USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 634 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 67 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 82 THR OG1 : rot 18:sc=-0.00345 USER MOD Set 2.1: A 56 TYR OH : rot -158:sc= -7.94! USER MOD Set 2.2: A 66 LYS NZ :NH3+ -176:sc= -0.511 (180deg=-1.12) USER MOD Set 3.1: A 40 SER OG : rot -25:sc= 2.62 USER MOD Set 3.2: A 43 TYR OH : rot -55:sc= 0.495! USER MOD Set 4.1: A 41 SER OG : rot -79:sc= 0.356 USER MOD Set 4.2: A 42 GLN : amide:sc= -3.1! C(o=-2.7!,f=-5.7!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -18.2! C(o=-18!,f=-20!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.935 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 62:sc= -2.07! USER MOD Single : A 21 THR OG1 : rot -21:sc= 0.948 USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= -0.547 (180deg=-1.16) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 108:sc= 1.03 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -8.53! C(o=-8.5!,f=-5.3!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0818 USER MOD Single : A 33 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.1) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.079) USER MOD Single : A 44 THR OG1 : rot 64:sc= -1.04! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -5.39! C(o=-5.4!,f=-7.6!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -7.08! C(o=-7.1!,f=-3.1!) USER MOD Single : A 59 THR OG1 : rot 84:sc= 1.02 USER MOD Single : A 63 ASN : amide:sc= -3.06! C(o=-3.1!,f=-4.1!) USER MOD Single : A 64 THR OG1 : rot -66:sc= -0.0403 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 75:sc= 0.696 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -11.8! C(o=-12!,f=-21!) USER MOD Single : A 80 LYS NZ :NH3+ 162:sc= -0.299 (180deg=-0.952) USER MOD Single : A 84 THR OG1 : rot 74:sc= 0.168 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -7.003 16.653 -5.869 1.00 0.00 N ATOM 38 CA ASP A 3 -7.950 15.628 -6.290 1.00 0.00 C ATOM 39 C ASP A 3 -7.229 14.394 -6.825 1.00 0.00 C ATOM 40 O ASP A 3 -7.478 13.954 -7.947 1.00 0.00 O ATOM 41 CB ASP A 3 -8.891 16.186 -7.359 1.00 0.00 C ATOM 42 CG ASP A 3 -8.154 16.979 -8.421 1.00 0.00 C ATOM 43 OD1 ASP A 3 -6.934 16.761 -8.585 1.00 0.00 O ATOM 44 OD2 ASP A 3 -8.795 17.814 -9.090 1.00 0.00 O ATOM 0 HA ASP A 3 -8.532 15.330 -5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.428 15.364 -7.831 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.637 16.824 -6.885 1.00 0.00 H new ATOM 49 N PRO A 4 -6.322 13.811 -6.023 1.00 0.00 N ATOM 50 CA PRO A 4 -5.571 12.615 -6.418 1.00 0.00 C ATOM 51 C PRO A 4 -6.425 11.360 -6.313 1.00 0.00 C ATOM 52 O PRO A 4 -7.247 11.237 -5.406 1.00 0.00 O ATOM 53 CB PRO A 4 -4.429 12.577 -5.404 1.00 0.00 C ATOM 54 CG PRO A 4 -4.996 13.219 -4.183 1.00 0.00 C ATOM 55 CD PRO A 4 -5.962 14.267 -4.670 1.00 0.00 C ATOM 0 HA PRO A 4 -5.234 12.650 -7.454 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -4.110 11.554 -5.203 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.556 13.118 -5.768 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.502 12.485 -3.556 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.208 13.667 -3.577 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.838 14.335 -4.024 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -5.503 15.256 -4.690 1.00 0.00 H new ATOM 63 N THR A 5 -6.238 10.426 -7.242 1.00 0.00 N ATOM 64 CA THR A 5 -7.018 9.193 -7.221 1.00 0.00 C ATOM 65 C THR A 5 -6.142 7.966 -7.443 1.00 0.00 C ATOM 66 O THR A 5 -5.850 7.595 -8.574 1.00 0.00 O ATOM 67 CB THR A 5 -8.127 9.239 -8.273 1.00 0.00 C ATOM 68 OG1 THR A 5 -8.806 10.484 -8.235 1.00 0.00 O ATOM 69 CG2 THR A 5 -9.158 8.148 -8.097 1.00 0.00 C ATOM 0 H THR A 5 -5.566 10.497 -8.006 1.00 0.00 H new ATOM 0 HA THR A 5 -7.467 9.111 -6.231 1.00 0.00 H new ATOM 0 HB THR A 5 -7.625 9.094 -9.230 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.510 10.493 -8.916 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.917 8.236 -8.874 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.674 7.174 -8.171 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.628 8.246 -7.118 1.00 0.00 H new ATOM 77 N ILE A 6 -5.728 7.338 -6.352 1.00 0.00 N ATOM 78 CA ILE A 6 -4.893 6.153 -6.442 1.00 0.00 C ATOM 79 C ILE A 6 -5.623 4.920 -5.921 1.00 0.00 C ATOM 80 O ILE A 6 -6.724 5.019 -5.383 1.00 0.00 O ATOM 81 CB ILE A 6 -3.564 6.340 -5.668 1.00 0.00 C ATOM 82 CG1 ILE A 6 -3.725 5.979 -4.188 1.00 0.00 C ATOM 83 CG2 ILE A 6 -3.072 7.775 -5.808 1.00 0.00 C ATOM 84 CD1 ILE A 6 -2.426 6.029 -3.415 1.00 0.00 C ATOM 0 H ILE A 6 -5.956 7.628 -5.401 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.664 6.004 -7.497 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.826 5.664 -6.100 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.439 6.664 -3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.148 4.978 -4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.137 7.894 -5.260 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.906 8.002 -6.861 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.820 8.457 -5.403 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.611 5.763 -2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.717 5.324 -3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.012 7.036 -3.464 1.00 0.00 H new ATOM 96 N ASN A 7 -4.996 3.758 -6.086 1.00 0.00 N ATOM 97 CA ASN A 7 -5.570 2.491 -5.635 1.00 0.00 C ATOM 98 C ASN A 7 -6.266 2.644 -4.290 1.00 0.00 C ATOM 99 O ASN A 7 -6.126 3.662 -3.613 1.00 0.00 O ATOM 100 CB ASN A 7 -4.473 1.431 -5.532 1.00 0.00 C ATOM 101 CG ASN A 7 -3.551 1.670 -4.349 1.00 0.00 C ATOM 102 OD1 ASN A 7 -3.419 0.819 -3.472 1.00 0.00 O ATOM 103 ND2 ASN A 7 -2.911 2.836 -4.321 1.00 0.00 N ATOM 0 H ASN A 7 -4.083 3.667 -6.532 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.314 2.179 -6.368 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.930 0.446 -5.440 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.887 1.427 -6.451 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.280 3.053 -3.549 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.051 3.513 -5.071 1.00 0.00 H new ATOM 110 N PRO A 8 -7.038 1.624 -3.894 1.00 0.00 N ATOM 111 CA PRO A 8 -7.776 1.643 -2.638 1.00 0.00 C ATOM 112 C PRO A 8 -6.933 2.147 -1.475 1.00 0.00 C ATOM 113 O PRO A 8 -5.732 2.372 -1.616 1.00 0.00 O ATOM 114 CB PRO A 8 -8.169 0.180 -2.444 1.00 0.00 C ATOM 115 CG PRO A 8 -8.303 -0.340 -3.830 1.00 0.00 C ATOM 116 CD PRO A 8 -7.264 0.376 -4.646 1.00 0.00 C ATOM 0 HA PRO A 8 -8.628 2.322 -2.669 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.411 -0.367 -1.884 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.103 0.087 -1.890 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.146 -1.418 -3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.303 -0.153 -4.221 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.349 -0.210 -4.736 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.615 0.575 -5.658 1.00 0.00 H new ATOM 124 N THR A 9 -7.572 2.338 -0.325 1.00 0.00 N ATOM 125 CA THR A 9 -6.883 2.833 0.849 1.00 0.00 C ATOM 126 C THR A 9 -6.887 1.809 1.982 1.00 0.00 C ATOM 127 O THR A 9 -6.454 2.111 3.093 1.00 0.00 O ATOM 128 CB THR A 9 -7.537 4.129 1.326 1.00 0.00 C ATOM 129 OG1 THR A 9 -8.448 4.614 0.357 1.00 0.00 O ATOM 130 CG2 THR A 9 -6.543 5.234 1.612 1.00 0.00 C ATOM 0 H THR A 9 -8.566 2.156 -0.187 1.00 0.00 H new ATOM 0 HA THR A 9 -5.846 3.021 0.570 1.00 0.00 H new ATOM 0 HB THR A 9 -8.045 3.871 2.255 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.858 5.443 0.680 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.075 6.125 1.946 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.853 4.910 2.391 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.984 5.464 0.705 1.00 0.00 H new ATOM 138 N SER A 10 -7.376 0.602 1.707 1.00 0.00 N ATOM 139 CA SER A 10 -7.423 -0.435 2.731 1.00 0.00 C ATOM 140 C SER A 10 -7.575 -1.828 2.123 1.00 0.00 C ATOM 141 O SER A 10 -8.388 -2.044 1.224 1.00 0.00 O ATOM 142 CB SER A 10 -8.576 -0.165 3.701 1.00 0.00 C ATOM 143 OG SER A 10 -8.835 1.218 3.813 1.00 0.00 O ATOM 0 H SER A 10 -7.740 0.322 0.796 1.00 0.00 H new ATOM 0 HA SER A 10 -6.476 -0.407 3.270 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.473 -0.679 3.356 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.333 -0.573 4.682 1.00 0.00 H new ATOM 0 HG SER A 10 -9.576 1.362 4.437 1.00 0.00 H new ATOM 149 N ILE A 11 -6.790 -2.771 2.638 1.00 0.00 N ATOM 150 CA ILE A 11 -6.821 -4.149 2.178 1.00 0.00 C ATOM 151 C ILE A 11 -6.352 -5.089 3.285 1.00 0.00 C ATOM 152 O ILE A 11 -5.761 -4.648 4.271 1.00 0.00 O ATOM 153 CB ILE A 11 -5.929 -4.348 0.942 1.00 0.00 C ATOM 154 CG1 ILE A 11 -4.537 -3.761 1.188 1.00 0.00 C ATOM 155 CG2 ILE A 11 -6.576 -3.719 -0.278 1.00 0.00 C ATOM 156 CD1 ILE A 11 -3.699 -3.630 -0.063 1.00 0.00 C ATOM 0 H ILE A 11 -6.117 -2.598 3.385 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.852 -4.379 1.908 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.817 -5.416 0.757 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.644 -2.778 1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.009 -4.391 1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.935 -3.867 -1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.544 -4.186 -0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.715 -2.652 -0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.727 -3.207 0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.560 -4.613 -0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.205 -2.975 -0.773 1.00 0.00 H new ATOM 168 N SER A 12 -6.620 -6.381 3.127 