USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 869 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 34 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 36 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Set 2.1: A 1 MET N :NH3+ -175:sc= 1.06 (180deg=1.04) USER MOD Set 2.2: A 32 THR OG1 : rot -66:sc= 1.39 USER MOD Set 3.1: A 8 SER OG : rot -139:sc= 2.74 USER MOD Set 3.2: A 15 SER OG : rot 172:sc= 0.82 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= 1.3 (180deg=1.18) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00242 USER MOD Single : A 16 MET CE :methyl 155:sc= -0.0633 (180deg=-0.563) USER MOD Single : A 18 SER OG : rot -153:sc= -0.0844 USER MOD Single : A 26 TYR OH : rot -179:sc= 1.22 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0686 USER MOD Single : A 42 ASN : amide:sc= -5.3! C(o=-5.3!,f=-4.6!) USER MOD Single : A 43 THR OG1 : rot 40:sc= 0.193 USER MOD Single : A 48 HIS : no HD1:sc= -0.0256 X(o=-0.026,f=-0.37) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.185) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 160:sc= -0.0205 (180deg=-0.24) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 145:sc= 1.2 USER MOD Single : A 70 ASN : amide:sc= -0.889 X(o=-0.89,f=-1.1) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 78 THR OG1 : rot -150:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -122:sc= 0.854 (180deg=-0.687) USER MOD Single : A 85 LYS NZ :NH3+ 150:sc= 0.201 (180deg=-1.08!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 1.13 K(o=1.1,f=-0.076) USER MOD Single : A 102 SER OG : rot -74:sc= 0.432 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.521 -2.804 11.165 1.00 0.00 N ATOM 2 CA MET A 1 11.435 -3.740 11.497 1.00 0.00 C ATOM 3 C MET A 1 10.149 -3.491 10.710 1.00 0.00 C ATOM 4 O MET A 1 9.235 -4.313 10.814 1.00 0.00 O ATOM 5 CB MET A 1 11.154 -3.819 13.004 1.00 0.00 C ATOM 6 CG MET A 1 10.471 -2.609 13.644 1.00 0.00 C ATOM 7 SD MET A 1 11.528 -1.147 13.782 1.00 0.00 S ATOM 8 CE MET A 1 10.506 -0.159 14.900 1.00 0.00 C ATOM 0 H1 MET A 1 13.386 -3.082 11.671 1.00 0.00 H new ATOM 0 H2 MET A 1 12.697 -2.826 10.140 1.00 0.00 H new ATOM 0 H3 MET A 1 12.248 -1.841 11.449 1.00 0.00 H new ATOM 0 HA MET A 1 11.809 -4.714 11.183 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.533 -4.696 13.188 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.101 -3.985 13.518 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.589 -2.352 13.058 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.123 -2.887 14.639 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.001 0.791 15.102 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.537 0.029 14.437 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.362 -0.700 15.835 1.00 0.00 H new ATOM 18 N ALA A 2 10.010 -2.398 9.943 1.00 0.00 N ATOM 19 CA ALA A 2 8.742 -2.114 9.290 1.00 0.00 C ATOM 20 C ALA A 2 8.613 -2.761 7.916 1.00 0.00 C ATOM 21 O ALA A 2 9.507 -2.586 7.075 1.00 0.00 O ATOM 22 CB ALA A 2 8.507 -0.611 9.194 1.00 0.00 C ATOM 0 H ALA A 2 10.748 -1.716 9.768 1.00 0.00 H new ATOM 0 HA ALA A 2 7.971 -2.560 9.918 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.553 -0.423 8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.490 -0.181 10.195 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.310 -0.153 8.616 1.00 0.00 H new ATOM 28 N ARG A 3 7.474 -3.402 7.628 1.00 0.00 N ATOM 29 CA ARG A 3 7.164 -3.873 6.284 1.00 0.00 C ATOM 30 C ARG A 3 6.134 -2.969 5.646 1.00 0.00 C ATOM 31 O ARG A 3 4.992 -2.906 6.089 1.00 0.00 O ATOM 32 CB ARG A 3 6.751 -5.345 6.301 1.00 0.00 C ATOM 33 CG ARG A 3 8.024 -6.180 6.088 1.00 0.00 C ATOM 34 CD ARG A 3 8.039 -7.576 6.700 1.00 0.00 C ATOM 35 NE ARG A 3 7.480 -8.625 5.837 1.00 0.00 N ATOM 36 CZ ARG A 3 7.789 -9.925 5.939 1.00 0.00 C ATOM 37 NH1 ARG A 3 8.573 -10.377 6.912 1.00 0.00 N ATOM 38 NH2 ARG A 3 7.315 -10.794 5.058 1.00 0.00 N ATOM 0 H ARG A 3 6.750 -3.605 8.318 1.00 0.00 H new ATOM 0 HA ARG A 3 8.059 -3.823 5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.278 -5.600 7.249 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.022 -5.549 5.516 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.191 -6.277 5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.868 -5.622 6.493 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.067 -7.838 6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.479 -7.555 7.635 1.00 0.00 H new ATOM 0 HE ARG A 3 6.815 -8.347 5.115 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.954 -9.730 7.602 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.794 -11.371 6.969 1.00 0.00 H new ATOM 0 HH21 ARG A 3 6.713 -10.474 4.299 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.552 -11.783 5.139 1.00 0.00 H new ATOM 52 N VAL A 4 6.563 -2.237 4.626 1.00 0.00 N ATOM 53 CA VAL A 4 5.762 -1.284 3.886 1.00 0.00 C ATOM 54 C VAL A 4 5.286 -2.010 2.643 1.00 0.00 C ATOM 55 O VAL A 4 6.092 -2.660 1.976 1.00 0.00 O ATOM 56 CB VAL A 4 6.603 0.011 3.682 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.441 0.069 2.432 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.787 1.300 3.750 1.00 0.00 C ATOM 0 H VAL A 4 7.521 -2.298 4.281 1.00 0.00 H new ATOM 0 HA VAL A 4 4.864 -0.932 4.393 1.00 0.00 H new ATOM 0 HB VAL A 4 7.278 -0.056 4.535 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.981 1.016 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.154 -0.755 2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.796 -0.011 1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.445 2.156 3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.023 1.288 2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.310 1.378 4.727 1.00 0.00 H new ATOM 68 N ALA A 5 3.980 -1.973 2.360 1.00 0.00 N ATOM 69 CA ALA A 5 3.481 -2.577 1.131 1.00 0.00 C ATOM 70 C ALA A 5 3.256 -1.414 0.176 1.00 0.00 C ATOM 71 O ALA A 5 2.627 -0.426 0.574 1.00 0.00 O ATOM 72 CB ALA A 5 2.175 -3.327 1.380 1.00 0.00 C ATOM 0 H ALA A 5 3.269 -1.542 2.951 1.00 0.00 H new ATOM 0 HA ALA A 5 4.183 -3.307 0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.825 -3.768 0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.343 -4.116 2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.424 -2.634 1.758 1.00 0.00 H new ATOM 78 N ILE A 6 3.704 -1.500 -1.073 1.00 0.00 N ATOM 79 CA ILE A 6 3.501 -0.441 -2.054 1.00 0.00 C ATOM 80 C ILE A 6 2.567 -0.989 -3.146 1.00 0.00 C ATOM 81 O ILE A 6 2.857 -2.039 -3.722 1.00 0.00 O ATOM 82 CB ILE A 6 4.823 0.143 -2.573 1.00 0.00 C ATOM 83 CG1 ILE A 6 5.779 0.546 -1.434 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.546 1.359 -3.470 1.00 0.00 C ATOM 85 CD1 ILE A 6 6.736 -0.587 -1.032 1.00 0.00 C ATOM 0 H ILE A 6 4.217 -2.305 -1.432 1.00 0.00 H new ATOM 0 HA ILE A 6 3.019 0.421 -1.594 1.00 0.00 H new ATOM 0 HB ILE A 6 5.314 -0.642 -3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.361 1.414 -1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.195 0.848 -0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.490 1.766 -3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.933 1.054 -4.318 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.019 2.121 -2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.385 -0.246 -0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.159 -1.448 -0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.343 -0.872 -1.891 1.00 0.00 H new ATOM 97 N PRO A 7 1.407 -0.340 -3.365 1.00 0.00 N ATOM 98 CA PRO A 7 0.370 -0.738 -4.295 1.00 0.00 C ATOM 99 C PRO A 7 0.831 -0.453 -5.728 1.00 0.00 C ATOM 100 O PRO A 7 0.673 0.657 -6.221 1.00 0.00 O ATOM 101 CB PRO A 7 -0.852 0.093 -3.879 1.00 0.00 C ATOM 102 CG PRO A 7 -0.314 1.338 -3.212 1.00 0.00 C ATOM 103 CD PRO A 7 1.037 0.908 -2.731 1.00 0.00 C ATOM 0 HA PRO A 7 0.136 -1.802 -4.271 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.461 0.349 -4.746 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.490 -0.469 -3.196 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.247 2.172 -3.910 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.951 1.662 -2.389 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.776 1.676 -2.959 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.026 0.787 -1.648 1.00 0.00 H new ATOM 111 N SER A 8 1.423 -1.442 -6.373 1.00 0.00 N ATOM 112 CA SER A 8 1.887 -1.481 -7.747 1.00 0.00 C ATOM 113 C SER A 8 0.749 -1.939 -8.685 1.00 0.00 C ATOM 114 O SER A 8 -0.287 -2.452 -8.235 1.00 0.00 O ATOM 115 CB SER A 8 3.046 -2.487 -7.713 1.00 0.00 C ATOM 116 OG SER A 8 3.508 -2.878 -8.984 1.00 0.00 O ATOM 0 H SER A 8 1.609 -2.326 -5.899 1.00 0.00 H new ATOM 0 HA SER A 8 2.204 -0.510 -8.127 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.875 -2.051 -7.156 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.726 -3.374 -7.166 1.00 0.00 H new ATOM 0 HG SER A 8 3.694 -3.840 -8.983 1.00 0.00 H new ATOM 122 N VAL A 9 0.973 -1.846 -10.000 1.00 0.00 N ATOM 123 CA VAL A 9 0.183 -2.519 -11.037 1.00 0.00 C ATOM 124 C VAL A 9 1.121 -3.368 -11.932 1.00 0.00 C ATOM 125 O VAL A 9 0.877 -3.522 -13.129 1.00 0.00 O ATOM 126 CB VAL A 9 -0.630 -1.456 -11.829 1.00 0.00 C ATOM 127 CG1 VAL A 9 -1.502 -0.605 -10.896 1.00 0.00 C ATOM 128 CG2 VAL A 9 0.199 -0.454 -12.651 1.00 0.00 C ATOM 0 H VAL A 9 1.732 -1.283 -10.384 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.537 -3.208 -10.596 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.211 -2.071 -12.516 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.056 0.127 -11.483 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.203 -1.249 -10.365 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.867 -0.088 -10.176 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.470 0.239 -13.161 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.861 0.102 -11.987 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.794 -0.993 -13.388 1.00 0.00 H new ATOM 138 N GLY A 10 2.146 -4.014 -11.357 1.00 0.00 N ATOM 139 CA GLY A 10 3.007 -4.981 -12.040 1.00 0.00 C ATOM 140 C GLY A 10 4.078 -5.574 -11.116 1.00 0.00 C ATOM 141 O GLY A 10 4.066 -5.321 -9.905 1.00 0.00 O ATOM 0 H GLY A 10 2.403 -3.872 -10.380 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.394 -5.787 -12.443 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.492 -4.495 -12.887 1.00 0.00 H new ATOM 145 N LYS A 11 4.988 -6.389 -11.657 1.00 0.00 N ATOM 146 CA LYS A 11 5.847 -7.310 -10.905 1.00 0.00 C ATOM 147 C LYS A 11 7.317 -6.873 -10.935 1.00 0.00 C ATOM 148 O LYS A 11 8.224 -7.708 -11.020 1.00 0.00 O ATOM 149 CB LYS A 11 5.637 -8.754 -11.423 1.00 0.00 C ATOM 150 CG LYS A 11 4.281 -9.344 -11.085 1.00 0.00 C ATOM 151 CD LYS A 11 4.189 -10.878 -11.197 1.00 0.00 C ATOM 152 CE LYS A 11 3.776 -11.313 -12.605 1.00 0.00 C ATOM 153 NZ LYS A 11 2.954 -12.543 -12.592 1.00 0.00 N ATOM 0 H LYS A 11 5.153 -6.428 -12.663 1.00 0.00 H new ATOM 0 HA LYS A 11 5.559 -7.286 -9.854 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.765 -8.762 -12.505 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.414 -9.395 -11.006 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.019 -9.053 -10.068 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.535 -8.902 -11.745 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.153 -11.321 -10.946 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.467 -11.254 -10.472 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.216 -10.509 -13.082 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.668 -11.481 -13.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.896 -12.932 -13.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.390 -13.245 -11.