USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 723 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 53 SER OG : rot 180:sc= -0.182 USER MOD Set 1.2: A 65 THR OG1 : rot -160:sc= -0.368 USER MOD Set 2.1: A 27 GLN : amide:sc= -6.97! C(o=-14!,f=-6.6!) USER MOD Set 2.2: A 30 THR OG1 : rot -140:sc= 0 USER MOD Set 2.3: A 32 TYR OH : rot -80:sc= -7.3! USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 8 THR OG1 : rot -158:sc= -5.94! USER MOD Single : A 10 SER OG : rot 125:sc= 0.0114 USER MOD Single : A 11 SER OG : rot 139:sc= -20.2! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 114:sc= 0.517 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -21.9! C(o=-22!,f=-21!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -5.96! C(o=-6!,f=-24!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.168 K(o=-0.17,f=-0.71) USER MOD Single : A 62 SER OG : rot 37:sc= 0.3 USER MOD Single : A 64 SER OG : rot 180:sc= -0.397 USER MOD Single : A 66 SER OG : rot 180:sc= 0.00147 USER MOD Single : A 68 THR OG1 : rot 140:sc= -0.84 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 94:sc= 0.112 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -10.1! C(o=-10!,f=-8.5!) USER MOD Single : A 111 SER OG : rot 178:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.0634 X(o=-0.063,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 2 2.920 12.720 -5.063 1.00 0.00 N ATOM 12 CA ALA A 2 3.530 11.610 -4.359 1.00 0.00 C ATOM 13 C ALA A 2 4.882 12.032 -3.803 1.00 0.00 C ATOM 14 O ALA A 2 5.799 12.340 -4.561 1.00 0.00 O ATOM 15 CB ALA A 2 3.682 10.428 -5.312 1.00 0.00 C ATOM 0 HA ALA A 2 2.895 11.309 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.141 9.592 -4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.701 10.130 -5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.313 10.717 -6.152 1.00 0.00 H new ATOM 21 N PRO A 3 5.004 12.045 -2.473 1.00 0.00 N ATOM 22 CA PRO A 3 6.213 12.417 -1.769 1.00 0.00 C ATOM 23 C PRO A 3 7.253 11.317 -1.925 1.00 0.00 C ATOM 24 O PRO A 3 7.012 10.324 -2.608 1.00 0.00 O ATOM 25 CB PRO A 3 5.786 12.564 -0.310 1.00 0.00 C ATOM 26 CG PRO A 3 4.632 11.569 -0.193 1.00 0.00 C ATOM 27 CD PRO A 3 3.947 11.689 -1.552 1.00 0.00 C ATOM 0 HA PRO A 3 6.661 13.335 -2.150 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.599 12.323 0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.468 13.581 -0.082 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.988 10.556 -0.007 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.958 11.825 0.624 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.473 10.751 -1.839 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.166 12.449 -1.535 1.00 0.00 H new ATOM 35 N THR A 4 8.414 11.496 -1.290 1.00 0.00 N ATOM 36 CA THR A 4 9.481 10.518 -1.364 1.00 0.00 C ATOM 37 C THR A 4 9.512 9.687 -0.090 1.00 0.00 C ATOM 38 O THR A 4 9.794 10.208 0.987 1.00 0.00 O ATOM 39 CB THR A 4 10.812 11.234 -1.576 1.00 0.00 C ATOM 40 OG1 THR A 4 11.617 10.478 -2.452 1.00 0.00 O ATOM 41 CG2 THR A 4 11.525 11.390 -0.236 1.00 0.00 C ATOM 0 H THR A 4 8.631 12.314 -0.720 1.00 0.00 H new ATOM 0 HA THR A 4 9.306 9.847 -2.205 1.00 0.00 H new ATOM 0 HB THR A 4 10.631 12.219 -2.007 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.471 10.938 -2.590 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.476 11.901 -0.387 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.902 11.974 0.442 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.707 10.406 0.196 1.00 0.00 H new ATOM 49 N ALA A 5 9.222 8.390 -0.215 1.00 0.00 N ATOM 50 CA ALA A 5 9.217 7.494 0.924 1.00 0.00 C ATOM 51 C ALA A 5 10.096 6.286 0.632 1.00 0.00 C ATOM 52 O ALA A 5 9.981 5.674 -0.427 1.00 0.00 O ATOM 53 CB ALA A 5 7.785 7.062 1.224 1.00 0.00 C ATOM 0 H ALA A 5 8.988 7.943 -1.102 1.00 0.00 H new ATOM 0 HA ALA A 5 9.617 8.007 1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.780 6.388 2.081 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.180 7.940 1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.370 6.549 0.356 1.00 0.00 H new ATOM 59 N THR A 6 10.975 5.942 1.576 1.00 0.00 N ATOM 60 CA THR A 6 11.865 4.810 1.412 1.00 0.00 C ATOM 61 C THR A 6 11.258 3.576 2.063 1.00 0.00 C ATOM 62 O THR A 6 11.137 3.511 3.285 1.00 0.00 O ATOM 63 CB THR A 6 13.221 5.137 2.031 1.00 0.00 C ATOM 64 OG1 THR A 6 13.033 5.920 3.188 1.00 0.00 O ATOM 65 CG2 THR A 6 14.067 5.911 1.024 1.00 0.00 C ATOM 0 H THR A 6 11.083 6.438 2.461 1.00 0.00 H new ATOM 0 HA THR A 6 12.005 4.603 0.351 1.00 0.00 H new ATOM 0 HB THR A 6 13.731 4.211 2.298 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.904 6.129 3.587 1.00 0.00 H new ATOM 0 HG21 THR A 6 15.036 6.145 1.466 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.213 5.305 0.130 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.558 6.837 0.756 1.00 0.00 H new ATOM 73 N VAL A 7 10.876 2.594 1.243 1.00 0.00 N ATOM 74 CA VAL A 7 10.286 1.368 1.740 1.00 0.00 C ATOM 75 C VAL A 7 11.227 0.201 1.480 1.00 0.00 C ATOM 76 O VAL A 7 11.979 0.212 0.508 1.00 0.00 O ATOM 77 CB VAL A 7 8.939 1.140 1.059 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.243 2.481 0.847 1.00 0.00 C ATOM 79 CG2 VAL A 7 9.161 0.463 -0.291 1.00 0.00 C ATOM 0 H VAL A 7 10.969 2.633 0.228 1.00 0.00 H new ATOM 0 HA VAL A 7 10.125 1.446 2.815 1.00 0.00 H new ATOM 0 HB VAL A 7 8.317 0.503 1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.281 2.319 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.085 2.965 1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.865 3.118 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.200 0.300 -0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.783 1.100 -0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.659 -0.495 -0.140 1.00 0.00 H new ATOM 89 N THR A 8 11.184 -0.810 2.351 1.00 0.00 N ATOM 90 CA THR A 8 12.032 -1.976 2.206 1.00 0.00 C ATOM 91 C THR A 8 11.595 -2.788 0.995 1.00 0.00 C ATOM 92 O THR A 8 10.645 -2.421 0.308 1.00 0.00 O ATOM 93 CB THR A 8 11.958 -2.818 3.477 1.00 0.00 C ATOM 94 OG1 THR A 8 13.238 -3.325 3.779 1.00 0.00 O ATOM 95 CG2 THR A 8 10.989 -3.978 3.263 1.00 0.00 C ATOM 0 H THR A 8 10.567 -0.836 3.163 1.00 0.00 H new ATOM 0 HA THR A 8 13.064 -1.662 2.052 1.00 0.00 H new ATOM 0 HB THR A 8 11.607 -2.199 4.303 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.150 -4.115 4.352 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.936 -4.580 4.170 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.999 -3.587 3.028 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.339 -4.597 2.437 1.00 0.00 H new ATOM 103 N PRO A 9 12.293 -3.896 0.736 1.00 0.00 N ATOM 104 CA PRO A 9 12.023 -4.791 -0.369 1.00 0.00 C ATOM 105 C PRO A 9 10.748 -5.574 -0.090 1.00 0.00 C ATOM 106 O PRO A 9 10.660 -6.285 0.908 1.00 0.00 O ATOM 107 CB PRO A 9 13.234 -5.719 -0.427 1.00 0.00 C ATOM 108 CG PRO A 9 13.686 -5.777 1.032 1.00 0.00 C ATOM 109 CD PRO A 9 13.416 -4.357 1.523 1.00 0.00 C ATOM 0 HA PRO A 9 11.875 -4.267 -1.313 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.970 -6.705 -0.808 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.015 -5.325 -1.077 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.123 -6.516 1.601 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.740 -6.042 1.119 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.183 -4.345 2.588 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.287 -3.718 1.380 1.00 0.00 H new ATOM 117 N SER A 10 9.758 -5.442 -0.976 1.00 0.00 N ATOM 118 CA SER A 10 8.496 -6.136 -0.820 1.00 0.00 C ATOM 119 C SER A 10 8.365 -7.215 -1.886 1.00 0.00 C ATOM 120 O SER A 10 7.335 -7.880 -1.976 1.00 0.00 O ATOM 121 CB SER A 10 7.349 -5.134 -0.921 1.00 0.00 C ATOM 122 OG SER A 10 7.871 -3.847 -1.162 1.00 0.00 O ATOM 0 H SER A 10 9.815 -4.856 -1.809 1.00 0.00 H new ATOM 0 HA SER A 10 8.458 -6.614 0.159 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.671 -5.420 -1.725 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.768 -5.136 0.001 1.00 0.00 H new ATOM 0 HG SER A 10 7.455 -3.470 -1.965 1.00 0.00 H new ATOM 128 N SER A 11 9.413 -7.388 -2.694 1.00 0.00 N ATOM 129 CA SER A 11 9.410 -8.385 -3.746 1.00 0.00 C ATOM 130 C SER A 11 10.379 -9.506 -3.398 1.00 0.00 C ATOM 131 O SER A 11 11.550 -9.254 -3.124 1.00 0.00 O ATOM 132 CB SER A 11 9.794 -7.729 -5.069 1.00 0.00 C ATOM 133 OG SER A 11 8.819 -6.771 -5.419 1.00 0.00 O ATOM 0 H SER A 11 10.274 -6.844 -2.633 1.00 0.00 H new ATOM 0 HA SER A 11 8.412 -8.812 -3.844 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.771 -7.254 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.875 -8.484 -5.851 1.00 0.00 H new ATOM 0 HG SER A 11 9.259 -5.972 -5.778 1.00 0.00 H new ATOM 139 N GLY A 12 9.889 -10.748 -3.411 1.00 0.00 N ATOM 140 CA GLY A 12 10.717 -11.895 -3.098 1.00 0.00 C ATOM 141 C GLY A 12 10.413 -12.397 -1.693 1.00 0.00 C ATOM 142 O GLY A 12 11.077 -13.305 -1.198 1.00 0.00 O ATOM 0 H GLY A 12 8.921 -10.976 -3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.538 -12.690 -3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.770 -11.624 -3.175 1.00 0.00 H new ATOM 146 N LEU A 13 9.405 -11.803 -1.051 1.00 0.00 N ATOM 147 CA LEU A 13 9.018 -12.190 0.291 1.00 0.00 C ATOM 148 C LEU A 13 7.623 -12.798 0.271 1.00 0.00 C ATOM 149 O LEU A 13 6.779 -12.395 -0.526 1.00 0.00 O ATOM 150 CB LEU A 13 9.062 -10.969 1.205 1.00 0.00 C ATOM 151 CG LEU A 13 8.367 -9.796 0.521 1.00 0.00 C ATOM 152 CD1 LEU A 13 6.886 -9.797 0.890 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.005 -8.488 0.980 1.00 0.00 C ATOM 0 H LEU A 13 8.844 -11.049 -1.448 1.00 0.00 H new ATOM 0 HA LEU A 13 9.713 -12.938 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.572 -11.193 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.096 -10.710 1.434 1.00 0.00 H new ATOM 0 HG LEU A 13 8.472 -9.891 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.389 -8.959 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.430 -10.731 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.780 -9.702 1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.508 -7.650 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.900 -8.392 2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.063 -8.487 0.716 1.00 0.00 H new ATOM 165 N SER A 14 7.382 -13.772 1.152 1.00 0.00 N ATOM 166 CA SER A 14 6.092 -14.428 1.232 1.00 0.00 C ATOM 167 C SER A 14 5.278 -13.831 2.371 1.00 0.00 C ATOM 168 O SER A 14 5.795 -13.042 3.159 1.00 0.00 O ATOM 169 CB SER A 14 6.296 -15.926 1.439 1.00 0.00 C ATOM 170 OG SER A 14 6.972 -16.143 2.657 1.00 0.00 O ATOM 0 H SER A 14 8.072 -14.119 1.819 1.00 0.00 H new ATOM 0 HA SER A 14 5.544 -14.275 0.302 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.333 -16.437 1.449 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.871 -16.344 0.612 1.00 0.00 H new ATOM 0 HG SER A 14 7.102 -17.105 2.792 1.00 0.00 H new ATOM 176 N ASP A 15 4.002 -14.212 2.458 1.00 0.00 N ATOM 177 CA ASP A 15 3.125 -13.714 3.499 1.00 0.00 C ATOM 178 C ASP A 15 3.841 -13.761 4.841 1.00 0.00 C ATOM 179 O ASP A 15 4.719 -14.595 5.049 1.00 0.00 O ATOM 180 CB ASP A 15 1.851 -14.554 3.535 1.00 0.00 C ATOM 181 CG ASP A 15 1.095 -14.340 4.838 1.00 0.00 C ATOM 182 OD1 ASP A 15 0.866 -13.158 5.174 1.00 0.00 O ATOM 183 OD2 ASP A 15 0.761 -15.362 5.475 1.00 0.00 O ATOM 0 H ASP A 15 3.559 -14.867 1.813 1.00 0.00 H new ATOM 0 HA ASP A 15 2.855 -12.679 3.289 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.213 -14.290 2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.103 -15.609 3.425 1.00 0.00 H new ATOM 188 N GLY A 16 3.464 -12.862 5.754 1.00 0.00 N ATOM 189 CA