1.00 0.00 N ATOM 169 CA SER A 12 -6.218 -7.363 4.129 1.00 0.00 C ATOM 170 C SER A 12 -5.731 -8.655 3.480 1.00 0.00 C ATOM 171 O SER A 12 -6.320 -9.140 2.514 1.00 0.00 O ATOM 172 CB SER A 12 -7.380 -7.665 5.075 1.00 0.00 C ATOM 173 OG SER A 12 -8.528 -6.908 4.734 1.00 0.00 O ATOM 0 H SER A 12 -7.110 -6.771 2.322 1.00 0.00 H new ATOM 0 HA SER A 12 -5.392 -6.935 4.697 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.617 -8.728 5.036 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.085 -7.442 6.100 1.00 0.00 H new ATOM 0 HG SER A 12 -9.257 -7.122 5.354 1.00 0.00 H new ATOM 179 N ALA A 13 -4.649 -9.202 4.023 1.00 0.00 N ATOM 180 CA ALA A 13 -4.071 -10.438 3.511 1.00 0.00 C ATOM 181 C ALA A 13 -2.990 -10.959 4.452 1.00 0.00 C ATOM 182 O ALA A 13 -2.278 -10.180 5.088 1.00 0.00 O ATOM 183 CB ALA A 13 -3.501 -10.210 2.119 1.00 0.00 C ATOM 0 H ALA A 13 -4.153 -8.806 4.821 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.858 -11.190 3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.071 -11.139 1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.296 -9.883 1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.726 -9.444 2.164 1.00 0.00 H new ATOM 189 N LYS A 14 -2.860 -12.278 4.538 1.00 0.00 N ATOM 190 CA LYS A 14 -1.851 -12.884 5.399 1.00 0.00 C ATOM 191 C LYS A 14 -0.462 -12.639 4.821 1.00 0.00 C ATOM 192 O LYS A 14 -0.280 -12.643 3.605 1.00 0.00 O ATOM 193 CB LYS A 14 -2.108 -14.387 5.561 1.00 0.00 C ATOM 194 CG LYS A 14 -0.928 -15.153 6.133 1.00 0.00 C ATOM 195 CD LYS A 14 -1.164 -16.655 6.091 1.00 0.00 C ATOM 196 CE LYS A 14 -0.153 -17.353 5.193 1.00 0.00 C ATOM 197 NZ LYS A 14 -0.786 -17.885 3.954 1.00 0.00 N ATOM 0 H LYS A 14 -3.437 -12.945 4.025 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.910 -12.423 6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.971 -14.530 6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.366 -14.809 4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.027 -14.909 5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.754 -14.840 7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.099 -17.063 7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.173 -16.856 5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.639 -16.653 4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.316 -18.170 5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.065 -18.353 3.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.524 -18.572 4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.212 -17.102 3.418 1.00 0.00 H new ATOM 211 N ALA A 15 0.513 -12.410 5.687 1.00 0.00 N ATOM 212 CA ALA A 15 1.861 -12.154 5.217 1.00 0.00 C ATOM 213 C ALA A 15 2.341 -13.285 4.338 1.00 0.00 C ATOM 214 O ALA A 15 2.675 -14.374 4.800 1.00 0.00 O ATOM 215 CB ALA A 15 2.821 -11.903 6.373 1.00 0.00 C ATOM 0 H ALA A 15 0.398 -12.396 6.700 1.00 0.00 H new ATOM 0 HA ALA A 15 1.839 -11.244 4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.821 -11.715 5.981 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.486 -11.036 6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.844 -12.778 7.023 1.00 0.00 H new ATOM 221 N GLY A 16 2.333 -13.000 3.051 1.00 0.00 N ATOM 222 CA GLY A 16 2.723 -13.966 2.059 1.00 0.00 C ATOM 223 C GLY A 16 1.663 -14.059 0.994 1.00 0.00 C ATOM 224 O GLY A 16 1.957 -14.114 -0.189 1.00 0.00 O ATOM 0 H GLY A 16 2.056 -12.095 2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.675 -13.679 1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.870 -14.940 2.525 1.00 0.00 H new ATOM 228 N SER A 17 0.409 -14.012 1.424 1.00 0.00 N ATOM 229 CA SER A 17 -0.704 -14.050 0.512 1.00 0.00 C ATOM 230 C SER A 17 -0.808 -12.723 -0.220 1.00 0.00 C ATOM 231 O SER A 17 -1.826 -12.411 -0.840 1.00 0.00 O ATOM 232 CB SER A 17 -1.977 -14.318 1.298 1.00 0.00 C ATOM 233 OG SER A 17 -1.750 -14.222 2.693 1.00 0.00 O ATOM 0 H SER A 17 0.146 -13.947 2.407 1.00 0.00 H new ATOM 0 HA SER A 17 -0.558 -14.843 -0.221 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.746 -13.605 1.003 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.354 -15.312 1.056 1.00 0.00 H new ATOM 0 HG SER A 17 -1.469 -13.310 2.917 1.00 0.00 H new ATOM 239 N PHE A 18 0.249 -11.941 -0.129 1.00 0.00 N ATOM 240 CA PHE A 18 0.301 -10.643 -0.745 1.00 0.00 C ATOM 241 C PHE A 18 1.008 -10.703 -2.081 1.00 0.00 C ATOM 242 O PHE A 18 2.152 -10.279 -2.208 1.00 0.00 O ATOM 243 CB PHE A 18 1.037 -9.704 0.178 1.00 0.00 C ATOM 244 CG PHE A 18 0.205 -9.211 1.327 1.00 0.00 C ATOM 245 CD1 PHE A 18 -0.892 -8.400 1.107 1.00 0.00 C ATOM 246 CD2 PHE A 18 0.522 -9.562 2.627 1.00 0.00 C ATOM 247 CE1 PHE A 18 -1.660 -7.949 2.162 1.00 0.00 C ATOM 248 CE2 PHE A 18 -0.236 -9.115 3.687 1.00 0.00 C ATOM 249 CZ PHE A 18 -1.332 -8.308 3.455 1.00 0.00 C ATOM 0 H PHE A 18 1.097 -12.195 0.378 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.715 -10.289 -0.919 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.918 -10.211 0.571 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.391 -8.848 -0.396 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.152 -8.116 0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.376 -10.196 2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.516 -7.317 1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.026 -9.395 4.697 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.931 -7.958 4.282 1.00 0.00 H new ATOM 259 N ALA A 19 0.319 -11.219 -3.078 1.00 0.00 N ATOM 260 CA ALA A 19 0.893 -11.319 -4.413 1.00 0.00 C ATOM 261 C ALA A 19 1.058 -9.930 -5.014 1.00 0.00 C ATOM 262 O ALA A 19 0.363 -8.994 -4.617 1.00 0.00 O ATOM 263 CB ALA A 19 0.020 -12.188 -5.304 1.00 0.00 C ATOM 0 H ALA A 19 -0.633 -11.575 -2.995 1.00 0.00 H new ATOM 0 HA ALA A 19 1.875 -11.786 -4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.464 -12.252 -6.298 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.056 -13.187 -4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.975 -11.749 -5.379 1.00 0.00 H new ATOM 269 N ASP A 20 1.991 -9.793 -5.957 1.00 0.00 N ATOM 270 CA ASP A 20 2.248 -8.503 -6.597 1.00 0.00 C ATOM 271 C ASP A 20 0.957 -7.707 -6.741 1.00 0.00 C ATOM 272 O ASP A 20 0.062 -8.090 -7.492 1.00 0.00 O ATOM 273 CB ASP A 20 2.888 -8.710 -7.971 1.00 0.00 C ATOM 274 CG ASP A 20 3.336 -7.408 -8.602 1.00 0.00 C ATOM 275 OD1 ASP A 20 4.449 -6.943 -8.280 1.00 0.00 O ATOM 276 OD2 ASP A 20 2.572 -6.853 -9.421 1.00 0.00 O ATOM 0 H ASP A 20 2.579 -10.556 -6.293 1.00 0.00 H new ATOM 0 HA ASP A 20 2.936 -7.940 -5.966 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.745 -9.377 -7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.174 -9.203 -8.631 1.00 0.00 H new ATOM 281 N THR A 21 0.853 -6.604 -5.998 1.00 0.00 N ATOM 282 CA THR A 21 -0.347 -5.783 -6.044 1.00 0.00 C ATOM 283 C THR A 21 -0.095 -4.461 -6.754 1.00 0.00 C ATOM 284 O THR A 21 0.460 -3.536 -6.175 1.00 0.00 O ATOM 285 CB THR A 21 -0.866 -5.524 -4.631 1.00 0.00 C ATOM 286 OG1 THR A 21 -0.632 -6.645 -3.797 1.00 0.00 O ATOM 287 CG2 THR A 21 -2.347 -5.218 -4.581 1.00 0.00 C ATOM 0 H THR A 21 1.578 -6.266 -5.366 1.00 0.00 H new ATOM 0 HA THR A 21 -1.100 -6.331 -6.611 1.00 0.00 H new ATOM 0 HB THR A 21 -0.319 -4.648 -4.281 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.499 -7.443 -4.351 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.648 -5.045 -3.548 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.555 -4.327 -5.174 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.907 -6.061 -4.985 1.00 0.00 H new ATOM 295 N LYS A 22 -0.519 -4.368 -8.007 1.00 0.00 N ATOM 296 CA LYS A 22 -0.333 -3.155 -8.775 1.00 0.00 C ATOM 297 C LYS A 22 -1.215 -2.043 -8.239 1.00 0.00 C ATOM 298 O LYS A 22 -2.227 -2.283 -7.578 1.00 0.00 O ATOM 299 CB LYS A 22 -0.618 -3.377 -10.268 1.00 0.00 C ATOM 300 CG LYS A 22 -1.160 -4.756 -10.618 1.00 0.00 C ATOM 301 CD LYS A 22 -0.079 -5.821 -10.519 1.00 0.00 C ATOM 302 CE LYS A 22 -0.674 -7.220 -10.515 1.00 0.00 C ATOM 303 NZ LYS A 22 -1.938 -7.283 -9.730 1.00 0.00 N ATOM 0 H LYS A 22 -0.993 -5.119 -8.508 1.00 0.00 H new ATOM 0 HA LYS A 22 0.712 -2.864 -8.672 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.333 -2.626 -10.602 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.303 -3.212 -10.827 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.982 -5.006 -9.947 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.567 -4.742 -11.629 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.610 -5.720 -11.357 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.501 -5.669 -9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.867 -7.535 -11.540 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.049 -7.921 -10.