOM 278 O ALA A 20 11.377 -22.046 -9.467 1.00 0.00 O ATOM 279 CB ALA A 20 10.812 -25.140 -8.362 1.00 0.00 C ATOM 0 H ALA A 20 9.764 -23.425 -6.936 1.00 0.00 H new ATOM 0 HA ALA A 20 12.455 -24.183 -7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.444 -25.719 -9.035 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.564 -25.743 -7.488 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.895 -24.856 -8.879 1.00 0.00 H new ATOM 285 N PRO A 21 13.043 -23.522 -9.815 1.00 0.00 N ATOM 286 CA PRO A 21 13.572 -22.845 -11.003 1.00 0.00 C ATOM 287 C PRO A 21 12.635 -22.959 -12.200 1.00 0.00 C ATOM 288 O PRO A 21 11.932 -23.957 -12.358 1.00 0.00 O ATOM 289 CB PRO A 21 14.883 -23.585 -11.278 1.00 0.00 C ATOM 290 CG PRO A 21 14.690 -24.935 -10.680 1.00 0.00 C ATOM 291 CD PRO A 21 13.810 -24.733 -9.477 1.00 0.00 C ATOM 0 HA PRO A 21 13.697 -21.774 -10.841 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.083 -23.651 -12.347 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.731 -23.070 -10.826 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.225 -25.615 -11.394 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.645 -25.376 -10.395 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.156 -25.589 -9.309 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.396 -24.597 -8.568 1.00 0.00 H new ATOM 299 N ASP A 22 12.629 -21.930 -13.041 1.00 0.00 N ATOM 300 CA ASP A 22 11.779 -21.915 -14.225 1.00 0.00 C ATOM 301 C ASP A 22 10.381 -22.429 -13.897 1.00 0.00 C ATOM 302 O ASP A 22 9.737 -23.076 -14.723 1.00 0.00 O ATOM 303 CB ASP A 22 12.400 -22.764 -15.336 1.00 0.00 C ATOM 304 CG ASP A 22 12.382 -24.245 -15.011 1.00 0.00 C ATOM 305 OD1 ASP A 22 13.346 -24.726 -14.379 1.00 0.00 O ATOM 306 OD2 ASP A 22 11.404 -24.923 -15.389 1.00 0.00 O ATOM 0 H ASP A 22 13.204 -21.095 -12.924 1.00 0.00 H new ATOM 0 HA ASP A 22 11.696 -20.884 -14.569 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.858 -22.592 -16.266 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.429 -22.444 -15.502 1.00 0.00 H new ATOM 311 N SER A 23 9.918 -22.138 -12.686 1.00 0.00 N ATOM 312 CA SER A 23 8.598 -22.574 -12.246 1.00 0.00 C ATOM 313 C SER A 23 7.688 -21.377 -11.988 1.00 0.00 C ATOM 314 O SER A 23 6.463 -21.503 -11.984 1.00 0.00 O ATOM 315 CB SER A 23 8.714 -23.424 -10.979 1.00 0.00 C ATOM 316 OG SER A 23 9.144 -24.739 -11.285 1.00 0.00 O ATOM 0 H SER A 23 10.438 -21.602 -11.991 1.00 0.00 H new ATOM 0 HA SER A 23 8.159 -23.177 -13.040 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.418 -22.959 -10.289 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.749 -23.462 -10.473 1.00 0.00 H new ATOM 0 HG SER A 23 10.056 -24.710 -11.643 1.00 0.00 H new ATOM 322 N PHE A 24 8.296 -20.216 -11.772 1.00 0.00 N ATOM 323 CA PHE A 24 7.542 -18.995 -11.512 1.00 0.00 C ATOM 324 C PHE A 24 7.347 -18.192 -12.795 1.00 0.00 C ATOM 325 O PHE A 24 8.226 -18.154 -13.656 1.00 0.00 O ATOM 326 CB PHE A 24 8.260 -18.140 -10.466 1.00 0.00 C ATOM 327 CG PHE A 24 7.593 -16.819 -10.211 1.00 0.00 C ATOM 328 CD1 PHE A 24 6.330 -16.763 -9.643 1.00 0.00 C ATOM 329 CD2 PHE A 24 8.228 -15.632 -10.540 1.00 0.00 C ATOM 330 CE1 PHE A 24 5.714 -15.549 -9.406 1.00 0.00 C ATOM 331 CE2 PHE A 24 7.617 -14.415 -10.305 1.00 0.00 C ATOM 332 CZ PHE A 24 6.357 -14.373 -9.739 1.00 0.00 C ATOM 0 H PHE A 24 9.309 -20.094 -11.772 1.00 0.00 H new ATOM 0 HA PHE A 24 6.562 -19.278 -11.129 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.316 -18.696 -9.530 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.284 -17.963 -10.794 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.821 -17.679 -9.382 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.212 -15.658 -10.985 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.731 -15.520 -8.961 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.124 -13.497 -10.564 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.876 -13.423 -9.558 1.00 0.00 H new ATOM 342 N SER A 25 6.188 -17.551 -12.915 1.00 0.00 N ATOM 343 CA SER A 25 5.875 -16.752 -14.093 1.00 0.00 C ATOM 344 C SER A 25 4.764 -15.751 -13.792 1.00 0.00 C ATOM 345 O SER A 25 4.010 -15.893 -12.829 1.00 0.00 O ATOM 346 CB SER A 25 5.459 -17.658 -15.254 1.00 0.00 C ATOM 347 OG SER A 25 5.863 -18.997 -15.026 1.00 0.00 O ATOM 0 H SER A 25 5.451 -17.570 -12.210 1.00 0.00 H new ATOM 0 HA SER A 25 6.771 -16.200 -14.375 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.377 -17.618 -15.381 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.903 -17.294 -16.181 1.00 0.00 H new ATOM 0 HG SER A 25 5.584 -19.556 -15.781 1.00 0.00 H new ATOM 353 N PRO A 26 4.660 -14.712 -14.634 1.00 0.00 N ATOM 354 CA PRO A 26 3.645 -13.666 -14.479 1.00 0.00 C ATOM 355 C PRO A 26 2.239 -14.175 -14.777 1.00 0.00 C ATOM 356 O PRO A 26 1.272 -13.772 -14.131 1.00 0.00 O ATOM 357 CB PRO A 26 4.062 -12.612 -15.508 1.00 0.00 C ATOM 358 CG PRO A 26 4.826 -13.370 -16.538 1.00 0.00 C ATOM 359 CD PRO A 26 5.526 -14.479 -15.802 1.00 0.00 C ATOM 0 HA PRO A 26 3.600 -13.289 -13.457 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.193 -12.118 -15.943 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.675 -11.835 -15.052 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.160 -13.769 -17.303 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.543 -12.725 -17.045 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.620 -15.374 -16.418 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.534 -14.190 -15.504 1.00 0.00 H new ATOM 367 N LYS A 27 2.132 -15.062 -15.760 1.00 0.00 N ATOM 368 CA LYS A 27 0.844 -15.628 -16.144 1.00 0.00 C ATOM 369 C LYS A 27 0.576 -16.929 -15.394 1.00 0.00 C ATOM 370 O LYS A 27 -0.097 -17.825 -15.904 1.00 0.00 O ATOM 371 CB LYS A 27 0.803 -15.879 -17.653 1.00 0.00 C ATOM 372 CG LYS A 27 1.892 -16.818 -18.143 1.00 0.00 C ATOM 373 CD LYS A 27 1.306 -18.055 -18.803 1.00 0.00 C ATOM 374 CE LYS A 27 0.588 -17.708 -20.099 1.00 0.00 C ATOM 375 NZ LYS A 27 0.291 -18.921 -20.910 1.00 0.00 N ATOM 0 H LYS A 27 2.922 -15.405 -16.306 1.00 0.00 H new ATOM 0 HA LYS A 27 0.067 -14.910 -15.880 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.169 -16.294 -17.918 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.895 -14.926 -18.174 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.533 -16.295 -18.853 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.522 -17.116 -17.304 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.102 -18.771 -19.007 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.610 -18.539 -18.118 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.342 -17.187 -19.871 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.203 -17.022 -20.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.198 -18.643 -21.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.180 -19.405 -21.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.317 -19.564 -20.363 1.00 0.00 H new ATOM 389 N LYS A 28 1.106 -17.027 -14.179 1.00 0.00 N ATOM 390 CA LYS A 28 0.922 -18.217 -13.357 1.00 0.00 C ATOM 391 C LYS A 28 0.543 -17.838 -11.929 1.00 0.00 C ATOM 392 O LYS A 28 -0.308 -18.479 -11.311 1.00 0.00 O ATOM 393 CB LYS A 28 2.200 -19.059 -13.350 1.00 0.00 C ATOM 394 CG LYS A 28 2.409 -19.857 -14.626 1.00 0.00 C ATOM 395 CD LYS A 28 1.654 -21.175 -14.589 1.00 0.00 C ATOM 396 CE LYS A 28 0.272 -21.043 -15.211 1.00 0.00 C ATOM 397 NZ LYS A 28 -0.211 -22.337 -15.769 1.00 0.00 N ATOM 0 H LYS A 28 1.667 -16.296 -13.742 1.00 0.00 H new ATOM 0 HA LYS A 28 0.110 -18.803 -13.787 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.057 -18.403 -13.197 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.169 -19.745 -12.503 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.076 -19.270 -15.482 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.473 -20.050 -14.766 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.223 -21.937 -15.122 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.559 -21.512 -13.557 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.432 -20.686 -14.459 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.300 -20.294 -16.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.156 -22.205 -16.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.447 -22.665 -16.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.262 -23.045 -15.009 1.00 0.00 H new ATOM 411 N PHE A 29 1.179 -16.793 -11.410 1.00 0.00 N ATOM 412 CA PHE A 29 0.908 -16.329 -10.054 1.00 0.00 C ATOM 413 C PHE A 29 -0.368 -15.493 -10.011 1.00 0.00 C ATOM 414 O PHE A 29 -0.967 -15.308 -8.951 1.00 0.00 O ATOM 415 CB PHE A 29 2.087 -15.507 -9.528 1.00 0.00 C ATOM 416 CG PHE A 29 2.028 -14.058 -9.916 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.219 -13.671 -11.233 1.00 0.00 C ATOM 418 CD2 PHE A 29 1.781 -13.082 -8.964 1.00 0.00 C ATOM 419 CE1 PHE A 29 2.166 -12.337 -11.592 1.00 0.00 C ATOM 420 CE2 PHE A 29 1.726 -11.746 -9.317 1.00 0.00 C ATOM 421 CZ PHE A 29 1.918 -11.374 -10.633 1.00 0.00 C ATOM 0 H PHE A 29 1.886 -16.251 -11.908 1.00 0.00 H new ATOM 0 HA PHE A 29 0.771 -17.203 -9.418 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.116 -15.583 -8.441 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.016 -15.938 -9.903 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.411 -14.420 -11.987 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.630 -13.368 -7.934 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.318 -12.048 -12.621 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.533 -10.995 -8.565 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.874 -10.332 -10.912 1.00 0.00 H new ATOM 431 N PHE A 30 -0.779 -14.990 -11.170 1.00 0.00 N ATOM 432 CA PHE A 30 -1.983 -14.173 -11.265 1.00 0.00 C ATOM 433 C PHE A 30 -3.180 -14.895 -10.655 1.00 0.00 C ATOM 434 O PHE A 30 -4.138 -14.264 -10.211 1.00 0.00 O ATOM 435 CB PHE A 30 -2.274 -13.824 -12.727 1.00 0.00 C ATOM 436 CG PHE A 30 -2.883 -14.956 -13.503 1.00 0.00 C ATOM 437 CD1 PHE A 30 -2.128 -16.069 -13.838 1.00 0.00 C ATOM 438 CD2 PHE A 30 -4.210 -14.908 -13.899 1.00 0.00 C ATOM 439 CE1 PHE A 30 -2.686 -17.113 -14.553 1.00 0.00 C ATOM 440 CE2 PHE A 30 -4.773 -15.948 -14.613 1.00 0.00 C ATOM 441 CZ PHE A 30 -4.010 -17.052 -14.941 1.00 0.00 C ATOM 0 H PHE A 30 -0.296 -15.134 -12.057 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.813 -13.253 -10.706 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.947 -12.967 -12.761 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.346 -13.520 -13.211 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.092 -16.122 -13.537 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.811 -14.047 -13.646 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.087 -17.975 -14.808 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.809 -15.898 -14.915 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.448 -17.866 -15.500 1.00 0.00 H new ATOM 451 N GLN A 31 -3.117 -16.223 -10.638 1.00 0.00 N ATOM 452 CA GLN A 31 -4.197 -17.032 -10.084 1.00 0.00 C ATOM 453 C GLN A 31 -3.902 -17.416 -8.638 1.00 0.00 C ATOM 454 O GLN A 31 -4.817 -17.623 -7.841 1.00 0.00 O ATOM 455 CB GLN A 31 -4.404 -18.291 -10.927 1.00 0.00 C ATOM 456 CG GLN A 31 -3.384 -19.383 -10.650 1.00 0.00 C ATOM 457 CD GLN A 31 -3.186 -20.311 -11.832 1.00 0.00 C ATOM 458 OE1 GLN A 31 -4.144 -20.878 -12.358 1.00 0.00 O ATOM 459 NE2 GLN A 31 -1.938 -20.471 -12.257 1.00 0.00 N ATOM 0 H GLN A 31 -2.330 -16.761 -11.001 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.110 -16.437 -10.104 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.404 -18.683 -10.740 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.359 -18.023 -11.983 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.430 -18.926 -10.388 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.706 -19.965 -9.786 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.174 -19.981 -11.791 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.744 -21.083 -13.049 1.00 0.00 H new ATOM 468 N ILE A 32 -2.618 -17.511 -8.307 1.00 0.00 N ATOM 469 CA ILE A 32 -2.203 -17.870 -6.956 1.00 0.00 C ATOM 470 C ILE A 32 -2.469 -16.731 -5.978 1.00 0.00 C ATOM 471 O ILE A 32 -3.024 -16.942 -4.899 1.00 0.00 O ATOM 472 CB ILE A 32 -0.708 -18.237 -6.906 1.00 0.00 C ATOM 473 CG1 ILE A 32 -0.437 -19.481 -7.754 1.00 0.00 C ATOM 474 CG2 ILE A 32 -0.267 -18.463 -5.467 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.970 -19.539 -8.307 1.00 0.00 C ATOM 0 H ILE A 32 -1.848 -17.345 -8.955 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.792 -18.740 -6.665 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.131 -17.408 -7.317 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.618 -20.370 -7.150 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.146 -19.508 -8.582 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.792 -18.722 -5.447 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.429 -17.553 -4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.847 -19.277 -5.032 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.092 -20.447 -8.898 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.149 -18.669 -8.938 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.685 -19.543 -7.484 1.00 0.00 H new ATOM 487 N SER A 33 -2.072 -15.523 -6.363 1.00 0.00 N ATOM 488 CA SER A 33 -2.265 -14.349 -5.519 1.00 0.00 C ATOM 489 C SER A 33 -3.716 -13.878 -5.568 1.00 0.00 C ATOM 490 O SER A 33 -4.312 -13.562 -4.540 1.00 0.00 O ATOM 491 CB SER A 33 -1.335 -13.218 -5.960 1.00 0.00 C ATOM 492 OG SER A 33 -0.135 -13.731 -6.514 1.00 0.00 O ATOM 0 H SER A 33 -1.615 -15.331 -7.254 1.00 0.00 H new ATOM 0 HA SER A 33 -2.025 -14.627 -4.493 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.841 -12.593 -6.696 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.102 -12.581 -5.107 1.00 0.00 H new ATOM 0 HG SER A 33 0.094 -13.226 -7.322 1.00 0.00 H new ATOM 498 N GLY A 34 -4.277 -13.835 -6.772 1.00 0.00 N ATOM 499 CA GLY A 34 -5.652 -13.402 -6.934 1.00 0.00 C ATOM 500 C GLY A 34 -5.780 -12.214 -7.867 1.00 0.00 C ATOM 501 O GLY A 34 -6.730 -11.438 -7.768 1.00 0.00 O ATOM 0 H GLY A 34 -3.804 -14.092 -7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.247 -14.229 -7.321 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.065 -13.141 -5.960 1.00 0.00 H new ATOM 505 N MET A 35 -4.819 -12.070 -8.774 1.00 0.00 N ATOM 506 CA MET A 35 -4.829 -10.967 -9.728 1.00 0.00 C ATOM 507 C MET A 35 -5.822 -11.231 -10.855 1.00 0.00 C ATOM 508 O MET A 35 -6.231 -10.311 -11.563 1.00 0.00 O ATOM 509 CB MET A 35 -3.429 -10.752 -10.306 1.00 0.00 C ATOM 510 CG MET A 35 -2.450 -10.142 -9.316 1.00 0.00 C ATOM 511 SD MET A 35 -1.242 -9.063 -10.110 1.00 0.00 S ATOM 512 CE MET A 35 -0.836 -10.023 -11.566 1.00 0.00 C ATOM 0 H MET A 35 -4.024 -12.703 -8.868 1.00 0.00 H new ATOM 0 HA MET A 35 -5.139 -10.065 -9.199 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.036 -11.709 -10.650 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.501 -10.104 -11.179 1.00 0.00 H new ATOM 0 HG2 MET A 35 -3.002 -9.574 -8.568 1.00 0.00 H new ATOM 0 HG3 MET A 35 -1.928 -10.940 -8.789 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.138 -9.714 -11.946 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.805 -11.081 -11.307 1.00 0.00 H new ATOM 0 HE3 MET A 35 -1.593 -9.859 -12.333 1.00 0.00 H new ATOM 522 N SER A 36 -6.205 -12.494 -11.017 1.00 0.00 N ATOM 523 CA SER A 36 -7.147 -12.880 -12.061 1.00 0.00 C ATOM 524 C SER A 36 -8.418 -12.039 -11.984 1.00 0.00 C ATOM 525 O SER A 36 -9.042 -11.741 -13.002 1.00 0.00 O ATOM 526 CB SER A 36 -7.496 -14.364 -11.939 1.00 0.00 C ATOM 527 OG SER A 36 -8.478 -14.577 -10.940 1.00 0.00 O ATOM 0 H SER A 36 -5.877 -13.267 -10.438 1.00 0.00 H new ATOM 0 HA SER A 36 -6.673 -12.704 -13.027 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.861 -14.735 -12.897 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.598 -14.933 -11.698 1.00 0.00 H new ATOM 0 HG SER A 36 -8.685 -15.533 -10.883 1.00 0.00 H new ATOM 533 N LYS A 37 -8.795 -11.659 -10.768 1.00 0.00 N ATOM 534 CA LYS A 37 -9.990 -10.852 -10.554 1.00 0.00 C ATOM 535 C LYS A 37 -9.817 -9.457 -11.147 1.00 0.00 C ATOM 536 O LYS A 37 -10.779 -8.845 -11.613 1.00 0.00 O ATOM 537 CB LYS A 37 -10.301 -10.748 -9.059 1.00 0.00 C ATOM 538 CG LYS A 37 -10.843 -12.034 -8.460 1.00 0.00 C ATOM 539 CD LYS A 37 -11.297 -11.831 -7.024 1.00 0.00 C ATOM 540 CE LYS A 37 -10.125 -11.876 -6.057 1.00 0.00 C ATOM 541 NZ LYS A 37 -10.469 -11.274 -4.739 1.00 0.00 N ATOM 0 H LYS A 37 -8.289 -11.897 -9.915 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.823 -11.342 -11.058 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.394 -10.463 -8.527 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.026 -9.950 -8.902 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.680 -12.392 -9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.073 -12.805 -8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.807 -10.872 -6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.020 -12.602 -6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.813 -12.910 -5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.277 -11.344 -6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.644 -11.324 -4.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.743 -10.280 -4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.261 -11.797 -4.315 1.00 0.00 H new ATOM 555 N LYS A 38 -8.586 -8.959 -11.126 1.00 0.00 N ATOM 556 CA LYS A 38 -8.285 -7.637 -11.663 1.00 0.00 C ATOM 557 C LYS A 38 -8.751 -7.519 -13.111 1.00 0.00 C ATOM 558 O LYS A 38 -9.253 -8.482 -13.692 1.00 0.00 O ATOM 559 CB LYS A 38 -6.783 -7.358 -11.575 1.00 0.00 C ATOM 560 CG LYS A 38 -6.193 -7.631 -10.203 1.00 0.00 C ATOM 561 CD LYS A 38 -6.943 -6.883 -9.114 1.00 0.00 C ATOM 562 CE LYS A 38 -7.852 -7.812 -8.324 1.00 0.00 C ATOM 563 NZ LYS A 38 -7.603 -7.718 -6.859 1.00 0.00 N ATOM 0 H LYS A 38 -7.779 -9.451 -10.742 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.821 -6.899 -11.066 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.264 -7.970 -12.313 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.599 -6.317 -11.840 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.225 -8.701 -9.999 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.144 -7.336 -10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.230 -6.410 -8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.536 -6.086 -9.561 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.893 -7.565 -8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.696 -8.839 -8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.242 -8.366 -6.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.617 -7.978 -6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.776 -6.744 -6.539 1.00 0.00 H new ATOM 577 N SER A 39 -8.580 -6.334 -13.688 1.00 0.00 N ATOM 578 CA SER A 39 -8.985 -6.091 -15.068 1.00 0.00 C ATOM 579 C SER A 39 -8.428 -4.763 -15.571 1.00 0.00 C ATOM 580 O SER A 39 -9.180 -3.836 -15.873 1.00 0.00 O ATOM 581 CB SER A 39 -10.511 -6.092 -15.181 1.00 0.00 C ATOM 582 OG SER A 39 -10.925 -6.472 -16.482 1.00 0.00 O ATOM 0 H SER A 39 -8.164 -5.528 -13.222 1.00 0.00 H new ATOM 0 HA SER A 39 -8.581 -6.893 -15.686 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.933 -6.778 -14.447 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.897 -5.099 -14.948 1.00 0.00 H new ATOM 0 HG SER A 39 -10.246 -7.053 -16.884 1.00 0.00 H new ATOM 588 N SER A 40 -7.105 -4.678 -15.658 1.00 0.00 N ATOM 589 CA SER A 40 -6.445 -3.463 -16.121 1.00 0.00 C ATOM 590 C SER A 40 -6.942 -2.246 -15.347 1.00 0.00 C ATOM 591 O SER A 40 -6.911 -1.122 -15.848 1.00 0.00 O ATOM 592 CB SER A 40 -6.689 -3.264 -17.618 1.00 0.00 C ATOM 593 OG SER A 40 -5.665 -2.477 -18.201 1.00 0.00 O ATOM 0 H SER A 40 -6.468 -5.437 -15.414 1.00 0.00 H new ATOM 0 HA SER A 40 -5.375 -3.571 -15.946 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.734 -4.233 -18.114 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.655 -2.782 -17.771 1.00 0.00 H new ATOM 0 HG SER A 40 -5.565 -1.643 -17.696 1.00 0.00 H new ATOM 599 N SER A 41 -7.401 -2.480 -14.121 1.00 0.00 N ATOM 600 CA SER A 41 -7.909 -1.404 -13.278 1.00 0.00 C ATOM 601 C SER A 41 -7.173 -1.368 -11.942 1.00 0.00 C ATOM 602 O SER A 41 -7.326 -0.428 -11.163 1.00 0.00 O ATOM 603 CB SER A 41 -9.410 -1.580 -13.041 1.00 0.00 C ATOM 604 OG SER A 41 -10.025 -0.342 -12.726 