GLY A 16 4.074 -12.811 7.068 1.00 0.00 C ATOM 190 C GLY A 16 5.237 -11.828 7.071 1.00 0.00 C ATOM 191 O GLY A 16 5.625 -11.325 8.123 1.00 0.00 O ATOM 0 H GLY A 16 2.738 -12.163 5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.333 -12.511 7.809 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.426 -13.803 7.352 1.00 0.00 H new ATOM 195 N THR A 17 5.793 -11.555 5.888 1.00 0.00 N ATOM 196 CA THR A 17 6.906 -10.635 5.765 1.00 0.00 C ATOM 197 C THR A 17 6.439 -9.215 6.052 1.00 0.00 C ATOM 198 O THR A 17 5.363 -8.812 5.615 1.00 0.00 O ATOM 199 CB THR A 17 7.495 -10.737 4.361 1.00 0.00 C ATOM 200 OG1 THR A 17 7.859 -12.074 4.101 1.00 0.00 O ATOM 201 CG2 THR A 17 8.730 -9.845 4.262 1.00 0.00 C ATOM 0 H THR A 17 5.484 -11.963 5.006 1.00 0.00 H new ATOM 0 HA THR A 17 7.678 -10.894 6.490 1.00 0.00 H new ATOM 0 HB THR A 17 6.753 -10.413 3.631 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.289 -12.436 3.391 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.152 -9.917 3.259 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.449 -8.811 4.464 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.472 -10.169 4.992 1.00 0.00 H new ATOM 209 N VAL A 18 7.253 -8.456 6.789 1.00 0.00 N ATOM 210 CA VAL A 18 6.922 -7.087 7.131 1.00 0.00 C ATOM 211 C VAL A 18 7.739 -6.131 6.273 1.00 0.00 C ATOM 212 O VAL A 18 8.949 -6.294 6.139 1.00 0.00 O ATOM 213 CB VAL A 18 7.198 -6.853 8.613 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.704 -6.850 8.857 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.611 -5.508 9.033 1.00 0.00 C ATOM 0 H VAL A 18 8.148 -8.776 7.158 1.00 0.00 H new ATOM 0 HA VAL A 18 5.865 -6.905 6.939 1.00 0.00 H new ATOM 0 HB VAL A 18 6.738 -7.649 9.198 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.901 -6.683 9.916 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.123 -7.811 8.557 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.166 -6.054 8.272 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.808 -5.340 10.092 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.071 -4.712 8.448 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.535 -5.511 8.860 1.00 0.00 H new ATOM 225 N VAL A 19 7.072 -5.131 5.692 1.00 0.00 N ATOM 226 CA VAL A 19 7.736 -4.155 4.852 1.00 0.00 C ATOM 227 C VAL A 19 7.898 -2.846 5.612 1.00 0.00 C ATOM 228 O VAL A 19 7.309 -2.667 6.675 1.00 0.00 O ATOM 229 CB VAL A 19 6.923 -3.944 3.578 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.716 -3.074 2.607 1.00 0.00 C ATOM 231 CG2 VAL A 19 6.634 -5.295 2.930 1.00 0.00 C ATOM 0 H VAL A 19 6.068 -4.983 5.794 1.00 0.00 H new ATOM 0 HA VAL A 19 8.727 -4.518 4.579 1.00 0.00 H new ATOM 0 HB VAL A 19 5.983 -3.450 3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.136 -2.923 1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.924 -2.109 3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.656 -3.568 2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.053 -5.145 2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.574 -5.789 2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.068 -5.917 3.623 1.00 0.00 H new ATOM 241 N LYS A 20 8.699 -1.930 5.063 1.00 0.00 N ATOM 242 CA LYS A 20 8.931 -0.645 5.692 1.00 0.00 C ATOM 243 C LYS A 20 8.570 0.476 4.728 1.00 0.00 C ATOM 244 O LYS A 20 8.934 0.431 3.555 1.00 0.00 O ATOM 245 CB LYS A 20 10.394 -0.544 6.114 1.00 0.00 C ATOM 246 CG LYS A 20 10.472 -0.207 7.601 1.00 0.00 C ATOM 247 CD LYS A 20 10.465 1.308 7.780 1.00 0.00 C ATOM 248 CE LYS A 20 11.628 1.719 8.680 1.00 0.00 C ATOM 249 NZ LYS A 20 12.309 2.911 8.151 1.00 0.00 N ATOM 0 H LYS A 20 9.195 -2.063 4.182 1.00 0.00 H new ATOM 0 HA LYS A 20 8.302 -0.551 6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.907 -1.485 5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.900 0.224 5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.628 -0.650 8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.378 -0.631 8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.550 1.800 6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.520 1.629 8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.260 1.922 9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.338 0.896 8.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.095 3.170 8.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.679 2.706 7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.635 3.701 8.097 1.00 0.00 H new ATOM 263 N VAL A 21 7.851 1.484 5.227 1.00 0.00 N ATOM 264 CA VAL A 21 7.444 2.611 4.411 1.00 0.00 C ATOM 265 C VAL A 21 7.843 3.911 5.093 1.00 0.00 C ATOM 266 O VAL A 21 7.210 4.326 6.061 1.00 0.00 O ATOM 267 CB VAL A 21 5.935 2.557 4.187 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.221 3.166 5.390 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.579 3.347 2.931 1.00 0.00 C ATOM 0 H VAL A 21 7.542 1.535 6.198 1.00 0.00 H new ATOM 0 HA VAL A 21 7.943 2.564 3.443 1.00 0.00 H new ATOM 0 HB VAL A 21 5.622 1.520 4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.143 3.128 5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.476 2.603 6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.533 4.203 5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.502 3.309 2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.891 4.384 3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.090 2.913 2.071 1.00 0.00 H new ATOM 279 N ALA A 22 8.897 4.555 4.585 1.00 0.00 N ATOM 280 CA ALA A 22 9.375 5.802 5.146 1.00 0.00 C ATOM 281 C ALA A 22 9.116 6.940 4.169 1.00 0.00 C ATOM 282 O ALA A 22 9.683 6.965 3.079 1.00 0.00 O ATOM 283 CB ALA A 22 10.864 5.682 5.455 1.00 0.00 C ATOM 0 H ALA A 22 9.432 4.224 3.782 1.00 0.00 H new ATOM 0 HA ALA A 22 8.842 6.017 6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.225 6.620 5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.023 4.876 6.172 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.410 5.464 4.537 1.00 0.00 H new ATOM 289 N GLY A 23 8.258 7.884 4.561 1.00 0.00 N ATOM 290 CA GLY A 23 7.933 9.015 3.715 1.00 0.00 C ATOM 291 C GLY A 23 8.970 10.116 3.886 1.00 0.00 C ATOM 292 O GLY A 23 9.499 10.311 4.978 1.00 0.00 O ATOM 0 H GLY A 23 7.779 7.880 5.462 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.896 8.699 2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.943 9.395 3.968 1.00 0.00 H new ATOM 296 N ALA A 24 9.260 10.837 2.800 1.00 0.00 N ATOM 297 CA ALA A 24 10.231 11.912 2.833 1.00 0.00 C ATOM 298 C ALA A 24 9.808 13.018 1.877 1.00 0.00 C ATOM 299 O ALA A 24 9.813 12.827 0.663 1.00 0.00 O ATOM 300 CB ALA A 24 11.605 11.366 2.455 1.00 0.00 C ATOM 0 H ALA A 24 8.829 10.688 1.887 1.00 0.00 H new ATOM 0 HA ALA A 24 10.284 12.329 3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.337 12.174 2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.896 10.591 3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.565 10.943 1.451 1.00 0.00 H new ATOM 306 N GLY A 25 9.442 14.179 2.426 1.00 0.00 N ATOM 307 CA GLY A 25 9.019 15.304 1.616 1.00 0.00 C ATOM 308 C GLY A 25 7.500 15.399 1.597 1.00 0.00 C ATOM 309 O GLY A 25 6.921 15.925 0.649 1.00 0.00 O ATOM 0 H GLY A 25 9.433 14.356 3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.443 16.226 2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.396 15.191 0.599 1.00 0.00 H new ATOM 313 N LEU A 26 6.855 14.886 2.647 1.00 0.00 N ATOM 314 CA LEU A 26 5.410 14.914 2.746 1.00 0.00 C ATOM 315 C LEU A 26 4.966 16.182 3.462 1.00 0.00 C ATOM 316 O LEU A 26 5.752 17.112 3.628 1.00 0.00 O ATOM 317 CB LEU A 26 4.927 13.674 3.493 1.00 0.00 C ATOM 318 CG LEU A 26 5.997 12.589 3.421 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.543 12.318 4.820 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.387 11.309 2.857 1.00 0.00 C ATOM 0 H LEU A 26 7.321 14.446 3.440 1.00 0.00 H new ATOM 0 HA LEU A 26 4.974 14.913 1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.715 13.922 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.997 13.312 3.056 1.00 0.00 H new ATOM 0 HG LEU A 26 6.808 12.922 2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.307 11.543 4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.979 13.232 5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.733 11.986 5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.151 10.534 2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.576 10.976 3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.997 11.501 1.857 1.00 0.00 H new ATOM 332 N GLN A 27 3.701 16.217 3.888 1.00 0.00 N ATOM 333 CA GLN A 27 3.160 17.368 4.582 1.00 0.00 C ATOM 334 C GLN A 27 3.276 17.166 6.086 1.00 0.00 C ATOM 335 O GLN A 27 2.794 16.169 6.619 1.00 0.00 O ATOM 336 CB GLN A 27 1.703 17.568 4.174 1.00 0.00 C ATOM 337 CG GLN A 27 1.633 17.915 2.689 1.00 0.00 C ATOM 338 CD GLN A 27 1.657 16.656 1.835 1.00 0.00 C ATOM 339 OE1 GLN A 27 2.505 16.514 0.958 1.00 0.00 O ATOM 340 NE2 GLN A 27 0.721 15.739 2.094 1.00 0.00 N ATOM 0 H GLN A 27 3.037 15.454 3.759 1.00 0.00 H new ATOM 0 HA GLN A 27 3.726 18.260 4.311 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.131 16.662 4.374 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.255 18.366 4.766 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.723 18.480 2.486 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.473 18.557 2.421 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.038 15.903 2.833 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.690 14.875 1.553 1.00 0.00 H new ATOM 349 N ALA A 28 3.916 18.117 6.770 1.00 0.00 N ATOM 350 CA ALA A 28 4.092 18.039 8.206 1.00 0.00 C ATOM 351 C ALA A 28 2.736 18.092 8.895 1.00 0.00 C ATOM 352 O ALA A 28 1.875 18.882 8.515 1.00 0.00 O ATOM 353 CB ALA A 28 4.981 19.188 8.672 1.00 0.00 C ATOM 0 H ALA A 28 4.320 18.950 6.342 1.00 0.00 H new ATOM 0 HA ALA A 28 4.573 17.096 8.467 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.114 19.130 9.752 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.952 19.118 8.183 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.513 20.138 8.414 1.00 0.00 H new ATOM 359 N GLY A 29 2.546 17.247 9.912 1.00 0.00 N ATOM 360 CA GLY A 29 1.296 17.206 10.643 1.00 0.00 C ATOM 361 C GLY A 29 0.195 16.614 9.774 1.00 0.00 C ATOM 362 O GLY A 29 -0.975 16.638 10.148 1.00 0.00 O ATOM 0 H GLY A 29 3.249 16.585 10.241 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.415 16.609 11.547 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.018 18.212 10.959 1.00 0.00 H new ATOM 366 N THR A 30 0.573 16.083 8.609 1.00 0.00 N ATOM 367 CA THR A 30 -0.384 15.490 7.697 1.00 0.00 C ATOM 368 C THR A 30 -0.516 14.000 7.980 1.00 0.00 C ATOM 369 O THR A 30 0.467 13.336 8.301 1.00 0.00 O ATOM 370 CB THR A 30 0.070 15.728 6.260 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.056 15.967 5.445 1.00 0.00 O ATOM 372 CG2 THR A 30 0.814 14.497 5.750 1.00 0.00 C ATOM 0 H THR A 30 1.539 16.056 8.282 1.00 0.00 H new ATOM 0 HA THR A 30 -1.360 15.953 7.839 1.00 0.00 H new ATOM 0 HB THR A 30 0.733 16.592 6.227 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.937 15.517 4.583 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.138 14.667 4.723 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.684 14.311 6.379 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.152 13.632 5.783 1.00 0.00 H new ATOM 380 N ALA A 31 -1.738 13.476 7.861 1.00 0.00 N ATOM 381 CA ALA A 31 -1.994 12.070 8.104 1.00 0.00 C ATOM 382 C ALA A 31 -2.027 11.316 6.783 1.00 0.00 C ATOM 383 O ALA A 31 -2.387 11.880 5.753 1.00 0.00 O ATOM 384 CB ALA A 31 -3.317 11.917 8.848 1.00 0.00 C ATOM 0 H ALA A 31 -2.563 14.014 7.596 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.196 