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.168 -8.276 -9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.820 -6.760 -8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.711 -6.857 -10.281 1.00 0.00 H new ATOM 317 N ILE A 23 -0.799 -0.826 -8.519 1.00 0.00 N ATOM 318 CA ILE A 23 -1.505 0.359 -8.071 1.00 0.00 C ATOM 319 C ILE A 23 -1.430 1.469 -9.114 1.00 0.00 C ATOM 320 O ILE A 23 -0.444 1.583 -9.840 1.00 0.00 O ATOM 321 CB ILE A 23 -0.922 0.855 -6.743 1.00 0.00 C ATOM 322 CG1 ILE A 23 -1.389 -0.035 -5.596 1.00 0.00 C ATOM 323 CG2 ILE A 23 -1.297 2.309 -6.483 1.00 0.00 C ATOM 324 CD1 ILE A 23 -0.896 0.414 -4.237 1.00 0.00 C ATOM 0 H ILE A 23 0.040 -0.629 -9.065 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.552 0.091 -7.927 1.00 0.00 H new ATOM 0 HB ILE A 23 0.165 0.800 -6.809 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.479 -0.059 -5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.049 -1.055 -5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.869 2.631 -5.534 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.909 2.934 -7.287 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.382 2.403 -6.442 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.268 -0.267 -3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.194 0.411 -4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.258 1.422 -4.033 1.00 0.00 H new ATOM 336 N THR A 24 -2.483 2.279 -9.187 1.00 0.00 N ATOM 337 CA THR A 24 -2.535 3.370 -10.151 1.00 0.00 C ATOM 338 C THR A 24 -2.787 4.708 -9.470 1.00 0.00 C ATOM 339 O THR A 24 -3.920 5.052 -9.142 1.00 0.00 O ATOM 340 CB THR A 24 -3.616 3.097 -11.186 1.00 0.00 C ATOM 341 OG1 THR A 24 -3.449 3.922 -12.324 1.00 0.00 O ATOM 342 CG2 THR A 24 -5.024 3.300 -10.666 1.00 0.00 C ATOM 0 H THR A 24 -3.308 2.200 -8.592 1.00 0.00 H new ATOM 0 HA THR A 24 -1.565 3.427 -10.646 1.00 0.00 H new ATOM 0 HB THR A 24 -3.497 2.045 -11.444 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.154 3.727 -12.976 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.739 3.087 -11.460 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.202 2.628 -9.827 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.145 4.332 -10.336 1.00 0.00 H new ATOM 350 N LEU A 25 -1.714 5.453 -9.263 1.00 0.00 N ATOM 351 CA LEU A 25 -1.784 6.743 -8.631 1.00 0.00 C ATOM 352 C LEU A 25 -2.207 7.826 -9.621 1.00 0.00 C ATOM 353 O LEU A 25 -1.375 8.357 -10.357 1.00 0.00 O ATOM 354 CB LEU A 25 -0.413 7.066 -8.063 1.00 0.00 C ATOM 355 CG LEU A 25 0.312 5.890 -7.413 1.00 0.00 C ATOM 356 CD1 LEU A 25 1.789 5.914 -7.770 1.00 0.00 C ATOM 357 CD2 LEU A 25 0.130 5.922 -5.903 1.00 0.00 C ATOM 0 H LEU A 25 -0.771 5.172 -9.532 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.532 6.715 -7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.212 7.460 -8.865 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.521 7.860 -7.324 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.121 4.965 -7.794 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.291 5.069 -7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.903 5.846 -8.852 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.234 6.844 -7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.653 5.077 -5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.538 6.852 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.931 5.860 -5.663 1.00 0.00 H new ATOM 369 N THR A 26 -3.495 8.163 -9.631 1.00 0.00 N ATOM 370 CA THR A 26 -3.999 9.195 -10.534 1.00 0.00 C ATOM 371 C THR A 26 -3.493 10.567 -10.103 1.00 0.00 C ATOM 372 O THR A 26 -3.884 11.080 -9.049 1.00 0.00 O ATOM 373 CB THR A 26 -5.527 9.195 -10.571 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.023 7.916 -10.921 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.100 10.195 -11.553 1.00 0.00 C ATOM 0 H THR A 26 -4.203 7.741 -9.030 1.00 0.00 H new ATOM 0 HA THR A 26 -3.630 8.974 -11.536 1.00 0.00 H new ATOM 0 HB THR A 26 -5.840 9.475 -9.565 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.428 7.495 -10.134 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.189 10.144 -11.530 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.778 11.200 -11.279 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.747 9.962 -12.557 1.00 0.00 H new ATOM 383 N PRO A 27 -2.600 11.165 -10.917 1.00 0.00 N ATOM 384 CA PRO A 27 -2.001 12.475 -10.651 1.00 0.00 C ATOM 385 C PRO A 27 -2.791 13.623 -11.248 1.00 0.00 C ATOM 386 O PRO A 27 -2.370 14.765 -11.169 1.00 0.00 O ATOM 387 CB PRO A 27 -0.680 12.345 -11.378 1.00 0.00 C ATOM 388 CG PRO A 27 -1.053 11.613 -12.614 1.00 0.00 C ATOM 389 CD PRO A 27 -2.091 10.604 -12.186 1.00 0.00 C ATOM 0 HA PRO A 27 -1.943 12.700 -9.586 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.244 13.319 -11.601 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.053 11.795 -10.788 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.453 12.292 -13.367 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.186 11.121 -13.056 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.883 10.501 -12.928 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.657 9.614 -12.044 1.00 0.00 H new ATOM 397 N ASN A 28 -3.912 13.274 -11.867 1.00 0.00 N ATOM 398 CA ASN A 28 -4.804 14.197 -12.542 1.00 0.00 C ATOM 399 C ASN A 28 -4.904 15.505 -11.796 1.00 0.00 C ATOM 400 O ASN A 28 -5.939 15.869 -11.236 1.00 0.00 O ATOM 401 CB ASN A 28 -6.193 13.574 -12.689 1.00 0.00 C ATOM 402 CG ASN A 28 -6.745 13.711 -14.096 1.00 0.00 C ATOM 403 OD1 ASN A 28 -7.556 14.593 -14.373 1.00 0.00 O ATOM 404 ND2 ASN A 28 -6.303 12.836 -14.992 1.00 0.00 N ATOM 0 H ASN A 28 -4.232 12.307 -11.912 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.393 14.400 -13.531 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.144 12.518 -12.422 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.877 14.049 -11.986 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.637 12.879 -15.955 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.630 12.121 -14.717 1.00 0.00 H new ATOM 411 N GLY A 29 -3.791 16.189 -11.808 1.00 0.00 N ATOM 412 CA GLY A 29 -3.668 17.474 -11.147 1.00 0.00 C ATOM 413 C GLY A 29 -2.729 17.426 -9.958 1.00 0.00 C ATOM 414 O GLY A 29 -2.126 18.431 -9.584 1.00 0.00 O ATOM 0 H GLY A 29 -2.940 15.876 -12.275 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.307 18.214 -11.862 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.652 17.805 -10.816 1.00 0.00 H new ATOM 418 N ASN A 30 -2.612 16.246 -9.367 1.00 0.00 N ATOM 419 CA ASN A 30 -1.751 16.032 -8.213 1.00 0.00 C ATOM 420 C ASN A 30 -0.565 15.145 -8.577 1.00 0.00 C ATOM 421 O ASN A 30 -0.544 14.522 -9.639 1.00 0.00 O ATOM 422 CB ASN A 30 -2.548 15.390 -7.080 1.00 0.00 C ATOM 423 CG ASN A 30 -4.046 15.452 -7.312 1.00 0.00 C ATOM 424 OD1 ASN A 30 -4.751 16.225 -6.669 1.00 0.00 O ATOM 425 ND2 ASN A 30 -4.539 14.638 -8.240 1.00 0.00 N ATOM 0 H ASN A 30 -3.111 15.411 -9.673 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.371 17.000 -7.886 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.244 14.349 -6.971 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.308 15.892 -6.142 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.539 14.640 -8.441 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.917 14.011 -8.751 1.00 0.00 H new ATOM 432 N THR A 31 0.413 15.090 -7.688 1.00 0.00 N ATOM 433 CA THR A 31 1.601 14.278 -7.913 1.00 0.00 C ATOM 434 C THR A 31 1.919 13.431 -6.688 1.00 0.00 C ATOM 435 O THR A 31 1.499 13.744 -5.573 1.00 0.00 O ATOM 436 CB THR A 31 2.798 15.166 -8.256 1.00 0.00 C ATOM 437 OG1 THR A 31 3.984 14.397 -8.336 1.00 0.00 O ATOM 438 CG2 THR A 31 3.034 16.269 -7.246 1.00 0.00 C ATOM 0 H THR A 31 0.409 15.597 -6.803 1.00 0.00 H new ATOM 0 HA THR A 31 1.400 13.613 -8.753 1.00 0.00 H new ATOM 0 HB THR A 31 2.555 15.621 -9.216 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.739 14.982 -8.558 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.897 16.861 -7.549 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.154 16.910 -7.195 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.221 15.831 -6.266 1.00 0.00 H new ATOM 446 N PHE A 32 2.666 12.355 -6.903 1.00 0.00 N ATOM 447 CA PHE A 32 3.048 11.456 -5.821 1.00 0.00 C ATOM 448 C PHE A 32 4.566 11.337 -5.730 1.00 0.00 C ATOM 449 O PHE A 32 5.275 11.548 -6.714 1.00 0.00 O ATOM 450 CB PHE A 32 2.420 10.074 -6.033 1.00 0.00 C ATOM 451 CG PHE A 32 3.033 8.992 -5.185 1.00 0.00 C ATOM 452 CD1 PHE A 32 2.875 8.999 -3.809 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.766 7.973 -5.767 1.00 0.00 C ATOM 454 CE1 PHE A 32 3.436 8.008 -3.030 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.330 6.978 -4.993 1.00 0.00 C ATOM 456 CZ PHE A 32 4.166 6.996 -3.623 1.00 0.00 C ATOM 0 H PHE A 32 3.020 12.083 -7.820 1.00 0.00 H new ATOM 0 HA PHE A 32 2.679 11.871 -4.883 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.353 10.133 -5.816 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.517 9.798 -7.083 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.306 9.789 -3.341 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.899 7.956 -6.839 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.305 8.023 -1.958 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.899 6.187 -5.459 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.608 6.220 -3.015 1.00 0.00 H new ATOM 466 N ASN A 33 5.063 10.998 -4.544 1.00 0.00 N ATOM 467 CA ASN A 33 6.496 10.853 -4.329 1.00 0.00 C ATOM 468 C ASN A 33 6.854 9.419 -3.947 1.00 0.00 C ATOM 469 O ASN A 33 7.508 8.709 -4.711 1.00 0.00 O ATOM 470 CB ASN A 33 6.968 11.815 -3.237 1.00 0.00 C ATOM 471 CG ASN A 33 8.081 12.729 -3.711 1.00 0.00 C ATOM 472 OD1 ASN A 33 8.851 12.377 -4.606 1.00 0.00 O ATOM 473 ND2 ASN A 33 8.172 13.911 -3.112 1.00 0.00 N ATOM 0 H ASN A 33 4.493 10.819 -3.718 1.00 0.00 H new ATOM 0 HA ASN A 33 7.001 11.095 -5.264 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.125 12.418 -2.900 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.314 11.242 -2.377 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.901 14.568 -3.389 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.513 14.161 -2.375 1.00 0.00 H new ATOM 480 N GLY A 34 6.424 9.004 -2.762 1.00 0.00 N ATOM 481 CA GLY A 34 6.712 7.657 -2.299 1.00 0.00 C ATOM 482 C GLY A 34 6.008 7.325 -0.999 1.00 0.00 C ATOM 483 O GLY A 34 5.428 8.200 -0.357 1.00 0.00 O ATOM 0 H GLY A 34 5.882 9.574 -2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.411 6.942 -3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.788 7.545 -2.164 1.00 0.00 H new ATOM 487 N ILE A 35 6.065 6.055 -0.604 1.00 0.00 N ATOM 488 CA ILE A 35 5.438 5.612 