USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 894 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 76 SER OG : rot 180:sc= -0.359 USER MOD Set 1.2: A 79 GLN : amide:sc= 0.0354 K(o=-0.32,f=-4.8!) USER MOD Set 2.1: A 68 SER OG : rot 77:sc= 0.434 USER MOD Set 2.2: A 74 LYS NZ :NH3+ 141:sc= 0.0585 (180deg=0) USER MOD Single : A 1 MET CE :methyl -153:sc= -0.0583 (180deg=-0.516) USER MOD Single : A 1 MET N :NH3+ -139:sc= -0.177 (180deg=-1.04) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0419 USER MOD Single : A 8 THR OG1 : rot -160:sc= -0.498 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 21 THR OG1 : rot -82:sc= 0.545 USER MOD Single : A 22 GLN : amide:sc= -0.533 X(o=-0.53,f=-0.23) USER MOD Single : A 23 ASN : amide:sc= 0.0217 K(o=0.022,f=-5.8!) USER MOD Single : A 24 GLN : amide:sc= -1.15 K(o=-1.2,f=-4!) USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= -0.0307 (180deg=-0.392) USER MOD Single : A 30 ASN : amide:sc= -0.0155 K(o=-0.015,f=-2!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.478 USER MOD Single : A 33 MET CE :methyl -162:sc= -0.0594 (180deg=-0.196) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.952 K(o=-0.95,f=-3.3!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0602 USER MOD Single : A 43 MET CE :methyl -153:sc= -0.281 (180deg=-2.07!) USER MOD Single : A 44 TYR OH : rot 30:sc= -0.69 USER MOD Single : A 50 SER OG : rot 78:sc= 0.0211 USER MOD Single : A 53 ASN : amide:sc= -3.18! C(o=-3.2!,f=-1.6!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -5.73! K(o=-5.7!,f=-2) USER MOD Single : A 66 MET CE :methyl 168:sc= -1.62 (180deg=-2.31) USER MOD Single : A 73 HIS : no HE2:sc= -6.92! C(o=-6.9!,f=-11!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -45:sc= 0.206 USER MOD Single : A 84 HIS : no HE2:sc= -4.83! C(o=-4.8!,f=-9.8!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-2.1) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -158:sc= -0.0402 (180deg=-0.415) USER MOD Single : A 113 ASN : amide:sc= -6.55! C(o=-6.5!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.216 3.984 14.387 1.00 0.00 N ATOM 2 CA MET A 1 19.978 5.257 14.248 1.00 0.00 C ATOM 3 C MET A 1 19.144 6.272 13.457 1.00 0.00 C ATOM 4 O MET A 1 17.946 6.375 13.633 1.00 0.00 O ATOM 5 CB MET A 1 21.290 4.983 13.510 1.00 0.00 C ATOM 6 CG MET A 1 22.119 3.974 14.307 1.00 0.00 C ATOM 7 SD MET A 1 22.680 4.729 15.858 1.00 0.00 S ATOM 8 CE MET A 1 23.977 5.796 15.176 1.00 0.00 C ATOM 0 H1 MET A 1 19.342 3.607 15.348 1.00 0.00 H new ATOM 0 H2 MET A 1 18.206 4.163 14.215 1.00 0.00 H new ATOM 0 H3 MET A 1 19.568 3.292 13.695 1.00 0.00 H new ATOM 0 HA MET A 1 20.194 5.663 15.236 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.085 4.595 12.512 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.849 5.910 13.383 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.523 3.086 14.519 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.977 3.649 13.719 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.739 5.973 15.935 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.431 5.310 14.312 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.542 6.747 14.870 1.00 0.00 H new ATOM 20 N GLY A 2 19.768 7.025 12.590 1.00 0.00 N ATOM 21 CA GLY A 2 19.013 8.036 11.794 1.00 0.00 C ATOM 22 C GLY A 2 18.119 7.326 10.764 1.00 0.00 C ATOM 23 O GLY A 2 18.271 6.146 10.520 1.00 0.00 O ATOM 0 H GLY A 2 20.769 6.983 12.399 1.00 0.00 H new ATOM 0 HA2 GLY A 2 18.403 8.652 12.455 1.00 0.00 H new ATOM 0 HA3 GLY A 2 19.708 8.705 11.286 1.00 0.00 H new ATOM 27 N PRO A 3 17.188 8.038 10.164 1.00 0.00 N ATOM 28 CA PRO A 3 16.275 7.426 9.154 1.00 0.00 C ATOM 29 C PRO A 3 17.035 6.671 8.049 1.00 0.00 C ATOM 30 O PRO A 3 18.161 6.991 7.724 