1.00 0.00 O ATOM 0 H SER A 41 -7.431 -3.404 -13.690 1.00 0.00 H new ATOM 0 HA SER A 41 -7.738 -0.459 -13.794 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.875 -2.004 -13.931 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.573 -2.288 -12.228 1.00 0.00 H new ATOM 0 HG SER A 41 -10.984 -0.481 -12.581 1.00 0.00 H new ATOM 610 N GLN A 42 -6.373 -2.398 -11.686 1.00 0.00 N ATOM 611 CA GLN A 42 -5.613 -2.484 -10.445 1.00 0.00 C ATOM 612 C GLN A 42 -4.202 -3.002 -10.705 1.00 0.00 C ATOM 613 O GLN A 42 -3.391 -3.114 -9.785 1.00 0.00 O ATOM 614 CB GLN A 42 -6.328 -3.398 -9.447 1.00 0.00 C ATOM 615 CG GLN A 42 -7.786 -3.030 -9.222 1.00 0.00 C ATOM 616 CD GLN A 42 -8.741 -3.980 -9.917 1.00 0.00 C ATOM 617 OE1 GLN A 42 -9.797 -4.318 -9.382 1.00 0.00 O ATOM 618 NE2 GLN A 42 -8.374 -4.417 -11.116 1.00 0.00 N ATOM 0 H GLN A 42 -6.235 -3.184 -12.321 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.540 -1.482 -10.023 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.272 -4.426 -9.804 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.802 -3.363 -8.493 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.995 -3.028 -8.152 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.961 -2.016 -9.583 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.490 -4.111 -11.522 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.976 -5.059 -11.631 1.00 0.00 H new ATOM 627 N LEU A 43 -3.916 -3.315 -11.963 1.00 0.00 N ATOM 628 CA LEU A 43 -2.602 -3.821 -12.345 1.00 0.00 C ATOM 629 C LEU A 43 -1.522 -2.771 -12.104 1.00 0.00 C ATOM 630 O LEU A 43 -0.515 -3.039 -11.449 1.00 0.00 O ATOM 631 CB LEU A 43 -2.602 -4.240 -13.817 1.00 0.00 C ATOM 632 CG LEU A 43 -3.812 -5.051 -14.283 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.596 -5.565 -15.698 1.00 0.00 C ATOM 634 CD2 LEU A 43 -4.079 -6.206 -13.330 1.00 0.00 C ATOM 0 H LEU A 43 -4.576 -3.228 -12.736 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.382 -4.691 -11.726 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.534 -3.341 -14.430 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.702 -4.825 -14.008 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.685 -4.398 -14.284 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.467 -6.140 -16.013 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.454 -4.722 -16.374 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.712 -6.202 -15.723 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.943 -6.772 -13.677 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.207 -6.859 -13.297 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.278 -5.816 -12.332 1.00 0.00 H new ATOM 646 N LYS A 44 -1.740 -1.573 -12.636 1.00 0.00 N ATOM 647 CA LYS A 44 -0.789 -0.480 -12.477 1.00 0.00 C ATOM 648 C LYS A 44 -1.018 0.253 -11.159 1.00 0.00 C ATOM 649 O LYS A 44 -0.254 1.146 -10.794 1.00 0.00 O ATOM 650 CB LYS A 44 -0.908 0.502 -13.645 1.00 0.00 C ATOM 651 CG LYS A 44 -1.958 1.578 -13.431 1.00 0.00 C ATOM 652 CD LYS A 44 -3.348 0.980 -13.288 1.00 0.00 C ATOM 653 CE LYS A 44 -3.799 0.305 -14.574 1.00 0.00 C ATOM 654 NZ LYS A 44 -5.091 0.858 -15.067 1.00 0.00 N ATOM 0 H LYS A 44 -2.568 -1.335 -13.182 1.00 0.00 H new ATOM 0 HA LYS A 44 0.215 -0.904 -12.468 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.059 0.977 -13.809 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.148 -0.053 -14.552 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.714 2.153 -12.537 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.944 2.273 -14.271 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.351 0.255 -12.475 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.056 1.764 -13.019 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.033 0.433 -15.339 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.904 -0.767 -14.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.704 0.079 -15.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.561 1.379 -14.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.911 1.502 -15.863 1.00 0.00 H new ATOM 668 N GLU A 45 -2.073 -0.133 -10.448 1.00 0.00 N ATOM 669 CA GLU A 45 -2.401 0.488 -9.170 1.00 0.00 C ATOM 670 C GLU A 45 -1.277 0.278 -8.159 1.00 0.00 C ATOM 671 O GLU A 45 -0.838 1.220 -7.499 1.00 0.00 O ATOM 672 CB GLU A 45 -3.709 -0.084 -8.620 1.00 0.00 C ATOM 673 CG GLU A 45 -4.923 0.781 -8.913 1.00 0.00 C ATOM 674 CD GLU A 45 -4.966 2.033 -8.059 1.00 0.00 C ATOM 675 OE1 GLU A 45 -3.996 2.273 -7.309 1.00 0.00 O ATOM 676 OE2 GLU A 45 -5.970 2.772 -8.138 1.00 0.00 O ATOM 0 H GLU A 45 -2.715 -0.872 -10.735 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.522 1.558 -9.336 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.869 -1.075 -9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.615 -0.210 -7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.918 1.064 -9.966 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.829 0.199 -8.744 1.00 0.00 H new ATOM 683 N ILE A 46 -0.816 -0.963 -8.044 1.00 0.00 N ATOM 684 CA ILE A 46 0.256 -1.296 -7.115 1.00 0.00 C ATOM 685 C ILE A 46 1.602 -0.792 -7.625 1.00 0.00 C ATOM 686 O ILE A 46 2.471 -0.409 -6.842 1.00 0.00 O ATOM 687 CB ILE A 46 0.345 -2.816 -6.881 1.00 0.00 C ATOM 688 CG1 ILE A 46 -1.037 -3.386 -6.556 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.328 -3.122 -5.760 1.00 0.00 C ATOM 690 CD1 ILE A 46 -1.636 -4.198 -7.682 1.00 0.00 C ATOM 0 H ILE A 46 -1.168 -1.754 -8.583 1.00 0.00 H new ATOM 0 HA ILE A 46 0.021 -0.804 -6.171 1.00 0.00 H new ATOM 0 HB ILE A 46 0.706 -3.289 -7.794 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.963 -4.012 -5.667 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.711 -2.565 -6.312 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.380 -4.200 -5.606 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.315 -2.746 -6.029 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.994 -2.640 -4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.615 -4.570 -7.381 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.743 -3.570 -8.567 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.982 -5.040 -7.911 1.00 0.00 H new ATOM 702 N PHE A 47 1.767 -0.793 -8.944 1.00 0.00 N ATOM 703 CA PHE A 47 3.007 -0.335 -9.560 1.00 0.00 C ATOM 704 C PHE A 47 4.196 -1.147 -9.057 1.00 0.00 C ATOM 705 O PHE A 47 5.312 -0.637 -8.956 1.00 0.00 O ATOM 706 CB PHE A 47 3.228 1.150 -9.265 1.00 0.00 C ATOM 707 CG PHE A 47 2.419 2.063 -10.142 1.00 0.00 C ATOM 708 CD1 PHE A 47 2.434 1.915 -11.519 1.00 0.00 C ATOM 709 CD2 PHE A 47 1.643 3.068 -9.588 1.00 0.00 C ATOM 710 CE1 PHE A 47 1.691 2.753 -12.328 1.00 0.00 C ATOM 711 CE2 PHE A 47 0.897 3.910 -10.392 1.00 0.00 C ATOM 712 CZ PHE A 47 0.921 3.751 -11.764 1.00 0.00 C ATOM 0 H PHE A 47 1.058 -1.106 -9.607 1.00 0.00 H new ATOM 0 HA PHE A 47 2.923 -0.476 -10.638 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.978 1.346 -8.222 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.285 1.383 -9.389 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.033 1.135 -11.966 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.620 3.195 -8.516 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.712 2.628 -13.400 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.297 4.690 -9.948 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.338 4.406 -12.395 1.00 0.00 H new ATOM 722 N ARG A 48 3.949 -2.415 -8.744 1.00 0.00 N ATOM 723 CA ARG A 48 4.998 -3.299 -8.251 1.00 0.00 C ATOM 724 C ARG A 48 4.856 -4.697 -8.845 1.00 0.00 C ATOM 725 O ARG A 48 5.463 -5.653 -8.361 1.00 0.00 O ATOM 726 CB ARG A 48 4.954 -3.375 -6.723 1.00 0.00 C ATOM 727 CG ARG A 48 4.954 -2.015 -6.046 1.00 0.00 C ATOM 728 CD ARG A 48 5.855 -2.003 -4.820 1.00 0.00 C ATOM 729 NE ARG A 48 7.114 -1.308 -5.072 1.00 0.00 N ATOM 730 CZ ARG A 48 7.881 -0.805 -4.111 1.00 0.00 C ATOM 731 NH1 ARG A 48 7.519 -0.920 -2.841 1.00 0.00 N ATOM 732 NH2 ARG A 48 9.013 -0.186 -4.421 1.00 0.00 N ATOM 0 H ARG A 48 3.031 -2.853 -8.823 1.00 0.00 H new ATOM 0 HA ARG A 48 5.959 -2.888 -8.560 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.061 -3.922 -6.420 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.813 -3.947 -6.371 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.289 -1.256 -6.753 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.937 -1.753 -5.754 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.334 -1.521 -3.992 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.062 -3.028 -4.513 1.00 0.00 H new ATOM 0 HE ARG A 48 7.422 -1.203 -6.039 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.650 -1.396 -2.600 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.110 -0.533 -2.105 1.00 0.00 H new ATOM 0 HH21 ARG A 48 9.294 -0.096 -5.397 1.00 0.00 H new ATOM 0 HH22 ARG A 48 9.602 0.200 -3.683 1.00 0.00 H new ATOM 746 N ILE A 49 4.049 -4.809 -9.895 1.00 0.00 N ATOM 747 CA ILE A 49 3.827 -6.089 -10.554 1.00 0.00 C ATOM 748 C ILE A 49 4.299 -6.050 -12.004 1.00 0.00 C ATOM 749 O ILE A 49 4.477 -7.091 -12.639 1.00 0.00 O ATOM 750 CB ILE A 49 2.341 -6.490 -10.521 1.00 0.00 C ATOM 751 CG1 ILE A 49 1.523 -5.575 -11.434 1.00 0.00 C ATOM 752 CG2 ILE A 49 1.810 -6.437 -9.096 1.00 0.00 C ATOM 753 CD1 ILE A 49 0.041 -5.878 -11.423 1.00 0.00 C ATOM 0 H ILE A 49 3.538 -4.028 -10.307 1.00 0.00 H new ATOM 0 HA ILE A 49 4.407 -6.831 -10.005 1.00 0.00 H new ATOM 0 HB ILE A 49 2.248 -7.513 -10.885 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.676 -4.540 -11.129 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.896 -5.665 -12.454 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.758 -6.723 -9.089 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.378 -7.126 -8.470 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.913 -5.424 -8.707 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.476 -5.191 -12.093 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.123 -6.902 -11.757 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.347 -5.760 -10.411 1.00 0.00 H new ATOM 765 N LEU A 50 4.502 -4.844 -12.521 1.00 0.00 N ATOM 766 CA LEU A 50 4.956 -4.668 -13.897 1.00 0.00 C ATOM 767 C LEU A 50 6.423 -4.251 -13.937 1.00 0.00 C ATOM 768 O LEU A 50 7.283 -5.013 -14.378 1.00 0.00 O ATOM 769 