0.630 1.00 0.00 C ATOM 489 C ILE A 35 6.492 5.356 1.691 1.00 0.00 C ATOM 490 O ILE A 35 7.103 4.288 1.740 1.00 0.00 O ATOM 491 CB ILE A 35 4.616 4.330 0.432 1.00 0.00 C ATOM 492 CG1 ILE A 35 3.915 4.348 -0.922 1.00 0.00 C ATOM 493 CG2 ILE A 35 3.604 4.173 1.556 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.003 3.162 -1.150 1.00 0.00 C ATOM 0 H ILE A 35 6.540 5.317 -1.124 1.00 0.00 H new ATOM 0 HA ILE A 35 4.765 6.408 0.948 1.00 0.00 H new ATOM 0 HB ILE A 35 5.293 3.476 0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.332 5.265 -1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.667 4.374 -1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.029 3.260 1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.127 4.116 2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.930 5.030 1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.539 3.243 -2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.584 2.241 -1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.228 3.146 -0.384 1.00 0.00 H new ATOM 506 N SER A 36 6.703 6.344 2.542 1.00 0.00 N ATOM 507 CA SER A 36 7.693 6.238 3.610 1.00 0.00 C ATOM 508 C SER A 36 7.300 5.151 4.588 1.00 0.00 C ATOM 509 O SER A 36 8.159 4.492 5.174 1.00 0.00 O ATOM 510 CB SER A 36 7.857 7.575 4.335 1.00 0.00 C ATOM 511 OG SER A 36 6.776 7.809 5.222 1.00 0.00 O ATOM 0 H SER A 36 6.203 7.233 2.518 1.00 0.00 H new ATOM 0 HA SER A 36 8.651 5.974 3.162 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.795 7.579 4.890 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.915 8.383 3.606 1.00 0.00 H new ATOM 0 HG SER A 36 6.905 8.669 5.675 1.00 0.00 H new ATOM 517 N GLU A 37 6.003 4.933 4.736 1.00 0.00 N ATOM 518 CA GLU A 37 5.522 3.889 5.610 1.00 0.00 C ATOM 519 C GLU A 37 6.231 2.595 5.240 1.00 0.00 C ATOM 520 O GLU A 37 6.430 1.710 6.071 1.00 0.00 O ATOM 521 CB GLU A 37 4.015 3.744 5.449 1.00 0.00 C ATOM 522 CG GLU A 37 3.287 3.421 6.740 1.00 0.00 C ATOM 523 CD GLU A 37 1.931 4.088 6.810 1.00 0.00 C ATOM 524 OE1 GLU A 37 1.370 4.403 5.739 1.00 0.00 O ATOM 525 OE2 GLU A 37 1.429 4.298 7.935 1.00 0.00 O ATOM 0 H GLU A 37 5.272 5.465 4.263 1.00 0.00 H new ATOM 0 HA GLU A 37 5.730 4.132 6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.613 4.670 5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.811 2.958 4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.164 2.341 6.826 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.893 3.742 7.587 1.00 0.00 H new ATOM 532 N LEU A 38 6.630 2.522 3.972 1.00 0.00 N ATOM 533 CA LEU A 38 7.345 1.383 3.440 1.00 0.00 C ATOM 534 C LEU A 38 8.311 1.841 2.350 1.00 0.00 C ATOM 535 O LEU A 38 7.928 1.989 1.188 1.00 0.00 O ATOM 536 CB LEU A 38 6.369 0.347 2.886 1.00 0.00 C ATOM 537 CG LEU A 38 5.061 0.910 2.332 1.00 0.00 C ATOM 538 CD1 LEU A 38 4.979 0.681 0.830 1.00 0.00 C ATOM 539 CD2 LEU A 38 3.872 0.275 3.038 1.00 0.00 C ATOM 0 H LEU A 38 6.461 3.260 3.288 1.00 0.00 H new ATOM 0 HA LEU A 38 7.914 0.918 4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.869 -0.211 2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.132 -0.364 3.677 1.00 0.00 H new ATOM 0 HG LEU A 38 5.037 1.984 2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.042 1.088 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.815 1.179 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.021 -0.388 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.947 0.685 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.889 -0.804 2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.927 0.488 4.106 1.00 0.00 H new ATOM 551 N GLN A 39 9.556 2.087 2.754 1.00 0.00 N ATOM 552 CA GLN A 39 10.602 2.557 1.874 1.00 0.00 C ATOM 553 C GLN A 39 10.414 2.032 0.474 1.00 0.00 C ATOM 554 O GLN A 39 10.843 0.937 0.117 1.00 0.00 O ATOM 555 CB GLN A 39 11.974 2.144 2.405 1.00 0.00 C ATOM 556 CG GLN A 39 13.130 2.624 1.545 1.00 0.00 C ATOM 557 CD GLN A 39 14.132 3.454 2.324 1.00 0.00 C ATOM 558 OE1 GLN A 39 14.592 4.494 1.854 1.00 0.00 O ATOM 559 NE2 GLN A 39 14.472 2.997 3.524 1.00 0.00 N ATOM 0 H GLN A 39 9.862 1.961 3.719 1.00 0.00 H new ATOM 0 HA GLN A 39 10.545 3.645 1.843 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.096 2.536 3.415 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.014 1.057 2.478 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.637 1.762 1.111 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.740 3.215 0.716 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.065 2.129 3.873 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.140 3.514 4.096 1.00 0.00 H new ATOM 568 N SER A 40 9.743 2.878 -0.266 1.00 0.00 N ATOM 569 CA SER A 40 9.384 2.681 -1.679 1.00 0.00 C ATOM 570 C SER A 40 9.930 1.387 -2.262 1.00 0.00 C ATOM 571 O SER A 40 9.233 0.687 -2.989 1.00 0.00 O ATOM 572 CB SER A 40 9.878 3.866 -2.512 1.00 0.00 C ATOM 573 OG SER A 40 8.893 4.278 -3.445 1.00 0.00 O ATOM 0 H SER A 40 9.409 3.769 0.102 1.00 0.00 H new ATOM 0 HA SER A 40 8.297 2.614 -1.718 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.131 4.697 -1.854 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.790 3.589 -3.040 1.00 0.00 H new ATOM 0 HG SER A 40 8.299 3.525 -3.648 1.00 0.00 H new ATOM 579 N SER A 41 11.170 1.076 -1.939 1.00 0.00 N ATOM 580 CA SER A 41 11.796 -0.142 -2.433 1.00 0.00 C ATOM 581 C SER A 41 10.876 -1.344 -2.202 1.00 0.00 C ATOM 582 O SER A 41 10.972 -2.358 -2.895 1.00 0.00 O ATOM 583 CB SER A 41 13.146 -0.364 -1.745 1.00 0.00 C ATOM 584 OG SER A 41 13.300 -1.712 -1.336 1.00 0.00 O ATOM 0 H SER A 41 11.766 1.646 -1.338 1.00 0.00 H new ATOM 0 HA SER A 41 11.966 -0.036 -3.504 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.953 -0.094 -2.427 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.227 0.293 -0.879 1.00 0.00 H new ATOM 0 HG SER A 41 12.800 -1.861 -0.506 1.00 0.00 H new ATOM 590 N GLN A 42 9.984 -1.216 -1.219 1.00 0.00 N ATOM 591 CA GLN A 42 9.043 -2.263 -0.878 1.00 0.00 C ATOM 592 C GLN A 42 8.133 -2.597 -2.059 1.00 0.00 C ATOM 593 O GLN A 42 7.661 -3.728 -2.212 1.00 0.00 O ATOM 594 CB GLN A 42 8.212 -1.799 0.310 1.00 0.00 C ATOM 595 CG GLN A 42 9.011 -1.056 1.372 1.00 0.00 C ATOM 596 CD GLN A 42 10.403 -1.629 1.576 1.00 0.00 C ATOM 597 OE1 GLN A 42 11.340 -1.294 0.850 1.00 0.00 O ATOM 598 NE2 GLN A 42 10.544 -2.494 2.571 1.00 0.00 N ATOM 0 H GLN A 42 9.900 -0.380 -0.641 1.00 0.00 H new ATOM 0 HA GLN A 42 9.593 -3.169 -0.623 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.413 -1.150 -0.050 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.736 -2.666 0.768 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.094 -0.007 1.089 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.468 -1.089 2.317 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.741 -2.743 3.148 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.456 -2.910 2.760 1.00 0.00 H new ATOM 607 N TYR A 43 7.892 -1.595 -2.885 1.00 0.00 N ATOM 608 CA TYR A 43 7.044 -1.746 -4.059 1.00 0.00 C ATOM 609 C TYR A 43 7.782 -1.331 -5.324 1.00 0.00 C ATOM 610 O TYR A 43 8.994 -1.124 -5.322 1.00 0.00 O ATOM 611 CB TYR A 43 5.755 -0.937 -3.897 1.00 0.00 C ATOM 612 CG TYR A 43 5.973 0.521 -3.587 1.00 0.00 C ATOM 613 CD1 TYR A 43 6.320 1.419 -4.587 1.00 0.00 C ATOM 614 CD2 TYR A 43 5.821 1.003 -2.294 1.00 0.00 C ATOM 615 CE1 TYR A 43 6.509 2.758 -4.305 1.00 0.00 C ATOM 616 CE2 TYR A 43 6.008 2.341 -2.008 1.00 0.00 C ATOM 617 CZ TYR A 43 6.353 3.213 -3.017 1.00 0.00 C ATOM 618 OH TYR A 43 6.542 4.547 -2.735 1.00 0.00 O ATOM 0 H TYR A 43 8.275 -0.657 -2.764 1.00 0.00 H new ATOM 0 HA TYR A 43 6.782 -2.800 -4.153 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.171 -1.018 -4.814 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.159 -1.381 -3.100 1.00 0.00 H new ATOM 0 HD1 TYR A 43 6.444 1.066 -5.600 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.553 0.322 -1.500 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.778 3.445 -5.094 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.884 2.702 -0.998 1.00 0.00 H new ATOM 0 HH TYR A 43 7.429 4.824 -3.045 1.00 0.00 H new ATOM 628 N THR A 44 7.024 -1.225 -6.398 1.00 0.00 N ATOM 629 CA THR A 44 7.546 -0.845 -7.694 1.00 0.00 C ATOM 630 C THR A 44 6.837 0.395 -8.185 1.00 0.00 C ATOM 631 O THR A 44 5.823 0.323 -8.882 1.00 0.00 O ATOM 632 CB THR A 44 7.369 -1.986 -8.698 1.00 0.00 C ATOM 633 OG1 THR A 44 7.251 -3.228 -8.029 1.00 0.00 O ATOM 634 CG2 THR A 44 8.511 -2.100 -9.682 1.00 0.00 C ATOM 0 H THR A 44 6.019 -1.402 -6.394 1.00 0.00 H new ATOM 0 HA THR A 44 8.611 -0.634 -7.597 1.00 0.00 H new ATOM 0 HB THR A 44 6.460 -1.747 -9.250 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.434 -3.232 -7.488 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.322 -2.928 -10.365 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.596 -1.174 -10.250 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.440 -2.280 -9.142 1.00 0.00 H new ATOM 642 N LYS A 45 7.372 1.534 -7.793 1.00 0.00 N ATOM 643 CA LYS A 45 6.803 2.824 -8.162 1.00 0.00 C ATOM 644 C LYS A 45 6.976 3.086 -9.654 1.00 0.00 C ATOM 645 O LYS A 45 7.823 2.480 -10.311 1.00 0.00 O ATOM 646 CB LYS A 45 7.453 3.971 -7.374 1.00 0.00 C ATOM 647 CG LYS A 45 8.643 3.563 -6.514 1.00 0.00 C ATOM 648 CD LYS A 45 9.843 3.185 -7.365 1.00 0.00 C ATOM 649 CE LYS A 45 10.707 4.394 -7.682 1.00 0.00 C ATOM 650 NZ LYS A 45 12.155 4.116 -7.471 1.00 0.00 N ATOM 0 H LYS A 45 8.209 1.597 -7.213 1.00 0.00 H new ATOM 0 HA LYS A 45 5.741 2.786 -7.919 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.777 4.738 -8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.698 4.426 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.911 4.384 -5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.364 2.720 -5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.440 2.438 -6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.502 2.727 -8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.543 4.696 -8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.403 5.231 -7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.709 4.967 -7.