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= -0.0841 USER MOD Set 1.2: A 65 THR OG1 : rot -170:sc= -0.204 USER MOD Set 2.1: A 27 GLN : amide:sc= -0.388 K(o=-43,f=-34) USER MOD Set 2.2: A 32 TYR OH : rot 15:sc= 0.398 USER MOD Set 2.3: A 103 ASN : amide:sc= -42.6! C(o=-43!,f=-34!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -3.39! USER MOD Single : A 8 THR OG1 : rot -138:sc= -6.32! USER MOD Single : A 10 SER OG : rot -170:sc= 0 USER MOD Single : A 11 SER OG : rot 52:sc= 1.01 USER MOD Single : A 14 SER OG : rot 180:sc= -0.168 USER MOD Single : A 17 THR OG1 : rot 97:sc= 0.102 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -150:sc= -0.274 USER MOD Single : A 36 GLN : amide:sc= -10.3! C(o=-10!,f=-12!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -4.5! C(o=-4.5!,f=-22!) 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= -0.174 K(o=-0.17,f=-1.9!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.305 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 160:sc= -0.221 USER MOD Single : A 72 SER OG : rot 3:sc= 0.485 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0828 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= -0.137 K(o=-0.14,f=-1.4!) USER MOD Single : A 98 SER OG : rot 180:sc= -0.451 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.0249 X(o=-0.025,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 2 3.079 11.604 -5.353 1.00 0.00 N ATOM 12 CA ALA A 2 3.683 10.706 -4.390 1.00 0.00 C ATOM 13 C ALA A 2 4.935 11.343 -3.805 1.00 0.00 C ATOM 14 O ALA A 2 5.838 11.732 -4.543 1.00 0.00 O ATOM 15 CB ALA A 2 4.017 9.382 -5.071 1.00 0.00 C ATOM 0 HA ALA A 2 2.983 10.515 -3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.472 8.705 -4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.104 8.934 -5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.714 9.560 -5.890 1.00 0.00 H new ATOM 21 N PRO A 3 4.988 11.450 -2.476 1.00 0.00 N ATOM 22 CA PRO A 3 6.097 12.026 -1.747 1.00 0.00 C ATOM 23 C PRO A 3 7.284 11.074 -1.788 1.00 0.00 C ATOM 24 O PRO A 3 7.220 10.026 -2.425 1.00 0.00 O ATOM 25 CB PRO A 3 5.581 12.197 -0.319 1.00 0.00 C ATOM 26 CG PRO A 3 4.569 11.059 -0.187 1.00 0.00 C ATOM 27 CD PRO A 3 3.944 11.003 -1.579 1.00 0.00 C ATOM 0 HA PRO A 3 6.434 12.974 -2.167 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.383 12.112 0.414 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.116 13.171 -0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.050 10.118 0.079 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.825 11.266 0.583 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.618 9.992 -1.825 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.066 11.646 -1.644 1.00 0.00 H new ATOM 35 N THR A 4 8.371 11.443 -1.106 1.00 0.00 N ATOM 36 CA THR A 4 9.563 10.620 -1.072 1.00 0.00 C ATOM 37 C THR A 4 9.554 9.745 0.174 1.00 0.00 C ATOM 38 O THR A 4 9.736 10.240 1.284 1.00 0.00 O ATOM 39 CB THR A 4 10.799 11.514 -1.095 1.00 0.00 C ATOM 40 OG1 THR A 4 11.102 11.862 -2.427 1.00 0.00 O ATOM 41 CG2 THR A 4 11.980 10.767 -0.483 1.00 0.00 C ATOM 0 H THR A 4 8.442 12.309 -0.572 1.00 0.00 H new ATOM 0 HA THR A 4 9.584 9.970 -1.947 1.00 0.00 H new ATOM 0 HB THR A 4 10.604 12.418 -0.518 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.895 12.438 -2.442 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.863 11.406 -0.500 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.746 10.498 0.547 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.176 9.862 -1.059 1.00 0.00 H new ATOM 49 N ALA A 5 9.342 8.441 -0.014 1.00 0.00 N ATOM 50 CA ALA A 5 9.309 7.505 1.092 1.00 0.00 C ATOM 51 C ALA A 5 10.239 6.335 0.805 1.00 0.00 C ATOM 52 O ALA A 5 10.376 5.916 -0.343 1.00 0.00 O ATOM 53 CB ALA A 5 7.878 7.019 1.304 1.00 0.00 C ATOM 0 H ALA A 5 9.191 8.016 -0.929 1.00 0.00 H new ATOM 0 HA ALA A 5 9.649 7.999 2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.852 6.315 2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.234 7.870 1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.524 6.525 0.399 1.00 0.00 H new ATOM 59 N THR A 6 10.878 5.806 1.851 1.00 0.00 N ATOM 60 CA THR A 6 11.789 4.689 1.701 1.00 0.00 C ATOM 61 C THR A 6 11.127 3.411 2.195 1.00 0.00 C ATOM 62 O THR A 6 10.881 3.257 3.389 1.00 0.00 O ATOM 63 CB THR A 6 13.070 4.970 2.480 1.00 0.00 C ATOM 64 OG1 THR A 6 12.761 5.706 3.642 1.00 0.00 O ATOM 65 CG2 THR A 6 14.030 5.775 1.608 1.00 0.00 C ATOM 0 H THR A 6 10.775 6.140 2.809 1.00 0.00 H new ATOM 0 HA THR A 6 12.040 4.560 0.648 1.00 0.00 H new ATOM 0 HB THR A 6 13.539 4.027 2.761 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.583 5.886 4.144 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.945 5.976 2.164 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.269 5.206 0.709 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.562 6.718 1.327 1.00 0.00 H new ATOM 73 N VAL A 7 10.839 2.491 1.271 1.00 0.00 N ATOM 74 CA VAL A 7 10.209 1.232 1.615 1.00 0.00 C ATOM 75 C VAL A 7 11.225 0.104 1.516 1.00 0.00 C ATOM 76 O VAL A 7 12.147 0.165 0.705 1.00 0.00 O ATOM 77 CB VAL A 7 9.030 0.982 0.678 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.268 -0.257 1.139 1.00 0.00 C ATOM 79 CG2 VAL A 7 8.098 2.190 0.700 1.00 0.00 C ATOM 0 H VAL A 7 11.037 2.604 0.277 1.00 0.00 H new ATOM 0 HA VAL A 7 9.840 1.273 2.640 1.00 0.00 H new ATOM 0 HB VAL A 7 9.398 0.826 -0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.426 -0.436 0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.934 -1.120 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.899 -0.101 2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.256 2.012 0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.729 2.347 1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.642 3.075 0.371 1.00 0.00 H new ATOM 89 N THR A 8 11.057 -0.929 2.345 1.00 0.00 N ATOM 90 CA THR A 8 11.960 -2.062 2.342 1.00 0.00 C ATOM 91 C THR A 8 11.818 -2.836 1.039 1.00 0.00 C ATOM 92 O THR A 8 11.001 -2.485 0.191 1.00 0.00 O ATOM 93 CB THR A 8 11.653 -2.959 3.539 1.00 0.00 C ATOM 94 OG1 THR A 8 12.858 -3.461 4.071 1.00 0.00 O ATOM 95 CG2 THR A 8 10.771 -4.121 3.091 1.00 0.00 C ATOM 0 H THR A 8 10.300 -0.996 3.025 1.00 0.00 H new ATOM 0 HA THR A 8 12.989 -1.710 2.421 1.00 0.00 H new ATOM 0 HB THR A 8 11.132 -2.381 4.302 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.746 -4.407 4.299 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.552 -4.762 3.945 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.839 -3.733 2.680 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.291 -4.700 2.328 1.00 0.00 H new ATOM 103 N PRO A 9 12.619 -3.892 0.882 1.00 0.00 N ATOM 104 CA PRO A 9 12.624 -4.745 -0.288 1.00 0.00 C ATOM 105 C PRO A 9 11.369 -5.605 -0.297 1.00 0.00 C ATOM 106 O PRO A 9 11.159 -6.411 0.607 1.00 0.00 O ATOM 107 CB PRO A 9 13.877 -5.605 -0.139 1.00 0.00 C ATOM 108 CG PRO A 9 14.037 -5.712 1.377 1.00 0.00 C ATOM 109 CD PRO A 9 13.592 -4.333 1.858 1.00 0.00 C ATOM 0 HA PRO A 9 12.632 -4.185 -1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.753 -6.584 -0.603 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.745 -5.139 -0.605 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.418 -6.506 1.795 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.067 -5.928 1.662 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.155 -4.385 2.855 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.435 -3.644 1.915 1.00 0.00 H new ATOM 117 N SER A 10 10.532 -5.432 -1.323 1.00 0.00 N ATOM 118 CA SER A 10 9.305 -6.192 -1.443 1.00 0.00 C ATOM 119 C SER A 10 9.379 -7.105 -2.660 1.00 0.00 C ATOM 120 O SER A 10 8.428 -7.190 -3.433 1.00 0.00 O ATOM 121 CB SER A 10 8.123 -5.233 -1.558 1.00 0.00 C ATOM 122 OG SER A 10 8.397 -4.266 -2.547 1.00 0.00 O ATOM 0 H SER A 10 10.691 -4.768 -2.080 1.00 0.00 H new ATOM 0 HA SER A 10 9.169 -6.812 -0.557 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.218 -5.784 -1.814 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.941 -4.747 -0.600 1.00 0.00 H new ATOM 0 HG SER A 10 7.716 -3.562 -2.514 1.00 0.00 H new ATOM 128 N SER A 11 10.513 -7.788 -2.826 1.00 0.00 N ATOM 129 CA SER A 11 10.703 -8.691 -3.944 1.00 0.00 C ATOM 130 C SER A 11 11.154 -10.053 -3.437 1.00 0.00 C ATOM 131 O SER A 11 12.299 -10.216 -3.022 1.00 0.00 O ATOM 132 CB SER A 11 11.735 -8.102 -4.902 1.00 0.00 C ATOM 133 OG SER A 11 12.998 -8.077 -4.275 1.00 0.00 O ATOM 0 H SER A 11 11.311 -7.727 -2.194 1.00 0.00 H new ATOM 0 HA SER A 11 9.761 -8.818 -4.478 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.782 -8.697 -5.814 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.442 -7.094 -5.194 1.00 0.00 H new ATOM 0 HG SER A 11 13.206 -8.968 -3.923 1.00 0.00 H new ATOM 139 N GLY A 12 10.249 -11.035 -3.472 1.00 0.00 N ATOM 140 CA GLY A 12 10.563 -12.375 -3.017 1.00 0.00 C ATOM 141 C GLY A 12 10.167 -12.542 -1.556 1.00 0.00 C ATOM 142 O GLY A 12 10.719 -13.385 -0.853 1.00 0.00 O ATOM 0 H GLY A 12 9.295 -10.918 -3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.037 -13.107 -3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.629 -12.567 -3.136 1.00 0.00 H new ATOM 146 N LEU A 13 9.206 -11.733 -1.101 1.00 0.00 N ATOM 147 CA LEU A 13 8.742 -11.794 0.270 1.00 0.00 C ATOM 148 C LEU A 13 7.523 -12.701 0.363 1.00 0.00 C ATOM 149 O LEU A 13 6.576 -12.552 -0.406 1.00 0.00 O ATOM 150 CB LEU A 13 8.407 -10.387 0.757 1.00 0.00 C ATOM 151 CG LEU A 13 9.465 -9.410 0.253 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.691 -8.321 1.298 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.773 -10.159 0.008 1.00 0.00 C ATOM 0 H LEU A 13 8.739 -11.029 -1.672 1.00 0.00 H new ATOM 0 HA LEU A 13 9.526 -12.207 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.422 -10.091 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.367 -10.367 1.846 1.00 0.00 H new ATOM 0 HG LEU A 13 9.126 -8.956 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.447 -7.623 0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.758 -7.786 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.030 -8.775 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.530 -9.462 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.112 -10.613 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.612 -10.937 -0.738 1.00 0.00 H new ATOM 165 N SER A 14 7.548 -13.643 1.308 1.00 0.00 N ATOM 166 CA SER A 14 6.446 -14.566 1.496 1.00 0.00 C ATOM 167 C SER A 14 5.559 -14.086 2.636 1.00 0.00 C ATOM 168 O SER A 14 5.934 -13.182 3.380 1.00 0.00 O ATOM 169 CB SER A 14 6.995 -15.959 1.788 1.00 0.00 C ATOM 170 OG SER A 14 5.924 -16.860 1.957 1.00 0.00 O ATOM 0 H SER A 14 8.326 -13.780 1.953 1.00 0.00 H new ATOM 0 HA SER A 14 5.844 -14.610 0.588 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.635 -16.288 0.970 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.612 -15.938 2.687 1.00 0.00 H new ATOM 0 HG SER A 14 6.276 -17.755 2.143 1.00 0.00 H new ATOM 176 N ASP A 15 4.378 -14.694 2.772 1.00 0.00 N ATOM 177 CA ASP A 15 3.445 -14.326 3.818 1.00 0.00 C ATOM 178 C ASP A 15 4.153 -14.336 5.165 1.00 0.00 C ATOM 179 O ASP A 15 4.982 -15.205 5.427 1.00 0.00 O ATOM 180 CB ASP A 15 2.271 -15.301 3.816 1.00 0.00 C ATOM 181 CG ASP A 15 2.580 -16.526 4.665 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.705 -17.050 4.517 1.00 0.00 O ATOM 183 OD2 ASP A 15 1.685 -16.915 5.446 1.00 0.00 O ATOM 0 H ASP A 15 4.052 -15.445 2.164 1.00 0.00 H new ATOM 0 HA ASP A 15 3.065 -13.321 3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.380 -14.804 4.199 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.050 -15.608 2.794 1.00 0.00 H