1.00 0.00 O ATOM 31 CB PRO A 3 15.528 8.654 8.586 1.00 0.00 C ATOM 32 CG PRO A 3 15.959 9.908 9.380 1.00 0.00 C ATOM 33 CD PRO A 3 16.986 9.487 10.448 1.00 0.00 C ATOM 0 HA PRO A 3 15.618 6.672 9.586 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.758 8.780 7.528 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.450 8.510 8.664 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.394 10.649 8.709 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.093 10.373 9.851 1.00 0.00 H new ATOM 0 HD2 PRO A 3 17.915 10.049 10.358 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.610 9.652 11.458 1.00 0.00 H new ATOM 41 N VAL A 4 16.415 5.676 7.466 1.00 0.00 N ATOM 42 CA VAL A 4 17.083 4.905 6.379 1.00 0.00 C ATOM 43 C VAL A 4 16.919 5.669 5.049 1.00 0.00 C ATOM 44 O VAL A 4 15.943 6.368 4.867 1.00 0.00 O ATOM 45 CB VAL A 4 16.417 3.531 6.264 1.00 0.00 C ATOM 46 CG1 VAL A 4 16.831 2.655 7.450 1.00 0.00 C ATOM 47 CG2 VAL A 4 14.896 3.704 6.269 1.00 0.00 C ATOM 0 H VAL A 4 15.472 5.365 7.698 1.00 0.00 H new ATOM 0 HA VAL A 4 18.143 4.782 6.602 1.00 0.00 H new ATOM 0 HB VAL A 4 16.731 3.054 5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 4 16.355 1.678 7.364 1.00 0.00 H new ATOM 0 HG12 VAL A 4 17.914 2.532 7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 4 16.519 3.130 8.380 1.00 0.00 H new ATOM 0 HG21 VAL A 4 14.418 2.728 6.187 1.00 0.00 H new ATOM 0 HG22 VAL A 4 14.587 4.182 7.199 1.00 0.00 H new ATOM 0 HG23 VAL A 4 14.598 4.326 5.425 1.00 0.00 H new ATOM 57 N PRO A 5 17.849 5.552 4.118 1.00 0.00 N ATOM 58 CA PRO A 5 17.719 6.279 2.820 1.00 0.00 C ATOM 59 C PRO A 5 16.443 5.877 2.044 1.00 0.00 C ATOM 60 O PRO A 5 15.791 4.907 2.379 1.00 0.00 O ATOM 61 CB PRO A 5 19.000 5.863 2.065 1.00 0.00 C ATOM 62 CG PRO A 5 19.726 4.783 2.893 1.00 0.00 C ATOM 63 CD PRO A 5 19.072 4.714 4.284 1.00 0.00 C ATOM 0 HA PRO A 5 17.622 7.357 2.949 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.749 5.478 1.077 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.649 6.726 1.916 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.660 3.816 2.395 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.785 5.023 2.984 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.825 3.690 4.564 1.00 0.00 H new ATOM 0 HD3 PRO A 5 19.729 5.107 5.060 1.00 0.00 H new ATOM 71 N PRO A 6 16.085 6.626 1.019 1.00 0.00 N ATOM 72 CA PRO A 6 14.858 6.325 0.212 1.00 0.00 C ATOM 73 C PRO A 6 14.945 5.003 -0.572 1.00 0.00 C ATOM 74 O PRO A 6 14.052 4.181 -0.520 1.00 0.00 O ATOM 75 CB PRO A 6 14.800 7.528 -0.752 1.00 0.00 C ATOM 76 CG PRO A 6 16.159 8.247 -0.701 1.00 0.00 C ATOM 77 CD PRO A 6 16.870 7.824 0.593 1.00 0.00 C ATOM 0 HA PRO A 6 13.976 6.197 0.840 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.585 7.193 -1.767 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.998 8.208 -0.464 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.762 7.985 -1.570 1.00 0.00 H new ATOM 0 HG3 PRO A 6 16.020 9.328 -0.724 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.918 7.581 0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.846 8.613 1.345 1.00 0.00 H new ATOM 85 N SER A 7 15.997 4.810 -1.316 1.00 0.00 N ATOM 86 CA SER A 7 16.120 3.560 -2.123 1.00 0.00 C ATOM 87 C SER A 7 16.098 2.342 -1.202 1.00 0.00 C ATOM 88 O SER A 7 15.508 1.328 -1.515 1.00 0.00 O ATOM 89 CB SER A 7 17.432 3.584 -2.905 1.00 0.00 C ATOM 90 OG SER A 7 18.523 3.564 -1.994 1.00 0.00 O ATOM 0 H SER A 7 16.777 5.461 -1.402 1.00 0.00 H new ATOM 0 HA SER A 7 15.282 3.499 -2.818 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.486 2.725 -3.573 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.481 4.477 -3.529 1.00 0.00 H new ATOM 0 HG SER A 7 19.366 3.578 -2.493 1.00 0.00 H new ATOM 