11.651 8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.511 10.860 9.032 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.263 12.447 9.799 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.124 12.335 8.246 1.00 0.00 H new ATOM 390 N TYR A 32 -1.649 10.036 6.814 1.00 0.00 N ATOM 391 CA TYR A 32 -1.636 9.215 5.621 1.00 0.00 C ATOM 392 C TYR A 32 -2.158 7.822 5.946 1.00 0.00 C ATOM 393 O TYR A 32 -1.915 7.305 7.034 1.00 0.00 O ATOM 394 CB TYR A 32 -0.215 9.144 5.069 1.00 0.00 C ATOM 395 CG TYR A 32 0.243 10.427 4.418 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.349 10.856 3.224 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.260 11.187 5.008 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.075 12.045 2.620 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.684 12.377 4.404 1.00 0.00 C ATOM 400 CZ TYR A 32 1.092 12.806 3.210 1.00 0.00 C ATOM 401 OH TYR A 32 1.505 13.965 2.622 1.00 0.00 O ATOM 0 H TYR A 32 -1.348 9.552 7.660 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.285 9.657 4.865 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.469 8.893 5.880 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.157 8.335 4.341 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.133 10.269 2.769 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.717 10.856 5.929 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.382 12.376 1.699 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.468 12.964 4.859 1.00 0.00 H new ATOM 0 HH TYR A 32 2.121 13.758 1.888 1.00 0.00 H new ATOM 411 N ASP A 33 -2.878 7.216 4.999 1.00 0.00 N ATOM 412 CA ASP A 33 -3.430 5.890 5.190 1.00 0.00 C ATOM 413 C ASP A 33 -2.628 4.878 4.385 1.00 0.00 C ATOM 414 O ASP A 33 -2.620 4.924 3.157 1.00 0.00 O ATOM 415 CB ASP A 33 -4.895 5.884 4.761 1.00 0.00 C ATOM 416 CG ASP A 33 -5.808 6.179 5.941 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.624 5.513 6.983 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.675 7.066 5.781 1.00 0.00 O ATOM 0 H ASP A 33 -3.088 7.632 4.092 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.372 5.615 6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.052 6.628 3.980 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.149 4.914 4.333 1.00 0.00 H new ATOM 423 N VAL A 34 -1.951 3.961 5.081 1.00 0.00 N ATOM 424 CA VAL A 34 -1.151 2.944 4.430 1.00 0.00 C ATOM 425 C VAL A 34 -1.928 1.637 4.370 1.00 0.00 C ATOM 426 O VAL A 34 -2.763 1.369 5.230 1.00 0.00 O ATOM 427 CB VAL A 34 0.157 2.760 5.194 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.293 2.509 4.207 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.455 4.021 6.002 1.00 0.00 C ATOM 0 H VAL A 34 -1.947 3.910 6.100 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.921 3.254 3.411 1.00 0.00 H new ATOM 0 HB VAL A 34 0.067 1.908 5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.227 2.378 4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.081 1.609 3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.384 3.360 3.532 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.389 3.891 6.548 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.545 4.873 5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.356 4.201 6.708 1.00 0.00 H new ATOM 439 N GLY A 35 -1.652 0.821 3.349 1.00 0.00 N ATOM 440 CA GLY A 35 -2.328 -0.450 3.187 1.00 0.00 C ATOM 441 C GLY A 35 -1.819 -1.164 1.942 1.00 0.00 C ATOM 442 O GLY A 35 -1.118 -0.570 1.126 1.00 0.00 O ATOM 0 H GLY A 35 -0.963 1.027 2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.161 -1.073 4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.403 -0.290 3.109 1.00 0.00 H new ATOM 446 N GLN A 36 -2.175 -2.442 1.798 1.00 0.00 N ATOM 447 CA GLN A 36 -1.752 -3.229 0.657 1.00 0.00 C ATOM 448 C GLN A 36 -2.951 -3.541 -0.228 1.00 0.00 C ATOM 449 O GLN A 36 -3.914 -4.157 0.223 1.00 0.00 O ATOM 450 CB GLN A 36 -1.091 -4.515 1.144 1.00 0.00 C ATOM 451 CG GLN A 36 -1.209 -5.589 0.067 1.00 0.00 C ATOM 452 CD GLN A 36 -0.875 -6.963 0.630 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.440 -7.375 1.641 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.046 -7.671 -0.027 1.00 0.00 N ATOM 0 H GLN A 36 -2.758 -2.948 2.465 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.029 -2.664 0.069 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.042 -4.332 1.376 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.566 -4.854 2.064 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.221 -5.594 -0.338 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.536 -5.357 -0.759 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.486 -7.285 -0.862 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.309 -8.598 0.306 1.00 0.00 H new ATOM 463 N CYS A 37 -2.890 -3.114 -1.491 1.00 0.00 N ATOM 464 CA CYS A 37 -3.967 -3.349 -2.432 1.00 0.00 C ATOM 465 C CYS A 37 -3.524 -4.361 -3.478 1.00 0.00 C ATOM 466 O CYS A 37 -2.345 -4.696 -3.560 1.00 0.00 O ATOM 467 CB CYS A 37 -4.364 -2.030 -3.089 1.00 0.00 C ATOM 468 SG CYS A 37 -5.152 -0.854 -1.961 1.00 0.00 S ATOM 0 H CYS A 37 -2.098 -2.602 -1.879 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.833 -3.753 -1.908 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.475 -1.567 -3.517 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.045 -2.238 -3.915 1.00 0.00 H new ATOM 473 N ALA A 38 -4.475 -4.849 -4.279 1.00 0.00 N ATOM 474 CA ALA A 38 -4.179 -5.820 -5.313 1.00 0.00 C ATOM 475 C ALA A 38 -5.207 -5.712 -6.431 1.00 0.00 C ATOM 476 O ALA A 38 -6.407 -5.799 -6.183 1.00 0.00 O ATOM 477 CB ALA A 38 -4.182 -7.221 -4.709 1.00 0.00 C ATOM 0 H ALA A 38 -5.457 -4.581 -4.224 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.193 -5.622 -5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.959 -7.953 -5.486 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.426 -7.281 -3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.163 -7.431 -4.283 1.00 0.00 H new ATOM 483 N TRP A 39 -4.734 -5.521 -7.664 1.00 0.00 N ATOM 484 CA TRP A 39 -5.616 -5.405 -8.808 1.00 0.00 C ATOM 485 C TRP A 39 -6.359 -6.715 -9.025 1.00 0.00 C ATOM 486 O TRP A 39 -5.746 -7.779 -9.068 1.00 0.00 O ATOM 487 CB TRP A 39 -4.799 -5.035 -10.043 1.00 0.00 C ATOM 488 CG TRP A 39 -5.247 -5.685 -11.312 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.529 -5.783 -11.729 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.443 -6.334 -12.344 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.572 -6.443 -12.939 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.311 -6.806 -13.365 1.00 0.00 C ATOM 493 CE3 TRP A 39 -3.068 -6.571 -12.521 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.843 -7.477 -14.498 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.588 -7.243 -13.654 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.470 -7.697 -14.642 1.00 0.00 C ATOM 0 H TRP A 39 -3.742 -5.444 -7.888 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.351 -4.621 -8.626 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.835 -3.953 -10.174 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.757 -5.300 -9.864 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.388 -5.403 -11.196 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.430 -6.639 -13.455 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.370 -6.229 -11.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.534 -7.821 -15.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.527 -7.412 -13.766 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -3.092 -8.215 -15.511 1.00 0.00 H new ATOM 507 N VAL A 40 -7.684 -6.634 -9.164 1.00 0.00 N ATOM 508 CA VAL A 40 -8.504 -7.810 -9.375 1.00 0.00 C ATOM 509 C VAL A 40 -9.034 -7.818 -10.802 1.00 0.00 C ATOM 510 O VAL A 40 -9.125 -8.872 -11.427 1.00 0.00 O ATOM 511 CB VAL A 40 -9.653 -7.816 -8.371 1.00 0.00 C ATOM 512 CG1 VAL A 40 -9.150 -8.328 -7.025 1.00 0.00 C ATOM 513 CG2 VAL A 40 -10.192 -6.398 -8.207 1.00 0.00 C ATOM 0 H VAL A 40 -8.206 -5.758 -9.133 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.905 -8.708 -9.225 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.448 -8.468 -8.733 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.971 -8.332 -6.308 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.765 -9.341 -7.142 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.355 -7.677 -6.662 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.013 -6.401 -7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.397 -5.746 -7.845 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.552 -6.032 -9.169 1.00 0.00 H new ATOM 523 N ASP A 41 -9.384 -6.637 -11.317 1.00 0.00 N ATOM 524 CA ASP A 41 -9.903 -6.515 -12.665 1.00 0.00 C ATOM 525 C ASP A 41 -9.462 -5.189 -13.268 1.00 0.00 C ATOM 526 O ASP A 41 -9.034 -4.289 -12.548 1.00 0.00 O ATOM 527 CB ASP A 41 -11.425 -6.615 -12.634 1.00 0.00 C ATOM 528 CG ASP A 41 -11.906 -7.834 -13.408 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.055 -8.445 -14.089 1.00 0.00 O ATOM 530 OD2 ASP A 41 -13.115 -8.133 -13.303 1.00 0.00 O ATOM 0 H ASP A 41 -9.314 -5.754 -10.812 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.512 -7.322 -13.285 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.768 -6.676 -11.601 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.861 -5.712 -13.062 1.00 0.00 H new ATOM 535 N THR A 42 -9.566 -5.068 -14.593 1.00 0.00 N ATOM 536 CA THR A 42 -9.178 -3.853 -15.280 1.00 0.00 C ATOM 537 C THR A 42 -9.882 -2.657 -14.656 1.00 0.00 C ATOM 538 O THR A 42 -11.104 -2.549 -14.721 1.00 0.00 O ATOM 539 CB THR A 42 -9.526 -3.973 -16.761 1.00 0.00 C ATOM 540 OG1 THR A 42 -9.562 -2.688 -17.340 1.00 0.00 O ATOM 541 CG2 THR A 42 -10.892 -4.636 -16.910 1.00 0.00 C ATOM 0 H THR A 42 -9.918 -5.804 -15.206 1.00 0.00 H new ATOM 0 HA THR A 42 -8.102 -3.706 -15.183 1.00 0.00 H new ATOM 0 HB THR A 42 -8.772 -4.578 -17.264 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.784 -2.764 -18.292 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.141 -4.722 -17.968 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.865 -5.629 -16.462 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.647 -4.031 -16.407 1.00 0.00 H new ATOM 549 N GLY A 43 -9.106 -1.755 -14.049 1.00 0.00 N ATOM 550 CA GLY A 43 -9.662 -0.575 -13.418 1.00 0.00 C ATOM 551 C GLY A 43 -10.337 -0.946 -12.105 1.00 0.00 C ATOM 552 O GLY A 43 -10.904 -0.089 -11.432 1.00 0.00 O ATOM 0 H GLY A 43 -8.091 -1.828 -13.986 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.873 0.154 -13.236 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.384 -0.103 -14.085 1.00 0.00 H new ATOM 556 N VAL A 44 -10.275 -2.230 -11.743 1.00 0.00 N ATOM 557 CA VAL A 44 -10.878 -2.708 -10.516 1.00 0.00 C ATOM 558 C VAL A 44 -9.814 -3.342 -9.632 1.00 0.00 C ATOM 559 O VAL A 44 -9.173 -4.314 -10.028 1.00 0.00 O ATOM 560 CB VAL A 44 -11.975 -3.715 -10.849 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.299 -4.545 -9.610 1.00 0.00 C ATOM 562 CG2 VAL A 44 -13.228 -2.971 -11.304 1.00 0.00 C ATOM 0 H VAL A 44 -9.809 -2.953 -12.291 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.322 -1.873 -9.974 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.632 -4.373 -11.647 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.083 -5.264 -9.848 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.405 -5.077 -9.285 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.641 -3.887 -8.811 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.012 -3.690 -11.542 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.570 -2.312 -10.506 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.998 -2.379 -12.190 1.00 0.00 H new ATOM 572 N LEU A 45 -9.627 -2.791 -8.431 1.00 0.00 N ATOM 573 CA LEU A 45 -8.643 -3.304 -7.498 1.00 0.00 C ATOM 574 C LEU A 45 -9.302 -3.585 -6.155 1.00 0.00 C ATOM 575 O LEU A 45 -10.391 -3.086 -5.879 1.00 0.00 O ATOM 576 CB LEU A 45 -7.512 -2.291 -7.344 1.00 0.00 C ATOM 577 CG LEU A 45 -7.927 -1.213 -6.347 1.00 0.00 C ATOM 578 CD1 LEU A 45 -7.579 -1.667 -4.932 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.188 0.084 -6.662 1.00 0.00 C ATOM 0 H LEU A 45 -10.151 -1.986 -8.088 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.228 -4.237 -7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.606 -2.791 -7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.280 -1.839 -8.309 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.001 -1.045 -6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.875 -0.897 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.108 -2.593 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.505 -1.836 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.485 0.854 -5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.113 -0.083 -6.590 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.437 0.409 -7.672 1.00 0.00 H new ATOM 591 N ALA A 46 -8.638 -4.387 -5.320 1.00 0.00 N ATOM 592 CA ALA A 46 -9.161 -4.730 -4.013 1.00 0.00 C ATOM 593 C ALA A 46 -8.147 -4.364 -2.939 1.00 0.00 C ATOM 594 O ALA A 46 -6.948 -4.563 -3.121 1.00 0.00 O ATOM 595 CB ALA A 46 -9.480 -6.222 -3.969 1.00 0.00 C ATOM 0 H ALA A 46 -7.734 -4.808 -5.535 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.077 -4.170 -3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.874 -6.481 -2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.223 -6.458 -4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.572 -6.794 -4.158 1.00 0.00 H new ATOM 601 N CYS A 47 -8.631 -3.825 -1.817 1.00 0.00 N ATOM 602 CA CYS A 47 -7.767 -3.434 -0.722 1.00 0.00 C ATOM 603 C CYS A 47 -7.960 -4.385 0.451 1.00 0.00 C ATOM 604 O CYS A 47 -9.035 -4.956 0.619 1.00 0.00 O ATOM 605 CB CYS A 47 -8.085 -1.998 -0.312 1.00 0.00 C ATOM 606 SG CYS A 47 -7.351 -0.745 -1.392 1.00 0.00 S ATOM 0 H CYS A 47 -9.623 -3.653 -1.652 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.725 -3.485 -1.039 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.167 -1.865 -0.301 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.734 -1.836 0.707 1.00 0.00 H new ATOM 611 N ASN A 48 -6.914 -4.554 1.264 1.00 0.00 N ATOM 612 CA ASN A 48 -6.975 -5.433 2.413 1.00 0.00 C ATOM 613 C ASN A 48 -6.890 -4.618 3.696 1.00 0.00 C ATOM 614 O ASN A 48 -5.844 -4.053 4.007 1.00 0.00 O ATOM 615 CB ASN A 48 -5.835 -6.445 2.340 1.00 0.00 C ATOM 616 CG ASN A 48 -5.706 -7.214 3.647 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.631 -7.226 4.455 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.555 -7.859 3.851 1.00 0.00 N ATOM 0 H ASN A 48 -6.016 -4.087 1.139 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.923 -5.971 2.411 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.013 -7.141 1.520 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.899 -5.930 2.123 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.414 -8.392 4.709 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.816 -7.818 3.149 1.00 0.00 H new ATOM 625 N PRO A 49 -7.996 -4.558 4.441 1.00 0.00 N ATOM 626 CA PRO A 49 -8.101 -3.834 5.689 1.00 0.00 C ATOM 627 C PRO A 49 -7.326 -4.570 6.773 1.00 0.00 C ATOM 628 O PRO A 49 -7.291 -4.131 7.920 1.00 0.00 O ATOM 629 CB PRO A 49 -9.595 -3.810 6.004 1.00 0.00 C ATOM 630 CG PRO A 49 -10.095 -5.107 5.368 1.00 0.00 C ATOM 631 CD PRO A 49 -9.243 -5.210 4.105 1.00 0.00 C ATOM 0 HA PRO A 49 -7.688 -2.827 5.631 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.782 -3.788 7.078 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.085 -2.935 5.577 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.949 -5.964 6.026 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.159 -5.061 5.136 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.081 -6.250 3.822 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.729 -4.722 3.260 1.00 0.00 H new ATOM 639 N ALA A 50 -6.705 -5.693 6.406 1.00 0.00 N ATOM 640 CA ALA A 50 -5.937 -6.484 7.346 1.00 0.00 C ATOM 641 C ALA A 50 -4.490 -6.013 7.357 1.00 0.00 C ATOM 642 O ALA A 50 -3.760 -6.264 8.313 1.00 0.00 O ATOM 643 CB ALA A 50 -6.023 -7.958 6.959 1.00 0.00 C ATOM 0 H ALA A 50 -6.725 -6.069 5.458 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.345 -6.360 8.349 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.445 -8.554 7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.064 -8.279 6.979 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.621 -8.095 5.955 1.00 0.00 H new ATOM 649 N ASP A 51 -4.076 -5.327 6.289 1.00 0.00 N ATOM 650 CA ASP A 51 -2.721 -4.826 6.180 1.00 0.00 C ATOM 651 C ASP A 51 -2.741 -3.309 6.061 1.00 0.00 C ATOM 652 O ASP A 51 -1.772 -2.708 5.601 1.00 0.00 O ATOM 653 CB ASP A 51 -2.042 -5.455 4.967 1.00 0.00 C ATOM 654 CG ASP A 51 -2.933 -5.359 3.736 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.620 -4.322 3.612 1.00 0.00 O ATOM 656 OD2 ASP A 51 -2.909 -6.324 2.942 1.00 0.00 O ATOM 0 H ASP A 51 -4.670 -5.110 5.489 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.157 -5.093 7.074 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.094 -4.953 4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.813 -6.500 5.175 1.00 0.00 H new ATOM 661 N PHE A 52 -3.848 -2.689 6.477 1.00 0.00 N ATOM 662 CA PHE A 52 -3.985 -1.248 6.414 1.00 0.00 C ATOM 663 C PHE A 52 -3.532 -0.628 7.729 1.00 0.00 C ATOM 664 O PHE A 52 -4.165 -0.831 8.763 1.00 0.00 O ATOM 665 CB PHE A 52 -5.438 -0.889 6.118 1.00 0.00 C ATOM 666 CG PHE A 52 -6.143 -0.226 7.277 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.654 0.977 7.799 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.286 -0.816 7.831 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.306 1.591 8.875 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.938 -0.202 8.907 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.448 1.001 9.429 1.00 0.00 C ATOM 0 H PHE A 52 -4.660 -3.172 6.861 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.357 -0.853 5.615 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.471 -0.224 5.255 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.979 -1.795 5.844 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.773 1.432 7.371 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.664 -1.744 7.428 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.928 2.519 9.277 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.819 -0.657 9.335 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.951 1.474 10.259 1.00 0.00 H new ATOM 681 N SER A 53 -2.434 0.130 7.687 1.00 0.00 N ATOM 682 CA SER A 53 -1.906 0.775 8.872 1.00 0.00 C ATOM 683 C SER A 53 -2.156 2.275 8.799 1.00 0.00 C ATOM 684 O SER A 53 -2.821 2.752 7.883 1.00 0.00 O ATOM 685 CB SER A 53 -0.413 0.481 8.988 1.00 0.00 C ATOM 686 OG SER A 53 0.099 1.100 10.146 1.00 0.00 O ATOM 0 H SER A 53 -1.898 0.307 6.838 1.00 0.00 H new ATOM 0 HA SER A 53 -2.410 0.386 9.757 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.246 -0.595 9.034 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.110 0.848 8.105 1.00 0.00 H new ATOM 0 HG SER A 53 1.057 0.910 10.222 1.00 0.00 H new ATOM 692 N SER A 54 -1.619 3.019 9.769 1.00 0.00 N ATOM 693 CA SER A 54 -1.785 4.458 9.808 1.00 0.00 C ATOM 694 C SER A 54 -0.535 5.106 10.387 1.00 0.00 C ATOM 695 O SER A 54 0.211 4.469 11.127 1.00 0.00 O ATOM 696 CB SER A 54 -3.012 4.805 10.646 1.00 0.00 C ATOM 697 OG SER A 54 -2.644 4.890 12.005 1.00 0.00 O ATOM 0 H SER A 54 -1.065 2.639 10.536 1.00 0.00 H new ATOM 0 HA SER A 54 -1.932 4.839 8.797 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.437 5.752 10.313 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.783 4.046 10.514 1.00 0.00 H new ATOM 0 HG SER A 54 -3.431 5.114 12.544 1.00 0.00 H new ATOM 703 N VAL A 55 -0.310 6.378 10.048 1.00 0.00 N ATOM 704 CA VAL A 55 0.845 7.106 10.535 1.00 0.00 C ATOM 705 C VAL A 55 0.670 8.592 10.258 1.00 0.00 C ATOM 706 O VAL A 55 -0.098 8.976 9.379 1.00 0.00 O ATOM 707 CB VAL A 55 2.104 6.573 9.856 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.931 6.637 8.342 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.302 7.424 10.268 1.00 0.00 C ATOM 0 H VAL A 55 -0.920 6.919 9.435 1.00 0.00 H new ATOM 0 HA VAL A 55 0.942 6.966 11.612 1.00 0.00 H new ATOM 0 HB VAL A 55 2.271 5.539 10.159 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.830 6.257 7.857 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.075 6.030 8.048 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.764 7.670 8.038 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.202 7.044 9.784 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.135 8.458 9.965 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.426 7.379 11.350 1.00 0.00 H new ATOM 719 N THR A 56 1.386 9.430 11.011 1.00 0.00 N ATOM 720 CA THR A 56 1.304 10.867 10.839 1.00 0.00 C ATOM 721 C THR A 56 2.700 11.449 10.669 1.00 0.00 C ATOM 722 O THR A 56 3.593 11.173 11.468 1.00 0.00 O ATOM 723 CB THR A 56 0.605 11.484 12.047 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.684 10.927 12.178 1.00 0.00 O ATOM 725 CG2 THR A 56 0.489 12.993 11.852 1.00 0.00 C ATOM 0 H THR A 56 2.028 9.129 11.745 1.00 0.00 H new ATOM 0 HA THR A 56 0.726 11.096 9.944 1.00 0.00 H new ATOM 0 HB THR A 56 1.184 11.278 12.947 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.133 11.321 12.955 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.010 13.434 12.715 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.485 13.424 11.749 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.091 13.200 10.952 1.00 0.00 H new ATOM 733 N ALA A 57 2.887 12.259 9.624 1.00 0.00 N ATOM 734 CA ALA A 57 4.170 12.875 9.354 1.00 0.00 C ATOM 735 C ALA A 57 4.522 13.844 10.473 1.00 0.00 C ATOM 736 O ALA A 57 3.677 14.619 10.915 1.00 0.00 O ATOM 737 CB ALA A 57 4.113 13.597 8.011 1.00 0.00 C ATOM 0 H ALA A 57 2.157 12.499 8.953 1.00 0.00 H new ATOM 0 HA ALA A 57 4.944 12.109 9.307 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.078 14.061 7.806 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.880 12.881 7.223 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.340 14.365 8.043 1.00 0.00 H new ATOM 743 N ASP A 58 5.775 13.799 10.933 1.00 0.00 N ATOM 744 CA ASP A 58 6.231 14.670 11.997 1.00 0.00 C ATOM 745 C ASP A 58 6.473 16.069 11.449 1.00 0.00 C ATOM 746 O ASP A 58 6.194 16.337 10.282 1.00 0.00 O ATOM 747 CB ASP A 58 7.508 14.100 12.608 1.00 0.00 C ATOM 748 CG ASP A 58 8.583 13.915 11.546 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.528 14.663 10.546 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.439 13.028 11.755 1.00 0.00 O ATOM 0 H ASP A 58 6.488 13.162 10.577 1.00 0.00 H new ATOM 0 HA ASP A 58 5.469 14.732 12.774 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.873 14.769 13.388 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.293 13.143 13.084 1.00 0.00 H new ATOM 755 N ALA A 59 6.993 16.962 12.295 1.00 0.00 N ATOM 756 CA ALA A 59 7.267 18.326 11.892 1.00 0.00 C ATOM 757 C ALA A 59 8.312 18.337 10.785 1.00 0.00 C ATOM 758 O ALA A 59 8.430 19.315 10.050 1.00 0.00 O ATOM 759 CB ALA A 59 7.751 19.125 13.099 1.00 0.00 C ATOM 0 H ALA A 59 7.230 16.755 13.265 1.00 0.00 H new ATOM 0 HA ALA A 59 6.356 18.786 11.509 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.957 20.152 12.797 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.981 