CB LEU A 50 4.097 -3.621 -14.608 1.00 0.00 C ATOM 770 CG LEU A 50 2.589 -3.720 -14.375 1.00 0.00 C ATOM 771 CD1 LEU A 50 1.920 -2.380 -14.637 1.00 0.00 C ATOM 772 CD2 LEU A 50 1.983 -4.802 -15.257 1.00 0.00 C ATOM 0 H LEU A 50 4.360 -3.973 -12.009 1.00 0.00 H new ATOM 0 HA LEU A 50 4.855 -5.623 -14.412 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.429 -2.632 -14.292 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.284 -3.693 -15.679 1.00 0.00 H new ATOM 0 HG LEU A 50 2.418 -3.991 -13.333 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.847 -2.469 -14.466 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.333 -1.629 -13.964 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.099 -2.079 -15.669 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.909 -4.858 -15.078 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.164 -4.561 -16.305 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.441 -5.763 -15.021 1.00 0.00 H new ATOM 784 N ASP A 51 6.701 -3.038 -13.471 1.00 0.00 N ATOM 785 CA ASP A 51 8.064 -2.521 -13.451 1.00 0.00 C ATOM 786 C ASP A 51 8.224 -1.454 -12.373 1.00 0.00 C ATOM 787 O ASP A 51 7.275 -0.746 -12.041 1.00 0.00 O ATOM 788 CB ASP A 51 8.434 -1.943 -14.818 1.00 0.00 C ATOM 789 CG ASP A 51 7.264 -1.250 -15.489 1.00 0.00 C ATOM 790 OD1 ASP A 51 6.457 -0.622 -14.772 1.00 0.00 O ATOM 791 OD2 ASP A 51 7.155 -1.336 -16.730 1.00 0.00 O ATOM 0 H ASP A 51 6.000 -2.395 -13.102 1.00 0.00 H new ATOM 0 HA ASP A 51 8.737 -3.348 -13.222 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.253 -1.234 -14.700 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.796 -2.744 -15.462 1.00 0.00 H new ATOM 796 N ASN A 52 9.433 -1.345 -11.829 1.00 0.00 N ATOM 797 CA ASN A 52 9.717 -0.365 -10.787 1.00 0.00 C ATOM 798 C ASN A 52 10.523 0.804 -11.345 1.00 0.00 C ATOM 799 O ASN A 52 11.280 1.450 -10.622 1.00 0.00 O ATOM 800 CB ASN A 52 10.480 -1.022 -9.635 1.00 0.00 C ATOM 801 CG ASN A 52 10.106 -0.438 -8.287 1.00 0.00 C ATOM 802 OD1 ASN A 52 10.972 -0.027 -7.514 1.00 0.00 O ATOM 803 ND2 ASN A 52 8.810 -0.399 -7.998 1.00 0.00 N ATOM 0 H ASN A 52 10.231 -1.923 -12.093 1.00 0.00 H new ATOM 0 HA ASN A 52 8.767 0.018 -10.413 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.278 -2.093 -9.633 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.551 -0.900 -9.796 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.498 -0.017 -7.105 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.127 -0.751 -8.669 1.00 0.00 H new ATOM 810 N ASP A 53 10.354 1.069 -12.636 1.00 0.00 N ATOM 811 CA ASP A 53 11.064 2.161 -13.291 1.00 0.00 C ATOM 812 C ASP A 53 10.083 3.151 -13.912 1.00 0.00 C ATOM 813 O ASP A 53 10.307 4.361 -13.882 1.00 0.00 O ATOM 814 CB ASP A 53 12.005 1.614 -14.366 1.00 0.00 C ATOM 815 CG ASP A 53 13.183 2.532 -14.625 1.00 0.00 C ATOM 816 OD1 ASP A 53 13.329 3.532 -13.892 1.00 0.00 O ATOM 817 OD2 ASP A 53 13.961 2.248 -15.560 1.00 0.00 O ATOM 0 H ASP A 53 9.732 0.543 -13.249 1.00 0.00 H new ATOM 0 HA ASP A 53 11.652 2.684 -12.537 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.372 0.634 -14.059 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.449 1.471 -15.293 1.00 0.00 H new ATOM 822 N GLN A 54 8.999 2.629 -14.475 1.00 0.00 N ATOM 823 CA GLN A 54 7.985 3.467 -15.105 1.00 0.00 C ATOM 824 C GLN A 54 8.619 4.427 -16.106 1.00 0.00 C ATOM 825 O GLN A 54 8.137 5.542 -16.303 1.00 0.00 O ATOM 826 CB GLN A 54 7.214 4.254 -14.044 1.00 0.00 C ATOM 827 CG GLN A 54 6.356 3.381 -13.143 1.00 0.00 C ATOM 828 CD GLN A 54 5.441 2.458 -13.923 1.00 0.00 C ATOM 829 OE1 GLN A 54 5.079 2.743 -15.065 1.00 0.00 O ATOM 830 NE2 GLN A 54 5.062 1.343 -13.310 1.00 0.00 N ATOM 0 H GLN A 54 8.800 1.629 -14.508 1.00 0.00 H new ATOM 0 HA GLN A 54 7.293 2.817 -15.640 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.922 4.810 -13.430 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.577 4.987 -14.539 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.002 2.786 -12.498 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.755 4.017 -12.493 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.386 1.146 -12.363 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.447 0.683 -13.786 1.00 0.00 H new ATOM 839 N SER A 55 9.703 3.986 -16.737 1.00 0.00 N ATOM 840 CA SER A 55 10.405 4.808 -17.716 1.00 0.00 C ATOM 841 C SER A 55 9.837 4.591 -19.115 1.00 0.00 C ATOM 842 O SER A 55 10.007 5.426 -20.002 1.00 0.00 O ATOM 843 CB SER A 55 11.901 4.485 -17.704 1.00 0.00 C ATOM 844 OG SER A 55 12.516 4.959 -16.519 1.00 0.00 O ATOM 0 H SER A 55 10.114 3.064 -16.588 1.00 0.00 H new ATOM 0 HA SER A 55 10.264 5.854 -17.444 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.044 3.408 -17.786 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.381 4.937 -18.572 1.00 0.00 H new ATOM 0 HG SER A 55 13.471 4.739 -16.535 1.00 0.00 H new ATOM 850 N GLY A 56 9.162 3.461 -19.304 1.00 0.00 N ATOM 851 CA GLY A 56 8.579 3.153 -20.597 1.00 0.00 C ATOM 852 C GLY A 56 8.438 1.662 -20.829 1.00 0.00 C ATOM 853 O GLY A 56 7.328 1.152 -20.983 1.00 0.00 O ATOM 0 H GLY A 56 9.009 2.754 -18.585 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.599 3.623 -20.671 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.199 3.583 -21.383 1.00 0.00 H new ATOM 857 N PHE A 57 9.566 0.959 -20.855 1.00 0.00 N ATOM 858 CA PHE A 57 9.564 -0.483 -21.073 1.00 0.00 C ATOM 859 C PHE A 57 10.260 -1.207 -19.925 1.00 0.00 C ATOM 860 O PHE A 57 10.589 -0.602 -18.904 1.00 0.00 O ATOM 861 CB PHE A 57 10.252 -0.821 -22.397 1.00 0.00 C ATOM 862 CG PHE A 57 11.741 -0.627 -22.365 1.00 0.00 C ATOM 863 CD1 PHE A 57 12.286 0.645 -22.292 1.00 0.00 C ATOM 864 CD2 PHE A 57 12.596 -1.717 -22.408 1.00 0.00 C ATOM 865 CE1 PHE A 57 13.656 0.827 -22.261 1.00 0.00 C ATOM 866 CE2 PHE A 57 13.967 -1.541 -22.378 1.00 0.00 C ATOM 867 CZ PHE A 57 14.498 -0.268 -22.305 1.00 0.00 C ATOM 0 H PHE A 57 10.493 1.365 -20.728 1.00 0.00 H new ATOM 0 HA PHE A 57 8.528 -0.818 -21.115 1.00 0.00 H new ATOM 0 HB2 PHE A 57 10.034 -1.857 -22.656 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.829 -0.199 -23.186 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.633 1.504 -22.259 1.00 0.00 H new ATOM 0 HD2 PHE A 57 12.187 -2.715 -22.466 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.068 1.824 -22.202 1.00 0.00 H new ATOM 0 HE2 PHE A 57 14.623 -2.399 -22.412 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.569 -0.129 -22.282 1.00 0.00 H new ATOM 877 N ILE A 58 10.481 -2.506 -20.100 1.00 0.00 N ATOM 878 CA ILE A 58 11.138 -3.313 -19.079 1.00 0.00 C ATOM 879 C ILE A 58 12.297 -4.109 -19.670 1.00 0.00 C ATOM 880 O ILE A 58 12.327 -4.382 -20.869 1.00 0.00 O ATOM 881 CB ILE A 58 10.150 -4.286 -18.409 1.00 0.00 C ATOM 882 CG1 ILE A 58 8.822 -3.582 -18.123 1.00 0.00 C ATOM 883 CG2 ILE A 58 10.747 -4.845 -17.126 1.00 0.00 C ATOM 884 CD1 ILE A 58 7.784 -4.484 -17.492 1.00 0.00 C ATOM 0 H ILE A 58 10.215 -3.022 -20.939 1.00 0.00 H new ATOM 0 HA ILE A 58 11.520 -2.622 -18.328 1.00 0.00 H new ATOM 0 HB ILE A 58 9.960 -5.115 -19.090 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.004 -2.734 -17.463 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.425 -3.181 -19.055 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.038 -5.531 -16.663 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.670 -5.378 -17.356 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.962 -4.027 -16.438 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.869 -3.919 -17.317 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.573 -5.319 -18.160 1.00 0.00 H new ATOM 0 HD13 ILE A 58 8.162 -4.865 -16.543 1.00 0.00 H new ATOM 896 N GLU A 59 13.248 -4.478 -18.819 1.00 0.00 N ATOM 897 CA GLU A 59 14.409 -5.245 -19.257 1.00 0.00 C ATOM 898 C GLU A 59 14.733 -6.358 -18.265 1.00 0.00 C ATOM 899 O GLU A 59 14.208 -6.382 -17.152 1.00 0.00 O ATOM 900 CB GLU A 59 15.621 -4.326 -19.422 1.00 0.00 C ATOM 901 CG GLU A 59 16.633 -4.830 -20.437 1.00 0.00 C ATOM 902 CD GLU A 59 16.002 -5.160 -21.776 1.00 0.00 C ATOM 903 OE1 GLU A 59 15.548 -6.310 -21.952 1.00 0.00 O ATOM 904 OE2 GLU A 59 15.962 -4.267 -22.649 1.00 0.00 O ATOM 0 H GLU A 59 13.238 -4.259 -17.823 1.00 0.00 H new ATOM 0 HA GLU A 59 14.171 -5.698 -20.219 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.278 -3.337 -19.724 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.114 -4.211 -18.456 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.406 -4.074 -20.580 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.126 -5.719 -20.043 1.00 0.00 H new ATOM 911 N GLU A 60 15.599 -7.277 -18.678 1.00 0.00 N ATOM 912 CA GLU A 60 15.992 -8.394 -17.826 1.00 0.00 C ATOM 913 C GLU A 60 16.591 -7.893 -16.514 1.00 0.00 C ATOM 914 O GLU A 60 16.623 -8.616 -15.518 1.00 0.00 O ATOM 915 CB GLU A 60 16.999 -9.288 -18.551 1.00 0.00 C ATOM 916 CG GLU A 60 16.501 -9.806 -19.890 1.00 0.00 C ATOM 917 CD GLU A 60 17.579 -10.528 -20.674 1.00 0.00 C ATOM 918 OE1 GLU A 60 18.391 -9.846 -21.333 1.00 0.00 O ATOM 919 OE2 GLU A 60 17.610 -11.776 -20.628 1.00 0.00 O ATOM 0 H GLU A 60 16.042 -7.271 -19.597 1.00 0.00 H new ATOM 0 HA GLU A 60 15.099 -8.976 -17.599 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.921 -8.729 -18.708 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.245 -10.136 -17.912 1.00 0.00 H new ATOM 0 HG2 GLU A 60 15.663 -10.483 -19.724 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.125 -8.971 -20.481 1.00 0.00 H new ATOM 926 N ASP A 61 17.064 -6.652 -16.523 1.00 0.00 N ATOM 927 CA ASP A 61 17.662 -6.054 -15.335 1.00 0.00 C ATOM 928 C ASP A 61 16.590 -5.692 -14.311 1.00 0.00 C ATOM 929 O ASP A 61 16.901 -5.296 -13.188 1.00 0.00 O ATOM 930 CB ASP A 61 18.464 -4.808 -15.714 1.00 0.00 C ATOM 931 CG ASP A 61 19.310 -4.293 -14.566 1.00 0.00 C ATOM 932 OD1 ASP A 61 20.006 -5.111 -13.928 1.00 0.00 O ATOM 933 OD2 ASP A 61 19.278 -3.072 -14.307 1.00 0.00 O ATOM 0 H ASP A 61 17.045 -6.041 -17.339 1.00 0.00 H new ATOM 0 HA ASP A 61 18.334 -6.787 -14.888 1.00 0.00 H new ATOM 0 HB2 ASP A 61 19.109 -5.039 -16.562 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.780 -4.024 -16.038 1.00 0.00 H new ATOM 938 N GLU A 62 15.329 -5.830 -14.708 1.00 0.00 N