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.997 -12.318 -12.252 1.00 0.00 H new ATOM 167 N ASP A 12 7.581 -5.573 -10.834 1.00 0.00 N ATOM 168 CA ASP A 12 8.925 -4.999 -10.867 1.00 0.00 C ATOM 169 C ASP A 12 8.981 -3.821 -9.895 1.00 0.00 C ATOM 170 O ASP A 12 7.954 -3.223 -9.590 1.00 0.00 O ATOM 171 CB ASP A 12 9.259 -4.561 -12.302 1.00 0.00 C ATOM 172 CG ASP A 12 9.783 -5.706 -13.176 1.00 0.00 C ATOM 173 OD1 ASP A 12 10.995 -6.011 -13.072 1.00 0.00 O ATOM 174 OD2 ASP A 12 9.009 -6.264 -13.991 1.00 0.00 O ATOM 0 H ASP A 12 6.849 -4.871 -10.724 1.00 0.00 H new ATOM 0 HA ASP A 12 9.666 -5.737 -10.561 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.366 -4.140 -12.764 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.005 -3.767 -12.268 1.00 0.00 H new ATOM 179 N LEU A 13 10.173 -3.444 -9.424 1.00 0.00 N ATOM 180 CA LEU A 13 10.356 -2.325 -8.483 1.00 0.00 C ATOM 181 C LEU A 13 10.301 -0.978 -9.212 1.00 0.00 C ATOM 182 O LEU A 13 10.132 0.064 -8.586 1.00 0.00 O ATOM 183 CB LEU A 13 11.696 -2.513 -7.753 1.00 0.00 C ATOM 184 CG LEU A 13 11.924 -1.913 -6.351 1.00 0.00 C ATOM 185 CD1 LEU A 13 11.847 -0.390 -6.289 1.00 0.00 C ATOM 186 CD2 LEU A 13 10.996 -2.531 -5.308 1.00 0.00 C ATOM 0 H LEU A 13 11.045 -3.906 -9.683 1.00 0.00 H new ATOM 0 HA LEU A 13 9.545 -2.322 -7.754 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.869 -3.586 -7.674 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.474 -2.112 -8.403 1.00 0.00 H new ATOM 0 HG LEU A 13 12.955 -2.174 -6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.020 -0.058 -5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.606 0.040 -6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.860 -0.062 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.190 -2.080 -4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.959 -2.351 -5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.175 -3.605 -5.252 1.00 0.00 H new ATOM 198 N SER A 14 10.386 -0.959 -10.540 1.00 0.00 N ATOM 199 CA SER A 14 10.065 0.247 -11.282 1.00 0.00 C ATOM 200 C SER A 14 8.707 0.125 -11.966 1.00 0.00 C ATOM 201 O SER A 14 8.497 0.674 -13.052 1.00 0.00 O ATOM 202 CB SER A 14 11.177 0.496 -12.293 1.00 0.00 C ATOM 203 OG SER A 14 11.648 -0.666 -12.964 1.00 0.00 O ATOM 0 H SER A 14 10.670 -1.754 -11.113 1.00 0.00 H new ATOM 0 HA SER A 14 9.996 1.095 -10.600 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.819 1.207 -13.037 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.016 0.967 -11.780 1.00 0.00 H new ATOM 0 HG SER A 14 12.357 -0.416 -13.593 1.00 0.00 H new ATOM 209 N SER A 15 7.737 -0.511 -11.320 1.00 0.00 N ATOM 210 CA SER A 15 6.402 -0.560 -11.877 1.00 0.00 C ATOM 211 C SER A 15 5.663 0.724 -11.525 1.00 0.00 C ATOM 212 O SER A 15 6.119 1.446 -10.650 1.00 0.00 O ATOM 213 CB SER A 15 5.696 -1.745 -11.234 1.00 0.00 C ATOM 214 OG SER A 15 5.574 -1.508 -9.857 1.00 0.00 O ATOM 0 H SER A 15 7.851 -0.990 -10.427 1.00 0.00 H new ATOM 0 HA SER A 15 6.430 -0.663 -12.962 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.712 -1.885 -11.681 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.260 -2.661 -11.410 1.00 0.00 H new ATOM 0 HG SER A 15 5.014 -2.203 -9.454 1.00 0.00 H new ATOM 220 N MET A 16 4.486 1.003 -12.073 1.00 0.00 N ATOM 221 CA MET A 16 3.738 2.191 -11.666 1.00 0.00 C ATOM 222 C MET A 16 3.040 1.912 -10.330 1.00 0.00 C ATOM 223 O MET A 16 2.416 0.859 -10.157 1.00 0.00 O ATOM 224 CB MET A 16 2.691 2.482 -12.749 1.00 0.00 C ATOM 225 CG MET A 16 3.225 3.421 -13.838 1.00 0.00 C ATOM 226 SD MET A 16 2.433 5.053 -13.883 1.00 0.00 S ATOM 227 CE MET A 16 2.569 5.565 -12.147 1.00 0.00 C ATOM 0 H MET A 16 4.033 0.435 -12.789 1.00 0.00 H new ATOM 0 HA MET A 16 4.403 3.046 -11.546 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.373 1.544 -13.205 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.809 2.928 -12.288 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.296 3.556 -13.690 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.095 2.942 -14.808 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.552 6.653 -12.086 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.732 5.157 -11.581 1.00 0.00 H new ATOM 0 HE3 MET A 16 3.505 5.193 -11.730 1.00 0.00 H new ATOM 237 N VAL A 17 3.130 2.855 -9.387 1.00 0.00 N ATOM 238 CA VAL A 17 2.337 2.838 -8.157 1.00 0.00 C ATOM 239 C VAL A 17 0.932 3.328 -8.518 1.00 0.00 C ATOM 240 O VAL A 17 0.746 4.303 -9.246 1.00 0.00 O ATOM 241 CB VAL A 17 3.028 3.633 -7.020 1.00 0.00 C ATOM 242 CG1 VAL A 17 2.314 3.621 -5.662 1.00 0.00 C ATOM 243 CG2 VAL A 17 4.388 3.017 -6.746 1.00 0.00 C ATOM 0 H VAL A 17 3.759 3.655 -9.457 1.00 0.00 H new ATOM 0 HA VAL A 17 2.253 1.831 -7.748 1.00 0.00 H new ATOM 0 HB VAL A 17 3.045 4.659 -7.388 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.887 4.208 -4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.319 4.051 -5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.229 2.595 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.883 3.569 -5.947 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.262 1.977 -6.445 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.996 3.062 -7.649 1.00 0.00 H new ATOM 253 N SER A 18 -0.058 2.583 -8.049 1.00 0.00 N ATOM 254 CA SER A 18 -1.481 2.736 -8.269 1.00 0.00 C ATOM 255 C SER A 18 -1.996 3.831 -7.344 1.00 0.00 C ATOM 256 O SER A 18 -1.474 4.021 -6.248 1.00 0.00 O ATOM 257 CB SER A 18 -2.105 1.381 -7.915 1.00 0.00 C ATOM 258 OG SER A 18 -3.492 1.330 -8.182 1.00 0.00 O ATOM 0 H SER A 18 0.138 1.782 -7.449 1.00 0.00 H new ATOM 0 HA SER A 18 -1.727 3.016 -9.293 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.602 0.596 -8.480 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.935 1.173 -6.859 1.00 0.00 H new ATOM 0 HG SER A 18 -3.917 0.683 -7.581 1.00 0.00 H new ATOM 264 N ASP A 19 -3.069 4.523 -7.728 1.00 0.00 N ATOM 265 CA ASP A 19 -3.528 5.703 -6.988 1.00 0.00 C ATOM 266 C ASP A 19 -4.512 5.348 -5.860 1.00 0.00 C ATOM 267 O ASP A 19 -5.513 6.036 -5.625 1.00 0.00 O ATOM 268 CB ASP A 19 -4.285 6.586 -7.999 1.00 0.00 C ATOM 269 CG ASP A 19 -4.038 8.072 -7.777 1.00 0.00 C ATOM 270 OD1 ASP A 19 -3.906 8.521 -6.616 1.00 0.00 O ATOM 271 OD2 ASP A 19 -4.075 8.826 -8.779 1.00 0.00 O ATOM 0 H ASP A 19 -3.636 4.290 -8.543 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.664 6.191 -6.537 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.980 6.318 -9.010 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.353 6.384 -7.924 1.00 0.00 H new ATOM 276 N ARG A 20 -4.299 4.213 -5.190 1.00 0.00 N ATOM 277 CA ARG A 20 -5.405 3.502 -4.551 1.00 0.00 C ATOM 278 C ARG A 20 -4.901 2.219 -3.918 1.00 0.00 C ATOM 279 O ARG A 20 -4.687 1.260 -4.647 1.00 0.00 O ATOM 280 CB ARG A 20 -6.530 3.201 -5.583 1.00 0.00 C ATOM 281 CG ARG A 20 -6.176 3.000 -7.055 1.00 0.00 C ATOM 282 CD ARG A 20 -7.433 2.910 -7.933 1.00 0.00 C ATOM 283 NE ARG A 20 -7.377 3.895 -9.028 1.00 0.00 N ATOM 284 CZ ARG A 20 -6.394 3.970 -9.936 1.00 0.00 C ATOM 285 NH1 ARG A 20 -5.540 2.972 -10.139 1.00 0.00 N ATOM 286 NH2 ARG A 20 -6.257 5.092 -10.612 1.00 0.00 N ATOM 0 H ARG A 20 -3.386 3.773 -5.077 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.824 4.135 -3.769 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.047 2.302 -5.247 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.247 4.020 -5.530 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.552 3.826 -7.396 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.588 2.089 -7.167 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.523 1.905 -8.346 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.320 3.085 -7.325 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.141 4.567 -9.100 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.621 2.113 -9.595 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.804 3.065 -10.839 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.890 5.873 -10.438 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.518 5.180 -11.310 1.00 0.00 H new ATOM 300 N PHE A 21 -4.797 2.129 -2.585 1.00 0.00 N ATOM 301 CA PHE A 21 -4.392 0.896 -1.940 1.00 0.00 C ATOM 302 C PHE A 21 -5.324 -0.270 -2.290 1.00 0.00 C ATOM 303 O PHE A 21 -4.886 -1.278 -2.830 1.00 0.00 O ATOM 304 CB PHE A 21 -4.328 1.139 -0.428 1.00 0.00 C ATOM 305 CG PHE A 21 -4.152 -0.132 0.362 1.00 0.00 C ATOM 306 CD1 PHE A 21 -3.080 -0.983 0.052 1.00 0.00 C ATOM 307 CD2 PHE A 21 -5.085 -0.501 1.347 1.00 0.00 C ATOM 308 CE1 PHE A 21 -2.932 -2.204 0.717 1.00 0.00 C ATOM 309 CE2 PHE A 21 -4.912 -1.711 2.041 1.00 0.00 C ATOM 310 CZ PHE A 21 -3.835 -2.560 1.734 1.00 0.00 C ATOM 0 H PHE A 21 -4.989 2.899 -1.944 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.407 0.606 -2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.502 1.815 -0.208 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.242 1.638 -0.106 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.366 -0.693 -0.704 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.926 0.139 1.568 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.126 -2.872 0.450 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.611 -1.990 2.815 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.701 -3.483 2.278 1.00 0.00 H new ATOM 320 N ALA A 22 -6.614 -0.158 -1.956 1.00 0.00 N ATOM 321 CA ALA A 22 -7.512 -1.308 -2.003 1.00 0.00 C ATOM 322 C ALA A 22 -8.022 -1.633 -3.416 1.00 0.00 C ATOM 323 O ALA A 22 -8.812 -2.563 -3.561 1.00 0.00 O ATOM 324 CB ALA A 22 -8.670 -1.116 -1.017 1.00 0.00 C ATOM 0 H ALA A 22 -7.053 0.711 -1.653 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.927 -2.177 -1.701 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.333 -1.980 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.274 -1.014 -0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.227 -0.217 -1.281 1.00 0.00 H new ATOM 330 N ARG A 23 -7.606 -0.891 -4.448 1.00 0.00 N ATOM 331 CA ARG A 23 -7.682 -1.250 -5.840 1.00 0.00 C ATOM 332 C ARG A 23 -6.254 -1.076 -6.362 1.00 0.00 C ATOM 333 O ARG A 23 -5.986 -0.187 -7.169 1.00 0.00 O ATOM 334 CB ARG A 23 -8.646 -0.303 -6.558 1.00 0.00 C ATOM 335 CG ARG A 23 -10.128 -0.703 -6.528 1.00 0.00 C ATOM 336 CD ARG A 23 -10.973 -0.001 -7.616 1.00 0.00 C ATOM 337 NE ARG A 23 -11.468 -0.917 -8.669 1.00 0.00 N ATOM 338 CZ ARG A 23 -10.805 -1.357 -9.750 1.00 0.00 C ATOM 339 NH1 ARG A 23 -9.588 -0.916 -10.025 1.00 0.00 N ATOM 340 NH2 ARG A 23 -11.365 -2.253 -10.555 1.00 0.00 N ATOM 0 H ARG A 23 -7.185 0.028 -4.309 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.049 -2.263 -6.002 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.548 0.688 -6.115 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.334 -0.219 -7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.208 -1.783 -6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.541 -0.466 -5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.824 0.488 -7.143 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.373 0.782 -8.080 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.425 -1.253 -8.560 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.142 -0.233 -9.412 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.096 -1.259 -10.850 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.300 -2.607 -10.352 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.860 -2.587 -11.376 1.00 0.00 H new ATOM 354 N ALA A 24 -5.310 -1.855 -5.861 1.00 0.00 N ATOM 355 CA ALA A 24 -4.026 -2.000 -6.513 1.00 0.00 C ATOM 356 C ALA A 24 -3.846 -3.490 -6.755 1.00 0.00 C ATOM 357 O ALA A 24 -4.635 -4.274 -6.232 1.00 0.00 O ATOM 358 CB ALA A 24 -2.913 -1.374 -5.681 1.00 0.00 C ATOM 0 H ALA A 24 -5.412 -2.397 -5.003 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.982 -1.468 -7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.960 -1.498 -6.196 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.115 -0.312 -5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.866 -1.864 -4.708 1.00 0.00 H new ATOM 364 N GLU A 25 -2.856 -3.900 -7.535 1.00 0.00 N ATOM 365 CA GLU A 25 -2.825 -5.270 -8.039 1.00 0.00 C ATOM 366 C GLU A 25 -1.621 -6.041 -7.554 1.00 0.00 C ATOM 367 O GLU A 25 -1.692 -7.247 -7.335 1.00 0.00 O ATOM 368 CB GLU A 25 -2.899 -5.242 -9.563 1.00 0.00 C ATOM 369 CG GLU A 25 -4.374 -5.137 -9.943 1.00 0.00 C ATOM 370 CD GLU A 25 -4.633 -5.301 -11.438 1.00 0.00 C ATOM 371 OE1 GLU A 25 -3.672 -5.314 -12.240 1.00 0.00 O ATOM 372 OE2 GLU A 25 -5.820 -5.343 -11.827 1.00 0.00 O ATOM 0 H GLU A 25 -2.074 -3.316 -7.830 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.691 -5.801 -7.644 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.339 -4.395 -9.960 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.456 -6.144 -9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.935 -5.897 -9.400 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.755 -4.168 -9.621 1.00 0.00 H new ATOM 379 N TYR A 26 -0.519 -5.355 -7.322 1.00 0.00 N ATOM 380 CA TYR A 26 0.673 -5.953 -6.828 1.00 0.00 C ATOM 381 C TYR A 26 1.031 -5.137 -5.600 1.00 0.00 C ATOM 382 O TYR A 26 0.752 -3.944 -5.505 1.00 0.00 O ATOM 383 CB TYR A 26 1.675 -5.905 -7.984 1.00 0.00 C ATOM 384 CG TYR A 26 1.276 -6.777 -9.159 1.00 0.00 C ATOM 385 CD1 TYR A 26 0.441 -6.298 -10.188 1.00 0.00 C ATOM 386 CD2 TYR A 26 1.763 -8.084 -9.231 1.00 0.00 C ATOM 387 CE1 TYR A 26 0.123 -7.107 -11.295 1.00 0.00 C ATOM 388 CE2 TYR A 26 1.412 -8.909 -10.301 1.00 0.00 C ATOM 389 CZ TYR A 26 0.589 -8.439 -11.337 1.00 0.00 C ATOM 390 OH TYR A 26 0.289 -9.275 -12.367 1.00 0.00 O ATOM 0 H TYR A 26 -0.441 -4.350 -7.479 1.00 0.00 H new ATOM 0 HA TYR A 26 0.618 -6.997 -6.519 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.778 -4.874 -8.324 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.653 -6.221 -7.621 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.040 -5.297 -10.126 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.414 -8.458 -8.455 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.472 -6.712 -12.105 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.779 -9.924 -10.332 1.00 0.00 H new ATOM 0 HH TYR A 26 0.691 -10.154 -12.203 1.00 0.00 H new ATOM 400 N PHE A 27 1.589 -5.814 -4.620 1.00 0.00 N ATOM 401 CA PHE A 27 1.846 -5.348 -3.291 1.00 0.00 C ATOM 402 C PHE A 27 3.275 -5.749 -2.976 1.00 0.00 C ATOM 403 O PHE A 27 3.549 -6.847 -2.488 1.00 0.00 O ATOM 404 CB PHE A 27 0.787 -5.945 -2.378 1.00 0.00 C ATOM 405 CG PHE A 27 -0.567 -5.355 -2.698 1.00 0.00 C ATOM 406 CD1 PHE A 27 -1.408 -5.953 -3.652 1.00 0.00 C ATOM 407 CD2 PHE A 27 -0.907 -4.113 -2.150 1.00 0.00 C ATOM 408 CE1 PHE A 27 -2.595 -5.311 -4.034 1.00 0.00 C ATOM 409 CE2 PHE A 27 -2.074 -3.451 -2.553 1.00 0.00 C ATOM 410 CZ PHE A 27 -2.932 -4.065 -3.481 1.00 0.00 C ATOM 0 H PHE A 27 1.895 -6.778 -4.751 1.00 0.00 H new ATOM 0 HA PHE A 27 1.774 -4.268 -3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.759 -7.028 -2.500 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.041 -5.749 -1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.141 -6.904 -4.089 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.264 -3.661 -1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.251 -5.776 -4.755 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.312 -2.476 -2.154 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.852 -3.578 -3.769 1.00 0.00 H new ATOM 420 N ILE A 28 4.168 -4.836 -3.332 1.00 0.00 N ATOM 421 CA ILE A 28 5.613 -4.945 -3.233 1.00 0.00 C ATOM 422 C ILE A 28 5.893 -4.660 -1.767 1.00 0.00 C ATOM 423 O ILE A 28 5.669 -3.549 -1.297 1.00 0.00 O ATOM 424 CB ILE A 28 6.286 -3.908 -4.174 1.00 0.00 C ATOM 425 CG1 ILE A 28 5.700 -3.739 -5.592 1.00 0.00 C ATOM 426 CG2 ILE A 28 7.778 -4.221 -4.266 1.00 0.00 C ATOM 427 CD1 ILE A 28 5.196 -4.990 -6.294 1.00 0.00 C ATOM 0 H ILE A 28 3.880 -3.939 -3.724 1.00 0.00 H new ATOM 0 HA ILE A 28 6.007 -5.915 -3.536 1.00 0.00 H new ATOM 0 HB ILE A 28 6.079 -2.947 -3.704 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.874 -3.030 -5.533 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.466 -3.285 -6.221 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.261 -3.499 -4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.224 -4.162 -3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.915 -5.226 -4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.812 -4.725 -7.279 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.015 -5.701 -6.403 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.399 -5.442 -5.704 1.00 0.00 H new ATOM 439 N ILE A 29 6.247 -5.697 -1.015 1.00 0.00 N ATOM 440 CA ILE A 29 6.490 -5.596 0.417 1.00 0.00 C ATOM 441 C ILE A 29 7.974 -5.382 0.584 1.00 0.00 C ATOM 442 O ILE A 29 8.741 -6.303 0.332 1.00 0.00 O ATOM 443 CB ILE A 29 5.985 -6.840 1.166 1.00 0.00 C ATOM 444 CG1 ILE A 29 4.470 -6.932 0.946 1.00 0.00 C ATOM 445 CG2 ILE A 29 6.337 -6.765 2.662 1.00 0.00 C ATOM 446 CD1 ILE A 29 3.835 -8.169 1.553 1.00 0.00 C ATOM 0 H ILE A 29 6.374 -6.638 -1.387 1.00 0.00 H new ATOM 0 HA ILE A 29 5.938 -4.763 0.853 1.00 0.00 H new ATOM 0 HB ILE A 29 6.469 -7.738 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.997 -6.047 1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.267 -6.919 -0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.968 -7.657 3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.419 -6.703 2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.874 -5.881 3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.763 -8.162 1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.280 -9.061 1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.005 -8.174 2.630 1.00 0.00 H new ATOM 458 N TYR A 30 8.365 -4.170 0.959 1.00 0.00 N ATOM 459 CA TYR A 30 9.737 -3.856 1.317 1.00 0.00 C ATOM 460 C TYR A 30 9.905 -4.089 2.813 1.00 0.00 C ATOM 461 O TYR A 30 9.100 -3.604 3.612 1.00 0.00 O ATOM 462 CB TYR A 30 10.026 -2.392 0.991 1.00 0.00 C ATOM 463 CG TYR A 30 11.501 -2.052 1.051 1.00 0.00 C ATOM 464 CD1 TYR A 30 12.314 -2.194 -0.090 1.00 0.00 C ATOM 465 CD2 TYR A 30 12.070 -1.622 2.262 1.00 0.00 C ATOM 466 CE1 TYR A 30 13.688 -1.891 -0.024 1.00 0.00 C ATOM 467 CE2 TYR A 30 13.437 -1.302 2.332 1.00 0.00 C ATOM 468 CZ TYR A 30 14.255 -1.435 1.190 1.00 0.00 C ATOM 469 OH TYR A 30 15.584 -1.155 1.296 1.00 0.00 O ATOM 0 H TYR A 30 7.731 -3.373 1.023 1.00 0.00 H new ATOM 0 HA TYR A 30 10.428 -4.487 0.758 1.00 0.00 H new ATOM 0 HB2 TYR A 30 9.647 -2.166 -0.006 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.483 -1.756 1.690 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.883 -2.536 -1.019 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.453 -1.537 3.144 1.00 0.00 H new ATOM 0 HE1 TYR A 30 14.309 -2.007 -0.900 1.00 0.00 H new ATOM 0 HE2 TYR A 30 13.862 -0.954 3.262 1.00 0.00 H new ATOM 0 HH TYR A 30 15.783 -0.854 2.207 1.00 0.00 H new ATOM 479 N ASP A 31 10.950 -4.798 3.206 1.00 0.00 N ATOM 480 CA ASP A 31 11.307 -5.135 4.573 1.00 0.00 C ATOM 481 C ASP A 31 12.425 -4.219 5.098 1.00 0.00 C ATOM 482 O ASP A 31 13.573 -4.346 4.649 1.00 0.00 O ATOM 483 CB ASP A 31 11.747 -6.601 4.561 1.00 0.00 C ATOM 484 CG ASP A 31 11.755 -7.222 5.934 1.00 0.00 C ATOM 485 OD1 ASP A 31 12.161 -6.521 6.871 1.00 0.00 O ATOM 486 OD2 ASP A 31 11.524 -8.450 6.034 1.00 0.00 O ATOM 0 H ASP A 31 11.615 -5.179 2.533 1.00 0.00 H new ATOM 0 HA ASP A 31 10.459 -4.992 5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.079 -7.170 3.914 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.746 -6.672 4.130 1.00 0.00 H new ATOM 491 N THR A 32 12.138 -3.299 6.039 1.00 0.00 N ATOM 492 CA THR A 32 13.205 -2.459 6.615 1.00 0.00 C ATOM 493 C THR A 32 13.942 -3.225 7.732 1.00 0.00 C ATOM 494 O THR A 32 14.034 -2.767 8.872 1.00 0.00 O ATOM 495 CB THR A 32 12.717 -1.044 7.010 1.00 0.00 C ATOM 496 OG1 THR A 32 11.567 -1.052 7.834 1.00 0.00 O ATOM 497 CG2 THR A 32 12.391 -0.174 5.788 1.00 0.00 C ATOM 0 H THR A 32 11.204 -3.121 6.408 1.00 0.00 H new ATOM 0 HA THR A 32 13.944 -2.259 5.839 1.00 0.00 H new ATOM 0 HB THR A 32 13.557 -0.626 7.565 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.804 -1.399 7.327 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.053 0.808 6.120 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.284 -0.062 5.173 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.604 -0.649 5.202 1.00 0.00 H new ATOM 505 N GLU A 33 14.431 -4.423 7.410 1.00 0.00 N ATOM 506 CA GLU A 33 15.391 -5.184 8.195 1.00 0.00 C ATOM 507 C GLU A 33 16.412 -5.891 7.340 1.00 0.00 C ATOM 508 O GLU A 33 17.469 -6.229 7.876 1.00 0.00 O ATOM 509 CB GLU A 33 14.729 -6.246 9.083 1.00 0.00 C ATOM 510 CG GLU A 33 14.590 -5.728 10.511 1.00 0.00 C ATOM 511 CD GLU A 33 14.307 -6.833 11.527 1.00 0.00 C ATOM 512 OE1 GLU A 33 15.148 -7.757 11.666 1.00 0.00 O ATOM 513 OE2 GLU A 33 13.259 -6.772 12.213 1.00 0.00 O ATOM 0 H GLU A 33 14.153 -4.907 6.556 1.00 0.00 H new ATOM 0 HA GLU A 33 15.878 -4.433 8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 33 13.747 -6.503 8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 33 15.325 -7.159 9.076 1.00 0.00 H new ATOM 0 HG2 GLU A 33 15.506 -5.210 10.793 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.785 -4.994 10.548 1.00 0.00 H new ATOM 520 N SER A 34 16.149 -6.124 6.055 1.00 0.00 N ATOM 521 CA SER A 34 17.272 -6.431 5.194 1.00 0.00 C ATOM 522 C SER A 34 17.067 -6.001 3.749 1.00 0.00 C ATOM 523 O SER A 34 17.696 -6.555 2.853 1.00 0.00 O ATOM 524 CB SER A 34 17.456 -7.956 5.286 1.00 0.00 C ATOM 525 OG SER A 34 16.289 -8.709 4.968 1.00 0.00 O ATOM 0 H SER A 34 15.229 -6.107 5.615 1.00 0.00 H new ATOM 0 HA SER A 34 18.152 -5.878 5.523 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.261 -8.254 4.614 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.774 -8.211 6.297 1.00 0.00 H new ATOM 0 HG SER A 34 16.485 -9.666 5.047 1.00 0.00 H new ATOM 531 N GLY A 35 16.375 -4.873 3.534 1.00 0.00 N ATOM 532 CA GLY A 35 16.174 -4.295 2.208 1.00 0.00 C ATOM 533 C GLY A 35 15.553 -5.262 1.195 1.00 0.00 C ATOM 534 O GLY A 35 15.523 -4.954 -0.001 1.00 0.00 O ATOM 0 H GLY A 35 15.938 -4.337 4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.533 -3.418 2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.134 -3.950 1.824 1.00 0.00 H new ATOM 538 N ASN A 36 15.083 -6.420 1.669 1.00 0.00 N ATOM 539 CA ASN A 36 14.392 -7.428 0.898 1.00 0.00 C ATOM 540 C ASN A 36 13.114 -6.802 0.387 1.00 0.00 C ATOM 541 O ASN A 36 12.516 -5.930 1.027 1.00 0.00 O ATOM 542 CB ASN A 36 14.053 -8.655 1.768 1.00 0.00 C ATOM 543 CG ASN A 36 15.150 -9.708 1.813 1.00 0.00 C ATOM 544 OD1 ASN A 36 16.327 -9.409 1.671 1.00 0.00 O ATOM 545 ND2 ASN A 36 14.796 -10.966 1.991 1.00 0.00 N ATOM 0 H ASN A 36 15.185 -6.681 2.650 1.00 0.00 H new ATOM 0 HA ASN A 36 15.025 -7.769 0.079 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.844 -8.320 2.784 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.139 -9.114 1.390 1.00 0.00 H new ATOM 0 HD21 ASN A 36 15.506 -11.698 2.011 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.812 -11.207 2.109 1.00 0.00 H new ATOM 552 N VAL A 37 12.665 -7.337 -0.736 1.00 0.00 N ATOM 553 CA VAL A 37 11.388 -6.992 -1.313 1.00 0.00 C ATOM 554 C VAL A 37 10.701 -8.277 -1.747 1.00 0.00 C ATOM 555 O VAL A 37 11.359 -9.302 -1.945 1.00 0.00 O ATOM 556 CB VAL A 37 11.505 -5.979 -2.472 1.00 0.00 C ATOM 557 CG1 VAL A 37 10.289 -5.052 -2.380 1.00 0.00 C ATOM 558 CG2 VAL A 37 12.768 -5.102 -2.475 1.00 0.00 C ATOM 0 H VAL A 37 13.186 -8.029 -1.274 1.00 0.00 H new ATOM 0 HA VAL A 37 10.785 -6.485 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 37 11.560 -6.567 -3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.330 -4.317 -3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.376 -5.640 -2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.294 -4.539 -1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.742 -4.430 -3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.807 -4.516 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.652 -5.737 -2.538 1.00 0.00 H new ATOM 568 N GLU A 38 9.388 -8.228 -1.933 1.00 0.00 N ATOM 569 CA GLU A 38 8.613 -9.375 -2.350 1.00 0.00 C ATOM 570 C GLU A 38 7.416 -8.903 -3.160 1.00 0.00 C ATOM 571 O GLU A 38 6.728 -7.989 -2.704 1.00 0.00 O ATOM 572 CB GLU A 38 8.161 -10.110 -1.083 1.00 0.00 C ATOM 573 CG GLU A 38 7.159 -11.225 -1.371 1.00 0.00 C ATOM 574 CD GLU A 38 7.778 -12.456 -2.053 1.00 0.00 C ATOM 575 OE1 GLU A 38 8.906 -12.375 -2.586 1.00 0.00 O ATOM 576 OE2 GLU A 38 7.122 -13.525 -2.121 1.00 0.00 O ATOM 0 H GLU A 38 8.833 -7.383 -1.796 1.00 0.00 H new ATOM 0 HA GLU A 38 9.200 -10.047 -2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.033 -10.532 -0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.713 -9.394 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.696 -11.535 -0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.364 -10.832 -2.005 1.00 0.00 H new ATOM 583 N VAL A 39 7.098 -9.568 -4.275 1.00 0.00 N ATOM 584 CA VAL A 39 5.936 -9.249 -5.101 1.00 0.00 C ATOM 585 C VAL A 39 4.805 -10.268 -4.818 1.00 0.00 C ATOM 586 O VAL A 39 4.914 -11.451 -5.136 1.00 0.00 O ATOM 587 CB VAL A 39 6.336 -9.188 -6.598 1.00 0.00 C ATOM 588 CG1 VAL A 39 5.224 -8.670 -7.535 1.00 0.00 C ATOM 589 CG2 VAL A 39 7.581 -8.313 -6.842 1.00 0.00 C ATOM 0 H VAL A 39 7.647 -10.350 -4.631 1.00 0.00 H new ATOM 0 HA VAL A 39 5.555 -8.261 -4.845 1.00 0.00 H new ATOM 0 HB VAL A 39 6.542 -10.231 -6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.589 -8.660 -8.562 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.355 -9.324 -7.465 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.942 -7.659 -7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.817 -8.305 -7.906 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.382 -7.295 -6.507 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.426 -8.719 -6.286 1.00 0.00 H new ATOM 599 N VAL A 40 3.688 -9.805 -4.255 1.00 0.00 N ATOM 600 CA VAL A 40 2.391 -10.494 -4.281 1.00 0.00 C ATOM 601 C VAL A 40 1.739 -10.264 -5.655 1.00 0.00 C ATOM 602 O VAL A 40 2.016 -9.266 -6.310 1.00 0.00 O ATOM 603 CB VAL A 40 1.531 -9.907 -3.130 1.00 0.00 C ATOM 604 CG1 VAL A 40 0.010 -9.926 -3.340 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.798 -10.703 -1.850 1.00 0.00 C ATOM 0 H VAL A 40 3.657 -8.917 -3.754 1.00 0.00 H new ATOM 0 HA VAL A 40 2.493 -11.569 -4.136 1.00 0.00 H new ATOM 0 HB VAL A 40 1.832 -8.861 -3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.483 -9.491 -2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.242 -9.346 -4.228 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.326 -10.955 -3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.197 -10.296 -1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.533 -11.748 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.854 -10.632 -1.591 1.00 0.00 H new ATOM 615 N GLU A 41 0.809 -11.119 -6.067 1.00 0.00 N ATOM 616 CA GLU A 41 -0.123 -10.853 -7.159 1.00 0.00 C ATOM 617 C GLU A 41 -1.499 -10.946 -6.528 1.00 0.00 C ATOM 618 O GLU A 41 -1.827 -11.948 -5.886 1.00 0.00 O ATOM 619 CB GLU A 41 0.031 -11.850 -8.319 1.00 0.00 C ATOM 620 CG GLU A 41 -0.839 -11.448 -9.517 1.00 0.00 C ATOM 621 CD GLU A 41 -0.430 -12.197 -10.789 1.00 0.00 C ATOM 622 OE1 GLU A 41 0.554 -11.765 -11.444 1.00 0.00 O ATOM 623 OE2 GLU A 41 -1.088 -13.216 -11.105 1.00 0.00 O ATOM 0 H GLU A 41 0.679 -12.037 -5.642 1.00 0.00 H new ATOM 0 HA GLU A 41 0.062 -9.877 -7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.076 -11.897 -8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.248 -12.849 -7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.885 -11.655 -9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.755 -10.374 -9.684 1.00 0.00 H new ATOM 630 N ASN A 42 -2.278 -9.879 -6.622 1.00 0.00 N ATOM 631 CA ASN A 42 -3.567 -9.750 -5.978 1.00 0.00 C ATOM 632 C ASN A 42 -4.483 -9.204 -7.049 1.00 0.00 C ATOM 633 O ASN A 42 -4.311 -8.092 -7.538 1.00 0.00 O ATOM 634 CB ASN A 42 -3.452 -8.855 -4.725 1.00 0.00 C ATOM 635 CG ASN A 42 -4.012 -9.457 -3.434 1.00 0.00 C ATOM 636 OD1 ASN A 42 -3.613 -9.046 -2.357 1.00 0.00 O ATOM 637 ND2 ASN A 42 -4.942 -10.397 -3.427 1.00 0.00 N ATOM 0 H ASN A 42 -2.018 -9.056 -7.166 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.964 -10.692 -5.599 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.401 -8.614 -4.567 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.969 -7.916 -4.922 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.301 -10.753 -2.541 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.301 -10.766 -4.308 1.00 0.00 H new ATOM 644 N THR A 43 -5.433 -10.001 -7.500 1.00 0.00 N ATOM 645 CA THR A 43 -6.294 -9.604 -8.592 1.00 0.00 C ATOM 646 C THR A 43 -7.425 -8.754 -7.988 1.00 0.00 C ATOM 647 O THR A 43 -8.515 -9.270 -7.734 1.00 0.00 O ATOM 648 CB THR A 43 -6.684 -10.898 -9.338 1.00 0.00 C ATOM 649 OG1 THR A 43 -7.279 -11.818 -8.442 1.00 0.00 O ATOM 650 CG2 THR A 43 -5.448 -11.619 -9.923 1.00 0.00 C ATOM 0 H THR A 43 -5.626 -10.929 -7.124 1.00 0.00 H new ATOM 0 HA THR A 43 -5.845 -8.964 -9.352 1.00 0.00 H new ATOM 0 HB THR A 43 -7.366 -10.598 -10.134 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.864 -11.337 -7.820 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.766 -12.525 -10.440 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.941 -10.959 -10.626 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.765 -11.883 -9.116 1.00 0.00 H new ATOM 658 N ILE A 44 -7.127 -7.498 -7.616 1.00 0.00 N ATOM 659 CA ILE A 44 -8.027 -6.640 -6.844 1.00 0.00 C ATOM 660 C ILE A 44 -8.766 -5.698 -7.773 1.00 0.00 C ATOM 661 O ILE A 44 -8.190 -4.777 -8.358 1.00 0.00 O ATOM 662 CB ILE A 44 -7.319 -5.858 -5.724 1.00 0.00 C ATOM 663 CG1 ILE A 44 -6.226 -6.661 -5.033 1.00 0.00 C ATOM 664 CG2 ILE A 44 -8.263 -5.417 -4.611 1.00 0.00 C ATOM 665 CD1 ILE A 44 -6.697 -8.040 -4.559 1.00 0.00 C ATOM 0 H ILE A 44 -6.241 -7.049 -7.849 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.738 -7.298 -6.345 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.903 -4.998 -6.249 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.388 -6.786 -5.719 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.856 -6.097 -4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.702 -4.871 -3.853 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.037 -4.771 -5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.726 -6.294 -4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.870 -8.560 -4.075 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.516 -7.921 -3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.040 -8.621 -5.415 1.00 0.00 H new ATOM 677 N ALA A 45 -10.067 -5.925 -7.847 1.00 0.00 N ATOM 678 CA ALA A 45 -10.991 -5.154 -8.639 1.00 0.00 C ATOM 679 C ALA A 45 -12.000 -4.459 -7.722 1.00 0.00 C ATOM 680 O ALA A 45 -11.828 -4.336 -6.501 1.00 0.00 O ATOM 681 CB ALA A 45 -11.634 -6.082 -9.677 1.00 0.00 C ATOM 0 H ALA A 45 -10.519 -6.682 -7.334 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.484 -4.359 -9.186 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.337 -5.514 -10.286 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.859 -6.505 -10.316 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.163 -6.887 -9.167 1.00 0.00 H new ATOM 687 N ASP A 46 -13.059 -3.973 -8.355 1.00 0.00 N ATOM 688 CA ASP A 46 -14.189 -3.287 -7.770 1.00 0.00 C ATOM 689 C ASP A 46 -15.085 -4.363 -7.168 1.00 0.00 C ATOM 690 O ASP A 46 -15.695 -5.170 -7.870 1.00 0.00 O ATOM 691 CB ASP A 46 -14.926 -2.410 -8.805 1.00 0.00 C ATOM 692 CG ASP A 46 -15.069 -3.033 -10.199 1.00 0.00 C ATOM 693 OD1 ASP A 46 -14.008 -3.171 -10.860 1.00 0.00 O ATOM 694 OD2 ASP A 46 -16.204 -3.307 -10.644 1.00 0.00 O ATOM 0 H ASP A 46 -13.151 -4.058 -9.367 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.866 -2.590 -6.996 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.921 -2.181 -8.422 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.395 -1.463 -8.900 1.00 0.00 H new ATOM 699 N ALA A 47 -15.095 -4.408 -5.836 1.00 0.00 N ATOM 700 CA ALA A 47 -15.872 -5.314 -4.999 1.00 0.00 C ATOM 701 C ALA A 47 -16.797 -4.477 -4.117 1.00 0.00 C ATOM 702 O ALA A 47 -16.484 -3.319 -3.822 1.00 0.00 O ATOM 703 CB ALA A 47 -14.930 -6.159 -4.136 1.00 0.00 C ATOM 0 H ALA A 47 -14.524 -3.771 -5.280 1.00 0.00 H new ATOM 0 HA ALA A 47 -16.464 -5.988 -5.618 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -15.516 -6.834 -3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -14.270 -6.740 -4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.333 -5.504 -3.501 1.00 0.00 H new ATOM 709 N HIS A 48 -17.889 -5.053 -3.626 1.00 0.00 N ATOM 710 CA HIS A 48 -18.831 -4.311 -2.798 1.00 0.00 C ATOM 711 C HIS A 48 -18.230 -4.068 -1.406 1.00 0.00 C ATOM 712 O HIS A 48 -18.204 -2.930 -0.933 1.00 0.00 O ATOM 713 CB HIS A 48 -20.172 -5.047 -2.733 1.00 0.00 C ATOM 714 CG HIS A 48 -20.933 -5.126 -4.040 1.00 0.00 C ATOM 715 ND1 HIS A 48 -20.419 -5.350 -5.303 1.00 0.00 N ATOM 716 CD2 HIS A 48 -22.298 -5.123 -4.160 1.00 0.00 C ATOM 717 CE1 HIS A 48 -21.444 -5.491 -6.150 1.00 0.00 C ATOM 718 NE2 HIS A 48 -22.614 -5.421 -5.493 1.00 0.00 N ATOM 0 H HIS A 48 -18.143 -6.028 -3.787 1.00 0.00 H new ATOM 0 HA HIS A 48 -19.021 -3.335 -3.245 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -19.994 -6.061 -2.374 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -20.803 -4.553 -1.994 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -23.005 -4.926 -3.368 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -21.345 -5.640 -7.215 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -23.546 -5.557 -5.885 1.00 0.00 H new ATOM 726 N GLY A 49 -17.691 -5.098 -0.753 1.00 0.00 N ATOM 727 CA GLY A 49 -17.194 -5.021 0.616 1.00 0.00 C ATOM 728 C GLY A 49 -17.119 -6.418 1.223 1.00 0.00 C ATOM 729 O GLY A 49 -16.645 -7.339 0.556 1.00 0.00 O ATOM 0 H GLY A 49 -17.587 -6.023 -1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.208 -4.557 0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -17.851 -4.390 1.215 1.00 0.00 H new ATOM 733 N THR A 50 -17.603 -6.567 2.461 1.00 0.00 N ATOM 734 CA THR A 50 -17.490 -7.767 3.291 1.00 0.00 C ATOM 735 C THR A 50 -16.016 -8.078 3.600 1.00 0.00 C ATOM 736 O THR A 50 -15.308 -8.668 2.781 1.00 0.00 O ATOM 737 CB THR A 50 -18.260 -8.947 2.662 1.00 0.00 C ATOM 738 OG1 THR A 50 -19.592 -8.550 2.378 1.00 0.00 O ATOM 739 CG2 THR A 50 -18.350 -10.165 3.584 1.00 0.00 C ATOM 0 H THR A 50 -18.108 -5.817 2.932 1.00 0.00 H new ATOM 0 HA THR A 50 -17.966 -7.584 4.254 1.00 0.00 H new ATOM 0 HB THR A 50 -17.707 -9.223 1.764 1.00 0.00 H new ATOM 0 HG1 THR A 50 -20.079 -9.300 1.977 1.00 0.00 H new ATOM 0 HG21 THR A 50 -18.903 -10.960 3.084 1.00 0.00 H new ATOM 0 HG22 THR A 50 -17.346 -10.516 3.822 1.00 0.00 H new ATOM 0 HG23 THR A 50 -18.865 -9.888 4.504 1.00 0.00 H new ATOM 747 N GLY A 51 -15.556 -7.696 4.797 1.00 0.00 N ATOM 748 CA GLY A 51 -14.196 -7.961 5.259 1.00 0.00 C ATOM 749 C GLY A 51 -13.156 -7.155 4.470 1.00 0.00 C ATOM 750 O GLY A 51 -13.514 -6.263 3.685 1.00 0.00 O ATOM 0 H GLY A 51 -16.125 -7.190 5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.118 -7.715 6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.981 -9.025 5.162 1.00 0.00 H new ATOM 754 N PRO A 52 -11.857 -7.399 4.702 1.00 0.00 N ATOM 755 CA PRO A 52 -10.791 -6.981 3.805 1.00 0.00 C ATOM 756 C PRO A 52 -10.751 -7.920 2.587 1.00 0.00 C ATOM 757 O PRO A 52 -11.689 -8.666 2.309 1.00 0.00 O ATOM 758 CB PRO A 52 -9.546 -7.030 4.684 1.00 0.00 C ATOM 759 CG PRO A 52 -9.797 -8.205 5.627 1.00 0.00 C ATOM 760 CD PRO A 52 -11.318 -8.191 5.805 1.00 0.00 C ATOM 0 HA PRO A 52 -10.908 -5.986 3.375 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.645 -7.182 4.090 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.411 -6.099 5.235 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.450 -9.146 5.200 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.279 -8.077 6.577 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.720 -9.204 5.788 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.592 -7.755 6.766 1.00 0.00 H new ATOM 768 N LYS A 53 -9.675 -7.841 1.808 1.00 0.00 N ATOM 769 CA LYS A 53 -9.382 -8.729 0.680 1.00 0.00 C ATOM 770 C LYS A 53 -7.868 -8.774 0.514 1.00 0.00 C ATOM 771 O LYS A 53 -7.245 -9.825 0.585 1.00 0.00 O ATOM 772 CB LYS A 53 -10.151 -8.292 -0.597 1.00 0.00 C ATOM 773 CG LYS A 53 -10.017 -6.802 -0.982 1.00 0.00 C ATOM 774 CD LYS A 53 -11.015 -6.354 -2.063 1.00 0.00 C ATOM 775 CE LYS A 53 -10.852 -4.836 -2.220 1.00 0.00 C ATOM 776 NZ LYS A 53 -11.681 -4.240 -3.294 1.00 0.00 N ATOM 0 H LYS A 53 -8.955 -7.132 1.948 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.735 -9.743 0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.803 -8.897 -1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.208 -8.519 -0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.160 -6.191 -0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.003 -6.616 -1.336 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.817 -6.863 -3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.036 -6.605 -1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.104 -4.356 -1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.804 -4.614 -2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.358 -3.270 -3.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.591 -4.810 -4.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.677 -4.221 -2.994 1.00 0.00 H new ATOM 790 N VAL A 54 -7.268 -7.593 0.419 1.00 0.00 N ATOM 791 CA VAL A 54 -5.836 -7.370 0.289 1.00 0.00 C ATOM 792 C VAL A 54 -5.177 -7.295 1.672 1.00 0.00 C ATOM 793 O VAL A 54 -4.114 -7.856 1.895 1.00 0.00 O ATOM 794 CB VAL A 54 -5.690 -6.090 -0.563 1.00 0.00 C ATOM 795 CG1 VAL A 54 -6.311 -4.816 0.036 1.00 0.00 C ATOM 796 CG2 VAL A 54 -4.249 -5.818 -0.962 1.00 0.00 C ATOM 0 H VAL A 54 -7.797 -6.721 0.431 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.316 -8.189 -0.208 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.279 -6.323 -1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.151 -3.979 -0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.381 -4.966 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.842 -4.599 0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.203 -4.907 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.640 -5.696 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.869 -6.655 -1.547 1.00 0.00 H new ATOM 806 N VAL A 55 -5.841 -6.653 2.632 1.00 0.00 N ATOM 807 CA VAL A 55 -5.367 -6.475 4.001 1.00 0.00 C ATOM 808 C VAL A 55 -5.182 -7.829 4.667 1.00 0.00 C ATOM 809 O VAL A 55 -4.065 -8.078 5.086 1.00 0.00 O ATOM 810 CB VAL A 55 -6.276 -5.491 4.774 1.00 0.00 C ATOM 811 CG1 VAL A 55 -5.439 -4.587 5.681 1.00 0.00 C ATOM 812 CG2 VAL A 55 -7.136 -4.592 3.856 1.00 0.00 C ATOM 0 H VAL A 55 -6.754 -6.229 2.471 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.383 -6.007 4.001 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.951 -6.116 5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.095 -3.901 6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.890 -5.198 6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.734 -4.016 5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.748 -3.928 4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.485 -3.998 3.215 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.783 -5.215 3.238 1.00 0.00 H new ATOM 822 N GLN A 56 -6.184 -8.721 4.656 1.00 0.00 N ATOM 823 CA GLN A 56 -6.089 -10.061 5.246 1.00 0.00 C ATOM 824 C GLN A 56 -4.753 -10.727 4.884 1.00 0.00 C ATOM 825 O GLN A 56 -4.015 -11.181 5.761 1.00 0.00 O ATOM 826 CB GLN A 56 -7.287 -10.931 4.794 1.00 0.00 C ATOM 827 CG GLN A 56 -8.203 -11.365 5.954 1.00 0.00 C ATOM 828 CD GLN A 56 -7.747 -12.658 6.639 1.00 0.00 C ATOM 829 OE1 GLN A 56 -6.560 -12.969 6.698 1.00 0.00 O ATOM 830 NE2 GLN A 56 -8.664 -13.445 7.177 1.00 0.00 N ATOM 0 H GLN A 56 -7.092 -8.528 4.232 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.125 -9.965 6.331 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.876 -10.374 4.065 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.910 -11.819 4.287 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.243 -10.566 6.694 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -9.216 -11.501 5.576 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.650 -13.187 7.128 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.385 -14.310 7.641 1.00 0.00 H new ATOM 839 N SER A 57 -4.435 -10.704 3.586 1.00 0.00 N ATOM 840 CA SER A 57 -3.174 -11.142 3.031 1.00 0.00 C ATOM 841 C SER A 57 -1.987 -10.385 3.605 1.00 0.00 C ATOM 842 O SER A 57 -1.131 -11.002 4.225 1.00 0.00 O ATOM 843 CB SER A 57 -3.222 -10.974 1.507 1.00 0.00 C ATOM 844 OG SER A 57 -3.890 -12.063 0.898 1.00 0.00 O ATOM 0 H SER A 57 -5.082 -10.364 2.875 1.00 0.00 H new ATOM 0 HA SER A 57 -3.033 -12.189 3.298 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.731 -10.044 1.256 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.208 -10.898 1.114 1.00 0.00 H new ATOM 0 HG SER A 57 -3.910 -11.933 -0.073 1.00 0.00 H new ATOM 850 N LEU A 58 -1.882 -9.081 3.370 1.00 0.00 N ATOM 851 CA LEU A 58 -0.666 -8.328 3.654 1.00 0.00 C ATOM 852 C LEU A 58 -0.291 -8.371 5.124 1.00 0.00 C ATOM 853 O LEU A 58 0.879 -8.520 5.470 1.00 0.00 O ATOM 854 CB LEU A 58 -0.865 -6.877 3.220 1.00 0.00 C ATOM 855 CG LEU A 58 -0.865 -6.700 1.704 1.00 0.00 C ATOM 856 CD1 LEU A 58 -1.393 -5.308 1.350 1.00 0.00 C ATOM 857 CD2 LEU A 58 0.540 -6.896 1.139 1.00 0.00 C ATOM 0 H LEU A 58 -2.636 -8.517 2.978 1.00 0.00 H new ATOM 0 HA LEU A 58 0.150 -8.789 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.809 -6.510 3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.074 -6.263 3.651 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.516 -7.453 1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.392 -5.183 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.410 -5.198 1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.754 -4.550 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.519 -6.766 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.215 -6.162 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.891 -7.900 1.377 1.00 0.00 H new ATOM 869 N VAL A 59 -1.301 -8.291 5.972 1.00 0.00 N ATOM 870 CA VAL A 59 -1.230 -8.404 7.412 1.00 0.00 C ATOM 871 C VAL A 59 -0.603 -9.746 7.827 1.00 0.00 C ATOM 872 O VAL A 59 0.143 -9.798 8.803 1.00 0.00 O ATOM 873 CB VAL A 59 -2.679 -8.188 7.884 1.00 0.00 C ATOM 874 CG1 VAL A 59 -2.965 -8.653 9.307 1.00 0.00 C ATOM 875 CG2 VAL A 59 -3.033 -6.696 7.795 1.00 0.00 C ATOM 0 H VAL A 59 -2.255 -8.135 5.647 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.576 -7.670 7.883 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.289 -8.801 7.221 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.010 -8.460 9.550 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.765 -9.721 9.388 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.325 -8.111 10.003 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.059 -6.545 8.130 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.357 -6.123 8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.935 -6.360 6.763 1.00 0.00 H new ATOM 885 N SER A 60 -0.834 -10.824 7.070 1.00 0.00 N ATOM 886 CA SER A 60 -0.176 -12.108 7.290 1.00 0.00 C ATOM 887 C SER A 60 1.354 -11.973 7.166 1.00 0.00 C ATOM 888 O SER A 60 2.085 -12.667 7.872 1.00 0.00 O ATOM 889 CB SER A 60 -0.756 -13.122 6.290 1.00 0.00 C ATOM 890 OG SER A 60 -0.599 -14.470 6.673 1.00 0.00 O ATOM 0 H SER A 60 -1.486 -10.826 6.285 1.00 0.00 H new ATOM 0 HA SER A 60 -0.366 -12.462 8.303 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.818 -12.916 6.156 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.278 -12.974 5.322 1.00 0.00 H new ATOM 0 HG SER A 60 -0.993 -15.052 5.990 1.00 0.00 H new ATOM 896 N LYS A 61 1.863 -11.054 6.332 1.00 0.00 N ATOM 897 CA LYS A 61 3.298 -10.823 6.138 1.00 0.00 C ATOM 898 C LYS A 61 3.750 -9.598 6.932 1.00 0.00 C ATOM 899 O LYS A 61 4.625 -8.862 6.471 1.00 0.00 O ATOM 900 CB LYS A 61 3.610 -10.590 4.645 1.00 0.00 C ATOM 901 CG LYS A 61 3.180 -11.703 3.689 1.00 0.00 C ATOM 902 CD LYS A 61 1.702 -11.630 3.282 1.00 0.00 C ATOM 903 CE LYS A 61 1.431 -11.729 1.777 1.00 0.00 C ATOM 904 NZ LYS A 61 2.117 -12.871 1.149 1.00 0.00 N ATOM 0 H LYS A 61 1.277 -10.441 5.765 1.00 0.00 H new ATOM 0 HA LYS A 61 3.832 -11.706 6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.127 -9.664 4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.684 -10.441 4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.797 -11.658 2.792 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.371 -12.668 4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.164 -12.433 3.785 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.287 -10.691 3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.358 -11.819 1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.752 -10.807 1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.655 -13.099 0.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.113 -12.626 0.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.068 -13.696 1.781 1.00 0.00 H new ATOM 918 N GLY A 62 3.208 -9.404 8.135 1.00 0.00 N ATOM 919 CA GLY A 62 3.667 -8.387 9.063 1.00 0.00 C ATOM 920 C GLY A 62 3.720 -6.973 8.495 1.00 0.00 C ATOM 921 O GLY A 62 4.550 -6.184 8.940 1.00 0.00 O ATOM 0 H GLY A 62 2.429 -9.959 8.490 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.011 -8.388 9.934 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.663 -8.659 9.414 1.00 0.00 H new ATOM 925 N VAL A 63 2.919 -6.654 7.478 1.00 0.00 N ATOM 926 CA VAL A 63 2.930 -5.341 6.862 1.00 0.00 C ATOM 927 C VAL A 63 2.239 -4.388 7.829 1.00 0.00 C ATOM 928 O VAL A 63 1.008 -4.293 7.822 1.00 0.00 O ATOM 929 CB VAL A 63 2.235 -5.399 5.490 1.00 0.00 C ATOM 930 CG1 VAL A 63 2.028 -4.021 4.856 1.00 0.00 C ATOM 931 CG2 VAL A 63 3.060 -6.207 4.486 1.00 0.00 C ATOM 0 H VAL A 63 2.248 -7.302 7.064 1.00 0.00 H new ATOM 0 HA VAL A 63 3.944 -4.988 6.675 1.00 0.00 H new ATOM 0 HB VAL A 63 1.269 -5.862 5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.533 -4.135 3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.409 -3.408 5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.994 -3.537 4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.544 -6.230 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.038 -5.742 4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.187 -7.225 4.855 1.00 0.00 H new ATOM 941 N GLU A 64 3.003 -3.659 8.644 1.00 0.00 N ATOM 942 CA GLU A 64 2.425 -2.642 9.520 1.00 0.00 C ATOM 943 C GLU A 64 2.745 -1.260 8.959 1.00 0.00 C ATOM 944 O GLU A 64 2.878 -0.290 9.701 1.00 0.00 O ATOM 945 CB GLU A 64 2.949 -2.778 10.961 1.00 0.00 C ATOM 946 CG GLU A 64 3.111 -4.239 11.410 1.00 0.00 C ATOM 947 CD GLU A 64 3.303 -4.414 12.914 1.00 0.00 C ATOM 948 OE1 GLU A 64 2.829 -3.562 13.700 1.00 0.00 O ATOM 949 OE2 GLU A 64 3.994 -5.379 13.308 1.00 0.00 O ATOM 0 H GLU A 64 4.016 -3.753 8.715 1.00 0.00 H new ATOM 0 HA GLU A 64 1.344 -2.781 9.555 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.911 -2.271 11.041 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.264 -2.270 11.640 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.231 -4.802 11.099 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.967 -4.673 10.893 1.00 0.00 H new ATOM 956 N TYR A 65 2.740 -1.116 7.637 1.00 0.00 N ATOM 957 CA TYR A 65 3.194 0.075 6.951 1.00 0.00 C ATOM 958 C TYR A 65 2.687 0.007 5.507 1.00 0.00 C ATOM 959 O TYR A 65 2.409 -1.067 4.966 1.00 0.00 O ATOM 960 CB TYR A 65 4.726 0.124 7.049 1.00 0.00 C ATOM 961 CG TYR A 65 5.328 1.256 7.864 1.00 0.00 C ATOM 962 CD1 TYR A 65 5.564 1.061 9.240 1.00 0.00 C ATOM 963 CD2 TYR A 65 5.723 2.469 7.261 1.00 0.00 C ATOM 964 CE1 TYR A 65 6.282 2.012 9.981 1.00 0.00 C ATOM 965 CE2 TYR A 65 6.438 3.426 8.002 1.00 0.00 C ATOM 966 CZ TYR A 65 6.749 3.187 9.358 1.00 0.00 C ATOM 967 OH TYR A 65 7.510 4.072 10.054 1.00 0.00 O ATOM 0 H TYR A 65 2.411 -1.845 7.004 1.00 0.00 H new ATOM 0 HA TYR A 65 2.807 0.992 7.395 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.069 -0.819 7.474 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.129 0.183 6.038 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.189 0.173 9.728 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.475 2.663 6.228 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.477 1.843 11.030 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.750 4.347 7.532 1.00 0.00 H new ATOM 0 HH TYR A 65 7.748 4.826 9.474 1.00 0.00 H new ATOM 977 N LEU A 66 2.548 1.146 4.842 1.00 0.00 N ATOM 978 CA LEU A 66 1.925 1.242 3.532 1.00 0.00 C ATOM 979 C LEU A 66 2.300 2.600 2.955 1.00 0.00 C ATOM 980 O LEU A 66 2.392 3.578 3.694 1.00 0.00 O ATOM 981 CB LEU A 66 0.401 1.083 3.720 1.00 0.00 C ATOM 982 CG LEU A 66 -0.470 1.481 2.529 1.00 0.00 C ATOM 983 CD1 LEU A 66 -0.218 0.676 1.263 1.00 0.00 C ATOM 984 CD2 LEU A 66 -1.961 1.333 2.862 1.00 0.00 C ATOM 0 H LEU A 66 2.871 2.043 5.205 1.00 0.00 H new ATOM 0 HA LEU A 66 2.260 0.467 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.193 0.041 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.098 1.679 4.581 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.194 2.518 2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.880 1.027 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.819 0.802 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.412 -0.379 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.558 1.623 1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.175 0.296 3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.211 1.975 3.707 1.00 0.00 H new ATOM 996 N ILE A 67 2.472 2.669 1.639 1.00 0.00 N ATOM 997 CA ILE A 67 2.651 3.898 0.882 1.00 0.00 C ATOM 998 C ILE A 67 1.504 3.919 -0.117 1.00 0.00 C ATOM 999 O ILE A 67 1.516 3.114 -1.044 1.00 0.00 O ATOM 1000 CB ILE A 67 4.044 3.887 0.210 1.00 0.00 C ATOM 1001 CG1 ILE A 67 5.145 4.043 1.290 1.00 0.00 C ATOM 1002 CG2 ILE A 67 4.193 5.089 -0.730 1.00 0.00 C ATOM 1003 CD1 ILE A 67 6.484 3.421 0.883 1.00 0.00 C ATOM 0 H ILE A 67 2.491 1.837 1.050 1.00 0.00 H new ATOM 0 HA ILE A 67 2.626 4.799 1.495 1.00 0.00 H new ATOM 0 HB ILE A 67 4.142 2.948 -0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.293 5.103 1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.804 3.581 2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.178 5.067 -1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.426 5.044 -1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.081 6.012 -0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.210 3.565 1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.350 2.354 0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.846 3.900 -0.027 1.00 0.00 H new ATOM 1015 N ALA A 68 0.473 4.739 0.086 1.00 0.00 N ATOM 1016 CA ALA A 68 -0.683 4.781 -0.796 1.00 0.00 C ATOM 1017 C ALA A 68 -1.319 6.169 -0.833 1.00 0.00 C ATOM 1018 O ALA A 68 -1.569 6.761 0.206 1.00 0.00 O ATOM 1019 CB ALA A 68 -1.737 3.782 -0.326 1.00 0.00 C ATOM 0 H ALA A 68 0.420 5.391 0.868 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.332 4.528 -1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.598 3.821 -0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.316 2.777 -0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.051 4.034 0.687 1.00 0.00 H new ATOM 1025 N SER A 69 -1.650 6.673 -2.018 1.00 0.00 N ATOM 1026 CA SER A 69 -2.192 8.024 -2.169 1.00 0.00 C ATOM 1027 C SER A 69 -3.600 8.166 -1.576 1.00 0.00 C ATOM 1028 O SER A 69 -4.031 9.283 -1.291 1.00 0.00 O ATOM 1029 CB SER A 69 -2.186 8.409 -3.656 1.00 0.00 C ATOM 1030 OG SER A 69 -2.960 7.498 -4.406 1.00 0.00 O ATOM 0 H SER A 69 -1.552 6.163 -2.896 1.00 0.00 H new ATOM 0 HA SER A 69 -1.553 8.705 -1.607 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.581 9.417 -3.778 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.162 8.420 -4.031 1.00 0.00 H new ATOM 0 HG SER A 69 -3.416 7.975 -5.130 1.00 0.00 H new ATOM 1036 N ASN A 70 -4.342 7.058 -1.460 1.00 0.00 N ATOM 1037 CA ASN A 70 -5.792 6.982 -1.263 1.00 0.00 C ATOM 1038 C ASN A 70 -6.163 5.492 -1.135 1.00 0.00 C ATOM 1039 O ASN A 70 -5.286 4.623 -1.243 1.00 0.00 O ATOM 1040 CB ASN A 70 -6.449 7.511 -2.553 1.00 0.00 C ATOM 1041 CG ASN A 70 -7.965 7.660 -2.552 1.00 0.00 C ATOM 1042 OD1 ASN A 70 -8.664 6.811 -3.106 1.00 0.00 O ATOM 1043 ND2 ASN A 70 -8.499 8.737 -2.010 1.00 0.00 N ATOM 0 H ASN A 70 -3.917 6.132 -1.504 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.110 7.546 -0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.014 8.485 -2.779 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.176 6.843 -3.370 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.509 8.879 -2.045 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.903 9.429 -1.556 1.00 0.00 H new ATOM 1050 N VAL A 71 -7.446 5.130 -1.023 1.00 0.00 N ATOM 1051 CA VAL A 71 -7.869 3.735 -0.924 1.00 0.00 C ATOM 1052 C VAL A 71 -9.112 3.429 -1.764 1.00 0.00 C ATOM 1053 O VAL A 71 -10.063 4.205 -1.803 1.00 0.00 O ATOM 1054 CB VAL A 71 -7.997 3.425 0.572 1.00 0.00 C ATOM 1055 CG1 VAL A 71 -9.265 3.961 1.240 1.00 0.00 C ATOM 1056 CG2 VAL A 71 -7.916 1.937 0.922 1.00 0.00 C ATOM 0 H VAL A 71 -8.217 5.798 -0.999 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.131 3.062 -1.362 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.127 3.952 0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.262 3.690 2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.296 5.046 1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.141 3.529 0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.016 1.811 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.720 1.400 0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.955 1.539 0.598 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.093 2.238 -2.375 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.103 1.669 -3.264 1.00 0.00 C ATOM 1068 C GLY A 72 -11.509 1.518 -2.682 1.00 0.00 C ATOM 1069 O GLY A 72 -12.396 1.124 -3.429 1.00 0.00 O ATOM 0 H GLY A 72 -8.307 1.600 -2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.167 2.294 -4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.759 0.687 -3.588 1.00 0.00 H new ATOM 1073 N ARG A 73 -11.690 1.674 -1.366 1.00 0.00 N ATOM 1074 CA ARG A 73 -12.907 1.824 -0.558 1.00 0.00 C ATOM 1075 C ARG A 73 -12.669 1.081 0.751 1.00 0.00 C ATOM 1076 O ARG A 73 -11.930 1.593 1.595 1.00 0.00 O ATOM 1077 CB ARG A 73 -14.270 1.512 -1.224 1.00 0.00 C ATOM 1078 CG ARG A 73 -14.810 2.620 -2.157 1.00 0.00 C ATOM 1079 CD ARG A 73 -16.342 2.594 -2.261 1.00 0.00 C ATOM 1080 NE ARG A 73 -16.818 1.307 -2.786 1.00 0.00 N ATOM 1081 CZ ARG A 73 -17.841 0.570 -2.339 1.00 0.00 C ATOM 1082 NH1 ARG A 73 -18.661 0.982 -1.375 1.00 0.00 N ATOM 1083 NH2 ARG A 73 -18.030 -0.623 -2.881 1.00 0.00 N ATOM 0 H ARG A 73 -10.871 1.702 -0.759 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.049 2.892 -0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.175 0.590 -1.797 