19.122 13.870 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.661 18.673 13.493 1.00 0.00 H new ATOM 765 N ASN A 60 9.070 17.245 10.667 1.00 0.00 N ATOM 766 CA ASN A 60 10.098 17.136 9.651 1.00 0.00 C ATOM 767 C ASN A 60 9.498 16.594 8.362 1.00 0.00 C ATOM 768 O ASN A 60 10.225 16.247 7.433 1.00 0.00 O ATOM 769 CB ASN A 60 11.213 16.223 10.154 1.00 0.00 C ATOM 770 CG ASN A 60 12.497 17.008 10.383 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.453 18.169 10.785 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.642 16.372 10.127 1.00 0.00 N ATOM 0 H ASN A 60 8.984 16.426 11.268 1.00 0.00 H new ATOM 0 HA ASN A 60 10.516 18.121 9.445 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.905 15.744 11.083 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.392 15.428 9.430 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.533 16.850 10.264 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.627 15.408 9.795 1.00 0.00 H new ATOM 779 N GLY A 61 8.166 16.522 8.305 1.00 0.00 N ATOM 780 CA GLY A 61 7.481 16.023 7.129 1.00 0.00 C ATOM 781 C GLY A 61 7.960 14.617 6.797 1.00 0.00 C ATOM 782 O GLY A 61 7.973 14.222 5.633 1.00 0.00 O ATOM 0 H GLY A 61 7.547 16.805 9.065 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.405 16.017 7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.664 16.686 6.284 1.00 0.00 H new ATOM 786 N SER A 62 8.353 13.861 7.824 1.00 0.00 N ATOM 787 CA SER A 62 8.829 12.505 7.636 1.00 0.00 C ATOM 788 C SER A 62 8.018 11.548 8.499 1.00 0.00 C ATOM 789 O SER A 62 7.752 11.833 9.664 1.00 0.00 O ATOM 790 CB SER A 62 10.311 12.432 7.994 1.00 0.00 C ATOM 791 OG SER A 62 10.822 11.171 7.622 1.00 0.00 O ATOM 0 H SER A 62 8.348 14.174 8.795 1.00 0.00 H new ATOM 0 HA SER A 62 8.706 12.215 6.593 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.859 13.224 7.483 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.446 12.590 9.064 1.00 0.00 H new ATOM 0 HG SER A 62 10.407 10.885 6.782 1.00 0.00 H new ATOM 797 N ALA A 63 7.625 10.410 7.922 1.00 0.00 N ATOM 798 CA ALA A 63 6.848 9.419 8.639 1.00 0.00 C ATOM 799 C ALA A 63 7.546 8.068 8.570 1.00 0.00 C ATOM 800 O ALA A 63 8.443 7.871 7.753 1.00 0.00 O ATOM 801 CB ALA A 63 5.449 9.336 8.035 1.00 0.00 C ATOM 0 H ALA A 63 7.837 10.159 6.956 1.00 0.00 H new ATOM 0 HA ALA A 63 6.761 9.708 9.686 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.864 8.591 8.574 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.961 10.307 8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.522 9.051 6.986 1.00 0.00 H new ATOM 807 N SER A 64 7.133 7.136 9.432 1.00 0.00 N ATOM 808 CA SER A 64 7.720 5.811 9.463 1.00 0.00 C ATOM 809 C SER A 64 6.700 4.807 9.980 1.00 0.00 C ATOM 810 O SER A 64 6.223 4.926 11.106 1.00 0.00 O ATOM 811 CB SER A 64 8.961 5.826 10.350 1.00 0.00 C ATOM 812 OG SER A 64 9.742 6.960 10.046 1.00 0.00 O ATOM 0 H SER A 64 6.391 7.283 10.117 1.00 0.00 H new ATOM 0 HA SER A 64 8.013 5.515 8.456 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.670 5.842 11.400 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.543 4.918 10.195 1.00 0.00 H new ATOM 0 HG SER A 64 10.539 6.971 10.617 1.00 0.00 H new ATOM 818 N THR A 65 6.366 3.813 9.153 1.00 0.00 N ATOM 819 CA THR A 65 5.408 2.795 9.534 1.00 0.00 C ATOM 820 C THR A 65 5.777 1.467 8.889 1.00 0.00 C ATOM 821 O THR A 65 6.572 1.428 7.953 1.00 0.00 O ATOM 822 CB THR A 65 4.008 3.232 9.110 1.00 0.00 C ATOM 823 OG1 THR A 65 3.190 3.360 10.251 1.00 0.00 O ATOM 824 CG2 THR A 65 3.412 2.186 8.171 1.00 0.00 C ATOM 0 H THR A 65 6.751 3.699 8.215 1.00 0.00 H new ATOM 0 HA THR A 65 5.423 2.665 10.616 1.00 0.00 H new ATOM 0 HB THR A 65 4.066 4.191 8.596 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.248 3.324 9.984 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.412 2.497 7.868 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.044 2.086 7.289 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.353 1.227 8.685 1.00 0.00 H new ATOM 832 N SER A 66 5.196 0.376 9.393 1.00 0.00 N ATOM 833 CA SER A 66 5.465 -0.946 8.864 1.00 0.00 C ATOM 834 C SER A 66 4.265 -1.437 8.065 1.00 0.00 C ATOM 835 O SER A 66 3.128 -1.326 8.518 1.00 0.00 O ATOM 836 CB SER A 66 5.776 -1.899 10.013 1.00 0.00 C ATOM 837 OG SER A 66 5.853 -1.172 11.219 1.00 0.00 O ATOM 0 H SER A 66 4.535 0.391 10.170 1.00 0.00 H new ATOM 0 HA SER A 66 6.327 -0.907 8.198 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.002 -2.663 10.085 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.718 -2.416 9.827 1.00 0.00 H new ATOM 0 HG SER A 66 6.051 -1.784 11.958 1.00 0.00 H new ATOM 843 N LEU A 67 4.522 -1.981 6.874 1.00 0.00 N ATOM 844 CA LEU A 67 3.466 -2.487 6.020 1.00 0.00 C ATOM 845 C LEU A 67 3.674 -3.973 5.765 1.00 0.00 C ATOM 846 O LEU A 67 4.702 -4.374 5.222 1.00 0.00 O ATOM 847 CB LEU A 67 3.458 -1.709 4.707 1.00 0.00 C ATOM 848 CG LEU A 67 2.036 -1.658 4.155 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.537 -3.078 3.901 1.00 0.00 C ATOM 850 CD2 LEU A 67 1.122 -0.971 5.166 1.00 0.00 C ATOM 0 H LEU A 67 5.460 -2.079 6.485 1.00 0.00 H new ATOM 0 HA LEU A 67 2.502 -2.355 6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.833 -0.698 4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.123 -2.185 3.986 1.00 0.00 H new ATOM 0 HG LEU A 67 2.030 -1.098 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.521 -3.042 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.189 -3.569 3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.544 -3.639 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.106 -0.934 4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.129 -1.531 6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.478 0.043 5.348 1.00 0.00 H new ATOM 862 N THR A 68 2.695 -4.791 6.157 1.00 0.00 N ATOM 863 CA THR A 68 2.780 -6.225 5.967 1.00 0.00 C ATOM 864 C THR A 68 2.325 -6.589 4.561 1.00 0.00 C ATOM 865 O THR A 68 1.421 -5.961 4.016 1.00 0.00 O ATOM 866 CB THR A 68 1.918 -6.928 7.013 1.00 0.00 C ATOM 867 OG1 THR A 68 1.516 -8.186 6.521 1.00 0.00 O ATOM 868 CG2 THR A 68 0.685 -6.079 7.309 1.00 0.00 C ATOM 0 H THR A 68 1.836 -4.476 6.608 1.00 0.00 H new ATOM 0 HA THR A 68 3.813 -6.550 6.088 1.00 0.00 H new ATOM 0 HB THR A 68 2.494 -7.063 7.928 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.558 -8.848 7.242 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.069 -6.580 8.056 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.996 -5.106 7.689 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.108 -5.944 6.394 1.00 0.00 H new ATOM 876 N VAL A 69 2.956 -7.609 3.975 1.00 0.00 N ATOM 877 CA VAL A 69 2.616 -8.053 2.638 1.00 0.00 C ATOM 878 C VAL A 69 2.201 -9.517 2.672 1.00 0.00 C ATOM 879 O VAL A 69 2.861 -10.337 3.306 1.00 0.00 O ATOM 880 CB VAL A 69 3.814 -7.851 1.715 1.00 0.00 C ATOM 881 CG1 VAL A 69 5.076 -7.668 2.553 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.974 -9.073 0.815 1.00 0.00 C ATOM 0 H VAL A 69 3.708 -8.140 4.415 1.00 0.00 H new ATOM 0 HA VAL A 69 1.779 -7.467 2.257 1.00 0.00 H new ATOM 0 HB VAL A 69 3.654 -6.965 1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.932 -7.524 1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.962 -6.796 3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.236 -8.554 3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.830 -8.929 0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.134 -9.959 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.073 -9.205 0.217 1.00 0.00 H new ATOM 892 N ARG A 70 1.103 -9.844 1.986 1.00 0.00 N ATOM 893 CA ARG A 70 0.606 -11.204 1.941 1.00 0.00 C ATOM 894 C ARG A 70 0.630 -11.715 0.508 1.00 0.00 C ATOM 895 O ARG A 70 0.942 -10.966 -0.415 1.00 0.00 O ATOM 896 CB ARG A 70 -0.812 -11.245 2.506 1.00 0.00 C ATOM 897 CG ARG A 70 -0.994 -10.106 3.505 1.00 0.00 C ATOM 898 CD ARG A 70 0.227 -10.028 4.417 1.00 0.00 C ATOM 899 NE ARG A 70 -0.144 -10.264 5.812 1.00 0.00 N ATOM 900 CZ ARG A 70 -1.061 -9.528 6.454 1.00 0.00 C ATOM 901 NH1 ARG A 70 -1.682 -8.526 5.817 1.00 0.00 N ATOM 902 NH2 ARG A 70 -1.356 -9.793 7.734 1.00 0.00 N ATOM 0 H ARG A 70 0.545 -9.175 1.455 1.00 0.00 H new ATOM 0 HA ARG A 70 1.244 -11.849 2.546 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.539 -11.155 1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.993 -12.203 2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.127 -9.162 2.976 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.894 -10.269 4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.967 -10.765 4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.694 -9.048 4.322 1.00 0.00 H new ATOM 0 HE ARG A 70 0.315 -11.021 6.318 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.457 -8.323 4.843 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.380 -7.966 6.306 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.882 -10.555 8.219 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.054 -9.233 8.223 1.00 0.00 H new ATOM 916 N ARG A 71 0.297 -12.994 0.323 1.00 0.00 N ATOM 917 CA ARG A 71 0.283 -13.598 -0.994 1.00 0.00 C ATOM 918 C ARG A 71 -1.140 -13.625 -1.534 1.00 0.00 C ATOM 919 O ARG A 71 -1.353 -13.886 -2.716 1.00 0.00 O ATOM 920 CB ARG A 71 0.856 -15.010 -0.912 1.00 0.00 C ATOM 921 CG ARG A 71 2.365 -14.960 -1.138 1.00 0.00 C ATOM 922 CD ARG A 71 2.977 -16.314 -0.788 1.00 0.00 C ATOM 923 NE ARG A 71 3.969 -16.715 -1.785 1.00 0.00 N ATOM 924 CZ ARG A 71 4.367 -17.985 -1.942 1.00 0.00 C ATOM 925 NH1 ARG A 71 3.850 -18.950 -1.169 1.00 0.00 N ATOM 926 NH2 ARG A 71 5.281 -18.291 -2.873 1.00 0.00 N ATOM 0 H ARG A 71 0.034 -13.627 1.078 1.00 0.00 H new ATOM 0 HA ARG A 71 0.898 -13.009 -1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.638 -15.447 0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.386 -15.649 -1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.580 -14.709 -2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.810 -14.178 -0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.445 -16.262 0.195 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.192 -17.067 -0.728 1.00 0.00 H new ATOM 0 HE ARG A 71 4.375 -15.998 -2.386 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.153 -18.718 -0.461 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.153 -19.917 -1.289 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.674 -17.557 -3.462 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.584 -19.258 -2.992 1.00 0.00 H new ATOM 940 N SER A 72 -2.115 -13.353 -0.664 1.00 0.00 N ATOM 941 CA SER A 72 -3.510 -13.347 -1.058 1.00 0.00 C ATOM 942 C SER A 72 -4.371 -12.854 0.097 1.00 0.00 C ATOM 943 O SER A 72 -4.062 -13.111 1.258 1.00 0.00 O ATOM 944 CB SER A 72 -3.925 -14.753 -1.480 1.00 0.00 C ATOM 945 OG SER A 72 -4.198 -15.526 -0.333 1.00 0.00 O ATOM 0 H SER A 72 -1.955 -13.134 0.319 1.00 0.00 H new ATOM 0 HA SER A 72 -3.650 -12.672 -1.903 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.807 -14.707 -2.119 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.131 -15.218 -2.065 1.00 0.00 H new ATOM 0 HG SER A 72 -4.466 -16.429 -0.603 1.00 0.00 H new ATOM 951 N PHE A 73 -5.454 -12.144 -0.225 1.00 0.00 N ATOM 952 CA PHE A 73 -6.352 -11.622 0.786 1.00 0.00 C ATOM 953 C PHE A 73 -7.594 -11.041 0.124 1.00 0.00 C ATOM 954 O PHE A 73 -7.595 -10.780 -1.077 1.00 0.00 O ATOM 955 CB PHE A 73 -5.628 -10.558 1.607 1.00 0.00 C ATOM 956 CG PHE A 73 -4.855 -9.571 0.766 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.521 -8.786 -0.183 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.471 -9.442 0.933 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.804 -7.873 -0.964 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.753 -8.529 0.152 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.420 -7.744 -0.796 1.00 0.00 C ATOM 0 H PHE A 73 -5.724 -11.921 -1.183 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.664 -12.427 1.452 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.357 -10.017 2.210 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.943 -11.048 2.299 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.589 -8.885 -0.312 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.957 -10.047 1.665 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.318 -7.268 -1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.685 -8.430 0.281 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.867 -7.039 -1.398 1.00 0.00 H new ATOM 971 N GLU A 74 -8.653 -10.839 0.911 1.00 0.00 N ATOM 972 CA GLU A 74 -9.891 -10.290 0.396 1.00 0.00 C ATOM 973 C GLU A 74 -9.621 -8.962 -0.299 1.00 0.00 C ATOM 974 O GLU A 74 -9.164 -8.011 0.330 1.00 0.00 O ATOM 975 CB GLU A 74 -10.882 -10.108 1.542 1.00 0.00 C ATOM 976 CG GLU A 74 -10.201 -9.368 2.690 1.00 0.00 C ATOM 977 CD GLU A 74 -10.001 -10.288 3.886 1.00 0.00 C ATOM 978 OE1 GLU A 74 -10.992 -10.482 4.624 1.00 0.00 O ATOM 979 OE2 GLU A 74 -8.862 -10.779 4.041 1.00 0.00 O ATOM 0 H GLU A 74 -8.669 -11.051 1.909 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.320 -10.977 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.752 -9.548 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.242 -11.079 1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.237 -8.982 2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.805 -8.509 2.984 1.00 0.00 H new ATOM 986 N GLY A 75 -9.907 -8.899 -1.602 1.00 0.00 N ATOM 987 CA GLY A 75 -9.693 -7.689 -2.370 1.00 0.00 C ATOM 988 C GLY A 75 -10.819 -6.697 -2.115 1.00 0.00 C ATOM 989 O GLY A 75 -11.873 -6.776 -2.742 1.00 0.00 O ATOM 0 H GLY A 75 -10.288 -9.678 -2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.737 -7.242 -2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.643 -7.928 -3.432 1.00 0.00 H new ATOM 993 N PHE A 76 -10.594 -5.760 -1.191 1.00 0.00 N ATOM 994 CA PHE A 76 -11.589 -4.760 -0.860 1.00 0.00 C ATOM 995 C PHE A 76 -11.503 -3.601 -1.843 1.00 0.00 C ATOM 996 O PHE A 76 -10.635 -2.740 -1.716 1.00 0.00 O ATOM 997 CB PHE A 76 -11.365 -4.275 0.569 1.00 0.00 C ATOM 998 CG PHE A 76 -12.552 -4.499 1.475 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.709 -3.726 1.317 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.496 -5.478 2.474 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -14.809 -3.932 2.157 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.597 -5.684 3.315 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.753 -4.911 3.156 1.00 0.00 C ATOM 0 H PHE A 76 -9.726 -5.680 -0.662 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.586 -5.196 -0.930 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.498 -4.787 0.986 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.128 -3.211 0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.752 -2.970 0.546 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.604 -6.074 2.596 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.701 -3.336 2.035 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.554 -6.439 4.086 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.602 -5.070 3.804 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.407 -3.581 -2.825 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.430 -2.530 -3.823 1.00 0.00 C ATOM 1015 C LEU A 77 -12.544 -1.173 -3.142 1.00 0.00 C ATOM 1016 O LEU A 77 -13.399 -0.978 -2.281 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.601 -2.757 -4.774 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.090 -1.414 -5.309 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.992 -0.772 -6.152 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.332 -1.630 -6.169 1.00 0.00 C ATOM 0 H LEU A 77 -13.133 -4.288 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.504 -2.549 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.294 -3.399 -5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.411 -3.270 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.337 -0.758 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.341 0.187 -6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.105 -0.617 -5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.745 -1.427 -6.987 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.681 -0.671 -6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.087 -2.286 -7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.117 -2.088 -5.567 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.678 -0.234 -3.530 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.688 1.096 -2.955 1.00 0.00 C ATOM 1034 C PHE A 78 -13.111 1.636 -2.925 1.00 0.00 C ATOM 1035 O PHE A 78 -13.489 2.346 -1.996 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.780 2.010 -3.774 1.00 0.00 C ATOM 1037 CG PHE A 78 -11.439 2.555 -5.019 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -12.366 3.600 -4.920 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -11.120 2.018 -6.272 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -12.975 4.107 -6.074 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -11.729 2.525 -7.426 1.00 0.00 C ATOM 1042 CZ PHE A 78 -12.656 3.570 -7.327 1.00 0.00 C ATOM 0 H PHE A 78 -10.963 -0.379 -4.242 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.315 1.056 -1.932 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.457 2.843 -3.149 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -9.884 1.459 -4.058 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.611 4.015 -3.953 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -10.404 1.213 -6.348 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.691 4.912 -5.998 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -11.484 2.110 -8.393 1.00 0.00 H new ATOM 0 HZ PHE A 78 -13.125 3.962 -8.217 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.902 1.295 -3.946 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.276 1.747 -4.031 1.00 0.00 C ATOM 1054 C ASP A 79 -16.041 1.307 -2.790 1.00 0.00 C ATOM 1055 O ASP A 79 -17.108 1.840 -2.496 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.920 1.178 -5.292 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.886 2.180 -5.909 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -17.256 3.130 -5.186 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -17.235 1.977 -7.092 1.00 0.00 O ATOM 0 H ASP A 79 -13.605 0.705 -4.723 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.303 2.835 -4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.147 0.920 -6.015 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.450 0.257 -5.050 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.492 0.332 -2.062 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.128 -0.170 -0.860 1.00 0.00 C ATOM 1066 C GLY A 80 -16.894 -1.450 -1.163 1.00 0.00 C ATOM 1067 O GLY A 80 -17.877 -1.761 -0.495 1.00 0.00 O ATOM 0 H GLY A 80 -14.607 -0.121 -2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.376 -0.361 -0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.807 0.582 -0.459 1.00 0.00 H new ATOM 1071 N THR A 81 -16.442 -2.193 -2.176 1.00 0.00 N ATOM 1072 CA THR A 81 -17.087 -3.432 -2.558 1.00 0.00 C ATOM 1073 C THR A 81 -16.129 -4.599 -2.360 1.00 0.00 C ATOM 1074 O THR A 81 -14.919 -4.444 -2.508 1.00 0.00 O ATOM 1075 CB THR A 81 -17.536 -3.343 -4.014 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.619 -2.446 -4.117 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.971 -4.723 -4.498 1.00 0.00 C ATOM 0 H THR A 81 -15.629 -1.949 -2.742 1.00 0.00 H new ATOM 0 HA THR A 81 -17.962 -3.597 -1.930 1.00 0.00 H new ATOM 0 HB THR A 81 -16.709 -2.987 -4.628 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.907 -2.387 -5.052 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.292 -4.659 -5.538 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.134 -5.417 -4.418 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.798 -5.080 -3.884 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.675 -5.770 -2.024 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.870 -6.955 -1.807 1.00 0.00 C ATOM 1087 C ARG A 82 -15.615 -7.655 -3.134 1.00 0.00 C ATOM 1088 O ARG A 82 -16.449 -8.430 -3.599 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.588 -7.885 -0.834 1.00 0.00 C ATOM 1090 CG ARG A 82 -16.220 -7.506 0.598 1.00 0.00 C ATOM 1091 CD ARG A 82 -15.877 -8.767 1.386 1.00 0.00 C ATOM 1092 NE ARG A 82 -16.902 -9.055 2.389 1.00 0.00 N ATOM 1093 CZ ARG A 82 -16.783 -10.045 3.284 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -15.691 -10.821 3.285 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -17.758 -10.260 4.179 1.00 0.00 N ATOM 0 H ARG A 82 -17.677 -5.914 -1.898 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.909 -6.673 -1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.667 -7.813 -0.975 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.309 -8.920 -1.031 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.371 -6.822 0.598 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.051 -6.983 1.072 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.784 -9.612 0.704 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.910 -8.643 1.874 1.00 0.00 H new ATOM 0 HE ARG A 82 -17.743 -8.478 2.408 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.949 -10.658 2.604 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -15.601 -11.574 3.967 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -18.590 -9.670 4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.668 -11.014 4.860 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.460 -7.382 -3.744 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.106 -7.991 -5.011 1.00 0.00 C ATOM 1111 C TRP A 83 -13.954 -9.495 -4.839 1.00 0.00 C ATOM 1112 O TRP A 83 -14.638 -10.271 -5.503 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.810 -7.372 -5.527 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.455 -7.736 -6.933 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.903 -7.104 -8.040 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -11.584 -8.806 -7.410 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -12.373 -7.706 -9.161 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -11.551 -8.764 -8.830 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -10.819 -9.810 -6.788 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -10.802 -9.665 -9.592 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -10.064 -10.719 -7.543 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -10.053 -10.650 -8.941 1.00 0.00 C ATOM 0 H TRP A 83 -13.758 -6.741 -3.374 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.897 -7.808 -5.739 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.889 -6.287 -5.457 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.994 -7.675 -4.871 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -13.573 -6.257 -8.046 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -12.565 -7.407 -10.117 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -10.813 -9.882 -5.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -10.802 -9.601 -10.