new ATOM 188 N GLY A 16 3.824 -13.367 6.023 1.00 0.00 N ATOM 189 CA GLY A 16 4.432 -13.274 7.335 1.00 0.00 C ATOM 190 C GLY A 16 5.511 -12.201 7.342 1.00 0.00 C ATOM 191 O GLY A 16 5.843 -11.657 8.393 1.00 0.00 O ATOM 0 H GLY A 16 3.138 -12.639 5.824 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.672 -13.040 8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.864 -14.236 7.612 1.00 0.00 H new ATOM 195 N THR A 17 6.060 -11.896 6.164 1.00 0.00 N ATOM 196 CA THR A 17 7.097 -10.891 6.044 1.00 0.00 C ATOM 197 C THR A 17 6.499 -9.504 6.236 1.00 0.00 C ATOM 198 O THR A 17 5.320 -9.290 5.964 1.00 0.00 O ATOM 199 CB THR A 17 7.761 -11.007 4.675 1.00 0.00 C ATOM 200 OG1 THR A 17 8.518 -12.196 4.620 1.00 0.00 O ATOM 201 CG2 THR A 17 8.679 -9.809 4.451 1.00 0.00 C ATOM 0 H THR A 17 5.797 -12.337 5.283 1.00 0.00 H new ATOM 0 HA THR A 17 7.851 -11.049 6.815 1.00 0.00 H new ATOM 0 HB THR A 17 6.995 -11.027 3.900 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.990 -12.901 4.190 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.153 -9.892 3.473 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.095 -8.890 4.494 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.446 -9.788 5.226 1.00 0.00 H new ATOM 209 N VAL A 18 7.318 -8.561 6.708 1.00 0.00 N ATOM 210 CA VAL A 18 6.869 -7.202 6.934 1.00 0.00 C ATOM 211 C VAL A 18 7.792 -6.229 6.216 1.00 0.00 C ATOM 212 O VAL A 18 9.012 -6.321 6.339 1.00 0.00 O ATOM 213 CB VAL A 18 6.845 -6.918 8.434 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.271 -6.918 8.975 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.206 -5.555 8.683 1.00 0.00 C ATOM 0 H VAL A 18 8.298 -8.723 6.939 1.00 0.00 H new ATOM 0 HA VAL A 18 5.861 -7.076 6.538 1.00 0.00 H new ATOM 0 HB VAL A 18 6.265 -7.689 8.941 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.254 -6.715 10.046 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.728 -7.892 8.797 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.852 -6.147 8.469 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.188 -5.352 9.754 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.786 -4.783 8.176 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.187 -5.555 8.297 1.00 0.00 H new ATOM 225 N VAL A 19 7.207 -5.293 5.465 1.00 0.00 N ATOM 226 CA VAL A 19 7.978 -4.308 4.732 1.00 0.00 C ATOM 227 C VAL A 19 8.038 -3.009 5.522 1.00 0.00 C ATOM 228 O VAL A 19 7.331 -2.851 6.515 1.00 0.00 O ATOM 229 CB VAL A 19 7.341 -4.080 3.364 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.719 -5.225 2.429 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.823 -4.025 3.513 1.00 0.00 C ATOM 0 H VAL A 19 6.197 -5.203 5.354 1.00 0.00 H new ATOM 0 HA VAL A 19 8.996 -4.670 4.588 1.00 0.00 H new ATOM 0 HB VAL A 19 7.700 -3.138 2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.264 -5.062 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.803 -5.265 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.360 -6.167 2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.367 -3.862 2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.464 -4.966 3.929 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.552 -3.207 4.181 1.00 0.00 H new ATOM 241 N LYS A 20 8.886 -2.078 5.080 1.00 0.00 N ATOM 242 CA LYS A 20 9.033 -0.800 5.748 1.00 0.00 C ATOM 243 C LYS A 20 8.606 0.324 4.815 1.00 0.00 C ATOM 244 O LYS A 20 8.730 0.205 3.598 1.00 0.00 O ATOM 245 CB LYS A 20 10.483 -0.618 6.185 1.00 0.00 C ATOM 246 CG LYS A 20 10.521 -0.014 7.585 1.00 0.00 C ATOM 247 CD LYS A 20 10.543 1.508 7.483 1.00 0.00 C ATOM 248 CE LYS A 20 11.494 2.076 8.532 1.00 0.00 C ATOM 249 NZ LYS A 20 12.678 2.679 7.901 1.00 0.00 N ATOM 0 H LYS A 20 9.480 -2.194 4.259 1.00 0.00 H new ATOM 0 HA LYS A 20 8.395 -0.773 6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.999 -1.578 6.178 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.007 0.031 5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.651 -0.338 8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.403 -0.366 8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.862 1.811 6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.540 1.907 7.632 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.975 2.825 9.130 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.805 1.284 9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.308 3.058 8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.184 1.956 7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.380 3.450 7.270 1.00 0.00 H new ATOM 263 N VAL A 21 8.102 1.419 5.389 1.00 0.00 N ATOM 264 CA VAL A 21 7.660 2.558 4.609 1.00 0.00 C ATOM 265 C VAL A 21 7.973 3.846 5.356 1.00 0.00 C ATOM 266 O VAL A 21 7.348 4.145 6.371 1.00 0.00 O ATOM 267 CB VAL A 21 6.163 2.439 4.340 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.390 3.196 5.417 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.843 3.033 2.972 1.00 0.00 C ATOM 0 H VAL A 21 7.993 1.533 6.397 1.00 0.00 H new ATOM 0 HA VAL A 21 8.187 2.577 3.655 1.00 0.00 H new ATOM 0 HB VAL A 21 5.874 1.388 4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.320 3.111 5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.618 2.771 6.395 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.679 4.247 5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.773 2.948 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.132 4.084 2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.394 2.492 2.203 1.00 0.00 H new ATOM 279 N ALA A 22 8.945 4.610 4.851 1.00 0.00 N ATOM 280 CA ALA A 22 9.336 5.859 5.472 1.00 0.00 C ATOM 281 C ALA A 22 9.100 7.011 4.505 1.00 0.00 C ATOM 282 O ALA A 22 9.742 7.088 3.460 1.00 0.00 O ATOM 283 CB ALA A 22 10.805 5.787 5.878 1.00 0.00 C ATOM 0 H ALA A 22 9.472 4.376 4.010 1.00 0.00 H new ATOM 0 HA ALA A 22 8.734 6.030 6.365 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.100 6.727 6.345 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.947 4.970 6.585 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.419 5.613 4.994 1.00 0.00 H new ATOM 289 N GLY A 23 8.176 7.909 4.855 1.00 0.00 N ATOM 290 CA GLY A 23 7.864 9.047 4.015 1.00 0.00 C ATOM 291 C GLY A 23 8.869 10.167 4.250 1.00 0.00 C ATOM 292 O GLY A 23 9.361 10.339 5.362 1.00 0.00 O ATOM 0 H GLY A 23 7.635 7.862 5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.879 8.749 2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.856 9.402 4.231 1.00 0.00 H new ATOM 296 N ALA A 24 9.172 10.928 3.196 1.00 0.00 N ATOM 297 CA ALA A 24 10.116 12.023 3.290 1.00 0.00 C ATOM 298 C ALA A 24 9.733 13.120 2.306 1.00 0.00 C ATOM 299 O ALA A 24 9.842 12.936 1.096 1.00 0.00 O ATOM 300 CB ALA A 24 11.523 11.508 3.004 1.00 0.00 C ATOM 0 H ALA A 24 8.771 10.798 2.267 1.00 0.00 H new ATOM 0 HA ALA A 24 10.094 12.441 4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.233 12.332 3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.784 10.740 3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.558 11.084 2.001 1.00 0.00 H new ATOM 306 N GLY A 25 9.282 14.263 2.828 1.00 0.00 N ATOM 307 CA GLY A 25 8.887 15.378 1.991 1.00 0.00 C ATOM 308 C GLY A 25 7.370 15.452 1.893 1.00 0.00 C ATOM 309 O GLY A 25 6.834 16.161 1.044 1.00 0.00 O ATOM 0 H GLY A 25 9.184 14.432 3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.278 16.308 2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.318 15.265 0.996 1.00 0.00 H new ATOM 313 N LEU A 26 6.677 14.715 2.765 1.00 0.00 N ATOM 314 CA LEU A 26 5.228 14.700 2.774 1.00 0.00 C ATOM 315 C LEU A 26 4.705 15.797 3.691 1.00 0.00 C ATOM 316 O LEU A 26 5.459 16.361 4.480 1.00 0.00 O ATOM 317 CB LEU A 26 4.737 13.331 3.234 1.00 0.00 C ATOM 318 CG LEU A 26 5.912 12.358 3.280 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.652 12.516 4.605 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.395 10.928 3.153 1.00 0.00 C ATOM 0 H LEU A 26 7.107 14.121 3.474 1.00 0.00 H new ATOM 0 HA LEU A 26 4.853 14.887 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.278 13.410 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.970 12.960 2.554 1.00 0.00 H new ATOM 0 HG LEU A 26 6.593 12.572 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.491 11.821 4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.023 13.537 4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.972 12.303 5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.234 10.233 3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.714 10.713 3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.867 10.815 2.206 1.00 0.00 H new ATOM 332 N GLN A 27 3.409 16.098 3.584 1.00 0.00 N ATOM 333 CA GLN A 27 2.794 17.124 4.402 1.00 0.00 C ATOM 334 C GLN A 27 3.218 16.951 5.854 1.00 0.00 C ATOM 335 O GLN A 27 2.958 15.914 6.460 1.00 0.00 O ATOM 336 CB GLN A 27 1.276 17.036 4.268 1.00 0.00 C ATOM 337 CG GLN A 27 0.861 17.488 2.871 1.00 0.00 C ATOM 338 CD GLN A 27 -0.651 17.428 2.709 1.00 0.00 C ATOM 339 OE1 GLN A 27 -1.301 18.458 2.543 1.00 0.00 O ATOM 340 NE2 GLN A 27 -1.211 16.217 2.757 1.00 0.00 N ATOM 0 H GLN A 27 2.770 15.639 2.934 1.00 0.00 H new ATOM 0 HA GLN A 27 3.120 18.108 4.065 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.943 16.013 4.444 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.797 17.661 5.021 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.210 18.506 2.695 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.337 16.854 2.123 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.629 15.391 2.897 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.221 16.118 2.654 1.00 0.00 H new ATOM 349 N ALA A 28 3.873 17.972 6.411 1.00 0.00 N ATOM 350 CA ALA A 28 4.330 17.928 7.785 1.00 0.00 C ATOM 351 C ALA A 28 3.143 18.072 8.728 1.00 0.00 C ATOM 352 O ALA A 28 2.321 18.969 8.561 1.00 0.00 O ATOM 353 CB ALA A 28 5.344 19.045 8.019 1.00 0.00 C ATOM 0 H ALA A 28 4.095 18.839 5.922 1.00 0.00 H new ATOM 0 HA ALA A 28 4.812 16.970 7.982 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.689 19.013 9.053 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.193 18.912 7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.875 20.009 7.823 1.00 0.00 H new ATOM 359 N GLY A 29 3.055 17.183 9.721 1.00 0.00 N ATOM 360 CA GLY A 29 1.969 17.219 10.679 1.00 0.00 C ATOM 361 C GLY A 29 0.685 16.707 10.042 1.00 0.00 C ATOM 362 O GLY A 29 -0.386 16.801 10.636 1.00 0.00 O ATOM 0 H GLY A 29 3.728 16.432 9.875 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.220 16.609 11.547 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.824 18.238 11.037 1.00 0.00 H new ATOM 366 N THR A 30 0.795 16.164 8.827 1.00 0.00 N ATOM 367 CA THR A 30 -0.356 15.641 8.120 1.00 0.00 C ATOM 368 C THR A 30 -0.495 14.149 8.386 1.00 0.00 C ATOM 369 O THR A 30 0.500 13.455 8.579 1.00 0.00 O ATOM 370 CB THR A 30 -0.200 15.912 6.626 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.100 16.924 6.235 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.499 14.636 5.844 1.00 0.00 C ATOM 0 H THR A 30 1.675 16.079 8.319 1.00 0.00 H new ATOM 0 HA THR A 30 -1.260 16.137 8.474 1.00 0.00 H new ATOM 0 HB THR A 30 0.821 16.234 6.420 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.360 16.787 5.300 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.388 14.829 4.777 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.197 13.853 6.146 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.520 14.314 6.050 1.00 0.00 H new ATOM 380 N ALA A 31 -1.737 13.657 8.396 1.00 0.00 N ATOM 381 CA ALA A 31 -2.001 12.254 8.638 1.00 0.00 C ATOM 382 C ALA A 31 -1.992 11.492 7.320 1.00 0.00 C ATOM 383 O ALA A 31 -2.316 12.052 6.276 1.00 0.00 O ATOM 