96 N THR A 8 16.732 2.429 -0.070 1.00 0.00 N ATOM 97 CA THR A 8 16.738 1.267 0.862 1.00 0.00 C ATOM 98 C THR A 8 15.328 1.036 1.410 1.00 0.00 C ATOM 99 O THR A 8 14.882 -0.084 1.543 1.00 0.00 O ATOM 100 CB THR A 8 17.696 1.553 2.021 1.00 0.00 C ATOM 101 OG1 THR A 8 19.004 1.755 1.508 1.00 0.00 O ATOM 102 CG2 THR A 8 17.698 0.374 2.996 1.00 0.00 C ATOM 0 H THR A 8 17.245 3.250 0.252 1.00 0.00 H new ATOM 0 HA THR A 8 17.065 0.375 0.327 1.00 0.00 H new ATOM 0 HB THR A 8 17.370 2.449 2.550 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.660 1.623 2.224 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.382 0.583 3.819 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.692 0.225 3.389 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.022 -0.528 2.476 1.00 0.00 H new ATOM 110 N ALA A 9 14.623 2.083 1.733 1.00 0.00 N ATOM 111 CA ALA A 9 13.247 1.914 2.280 1.00 0.00 C ATOM 112 C ALA A 9 12.355 1.186 1.269 1.00 0.00 C ATOM 113 O ALA A 9 11.637 0.268 1.615 1.00 0.00 O ATOM 114 CB ALA A 9 12.652 3.289 2.587 1.00 0.00 C ATOM 0 H ALA A 9 14.939 3.049 1.642 1.00 0.00 H new ATOM 0 HA ALA A 9 13.300 1.320 3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.645 3.169 2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.276 3.800 3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.610 3.880 1.672 1.00 0.00 H new ATOM 120 N LEU A 10 12.378 1.589 0.028 1.00 0.00 N ATOM 121 CA LEU A 10 11.513 0.912 -0.981 1.00 0.00 C ATOM 122 C LEU A 10 11.890 -0.571 -1.060 1.00 0.00 C ATOM 123 O LEU A 10 11.040 -1.439 -1.021 1.00 0.00 O ATOM 124 CB LEU A 10 11.711 1.568 -2.355 1.00 0.00 C ATOM 125 CG LEU A 10 10.796 0.905 -3.403 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.322 1.220 -3.103 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.157 1.444 -4.788 1.00 0.00 C ATOM 0 H LEU A 10 12.953 2.352 -0.330 1.00 0.00 H new ATOM 0 HA LEU A 10 10.468 1.007 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.490 2.633 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.753 1.476 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 10 10.937 -0.175 -3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.689 0.745 -3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.063 0.840 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.168 2.299 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.515 0.981 -5.537 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.015 2.525 -4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.199 1.211 -5.009 1.00 0.00 H new ATOM 139 N ARG A 11 13.156 -0.868 -1.188 1.00 0.00 N ATOM 140 CA ARG A 11 13.582 -2.294 -1.291 1.00 0.00 C ATOM 141 C ARG A 11 13.153 -3.048 -0.031 1.00 0.00 C ATOM 142 O ARG A 11 12.667 -4.159 -0.097 1.00 0.00 O ATOM 143 CB ARG A 11 15.104 -2.352 -1.433 1.00 0.00 C ATOM 144 CG ARG A 11 15.502 -1.816 -2.809 1.00 0.00 C ATOM 145 CD ARG A 11 17.026 -1.823 -2.945 1.00 0.00 C ATOM 146 NE ARG A 11 17.526 -3.225 -2.919 1.00 0.00 N ATOM 147 CZ ARG A 11 18.738 -3.489 -3.324 1.00 0.00 C ATOM 148 NH1 ARG A 11 19.505 -2.526 -3.757 1.00 0.00 N ATOM 149 NH2 ARG A 11 19.183 -4.715 -3.298 1.00 0.00 N ATOM 0 H ARG A 11 13.913 -0.185 -1.226 1.00 0.00 H new ATOM 0 HA ARG A 11 13.115 -2.756 -2.161 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.577 -1.761 -0.649 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.453 -3.378 -1.314 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.055 -2.429 -3.592 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.120 -0.803 -2.940 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.320 -1.339 -3.877 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.476 -1.251 -2.133 1.00 0.00 H new ATOM 0 HE ARG A 11 16.923 -3.977 -2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.157 -1.567 -3.779 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.452 -2.732 -4.074 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.583 -5.468 -2.961 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.131 -4.920 -3.615 1.00 0.00 H new ATOM 163 N GLU A 12 13.313 -2.446 1.115 1.00 0.00 N ATOM 164 CA GLU A 12 12.897 -3.122 2.376 1.00 0.00 C ATOM 165 C GLU A 12 11.382 -3.341 2.352 1.00 0.00 C ATOM 166 O GLU A 12 10.879 -4.350 2.804 1.00 0.00 O ATOM 167 CB GLU A 12 13.276 -2.253 3.581 1.00 0.00 C ATOM 168 CG GLU A 12 14.798 -2.240 3.749 1.00 0.00 C ATOM 169 CD GLU A 12 15.278 -3.619 4.204 1.00 0.00 C ATOM 170 OE1 GLU A 12 14.692 -4.154 5.130 1.00 0.00 O ATOM 171 OE2 GLU A 12 16.227 -4.115 3.620 1.00 0.00 O ATOM 0 H GLU A 12 13.714 -1.515 1.233 1.00 0.00 H new ATOM 0 HA GLU A 12 13.404 -4.083 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.907 -1.237 3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.804 -2.640 4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.275 -1.971 2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.086 -1.484 4.480 1.00 0.00 H new ATOM 178 N LEU A 13 10.652 -2.390 1.834 1.00 0.00 N ATOM 179 CA LEU A 13 9.168 -2.521 1.785 1.00 0.00 C ATOM 180 C LEU A 13 8.772 -3.601 0.770 1.00 0.00 C ATOM 181 O LEU A 13 7.905 -4.413 1.026 1.00 0.00 O ATOM 182 CB LEU A 13 8.580 -1.166 1.360 1.00 0.00 C ATOM 183 CG LEU A 13 7.047 -1.227 1.288 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.458 -1.465 2.687 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.528 0.104 0.733 1.00 0.00 C ATOM 0 H LEU A 13 11.022 -1.524 1.441 1.00 0.00 H new ATOM 0 HA LEU A 13 8.784 -2.808 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.884 -0.396 2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.982 -0.880 0.388 1.00 0.00 H new ATOM 0 HG LEU A 13 6.746 -2.049 0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.371 -1.506 2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.834 -2.408 3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.751 -0.650 3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.440 0.075 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.836 0.917 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.939 0.268 -0.263 1.00 0.00 H new ATOM 197 N ILE A 14 9.397 -3.623 -0.376 1.00 0.00 N ATOM 198 CA ILE A 14 9.049 -4.657 -1.394 1.00 0.00 C ATOM 199 C ILE A 14 9.295 -6.051 -0.813 1.00 0.00 C ATOM 200 O ILE A 14 8.456 -6.927 -0.886 1.00 0.00 O ATOM 201 CB ILE A 14 9.910 -4.453 -2.649 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.463 -3.171 -3.357 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.743 -5.643 -3.603 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.459 -2.816 -4.462 1.00 0.00 C ATOM 0 H ILE A 14 10.132 -2.972 -0.652 1.00 0.00 H new ATOM 0 HA ILE A 14 7.997 -4.563 -1.664 1.00 0.00 H new ATOM 0 HB ILE A 14 10.958 -4.375 -2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.468 -3.307 -3.781 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.395 -2.353 -2.640 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.358 -5.488 -4.489 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.055 -6.559 -3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.697 -5.729 -3.898 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.137 -1.903 -4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.446 -2.662 -4.026 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.505 -3.630 -5.186 1.00 0.00 H new ATOM 216 N GLU A 15 10.449 -6.261 -0.250 1.00 0.00 N ATOM 217 CA GLU A 15 10.777 -7.593 0.326 1.00 0.00 C ATOM 218 C GLU A 15 9.774 -7.948 1.430 1.00 0.00 C ATOM 219 O GLU A 15 9.361 -9.084 1.562 1.00 0.00 O ATOM 220 CB GLU A 15 12.191 -7.552 0.911 1.00 