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -9.485 -11.480 -7.041 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -9.469 -11.354 -9.514 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.054 -9.908 -3.944 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.821 -11.316 -3.693 1.00 0.00 C ATOM 1135 C GLY A 84 -11.367 -11.549 -3.305 1.00 0.00 C ATOM 1136 O GLY A 84 -10.543 -10.643 -3.404 1.00 0.00 O ATOM 0 H GLY A 84 -12.478 -9.279 -3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.478 -11.664 -2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.065 -11.896 -4.583 1.00 0.00 H new ATOM 1140 N THR A 85 -11.054 -12.769 -2.862 1.00 0.00 N ATOM 1141 CA THR A 85 -9.703 -13.110 -2.464 1.00 0.00 C ATOM 1142 C THR A 85 -8.748 -12.891 -3.629 1.00 0.00 C ATOM 1143 O THR A 85 -8.738 -13.667 -4.582 1.00 0.00 O ATOM 1144 CB THR A 85 -9.663 -14.563 -1.999 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.956 -14.966 -1.605 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.708 -14.692 -0.816 1.00 0.00 C ATOM 0 H THR A 85 -11.725 -13.532 -2.773 1.00 0.00 H new ATOM 0 HA THR A 85 -9.391 -12.468 -1.640 1.00 0.00 H new ATOM 0 HB THR A 85 -9.318 -15.197 -2.816 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.409 -15.397 -2.360 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.679 -15.730 -0.483 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.709 -14.380 -1.119 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.053 -14.059 0.001 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.943 -11.829 -3.549 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.989 -11.512 -4.593 1.00 0.00 C ATOM 1156 C VAL A 86 -5.692 -12.271 -4.352 1.00 0.00 C ATOM 1157 O VAL A 86 -5.275 -12.444 -3.209 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.740 -10.007 -4.613 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -6.455 -9.519 -3.195 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -5.540 -9.702 -5.506 1.00 0.00 C ATOM 0 H VAL A 86 -7.940 -11.177 -2.765 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.389 -11.813 -5.561 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.622 -9.498 -5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.277 -8.444 -3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.311 -9.737 -2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.573 -10.028 -2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.361 -8.627 -5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.658 -10.211 -5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.742 -10.050 -6.519 1.00 0.00 H new ATOM 1170 N ASP A 87 -5.053 -12.724 -5.434 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.810 -13.460 -5.335 1.00 0.00 C ATOM 1172 C ASP A 87 -2.634 -12.517 -5.547 1.00 0.00 C ATOM 1173 O ASP A 87 -2.261 -12.234 -6.683 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.799 -14.580 -6.371 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.221 -15.903 -5.747 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.264 -15.953 -4.499 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -4.492 -16.839 -6.530 1.00 0.00 O ATOM 0 H ASP A 87 -5.386 -12.588 -6.389 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.722 -13.901 -4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.472 -14.329 -7.191 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.800 -14.677 -6.797 1.00 0.00 H new ATOM 1182 N CYS A 88 -2.051 -12.031 -4.449 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.923 -11.123 -4.520 1.00 0.00 C ATOM 1184 C CYS A 88 0.191 -11.751 -5.345 1.00 0.00 C ATOM 1185 O CYS A 88 1.070 -11.050 -5.840 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.438 -10.805 -3.108 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.596 -9.060 -2.653 1.00 0.00 S ATOM 0 H CYS A 88 -2.349 -12.257 -3.500 1.00 0.00 H new ATOM 0 HA CYS A 88 -1.227 -10.194 -5.003 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -1.002 -11.408 -2.396 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.607 -11.100 -3.018 1.00 0.00 H new ATOM 1192 N THR A 89 0.154 -13.078 -5.492 1.00 0.00 N ATOM 1193 CA THR A 89 1.160 -13.787 -6.256 1.00 0.00 C ATOM 1194 C THR A 89 0.742 -13.865 -7.718 1.00 0.00 C ATOM 1195 O THR A 89 1.447 -14.451 -8.537 1.00 0.00 O ATOM 1196 CB THR A 89 1.349 -15.184 -5.673 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.194 -15.956 -5.918 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.581 -15.080 -4.168 1.00 0.00 C ATOM 0 H THR A 89 -0.567 -13.676 -5.088 1.00 0.00 H new ATOM 0 HA THR A 89 2.108 -13.251 -6.199 1.00 0.00 H new ATOM 0 HB THR A 89 2.210 -15.660 -6.142 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.316 -16.854 -5.545 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.716 -16.078 -3.751 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.473 -14.483 -3.978 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.720 -14.604 -3.699 1.00 0.00 H new ATOM 1206 N THR A 90 -0.408 -13.272 -8.044 1.00 0.00 N ATOM 1207 CA THR A 90 -0.909 -13.279 -9.403 1.00 0.00 C ATOM 1208 C THR A 90 -0.915 -11.863 -9.961 1.00 0.00 C ATOM 1209 O THR A 90 -0.806 -11.668 -11.170 1.00 0.00 O ATOM 1210 CB THR A 90 -2.315 -13.873 -9.423 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.230 -15.280 -9.425 1.00 0.00 O ATOM 1212 CG2 THR A 90 -3.047 -13.405 -10.678 1.00 0.00 C ATOM 0 H THR A 90 -1.005 -12.782 -7.378 1.00 0.00 H new ATOM 0 HA THR A 90 -0.260 -13.891 -10.029 1.00 0.00 H new ATOM 0 HB THR A 90 -2.862 -13.543 -8.540 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.132 -15.662 -9.436 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.051 -13.829 -10.693 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.112 -12.317 -10.677 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.501 -13.735 -11.562 1.00 0.00 H new ATOM 1220 N ALA A 91 -1.041 -10.872 -9.075 1.00 0.00 N ATOM 1221 CA ALA A 91 -1.061 -9.481 -9.481 1.00 0.00 C ATOM 1222 C ALA A 91 0.026 -8.713 -8.742 1.00 0.00 C ATOM 1223 O ALA A 91 0.751 -9.285 -7.931 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.436 -8.887 -9.190 1.00 0.00 C ATOM 0 H ALA A 91 -1.131 -11.017 -8.069 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.867 -9.407 -10.551 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.452 -7.841 -9.495 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.195 -9.438 -9.744 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.644 -8.957 -8.122 1.00 0.00 H new ATOM 1230 N ALA A 92 0.137 -7.413 -9.024 1.00 0.00 N ATOM 1231 CA ALA A 92 1.134 -6.575 -8.388 1.00 0.00 C ATOM 1232 C ALA A 92 0.508 -5.827 -7.219 1.00 0.00 C ATOM 1233 O ALA A 92 -0.472 -5.107 -7.395 1.00 0.00 O ATOM 1234 CB ALA A 92 1.705 -5.599 -9.412 1.00 0.00 C ATOM 0 H ALA A 92 -0.458 -6.924 -9.693 1.00 0.00 H new ATOM 0 HA ALA A 92 1.945 -7.194 -8.005 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.455 -4.968 -8.935 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.165 -6.156 -10.228 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.903 -4.975 -9.806 1.00 0.00 H new ATOM 1240 N CYS A 93 1.078 -6.000 -6.024 1.00 0.00 N ATOM 1241 CA CYS A 93 0.575 -5.343 -4.835 1.00 0.00 C ATOM 1242 C CYS A 93 1.493 -4.189 -4.457 1.00 0.00 C ATOM 1243 O CYS A 93 2.660 -4.171 -4.841 1.00 0.00 O ATOM 1244 CB CYS A 93 0.481 -6.355 -3.696 1.00 0.00 C ATOM 1245 SG CYS A 93 0.409 -8.077 -4.248 1.00 0.00 S ATOM 0 H CYS A 93 1.891 -6.594 -5.863 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.420 -4.942 -5.029 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.343 -6.230 -3.040 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.406 -6.137 -3.102 1.00 0.00 H new ATOM 1250 N GLN A 94 0.963 -3.224 -3.702 1.00 0.00 N ATOM 1251 CA GLN A 94 1.736 -2.074 -3.278 1.00 0.00 C ATOM 1252 C GLN A 94 1.128 -1.479 -2.017 1.00 0.00 C ATOM 1253 O GLN A 94 -0.090 -1.477 -1.853 1.00 0.00 O ATOM 1254 CB GLN A 94 1.767 -1.043 -4.403 1.00 0.00 C ATOM 1255 CG GLN A 94 0.729 0.042 -4.128 1.00 0.00 C ATOM 1256 CD GLN A 94 0.292 0.715 -5.421 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -0.555 0.191 -6.140 1.00 0.00 O ATOM 1258 NE2 GLN A 94 0.874 1.881 -5.715 1.00 0.00 N ATOM 0 H GLN A 94 -0.003 -3.224 -3.375 1.00 0.00 H new ATOM 0 HA GLN A 94 2.758 -2.380 -3.053 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.760 -0.600 -4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.560 -1.525 -5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.137 -0.395 -3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.146 0.786 -3.449 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.573 2.275 -5.085 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.620 2.377 -6.569 1.00 0.00 H new ATOM 1267 N VAL A 95 1.980 -0.971 -1.123 1.00 0.00 N ATOM 1268 CA VAL A 95 1.525 -0.376 0.117 1.00 0.00 C ATOM 1269 C VAL A 95 1.363 1.127 -0.063 1.00 0.00 C ATOM 1270 O VAL A 95 1.979 1.718 -0.946 1.00 0.00 O ATOM 1271 CB VAL A 95 2.526 -0.684 1.226 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.329 0.299 2.377 1.00 0.00 C ATOM 1273 CG2 VAL A 95 2.305 -2.107 1.729 1.00 0.00 C ATOM 0 H VAL A 95 2.993 -0.964 -1.244 1.00 0.00 H new ATOM 0 HA VAL A 95 0.558 -0.795 0.394 1.00 0.00 H new ATOM 0 HB VAL A 95 3.540 -0.589 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.044 0.079 3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.487 1.316 2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.315 0.205 2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.020 -2.328 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.291 -2.202 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.446 -2.809 0.907 1.00 0.00 H new ATOM 1283 N GLY A 96 0.532 1.745 0.779 1.00 0.00 N ATOM 1284 CA GLY A 96 0.297 3.174 0.705 1.00 0.00 C ATOM 1285 C GLY A 96 -0.542 3.633 1.889 1.00 0.00 C ATOM 1286 O GLY A 96 -1.133 2.813 2.590 1.00 0.00 O ATOM 0 H GLY A 96 0.014 1.270 1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.248 3.706 0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.213 3.418 -0.227 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.594 4.948 2.112 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.358 5.509 3.207 1.00 0.00 C ATOM 1292 C LEU A 97 -2.127 6.733 2.728 1.00 0.00 C ATOM 1293 O LEU A 97 -1.629 7.497 1.904 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.416 5.877 4.350 1.00 0.00 C ATOM 1295 CG LEU A 97 0.473 7.041 3.921 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.653 8.002 5.092 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.835 6.508 3.485 1.00 0.00 C ATOM 0 H LEU A 97 -0.110 5.640 1.540 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.075 4.772 3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.990 6.151 5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.197 5.018 4.621 1.00 0.00 H new ATOM 0 HG LEU A 97 0.006 7.567 3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.288 8.833 4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.320 8.383 5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.120 7.477 5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.470 7.339 3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.303 5.981 4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.706 5.822 2.648 1.00 0.00 H new ATOM 1309 N SER A 98 -3.343 6.917 3.246 1.00 0.00 N ATOM 1310 CA SER A 98 -4.171 8.045 2.870 1.00 0.00 C ATOM 1311 C SER A 98 -4.761 8.691 4.115 1.00 0.00 C ATOM 1312 O SER A 98 -5.038 8.009 5.099 1.00 0.00 O ATOM 1313 CB SER A 98 -5.276 7.572 1.929 1.00 0.00 C ATOM 1314 OG SER A 98 -4.784 7.533 0.608 1.00 0.00 O ATOM 0 H SER A 98 -3.770 6.292 3.929 1.00 0.00 H new ATOM 0 HA SER A 98 -3.565 8.789 2.353 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.624 6.583 2.228 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.132 8.244 1.990 1.00 0.00 H new ATOM 0 HG SER A 98 -5.493 7.228 0.004 