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.006 1.326 -0.441 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.489 3.593 -1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.378 2.499 -3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.779 2.773 -1.278 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.679 3.402 -2.911 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.308 0.931 -3.586 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.523 1.896 -0.944 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -19.428 0.384 -1.068 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.405 -0.954 -3.616 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.801 -1.211 -2.564 1.00 0.00 H new ATOM 1097 N ASN A 74 -13.249 -0.111 0.915 1.00 0.00 N ATOM 1098 CA ASN A 74 -13.078 -0.931 2.114 1.00 0.00 C ATOM 1099 C ASN A 74 -11.620 -1.357 2.209 1.00 0.00 C ATOM 1100 O ASN A 74 -11.020 -1.723 1.196 1.00 0.00 O ATOM 1101 CB ASN A 74 -14.000 -2.162 2.102 1.00 0.00 C ATOM 1102 CG ASN A 74 -15.436 -1.787 2.454 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -16.048 -0.994 1.744 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -15.998 -2.311 3.524 1.00 0.00 N ATOM 0 H ASN A 74 -13.855 -0.536 0.213 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.354 -0.339 2.986 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.975 -2.627 1.117 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.631 -2.901 2.813 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.955 -2.059 3.773 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.476 -2.968 4.104 1.00 0.00 H new ATOM 1111 N ALA A 75 -11.075 -1.291 3.426 1.00 0.00 N ATOM 1112 CA ALA A 75 -9.736 -1.658 3.885 1.00 0.00 C ATOM 1113 C ALA A 75 -9.358 -0.863 5.130 1.00 0.00 C ATOM 1114 O ALA A 75 -8.605 -1.363 5.959 1.00 0.00 O ATOM 1115 CB ALA A 75 -8.643 -1.387 2.844 1.00 0.00 C ATOM 0 H ALA A 75 -11.630 -0.936 4.205 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.787 -2.729 4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.675 -1.682 3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.850 -1.962 1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.627 -0.324 2.601 1.00 0.00 H new ATOM 1121 N PHE A 76 -9.789 0.398 5.215 1.00 0.00 N ATOM 1122 CA PHE A 76 -9.231 1.385 6.135 1.00 0.00 C ATOM 1123 C PHE A 76 -9.334 0.931 7.583 1.00 0.00 C ATOM 1124 O PHE A 76 -8.365 1.042 8.326 1.00 0.00 O ATOM 1125 CB PHE A 76 -9.949 2.714 5.913 1.00 0.00 C ATOM 1126 CG PHE A 76 -9.564 3.838 6.855 1.00 0.00 C ATOM 1127 CD1 PHE A 76 -8.278 4.402 6.784 1.00 0.00 C ATOM 1128 CD2 PHE A 76 -10.507 4.369 7.754 1.00 0.00 C ATOM 1129 CE1 PHE A 76 -7.949 5.539 7.538 1.00 0.00 C ATOM 1130 CE2 PHE A 76 -10.179 5.501 8.522 1.00 0.00 C ATOM 1131 CZ PHE A 76 -8.911 6.103 8.399 1.00 0.00 C ATOM 0 H PHE A 76 -10.546 0.764 4.638 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.167 1.505 5.931 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.760 3.041 4.891 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.022 2.544 6.000 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.534 3.955 6.141 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.479 3.909 7.854 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.966 5.978 7.459 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.903 5.911 9.210 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.677 6.994 8.963 1.00 0.00 H new ATOM 1141 N GLU A 77 -10.470 0.350 7.950 1.00 0.00 N ATOM 1142 CA GLU A 77 -10.761 -0.148 9.287 1.00 0.00 C ATOM 1143 C GLU A 77 -9.775 -1.266 9.638 1.00 0.00 C ATOM 1144 O GLU A 77 -9.269 -1.350 10.758 1.00 0.00 O ATOM 1145 CB GLU A 77 -12.200 -0.688 9.309 1.00 0.00 C ATOM 1146 CG GLU A 77 -13.273 0.350 8.938 1.00 0.00 C ATOM 1147 CD GLU A 77 -14.561 -0.339 8.492 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -14.671 -0.720 7.305 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -15.486 -0.537 9.315 1.00 0.00 O ATOM 0 H GLU A 77 -11.242 0.208 7.299 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.661 0.654 10.019 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.271 -1.528 8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.415 -1.075 10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.476 0.992 9.795 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.903 0.993 8.139 1.00 0.00 H new ATOM 1156 N THR A 78 -9.467 -2.112 8.658 1.00 0.00 N ATOM 1157 CA THR A 78 -8.560 -3.236 8.804 1.00 0.00 C ATOM 1158 C THR A 78 -7.103 -2.753 8.857 1.00 0.00 C ATOM 1159 O THR A 78 -6.256 -3.428 9.436 1.00 0.00 O ATOM 1160 CB THR A 78 -8.816 -4.234 7.656 1.00 0.00 C ATOM 1161 OG1 THR A 78 -10.206 -4.363 7.389 1.00 0.00 O ATOM 1162 CG2 THR A 78 -8.261 -5.621 7.959 1.00 0.00 C ATOM 0 H THR A 78 -9.854 -2.028 7.718 1.00 0.00 H new ATOM 0 HA THR A 78 -8.744 -3.750 9.747 1.00 0.00 H new ATOM 0 HB THR A 78 -8.300 -3.827 6.786 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.392 -5.264 7.052 1.00 0.00 H new ATOM 0 HG21 THR A 78 -8.467 -6.286 7.121 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.184 -5.556 8.115 1.00 0.00 H new ATOM 0 HG23 THR A 78 -8.735 -6.014 8.859 1.00 0.00 H new ATOM 1170 N LEU A 79 -6.795 -1.572 8.303 1.00 0.00 N ATOM 1171 CA LEU A 79 -5.433 -1.047 8.328 1.00 0.00 C ATOM 1172 C LEU A 79 -5.088 -0.635 9.754 1.00 0.00 C ATOM 1173 O LEU A 79 -4.066 -1.017 10.305 1.00 0.00 O ATOM 1174 CB LEU A 79 -5.262 0.134 7.350 1.00 0.00 C ATOM 1175 CG LEU A 79 -5.228 -0.288 5.855 1.00 0.00 C ATOM 1176 CD1 LEU A 79 -5.299 0.889 4.859 1.00 0.00 C ATOM 1177 CD2 LEU A 79 -3.937 -1.052 5.541 1.00 0.00 C ATOM 0 H LEU A 79 -7.471 -0.968 7.835 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.746 -1.827 8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.080 0.839 7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.339 0.661 7.590 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.118 -0.904 5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.270 0.505 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.227 1.440 5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.451 1.554 5.021 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.931 -1.339 4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.077 -0.414 5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.883 -1.946 6.162 1.00 0.00 H new ATOM 1189 N LYS A 80 -5.941 0.159 10.381 1.00 0.00 N ATOM 1190 CA LYS A 80 -5.769 0.550 11.764 1.00 0.00 C ATOM 1191 C LYS A 80 -5.925 -0.597 12.742 1.00 0.00 C ATOM 1192 O LYS A 80 -5.232 -0.566 13.758 1.00 0.00 O ATOM 1193 CB LYS A 80 -6.681 1.714 12.094 1.00 0.00 C ATOM 1194 CG LYS A 80 -8.125 1.629 11.561 1.00 0.00 C ATOM 1195 CD LYS A 80 -8.692 2.992 11.158 1.00 0.00 C ATOM 1196 CE LYS A 80 -7.804 3.646 10.097 1.00 0.00 C ATOM 1197 NZ LYS A 80 -7.125 4.868 10.585 1.00 0.00 N ATOM 0 H LYS A 80 -6.774 0.550 9.940 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.735 0.875 11.880 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.723 1.818 13.178 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.226 2.625 11.704 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.150 0.962 10.700 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.764 1.187 12.326 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.704 2.872 10.771 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.760 3.638 12.033 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.054 2.928 9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.411 3.897 9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.383 5.674 9.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.419 5.061 11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.095 4.728 10.554 1.00 0.00 H new ATOM 1211 N ALA A 81 -6.748 -1.596 12.424 1.00 0.00 N ATOM 1212 CA ALA A 81 -6.771 -2.838 13.177 1.00 0.00 C ATOM 1213 C ALA A 81 -5.347 -3.388 13.272 1.00 0.00 C ATOM 1214 O ALA A 81 -4.795 -3.442 14.371 1.00 0.00 O ATOM 1215 CB ALA A 81 -7.757 -3.850 12.583 1.00 0.00 C ATOM 0 H ALA A 81 -7.407 -1.564 11.647 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.134 -2.641 14.186 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.742 -4.764 13.177 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.762 -3.428 12.592 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.469 -4.079 11.557 1.00 0.00 H new ATOM 1221 N ALA A 82 -4.698 -3.692 12.140 1.00 0.00 N ATOM 1222 CA ALA A 82 -3.383 -4.326 12.188 1.00 0.00 C ATOM 1223 C ALA A 82 -2.248 -3.294 12.328 1.00 0.00 C ATOM 1224 O ALA A 82 -1.134 -3.516 11.845 1.00 0.00 O ATOM 1225 CB ALA A 82 -3.245 -5.145 10.899 1.00 0.00 C ATOM 0 H ALA A 82 -5.056 -3.512 11.202 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.301 -4.966 13.067 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.275 -5.641 10.885 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.036 -5.894 10.857 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.326 -4.483 10.037 1.00 0.00 H new ATOM 1231 N GLY A 83 -2.474 -2.221 13.092 1.00 0.00 N ATOM 1232 CA GLY A 83 -1.525 -1.156 13.397 1.00 0.00 C ATOM 1233 C GLY A 83 -0.751 -0.598 12.203 1.00 0.00 C ATOM 1234 O GLY A 83 0.360 -0.094 12.374 1.00 0.00 O ATOM 0 H GLY A 83 -3.378 -2.067 13.538 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.066 -0.337 13.871 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.809 -1.531 14.128 1.00 0.00 H new ATOM 1238 N VAL A 84 -1.321 -0.656 11.001 1.00 0.00 N ATOM 1239 CA VAL A 84 -0.615 -0.423 9.754 1.00 0.00 C ATOM 1240 C VAL A 84 -0.467 1.073 9.556 1.00 0.00 C ATOM 1241 O VAL A 84 -1.470 1.792 9.507 1.00 0.00 O ATOM 1242 CB VAL A 84 -1.364 -1.131 8.595 1.00 0.00 C ATOM 1243 CG1 VAL A 84 -0.610 -1.109 7.262 1.00 0.00 C ATOM 1244 CG2 VAL A 84 -1.672 -2.595 8.917 1.00 0.00 C ATOM 0 H VAL A 84 -2.309 -0.872 10.870 1.00 0.00 H new ATOM 0 HA VAL A 84 0.388 -0.848 9.776 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.283 -0.554 8.491 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.199 -1.624 6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.444 -0.076 6.955 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.350 -1.611 7.379 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.197 -3.050 8.077 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.740 -3.132 9.096 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.298 -2.648 9.807 1.00 0.00 H new ATOM 1254 N LYS A 85 0.765 1.563 9.428 1.00 0.00 N ATOM 1255 CA LYS A 85 1.002 2.961 9.133 1.00 0.00 C ATOM 1256 C LYS A 85 0.727 3.113 7.634 1.00 0.00 C ATOM 1257 O LYS A 85 0.821 2.150 6.881 1.00 0.00 O ATOM 1258 CB LYS A 85 2.458 3.325 9.501 1.00 0.00 C ATOM 1259 CG LYS A 85 2.755 4.826 9.357 1.00 0.00 C ATOM 1260 CD LYS A 85 2.373 5.681 10.568 1.00 0.00 C ATOM 1261 CE LYS A 85 3.571 5.829 11.517 1.00 0.00 C ATOM 1262 NZ LYS A 85 3.420 6.906 12.517 1.00 0.00 N ATOM 0 H LYS A 85 1.613 1.004 9.526 1.00 0.00 H new ATOM 0 HA LYS A 85 0.363 3.633 9.706 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.655 3.018 10.528 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.140 2.762 8.863 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.820 4.953 9.163 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.225 5.204 8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.040 6.664 10.236 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.537 5.222 11.096 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.727 4.884 12.037 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.467 6.019 10.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.942 6.654 13.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.798 7.794 12.