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.317 3.853 -6.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.452 3.334 -8.089 1.00 0.00 H new ATOM 664 N GLY A 46 6.165 3.996 -10.174 1.00 0.00 N ATOM 665 CA GLY A 46 6.229 4.338 -11.578 1.00 0.00 C ATOM 666 C GLY A 46 5.398 5.562 -11.903 1.00 0.00 C ATOM 667 O GLY A 46 4.286 5.443 -12.419 1.00 0.00 O ATOM 0 H GLY A 46 5.459 4.506 -9.643 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.266 4.519 -11.860 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.879 3.494 -12.173 1.00 0.00 H new ATOM 671 N THR A 47 5.946 6.741 -11.593 1.00 0.00 N ATOM 672 CA THR A 47 5.267 8.019 -11.841 1.00 0.00 C ATOM 673 C THR A 47 3.779 7.830 -12.114 1.00 0.00 C ATOM 674 O THR A 47 3.380 7.496 -13.230 1.00 0.00 O ATOM 675 CB THR A 47 5.924 8.739 -13.021 1.00 0.00 C ATOM 676 OG1 THR A 47 7.290 8.998 -12.754 1.00 0.00 O ATOM 677 CG2 THR A 47 5.263 10.059 -13.357 1.00 0.00 C ATOM 0 H THR A 47 6.867 6.838 -11.166 1.00 0.00 H new ATOM 0 HA THR A 47 5.364 8.624 -10.939 1.00 0.00 H new ATOM 0 HB THR A 47 5.810 8.066 -13.871 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.692 9.457 -13.521 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.776 10.518 -14.202 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.218 9.887 -13.617 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.318 10.723 -12.495 1.00 0.00 H new ATOM 685 N ASN A 48 2.962 8.046 -11.088 1.00 0.00 N ATOM 686 CA ASN A 48 1.512 7.900 -11.207 1.00 0.00 C ATOM 687 C ASN A 48 1.090 6.445 -11.022 1.00 0.00 C ATOM 688 O ASN A 48 -0.096 6.136 -11.018 1.00 0.00 O ATOM 689 CB ASN A 48 1.025 8.418 -12.564 1.00 0.00 C ATOM 690 CG ASN A 48 1.737 9.689 -12.990 1.00 0.00 C ATOM 691 OD1 ASN A 48 2.347 10.376 -12.171 1.00 0.00 O ATOM 692 ND2 ASN A 48 1.660 10.007 -14.278 1.00 0.00 N ATOM 0 H ASN A 48 3.280 8.324 -10.160 1.00 0.00 H new ATOM 0 HA ASN A 48 1.053 8.495 -10.418 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.179 7.648 -13.320 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.048 8.605 -12.514 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.118 10.851 -14.623 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.143 9.408 -14.921 1.00 0.00 H new ATOM 699 N GLU A 49 2.067 5.555 -10.867 1.00 0.00 N ATOM 700 CA GLU A 49 1.784 4.137 -10.680 1.00 0.00 C ATOM 701 C GLU A 49 2.731 3.517 -9.659 1.00 0.00 C ATOM 702 O GLU A 49 3.794 4.062 -9.368 1.00 0.00 O ATOM 703 CB GLU A 49 1.898 3.388 -12.008 1.00 0.00 C ATOM 704 CG GLU A 49 0.677 3.538 -12.898 1.00 0.00 C ATOM 705 CD GLU A 49 1.009 3.405 -14.371 1.00 0.00 C ATOM 706 OE1 GLU A 49 1.065 2.259 -14.866 1.00 0.00 O ATOM 707 OE2 GLU A 49 1.217 4.445 -15.030 1.00 0.00 O ATOM 0 H GLU A 49 3.059 5.791 -10.867 1.00 0.00 H new ATOM 0 HA GLU A 49 0.764 4.050 -10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.775 3.749 -12.545 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.062 2.330 -11.806 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.061 2.783 -12.626 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.219 4.511 -12.719 1.00 0.00 H new ATOM 714 N VAL A 50 2.333 2.372 -9.119 1.00 0.00 N ATOM 715 CA VAL A 50 3.132 1.660 -8.131 1.00 0.00 C ATOM 716 C VAL A 50 2.673 0.211 -8.022 1.00 0.00 C ATOM 717 O VAL A 50 1.508 -0.088 -8.266 1.00 0.00 O ATOM 718 CB VAL A 50 3.031 2.335 -6.755 1.00 0.00 C ATOM 719 CG1 VAL A 50 1.584 2.662 -6.430 1.00 0.00 C ATOM 720 CG2 VAL A 50 3.648 1.462 -5.671 1.00 0.00 C ATOM 0 H VAL A 50 1.452 1.913 -9.352 1.00 0.00 H new ATOM 0 HA VAL A 50 4.171 1.686 -8.459 1.00 0.00 H new ATOM 0 HB VAL A 50 3.594 3.267 -6.790 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.530 3.140 -5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.185 3.338 -7.186 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.997 1.743 -6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.563 1.964 -4.707 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.124 0.507 -5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.700 1.289 -5.898 1.00 0.00 H new ATOM 730 N THR A 51 3.590 -0.680 -7.668 1.00 0.00 N ATOM 731 CA THR A 51 3.242 -2.093 -7.552 1.00 0.00 C ATOM 732 C THR A 51 3.858 -2.751 -6.315 1.00 0.00 C ATOM 733 O THR A 51 5.075 -2.811 -6.169 1.00 0.00 O ATOM 734 CB THR A 51 3.691 -2.842 -8.808 1.00 0.00 C ATOM 735 OG1 THR A 51 2.981 -2.379 -9.945 1.00 0.00 O ATOM 736 CG2 THR A 51 3.489 -4.339 -8.719 1.00 0.00 C ATOM 0 H THR A 51 4.563 -0.457 -7.459 1.00 0.00 H new ATOM 0 HA THR A 51 2.159 -2.149 -7.445 1.00 0.00 H new ATOM 0 HB THR A 51 4.759 -2.643 -8.898 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.282 -2.867 -10.740 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.828 -4.807 -9.643 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.062 -4.734 -7.880 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.431 -4.555 -8.570 1.00 0.00 H new ATOM 744 N LEU A 52 2.999 -3.271 -5.445 1.00 0.00 N ATOM 745 CA LEU A 52 3.437 -3.952 -4.237 1.00 0.00 C ATOM 746 C LEU A 52 4.119 -5.255 -4.607 1.00 0.00 C ATOM 747 O LEU A 52 3.590 -6.022 -5.410 1.00 0.00 O ATOM 748 CB LEU A 52 2.232 -4.260 -3.352 1.00 0.00 C ATOM 749 CG LEU A 52 1.611 -3.056 -2.659 1.00 0.00 C ATOM 750 CD1 LEU A 52 0.999 -2.103 -3.674 1.00 0.00 C ATOM 751 CD2 LEU A 52 0.569 -3.499 -1.646 1.00 0.00 C ATOM 0 H LEU A 52 1.986 -3.232 -5.558 1.00 0.00 H new ATOM 0 HA LEU A 52 4.133 -3.308 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.468 -4.742 -3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.535 -4.980 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 52 2.402 -2.526 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.561 -1.250 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.773 -1.754 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.224 -2.621 -4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.137 -2.623 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.217 -4.058 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.039 -4.134 -0.895 1.00 0.00 H new ATOM 763 N LEU A 53 5.290 -5.511 -4.040 1.00 0.00 N ATOM 764 CA LEU A 53 5.995 -6.735 -4.363 1.00 0.00 C ATOM 765 C LEU A 53 5.841 -7.784 -3.265 1.00 0.00 C ATOM 766 O LEU A 53 6.413 -7.667 -2.184 1.00 0.00 O ATOM 767 CB LEU A 53 7.476 -6.454 -4.626 1.00 0.00 C ATOM 768 CG LEU A 53 7.753 -5.377 -5.676 1.00 0.00 C ATOM 769 CD1 LEU A 53 9.037 -4.630 -5.347 1.00 0.00 C ATOM 770 CD2 LEU A 53 7.835 -5.994 -7.063 1.00 0.00 C ATOM 0 H LEU A 53 5.760 -4.902 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 53 5.546 -7.137 -5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.946 -6.156 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.956 -7.380 -4.942 1.00 0.00 H new ATOM 0 HG LEU A 53 6.928 -4.665 -5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.219 -3.868 -6.104 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.942 -4.156 -4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.872 -5.331 -5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.033 -5.213 -7.797 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.641 -6.728 -7.088 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.891 -6.484 -7.300 1.00 0.00 H new ATOM 782 N ALA A 54 5.066 -8.819 -3.570 1.00 0.00 N ATOM 783 CA ALA A 54 4.806 -9.915 -2.640 1.00 0.00 C ATOM 784 C ALA A 54 6.027 -10.295 -1.802 1.00 0.00 C ATOM 785 O ALA A 54 5.886 -10.939 -0.763 1.00 0.00 O ATOM 786 CB ALA A 54 4.302 -11.131 -3.403 1.00 0.00 C ATOM 0 H ALA A 54 4.599 -8.923 -4.471 1.00 0.00 H new ATOM 0 HA ALA A 54 4.044 -9.564 -1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.110 -11.945 -2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.380 -10.876 -3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.055 -11.444 -4.127 1.00 0.00 H new ATOM 792 N SER A 55 7.215 -9.909 -2.243 1.00 0.00 N ATOM 793 CA SER A 55 8.430 -10.230 -1.506 1.00 0.00 C ATOM 794 C SER A 55 8.495 -9.434 -0.215 1.00 0.00 C ATOM 795 O SER A 55 8.730 -9.985 0.856 1.00 0.00 O ATOM 796 CB SER A 55 9.670 -9.959 -2.360 1.00 0.00 C ATOM 797 OG SER A 55 10.485 -11.114 -2.457 1.00 0.00 O ATOM 0 H SER A 55 7.364 -9.377 -3.101 1.00 0.00 H new ATOM 0 HA SER A 55 8.408 -11.292 -1.260 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.366 -9.640 -3.357 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.244 -9.141 -1.924 1.00 0.00 H new ATOM 0 HG SER A 55 11.270 -10.915 -3.009 1.00 0.00 H new ATOM 803 N TYR A 56 8.266 -8.135 -0.327 1.00 0.00 N ATOM 804 CA TYR A 56 8.275 -7.258 0.822 1.00 0.00 C ATOM 805 C TYR A 56 7.067 -7.553 1.687 1.00 0.00 C ATOM 806 O TYR A 56 7.175 -7.931 2.855 1.00 0.00 O ATOM 807 CB TYR A 56 8.231 -5.808 0.351 1.00 0.00 C ATOM 808 CG TYR A 56 7.514 -4.874 1.301 1.00 0.00 C ATOM 809 CD1 TYR A 56 8.141 -4.397 2.444 1.00 0.00 C ATOM 810 CD2 TYR A 56 6.207 -4.475 1.051 1.00 0.00 C ATOM 811 CE1 TYR A 56 7.483 -3.546 3.312 1.00 0.00 C ATOM 812 CE2 TYR A 56 5.544 -3.628 1.913 1.00 0.00 C ATOM 813 CZ TYR A 56 6.185 -3.167 3.042 1.00 0.00 C ATOM 814 OH TYR A 56 5.528 -2.322 3.905 1.00 0.00 O ATOM 0 H TYR A 56 8.071 -7.667 -1.212 1.00 0.00 H new ATOM 0 HA TYR A 56 9.183 -7.421 1.403 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.251 -5.452 0.209 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.741 -5.767 -0.622 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.157 -4.695 2.658 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.702 -4.834 0.167 1.00 0.00 H new ATOM 0 HE1 TYR A 56 7.983 -3.180 4.197 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.528 -3.327 1.705 1.00 0.00 H new ATOM 0 HH TYR A 56 4.560 -2.422 3.788 1.00 0.00 H new ATOM 824 N LEU A 57 5.910 -7.370 1.078 1.00 0.00 N ATOM 825 CA LEU A 57 4.641 -7.608 1.743 1.00 0.00 C ATOM 826 C LEU A 57 4.667 -8.930 2.498 1.00 0.00 C ATOM 827 O LEU A 57 4.226 -9.011 3.645 1.00 0.00 O ATOM 828 CB LEU A 57 3.504 -7.607 0.719 1.00 0.00 C ATOM 829 CG LEU A 57 2.272 -6.785 1.108 1.00 0.00 C ATOM 830 CD1 LEU A 57 2.675 -5.506 1.826 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.446 -6.458 -0.124 1.00 0.00 C ATOM 0 H LEU A 57 5.823 -7.053 0.112 1.00 0.00 H new ATOM 0 HA LEU A 57 4.473 -6.806 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.890 -7.227 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.193 -8.637 0.546 1.00 0.00 H new ATOM 0 HG LEU A 57 1.667 -7.382 1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.782 -4.941 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.228 -5.756 2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.304 -4.904 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.573 -5.873 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.050 -5.883 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.120 -7.383 -0.600 1.00 0.00 H new ATOM 843 N ASN A 58 5.195 -9.966 1.854 1.00 0.00 N ATOM 844 CA ASN A 58 5.282 -11.275 2.479 1.00 0.00 C ATOM 845 C ASN A 58 6.237 -11.237 3.669 1.00 0.00 C ATOM 846 O ASN A 58 6.110 -12.025 4.607 1.00 0.00 O ATOM 847 CB ASN A 58 5.746 -12.327 1.467 1.00 0.00 C ATOM 848 CG ASN A 58 6.039 -13.668 2.112 1.00 0.00 C ATOM 849 OD1 ASN A 58 6.921 -14.403 1.668 1.00 0.00 O ATOM 850 ND2 ASN A 58 5.297 -13.996 3.165 1.00 0.00 N ATOM 0 H ASN A 58 5.566 -9.922 0.905 1.00 0.00 H new ATOM 0 HA ASN A 58 4.289 -11.548 2.835 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.978 -12.455 0.704 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.642 -11.968 0.961 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.448 -14.887 3.638 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.576 -13.357 3.500 1.00 0.00 H new ATOM 857 N THR A 59 7.197 -10.320 3.615 1.00 0.00 N ATOM 858 CA THR A 59 8.183 -10.177 4.679 1.00 0.00 C ATOM 859 C THR A 59 7.621 -9.393 5.856 1.00 0.00 C ATOM 860 O THR A 59 8.070 -9.556 6.991 1.00 0.00 O ATOM 861 CB THR A 59 9.443 -9.494 4.149 1.00 0.00 C ATOM 862 OG1 THR A 59 9.895 -10.117 2.960 1.00 0.00 O ATOM 863 CG2 THR A 59 10.590 -9.504 5.137 1.00 0.00 C ATOM 0 H THR A 59 7.313 -9.663 2.843 1.00 0.00 H new ATOM 0 HA THR A 59 8.439 -11.177 5.030 1.00 0.00 H new ATOM 0 HB THR A 59 9.151 -8.460 3.964 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.402 -9.756 2.194 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.453 -9.004 4.698 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.292 -8.982 6.046 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.852 -10.534 5.379 1.00 0.00 H new ATOM 871 N LEU A 60 6.640 -8.539 5.582 1.00 0.00 N ATOM 872 CA LEU A 60 6.020 -7.722 6.626 1.00 0.00 C ATOM 873 C LEU A 60 5.863 -8.513 7.925 1.00 0.00 C ATOM 874 O LEU A 60 5.827 -9.743 7.915 1.00 0.00 O ATOM 875 CB LEU A 60 4.658 -7.206 6.161 1.00 0.00 C ATOM 876 CG LEU A 60 4.703 -5.969 5.260 1.00 0.00 C ATOM 877 CD1 LEU A 60 3.336 -5.306 5.199 1.00 0.00 C ATOM 878 CD2 LEU A 60 5.752 -4.981 5.752 1.00 0.00 C ATOM 0 H LEU A 60 6.256 -8.393 4.648 1.00 0.00 H new ATOM 0 HA LEU A 60 6.676 -6.873 6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.147 -8.007 5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.056 -6.974 7.039 1.00 0.00 H new ATOM 0 HG LEU A 60 4.979 -6.288 4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.386 -4.428 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.608 -6.010 4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.033 -5.003 6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.767 -4.110 5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.509 -4.668 6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.732 -5.457 5.744 1.00 0.00 H new ATOM 890 N PRO A 61 5.778 -7.807 9.063 1.00 0.00 N ATOM 891 CA PRO A 61 5.639 -8.434 10.383 1.00 0.00 C ATOM 892 C PRO A 61 4.415 -9.337 10.492 1.00 0.00 C ATOM 893 O PRO A 61 3.705 -9.569 9.514 1.00 0.00 O ATOM 894 CB PRO A 61 5.504 -7.249 11.347 1.00 0.00 C ATOM 895 CG PRO A 61 5.196 -6.068 10.490 1.00 0.00 C ATOM 896 CD PRO A 61 5.826 -6.342 9.157 1.00 0.00 C ATOM 0 HA PRO A 61 6.489 -9.083 10.596 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.711 -7.423 12.074 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.424 -7.095 11.910 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.119 -5.930 10.391 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.596 -5.154 10.929 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.275 -5.867 8.345 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.849 -5.968 9.110 1.00 0.00 H new ATOM 904 N GLU A 62 4.188 -9.841 11.702 1.00 0.00 N ATOM 905 CA GLU A 62 3.060 -10.726 11.976 1.00 0.00 C ATOM 906 C GLU A 62 1.744 -9.978 11.922 1.00 0.00 C ATOM 907 O GLU A 62 1.664 -8.873 11.395 1.00 0.00 O ATOM 908 CB GLU A 62 3.233 -11.387 13.346 1.00 0.00 C ATOM 909 CG GLU A 62 3.031 -10.429 14.511 1.00 0.00 C ATOM 910 CD GLU A 62 4.247 -10.349 15.413 1.00 0.00 C ATOM 911 OE1 GLU A 62 4.610 -11.382 16.014 1.00 0.00 O ATOM 912 OE2 GLU A 62 4.835 -9.252 15.518 1.00 0.00 O ATOM 0 H GLU A 62 4.775 -9.650 12.514 1.00 0.00 H new ATOM 0 HA GLU A 62 3.041 -11.495 11.204 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.524 -12.210 13.436 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.232 -11.818 13.409 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.803 -9.436 14.125 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.169 -10.750 15.096 1.00 0.00 H new ATOM 919 N ASN A 63 0.711 -10.621 12.457 1.00 0.00 N ATOM 920 CA ASN A 63 -0.627 -10.080 12.475 1.00 0.00 C ATOM 921 C ASN A 63 -0.637 -8.578 12.743 1.00 0.00 C ATOM 922 O ASN A 63 -1.045 -8.129 13.816 1.00 0.00 O ATOM 923 CB ASN A 63 -1.468 -10.800 13.533 1.00 0.00 C ATOM 924 CG ASN A 63 -0.981 -10.530 14.943 1.00 0.00 C ATOM 925 OD1 ASN A 63 0.041 -11.059 15.369 1.00 0.00 O ATOM 926 ND2 ASN A 63 -1.718 -9.703 15.675 1.00 0.00 N ATOM 0 H ASN A 63 0.789 -11.540 12.892 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.057 -10.241 11.486 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.507 -10.483 13.444 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.444 -11.873 13.343 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.441 -9.485 16.632 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.561 -9.286 15.280 1.00 0.00 H new ATOM 933 N THR A 64 -0.187 -7.811 11.760 1.00 0.00 N ATOM 934 CA THR A 64 -0.143 -6.359 11.876 1.00 0.00 C ATOM 935 C THR A 64 -0.893 -5.710 10.721 1.00 0.00 C ATOM 936 O THR A 64 -1.201 -6.362 9.727 1.00 0.00 O ATOM 937 CB THR A 64 1.302 -5.870 11.901 1.00 0.00 C ATOM 938 OG1 THR A 64 2.004 -6.330 10.758 1.00 0.00 O ATOM 939 CG2 THR A 64 2.066 -6.326 13.123 1.00 0.00 C ATOM 0 H THR A 64 0.154 -8.172 10.869 1.00 0.00 H new ATOM 0 HA THR A 64 -0.626 -6.075 12.811 1.00 0.00 H new ATOM 0 HB THR A 64 1.241 -4.782 11.917 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.079 -7.307 10.791 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.086 -5.944 13.078 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.576 -5.948 14.020 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.088 -7.415 13.153 1.00 0.00 H new ATOM 947 N THR A 65 -1.184 -4.423 10.859 1.00 0.00 N ATOM 948 CA THR A 65 -1.900 -3.690 9.825 1.00 0.00 C ATOM 949 C THR A 65 -1.063 -2.531 9.301 1.00 0.00 C ATOM 950 O THR A 65 -1.226 -1.390 9.732 1.00 0.00 O ATOM 951 CB THR A 65 -3.213 -3.154 10.374 1.00 0.00 C ATOM 952 OG1 THR A 65 -3.680 -3.957 11.441 1.00 0.00 O ATOM 953 CG2 THR A 65 -4.314 -3.075 9.339 1.00 0.00 C ATOM 0 H THR A 65 -0.935 -3.866 11.677 1.00 0.00 H new ATOM 0 HA THR A 65 -2.101 -4.379 9.004 1.00 0.00 H new ATOM 0 HB THR A 65 -2.987 -2.143 10.713 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.524 -3.593 11.779 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.221 -2.684 9.801 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.005 -2.414 8.529 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.510 -4.070 8.940 1.00 0.00 H new ATOM 961 N LYS A 66 -0.175 -2.830 8.364 1.00 0.00 N ATOM 962 CA LYS A 66 0.672 -1.820 7.776 1.00 0.00 C ATOM 963 C LYS A 66 -0.144 -0.827 6.977 1.00 0.00 C ATOM 964 O LYS A 66 -1.348 -1.004 6.790 1.00 0.00 O ATOM 965 CB LYS A 66 1.720 -2.478 6.892 1.00 0.00 C ATOM 966 CG LYS A 66 3.133 -2.049 7.221 1.00 0.00 C ATOM 967 CD LYS A 66 3.921 -1.794 5.958 1.00 0.00 C ATOM 968 CE LYS A 66 5.234 -1.084 6.246 1.00 0.00 C ATOM 969 NZ LYS A 66 6.386 -2.028 6.269 1.00 0.00 N ATOM 0 H LYS A 66 -0.027 -3.770 7.998 1.00 0.00 H new ATOM 0 HA LYS A 66 1.171 -1.276 8.578 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.643 -3.561 6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.508 -2.239 5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.112 -1.146 7.831 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.624 -2.821 7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.122 -2.741 5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.325 -1.192 5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.407 -0.320 5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.166 -0.572 7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.250 -1.515 6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.204 -2.782 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.510 -2.448 5.326 1.00 0.00 H new ATOM 983 N THR A 67 0.506 0.219 6.514 1.00 0.00 N ATOM 984 CA THR A 67 -0.167 1.244 5.738 1.00 0.00 C ATOM 985 C THR A 67 0.739 1.826 4.667 1.00 0.00 C ATOM 986 O THR A 67 1.889 2.171 4.932 1.00 0.00 O ATOM 987 CB THR A 67 -0.669 2.345 6.671 1.00 0.00 C ATOM 988 OG1 THR A 67 -1.728 1.869 7.481 1.00 0.00 O ATOM 989 CG2 THR A 67 -1.165 3.582 5.949 1.00 0.00 C ATOM 0 H THR A 67 1.502 0.384 6.661 1.00 0.00 H new ATOM 0 HA THR A 67 -1.014 0.784 5.229 1.00 0.00 H new ATOM 0 HB THR A 67 0.198 2.625 7.269 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.035 2.587 8.073 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.504 4.317 6.678 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.355 4.006 5.356 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.993 3.313 5.293 1.00 0.00 H new ATOM 997 N LEU A 68 0.206 1.942 3.459 1.00 0.00 N ATOM 998 CA LEU A 68 0.934 2.493 2.338 1.00 0.00 C ATOM 999 C LEU A 68 0.601 3.971 2.192 1.00 0.00 C ATOM 1000 O LEU A 68 -0.165 4.359 1.315 1.00 0.00 O ATOM 1001 CB LEU A 68 0.561 1.744 1.060 1.00 0.00 C ATOM 1002 CG LEU A 68 1.589 0.718 0.577 1.00 0.00 C ATOM 1003 CD1 LEU A 68 1.302 -0.642 1.186 1.00 0.00 C ATOM 1004 CD2 LEU A 68 1.581 0.633 -0.938 1.00 0.00 C ATOM 0 H LEU A 68 -0.746 1.654 3.234 1.00 0.00 H new ATOM 0 HA LEU A 68 2.004 2.383 2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.388 1.233 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.399 2.473 0.266 1.00 0.00 H new ATOM 0 HG LEU A 68 2.579 1.040 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.041 -1.362 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.353 -0.572 2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.306 -0.970 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.318 -0.101 -1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.591 0.331 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.829 1.608 -1.358 1.00 0.00 H new ATOM 1016 N THR A 69 1.176 4.787 3.069 1.00 0.00 N ATOM 1017 CA THR A 69 0.929 6.219 3.041 1.00 0.00 C ATOM 1018 C THR A 69 1.580 6.844 1.816 1.00 0.00 C ATOM 1019 O THR A 69 2.736 7.268 1.863 1.00 0.00 O ATOM 1020 CB THR A 69 1.462 6.865 4.329 1.00 0.00 C ATOM 1021 OG1 THR A 69 0.564 6.646 5.403 1.00 0.00 O ATOM 1022 CG2 THR A 69 1.690 8.363 4.230 1.00 0.00 C ATOM 0 H THR A 69 1.813 4.480 3.804 1.00 0.00 H new ATOM 0 HA THR A 69 -0.145 6.394 2.981 1.00 0.00 H new ATOM 0 HB THR A 69 2.427 6.387 4.498 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.642 5.719 5.711 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.066 8.738 5.182 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.418 8.569 3.446 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.749 8.859 3.991 1.00 0.00 H new ATOM 1030 N PHE A 70 0.836 6.895 0.718 1.00 0.00 N ATOM 1031 CA PHE A 70 1.350 7.465 -0.511 1.00 0.00 C ATOM 1032 C PHE A 70 1.506 8.976 -0.372 1.00 0.00 C ATOM 1033 O PHE A 70 0.524 9.716 -0.364 1.00 0.00 O ATOM 1034 CB PHE A 70 0.400 7.139 -1.666 1.00 0.00 C ATOM 1035 CG PHE A 70 0.487 5.715 -2.146 1.00 0.00 C ATOM 1036 CD1 PHE A 70 1.375 5.366 -3.151 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -0.316 4.729 -1.602 1.00 0.00 C ATOM 1038 CE1 PHE A 70 1.457 4.065 -3.605 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -0.238 3.423 -2.051 1.00 0.00 C ATOM 1040 CZ PHE A 70 0.647 3.092 -3.056 1.00 0.00 C ATOM 0 H PHE A 70 -0.122 6.549 0.658 1.00 0.00 H new ATOM 0 HA PHE A 70 2.329 7.034 -0.718 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.623 7.343 -1.350 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.616 7.807 -2.500 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.012 6.123 -3.585 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.013 4.982 -0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.154 3.809 -4.389 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.870 2.663 -1.615 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.706 2.074 -3.412 1.00 0.00 H new ATOM 1050 N ASP A 71 2.749 9.430 -0.251 1.00 0.00 N ATOM 1051 CA ASP A 71 3.018 10.852 -0.099 1.00 0.00 C ATOM 1052 C ASP A 71 2.708 11.607 -1.380 1.00 0.00 C ATOM 1053 O ASP A 71 3.498 11.622 -2.324 1.00 0.00 O ATOM 1054 CB ASP A 71 4.469 11.086 0.296 1.00 0.00 C ATOM 1055 CG ASP A 71 4.798 12.558 0.445 1.00 0.00 C ATOM 1056 OD1 ASP A 71 3.877 13.348 0.737 1.00 0.00 O ATOM 1057 OD2 ASP A 71 5.982 12.920 0.268 1.00 0.00 O ATOM 0 H ASP A 71 3.579 8.838 -0.255 1.00 0.00 H new ATOM 0 HA ASP A 71 2.369 11.227 0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.674 10.574 1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.123 10.645 -0.456 1.00 0.00 H new ATOM 1062 N PHE A 72 1.552 12.242 -1.389 1.00 0.00 N ATOM 1063 CA PHE A 72 1.102 13.023 -2.532 1.00 0.00 C ATOM 1064 C PHE A 72 1.326 14.507 -2.276 1.00 0.00 C ATOM 1065 O PHE A 72 0.600 15.356 -2.791 1.00 0.00 O ATOM 1066 CB PHE A 72 -0.374 12.760 -2.808 1.00 0.00 C ATOM 1067 CG PHE A 72 -0.617 11.887 -4.004 1.00 0.00 C ATOM 1068 CD1 PHE A 72 -0.650 10.507 -3.876 1.00 0.00 C ATOM 1069 CD2 PHE A 72 -0.813 12.444 -5.257 1.00 0.00 C ATOM 1070 CE1 PHE A 72 -0.872 9.702 -4.974 1.00 0.00 C ATOM 1071 CE2 PHE A 72 -1.034 11.645 -6.359 1.00 0.00 C ATOM 1072 CZ PHE A 72 -1.064 10.271 -6.220 1.00 0.00 C ATOM 0 H PHE A 72 0.897 12.233 -0.607 1.00 0.00 H new ATOM 0 HA PHE A 72 1.681 12.723 -3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.821 12.292 -1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.883 13.713 -2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.500 10.057 -2.906 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.792 13.518 -5.372 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.896 8.628 -4.861 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.184 12.093 -7.330 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.237 9.643 -7.081 1.00 0.00 H new ATOM 1082 N GLY A 73 2.335 14.810 -1.468 1.00 0.00 N ATOM 1083 CA GLY A 73 2.644 16.183 -1.147 1.00 0.00 C ATOM 1084 C GLY A 73 1.836 16.705 0.022 1.00 0.00 C ATOM 1085 O GLY A 73 2.228 17.671 0.673 1.00 0.00 O ATOM 0 H GLY A 73 2.946 14.121 -1.029 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.706 16.268 -0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.457 16.807 -2.021 1.00 0.00 H new ATOM 1089 N VAL A 74 0.698 16.065 0.285 1.00 0.00 N ATOM 1090 CA VAL A 74 -0.161 16.472 1.388 1.00 0.00 C ATOM 1091 C VAL A 74 0.000 15.543 2.585 1.00 0.00 C ATOM 1092 O VAL A 74 0.167 15.997 3.718 1.00 0.00 O ATOM 1093 CB VAL A 74 -1.640 16.497 0.963 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -1.865 17.529 -0.126 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -2.092 15.119 0.504 1.00 0.00 C ATOM 0 H VAL A 74 0.353 15.267 -0.249 1.00 0.00 H new ATOM 0 HA VAL A 74 0.145 17.478 1.674 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.240 16.779 1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.917 17.532 -0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.588 18.516 0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.253 17.282 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.140 15.160 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.487 14.802 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.973 14.406 1.320 1.00 0.00 H new ATOM 1105 N GLY A 75 -0.054 14.239 2.330 1.00 0.00 N ATOM 1106 CA GLY A 75 0.084 13.267 3.400 1.00 0.00 C ATOM 1107 C GLY A 75 -1.166 13.115 4.229 1.00 0.00 C ATOM 1108 O GLY A 75 -1.721 12.023 4.345 1.00 0.00 O ATOM 0 H GLY A 75 -0.191 13.838 1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.348 12.300 2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.908 13.564 4.048 1.00 0.00 H new ATOM 1112 N THR A 76 -1.606 14.218 4.805 1.00 0.00 N ATOM 1113 CA THR A 76 -2.803 14.229 5.640 1.00 0.00 C ATOM 1114 C THR A 76 -3.984 13.580 4.924 1.00 0.00 C ATOM 1115 O THR A 76 -4.475 12.531 5.342 1.00 0.00 O ATOM 1116 CB THR A 76 -3.160 15.663 6.032 1.00 0.00 C ATOM 1117 OG1 THR A 76 -2.088 16.273 6.730 1.00 0.00 O ATOM 1118 CG2 THR A 76 -4.390 15.754 6.912 1.00 0.00 C ATOM 0 H THR A 76 -1.152 15.127 4.712 1.00 0.00 H new ATOM 0 HA THR A 76 -2.589 13.651 6.539 1.00 0.00 H new ATOM 0 HB THR A 76 -3.365 16.177 5.093 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.334 17.190 6.971 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.588 16.798 7.154 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.247 15.335 6.384 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.221 15.194 7.832 1.00 0.00 H new ATOM 1126 N LYS A 77 -4.439 14.210 3.846 1.00 0.00 N ATOM 1127 CA LYS A 77 -5.562 13.699 3.079 1.00 0.00 C ATOM 1128 C LYS A 77 -5.097 12.744 1.985 1.00 0.00 C ATOM 1129 O LYS A 77 -5.864 12.391 1.088 1.00 0.00 O ATOM 1130 CB LYS A 77 -6.353 14.855 2.461 1.00 0.00 C ATOM 1131 CG LYS A 77 -5.612 15.569 1.344 1.00 0.00 C ATOM 1132 CD LYS A 77 -6.185 15.221 -0.016 1.00 0.00 C ATOM 1133 CE LYS A 77 -7.054 16.345 -0.557 1.00 0.00 C ATOM 1134 NZ LYS A 77 -8.501 16.005 -0.499 1.00 0.00 N ATOM 0 H LYS A 77 -4.043 15.078 3.485 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.208 13.146 3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.297 14.472 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.598 15.575 3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.669 16.646 1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.557 15.298 1.375 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.372 15.019 -0.714 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.775 