384 CB ALA A 31 -3.347 12.104 9.341 1.00 0.00 C ATOM 0 H ALA A 31 -2.572 14.220 8.238 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.223 11.839 9.279 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.546 11.048 9.524 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.323 12.638 10.291 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.134 12.518 8.712 1.00 0.00 H new ATOM 390 N TYR A 32 -1.619 10.211 7.371 1.00 0.00 N ATOM 391 CA TYR A 32 -1.569 9.384 6.182 1.00 0.00 C ATOM 392 C TYR A 32 -2.130 8.003 6.491 1.00 0.00 C ATOM 393 O TYR A 32 -2.058 7.541 7.628 1.00 0.00 O ATOM 394 CB TYR A 32 -0.127 9.285 5.693 1.00 0.00 C ATOM 395 CG TYR A 32 0.350 10.522 4.970 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.293 10.939 3.798 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.434 11.252 5.471 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.149 12.086 3.128 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.876 12.399 4.800 1.00 0.00 C ATOM 400 CZ TYR A 32 1.233 12.816 3.629 1.00 0.00 C ATOM 401 OH TYR A 32 1.663 13.933 2.975 1.00 0.00 O ATOM 0 H TYR A 32 -1.348 9.731 8.229 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.175 9.833 5.395 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.525 9.098 6.546 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.036 8.427 5.027 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.130 10.376 3.411 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.930 10.931 6.375 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.347 12.408 2.224 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.713 12.962 5.186 1.00 0.00 H new ATOM 0 HH TYR A 32 0.981 14.218 2.332 1.00 0.00 H new ATOM 411 N ASP A 33 -2.689 7.343 5.474 1.00 0.00 N ATOM 412 CA ASP A 33 -3.259 6.021 5.642 1.00 0.00 C ATOM 413 C ASP A 33 -2.545 5.034 4.730 1.00 0.00 C ATOM 414 O ASP A 33 -2.590 5.170 3.509 1.00 0.00 O ATOM 415 CB ASP A 33 -4.751 6.068 5.327 1.00 0.00 C ATOM 416 CG ASP A 33 -5.543 6.584 6.520 1.00 0.00 C ATOM 417 OD1 ASP A 33 -4.887 7.043 7.480 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.789 6.511 6.449 1.00 0.00 O ATOM 0 H ASP A 33 -2.755 7.711 4.525 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.130 5.692 6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.924 6.712 4.465 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.101 5.072 5.057 1.00 0.00 H new ATOM 423 N VAL A 34 -1.886 4.037 5.325 1.00 0.00 N ATOM 424 CA VAL A 34 -1.167 3.034 4.565 1.00 0.00 C ATOM 425 C VAL A 34 -2.021 1.782 4.429 1.00 0.00 C ATOM 426 O VAL A 34 -2.714 1.396 5.367 1.00 0.00 O ATOM 427 CB VAL A 34 0.152 2.716 5.264 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.215 2.388 4.220 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.598 3.924 6.083 1.00 0.00 C ATOM 0 H VAL A 34 -1.841 3.910 6.336 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.951 3.413 3.566 1.00 0.00 H new ATOM 0 HB VAL A 34 0.016 1.860 5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.157 2.161 4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.897 1.525 3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.352 3.244 3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.540 3.697 6.582 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.734 4.781 5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.161 4.158 6.829 1.00 0.00 H new ATOM 439 N GLY A 35 -1.971 1.146 3.256 1.00 0.00 N ATOM 440 CA GLY A 35 -2.741 -0.057 3.009 1.00 0.00 C ATOM 441 C GLY A 35 -2.179 -0.804 1.807 1.00 0.00 C ATOM 442 O GLY A 35 -1.541 -0.207 0.944 1.00 0.00 O ATOM 0 H GLY A 35 -1.402 1.451 2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.717 -0.700 3.889 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.785 0.201 2.830 1.00 0.00 H new ATOM 446 N GLN A 36 -2.419 -2.117 1.754 1.00 0.00 N ATOM 447 CA GLN A 36 -1.937 -2.938 0.662 1.00 0.00 C ATOM 448 C GLN A 36 -3.091 -3.301 -0.261 1.00 0.00 C ATOM 449 O GLN A 36 -4.019 -3.997 0.146 1.00 0.00 O ATOM 450 CB GLN A 36 -1.279 -4.194 1.225 1.00 0.00 C ATOM 451 CG GLN A 36 -0.760 -5.056 0.078 1.00 0.00 C ATOM 452 CD GLN A 36 -0.299 -6.415 0.585 1.00 0.00 C ATOM 453 OE1 GLN A 36 0.409 -6.498 1.586 1.00 0.00 O ATOM 454 NE2 GLN A 36 -0.701 -7.481 -0.111 1.00 0.00 N ATOM 0 H GLN A 36 -2.947 -2.627 2.462 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.198 -2.383 0.084 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.459 -3.921 1.889 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.997 -4.757 1.821 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.545 -5.188 -0.667 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.067 -4.549 -0.418 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.289 -7.360 -0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.420 -8.417 0.182 1.00 0.00 H new ATOM 463 N CYS A 37 -3.033 -2.827 -1.507 1.00 0.00 N ATOM 464 CA CYS A 37 -4.070 -3.103 -2.481 1.00 0.00 C ATOM 465 C CYS A 37 -3.594 -4.175 -3.450 1.00 0.00 C ATOM 466 O CYS A 37 -2.408 -4.493 -3.493 1.00 0.00 O ATOM 467 CB CYS A 37 -4.423 -1.818 -3.225 1.00 0.00 C ATOM 468 SG CYS A 37 -5.836 -0.929 -2.527 1.00 0.00 S ATOM 0 H CYS A 37 -2.271 -2.248 -1.859 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.963 -3.470 -1.975 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.555 -1.159 -3.223 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.637 -2.060 -4.266 1.00 0.00 H new ATOM 473 N ALA A 38 -4.523 -4.733 -4.230 1.00 0.00 N ATOM 474 CA ALA A 38 -4.195 -5.765 -5.192 1.00 0.00 C ATOM 475 C ALA A 38 -5.202 -5.745 -6.333 1.00 0.00 C ATOM 476 O ALA A 38 -6.406 -5.670 -6.100 1.00 0.00 O ATOM 477 CB ALA A 38 -4.191 -7.124 -4.498 1.00 0.00 C ATOM 0 H ALA A 38 -5.511 -4.480 -4.207 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.204 -5.580 -5.605 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.944 -7.901 -5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.449 -7.123 -3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.177 -7.320 -4.077 1.00 0.00 H new ATOM 483 N TRP A 39 -4.707 -5.813 -7.571 1.00 0.00 N ATOM 484 CA TRP A 39 -5.568 -5.804 -8.737 1.00 0.00 C ATOM 485 C TRP A 39 -6.429 -7.059 -8.755 1.00 0.00 C ATOM 486 O TRP A 39 -5.908 -8.172 -8.747 1.00 0.00 O ATOM 487 CB TRP A 39 -4.714 -5.715 -9.998 1.00 0.00 C ATOM 488 CG TRP A 39 -5.266 -6.438 -11.185 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.579 -6.582 -11.469 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.549 -7.122 -12.257 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.722 -7.303 -12.636 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.499 -7.663 -13.164 1.00 0.00 C ATOM 493 CE3 TRP A 39 -3.192 -7.342 -12.555 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -5.126 -8.381 -14.304 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.807 -8.061 -13.696 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.769 -8.581 -14.570 1.00 0.00 C ATOM 0 H TRP A 39 -3.711 -5.875 -7.783 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.228 -4.937 -8.699 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.585 -4.664 -10.258 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.723 -6.113 -9.777 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.392 -6.192 -10.874 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.620 -7.541 -13.057 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.433 -6.950 -11.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.878 -8.776 -14.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.758 -8.215 -13.902 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -3.464 -9.134 -15.446 1.00 0.00 H new ATOM 507 N VAL A 40 -7.751 -6.876 -8.781 1.00 0.00 N ATOM 508 CA VAL A 40 -8.677 -7.990 -8.800 1.00 0.00 C ATOM 509 C VAL A 40 -9.224 -8.180 -10.208 1.00 0.00 C ATOM 510 O VAL A 40 -9.333 -9.307 -10.687 1.00 0.00 O ATOM 511 CB VAL A 40 -9.809 -7.728 -7.811 1.00 0.00 C ATOM 512 CG1 VAL A 40 -9.336 -8.056 -6.398 1.00 0.00 C ATOM 513 CG2 VAL A 40 -10.216 -6.259 -7.883 1.00 0.00 C ATOM 0 H VAL A 40 -8.197 -5.959 -8.789 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.160 -8.903 -8.505 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.664 -8.355 -8.062 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.144 -7.869 -5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.044 -9.105 -6.346 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.481 -7.429 -6.146 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.025 -6.070 -7.177 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.361 -5.632 -7.631 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.554 -6.024 -8.892 1.00 0.00 H new ATOM 523 N ASP A 41 -9.569 -7.074 -10.871 1.00 0.00 N ATOM 524 CA ASP A 41 -10.102 -7.125 -12.217 1.00 0.00 C ATOM 525 C ASP A 41 -9.493 -6.010 -13.055 1.00 0.00 C ATOM 526 O ASP A 41 -8.882 -5.089 -12.516 1.00 0.00 O ATOM 527 CB ASP A 41 -11.622 -6.995 -12.166 1.00 0.00 C ATOM 528 CG ASP A 41 -12.293 -8.273 -12.646 1.00 0.00 C ATOM 529 OD1 ASP A 41 -12.364 -8.448 -13.882 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.723 -9.053 -11.768 1.00 0.00 O ATOM 0 H ASP A 41 -9.485 -6.132 -10.488 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.847 -8.079 -12.678 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.938 -6.775 -11.146 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.940 -6.157 -12.787 1.00 0.00 H new ATOM 535 N THR A 42 -9.660 -6.093 -14.377 1.00 0.00 N ATOM 536 CA THR A 42 -9.125 -5.090 -15.276 1.00 0.00 C ATOM 537 C THR A 42 -9.538 -3.702 -14.808 1.00 0.00 C ATOM 538 O THR A 42 -10.714 -3.349 -14.864 1.00 0.00 O ATOM 539 CB THR A 42 -9.630 -5.356 -16.691 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.908 -6.429 -17.254 1.00 0.00 O ATOM 541 CG2 THR A 42 -9.434 -4.107 -17.545 1.00 0.00 C ATOM 0 H THR A 42 -10.164 -6.849 -14.841 1.00 0.00 H new ATOM 0 HA THR A 42 -8.036 -5.141 -15.276 1.00 0.00 H new ATOM 0 HB THR A 42 -10.690 -5.609 -16.657 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.233 -6.601 -18.162 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.795 -4.297 -18.556 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.992 -3.278 -17.110 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.375 -3.853 -17.580 1.00 0.00 H new ATOM 549 N GLY A 43 -8.565 -2.912 -14.347 1.00 0.00 N ATOM 550 CA GLY A 43 -8.835 -1.569 -13.874 1.00 0.00 C ATOM 551 C GLY A 43 -9.600 -1.617 -12.559 1.00 0.00 C ATOM 552 O GLY A 43 -10.068 -0.590 -12.072 1.00 0.00 O ATOM 0 H GLY A 43 -7.584 -3.188 -14.295 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.898 -1.029 -13.738 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.413 -1.023 -14.619 1.00 0.00 H new ATOM 556 N VAL A 44 -9.725 -2.815 -11.984 1.00 0.00 N ATOM 557 CA VAL A 44 -10.431 -2.992 -10.730 1.00 0.00 C ATOM 558 C VAL A 44 -9.489 -3.576 -9.688 1.00 0.00 C ATOM 559 O VAL A 44 -8.965 -4.673 -9.868 1.00 0.00 O ATOM 560 CB VAL A 44 -11.632 -3.907 -10.949 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.261 -4.252 -9.602 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.661 -3.196 -11.823 1.00 0.00 C ATOM 0 H VAL A 44 -9.342 -3.676 -12.375 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.788 -2.028 -10.368 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.306 -4.822 -11.443 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.119 -4.906 -9.758 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.527 -4.760 -8.977 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.587 -3.337 -9.108 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.519 -3.850 -11.980 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.987 -2.281 -11.329 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.213 -2.949 -12.785 1.00 0.00 H new ATOM 572 N LEU A 45 -9.276 -2.841 -8.594 1.00 0.00 N ATOM 573 CA LEU A 45 -8.400 -3.289 -7.529 1.00 0.00 C ATOM 574 C LEU A 45 -9.154 -3.292 -6.207 1.00 0.00 C ATOM 575 O LEU A 45 -10.204 -2.664 -6.088 1.00 0.00 O ATOM 576 CB LEU A 45 -7.182 -2.374 -7.455 1.00 0.00 C ATOM 577 CG LEU A 45 -7.555 -1.089 -6.722 1.00 0.00 C ATOM 578 CD1 LEU A 45 -7.291 -1.259 -5.228 1.00 0.00 C ATOM 579 CD2 LEU A 45 -6.714 0.066 -7.259 1.00 0.00 C ATOM 0 H LEU A 45 -9.704 -1.930 -8.430 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.063 -4.305 -7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.366 -2.878 -6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.826 -2.142 -8.459 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.612 -0.874 -6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.558 -0.341 -4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.892 -2.083 -4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.235 -1.475 -5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.980 0.984 -6.735 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.657 -0.149 -7.100 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.903 0.189 -8.325 1.00 0.00 H new ATOM 591 N ALA A 46 -8.615 -4.001 -5.213 1.00 0.00 N ATOM 592 CA ALA A 46 -9.238 -4.083 -3.907 1.00 0.00 C ATOM 593 C ALA A 46 -8.199 -3.834 -2.824 1.00 0.00 C ATOM 594 O ALA A 46 -7.009 -4.050 -3.042 1.00 0.00 O ATOM 595 CB ALA A 46 -9.881 -5.456 -3.736 1.00 0.00 C ATOM 0 H ALA A 46 -7.744 -4.526 -5.297 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.013 -3.321 -3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.350 -5.518 -2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.636 -5.603 -4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.117 -6.229 -3.823 1.00 0.00 H new ATOM 601 N CYS A 47 -8.651 -3.379 -1.653 1.00 0.00 N ATOM 602 CA CYS A 47 -7.761 -3.103 -0.543 1.00 0.00 C ATOM 603 C CYS A 47 -8.037 -4.080 0.592 1.00 0.00 C ATOM 604 O CYS A 47 -9.138 -4.614 0.700 1.00 0.00 O ATOM 605 CB CYS A 47 -7.959 -1.664 -0.079 1.00 0.00 C ATOM 606 SG CYS A 47 -6.713 -0.510 -0.705 1.00 0.00 S ATOM 0 H CYS A 47 -9.635 -3.196 -1.457 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.726 -3.228 -0.860 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.945 -1.324 -0.395 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.947 -1.640 1.011 1.00 0.00 H new ATOM 611 N ASN A 48 -7.031 -4.312 1.439 1.00 0.00 N ATOM 612 CA ASN A 48 -7.172 -5.221 2.559 1.00 0.00 C ATOM 613 C ASN A 48 -7.025 -4.458 3.868 1.00 0.00 C ATOM 614 O ASN A 48 -5.944 -3.968 4.186 1.00 0.00 O ATOM 615 CB ASN A 48 -6.121 -6.322 2.454 1.00 0.00 C ATOM 616 CG ASN A 48 -6.060 -7.139 3.736 1.00 0.00 C ATOM 617 OD1 ASN A 48 -7.006 -7.138 4.520 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.943 -7.840 3.947 1.00 0.00 N ATOM 0 H ASN A 48 -6.111 -3.878 1.363 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.162 -5.677 2.538 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.355 -6.975 1.613 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.145 -5.880 2.253 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.848 -8.407 4.789 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.185 -7.808 3.266 1.00 0.00 H new ATOM 625 N PRO A 49 -8.118 -4.359 4.628 1.00 0.00 N ATOM 626 CA PRO A 49 -8.166 -3.676 5.902 1.00 0.00 C ATOM 627 C PRO A 49 -7.426 -4.495 6.950 1.00 0.00 C ATOM 628 O PRO A 49 -7.347 -4.097 8.110 1.00 0.00 O ATOM 629 CB PRO A 49 -9.653 -3.575 6.237 1.00 0.00 C ATOM 630 CG PRO A 49 -10.236 -4.815 5.561 1.00 0.00 C ATOM 631 CD PRO A 49 -9.405 -4.923 4.285 1.00 0.00 C ATOM 0 HA PRO A 49 -7.694 -2.694 5.874 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.827 -3.581 7.313 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.094 -2.657 5.848 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.135 -5.702 6.186 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.298 -4.697 5.344 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.308 -5.960 3.963 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.869 -4.377 3.464 1.00 0.00 H new ATOM 639 N ALA A 50 -6.884 -5.643 6.538 1.00 0.00 N ATOM 640 CA ALA A 50 -6.156 -6.512 7.441 1.00 0.00 C ATOM 641 C ALA A 50 -4.682 -6.134 7.444 1.00 0.00 C ATOM 642 O ALA A 50 -3.941 -6.526 8.343 1.00 0.00 O ATOM 643 CB ALA A 50 -6.342 -7.964 7.008 1.00 0.00 C ATOM 0 H ALA A 50 -6.941 -5.986 5.579 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.542 -6.397 8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.795 -8.619 7.686 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.402 -8.218 7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.962 -8.093 5.994 1.00 0.00 H new ATOM 649 N ASP A 51 -4.257 -5.371 6.434 1.00 0.00 N ATOM 650 CA ASP A 51 -2.876 -4.947 6.326 1.00 0.00 C ATOM 651 C ASP A 51 -2.813 -3.435 6.164 1.00 0.00 C ATOM 652 O ASP A 51 -1.880 -2.912 5.559 1.00 0.00 O ATOM 653 CB ASP A 51 -2.222 -5.646 5.138 1.00 0.00 C ATOM 654 CG ASP A 51 -3.061 -5.479 3.879 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.712 -4.418 3.768 1.00 0.00 O ATOM 656 OD2 ASP A 51 -3.035 -6.416 3.052 1.00 0.00 O ATOM 0 H ASP A 51 -4.859 -5.038 5.681 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.335 -5.218 7.233 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.226 -5.235 4.973 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.097 -6.706 5.359 1.00 0.00 H new ATOM 661 N PHE A 52 -3.811 -2.732 6.706 1.00 0.00 N ATOM 662 CA PHE A 52 -3.861 -1.286 6.617 1.00 0.00 C ATOM 663 C PHE A 52 -3.417 -0.672 7.936 1.00 0.00 C ATOM 664 O PHE A 52 -4.042 -0.897 8.970 1.00 0.00 O ATOM 665 CB PHE A 52 -5.280 -0.849 6.266 1.00 0.00 C ATOM 666 CG PHE A 52 -6.011 -0.196 7.416 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.523 0.992 7.971 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.175 -0.782 7.928 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.199 1.596 9.038 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.851 -0.178 8.995 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.363 1.011 9.550 1.00 0.00 C ATOM 0 H PHE A 52 -4.593 -3.150 7.210 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.185 -0.942 5.835 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.241 -0.153 5.428 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.847 -1.718 5.932 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.625 1.443 7.576 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.551 -1.699 7.500 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.822 2.513 9.466 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.749 -0.629 9.390 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.885 1.477 10.373 1.00 0.00 H new ATOM 681 N SER A 53 -2.333 0.107 7.899 1.00 0.00 N ATOM 682 CA SER A 53 -1.814 0.749 9.090 1.00 0.00 C ATOM 683 C SER A 53 -2.105 2.243 9.041 1.00 0.00 C ATOM 684 O SER A 53 -2.744 2.722 8.106 1.00 0.00 O ATOM 685 CB SER A 53 -0.312 0.495 9.190 1.00 0.00 C ATOM 686 OG SER A 53 0.196 1.133 10.340 1.00 0.00 O ATOM 0 H SER A 53 -1.803 0.303 7.050 1.00 0.00 H new ATOM 0 HA SER A 53 -2.300 0.333 9.972 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.116 -0.576 9.238 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.192 0.871 8.300 1.00 0.00 H new ATOM 0 HG SER A 53 1.160 0.969 10.406 1.00 0.00 H new ATOM 692 N SER A 54 -1.634 2.978 10.050 1.00 0.00 N ATOM 693 CA SER A 54 -1.845 4.410 10.115 1.00 0.00 C ATOM 694 C SER A 54 -0.657 5.077 10.794 1.00 0.00 C ATOM 695 O SER A 54 0.044 4.447 11.584 1.00 0.00 O ATOM 696 CB SER A 54 -3.135 4.699 10.877 1.00 0.00 C ATOM 697 OG SER A 54 -2.860 4.764 12.258 1.00 0.00 O ATOM 0 H SER A 54 -1.103 2.595 10.832 1.00 0.00 H new ATOM 0 HA SER A 54 -1.935 4.814 9.107 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.568 5.640 10.537 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.870 3.919 10.678 1.00 0.00 H new ATOM 0 HG SER A 54 -3.688 4.951 12.748 1.00 0.00 H new ATOM 703 N VAL A 55 -0.431 6.356 10.484 1.00 0.00 N ATOM 704 CA VAL A 55 0.668 7.101 11.064 1.00 0.00 C ATOM 705 C VAL A 55 0.491 8.585 10.777 1.00 0.00 C ATOM 706 O VAL A 55 -0.264 8.961 9.883 1.00 0.00 O ATOM 707 CB VAL A 55 1.986 6.592 10.488 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.945 6.681 8.966 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.135 7.446 11.017 1.00 0.00 C ATOM 0 H VAL A 55 -1.002 6.891 9.830 1.00 0.00 H new ATOM 0 HA VAL A 55 0.680 6.959 12.145 1.00 0.00 H new ATOM 0 HB VAL A 55 2.136 5.555 10.787 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.887 6.317 8.555 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.124 6.071 8.588 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.795 7.718 8.666 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.077 7.083 10.606 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.985 8.484 10.719 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.165 7.382 12.105 1.00 0.00 H new ATOM 719 N THR A 56 1.190 9.431 11.537 1.00 0.00 N ATOM 720 CA THR A 56 1.105 10.866 11.357 1.00 0.00 C ATOM 721 C THR A 56 2.499 11.449 11.172 1.00 0.00 C ATOM 722 O THR A 56 3.402 11.167 11.956 1.00 0.00 O ATOM 723 CB THR A 56 0.414 11.489 12.566 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.782 10.793 12.835 1.00 0.00 O ATOM 725 CG2 THR A 56 0.097 12.953 12.273 1.00 0.00 C ATOM 0 H THR A 56 1.821 9.137 12.283 1.00 0.00 H new ATOM 0 HA THR A 56 0.520 11.089 10.465 1.00 0.00 H new ATOM 0 HB THR A 56 1.072 11.427 13.432 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.225 11.192 13.613 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.397 13.398 13.137 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.022 13.491 12.066 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.561 13.016 11.406 1.00 0.00 H new ATOM 733 N ALA A 57 2.671 12.265 10.130 1.00 0.00 N ATOM 734 CA ALA A 57 3.951 12.883 9.846 1.00 0.00 C ATOM 735 C ALA A 57 4.302 13.871 10.949 1.00 0.00 C ATOM 736 O ALA A 57 3.420 14.520 11.507 1.00 0.00 O ATOM 737 CB ALA A 57 3.887 13.583 8.492 1.00 0.00 C ATOM 0 H ALA A 57 1.931 12.509 9.471 1.00 0.00 H new ATOM 0 HA ALA A 57 4.728 12.120 9.809 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.849 14.048 8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.655 12.854 7.716 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.111 14.348 8.514 1.00 0.00 H new ATOM 743 N ASP A 58 5.595 13.984 11.262 1.00 0.00 N ATOM 744 CA ASP A 58 6.054 14.890 12.296 1.00 0.00 C ATOM 745 C ASP A 58 6.213 16.290 11.720 1.00 0.00 C ATOM 746 O ASP A 58 5.830 16.541 10.579 1.00 0.00 O ATOM 747 CB ASP A 58 7.377 14.384 12.863 1.00 0.00 C ATOM 748 CG ASP A 58 8.453 14.352 11.786 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.209 14.960 10.722 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.499 13.720 12.048 1.00 0.00 O ATOM 0 H ASP A 58 6.338 13.454 10.807 1.00 0.00 H new ATOM 0 HA ASP A 58 5.321 14.931 13.102 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.696 15.028 13.682 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.241 13.385 13.277 1.00 0.00 H new ATOM 755 N ALA A 59 6.781 17.203 12.512 1.00 0.00 N ATOM 756 CA ALA A 59 6.986 18.570 12.078 1.00 0.00 C ATOM 757 C ALA A 59 7.960 18.599 10.908 1.00 0.00 C ATOM 758 O ALA A 59 7.908 19.503 10.078 1.00 0.00 O ATOM 759 CB ALA A 59 7.517 19.398 13.244 1.00 0.00 C ATOM 0 H ALA A 59 7.105 17.010 13.460 1.00 0.00 H new ATOM 0 HA ALA A 59 6.039 18.997 11.747 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.672 