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.413 7.029 12.745 1.00 0.00 H new ATOM 1276 N VAL A 86 0.345 4.295 7.182 1.00 0.00 N ATOM 1277 CA VAL A 86 -0.092 4.558 5.823 1.00 0.00 C ATOM 1278 C VAL A 86 0.438 5.949 5.525 1.00 0.00 C ATOM 1279 O VAL A 86 0.077 6.905 6.207 1.00 0.00 O ATOM 1280 CB VAL A 86 -1.630 4.475 5.708 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -2.061 4.660 4.243 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -2.214 3.167 6.273 1.00 0.00 C ATOM 0 H VAL A 86 0.330 5.127 7.772 1.00 0.00 H new ATOM 0 HA VAL A 86 0.280 3.825 5.107 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.032 5.283 6.319 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.147 4.600 4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.728 5.634 3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.614 3.877 3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.298 3.174 6.161 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.798 2.318 5.730 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.959 3.081 7.329 1.00 0.00 H new ATOM 1292 N TYR A 87 1.334 6.058 4.556 1.00 0.00 N ATOM 1293 CA TYR A 87 1.758 7.327 3.996 1.00 0.00 C ATOM 1294 C TYR A 87 0.946 7.621 2.746 1.00 0.00 C ATOM 1295 O TYR A 87 0.502 6.682 2.089 1.00 0.00 O ATOM 1296 CB TYR A 87 3.228 7.235 3.599 1.00 0.00 C ATOM 1297 CG TYR A 87 4.194 7.564 4.711 1.00 0.00 C ATOM 1298 CD1 TYR A 87 4.523 6.617 5.697 1.00 0.00 C ATOM 1299 CD2 TYR A 87 4.742 8.850 4.771 1.00 0.00 C ATOM 1300 CE1 TYR A 87 5.461 6.954 6.694 1.00 0.00 C ATOM 1301 CE2 TYR A 87 5.641 9.211 5.778 1.00 0.00 C ATOM 1302 CZ TYR A 87 6.008 8.257 6.751 1.00 0.00 C ATOM 1303 OH TYR A 87 6.781 8.608 7.811 1.00 0.00 O ATOM 0 H TYR A 87 1.793 5.252 4.131 1.00 0.00 H new ATOM 0 HA TYR A 87 1.613 8.114 4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.433 6.226 3.242 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.410 7.912 2.764 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.061 5.641 5.691 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.464 9.579 4.024 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.764 6.213 7.419 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.051 10.210 5.811 1.00 0.00 H new ATOM 0 HH TYR A 87 7.083 9.534 7.704 1.00 0.00 H new ATOM 1313 N ARG A 88 0.861 8.893 2.356 1.00 0.00 N ATOM 1314 CA ARG A 88 0.434 9.321 1.026 1.00 0.00 C ATOM 1315 C ARG A 88 1.625 9.146 0.090 1.00 0.00 C ATOM 1316 O ARG A 88 2.756 9.258 0.547 1.00 0.00 O ATOM 1317 CB ARG A 88 0.003 10.798 1.067 1.00 0.00 C ATOM 1318 CG ARG A 88 -0.598 11.298 -0.264 1.00 0.00 C ATOM 1319 CD ARG A 88 -2.051 11.811 -0.190 1.00 0.00 C ATOM 1320 NE ARG A 88 -2.157 13.157 0.403 1.00 0.00 N ATOM 1321 CZ ARG A 88 -1.586 14.272 -0.073 1.00 0.00 C ATOM 1322 NH1 ARG A 88 -1.010 14.310 -1.268 1.00 0.00 N ATOM 1323 NH2 ARG A 88 -1.593 15.360 0.679 1.00 0.00 N ATOM 0 H ARG A 88 1.093 9.672 2.972 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.415 8.731 0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.731 10.933 1.862 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.866 11.414 1.322 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.032 12.100 -0.647 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.555 10.485 -0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.476 11.828 -1.193 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.647 11.113 0.398 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.715 13.247 1.252 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.993 13.475 -1.853 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.584 15.175 -1.602 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.027 15.339 1.602 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.164 16.220 0.336 1.00 0.00 H new ATOM 1337 N PHE A 89 1.391 8.951 -1.207 1.00 0.00 N ATOM 1338 CA PHE A 89 2.382 9.124 -2.265 1.00 0.00 C ATOM 1339 C PHE A 89 1.712 9.920 -3.399 1.00 0.00 C ATOM 1340 O PHE A 89 0.483 10.057 -3.404 1.00 0.00 O ATOM 1341 CB PHE A 89 2.961 7.750 -2.682 1.00 0.00 C ATOM 1342 CG PHE A 89 2.588 7.296 -4.084 1.00 0.00 C ATOM 1343 CD1 PHE A 89 1.226 7.054 -4.351 1.00 0.00 C ATOM 1344 CD2 PHE A 89 3.528 7.183 -5.132 1.00 0.00 C ATOM 1345 CE1 PHE A 89 0.772 6.808 -5.656 1.00 0.00 C ATOM 1346 CE2 PHE A 89 3.067 6.916 -6.423 1.00 0.00 C ATOM 1347 CZ PHE A 89 1.699 6.753 -6.705 1.00 0.00 C ATOM 0 H PHE A 89 0.479 8.660 -1.560 1.00 0.00 H new ATOM 0 HA PHE A 89 3.249 9.696 -1.935 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.048 7.792 -2.607 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.621 6.998 -1.970 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.518 7.058 -3.536 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.584 7.301 -4.939 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.281 6.663 -5.849 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.782 6.832 -7.228 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.367 6.587 -7.719 1.00 0.00 H new ATOM 1357 N GLU A 90 2.476 10.429 -4.366 1.00 0.00 N ATOM 1358 CA GLU A 90 1.967 11.261 -5.459 1.00 0.00 C ATOM 1359 C GLU A 90 2.665 10.956 -6.799 1.00 0.00 C ATOM 1360 O GLU A 90 3.505 11.706 -7.288 1.00 0.00 O ATOM 1361 CB GLU A 90 2.013 12.749 -5.069 1.00 0.00 C ATOM 1362 CG GLU A 90 3.320 13.246 -4.428 1.00 0.00 C ATOM 1363 CD GLU A 90 3.272 14.758 -4.209 1.00 0.00 C ATOM 1364 OE1 GLU A 90 2.679 15.224 -3.208 1.00 0.00 O ATOM 1365 OE2 GLU A 90 3.825 15.513 -5.042 1.00 0.00 O ATOM 0 H GLU A 90 3.483 10.273 -4.413 1.00 0.00 H new ATOM 0 HA GLU A 90 0.920 11.007 -5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.823 13.343 -5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.195 12.946 -4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.479 12.740 -3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.165 12.993 -5.069 1.00 0.00 H new ATOM 1372 N GLY A 91 2.260 9.848 -7.421 1.00 0.00 N ATOM 1373 CA GLY A 91 2.450 9.572 -8.847 1.00 0.00 C ATOM 1374 C GLY A 91 3.901 9.291 -9.254 1.00 0.00 C ATOM 1375 O GLY A 91 4.626 10.190 -9.677 1.00 0.00 O ATOM 0 H GLY A 91 1.776 9.095 -6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.836 8.714 -9.123 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.084 10.423 -9.421 1.00 0.00 H new ATOM 1379 N GLY A 92 4.307 8.025 -9.177 1.00 0.00 N ATOM 1380 CA GLY A 92 5.677 7.524 -9.168 1.00 0.00 C ATOM 1381 C GLY A 92 5.687 6.037 -9.529 1.00 0.00 C ATOM 1382 O GLY A 92 4.641 5.383 -9.484 1.00 0.00 O ATOM 0 H GLY A 92 3.631 7.264 -9.114 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.284 8.084 -9.879 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.122 7.672 -8.184 1.00 0.00 H new ATOM 1386 N THR A 93 6.851 5.484 -9.876 1.00 0.00 N ATOM 1387 CA THR A 93 7.048 4.042 -9.923 1.00 0.00 C ATOM 1388 C THR A 93 7.284 3.484 -8.510 1.00 0.00 C ATOM 1389 O THR A 93 7.412 4.289 -7.586 1.00 0.00 O ATOM 1390 CB THR A 93 8.155 3.660 -10.928 1.00 0.00 C ATOM 1391 OG1 THR A 93 9.462 4.066 -10.562 1.00 0.00 O ATOM 1392 CG2 THR A 93 7.849 4.175 -12.336 1.00 0.00 C ATOM 0 H THR A 93 7.678 6.024 -10.131 1.00 0.00 H new ATOM 0 HA THR A 93 6.137 3.572 -10.294 1.00 0.00 H new ATOM 0 HB THR A 93 8.148 2.570 -10.915 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.098 3.782 -11.252 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.653 3.885 -13.012 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.909 3.746 -12.684 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.766 5.262 -12.316 1.00 0.00 H new ATOM 1400 N VAL A 94 7.286 2.155 -8.276 1.00 0.00 N ATOM 1401 CA VAL A 94 7.454 1.652 -6.909 1.00 0.00 C ATOM 1402 C VAL A 94 8.657 2.283 -6.214 1.00 0.00 C ATOM 1403 O VAL A 94 8.482 2.710 -5.078 1.00 0.00 O ATOM 1404 CB VAL A 94 7.385 0.120 -6.851 1.00 0.00 C ATOM 1405 CG1 VAL A 94 7.802 -0.437 -5.485 1.00 0.00 C ATOM 1406 CG2 VAL A 94 5.936 -0.318 -7.086 1.00 0.00 C ATOM 0 H VAL A 94 7.177 1.437 -8.993 1.00 0.00 H new ATOM 0 HA VAL A 94 6.602 1.980 -6.314 1.00 0.00 H new ATOM 0 HB VAL A 94 8.068 -0.259 -7.611 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.735 -1.525 -5.500 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.828 -0.140 -5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.140 -0.043 -4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.874 -1.406 -7.047 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.297 0.110 -6.314 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.605 0.030 -8.065 1.00 0.00 H new ATOM 1416 N GLN A 95 9.803 2.456 -6.880 1.00 0.00 N ATOM 1417 CA GLN A 95 10.944 3.135 -6.266 1.00 0.00 C ATOM 1418 C GLN A 95 10.630 4.509 -5.682 1.00 0.00 C ATOM 1419 O GLN A 95 11.145 4.832 -4.622 1.00 0.00 O ATOM 1420 CB GLN A 95 12.139 3.244 -7.230 1.00 0.00 C ATOM 1421 CG GLN A 95 13.421 3.648 -6.475 1.00 0.00 C ATOM 1422 CD GLN A 95 14.643 3.767 -7.378 1.00 0.00 C ATOM 1423 OE1 GLN A 95 14.901 2.904 -8.216 1.00 0.00 O ATOM 1424 NE2 GLN A 95 15.469 4.781 -7.182 1.00 0.00 N ATOM 0 H GLN A 95 9.963 2.138 -7.836 1.00 0.00 H new ATOM 0 HA GLN A 95 11.209 2.493 -5.426 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.294 2.289 -7.733 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.921 3.980 -8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.254 4.602 -5.975 1.00 0.00 H new ATOM 0 HG3 GLN A 95 13.623 2.911 -5.697 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.247 5.492 -6.485 1.00 0.00 H new ATOM 0 HE22 GLN A 95 16.328 4.852 -7.728 1.00 0.00 H new ATOM 1433 N GLU A 96 9.809 5.314 -6.337 1.00 0.00 N ATOM 1434 CA GLU A 96 9.504 6.684 -5.982 1.00 0.00 C ATOM 1435 C GLU A 96 8.770 6.687 -4.661 1.00 0.00 C ATOM 1436 O GLU A 96 9.166 7.425 -3.774 1.00 0.00 O ATOM 1437 CB GLU A 96 8.591 7.259 -7.061 1.00 0.00 C ATOM 1438 CG GLU A 96 9.226 7.367 -8.450 1.00 0.00 C ATOM 1439 CD GLU A 96 10.484 8.241 -8.538 1.00 0.00 C ATOM 1440 OE1 GLU A 96 10.448 9.393 -8.036 1.00 0.00 O ATOM 1441 OE2 GLU A 96 11.462 7.795 -9.183 1.00 0.00 O ATOM 0 H GLU A 96 9.313 5.010 -7.175 1.00 0.00 H new ATOM 0 HA GLU A 96 10.415 7.276 -5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.699 6.636 -7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.263 8.251 -6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.478 6.364 -8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.481 7.763 -9.140 1.00 0.00 H new ATOM 1448 N ALA A 97 7.761 5.823 -4.489 1.00 0.00 N ATOM 1449 CA ALA A 97 7.114 5.629 -3.207 1.00 0.00 C ATOM 1450 C ALA A 97 8.124 5.427 -2.063 1.00 0.00 C ATOM 1451 O ALA A 97 7.873 5.875 -0.948 1.00 0.00 O ATOM 1452 CB ALA A 97 6.144 4.448 -3.351 1.00 0.00 C ATOM 0 H ALA A 97 7.379 5.246 -5.238 1.00 0.00 H new ATOM 0 HA ALA A 97 6.562 6.528 -2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.639 4.274 -2.401 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.405 4.676 -4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.699 3.554 -3.636 1.00 0.00 H new ATOM 1458 N ILE A 98 9.258 4.776 -2.319 1.00 0.00 N ATOM 1459 CA ILE A 98 10.256 4.446 -1.306 1.00 0.00 C ATOM 1460 C ILE A 98 11.181 5.630 -1.153 1.00 0.00 C ATOM 1461 O ILE A 98 11.270 6.156 -0.064 1.00 0.00 O ATOM 1462 CB ILE A 98 11.101 3.209 -1.688 1.00 0.00 C ATOM 1463 CG1 ILE A 98 10.306 2.166 -2.453 1.00 0.00 C ATOM 1464 CG2 ILE A 98 11.788 2.600 -0.453 1.00 0.00 C ATOM 1465 CD1 ILE A 98 9.030 1.670 -1.780 1.00 0.00 C ATOM 0 H ILE A 98 9.512 4.458 -3.254 1.00 0.00 H new ATOM 0 HA ILE A 98 9.731 4.214 -0.379 1.00 0.00 H new ATOM 0 HB ILE A 98 11.877 3.561 -2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.042 2.581 -3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.953 1.308 -2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.375 1.732 -0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.445 3.342 0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.032 2.294 0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.547 0.929 -2.417 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.277 1.217 -0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.353 2.509 -1.621 1.00 0.00 H new ATOM 1477 N ASP A 99 11.840 6.049 -2.230 1.00 0.00 N ATOM 1478 CA ASP A 99 12.804 7.140 -2.325 1.00 0.00 C ATOM 1479 C ASP A 99 12.192 8.427 -1.797 1.00 0.00 C ATOM 1480 O ASP A 99 12.888 9.308 -1.297 1.00 0.00 O ATOM 1481 CB ASP A 99 13.223 7.328 -3.803 1.00 0.00 C ATOM 1482 CG ASP A 99 14.529 6.629 -4.190 1.00 0.00 C ATOM 1483 OD1 ASP A 99 15.086 5.847 -3.389 1.00 0.00 O ATOM 1484 OD2 ASP A 99 15.002 6.860 -5.328 1.00 0.00 O ATOM 0 H ASP A 99 11.701 5.596 -3.133 1.00 0.00 H new ATOM 0 HA ASP A 99 13.681 6.896 -1.725 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.424 6.956 -4.444 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.323 8.394 -4.006 1.00 0.00 H new ATOM 1489 N ALA A 100 10.870 8.548 -1.917 1.00 0.00 N ATOM 1490 CA ALA A 100 10.136 9.657 -1.347 1.00 0.00 C ATOM 1491 C ALA A 100 10.084 9.464 0.169 1.00 0.00 C ATOM 1492 O ALA A 100 10.590 10.295 0.910 1.00 0.00 O ATOM 1493 CB ALA A 100 8.754 9.748 -2.006 1.00 0.00 C ATOM 0 H ALA A 100 10.286 7.875 -2.414 1.00 0.00 H new ATOM 0 HA ALA A 100 10.626 10.612 -1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.201 10.583 -1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.872 9.903 -3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.206 8.822 -1.832 1.00 0.00 H new ATOM 1499 N PHE A 101 9.493 8.368 0.642 1.00 0.00 N ATOM 1500 CA PHE A 101 9.323 8.056 2.061 1.00 0.00 C ATOM 1501 C PHE A 101 10.640 8.046 2.838 1.00 0.00 C ATOM 1502 O PHE A 101 10.719 8.601 3.937 1.00 0.00 O ATOM 1503 CB PHE A 101 8.628 6.689 2.173 1.00 0.00 C ATOM 1504 CG PHE A 101 8.820 5.949 3.490 1.00 0.00 C ATOM 1505 CD1 PHE A 101 8.308 6.486 4.685 1.00 0.00 C ATOM 1506 CD2 PHE A 101 9.562 4.747 3.531 1.00 0.00 C ATOM 1507 CE1 PHE A 101 8.551 5.844 5.913 1.00 0.00 C ATOM 1508 CE2 PHE A 101 9.749 4.076 4.754 1.00 0.00 C ATOM 1509 CZ PHE A 101 9.259 4.631 5.948 1.00 0.00 C ATOM 0 H PHE A 101 9.107 7.650 0.029 1.00 0.00 H new ATOM 0 HA PHE A 101 8.717 8.843 2.510 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.560 6.832 2.012 1.00 0.00 H new ATOM 0 HB3 PHE A 101 8.989 6.053 1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 101 7.726 7.395 4.660 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.986 4.343 2.623 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.192 6.285 6.831 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.271 3.131 4.775 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.426 4.127 6.889 1.00 0.00 H new ATOM 1519 N SER A 102 11.646 7.359 2.316 1.00 0.00 N ATOM 1520 CA SER A 102 12.888 7.071 2.999 1.00 0.00 C ATOM 1521 C SER A 102 13.726 8.335 3.109 1.00 0.00 C ATOM 1522 O SER A 102 14.375 8.539 4.134 1.00 0.00 O ATOM 1523 CB SER A 102 13.587 5.916 2.276 1.00 0.00 C ATOM 1524 OG SER A 102 14.031 6.238 0.975 1.00 0.00 O ATOM 0 H SER A 102 11.613 6.976 1.371 1.00 0.00 H new ATOM 0 HA SER A 102 12.713 6.746 4.025 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.441 5.592 2.871 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.902 5.070 2.216 1.00 0.00 H new ATOM 0 