14.307 0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.871 17.253 0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.772 16.557 -1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.059 16.797 -0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.680 15.153 -1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.777 15.827 0.488 1.00 0.00 H new ATOM 1148 N ASN A 78 -3.838 12.330 2.064 1.00 0.00 N ATOM 1149 CA ASN A 78 -3.273 11.415 1.079 1.00 0.00 C ATOM 1150 C ASN A 78 -3.903 10.026 1.201 1.00 0.00 C ATOM 1151 O ASN A 78 -4.420 9.653 2.256 1.00 0.00 O ATOM 1152 CB ASN A 78 -1.750 11.338 1.253 1.00 0.00 C ATOM 1153 CG ASN A 78 -1.255 9.941 1.578 1.00 0.00 C ATOM 1154 OD1 ASN A 78 -1.450 9.004 0.803 1.00 0.00 O ATOM 1155 ND2 ASN A 78 -0.618 9.794 2.730 1.00 0.00 N ATOM 0 H ASN A 78 -3.189 12.613 2.799 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.495 11.795 0.082 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.268 11.683 0.338 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.447 12.018 2.049 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.267 8.877 3.005 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.479 10.598 3.342 1.00 0.00 H new ATOM 1162 N PRO A 79 -3.862 9.238 0.116 1.00 0.00 N ATOM 1163 CA PRO A 79 -4.427 7.895 0.102 1.00 0.00 C ATOM 1164 C PRO A 79 -3.558 6.894 0.858 1.00 0.00 C ATOM 1165 O PRO A 79 -2.599 6.340 0.316 1.00 0.00 O ATOM 1166 CB PRO A 79 -4.501 7.531 -1.388 1.00 0.00 C ATOM 1167 CG PRO A 79 -4.057 8.751 -2.135 1.00 0.00 C ATOM 1168 CD PRO A 79 -3.269 9.590 -1.172 1.00 0.00 C ATOM 0 HA PRO A 79 -5.397 7.864 0.598 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.858 6.680 -1.614 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.515 7.248 -1.670 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -3.447 8.476 -2.996 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.915 9.304 -2.516 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.205 9.355 -1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -3.368 10.654 -1.387 1.00 0.00 H new ATOM 1176 N LYS A 80 -3.909 6.662 2.120 1.00 0.00 N ATOM 1177 CA LYS A 80 -3.179 5.719 2.958 1.00 0.00 C ATOM 1178 C LYS A 80 -3.718 4.310 2.739 1.00 0.00 C ATOM 1179 O LYS A 80 -4.820 3.980 3.177 1.00 0.00 O ATOM 1180 CB LYS A 80 -3.298 6.098 4.436 1.00 0.00 C ATOM 1181 CG LYS A 80 -3.635 7.564 4.669 1.00 0.00 C ATOM 1182 CD LYS A 80 -5.117 7.759 4.937 1.00 0.00 C ATOM 1183 CE LYS A 80 -5.512 7.214 6.297 1.00 0.00 C ATOM 1184 NZ LYS A 80 -4.462 7.458 7.324 1.00 0.00 N ATOM 0 H LYS A 80 -4.696 7.116 2.584 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.126 5.753 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.067 5.480 4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.358 5.867 4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.059 7.941 5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.342 8.149 3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.361 8.820 4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.697 7.259 4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.445 7.678 6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.699 6.143 6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.875 7.357 8.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.693 6.768 7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.084 8.420 7.212 1.00 0.00 H new ATOM 1198 N LEU A 81 -2.947 3.487 2.041 1.00 0.00 N ATOM 1199 CA LEU A 81 -3.357 2.120 1.743 1.00 0.00 C ATOM 1200 C LEU A 81 -3.021 1.176 2.894 1.00 0.00 C ATOM 1201 O LEU A 81 -1.957 0.562 2.916 1.00 0.00 O ATOM 1202 CB LEU A 81 -2.702 1.656 0.435 1.00 0.00 C ATOM 1203 CG LEU A 81 -2.478 0.148 0.293 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.700 -0.621 0.766 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -2.152 -0.200 -1.146 1.00 0.00 C ATOM 0 H LEU A 81 -2.032 3.742 1.670 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.440 2.101 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.322 1.991 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.739 2.157 0.337 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.633 -0.138 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.521 -1.691 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.892 -0.390 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.564 -0.335 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.995 -1.275 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.979 0.100 -1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.247 0.325 -1.451 1.00 0.00 H new ATOM 1217 N THR A 82 -3.940 1.060 3.852 1.00 0.00 N ATOM 1218 CA THR A 82 -3.726 0.197 5.011 1.00 0.00 C ATOM 1219 C THR A 82 -3.742 -1.273 4.622 1.00 0.00 C ATOM 1220 O THR A 82 -4.765 -1.807 4.195 1.00 0.00 O ATOM 1221 CB THR A 82 -4.786 0.467 6.082 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.541 -0.308 7.237 1.00 0.00 O ATOM 1223 CG2 THR A 82 -6.198 0.176 5.624 1.00 0.00 C ATOM 0 H THR A 82 -4.835 1.550 3.848 1.00 0.00 H new ATOM 0 HA THR A 82 -2.741 0.428 5.416 1.00 0.00 H new ATOM 0 HB THR A 82 -4.708 1.533 6.296 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.613 -0.624 7.228 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.895 0.390 6.434 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.438 0.802 4.764 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.280 -0.874 5.343 1.00 0.00 H new ATOM 1231 N ILE A 83 -2.590 -1.921 4.777 1.00 0.00 N ATOM 1232 CA ILE A 83 -2.448 -3.334 4.449 1.00 0.00 C ATOM 1233 C ILE A 83 -2.417 -4.183 5.723 1.00 0.00 C ATOM 1234 O ILE A 83 -1.557 -3.999 6.593 1.00 0.00 O ATOM 1235 CB ILE A 83 -1.169 -3.584 3.616 1.00 0.00 C ATOM 1236 CG1 ILE A 83 -1.319 -4.846 2.765 1.00 0.00 C ATOM 1237 CG2 ILE A 83 0.051 -3.686 4.514 1.00 0.00 C ATOM 1238 CD1 ILE A 83 -0.750 -4.702 1.366 1.00 0.00 C ATOM 0 H ILE A 83 -1.738 -1.485 5.130 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.312 -3.626 3.852 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.028 -2.734 2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.821 -5.675 3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.376 -5.104 2.694 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.938 -3.862 3.905 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.172 -2.757 5.071 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.079 -4.513 5.212 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.891 -5.634 0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.264 -3.894 0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.314 -4.474 1.428 1.00 0.00 H new ATOM 1250 N THR A 84 -3.370 -5.108 5.834 1.00 0.00 N ATOM 1251 CA THR A 84 -3.459 -5.973 7.004 1.00 0.00 C ATOM 1252 C THR A 84 -2.690 -7.272 6.796 1.00 0.00 C ATOM 1253 O THR A 84 -3.146 -8.167 6.088 1.00 0.00 O ATOM 1254 CB THR A 84 -4.920 -6.287 7.325 1.00 0.00 C ATOM 1255 OG1 THR A 84 -5.724 -5.125 7.201 1.00 0.00 O ATOM 1256 CG2 THR A 84 -5.120 -6.838 8.722 1.00 0.00 C ATOM 0 H THR A 84 -4.088 -5.275 5.129 1.00 0.00 H new ATOM 0 HA THR A 84 -3.011 -5.439 7.842 1.00 0.00 H new ATOM 0 HB THR A 84 -5.216 -7.049 6.605 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.852 -4.915 6.252 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.179 -7.040 8.886 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.553 -7.762 8.833 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.772 -6.109 9.454 1.00 0.00 H new ATOM 1264 N VAL A 85 -1.527 -7.370 7.428 1.00 0.00 N ATOM 1265 CA VAL A 85 -0.700 -8.567 7.324 1.00 0.00 C ATOM 1266 C VAL A 85 -1.090 -9.579 8.389 1.00 0.00 C ATOM 1267 O VAL A 85 -0.755 -9.421 9.565 1.00 0.00 O ATOM 1268 CB VAL A 85 0.795 -8.251 7.468 1.00 0.00 C ATOM 1269 CG1 VAL A 85 1.607 -9.045 6.458 1.00 0.00 C ATOM 1270 CG2 VAL A 85 1.059 -6.760 7.322 1.00 0.00 C ATOM 0 H VAL A 85 -1.135 -6.636 8.018 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.873 -8.981 6.331 1.00 0.00 H new ATOM 0 HB VAL A 85 1.107 -8.546 8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.665 -8.808 6.575 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.453 -10.111 6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.286 -8.786 5.449 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.127 -6.567 7.429 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.727 -6.426 6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.513 -6.217 8.093 1.00 0.00 H new ATOM 1280 N LEU A 86 -1.798 -10.619 7.975 1.00 0.00 N ATOM 1281 CA LEU A 86 -2.236 -11.665 8.891 1.00 0.00 C ATOM 1282 C LEU A 86 -1.092 -12.621 9.211 1.00 0.00 C ATOM 1283 O LEU A 86 -0.112 -12.704 8.468 1.00 0.00 O ATOM 1284 CB LEU A 86 -3.417 -12.438 8.298 1.00 0.00 C ATOM 1285 CG LEU A 86 -4.406 -11.594 7.491 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -5.468 -12.479 6.858 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -5.049 -10.538 8.378 1.00 0.00 C ATOM 0 H LEU A 86 -2.083 -10.763 7.006 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.557 -11.189 9.817 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.028 -13.228 7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.957 -12.925 9.110 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.861 -11.089 6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.163 -11.862 6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.992 -13.199 6.193 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.011 -13.011 7.639 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.750 -9.946 7.789 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.582 -11.024 9.195 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.277 -9.886 8.786 1.00 0.00 H new