ATOM 939 CA GLU A 62 14.212 -5.515 -13.825 1.00 0.00 C ATOM 940 C GLU A 62 13.359 -6.753 -13.565 1.00 0.00 C ATOM 941 O GLU A 62 12.198 -6.649 -13.167 1.00 0.00 O ATOM 942 CB GLU A 62 13.350 -4.406 -14.431 1.00 0.00 C ATOM 943 CG GLU A 62 13.765 -3.009 -14.001 1.00 0.00 C ATOM 944 CD GLU A 62 13.022 -1.922 -14.753 1.00 0.00 C ATOM 945 OE1 GLU A 62 11.812 -1.745 -14.500 1.00 0.00 O ATOM 946 OE2 GLU A 62 13.651 -1.249 -15.596 1.00 0.00 O ATOM 0 H GLU A 62 15.055 -6.158 -15.634 1.00 0.00 H new ATOM 0 HA GLU A 62 14.620 -5.169 -12.875 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.399 -4.472 -15.518 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.310 -4.570 -14.148 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.586 -2.894 -12.932 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.837 -2.888 -14.159 1.00 0.00 H new ATOM 953 N LEU A 63 13.942 -7.925 -13.792 1.00 0.00 N ATOM 954 CA LEU A 63 13.236 -9.184 -13.583 1.00 0.00 C ATOM 955 C LEU A 63 13.929 -10.027 -12.517 1.00 0.00 C ATOM 956 O LEU A 63 13.317 -10.417 -11.523 1.00 0.00 O ATOM 957 CB LEU A 63 13.152 -9.968 -14.894 1.00 0.00 C ATOM 958 CG LEU A 63 12.814 -9.153 -16.143 1.00 0.00 C ATOM 959 CD1 LEU A 63 12.819 -10.041 -17.377 1.00 0.00 C ATOM 960 CD2 LEU A 63 11.465 -8.467 -15.982 1.00 0.00 C ATOM 0 H LEU A 63 14.902 -8.030 -14.121 1.00 0.00 H new ATOM 0 HA LEU A 63 12.228 -8.954 -13.239 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.107 -10.467 -15.058 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.400 -10.749 -14.780 1.00 0.00 H new ATOM 0 HG LEU A 63 13.577 -8.385 -16.271 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.576 -9.444 -18.256 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.806 -10.485 -17.501 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.078 -10.831 -17.259 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.240 -7.891 -16.880 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.691 -9.219 -15.829 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.497 -7.799 -15.121 1.00 0.00 H new ATOM 972 N LYS A 64 15.212 -10.303 -12.729 1.00 0.00 N ATOM 973 CA LYS A 64 15.991 -11.096 -11.786 1.00 0.00 C ATOM 974 C LYS A 64 15.756 -10.624 -10.355 1.00 0.00 C ATOM 975 O LYS A 64 15.706 -11.430 -9.425 1.00 0.00 O ATOM 976 CB LYS A 64 17.481 -11.010 -12.125 1.00 0.00 C ATOM 977 CG LYS A 64 17.814 -11.483 -13.529 1.00 0.00 C ATOM 978 CD LYS A 64 19.225 -11.089 -13.930 1.00 0.00 C ATOM 979 CE LYS A 64 19.248 -9.741 -14.635 1.00 0.00 C ATOM 980 NZ LYS A 64 20.588 -9.097 -14.555 1.00 0.00 N ATOM 0 H LYS A 64 15.734 -9.988 -13.547 1.00 0.00 H new ATOM 0 HA LYS A 64 15.666 -12.133 -11.866 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.812 -9.978 -12.010 1.00 0.00 H new ATOM 0 HB3 LYS A 64 18.043 -11.607 -11.407 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.708 -12.567 -13.583 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.102 -11.057 -14.236 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.858 -11.048 -13.044 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.644 -11.851 -14.587 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.970 -9.873 -15.681 1.00 0.00 H new ATOM 0 HE3 LYS A 64 18.502 -9.084 -14.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.563 -8.181 -15.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 20.842 -8.948 -13.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 21.296 -9.712 -15.005 1.00 0.00 H new ATOM 994 N TYR A 65 15.611 -9.315 -10.184 1.00 0.00 N ATOM 995 CA TYR A 65 15.382 -8.736 -8.866 1.00 0.00 C ATOM 996 C TYR A 65 13.928 -8.304 -8.705 1.00 0.00 C ATOM 997 O TYR A 65 13.643 -7.202 -8.235 1.00 0.00 O ATOM 998 CB TYR A 65 16.309 -7.540 -8.643 1.00 0.00 C ATOM 999 CG TYR A 65 17.759 -7.923 -8.455 1.00 0.00 C ATOM 1000 CD1 TYR A 65 18.471 -8.548 -9.472 1.00 0.00 C ATOM 1001 CD2 TYR A 65 18.418 -7.661 -7.260 1.00 0.00 C ATOM 1002 CE1 TYR A 65 19.795 -8.901 -9.305 1.00 0.00 C ATOM 1003 CE2 TYR A 65 19.744 -8.009 -7.085 1.00 0.00 C ATOM 1004 CZ TYR A 65 20.428 -8.629 -8.109 1.00 0.00 C ATOM 1005 OH TYR A 65 21.748 -8.978 -7.939 1.00 0.00 O ATOM 0 H TYR A 65 15.648 -8.634 -10.943 1.00 0.00 H new ATOM 0 HA TYR A 65 15.599 -9.500 -8.119 1.00 0.00 H new ATOM 0 HB2 TYR A 65 16.228 -6.865 -9.495 1.00 0.00 H new ATOM 0 HB3 TYR A 65 15.971 -6.988 -7.766 1.00 0.00 H new ATOM 0 HD1 TYR A 65 17.980 -8.761 -10.410 1.00 0.00 H new ATOM 0 HD2 TYR A 65 17.885 -7.177 -6.455 1.00 0.00 H new ATOM 0 HE1 TYR A 65 20.333 -9.387 -10.106 1.00 0.00 H new ATOM 0 HE2 TYR A 65 20.242 -7.796 -6.151 1.00 0.00 H new ATOM 0 HH TYR A 65 22.043 -8.716 -7.042 1.00 0.00 H new ATOM 1015 N PHE A 66 13.010 -9.181 -9.098 1.00 0.00 N ATOM 1016 CA PHE A 66 11.585 -8.892 -8.999 1.00 0.00 C ATOM 1017 C PHE A 66 11.021 -9.384 -7.669 1.00 0.00 C ATOM 1018 O PHE A 66 10.457 -8.609 -6.896 1.00 0.00 O ATOM 1019 CB PHE A 66 10.828 -9.545 -10.158 1.00 0.00 C ATOM 1020 CG PHE A 66 9.358 -9.237 -10.164 1.00 0.00 C ATOM 1021 CD1 PHE A 66 8.483 -9.957 -9.367 1.00 0.00 C ATOM 1022 CD2 PHE A 66 8.852 -8.227 -10.966 1.00 0.00 C ATOM 1023 CE1 PHE A 66 7.130 -9.676 -9.371 1.00 0.00 C ATOM 1024 CE2 PHE A 66 7.500 -7.941 -10.974 1.00 0.00 C ATOM 1025 CZ PHE A 66 6.638 -8.666 -10.175 1.00 0.00 C ATOM 0 H PHE A 66 13.228 -10.098 -9.488 1.00 0.00 H new ATOM 0 HA PHE A 66 11.455 -7.811 -9.052 1.00 0.00 H new ATOM 0 HB2 PHE A 66 11.264 -9.212 -11.100 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.964 -10.625 -10.108 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.863 -10.747 -8.736 1.00 0.00 H new ATOM 0 HD2 PHE A 66 9.522 -7.657 -11.592 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.458 -10.245 -8.746 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.118 -7.152 -11.604 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.581 -8.444 -10.179 1.00 0.00 H new ATOM 1035 N LEU A 67 11.178 -10.677 -7.409 1.00 0.00 N ATOM 1036 CA LEU A 67 10.685 -11.274 -6.173 1.00 0.00 C ATOM 1037 C LEU A 67 11.257 -10.555 -4.955 1.00 0.00 C ATOM 1038 O LEU A 67 10.685 -10.609 -3.867 1.00 0.00 O ATOM 1039 CB LEU A 67 11.049 -12.759 -6.120 1.00 0.00 C ATOM 1040 CG LEU A 67 10.750 -13.569 -7.382 1.00 0.00 C ATOM 1041 CD1 LEU A 67 11.041 -15.044 -7.152 1.00 0.00 C ATOM 1042 CD2 LEU A 67 9.305 -13.370 -7.814 1.00 0.00 C ATOM 0 H LEU A 67 11.643 -11.332 -8.038 1.00 0.00 H new ATOM 0 HA LEU A 67 9.600 -11.171 -6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.114 -12.844 -5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.515 -13.214 -5.286 1.00 0.00 H new ATOM 0 HG LEU A 67 11.400 -13.212 -8.181 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.822 -15.604 -8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.092 -15.171 -6.891 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.418 -15.415 -6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.110 -13.954 -8.714 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.638 -13.699 -7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.129 -12.314 -8.022 1.00 0.00 H new ATOM 1054 N GLN A 68 12.386 -9.882 -5.148 1.00 0.00 N ATOM 1055 CA GLN A 68 13.034 -9.151 -4.065 1.00 0.00 C ATOM 1056 C GLN A 68 12.099 -8.094 -3.487 1.00 0.00 C ATOM 1057 O GLN A 68 12.333 -7.575 -2.395 1.00 0.00 O ATOM 1058 CB GLN A 68 14.321 -8.493 -4.565 1.00 0.00 C ATOM 1059 CG GLN A 68 15.514 -8.718 -3.650 1.00 0.00 C ATOM 1060 CD GLN A 68 16.824 -8.801 -4.408 1.00 0.00 C ATOM 1061 OE1 GLN A 68 17.793 -8.119 -4.074 1.00 0.00 O ATOM 1062 NE2 GLN A 68 16.860 -9.640 -5.437 1.00 0.00 N ATOM 0 H GLN A 68 12.871 -9.827 -6.044 1.00 0.00 H new ATOM 0 HA GLN A 68 13.281 -9.862 -3.276 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.556 -8.880 -5.556 1.00 0.00 H new ATOM 0 HB3 GLN A 68 14.153 -7.421 -4.673 1.00 0.00 H new ATOM 0 HG2 GLN A 68 15.569 -7.906 -2.925 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.366 -9.639 -3.086 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.033 -10.186 -5.679 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.714 -9.738 -5.985 1.00 0.00 H new ATOM 1071 N ARG A 69 11.040 -7.779 -4.226 1.00 0.00 N ATOM 1072 CA ARG A 69 10.071 -6.782 -3.787 1.00 0.00 C ATOM 1073 C ARG A 69 9.034 -7.405 -2.858 1.00 0.00 C ATOM 1074 O ARG A 69 8.839 -6.947 -1.732 1.00 0.00 O ATOM 1075 CB ARG A 69 9.375 -6.150 -4.994 1.00 0.00 C ATOM 1076 CG ARG A 69 10.132 -4.971 -5.584 1.00 0.00 C ATOM 1077 CD ARG A 69 9.534 -3.646 -5.136 1.00 0.00 C ATOM 1078 NE ARG A 69 10.565 -2.664 -4.810 1.00 0.00 N ATOM 1079 CZ ARG A 69 11.177 -2.605 -3.632 1.00 0.00 C ATOM 1080 NH1 ARG A 69 10.864 -3.467 -2.675 1.00 0.00 N ATOM 1081 NH2 ARG A 69 12.104 -1.682 -3.411 1.00 0.00 N ATOM 0 H ARG A 69 10.831 -8.200 -5.131 1.00 0.00 H new ATOM 0 HA ARG A 69 10.607 -6.008 -3.239 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.243 -6.909 -5.765 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.379 -5.820 -4.697 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.178 -5.020 -5.282 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.112 -5.032 -6.672 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.894 -3.252 -5.925 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.901 -3.810 -4.264 1.00 0.00 H new ATOM 0 HE ARG A 69 10.830 -1.987 -5.525 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.152 -4.178 -2.842 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.335 -3.419 -1.772 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.347 -1.017 -4.145 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.574 -1.637 -2.507 1.00 0.00 H new ATOM 1095 N PHE A 70 8.370 -8.452 -3.337 1.00 0.00 N ATOM 1096 CA PHE A 70 7.351 -9.137 -2.550 1.00 0.00 C ATOM 1097 C PHE A 70 7.992 -10.033 -1.493 1.00 0.00 C ATOM 1098 O PHE A 70 7.753 -9.867 -0.298 1.00 0.00 O ATOM 1099 CB PHE A 70 6.447 -9.970 -3.461 1.00 0.00 C ATOM 1100 CG PHE A 70 5.563 -9.141 -4.348 1.00 0.00 C ATOM 1101 CD1 PHE A 70 4.455 -8.490 -3.830 1.00 0.00 C ATOM 1102 CD2 PHE A 70 5.840 -9.013 -5.700 1.00 0.00 C ATOM 1103 CE1 PHE A 70 3.640 -7.725 -4.644 1.00 0.00 C ATOM 1104 CE2 PHE A 70 5.028 -8.250 -6.518 1.00 0.00 C ATOM 1105 CZ PHE A 70 3.926 -7.606 -5.990 1.00 0.00 C ATOM 0 H PHE A 70 8.519 -8.845 -4.266 1.00 0.00 H new ATOM 0 HA PHE A 70 6.749 -8.382 -2.045 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.067 -10.617 -4.082 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.824 -10.620 -2.846 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.225 -8.581 -2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.700 -9.515 -6.119 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.780 -7.221 -4.228 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.255 -8.157 -7.570 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.290 -7.011 -6.628 1.00 0.00 H new ATOM 1115 N GLU A 71 8.805 -10.983 -1.945 1.00 0.00 N ATOM 1116 CA GLU A 71 9.478 -11.906 -1.039 1.00 0.00 C ATOM 1117 C GLU A 71 10.368 -11.151 -0.056 1.00 0.00 C ATOM 1118 O GLU A 71 10.429 -11.486 1.127 1.00 0.00 O ATOM 1119 CB GLU A 71 10.314 -12.914 -1.831 1.00 0.00 C ATOM 1120 CG GLU A 71 11.127 -13.851 -0.955 1.00 0.00 C ATOM 1121 CD GLU A 71 10.261 -14.823 -0.177 1.00 0.00 C ATOM 1122 OE1 GLU A 71 9.159 -15.155 -0.664 1.00 0.00 O ATOM 1123 OE2 GLU A 71 10.683 -15.251 0.917 1.00 0.00 O ATOM 0 H GLU A 71 9.013 -11.133 -2.932 1.00 0.00 H new ATOM 0 HA GLU A 71 8.715 -12.442 -0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.652 -13.505 -2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.989 -12.372 -2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.825 -14.411 -1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.724 -13.263 -0.257 1.00 0.00 H new ATOM 1130 N SER A 72 11.059 -10.131 -0.556 1.00 0.00 N ATOM 1131 CA SER A 72 11.950 -9.331 0.276 1.00 0.00 C ATOM 1132 C SER A 72 13.097 -10.179 0.816 1.00 0.00 C ATOM 1133 O SER A 72 13.777 -9.793 1.766 1.00 0.00 O ATOM 1134 CB SER A 72 11.174 -8.706 1.437 1.00 0.00 C ATOM 1135 OG SER A 72 11.775 -7.494 1.859 1.00 0.00 O ATOM 0 H SER A 72 11.019 -9.839 -1.533 1.00 0.00 H new ATOM 0 HA SER A 72 12.368 -8.537 -0.343 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.145 -8.518 1.131 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.136 -9.406 2.271 1.00 0.00 H new ATOM 0 HG SER A 72 11.259 -7.114 2.601 1.00 0.00 H new ATOM 1141 N GLY A 73 13.307 -11.340 0.201 1.00 0.00 N ATOM 1142 CA GLY A 73 14.373 -12.226 0.632 1.00 0.00 C ATOM 1143 C GLY A 73 15.195 -12.751 -0.528 1.00 0.00 C ATOM 1144 O GLY A 73 16.407 -12.927 -0.408 1.00 0.00 O ATOM 0 H GLY A 73 12.758 -11.682 -0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.026 -11.694 1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.944 -13.066 1.179 1.00 0.00 H new ATOM 1148 N ALA A 74 14.535 -13.002 -1.654 1.00 0.00 N ATOM 1149 CA ALA A 74 15.213 -13.510 -2.840 1.00 0.00 C ATOM 1150 C ALA A 74 16.401 -12.629 -3.212 1.00 0.00 C ATOM 1151 O ALA A 74 16.615 -11.573 -2.615 1.00 0.00 O ATOM 1152 CB ALA A 74 14.239 -13.605 -4.005 1.00 0.00 C ATOM 0 H ALA A 74 13.531 -12.862 -1.770 1.00 0.00 H new ATOM 0 HA ALA A 74 15.590 -14.507 -2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.759 -13.986 -4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.425 -14.281 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.835 -12.616 -4.223 1.00 0.00 H new ATOM 1158 N ARG A 75 17.172 -13.070 -4.201 1.00 0.00 N ATOM 1159 CA ARG A 75 18.340 -12.322 -4.651 1.00 0.00 C ATOM 1160 C ARG A 75 18.421 -12.305 -6.174 1.00 0.00 C ATOM 1161 O ARG A 75 18.585 -11.250 -6.786 1.00 0.00 O ATOM 1162 CB ARG A 75 19.617 -12.931 -4.068 1.00 0.00 C ATOM 1163 CG ARG A 75 19.526 -14.430 -3.836 1.00 0.00 C ATOM 1164 CD ARG A 75 20.861 -15.115 -4.088 1.00 0.00 C ATOM 1165 NE ARG A 75 21.185 -16.082 -3.043 1.00 0.00 N ATOM 1166 CZ ARG A 75 20.582 -17.259 -2.919 1.00 0.00 C ATOM 1167 NH1 ARG A 75 19.628 -17.612 -3.769 1.00 0.00 N ATOM 1168 NH2 ARG A 75 20.933 -18.086 -1.942 1.00 0.00 N ATOM 0 H ARG A 75 17.009 -13.941 -4.706 1.00 0.00 H new ATOM 0 HA ARG A 75 18.241 -11.295 -4.299 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.448 -12.726 -4.743 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.845 -12.439 -3.123 1.00 0.00 H new ATOM 0 HG2 ARG A 75 19.205 -14.622 -2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 75 18.768 -14.856 -4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 75 20.833 -15.620 -5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.649 -14.364 -4.144 1.00 0.00 H new ATOM 0 HE ARG A 75 21.914 -15.841 -2.372 1.00 0.00 H new ATOM 0 HH11 ARG A 75 19.355 -16.979 -4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 75 19.167 -18.517 -3.671 1.00 0.00 H new ATOM 0 HH21 ARG A 75 21.666 -17.818 -1.286 1.00 0.00 H new ATOM 0 HH22 ARG A 75 20.469 -18.990 -1.848 1.00 0.00 H new ATOM 1182 N VAL A 76 18.305 -13.482 -6.781 1.00 0.00 N ATOM 1183 CA VAL A 76 18.364 -13.603 -8.233 1.00 0.00 C ATOM 1184 C VAL A 76 17.449 -14.717 -8.730 1.00 0.00 C ATOM 1185 O VAL A 76 17.219 -15.704 -8.030 1.00 0.00 O ATOM 1186 CB VAL A 76 19.801 -13.880 -8.715 1.00 0.00 C ATOM 1187 CG1 VAL A 76 19.893 -13.742 -10.227 1.00 0.00 C ATOM 1188 CG2 VAL A 76 20.783 -12.946 -8.025 1.00 0.00 C ATOM 0 H VAL A 76 18.170 -14.365 -6.290 1.00 0.00 H new ATOM 0 HA VAL A 76 18.028 -12.651 -8.644 1.00 0.00 H new ATOM 0 HB VAL A 76 20.063 -14.905 -8.452 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.915 -13.941 -10.549 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.218 -14.456 -10.699 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.612 -12.730 -10.518 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.793 -13.155 -8.377 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.525 -11.912 -8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 76 20.735 -13.100 -6.947 1.00 0.00 H new ATOM 1198 N LEU A 77 16.931 -14.553 -9.941 1.00 0.00 N ATOM 1199 CA LEU A 77 16.041 -15.545 -10.534 1.00 0.00 C ATOM 1200 C LEU A 77 16.754 -16.332 -11.628 1.00 0.00 C ATOM 1201 O LEU A 77 17.886 -16.019 -11.996 1.00 0.00 O ATOM 1202 CB LEU A 77 14.796 -14.865 -11.107 1.00 0.00 C ATOM 1203 CG LEU A 77 13.756 -14.399 -10.088 1.00 0.00 C ATOM 1204 CD1 LEU A 77 13.159 -13.064 -10.506 1.00 0.00 C ATOM 1205 CD2 LEU A 77 12.663 -15.446 -9.925 1.00 0.00 C ATOM 0 H LEU A 77 17.112 -13.742 -10.533 1.00 0.00 H new ATOM 0 HA LEU A 77 15.739 -16.240 -9.751 1.00 0.00 H new ATOM 0 HB2 LEU A 77 15.115 -14.002 -11.691 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.314 -15.557 -11.797 1.00 0.00 H new ATOM 0 HG LEU A 77 14.252 -14.267 -9.126 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.421 -12.749 -9.769 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.949 -12.316 -10.571 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.678 -13.169 -11.479 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.931 -15.098 -9.196 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.171 -15.610 -10.883 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.103 -16.381 -9.579 1.00 0.00 H new ATOM 1217 N THR A 78 16.083 -17.356 -12.147 1.00 0.00 N ATOM 1218 CA THR A 78 16.651 -18.188 -13.200 1.00 0.00 C ATOM 1219 C THR A 78 16.611 -17.474 -14.546 1.00 0.00 C ATOM 1220 O THR A 78 16.125 -16.349 -14.648 1.00 0.00 O ATOM 1221 CB THR A 78 15.905 -19.530 -13.320 1.00 0.00 C ATOM 1222 OG1 THR A 78 14.570 -19.308 -13.789 1.00 0.00 O ATOM 1223 CG2 THR A 78 15.864 -20.249 -11.980 1.00 0.00 C ATOM 0 H THR A 78 15.145 -17.629 -11.855 1.00 0.00 H new ATOM 0 HA THR A 78 17.688 -18.381 -12.925 1.00 0.00 H new ATOM 0 HB THR A 78 16.441 -20.156 -14.033 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.998 -19.050 -13.037 1.00 0.00 H new ATOM 0 HG21 THR A 78 15.332 -21.194 -12.090 1.00 0.00 H new ATOM 0 HG22 THR A 78 16.881 -20.443 -11.640 1.00 0.00 H new ATOM 0 HG23 THR A 78 15.349 -19.626 -11.248 1.00 0.00 H new ATOM 1231 N ALA A 79 17.124 -18.137 -15.577 1.00 0.00 N ATOM 1232 CA ALA A 79 17.144 -17.567 -16.918 1.00 0.00 C ATOM 1233 C ALA A 79 15.820 -17.804 -17.636 1.00 0.00 C ATOM 1234 O ALA A 79 15.618 -17.337 -18.757 1.00 0.00 O ATOM 1235 CB ALA A 79 18.295 -18.151 -17.724 1.00 0.00 C ATOM 0 H ALA A 79 17.531 -19.070 -15.509 1.00 0.00 H new ATOM 0 HA ALA A 79 17.289 -16.491 -16.825 1.00 0.00 H new ATOM 0 HB1 ALA A 79 18.297 -17.716 -18.723 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.239 -17.924 -17.228 1.00 0.00 H new ATOM 0 HB3 ALA A 79 18.175 -19.232 -17.799 1.00 0.00 H new ATOM 1241 N SER A 80 14.921 -18.534 -16.983 1.00 0.00 N ATOM 1242 CA SER A 80 13.617 -18.838 -17.561 1.00 0.00 C ATOM 1243 C SER A 80 12.537 -17.939 -16.968 1.00 0.00 C ATOM 1244 O SER A 80 11.773 -17.306 -17.696 1.00 0.00 O ATOM 1245 CB SER A 80 13.261 -20.307 -17.324 1.00 0.00 C ATOM 1246 OG SER A 80 13.887 -21.144 -18.281 1.00 0.00 O ATOM 0 H SER A 80 15.072 -18.926 -16.053 1.00 0.00 H new ATOM 0 HA SER A 80 13.670 -18.653 -18.634 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.569 -20.602 -16.321 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.180 -20.435 -17.376 1.00 0.00 H new ATOM 0 HG SER A 80 13.645 -22.078 -18.107 1.00 0.00 H new ATOM 1252 N GLU A 81 12.481 -17.888 -15.640 1.00 0.00 N ATOM 1253 CA GLU A 81 11.494 -17.067 -14.949 1.00 0.00 C ATOM 1254 C GLU A 81 11.530 -15.629 -15.458 1.00 0.00 C ATOM 1255 O GLU A 81 10.493 -15.041 -15.767 1.00 0.00 O ATOM 1256 CB GLU A 81 11.745 -17.092 -13.439 1.00 0.00 C ATOM 1257 CG GLU A 81 11.273 -18.369 -12.765 1.00 0.00 C ATOM 1258 CD GLU A 81 12.035 -18.671 -11.489 1.00 0.00 C ATOM 1259 OE1 GLU A 81 13.274 -18.519 -11.487 1.00 0.00 O ATOM 1260 OE2 GLU A 81 11.390 -19.058 -10.491 1.00 0.00 O ATOM 0 H GLU A 81 13.107 -18.405 -15.023 1.00 0.00 H new ATOM 0 HA GLU A 81 10.507 -17.482 -15.153 1.00 0.00 H new ATOM 0 HB2 GLU A 81 12.812 -16.967 -13.254 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.240 -16.241 -12.981 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.210 -18.284 -12.538 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.385 -19.204 -13.457 1.00 0.00 H new ATOM 1267 N THR A 82 12.732 -15.067 -15.541 1.00 0.00 N ATOM 1268 CA THR A 82 12.904 -13.698 -16.011 1.00 0.00 C ATOM 1269 C THR A 82 12.642 -13.593 -17.509 1.00 0.00 C ATOM 1270 O THR A 82 11.928 -12.699 -17.964 1.00 0.00 O ATOM 1271 CB THR A 82 14.322 -13.175 -15.711 1.00 0.00 C ATOM 1272 OG1 THR A 82 15.292 -13.958 -16.416 1.00 0.00 O ATOM 1273 CG2 THR A 82 