HG SER A 102 13.263 6.280 0.368 1.00 0.00 H new ATOM 1530 N GLU A 103 13.610 9.249 2.139 1.00 0.00 N ATOM 1531 CA GLU A 103 14.209 10.573 2.246 1.00 0.00 C ATOM 1532 C GLU A 103 13.090 11.594 2.553 1.00 0.00 C ATOM 1533 O GLU A 103 13.189 12.791 2.274 1.00 0.00 O ATOM 1534 CB GLU A 103 14.964 10.841 0.929 1.00 0.00 C ATOM 1535 CG GLU A 103 15.912 9.700 0.456 1.00 0.00 C ATOM 1536 CD GLU A 103 17.398 10.097 0.390 1.00 0.00 C ATOM 1537 OE1 GLU A 103 17.923 10.756 1.324 1.00 0.00 O ATOM 1538 OE2 GLU A 103 18.067 9.716 -0.606 1.00 0.00 O ATOM 0 H GLU A 103 13.103 9.089 1.269 1.00 0.00 H new ATOM 0 HA GLU A 103 14.929 10.656 3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 103 14.233 11.031 0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.551 11.752 1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.805 8.851 1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.593 9.365 -0.531 1.00 0.00 H new ATOM 1545 N GLY A 104 12.120 11.140 3.352 1.00 0.00 N ATOM 1546 CA GLY A 104 11.070 11.835 4.077 1.00 0.00 C ATOM 1547 C GLY A 104 9.992 12.609 3.314 1.00 0.00 C ATOM 1548 O GLY A 104 9.100 13.126 3.990 1.00 0.00 O ATOM 0 H GLY A 104 12.051 10.137 3.523 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.561 11.096 4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.555 12.538 4.754 1.00 0.00 H new ATOM 1552 N ARG A 105 10.008 12.717 1.985 1.00 0.00 N ATOM 1553 CA ARG A 105 9.155 13.619 1.198 1.00 0.00 C ATOM 1554 C ARG A 105 7.735 13.086 0.981 1.00 0.00 C ATOM 1555 O ARG A 105 7.152 13.301 -0.084 1.00 0.00 O ATOM 1556 CB ARG A 105 9.793 13.823 -0.184 1.00 0.00 C ATOM 1557 CG ARG A 105 11.121 14.580 -0.177 1.00 0.00 C ATOM 1558 CD ARG A 105 11.421 14.957 -1.628 1.00 0.00 C ATOM 1559 NE ARG A 105 12.668 15.715 -1.744 1.00 0.00 N ATOM 1560 CZ ARG A 105 13.555 15.632 -2.736 1.00 0.00 C ATOM 1561 NH1 ARG A 105 13.463 14.706 -3.689 1.00 0.00 N ATOM 1562 NH2 ARG A 105 14.538 16.514 -2.750 1.00 0.00 N ATOM 0 H ARG A 105 10.635 12.161 1.404 1.00 0.00 H new ATOM 0 HA ARG A 105 9.078 14.547 1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 105 9.951 12.847 -0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.088 14.362 -0.817 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.055 15.470 0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 105 11.918 13.960 0.234 1.00 0.00 H new ATOM 0 HD2 ARG A 105 11.487 14.053 -2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 105 10.597 15.548 -2.028 1.00 0.00 H new ATOM 0 HE ARG A 105 12.879 16.371 -0.992 1.00 0.00 H new ATOM 0 HH11 ARG A 105 12.697 14.033 -3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 105 14.159 14.670 -4.434 1.00 0.00 H new ATOM 0 HH21 ARG A 105 14.597 17.223 -2.019 1.00 0.00 H new ATOM 0 HH22 ARG A 105 15.238 16.486 -3.491 1.00 0.00 H new ATOM 1576 N LEU A 106 7.134 12.441 1.975 1.00 0.00 N ATOM 1577 CA LEU A 106 5.758 11.973 1.901 1.00 0.00 C ATOM 1578 C LEU A 106 4.966 12.588 3.064 1.00 0.00 C ATOM 1579 O LEU A 106 5.418 13.565 3.671 1.00 0.00 O ATOM 1580 CB LEU A 106 5.736 10.431 1.815 1.00 0.00 C ATOM 1581 CG LEU A 106 6.167 9.813 0.460 1.00 0.00 C ATOM 1582 CD1 LEU A 106 5.818 8.320 0.447 1.00 0.00 C ATOM 1583 CD2 LEU A 106 5.530 10.443 -0.791 1.00 0.00 C ATOM 0 H LEU A 106 7.593 12.228 2.861 1.00 0.00 H new ATOM 0 HA LEU A 106 5.256 12.307 0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.387 10.035 2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.726 10.090 2.041 1.00 0.00 H new ATOM 0 HG LEU A 106 7.238 10.006 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.120 7.884 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.342 7.817 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.743 8.197 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.900 9.936 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.446 10.340 -0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.792 11.500 -0.840 1.00 0.00 H new ATOM 1595 N GLU A 107 3.763 12.085 3.345 1.00 0.00 N ATOM 1596 CA GLU A 107 2.882 12.548 4.426 1.00 0.00 C ATOM 1597 C GLU A 107 2.284 11.330 5.117 1.00 0.00 C ATOM 1598 O GLU A 107 2.015 10.344 4.438 1.00 0.00 O ATOM 1599 CB GLU A 107 1.707 13.375 3.878 1.00 0.00 C ATOM 1600 CG GLU A 107 2.136 14.450 2.880 1.00 0.00 C ATOM 1601 CD GLU A 107 0.976 15.340 2.412 1.00 0.00 C ATOM 1602 OE1 GLU A 107 -0.050 15.463 3.132 1.00 0.00 O ATOM 1603 OE2 GLU A 107 1.063 15.904 1.295 1.00 0.00 O ATOM 0 H GLU A 107 3.358 11.317 2.809 1.00 0.00 H new ATOM 0 HA GLU A 107 3.474 13.162 5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.995 12.706 3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.186 13.849 4.710 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.903 15.075 3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.590 13.971 2.013 1.00 0.00 H new ATOM 1610 N GLU A 108 2.008 11.397 6.416 1.00 0.00 N ATOM 1611 CA GLU A 108 1.358 10.359 7.196 1.00 0.00 C ATOM 1612 C GLU A 108 -0.142 10.468 6.960 1.00 0.00 C ATOM 1613 O GLU A 108 -0.824 11.354 7.481 1.00 0.00 O ATOM 1614 CB GLU A 108 1.753 10.589 8.665 1.00 0.00 C ATOM 1615 CG GLU A 108 1.296 9.492 9.632 1.00 0.00 C ATOM 1616 CD GLU A 108 2.301 9.268 10.757 1.00 0.00 C ATOM 1617 OE1 GLU A 108 3.450 8.875 10.455 1.00 0.00 O ATOM 1618 OE2 GLU A 108 1.926 9.342 11.954 1.00 0.00 O ATOM 0 H GLU A 108 2.244 12.216 6.976 1.00 0.00 H new ATOM 0 HA GLU A 108 1.661 9.351 6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.838 10.678 8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.336 11.541 8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.330 9.763 10.058 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.153 8.561 9.083 1.00 0.00 H new ATOM 1625 N LEU A 109 -0.647 9.594 6.105 1.00 0.00 N ATOM 1626 CA LEU A 109 -2.025 9.533 5.682 1.00 0.00 C ATOM 1627 C LEU A 109 -2.711 8.455 6.509 1.00 0.00 C ATOM 1628 O LEU A 109 -3.072 7.427 5.960 1.00 0.00 O ATOM 1629 CB LEU A 109 -2.063 9.252 4.173 1.00 0.00 C ATOM 1630 CG LEU A 109 -3.462 9.492 3.578 1.00 0.00 C ATOM 1631 CD1 LEU A 109 -3.792 10.976 3.384 1.00 0.00 C ATOM 1632 CD2 LEU A 109 -3.594 8.758 2.246 1.00 0.00 C ATOM 0 H LEU A 109 -0.072 8.873 5.668 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.555 10.472 5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.339 9.891 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.762 8.221 3.988 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.178 9.101 4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.792 11.074 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.753 11.486 4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.066 11.425 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.587 8.933 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.840 9.127 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.450 7.689 2.404 1.00 0.00 H new ATOM 1644 N THR A 110 -2.893 8.626 7.821 1.00 0.00 N ATOM 1645 CA THR A 110 -3.453 7.546 8.646 1.00 0.00 C ATOM 1646 C THR A 110 -4.908 7.867 9.018 1.00 0.00 C ATOM 1647 O THR A 110 -5.392 7.523 10.097 1.00 0.00 O ATOM 1648 CB THR A 110 -2.523 7.363 9.866 1.00 0.00 C ATOM 1649 OG1 THR A 110 -2.410 8.545 10.646 1.00 0.00 O ATOM 1650 CG2 THR A 110 -1.112 6.971 9.406 1.00 0.00 C ATOM 0 H THR A 110 -2.667 9.481 8.329 1.00 0.00 H new ATOM 0 HA THR A 110 -3.494 6.600 8.106 1.00 0.00 H new ATOM 0 HB THR A 110 -2.971 6.578 10.476 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.814 8.380 11.406 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.467 6.845 10.276 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.158 6.035 8.850 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.708 7.754 8.765 1.00 0.00 H new ATOM 1658 N THR A 111 -5.641 8.478 8.086 1.00 0.00 N ATOM 1659 CA THR A 111 -6.714 9.412 8.434 1.00 0.00 C ATOM 1660 C THR A 111 -7.573 9.734 7.196 1.00 0.00 C ATOM 1661 O THR A 111 -8.058 10.854 7.001 1.00 0.00 O ATOM 1662 CB THR A 111 -6.055 10.708 8.989 1.00 0.00 C ATOM 1663 OG1 THR A 111 -4.916 11.042 8.202 1.00 0.00 O ATOM 1664 CG2 THR A 111 -5.616 10.614 10.455 1.00 0.00 C ATOM 0 H THR A 111 -5.511 8.343 7.083 1.00 0.00 H new ATOM 0 HA THR A 111 -7.370 8.969 9.184 1.00 0.00 H new ATOM 0 HB THR A 111 -6.827 11.476 8.934 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.504 11.859 8.553 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.167 11.559 10.762 1.00 0.00 H new ATOM 0 HG22 THR A 111 -6.483 10.404 11.082 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.885 9.813 10.565 1.00 0.00 H new ATOM 1672 N PHE A 112 -7.815 8.742 6.347 1.00 0.00 N ATOM 1673 CA PHE A 112 -8.420 8.881 5.026 1.00 0.00 C ATOM 1674 C PHE A 112 -9.619 7.959 4.966 1.00 0.00 C ATOM 1675 O PHE A 112 -9.769 7.087 5.814 1.00 0.00 O ATOM 1676 CB PHE A 112 -7.405 8.495 3.946 1.00 0.00 C ATOM 1677 CG PHE A 112 -6.851 7.090 4.113 1.00 0.00 C ATOM 1678 CD1 PHE A 112 -5.797 6.880 5.009 1.00 0.00 C ATOM 1679 CD2 PHE A 112 -7.416 5.986 3.452 1.00 0.00 C ATOM 1680 CE1 PHE A 112 -5.251 5.602 5.194 1.00 0.00 C ATOM 1681 CE2 PHE A 112 -6.862 4.705 3.635 1.00 0.00 C ATOM 1682 CZ PHE A 112 -5.753 4.521 4.468 1.00 0.00 C ATOM 0 H PHE A 112 -7.584 7.774 6.570 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.727 9.912 4.853 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -7.878 8.577 2.967 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -6.580 9.207 3.962 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.398 7.715 5.566 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -8.271 6.120 2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.444 5.454 5.896 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -7.297 3.856 3.128 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.289 3.549 4.549 1.00 0.00 H new ATOM 1692 N THR A 113 -10.465 8.095 3.961 1.00 0.00 N ATOM 1693 CA THR A 113 -11.715 7.368 3.955 1.00 0.00 C ATOM 1694 C THR A 113 -12.078 7.044 2.511 1.00 0.00 C ATOM 1695 O THR A 113 -11.279 7.163 1.571 1.00 0.00 O ATOM 1696 CB THR A 113 -12.788 8.173 4.744 1.00 0.00 C ATOM 1697 OG1 THR A 113 -12.631 9.572 4.607 1.00 0.00 O ATOM 1698 CG2 THR A 113 -12.770 7.864 6.243 1.00 0.00 C ATOM 0 H THR A 113 -10.310 8.694 3.150 1.00 0.00 H new ATOM 0 HA THR A 113 -11.640 6.411 4.472 1.00 0.00 H new ATOM 0 HB THR A 113 -13.735 7.858 4.306 1.00 0.00 H new ATOM 0 HG1 THR A 113 -13.329 10.031 5.119 1.00 0.00 H new ATOM 0 HG21 THR A 113 -13.538 8.452 6.745 1.00 0.00 H new ATOM 0 HG22 THR A 113 -12.966 6.803 6.398 1.00 0.00 H new ATOM 0 HG23 THR A 113 -11.793 8.116 6.655 1.00 0.00 H new ATOM 1706 N ARG A 114 -13.305 6.580 2.363 1.00 0.00 N ATOM 1707 CA ARG A 114 -14.075 6.640 1.148 1.00 0.00 C ATOM 1708 C ARG A 114 -15.355 7.352 1.511 1.00 0.00 C ATOM 1709 O ARG A 114 -15.793 7.273 2.666 1.00 0.00 O ATOM 1710 CB ARG A 114 -14.251 5.218 0.610 1.00 0.00 C ATOM 1711 CG ARG A 114 -14.970 4.224 1.552 1.00 0.00 C ATOM 1712 CD ARG A 114 -16.498 4.330 1.481 1.00 0.00 C ATOM 1713 NE ARG A 114 -17.171 3.600 2.560 1.00 0.00 N ATOM 1714 CZ ARG A 114 -17.287 3.973 3.838 1.00 0.00 C ATOM 1715 NH1 ARG A 114 -16.772 5.119 4.276 1.00 0.00 N ATOM 1716 NH2 ARG A 114 -17.933 3.169 4.665 1.00 0.00 N ATOM 0 H ARG A 114 -13.810 6.131 3.127 1.00 0.00 H new ATOM 0 HA ARG A 114 -13.601 7.192 0.337 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -14.808 5.270 -0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -13.266 4.816 0.372 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -14.670 3.208 1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -14.646 4.404 2.577 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -16.787 5.380 1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -16.840 3.945 0.520 1.00 0.00 H new ATOM 0 HE ARG A 114 -17.598 2.709 2.307 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -16.276 5.734 3.632 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -16.874 5.382 5.256 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -18.326 2.293 4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -18.039 3.425 5.647 1.00 0.00 H new ATOM 1730 N GLU A 115 -15.992 7.960 0.531 1.00 0.00 N ATOM 1731 CA GLU A 115 -17.310 8.532 0.675 1.00 0.00 C ATOM 1732 C GLU A 115 -18.204 7.682 -0.214 1.00 0.00 C ATOM 1733 O GLU A 115 -18.335 7.943 -1.410 1.00 0.00 O ATOM 1734 CB GLU A 115 -17.237 10.013 0.309 1.00 0.00 C ATOM 1735 CG GLU A 115 -18.542 10.741 0.622 1.00 0.00 C ATOM 1736 CD GLU A 115 -18.436 12.190 0.163 1.00 0.00 C ATOM 1737 OE1 GLU A 115 -18.412 12.425 -1.070 1.00 0.00 O ATOM 1738 OE2 GLU A 115 -18.380 13.096 1.028 1.00 0.00 O ATOM 0 H GLU A 115 -15.599 8.071 -0.404 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.718 8.516 1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -16.419 10.482 0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -17.010 10.114 -0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.375 10.249 0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.746 10.701 1.692 1.00 0.00 H new ATOM 1745 N GLY A 116 -18.715 6.588 0.338 1.00 0.00 N ATOM 1746 CA GLY A 116 -19.501 5.569 -0.342 1.00 0.00 C ATOM 1747 C GLY A 116 -19.638 4.366 0.568 1.00 0.00 C ATOM 1748 O GLY A 116 -19.235 3.264 0.137 1.00 0.00 O ATOM 0 H GLY A 116 -18.584 6.378 1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -20.485 5.961 -0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -19.018 5.282 -1.276 1.00 0.00 H new TER 1752 GLY A 116