20.427 12.919 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.796 19.380 14.061 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.463 18.979 13.586 1.00 0.00 H new ATOM 765 N ASN A 60 8.850 17.605 10.845 1.00 0.00 N ATOM 766 CA ASN A 60 9.827 17.524 9.779 1.00 0.00 C ATOM 767 C ASN A 60 9.159 17.045 8.497 1.00 0.00 C ATOM 768 O ASN A 60 9.764 17.082 7.428 1.00 0.00 O ATOM 769 CB ASN A 60 10.949 16.574 10.191 1.00 0.00 C ATOM 770 CG ASN A 60 12.188 17.349 10.616 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.115 18.550 10.866 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.327 16.658 10.699 1.00 0.00 N ATOM 0 H ASN A 60 8.906 16.848 11.526 1.00 0.00 H new ATOM 0 HA ASN A 60 10.251 18.511 9.595 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.612 15.941 11.012 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.196 15.914 9.360 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.188 17.126 10.980 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.336 15.662 10.481 1.00 0.00 H new ATOM 779 N GLY A 61 7.907 16.595 8.607 1.00 0.00 N ATOM 780 CA GLY A 61 7.169 16.114 7.457 1.00 0.00 C ATOM 781 C GLY A 61 7.624 14.709 7.087 1.00 0.00 C ATOM 782 O GLY A 61 7.611 14.337 5.916 1.00 0.00 O ATOM 0 H GLY A 61 7.390 16.557 9.486 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.101 16.112 7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.319 16.787 6.613 1.00 0.00 H new ATOM 786 N SER A 62 8.029 13.928 8.092 1.00 0.00 N ATOM 787 CA SER A 62 8.485 12.571 7.868 1.00 0.00 C ATOM 788 C SER A 62 7.724 11.614 8.774 1.00 0.00 C ATOM 789 O SER A 62 7.527 11.897 9.953 1.00 0.00 O ATOM 790 CB SER A 62 9.986 12.490 8.134 1.00 0.00 C ATOM 791 OG SER A 62 10.253 12.921 9.449 1.00 0.00 O ATOM 0 H SER A 62 8.047 14.222 9.069 1.00 0.00 H new ATOM 0 HA SER A 62 8.296 12.286 6.833 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.336 11.467 7.997 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.527 13.110 7.419 1.00 0.00 H new ATOM 0 HG SER A 62 11.216 12.868 9.621 1.00 0.00 H new ATOM 797 N ALA A 63 7.296 10.478 8.218 1.00 0.00 N ATOM 798 CA ALA A 63 6.560 9.487 8.976 1.00 0.00 C ATOM 799 C ALA A 63 7.269 8.143 8.892 1.00 0.00 C ATOM 800 O ALA A 63 8.202 7.979 8.109 1.00 0.00 O ATOM 801 CB ALA A 63 5.138 9.383 8.431 1.00 0.00 C ATOM 0 H ALA A 63 7.452 10.229 7.241 1.00 0.00 H new ATOM 0 HA ALA A 63 6.513 9.786 10.023 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.584 8.637 9.001 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.643 10.350 8.520 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.171 9.087 7.382 1.00 0.00 H new ATOM 807 N SER A 64 6.824 7.179 9.702 1.00 0.00 N ATOM 808 CA SER A 64 7.417 5.857 9.713 1.00 0.00 C ATOM 809 C SER A 64 6.369 4.824 10.104 1.00 0.00 C ATOM 810 O SER A 64 5.751 4.933 11.160 1.00 0.00 O ATOM 811 CB SER A 64 8.589 5.835 10.690 1.00 0.00 C ATOM 812 OG SER A 64 9.298 7.050 10.600 1.00 0.00 O ATOM 0 H SER A 64 6.052 7.299 10.358 1.00 0.00 H new ATOM 0 HA SER A 64 7.786 5.611 8.717 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.226 5.688 11.707 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.250 4.998 10.463 1.00 0.00 H new ATOM 0 HG SER A 64 10.050 7.037 11.228 1.00 0.00 H new ATOM 818 N THR A 65 6.171 3.818 9.249 1.00 0.00 N ATOM 819 CA THR A 65 5.202 2.774 9.513 1.00 0.00 C ATOM 820 C THR A 65 5.631 1.484 8.829 1.00 0.00 C ATOM 821 O THR A 65 6.436 1.507 7.901 1.00 0.00 O ATOM 822 CB THR A 65 3.829 3.218 9.016 1.00 0.00 C ATOM 823 OG1 THR A 65 2.961 3.379 10.116 1.00 0.00 O ATOM 824 CG2 THR A 65 3.263 2.162 8.072 1.00 0.00 C ATOM 0 H THR A 65 6.675 3.712 8.368 1.00 0.00 H new ATOM 0 HA THR A 65 5.145 2.590 10.586 1.00 0.00 H new ATOM 0 HB THR A 65 3.924 4.165 8.485 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.045 3.509 9.793 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.282 2.479 7.717 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.934 2.037 7.222 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.168 1.214 8.602 1.00 0.00 H new ATOM 832 N SER A 66 5.090 0.354 9.292 1.00 0.00 N ATOM 833 CA SER A 66 5.417 -0.938 8.723 1.00 0.00 C ATOM 834 C SER A 66 4.185 -1.537 8.059 1.00 0.00 C ATOM 835 O SER A 66 3.118 -1.598 8.665 1.00 0.00 O ATOM 836 CB SER A 66 5.940 -1.858 9.822 1.00 0.00 C ATOM 837 OG SER A 66 6.125 -1.117 11.007 1.00 0.00 O ATOM 0 H SER A 66 4.422 0.317 10.062 1.00 0.00 H new ATOM 0 HA SER A 66 6.192 -0.821 7.965 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.236 -2.672 9.996 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.882 -2.312 9.513 1.00 0.00 H new ATOM 0 HG SER A 66 6.459 -1.708 11.714 1.00 0.00 H new ATOM 843 N LEU A 67 4.336 -1.980 6.808 1.00 0.00 N ATOM 844 CA LEU A 67 3.239 -2.573 6.069 1.00 0.00 C ATOM 845 C LEU A 67 3.448 -4.075 5.950 1.00 0.00 C ATOM 846 O LEU A 67 4.427 -4.523 5.357 1.00 0.00 O ATOM 847 CB LEU A 67 3.150 -1.928 4.689 1.00 0.00 C ATOM 848 CG LEU A 67 1.708 -1.985 4.193 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.292 -3.440 4.003 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.792 -1.322 5.218 1.00 0.00 C ATOM 0 H LEU A 67 5.214 -1.935 6.292 1.00 0.00 H new ATOM 0 HA LEU A 67 2.302 -2.399 6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.489 -0.893 4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.807 -2.446 3.990 1.00 0.00 H new ATOM 0 HG LEU A 67 1.629 -1.459 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.262 -3.481 3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.946 -3.913 3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.370 -3.968 4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.238 -1.362 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.870 -1.848 6.170 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.089 -0.282 5.353 1.00 0.00 H new ATOM 862 N THR A 68 2.524 -4.856 6.515 1.00 0.00 N ATOM 863 CA THR A 68 2.615 -6.301 6.467 1.00 0.00 C ATOM 864 C THR A 68 2.424 -6.785 5.036 1.00 0.00 C ATOM 865 O THR A 68 1.385 -6.537 4.428 1.00 0.00 O ATOM 866 CB THR A 68 1.560 -6.907 7.388 1.00 0.00 C ATOM 867 OG1 THR A 68 1.261 -8.217 6.961 1.00 0.00 O ATOM 868 CG2 THR A 68 0.294 -6.056 7.342 1.00 0.00 C ATOM 0 H THR A 68 1.706 -4.502 7.010 1.00 0.00 H new ATOM 0 HA THR A 68 3.601 -6.618 6.807 1.00 0.00 H new ATOM 0 HB THR A 68 1.942 -6.935 8.409 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.850 -8.715 7.698 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.460 -6.489 8.000 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.524 -5.043 7.671 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.088 -6.028 6.322 1.00 0.00 H new ATOM 876 N VAL A 69 3.431 -7.478 4.500 1.00 0.00 N ATOM 877 CA VAL A 69 3.370 -7.993 3.147 1.00 0.00 C ATOM 878 C VAL A 69 2.481 -9.228 3.106 1.00 0.00 C ATOM 879 O VAL A 69 2.719 -10.190 3.832 1.00 0.00 O ATOM 880 CB VAL A 69 4.780 -8.325 2.667 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.873 -9.815 2.353 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.091 -7.520 1.408 1.00 0.00 C ATOM 0 H VAL A 69 4.299 -7.692 4.992 1.00 0.00 H new ATOM 0 HA VAL A 69 2.943 -7.240 2.485 1.00 0.00 H new ATOM 0 HB VAL A 69 5.498 -8.073 3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.880 -10.052 2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.650 -10.391 3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.155 -10.068 1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.098 -7.757 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.373 -7.773 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.025 -6.455 1.631 1.00 0.00 H new ATOM 892 N ARG A 70 1.455 -9.198 2.253 1.00 0.00 N ATOM 893 CA ARG A 70 0.537 -10.311 2.122 1.00 0.00 C ATOM 894 C ARG A 70 0.644 -10.906 0.725 1.00 0.00 C ATOM 895 O ARG A 70 1.074 -10.231 -0.208 1.00 0.00 O ATOM 896 CB ARG A 70 -0.885 -9.831 2.397 1.00 0.00 C ATOM 897 CG ARG A 70 -0.922 -9.086 3.729 1.00 0.00 C ATOM 898 CD ARG A 70 -0.973 -10.094 4.874 1.00 0.00 C ATOM 899 NE ARG A 70 -1.141 -9.418 6.161 1.00 0.00 N ATOM 900 CZ ARG A 70 -1.549 -10.054 7.267 1.00 0.00 C ATOM 901 NH1 ARG A 70 -1.821 -11.366 7.224 1.00 0.00 N ATOM 902 NH2 ARG A 70 -1.685 -9.379 8.417 1.00 0.00 N ATOM 0 H ARG A 70 1.246 -8.407 1.644 1.00 0.00 H new ATOM 0 HA ARG A 70 0.792 -11.085 2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.221 -9.177 1.593 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.568 -10.680 2.424 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.041 -8.452 3.828 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.792 -8.431 3.768 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.797 -10.790 4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.056 -10.683 4.886 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.939 -8.420 6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.717 -11.880 6.349 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.132 -11.850 8.066 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.478 -8.381 8.450 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.996 -9.864 9.259 1.00 0.00 H new ATOM 916 N ARG A 71 0.250 -12.173 0.582 1.00 0.00 N ATOM 917 CA ARG A 71 0.303 -12.851 -0.697 1.00 0.00 C ATOM 918 C ARG A 71 -1.104 -13.014 -1.254 1.00 0.00 C ATOM 919 O ARG A 71 -1.275 -13.384 -2.414 1.00 0.00 O ATOM 920 CB ARG A 71 0.976 -14.210 -0.524 1.00 0.00 C ATOM 921 CG ARG A 71 0.123 -15.087 0.388 1.00 0.00 C ATOM 922 CD ARG A 71 0.501 -16.552 0.185 1.00 0.00 C ATOM 923 NE ARG A 71 -0.677 -17.415 0.268 1.00 0.00 N ATOM 924 CZ ARG A 71 -0.595 -18.750 0.340 1.00 0.00 C ATOM 925 NH1 ARG A 71 0.604 -19.349 0.338 1.00 0.00 N ATOM 926 NH2 ARG A 71 -1.711 -19.488 0.413 1.00 0.00 N ATOM 0 H ARG A 71 -0.110 -12.745 1.346 1.00 0.00 H new ATOM 0 HA ARG A 71 0.885 -12.258 -1.403 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.103 -14.691 -1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.971 -14.083 -0.098 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.274 -14.802 1.429 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.934 -14.939 0.167 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.979 -16.676 -0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.229 -16.851 0.939 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.600 -16.982 0.271 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.454 -18.788 0.282 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.666 -20.366 0.393 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.624 -19.033 0.414 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.648 -20.505 0.468 1.00 0.00 H new ATOM 940 N SER A 72 -2.112 -12.736 -0.424 1.00 0.00 N ATOM 941 CA SER A 72 -3.496 -12.852 -0.839 1.00 0.00 C ATOM 942 C SER A 72 -4.412 -12.402 0.290 1.00 0.00 C ATOM 943 O SER A 72 -4.095 -12.589 1.463 1.00 0.00 O ATOM 944 CB SER A 72 -3.789 -14.297 -1.230 1.00 0.00 C ATOM 945 OG SER A 72 -5.009 -14.354 -1.936 1.00 0.00 O ATOM 0 H SER A 72 -1.986 -12.429 0.540 1.00 0.00 H new ATOM 0 HA SER A 72 -3.676 -12.212 -1.703 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.981 -14.689 -1.847 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.842 -14.923 -0.339 1.00 0.00 H new ATOM 0 HG SER A 72 -5.362 -13.447 -2.053 1.00 0.00 H new ATOM 951 N PHE A 73 -5.553 -11.807 -0.066 1.00 0.00 N ATOM 952 CA PHE A 73 -6.508 -11.337 0.917 1.00 0.00 C ATOM 953 C PHE A 73 -7.739 -10.781 0.217 1.00 0.00 C ATOM 954 O PHE A 73 -7.749 -10.634 -1.003 1.00 0.00 O ATOM 955 CB PHE A 73 -5.853 -10.269 1.789 1.00 0.00 C ATOM 956 CG PHE A 73 -5.048 -9.260 1.005 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.638 -8.572 -0.062 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.712 -9.015 1.343 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.892 -7.638 -0.790 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.966 -8.081 0.614 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.556 -7.393 -0.452 1.00 0.00 C ATOM 0 H PHE A 73 -5.831 -11.643 -1.034 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.820 -12.166 1.552 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.627 -9.746 2.352 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.202 -10.754 2.517 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.669 -8.762 -0.323 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.257 -9.546 2.166 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.347 -7.106 -1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.935 -7.892 0.874 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.980 -6.673 -1.014 1.00 0.00 H new ATOM 971 N GLU A 74 -8.781 -10.470 0.993 1.00 0.00 N ATOM 972 CA GLU A 74 -10.008 -9.932 0.442 1.00 0.00 C ATOM 973 C GLU A 74 -9.733 -8.595 -0.231 1.00 0.00 C ATOM 974 O GLU A 74 -9.303 -7.646 0.421 1.00 0.00 O ATOM 975 CB GLU A 74 -11.038 -9.775 1.556 1.00 0.00 C ATOM 976 CG GLU A 74 -10.387 -9.100 2.760 1.00 0.00 C ATOM 977 CD GLU A 74 -10.435 -10.005 3.982 1.00 0.00 C ATOM 978 OE1 GLU A 74 -9.644 -10.972 4.004 1.00 0.00 O ATOM 979 OE2 GLU A 74 -11.262 -9.713 4.873 1.00 0.00 O ATOM 0 H GLU A 74 -8.790 -10.585 2.006 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.404 -10.617 -0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.882 -9.181 1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.432 -10.750 1.842 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.352 -8.852 2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.899 -8.162 2.977 1.00 0.00 H new ATOM 986 N GLY A 75 -9.983 -8.521 -1.541 1.00 0.00 N ATOM 987 CA GLY A 75 -9.760 -7.300 -2.290 1.00 0.00 C ATOM 988 C GLY A 75 -10.910 -6.327 -2.066 1.00 0.00 C ATOM 989 O GLY A 75 -11.924 -6.392 -2.757 1.00 0.00 O ATOM 0 H GLY A 75 -10.340 -9.298 -2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.821 -6.841 -1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.669 -7.528 -3.352 1.00 0.00 H new ATOM 993 N PHE A 76 -10.748 -5.423 -1.098 1.00 0.00 N ATOM 994 CA PHE A 76 -11.772 -4.444 -0.790 1.00 0.00 C ATOM 995 C PHE A 76 -11.637 -3.246 -1.720 1.00 0.00 C ATOM 996 O PHE A 76 -10.787 -2.385 -1.507 1.00 0.00 O ATOM 997 CB PHE A 76 -11.641 -4.014 0.668 1.00 0.00 C ATOM 998 CG PHE A 76 -12.793 -4.463 1.535 1.00 0.00 C ATOM 999 CD1 PHE A 76 -14.051 -3.867 1.391 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.603 -5.478 2.480 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -15.120 -4.285 2.193 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.672 -5.896 3.282 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.930 -5.300 3.139 1.00 0.00 C ATOM 0 H PHE A 76 -9.912 -5.355 -0.517 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.758 -4.884 -0.938 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.713 -4.415 1.075 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.565 -2.928 0.713 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.197 -3.085 0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.632 -5.939 2.590 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -16.091 -3.825 2.082 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.526 -6.679 4.011 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.754 -5.623 3.758 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.479 -3.194 -2.755 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.451 -2.105 -3.710 1.00 0.00 C ATOM 1015 C LEU A 77 -12.577 -0.775 -2.981 1.00 0.00 C ATOM 1016 O LEU A 77 -13.273 -0.681 -1.972 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.585 -2.280 -4.715 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.077 -0.910 -5.172 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.979 -0.217 -5.974 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.316 -1.079 -6.046 1.00 0.00 C ATOM 0 H LEU A 77 -13.189 -3.901 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.503 -2.113 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.240 -2.858 -5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.403 -2.839 -4.262 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.328 -0.305 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.330 0.762 -6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.094 -0.095 -5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.728 -0.822 -6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.667 -0.100 -6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.067 -1.684 -6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.101 -1.574 -5.473 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.903 0.257 -3.495 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.945 1.573 -2.891 1.00 0.00 C ATOM 1034 C PHE A 78 -13.386 1.952 -2.578 1.00 0.00 C ATOM 1035 O PHE A 78 -13.673 2.472 -1.502 1.00 0.00 O ATOM 1036 CB PHE A 78 -11.313 2.587 -3.840 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.826 2.755 -3.639 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -9.341 3.389 -2.489 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -8.931 2.273 -4.602 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.962 3.542 -2.302 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -7.552 2.426 -4.415 1.00 0.00 C ATOM 1042 CZ PHE A 78 -7.068 3.061 -3.266 1.00 0.00 C ATOM 0 H PHE A 78 -11.322 0.197 -4.331 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.382 1.567 -1.958 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.500 2.276 -4.868 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.801 3.552 -3.705 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -10.031 3.760 -1.746 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.305 1.783 -5.489 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.588 4.031 -1.415 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.862 2.054 -5.158 1.00 0.00 H new ATOM 0 HZ PHE A 78 -6.004 3.180 -3.123 1.00 0.00 H new ATOM 1052 N ASP A 79 -14.293 1.689 -3.522 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.696 2.004 -3.342 1.00 0.00 C ATOM 1054 C ASP A 79 -16.233 1.281 -2.115 1.00 0.00 C ATOM 1055 O ASP A 79 -17.293 1.631 -1.602 1.00 0.00 O ATOM 1056 CB ASP A 79 -16.471 1.596 -4.592 1.00 0.00 C ATOM 1057 CG ASP A 79 -17.350 2.738 -5.083 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -18.509 2.801 -4.621 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -16.845 3.527 -5.911 1.00 0.00 O ATOM 0 H ASP A 79 -14.071 1.257 -4.419 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.816 3.076 -3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.774 1.304 -5.378 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -17.088 0.725 -4.374 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.498 0.271 -1.644 1.00 0.00 N ATOM 1065 CA GLY A 80 -15.908 -0.490 -0.481 1.00 0.00 C ATOM 1066 C GLY A 80 -16.700 -1.718 -0.907 1.00 0.00 C ATOM 1067 O GLY A 80 -17.550 -2.201 -0.163 1.00 0.00 O ATOM 0 H GLY A 80 -14.616 -0.032 -2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.031 -0.794 0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.515 0.134 0.175 1.00 0.00 H new ATOM 1071 N THR A 81 -16.418 -2.225 -2.110 1.00 0.00 N ATOM 1072 CA THR A 81 -17.105 -3.392 -2.624 1.00 0.00 C ATOM 1073 C THR A 81 -16.180 -4.599 -2.582 1.00 0.00 C ATOM 1074 O THR A 81 -15.098 -4.576 -3.164 1.00 0.00 O ATOM 1075 CB THR A 81 -17.572 -3.119 -4.051 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.755 -2.352 -4.020 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.842 -4.442 -4.761 1.00 0.00 C ATOM 0 H THR A 81 -15.716 -1.838 -2.740 1.00 0.00 H new ATOM 0 HA THR A 81 -17.976 -3.606 -2.004 1.00 0.00 H new ATOM 0 HB THR A 81 -16.797 -2.571 -4.587 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.054 -2.175 -4.936 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.176 -4.247 -5.780 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.928 -5.035 -4.786 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.616 -4.991 -4.225 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.609 -5.657 -1.889 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.820 -6.866 -1.773 1.00 0.00 C ATOM 1087 C ARG A 82 -15.601 -7.474 -3.151 1.00 0.00 C ATOM 1088 O ARG A 82 -16.408 -8.278 -3.612 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.535 -7.853 -0.855 1.00 0.00 C ATOM 1090 CG ARG A 82 -15.511 -8.566 0.023 1.00 0.00 C ATOM 1091 CD ARG A 82 -16.212 -9.632 0.860 1.00 0.00 C ATOM 1092 NE ARG A 82 -16.247 -9.252 2.273 1.00 0.00 N ATOM 1093 CZ ARG A 82 -16.875 -9.981 3.205 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -17.506 -11.111 2.859 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -16.873 -9.580 4.484 1.00 0.00 N ATOM 0 H ARG A 82 -17.504 -5.691 -1.401 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.847 -6.629 -1.343 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.260 -7.328 -0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -17.091 -8.580 -1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.741 -9.024 -0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.011 -7.848 0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.228 -9.777 0.494 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.694 -10.585 0.749 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.773 -8.396 2.560 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.508 -11.416 1.886 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.984 -11.666 3.569 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -16.393 -8.719 4.748 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.351 -10.135 5.193 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.505 -7.088 -3.809 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.190 -7.600 -5.128 1.00 0.00 C ATOM 1111 C TRP A 83 -13.978 -9.106 -5.062 1.00 0.00 C ATOM 1112 O TRP A 83 -14.669 -9.863 -5.741 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.941 -6.901 -5.658 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.725 -7.031 -7.132 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -11.917 -7.937 -7.725 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -13.308 -6.247 -8.217 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -11.960 -7.769 -9.093 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.803 -6.737 -9.451 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -14.210 -5.170 -8.284 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -13.173 -6.192 -10.684 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -14.588 -4.616 -9.515 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -14.073 -5.122 -10.714 1.00 0.00 C ATOM 0 H TRP A 83 -13.826 -6.422 -3.442 1.00 0.00 H new ATOM 0 HA TRP A 83 -15.019 -7.401 -5.807 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -13.000 -5.842 -5.406 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -12.070 -7.303 -5.141 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -11.328 -8.679 -7.207 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -11.434 -8.337 -9.757 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -14.619 -4.763 -7.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -12.769 -6.592 -11.