14.612 -13.224 -14.218 1.00 0.00 C ATOM 0 H THR A 82 13.600 -15.539 -15.289 1.00 0.00 H new ATOM 0 HA THR A 82 12.178 -13.087 -15.475 1.00 0.00 H new ATOM 0 HB THR A 82 14.381 -12.138 -16.043 1.00 0.00 H new ATOM 0 HG1 THR A 82 15.564 -14.719 -15.862 1.00 0.00 H new ATOM 0 HG21 THR A 82 15.619 -12.850 -14.030 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.890 -12.604 -13.687 1.00 0.00 H new ATOM 0 HG23 THR A 82 14.536 -14.253 -13.866 1.00 0.00 H new ATOM 1281 N LYS A 83 13.224 -14.512 -18.272 1.00 0.00 N ATOM 1282 CA LYS A 83 13.053 -14.525 -19.720 1.00 0.00 C ATOM 1283 C LYS A 83 11.575 -14.568 -20.092 1.00 0.00 C ATOM 1284 O LYS A 83 11.134 -13.875 -21.011 1.00 0.00 O ATOM 1285 CB LYS A 83 13.779 -15.727 -20.329 1.00 0.00 C ATOM 1286 CG LYS A 83 13.510 -15.912 -21.812 1.00 0.00 C ATOM 1287 CD LYS A 83 14.252 -17.115 -22.368 1.00 0.00 C ATOM 1288 CE LYS A 83 15.654 -16.743 -22.827 1.00 0.00 C ATOM 1289 NZ LYS A 83 16.625 -16.741 -21.698 1.00 0.00 N ATOM 0 H LYS A 83 13.819 -15.258 -17.911 1.00 0.00 H new ATOM 0 HA LYS A 83 13.484 -13.607 -20.121 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.852 -15.609 -20.175 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.478 -16.630 -19.798 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.440 -16.036 -21.976 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.813 -15.015 -22.352 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.312 -17.891 -21.605 1.00 0.00 H new ATOM 0 HD3 LYS A 83 13.693 -17.533 -23.205 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.985 -17.448 -23.590 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.635 -15.757 -23.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.938 -15.767 -21.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.169 -17.128 -20.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 17.447 -17.327 -21.946 1.00 0.00 H new ATOM 1303 N THR A 84 10.811 -15.385 -19.373 1.00 0.00 N ATOM 1304 CA THR A 84 9.382 -15.518 -19.628 1.00 0.00 C ATOM 1305 C THR A 84 8.584 -14.494 -18.829 1.00 0.00 C ATOM 1306 O THR A 84 7.376 -14.642 -18.643 1.00 0.00 O ATOM 1307 CB THR A 84 8.878 -16.931 -19.279 1.00 0.00 C ATOM 1308 OG1 THR A 84 7.546 -17.112 -19.773 1.00 0.00 O ATOM 1309 CG2 THR A 84 8.902 -17.158 -17.775 1.00 0.00 C ATOM 0 H THR A 84 11.159 -15.965 -18.609 1.00 0.00 H new ATOM 0 HA THR A 84 9.233 -15.340 -20.693 1.00 0.00 H new ATOM 0 HB THR A 84 9.541 -17.656 -19.750 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.233 -18.013 -19.548 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.542 -18.162 -17.553 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.922 -17.049 -17.407 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.259 -16.426 -17.286 1.00 0.00 H new ATOM 1317 N PHE A 85 9.266 -13.455 -18.359 1.00 0.00 N ATOM 1318 CA PHE A 85 8.619 -12.406 -17.579 1.00 0.00 C ATOM 1319 C PHE A 85 8.086 -11.303 -18.488 1.00 0.00 C ATOM 1320 O PHE A 85 6.940 -10.872 -18.354 1.00 0.00 O ATOM 1321 CB PHE A 85 9.601 -11.817 -16.564 1.00 0.00 C ATOM 1322 CG PHE A 85 8.961 -11.443 -15.258 1.00 0.00 C ATOM 1323 CD1 PHE A 85 8.621 -12.418 -14.334 1.00 0.00 C ATOM 1324 CD2 PHE A 85 8.700 -10.117 -14.953 1.00 0.00 C ATOM 1325 CE1 PHE A 85 8.031 -12.077 -13.132 1.00 0.00 C ATOM 1326 CE2 PHE A 85 8.111 -9.770 -13.752 1.00 0.00 C ATOM 1327 CZ PHE A 85 7.777 -10.751 -12.839 1.00 0.00 C ATOM 0 H PHE A 85 10.266 -13.317 -18.504 1.00 0.00 H new ATOM 0 HA PHE A 85 7.779 -12.850 -17.045 1.00 0.00 H new ATOM 0 HB2 PHE A 85 10.395 -12.540 -16.377 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.071 -10.933 -16.996 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.819 -13.456 -14.556 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.960 -9.345 -15.662 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.768 -12.847 -12.422 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.912 -8.732 -13.528 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.319 -10.482 -11.899 1.00 0.00 H new ATOM 1337 N LEU A 86 8.925 -10.849 -19.412 1.00 0.00 N ATOM 1338 CA LEU A 86 8.540 -9.795 -20.345 1.00 0.00 C ATOM 1339 C LEU A 86 8.511 -10.319 -21.777 1.00 0.00 C ATOM 1340 O LEU A 86 7.755 -9.825 -22.613 1.00 0.00 O ATOM 1341 CB LEU A 86 9.509 -8.616 -20.241 1.00 0.00 C ATOM 1342 CG LEU A 86 10.830 -8.894 -19.521 1.00 0.00 C ATOM 1343 CD1 LEU A 86 11.695 -9.839 -20.340 1.00 0.00 C ATOM 1344 CD2 LEU A 86 11.570 -7.594 -19.245 1.00 0.00 C ATOM 0 H LEU A 86 9.877 -11.194 -19.536 1.00 0.00 H new ATOM 0 HA LEU A 86 7.538 -9.458 -20.081 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.734 -8.267 -21.249 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.002 -7.800 -19.726 1.00 0.00 H new ATOM 0 HG LEU A 86 10.609 -9.372 -18.567 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.630 -10.025 -19.812 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.167 -10.781 -20.486 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.909 -9.389 -21.309 1.00 0.00 H new ATOM 0 HD21 LEU A 86 12.507 -7.811 -18.732 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.780 -7.088 -20.187 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.953 -6.951 -18.617 1.00 0.00 H new ATOM 1356 N ALA A 87 9.337 -11.324 -22.051 1.00 0.00 N ATOM 1357 CA ALA A 87 9.402 -11.918 -23.381 1.00 0.00 C ATOM 1358 C ALA A 87 8.296 -12.950 -23.576 1.00 0.00 C ATOM 1359 O ALA A 87 8.203 -13.582 -24.627 1.00 0.00 O ATOM 1360 CB ALA A 87 10.766 -12.553 -23.609 1.00 0.00 C ATOM 0 H ALA A 87 9.970 -11.744 -21.370 1.00 0.00 H new ATOM 0 HA ALA A 87 9.256 -11.125 -24.114 1.00 0.00 H new ATOM 0 HB1 ALA A 87 10.801 -12.993 -24.606 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.541 -11.792 -23.521 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.935 -13.330 -22.864 1.00 0.00 H new ATOM 1366 N ALA A 88 7.461 -13.115 -22.556 1.00 0.00 N ATOM 1367 CA ALA A 88 6.361 -14.070 -22.616 1.00 0.00 C ATOM 1368 C ALA A 88 5.089 -13.410 -23.138 1.00 0.00 C ATOM 1369 O ALA A 88 4.335 -14.011 -23.902 1.00 0.00 O ATOM 1370 CB ALA A 88 6.117 -14.681 -21.244 1.00 0.00 C ATOM 0 H ALA A 88 7.525 -12.600 -21.678 1.00 0.00 H new ATOM 0 HA ALA A 88 6.638 -14.863 -23.310 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.293 -15.392 -21.304 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.018 -15.196 -20.910 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.865 -13.893 -20.534 1.00 0.00 H new ATOM 1376 N ALA A 89 4.856 -12.170 -22.718 1.00 0.00 N ATOM 1377 CA ALA A 89 3.676 -11.429 -23.144 1.00 0.00 C ATOM 1378 C ALA A 89 3.576 -11.383 -24.665 1.00 0.00 C ATOM 1379 O ALA A 89 2.617 -11.889 -25.249 1.00 0.00 O ATOM 1380 CB ALA A 89 3.704 -10.019 -22.573 1.00 0.00 C ATOM 0 H ALA A 89 5.469 -11.658 -22.083 1.00 0.00 H new ATOM 0 HA ALA A 89 2.795 -11.947 -22.763 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.817 -9.477 -22.899 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.720 -10.068 -21.484 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.596 -9.501 -22.926 1.00 0.00 H new ATOM 1386 N ASP A 90 4.571 -10.774 -25.301 1.00 0.00 N ATOM 1387 CA ASP A 90 4.595 -10.663 -26.755 1.00 0.00 C ATOM 1388 C ASP A 90 6.011 -10.403 -27.257 1.00 0.00 C ATOM 1389 O ASP A 90 6.969 -10.424 -26.483 1.00 0.00 O ATOM 1390 CB ASP A 90 3.662 -9.543 -27.218 1.00 0.00 C ATOM 1391 CG ASP A 90 4.327 -8.181 -27.172 1.00 0.00 C ATOM 1392 OD1 ASP A 90 5.135 -7.945 -26.250 1.00 0.00 O ATOM 1393 OD2 ASP A 90 4.039 -7.351 -28.059 1.00 0.00 O ATOM 0 H ASP A 90 5.372 -10.350 -24.832 1.00 0.00 H new ATOM 0 HA ASP A 90 4.249 -11.609 -27.173 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.330 -9.748 -28.236 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.772 -9.531 -26.588 1.00 0.00 H new ATOM 1453 N LYS A 96 9.793 -6.457 -25.335 1.00 0.00 N ATOM 1454 CA LYS A 96 9.728 -5.401 -24.331 1.00 0.00 C ATOM 1455 C LYS A 96 8.283 -4.986 -24.072 1.00 0.00 C ATOM 1456 O LYS A 96 7.556 -4.625 -24.998 1.00 0.00 O ATOM 1457 CB LYS A 96 10.545 -4.189 -24.783 1.00 0.00 C ATOM 1458 CG LYS A 96 10.035 -3.555 -26.065 1.00 0.00 C ATOM 1459 CD LYS A 96 10.972 -2.465 -26.559 1.00 0.00 C ATOM 1460 CE LYS A 96 10.622 -2.029 -27.974 1.00 0.00 C ATOM 1461 NZ LYS A 96 11.728 -1.258 -28.606 1.00 0.00 N ATOM 0 HA LYS A 96 10.148 -5.789 -23.403 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.538 -3.441 -23.990 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.582 -4.493 -24.926 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.929 -4.321 -26.833 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.044 -3.135 -25.895 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.919 -1.607 -25.889 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.000 -2.827 -26.532 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.399 -2.907 -28.580 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.719 -1.418 -27.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.451 -0.979 -29.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.924 -0.407 -28.