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.956 10.011 4.069 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.512 10.740 5.191 1.00 0.00 C ATOM 1322 C ASP A 99 -7.021 10.861 5.030 1.00 0.00 C ATOM 1323 O ASP A 99 -7.613 10.184 4.193 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.864 12.120 5.271 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.722 13.165 4.572 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.957 12.986 3.357 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -6.126 14.123 5.265 1.00 0.00 O ATOM 0 H ASP A 99 -4.733 10.591 3.260 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.307 10.203 6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.722 12.399 6.315 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.876 12.089 4.812 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.641 11.727 5.834 1.00 0.00 N ATOM 1333 CA ALA A 100 -9.075 11.931 5.777 1.00 0.00 C ATOM 1334 C ALA A 100 -9.478 12.370 4.377 1.00 0.00 C ATOM 1335 O ALA A 100 -10.395 11.804 3.787 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.480 12.978 6.810 1.00 0.00 C ATOM 0 H ALA A 100 -7.163 12.297 6.532 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.589 10.997 6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.558 13.132 6.768 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.201 12.634 7.806 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.970 13.917 6.595 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.790 13.384 3.846 1.00 0.00 N ATOM 1343 CA ALA A 101 -9.080 13.894 2.521 1.00 0.00 C ATOM 1344 C ALA A 101 -8.691 12.859 1.474 1.00 0.00 C ATOM 1345 O ALA A 101 -9.231 12.858 0.370 1.00 0.00 O ATOM 1346 CB ALA A 101 -8.319 15.198 2.302 1.00 0.00 C ATOM 0 H ALA A 101 -8.027 13.864 4.323 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.148 14.092 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.536 15.583 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.628 15.929 3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.249 15.015 2.395 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.751 11.977 1.822 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.300 10.947 0.909 1.00 0.00 C ATOM 1354 C GLY A 102 -5.972 11.345 0.280 1.00 0.00 C ATOM 1355 O GLY A 102 -5.757 11.129 -0.911 1.00 0.00 O ATOM 0 H GLY A 102 -7.292 11.963 2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.190 10.002 1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.046 10.789 0.130 1.00 0.00 H new ATOM 1359 N ASN A 103 -5.080 11.928 1.083 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.781 12.352 0.601 1.00 0.00 C ATOM 1361 C ASN A 103 -2.682 11.666 1.400 1.00 0.00 C ATOM 1362 O ASN A 103 -2.964 10.863 2.287 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.667 13.869 0.718 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.198 14.352 2.060 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -5.201 15.060 2.113 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.523 13.967 3.145 1.00 0.00 N ATOM 0 H ASN A 103 -5.242 12.114 2.073 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.669 12.071 -0.446 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.625 14.169 0.605 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.224 14.343 -0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.835 14.261 4.071 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -2.695 13.379 3.049 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.424 11.984 1.084 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.294 11.396 1.776 1.00 0.00 C ATOM 1375 C GLY A 104 0.766 10.957 0.775 1.00 0.00 C ATOM 1376 O GLY A 104 0.635 11.204 -0.422 1.00 0.00 O ATOM 0 H GLY A 104 -1.171 12.647 0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.131 12.118 2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.624 10.541 2.365 1.00 0.00 H new ATOM 1380 N PRO A 105 1.820 10.302 1.269 1.00 0.00 N ATOM 1381 CA PRO A 105 2.921 9.809 0.471 1.00 0.00 C ATOM 1382 C PRO A 105 2.465 8.605 -0.340 1.00 0.00 C ATOM 1383 O PRO A 105 1.801 7.714 0.186 1.00 0.00 O ATOM 1384 CB PRO A 105 3.992 9.412 1.485 1.00 0.00 C ATOM 1385 CG PRO A 105 3.168 9.004 2.705 1.00 0.00 C ATOM 1386 CD PRO A 105 2.006 9.994 2.671 1.00 0.00 C ATOM 0 HA PRO A 105 3.295 10.547 -0.238 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.609 8.591 1.121 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.664 10.241 1.709 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.823 7.972 2.634 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.743 9.086 3.628 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.104 9.560 3.103 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.235 10.891 3.246 1.00 0.00 H new ATOM 1394 N GLU A 106 2.821 8.579 -1.627 1.00 0.00 N ATOM 1395 CA GLU A 106 2.444 7.486 -2.500 1.00 0.00 C ATOM 1396 C GLU A 106 3.619 7.103 -3.389 1.00 0.00 C ATOM 1397 O GLU A 106 4.359 7.969 -3.852 1.00 0.00 O ATOM 1398 CB GLU A 106 1.241 7.900 -3.342 1.00 0.00 C ATOM 1399 CG GLU A 106 1.285 9.405 -3.587 1.00 0.00 C ATOM 1400 CD GLU A 106 0.058 9.866 -4.360 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.196 9.270 -5.429 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.603 10.806 -3.868 1.00 0.00 O ATOM 0 H GLU A 106 3.371 9.309 -2.080 1.00 0.00 H new ATOM 0 HA GLU A 106 2.171 6.617 -1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.248 7.366 -4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 106 0.316 7.631 -2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.338 9.931 -2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 106 2.187 9.661 -4.143 1.00 0.00 H new ATOM 1409 N GLY A 107 3.790 5.801 -3.629 1.00 0.00 N ATOM 1410 CA GLY A 107 4.873 5.316 -4.461 1.00 0.00 C ATOM 1411 C GLY A 107 5.526 4.100 -3.821 1.00 0.00 C ATOM 1412 O GLY A 107 6.727 4.102 -3.560 1.00 0.00 O ATOM 0 H GLY A 107 3.187 5.069 -3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.493 5.056 -5.449 1.00 0.00 H new ATOM 0 HA3 GLY A 107 5.614 6.103 -4.601 1.00 0.00 H new ATOM 1416 N VAL A 108 4.731 3.058 -3.567 1.00 0.00 N ATOM 1417 CA VAL A 108 5.233 1.842 -2.960 1.00 0.00 C ATOM 1418 C VAL A 108 4.697 0.632 -3.711 1.00 0.00 C ATOM 1419 O VAL A 108 3.541 0.252 -3.536 1.00 0.00 O ATOM 1420 CB VAL A 108 4.814 1.797 -1.493 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.125 0.419 -0.917 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.582 2.860 -0.712 1.00 0.00 C ATOM 0 H VAL A 108 3.733 3.041 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 108 6.322 1.826 -3.014 1.00 0.00 H new ATOM 0 HB VAL A 108 3.744 1.990 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.826 0.387 0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.577 -0.341 -1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.195 0.225 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.283 2.828 0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.652 2.667 -0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.360 3.845 -1.123 1.00 0.00 H new ATOM 1432 N ALA A 109 5.541 0.026 -4.549 1.00 0.00 N ATOM 1433 CA ALA A 109 5.149 -1.135 -5.322 1.00 0.00 C ATOM 1434 C ALA A 109 5.604 -2.403 -4.614 1.00 0.00 C ATOM 1435 O ALA A 109 6.575 -2.381 -3.861 1.00 0.00 O ATOM 1436 CB ALA A 109 5.759 -1.046 -6.718 1.00 0.00 C ATOM 0 H ALA A 109 6.503 0.328 -4.704 1.00 0.00 H new ATOM 0 HA ALA A 109 4.063 -1.165 -5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.464 -1.919 -7.300 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.403 -0.143 -7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.846 -1.012 -6.639 1.00 0.00 H new ATOM 1442 N ILE A 110 4.900 -3.511 -4.858 1.00 0.00 N ATOM 1443 CA ILE A 110 5.234 -4.782 -4.247 1.00 0.00 C ATOM 1444 C ILE A 110 5.600 -5.792 -5.325 1.00 0.00 C ATOM 1445 O ILE A 110 5.304 -5.583 -6.500 1.00 0.00 O ATOM 1446 CB ILE A 110 4.049 -5.276 -3.422 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.172 -4.090 -3.029 1.00 0.00 C ATOM 1448 CG2 ILE A 110 4.560 -5.969 -2.162 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.581 -4.331 -1.643 1.00 0.00 C ATOM 0 H ILE A 110 4.092 -3.544 -5.479 1.00 0.00 H new ATOM 0 HA ILE A 110 6.093 -4.658 -3.587 1.00 0.00 H new ATOM 0 HB ILE A 110 3.464 -5.981 -4.013 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.761 -3.173 -3.030 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.373 -3.957 -3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.714 -6.322 -1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.186 -6.816 -2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.145 -5.264 -1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 110 1.955 -3.484 -1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 110 1.978 -5.239 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.387 -4.442 -0.918 1.00 0.00 H new ATOM 1461 N SER A 111 6.245 -6.890 -4.924 1.00 0.00 N ATOM 1462 CA SER A 111 6.646 -7.924 -5.856 1.00 0.00 C ATOM 1463 C SER A 111 6.948 -9.211 -5.102 1.00 0.00 C ATOM 1464 O SER A 111 7.682 -9.197 -4.116 1.00 0.00 O ATOM 1465 CB SER A 111 7.869 -7.455 -6.639 1.00 0.00 C ATOM 1466 OG SER A 111 7.695 -7.756 -8.006 1.00 0.00 O ATOM 0 H SER A 111 6.498 -7.078 -3.954 1.00 0.00 H new ATOM 0 HA SER A 111 5.835 -8.121 -6.558 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.010 -6.382 -6.507 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.767 -7.943 -6.259 1.00 0.00 H new ATOM 0 HG SER A 111 8.467 -7.429 -8.514 1.00 0.00 H new ATOM 1472 N PHE A 112 6.382 -10.326 -5.569 1.00 0.00 N ATOM 1473 CA PHE A 112 6.595 -11.612 -4.937 1.00 0.00 C ATOM 1474 C PHE A 112 7.484 -12.479 -5.817 1.00 0.00 C ATOM 1475 O PHE A 112 7.135 -12.772 -6.958 1.00 0.00 O ATOM 1476 CB PHE A 112 5.249 -12.289 -4.695 1.00 0.00 C ATOM 1477 CG PHE A 112 4.176 -11.341 -4.215 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.407 -10.626 -5.141 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.951 -11.174 -2.843 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.414 -9.746 -4.696 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.958 -10.294 -2.398 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.189 -9.580 -3.324 1.00 0.00 C ATOM 0 H PHE A 112 5.772 -10.355 -6.386 1.00 0.00 H new ATOM 0 HA PHE A 112 7.094 -11.471 -3.978 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.918 -12.762 -5.619 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.377 -13.083 -3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.580 -10.754 -6.199 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.544 -11.725 -2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.821 -9.195 -5.411 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.785 -10.166 -1.340 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.422 -8.901 -2.980 1.00 0.00 H new ATOM 1492 N ASN A 113 8.638 -12.889 -5.285 1.00 0.00 N ATOM 1493 CA ASN A 113 9.568 -13.718 -6.024 1.00 0.00 C ATOM 1494 C ASN A 113 9.985 -13.013 -7.307 1.00 0.00 C ATOM 1495 O ASN A 113 9.537 -11.902 -7.582 1.00 0.00 O ATOM 1496 CB ASN A 113 8.913 -15.061 -6.334 1.00 0.00 C ATOM 1497 CG ASN A 113 9.858 -15.958 -7.121 1.00 0.00 C ATOM 1498 OD1 ASN A 113 9.519 -16.417 -8.209 1.00 0.00 O ATOM 1499 ND2 ASN A 113 11.048 -16.205 -6.568 1.00 0.00 N ATOM 0 H ASN A 113 8.943 -12.654 -4.341 1.00 0.00 H new ATOM 0 HA ASN A 113 10.461 -13.892 -5.424 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.627 -15.554 -5.405 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.998 -14.901 -6.904 1.00 0.00 H new ATOM 0 HD21 ASN A 113 11.722 -16.798 -7.052 1.00 0.00 H new ATOM 0 HD22 ASN A 113 11.283 -15.800 -5.662 1.00 0.00 H new