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -15.284 -3.790 -9.538 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -14.369 -4.688 -11.658 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.018 -9.541 -4.242 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.724 -10.952 -4.095 1.00 0.00 C ATOM 1135 C GLY A 84 -11.297 -11.145 -3.602 1.00 0.00 C ATOM 1136 O GLY A 84 -10.482 -10.228 -3.677 1.00 0.00 O ATOM 0 H GLY A 84 -12.435 -8.928 -3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.423 -11.405 -3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.858 -11.460 -5.050 1.00 0.00 H new ATOM 1140 N THR A 85 -10.996 -12.343 -3.095 1.00 0.00 N ATOM 1141 CA THR A 85 -9.670 -12.646 -2.595 1.00 0.00 C ATOM 1142 C THR A 85 -8.647 -12.499 -3.712 1.00 0.00 C ATOM 1143 O THR A 85 -8.568 -13.345 -4.600 1.00 0.00 O ATOM 1144 CB THR A 85 -9.653 -14.063 -2.029 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.922 -14.373 -1.498 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.604 -14.158 -0.925 1.00 0.00 C ATOM 0 H THR A 85 -11.660 -13.114 -3.024 1.00 0.00 H new ATOM 0 HA THR A 85 -9.410 -11.947 -1.800 1.00 0.00 H new ATOM 0 HB THR A 85 -9.409 -14.768 -2.824 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.912 -15.284 -1.136 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.592 -15.170 -0.521 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.622 -13.919 -1.334 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.847 -13.453 -0.130 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.863 -11.420 -3.665 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.850 -11.167 -4.670 1.00 0.00 C ATOM 1156 C VAL A 86 -5.611 -12.000 -4.374 1.00 0.00 C ATOM 1157 O VAL A 86 -5.312 -12.280 -3.216 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.511 -9.679 -4.686 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -6.174 -9.219 -3.271 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -5.310 -9.442 -5.597 1.00 0.00 C ATOM 0 H VAL A 86 -7.917 -10.710 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.228 -11.450 -5.652 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.367 -9.115 -5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.932 -8.156 -3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.031 -9.389 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.318 -9.782 -2.899 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.067 -8.380 -5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.454 -10.006 -5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.550 -9.771 -6.608 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.890 -12.396 -5.426 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.690 -13.194 -5.273 1.00 0.00 C ATOM 1172 C ASP A 87 -2.469 -12.361 -5.634 1.00 0.00 C ATOM 1173 O ASP A 87 -2.146 -12.208 -6.810 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.785 -14.429 -6.163 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.322 -15.621 -5.383 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.368 -15.511 -4.139 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -4.678 -16.619 -6.046 1.00 0.00 O ATOM 0 H ASP A 87 -5.125 -12.171 -6.393 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.592 -13.517 -4.237 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.437 -14.221 -7.012 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.801 -14.667 -6.567 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.789 -11.822 -4.619 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.609 -11.009 -4.834 1.00 0.00 C ATOM 1184 C CYS A 88 0.374 -11.754 -5.726 1.00 0.00 C ATOM 1185 O CYS A 88 1.161 -11.134 -6.437 1.00 0.00 O ATOM 1186 CB CYS A 88 0.028 -10.673 -3.489 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.759 -9.288 -2.628 1.00 0.00 S ATOM 0 H CYS A 88 -2.044 -11.940 -3.639 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.888 -10.080 -5.331 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.011 -11.555 -2.849 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.081 -10.439 -3.645 1.00 0.00 H new ATOM 1192 N THR A 89 0.326 -13.087 -5.687 1.00 0.00 N ATOM 1193 CA THR A 89 1.212 -13.904 -6.492 1.00 0.00 C ATOM 1194 C THR A 89 0.693 -13.979 -7.921 1.00 0.00 C ATOM 1195 O THR A 89 1.288 -14.644 -8.766 1.00 0.00 O ATOM 1196 CB THR A 89 1.313 -15.298 -5.880 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.115 -16.003 -6.115 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.546 -15.178 -4.377 1.00 0.00 C ATOM 0 H THR A 89 -0.321 -13.617 -5.103 1.00 0.00 H new ATOM 0 HA THR A 89 2.206 -13.456 -6.512 1.00 0.00 H new ATOM 0 HB THR A 89 2.145 -15.835 -6.335 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.181 -16.899 -5.723 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.618 -16.174 -3.939 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.472 -14.633 -4.195 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.714 -14.641 -3.922 1.00 0.00 H new ATOM 1206 N THR A 90 -0.421 -13.294 -8.190 1.00 0.00 N ATOM 1207 CA THR A 90 -1.009 -13.288 -9.514 1.00 0.00 C ATOM 1208 C THR A 90 -0.992 -11.876 -10.082 1.00 0.00 C ATOM 1209 O THR A 90 -0.970 -11.694 -11.298 1.00 0.00 O ATOM 1210 CB THR A 90 -2.437 -13.822 -9.437 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.408 -15.230 -9.369 1.00 0.00 O ATOM 1212 CG2 THR A 90 -3.210 -13.388 -10.678 1.00 0.00 C ATOM 0 H THR A 90 -0.928 -12.738 -7.501 1.00 0.00 H new ATOM 0 HA THR A 90 -0.428 -13.930 -10.176 1.00 0.00 H new ATOM 0 HB THR A 90 -2.927 -13.425 -8.548 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.324 -15.574 -9.318 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.230 -13.769 -10.623 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.232 -12.300 -10.731 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.722 -13.785 -11.568 1.00 0.00 H new ATOM 1220 N ALA A 91 -1.003 -10.876 -9.198 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.989 -9.488 -9.614 1.00 0.00 C ATOM 1222 C ALA A 91 0.068 -8.725 -8.829 1.00 0.00 C ATOM 1223 O ALA A 91 0.813 -9.316 -8.051 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.371 -8.879 -9.395 1.00 0.00 C ATOM 0 H ALA A 91 -1.022 -11.011 -8.187 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.742 -9.424 -10.674 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.362 -7.835 -9.707 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.107 -9.427 -9.982 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.632 -8.939 -8.338 1.00 0.00 H new ATOM 1230 N ALA A 92 0.132 -7.407 -9.036 1.00 0.00 N ATOM 1231 CA ALA A 92 1.097 -6.572 -8.350 1.00 0.00 C ATOM 1232 C ALA A 92 0.418 -5.836 -7.203 1.00 0.00 C ATOM 1233 O ALA A 92 -0.584 -5.154 -7.408 1.00 0.00 O ATOM 1234 CB ALA A 92 1.709 -5.585 -9.339 1.00 0.00 C ATOM 0 H ALA A 92 -0.480 -6.902 -9.678 1.00 0.00 H new ATOM 0 HA ALA A 92 1.893 -7.192 -7.937 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.435 -4.956 -8.824 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.207 -6.133 -10.139 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.923 -4.959 -9.762 1.00 0.00 H new ATOM 1240 N CYS A 93 0.966 -5.976 -5.994 1.00 0.00 N ATOM 1241 CA CYS A 93 0.413 -5.326 -4.823 1.00 0.00 C ATOM 1242 C CYS A 93 1.268 -4.123 -4.450 1.00 0.00 C ATOM 1243 O CYS A 93 2.462 -4.095 -4.737 1.00 0.00 O ATOM 1244 CB CYS A 93 0.350 -6.324 -3.670 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.596 -7.821 -4.045 1.00 0.00 S ATOM 0 H CYS A 93 1.796 -6.539 -5.809 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.597 -4.976 -5.038 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.365 -6.608 -3.392 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.093 -5.834 -2.803 1.00 0.00 H new ATOM 1250 N GLN A 94 0.652 -3.127 -3.808 1.00 0.00 N ATOM 1251 CA GLN A 94 1.359 -1.929 -3.401 1.00 0.00 C ATOM 1252 C GLN A 94 0.709 -1.343 -2.156 1.00 0.00 C ATOM 1253 O GLN A 94 -0.510 -1.397 -2.005 1.00 0.00 O ATOM 1254 CB GLN A 94 1.344 -0.918 -4.545 1.00 0.00 C ATOM 1255 CG GLN A 94 0.278 0.140 -4.275 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.191 0.780 -5.574 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -0.265 0.115 -6.605 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -0.509 2.076 -5.522 1.00 0.00 N ATOM 0 H GLN A 94 -0.338 -3.135 -3.562 1.00 0.00 H new ATOM 0 HA GLN A 94 2.394 -2.176 -3.164 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.322 -0.447 -4.641 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.139 -1.424 -5.489 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.569 -0.314 -3.762 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.679 0.906 -3.611 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.431 2.585 -4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.830 2.556 -6.363 1.00 0.00 H new ATOM 1267 N VAL A 95 1.526 -0.782 -1.261 1.00 0.00 N ATOM 1268 CA VAL A 95 1.029 -0.190 -0.036 1.00 0.00 C ATOM 1269 C VAL A 95 1.042 1.327 -0.155 1.00 0.00 C ATOM 1270 O VAL A 95 1.701 1.877 -1.035 1.00 0.00 O ATOM 1271 CB VAL A 95 1.892 -0.649 1.136 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.725 0.323 2.301 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.456 -2.045 1.572 1.00 0.00 C ATOM 0 H VAL A 95 2.539 -0.730 -1.371 1.00 0.00 H new ATOM 0 HA VAL A 95 0.002 -0.512 0.139 1.00 0.00 H new ATOM 0 HB VAL A 95 2.938 -0.674 0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.341 -0.004 3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.035 1.321 1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.679 0.347 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.072 -2.374 2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.410 -2.020 1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.574 -2.739 0.740 1.00 0.00 H new ATOM 1283 N GLY A 96 0.313 2.005 0.734 1.00 0.00 N ATOM 1284 CA GLY A 96 0.248 3.453 0.720 1.00 0.00 C ATOM 1285 C GLY A 96 -0.579 3.955 1.895 1.00 0.00 C ATOM 1286 O GLY A 96 -1.253 3.174 2.562 1.00 0.00 O ATOM 0 H GLY A 96 -0.239 1.566 1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.254 3.870 0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.193 3.795 -0.216 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.527 5.266 2.146 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.269 5.866 3.236 1.00 0.00 C ATOM 1292 C LEU A 97 -2.546 6.501 2.704 1.00 0.00 C ATOM 1293 O LEU A 97 -2.666 6.750 1.506 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.397 6.907 3.932 1.00 0.00 C ATOM 1295 CG LEU A 97 0.682 6.202 4.749 1.00 0.00 C ATOM 1296 CD1 LEU A 97 1.907 5.959 3.872 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.072 7.076 5.938 1.00 0.00 C ATOM 0 H LEU A 97 0.027 5.927 1.601 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.543 5.098 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.062 7.565 3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.008 7.534 4.581 1.00 0.00 H new ATOM 0 HG LEU A 97 0.299 5.247 5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.678 5.455 4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.629 5.335 3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.291 6.913 3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.843 6.573 6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.455 8.031 5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.197 7.249 6.565 1.00 0.00 H new ATOM 1309 N SER A 98 -3.501 6.765 3.598 1.00 0.00 N ATOM 1310 CA SER A 98 -4.760 7.370 3.214 1.00 0.00 C ATOM 1311 C SER A 98 -5.356 8.119 4.398 1.00 0.00 C ATOM 1312 O SER A 98 -5.655 7.519 5.429 1.00 0.00 O ATOM 1313 CB SER A 98 -5.716 6.286 2.724 1.00 0.00 C ATOM 1314 OG SER A 98 -5.060 5.476 1.774 1.00 0.00 O ATOM 0 H SER A 98 -3.417 6.565 4.595 1.00 0.00 H new ATOM 0 HA SER A 98 -4.593 8.082 2.406 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.055 5.679 3.563 