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.583 -1.849 -28.649 1.00 0.00 H new ATOM 1475 N ILE A 97 7.875 -5.037 -22.809 1.00 0.00 N ATOM 1476 CA ILE A 97 6.519 -4.662 -22.429 1.00 0.00 C ATOM 1477 C ILE A 97 6.334 -3.149 -22.470 1.00 0.00 C ATOM 1478 O ILE A 97 7.255 -2.392 -22.166 1.00 0.00 O ATOM 1479 CB ILE A 97 6.168 -5.173 -21.019 1.00 0.00 C ATOM 1480 CG1 ILE A 97 6.643 -6.617 -20.843 1.00 0.00 C ATOM 1481 CG2 ILE A 97 4.670 -5.068 -20.775 1.00 0.00 C ATOM 1482 CD1 ILE A 97 6.071 -7.570 -21.869 1.00 0.00 C ATOM 0 H ILE A 97 8.464 -5.334 -22.031 1.00 0.00 H new ATOM 0 HA ILE A 97 5.849 -5.127 -23.153 1.00 0.00 H new ATOM 0 HB ILE A 97 6.680 -4.551 -20.285 1.00 0.00 H new ATOM 0 HG12 ILE A 97 7.731 -6.643 -20.902 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.369 -6.962 -19.846 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.438 -5.433 -19.774 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.359 -4.027 -20.863 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.138 -5.669 -21.513 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.450 -8.575 -21.684 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.983 -7.573 -21.796 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.366 -7.249 -22.868 1.00 0.00 H new ATOM 1494 N GLY A 98 5.135 -2.715 -22.847 1.00 0.00 N ATOM 1495 CA GLY A 98 4.850 -1.294 -22.920 1.00 0.00 C ATOM 1496 C GLY A 98 3.515 -0.938 -22.295 1.00 0.00 C ATOM 1497 O GLY A 98 2.687 -0.277 -22.920 1.00 0.00 O ATOM 0 H GLY A 98 4.356 -3.322 -23.103 1.00 0.00 H new ATOM 0 HA2 GLY A 98 5.643 -0.741 -22.416 1.00 0.00 H new ATOM 0 HA3 GLY A 98 4.855 -0.979 -23.963 1.00 0.00 H new ATOM 1501 N ALA A 99 3.306 -1.379 -21.059 1.00 0.00 N ATOM 1502 CA ALA A 99 2.063 -1.103 -20.350 1.00 0.00 C ATOM 1503 C ALA A 99 0.852 -1.456 -21.206 1.00 0.00 C ATOM 1504 O ALA A 99 -0.118 -0.700 -21.266 1.00 0.00 O ATOM 1505 CB ALA A 99 2.008 0.359 -19.931 1.00 0.00 C ATOM 0 H ALA A 99 3.981 -1.929 -20.528 1.00 0.00 H new ATOM 0 HA ALA A 99 2.037 -1.727 -19.457 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.074 0.551 -19.402 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.849 0.581 -19.274 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.061 0.993 -20.816 1.00 0.00 H new ATOM 1511 N GLU A 100 0.916 -2.607 -21.867 1.00 0.00 N ATOM 1512 CA GLU A 100 -0.177 -3.058 -22.722 1.00 0.00 C ATOM 1513 C GLU A 100 -0.190 -4.580 -22.829 1.00 0.00 C ATOM 1514 O GLU A 100 -1.252 -5.201 -22.861 1.00 0.00 O ATOM 1515 CB GLU A 100 -0.052 -2.439 -24.115 1.00 0.00 C ATOM 1516 CG GLU A 100 -0.324 -0.944 -24.143 1.00 0.00 C ATOM 1517 CD GLU A 100 -0.264 -0.366 -25.544 1.00 0.00 C ATOM 1518 OE1 GLU A 100 0.858 -0.199 -26.068 1.00 0.00 O ATOM 1519 OE2 GLU A 100 -1.336 -0.081 -26.115 1.00 0.00 O ATOM 0 H GLU A 100 1.712 -3.244 -21.828 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.115 -2.734 -22.271 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.952 -2.624 -24.497 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.747 -2.939 -24.789 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.308 -0.749 -23.716 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.404 -0.434 -23.512 1.00 0.00 H new ATOM 1526 N GLU A 101 0.998 -5.175 -22.885 1.00 0.00 N ATOM 1527 CA GLU A 101 1.122 -6.624 -22.990 1.00 0.00 C ATOM 1528 C GLU A 101 0.897 -7.289 -21.636 1.00 0.00 C ATOM 1529 O GLU A 101 0.039 -8.161 -21.495 1.00 0.00 O ATOM 1530 CB GLU A 101 2.502 -7.001 -23.533 1.00 0.00 C ATOM 1531 CG GLU A 101 2.901 -6.224 -24.776 1.00 0.00 C ATOM 1532 CD GLU A 101 2.072 -6.598 -25.989 1.00 0.00 C ATOM 1533 OE1 GLU A 101 1.388 -7.642 -25.941 1.00 0.00 O ATOM 1534 OE2 GLU A 101 2.106 -5.848 -26.987 1.00 0.00 O ATOM 0 H GLU A 101 1.887 -4.676 -22.859 1.00 0.00 H new ATOM 0 HA GLU A 101 0.358 -6.980 -23.681 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.247 -6.833 -22.755 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.514 -8.067 -23.762 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.794 -5.157 -24.583 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.954 -6.405 -24.991 1.00 0.00 H new ATOM 1541 N PHE A 102 1.673 -6.871 -20.641 1.00 0.00 N ATOM 1542 CA PHE A 102 1.560 -7.427 -19.298 1.00 0.00 C ATOM 1543 C PHE A 102 0.115 -7.382 -18.811 1.00 0.00 C ATOM 1544 O PHE A 102 -0.349 -8.296 -18.130 1.00 0.00 O ATOM 1545 CB PHE A 102 2.461 -6.659 -18.328 1.00 0.00 C ATOM 1546 CG PHE A 102 2.957 -7.494 -17.182 1.00 0.00 C ATOM 1547 CD1 PHE A 102 2.072 -8.006 -16.247 1.00 0.00 C ATOM 1548 CD2 PHE A 102 4.308 -7.767 -17.040 1.00 0.00 C ATOM 1549 CE1 PHE A 102 2.526 -8.774 -15.191 1.00 0.00 C ATOM 1550 CE2 PHE A 102 4.767 -8.535 -15.987 1.00 0.00 C ATOM 1551 CZ PHE A 102 3.875 -9.040 -15.062 1.00 0.00 C ATOM 0 H PHE A 102 2.387 -6.149 -20.740 1.00 0.00 H new ATOM 0 HA PHE A 102 1.881 -8.468 -19.334 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.316 -6.263 -18.875 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.911 -5.804 -17.933 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.016 -7.803 -16.344 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.010 -7.375 -17.761 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.826 -9.166 -14.468 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.823 -8.740 -15.888 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.232 -9.642 -14.239 1.00 0.00 H new ATOM 1561 N GLN A 103 -0.590 -6.313 -19.165 1.00 0.00 N ATOM 1562 CA GLN A 103 -1.982 -6.148 -18.762 1.00 0.00 C ATOM 1563 C GLN A 103 -2.862 -7.222 -19.394 1.00 0.00 C ATOM 1564 O GLN A 103 -3.784 -7.733 -18.761 1.00 0.00 O ATOM 1565 CB GLN A 103 -2.488 -4.760 -19.157 1.00 0.00 C ATOM 1566 CG GLN A 103 -2.035 -3.656 -18.215 1.00 0.00 C ATOM 1567 CD GLN A 103 -0.526 -3.569 -18.101 1.00 0.00 C ATOM 1568 OE1 GLN A 103 0.025 -3.545 -17.000 1.00 0.00 O ATOM 1569 NE2 GLN A 103 0.152 -3.520 -19.241 1.00 0.00 N ATOM 0 H GLN A 103 -0.221 -5.548 -19.730 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.035 -6.251 -17.678 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.143 -4.530 -20.165 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.577 -4.775 -19.188 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -2.425 -2.701 -18.567 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.461 -3.829 -17.227 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.345 -3.542 -20.131 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.170 -3.460 -19.227 1.00 0.00 H new ATOM 1578 N GLU A 104 -2.569 -7.558 -20.647 1.00 0.00 N ATOM 1579 CA GLU A 104 -3.335 -8.570 -21.364 1.00 0.00 C ATOM 1580 C GLU A 104 -2.900 -9.974 -20.954 1.00 0.00 C ATOM 1581 O GLU A 104 -3.628 -10.945 -21.156 1.00 0.00 O ATOM 1582 CB GLU A 104 -3.168 -8.393 -22.874 1.00 0.00 C ATOM 1583 CG GLU A 104 -4.044 -7.298 -23.460 1.00 0.00 C ATOM 1584 CD GLU A 104 -4.084 -7.330 -24.975 1.00 0.00 C ATOM 1585 OE1 GLU A 104 -3.769 -8.390 -25.555 1.00 0.00 O ATOM 1586 OE2 GLU A 104 -4.431 -6.295 -25.581 1.00 0.00 O ATOM 0 H GLU A 104 -1.808 -7.144 -21.185 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.386 -8.444 -21.105 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.124 -8.167 -23.091 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.400 -9.336 -23.369 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.057 -7.402 -23.071 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.674 -6.327 -23.131 1.00 0.00 H new ATOM 1593 N MET A 105 -1.706 -10.072 -20.378 1.00 0.00 N ATOM 1594 CA MET A 105 -1.173 -11.357 -19.939 1.00 0.00 C ATOM 1595 C MET A 105 -1.893 -11.844 -18.685 1.00 0.00 C ATOM 1596 O MET A 105 -1.955 -13.045 -18.420 1.00 0.00 O ATOM 1597 CB MET A 105 0.328 -11.244 -19.668 1.00 0.00 C ATOM 1598 CG MET A 105 0.915 -12.466 -18.980 1.00 0.00 C ATOM 1599 SD MET A 105 2.608 -12.809 -19.497 1.00 0.00 S ATOM 1600 CE MET A 105 3.443 -11.334 -18.917 1.00 0.00 C ATOM 0 H MET A 105 -1.090 -9.278 -20.204 1.00 0.00 H new ATOM 0 HA MET A 105 -1.338 -12.082 -20.736 1.00 0.00 H new ATOM 0 HB2 MET A 105 0.848 -11.084 -20.612 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.512 -10.365 -19.050 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.892 -12.316 -17.901 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.291 -13.334 -19.195 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.511 -11.419 -19.115 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.046 -10.463 -19.437 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.281 -11.222 -17.845 1.00 0.00 H new ATOM 1610 N VAL A 106 -2.435 -10.905 -17.916 1.00 0.00 N ATOM 1611 CA VAL A 106 -3.150 -11.239 -16.690 1.00 0.00 C ATOM 1612 C VAL A 106 -4.616 -11.545 -16.976 1.00 0.00 C ATOM 1613 O VAL A 106 -5.212 -12.418 -16.346 1.00 0.00 O ATOM 1614 CB VAL A 106 -3.067 -10.095 -15.662 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -3.758 -10.491 -14.366 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -1.617 -9.712 -15.408 1.00 0.00 C ATOM 0 H VAL A 106 -2.392 -9.907 -18.121 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.670 -12.125 -16.275 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.582 -9.225 -16.069 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.689 -9.671 -13.652 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.807 -10.712 -14.565 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.274 -11.375 -13.951 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.577 -8.902 -14.679 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -1.075 -10.575 -15.022 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.159 -9.384 -16.341 1.00 0.00 H new ATOM 1626 N GLN A 107 -5.191 -10.820 -17.931 1.00 0.00 N ATOM 1627 CA GLN A 107 -6.588 -11.015 -18.300 1.00 0.00 C ATOM 1628 C GLN A 107 -6.829 -12.439 -18.790 1.00 0.00 C ATOM 1629 O GLN A 107 -7.915 -12.991 -18.616 1.00 0.00 O ATOM 1630 CB GLN A 107 -6.996 -10.015 -19.383 1.00 0.00 C ATOM 1631 CG GLN A 107 -7.036 -8.575 -18.897 1.00 0.00 C ATOM 1632 CD GLN A 107 -7.763 -8.425 -17.576 1.00 0.00 C ATOM 1633 OE1 GLN A 107 -8.967 -8.165 -17.542 1.00 0.00 O ATOM 1634 NE2 GLN A 107 -7.036 -8.588 -16.477 1.00 0.00 N ATOM 0 H GLN A 107 -4.711 -10.093 -18.462 1.00 0.00 H new ATOM 0 HA GLN A 107 -7.198 -10.848 -17.412 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -6.297 -10.089 -20.216 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -7.979 -10.288 -19.766 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -6.017 -8.203 -18.791 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.525 -7.955 -19.649 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -6.042 -8.803 -16.551 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -7.472 -8.499 -15.559 1.00 0.00 H new ATOM 1643 N SER A 108 -5.808 -13.028 -19.404 1.00 0.00 N ATOM 1644 CA SER A 108 -5.909 -14.387 -19.924 1.00 0.00 C ATOM 1645 C SER A 108 -4.951 -15.322 -19.191 1.00 0.00 C ATOM 1646 O SER A 108 -3.862 -15.618 -19.681 1.00 0.00 O ATOM 1647 CB SER A 108 -5.611 -14.406 -21.424 1.00 0.00 C ATOM 1648 OG SER A 108 -5.642 -15.728 -21.934 1.00 0.00 O ATOM 0 H SER A 108 -4.901 -12.586 -19.554 1.00 0.00 H new ATOM 0 HA SER A 108 -6.928 -14.737 -19.760 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.342 -13.793 -21.951 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.632 -13.964 -21.609 1.00 0.00 H new ATOM 0 HG SER A 108 -5.450 -15.713 -22.895 1.00 0.00 H new