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.602 6.741 2.281 1.00 0.00 H new ATOM 0 HG SER A 98 -5.673 4.779 1.460 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.528 9.434 4.249 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.086 10.257 5.303 1.00 0.00 C ATOM 1322 C ASP A 99 -7.440 10.800 4.871 1.00 0.00 C ATOM 1323 O ASP A 99 -8.002 10.350 3.875 1.00 0.00 O ATOM 1324 CB ASP A 99 -5.122 11.397 5.621 1.00 0.00 C ATOM 1325 CG ASP A 99 -4.932 12.301 4.411 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.305 11.854 3.305 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -4.418 13.422 4.615 1.00 0.00 O ATOM 0 H ASP A 99 -5.285 9.946 3.401 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.228 9.657 6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.505 11.980 6.459 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.160 10.989 5.930 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.965 11.769 5.624 1.00 0.00 N ATOM 1333 CA ALA A 100 -9.249 12.366 5.316 1.00 0.00 C ATOM 1334 C ALA A 100 -9.268 12.829 3.867 1.00 0.00 C ATOM 1335 O ALA A 100 -10.335 13.024 3.289 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.505 13.536 6.262 1.00 0.00 C ATOM 0 H ALA A 100 -7.512 12.153 6.453 1.00 0.00 H new ATOM 0 HA ALA A 100 -10.040 11.628 5.451 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.471 13.986 6.031 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.508 13.178 7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.719 14.281 6.140 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.082 13.006 3.279 1.00 0.00 N ATOM 1343 CA ALA A 101 -7.969 13.447 1.903 1.00 0.00 C ATOM 1344 C ALA A 101 -7.610 12.266 1.012 1.00 0.00 C ATOM 1345 O ALA A 101 -7.876 12.288 -0.187 1.00 0.00 O ATOM 1346 CB ALA A 101 -6.909 14.540 1.806 1.00 0.00 C ATOM 0 H ALA A 101 -7.188 12.848 3.744 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.923 13.854 1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.823 14.873 0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.196 15.382 2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.949 14.147 2.142 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.004 11.232 1.601 1.00 0.00 N ATOM 1353 CA GLY A 102 -6.614 10.053 0.855 1.00 0.00 C ATOM 1354 C GLY A 102 -5.247 10.260 0.217 1.00 0.00 C ATOM 1355 O GLY A 102 -4.905 9.591 -0.755 1.00 0.00 O ATOM 0 H GLY A 102 -6.776 11.196 2.595 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.587 9.188 1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.354 9.841 0.084 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.465 11.191 0.769 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.143 11.479 0.252 1.00 0.00 C ATOM 1361 C ASN A 103 -2.275 10.231 0.321 1.00 0.00 C ATOM 1362 O ASN A 103 -2.783 9.114 0.262 1.00 0.00 O ATOM 1363 CB ASN A 103 -2.520 12.616 1.058 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.010 12.114 2.401 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -1.046 12.651 2.941 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.661 11.081 2.941 1.00 0.00 N ATOM 0 H ASN A 103 -4.734 11.755 1.576 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.217 11.786 -0.791 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -1.698 13.059 0.495 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.258 13.402 1.216 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.363 10.704 3.841 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.457 10.669 2.454 1.00 0.00 H new ATOM 1373 N GLY A 104 -0.959 10.422 0.448 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.033 9.311 0.525 1.00 0.00 C ATOM 1375 C GLY A 104 1.261 9.651 -0.203 1.00 0.00 C ATOM 1376 O GLY A 104 1.263 10.466 -1.123 1.00 0.00 O ATOM 0 H GLY A 104 -0.519 11.341 0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.179 9.077 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.484 8.422 0.084 1.00 0.00 H new ATOM 1380 N PRO A 105 2.363 9.023 0.214 1.00 0.00 N ATOM 1381 CA PRO A 105 3.678 9.219 -0.358 1.00 0.00 C ATOM 1382 C PRO A 105 3.740 8.566 -1.732 1.00 0.00 C ATOM 1383 O PRO A 105 2.873 7.769 -2.082 1.00 0.00 O ATOM 1384 CB PRO A 105 4.634 8.535 0.616 1.00 0.00 C ATOM 1385 CG PRO A 105 3.777 7.413 1.201 1.00 0.00 C ATOM 1386 CD PRO A 105 2.397 8.060 1.292 1.00 0.00 C ATOM 0 HA PRO A 105 3.929 10.271 -0.494 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.518 8.147 0.110 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.984 9.221 1.388 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.770 6.532 0.559 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.140 7.093 2.178 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.606 7.318 1.184 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.251 8.544 2.258 1.00 0.00 H new ATOM 1394 N GLU A 106 4.768 8.908 -2.512 1.00 0.00 N ATOM 1395 CA GLU A 106 4.934 8.354 -3.841 1.00 0.00 C ATOM 1396 C GLU A 106 4.424 6.920 -3.872 1.00 0.00 C ATOM 1397 O GLU A 106 4.866 6.083 -3.087 1.00 0.00 O ATOM 1398 CB GLU A 106 6.406 8.413 -4.235 1.00 0.00 C ATOM 1399 CG GLU A 106 7.201 7.426 -3.385 1.00 0.00 C ATOM 1400 CD GLU A 106 8.665 7.834 -3.305 1.00 0.00 C ATOM 1401 OE1 GLU A 106 9.269 7.995 -4.388 1.00 0.00 O ATOM 1402 OE2 GLU A 106 9.153 7.977 -2.163 1.00 0.00 O ATOM 0 H GLU A 106 5.495 9.568 -2.238 1.00 0.00 H new ATOM 0 HA GLU A 106 4.356 8.938 -4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.520 8.173 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.791 9.423 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.777 7.380 -2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 106 7.121 6.426 -3.811 1.00 0.00 H new ATOM 1409 N GLY A 107 3.492 6.635 -4.784 1.00 0.00 N ATOM 1410 CA GLY A 107 2.932 5.304 -4.910 1.00 0.00 C ATOM 1411 C GLY A 107 4.008 4.254 -4.674 1.00 0.00 C ATOM 1412 O GLY A 107 5.109 4.358 -5.211 1.00 0.00 O ATOM 0 H GLY A 107 3.114 7.315 -5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.123 5.173 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.501 5.176 -5.903 1.00 0.00 H new ATOM 1416 N VAL A 108 3.687 3.240 -3.867 1.00 0.00 N ATOM 1417 CA VAL A 108 4.625 2.178 -3.563 1.00 0.00 C ATOM 1418 C VAL A 108 4.191 0.895 -4.257 1.00 0.00 C ATOM 1419 O VAL A 108 3.253 0.235 -3.816 1.00 0.00 O ATOM 1420 CB VAL A 108 4.695 1.979 -2.052 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.014 0.519 -1.745 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.789 2.871 -1.472 1.00 0.00 C ATOM 0 H VAL A 108 2.778 3.140 -3.415 1.00 0.00 H new ATOM 0 HA VAL A 108 5.617 2.447 -3.926 1.00 0.00 H new ATOM 0 HB VAL A 108 3.736 2.243 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.064 0.377 -0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.233 -0.119 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 108 5.973 0.255 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.840 2.729 -0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.748 2.607 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.562 3.914 -1.691 1.00 0.00 H new ATOM 1432 N ALA A 109 4.878 0.542 -5.347 1.00 0.00 N ATOM 1433 CA ALA A 109 4.561 -0.658 -6.095 1.00 0.00 C ATOM 1434 C ALA A 109 5.292 -1.849 -5.493 1.00 0.00 C ATOM 1435 O ALA A 109 6.416 -1.713 -5.015 1.00 0.00 O ATOM 1436 CB ALA A 109 4.954 -0.463 -7.556 1.00 0.00 C ATOM 0 H ALA A 109 5.659 1.079 -5.725 1.00 0.00 H new ATOM 0 HA ALA A 109 3.490 -0.852 -6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.716 -1.365 -8.120 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.403 0.381 -7.971 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.024 -0.265 -7.622 1.00 0.00 H new ATOM 1442 N ILE A 110 4.651 -3.020 -5.517 1.00 0.00 N ATOM 1443 CA ILE A 110 5.241 -4.228 -4.977 1.00 0.00 C ATOM 1444 C ILE A 110 5.452 -5.241 -6.093 1.00 0.00 C ATOM 1445 O ILE A 110 4.820 -5.152 -7.143 1.00 0.00 O ATOM 1446 CB ILE A 110 4.330 -4.798 -3.893 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.514 -3.670 -3.269 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.179 -5.469 -2.817 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.000 -4.111 -1.901 1.00 0.00 C ATOM 0 H ILE A 110 3.718 -3.148 -5.909 1.00 0.00 H new ATOM 0 HA ILE A 110 6.210 -3.998 -4.534 1.00 0.00 H new ATOM 0 HB ILE A 110 3.656 -5.532 -4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.128 -2.775 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.677 -3.410 -3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.529 -5.876 -2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.761 -6.275 -3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.854 -4.735 -2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.417 -3.306 -1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.371 -4.994 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.845 -4.349 -1.254 1.00 0.00 H new ATOM 1461 N SER A 111 6.345 -6.207 -5.865 1.00 0.00 N ATOM 1462 CA SER A 111 6.633 -7.230 -6.850 1.00 0.00 C ATOM 1463 C SER A 111 6.903 -8.557 -6.154 1.00 0.00 C ATOM 1464 O SER A 111 7.882 -8.688 -5.422 1.00 0.00 O ATOM 1465 CB SER A 111 7.835 -6.804 -7.688 1.00 0.00 C ATOM 1466 OG SER A 111 7.531 -6.956 -9.057 1.00 0.00 O ATOM 0 H SER A 111 6.879 -6.295 -5.000 1.00 0.00 H new ATOM 0 HA SER A 111 5.774 -7.357 -7.509 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.091 -5.766 -7.474 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.705 -7.407 -7.428 1.00 0.00 H new ATOM 0 HG SER A 111 8.302 -6.681 -9.596 1.00 0.00 H new ATOM 1472 N PHE A 112 6.032 -9.542 -6.384 1.00 0.00 N ATOM 1473 CA PHE A 112 6.183 -10.850 -5.780 1.00 0.00 C ATOM 1474 C PHE A 112 6.797 -11.815 -6.785 1.00 0.00 C ATOM 1475 O PHE A 112 6.288 -11.968 -7.893 1.00 0.00 O ATOM 1476 CB PHE A 112 4.821 -11.352 -5.310 1.00 0.00 C ATOM 1477 CG PHE A 112 4.065 -10.348 -4.473 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.302 -9.352 -5.095 1.00 0.00 C ATOM 1479 CD2 PHE A 112 4.128 -10.412 -3.076 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.602 -8.420 -4.320 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.428 -9.479 -2.301 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.665 -8.484 -2.923 1.00 0.00 C ATOM 0 H PHE A 112 5.215 -9.449 -6.988 1.00 0.00 H new ATOM 0 HA PHE A 112 6.848 -10.783 -4.919 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.219 -11.614 -6.180 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.959 -12.265 -4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.254 -9.303 -6.173 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.716 -11.180 -2.596 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.014 -7.652 -4.800 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.477 -9.527 -1.223 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.125 -7.765 -2.325 1.00 0.00 H new ATOM 1492 N ASN A 113 7.895 -12.468 -6.395 1.00 0.00 N ATOM 1493 CA ASN A 113 8.569 -13.413 -7.262 1.00 0.00 C ATOM 1494 C ASN A 113 9.068 -12.704 -8.513 1.00 0.00 C ATOM 1495 O ASN A 113 9.500 -11.556 -8.449 1.00 0.00 O ATOM 1496 CB ASN A 113 7.609 -14.541 -7.626 1.00 0.00 C ATOM 1497 CG ASN A 113 7.121 -15.263 -6.378 1.00 0.00 C ATOM 1498 OD1 ASN A 113 7.766 -16.197 -5.907 1.00 0.00 O ATOM 1499 ND2 ASN A 113 5.979 -14.827 -5.841 1.00 0.00 N ATOM 0 H ASN A 113 8.330 -12.353 -5.480 1.00 0.00 H new ATOM 0 HA ASN A 113 9.429 -13.838 -6.744 1.00 0.00 H new ATOM 0 HB2 ASN A 113 6.758 -14.137 -8.173 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.107 -15.248 -8.289 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.606 -15.273 -5.003 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.479 -14.047 -6.269 1.00 0.00 H new