0.00 C ATOM 221 CG GLU A 15 13.215 -7.439 -0.224 1.00 0.00 C ATOM 222 CD GLU A 15 13.240 -8.740 -1.028 1.00 0.00 C ATOM 223 OE1 GLU A 15 13.091 -9.790 -0.425 1.00 0.00 O ATOM 224 OE2 GLU A 15 13.405 -8.665 -2.235 1.00 0.00 O ATOM 0 H GLU A 15 11.186 -5.561 -0.163 1.00 0.00 H new ATOM 0 HA GLU A 15 10.723 -8.349 -0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.290 -6.705 1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.380 -8.452 1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.960 -6.603 -0.875 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.204 -7.234 0.185 1.00 0.00 H new ATOM 231 N GLU A 16 9.396 -6.995 2.238 1.00 0.00 N ATOM 232 CA GLU A 16 8.441 -7.293 3.345 1.00 0.00 C ATOM 233 C GLU A 16 7.049 -7.615 2.781 1.00 0.00 C ATOM 234 O GLU A 16 6.392 -8.532 3.231 1.00 0.00 O ATOM 235 CB GLU A 16 8.344 -6.071 4.265 1.00 0.00 C ATOM 236 CG GLU A 16 7.522 -6.415 5.512 1.00 0.00 C ATOM 237 CD GLU A 16 8.265 -7.457 6.352 1.00 0.00 C ATOM 238 OE1 GLU A 16 9.482 -7.495 6.273 1.00 0.00 O ATOM 239 OE2 GLU A 16 7.604 -8.195 7.063 1.00 0.00 O ATOM 0 H GLU A 16 9.706 -6.025 2.180 1.00 0.00 H new ATOM 0 HA GLU A 16 8.802 -8.157 3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.343 -5.745 4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.881 -5.241 3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.347 -5.516 6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.545 -6.800 5.220 1.00 0.00 H new ATOM 246 N LEU A 17 6.590 -6.876 1.804 1.00 0.00 N ATOM 247 CA LEU A 17 5.237 -7.161 1.234 1.00 0.00 C ATOM 248 C LEU A 17 5.210 -8.565 0.620 1.00 0.00 C ATOM 249 O LEU A 17 4.239 -9.286 0.739 1.00 0.00 O ATOM 250 CB LEU A 17 4.898 -6.127 0.151 1.00 0.00 C ATOM 251 CG LEU A 17 4.632 -4.752 0.787 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.615 -3.685 -0.314 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.271 -4.749 1.516 1.00 0.00 C ATOM 0 H LEU A 17 7.088 -6.094 1.379 1.00 0.00 H new ATOM 0 HA LEU A 17 4.500 -7.104 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.721 -6.053 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.021 -6.452 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 17 5.420 -4.537 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.427 -2.707 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.578 -3.673 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.828 -3.915 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.098 -3.769 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.476 -4.970 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.276 -5.507 2.300 1.00 0.00 H new ATOM 265 N VAL A 18 6.261 -8.952 -0.044 1.00 0.00 N ATOM 266 CA VAL A 18 6.295 -10.301 -0.680 1.00 0.00 C ATOM 267 C VAL A 18 6.280 -11.397 0.396 1.00 0.00 C ATOM 268 O VAL A 18 5.592 -12.390 0.276 1.00 0.00 O ATOM 269 CB VAL A 18 7.577 -10.418 -1.517 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.769 -11.861 -1.994 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.475 -9.489 -2.730 1.00 0.00 C ATOM 0 H VAL A 18 7.103 -8.391 -0.175 1.00 0.00 H new ATOM 0 HA VAL A 18 5.418 -10.426 -1.316 1.00 0.00 H new ATOM 0 HB VAL A 18 8.431 -10.133 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.681 -11.930 -2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.846 -12.522 -1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.917 -12.159 -2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.383 -9.569 -3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.616 -9.775 -3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.353 -8.460 -2.391 1.00 0.00 H new ATOM 281 N ASN A 19 7.057 -11.233 1.429 1.00 0.00 N ATOM 282 CA ASN A 19 7.125 -12.273 2.499 1.00 0.00 C ATOM 283 C ASN A 19 5.756 -12.503 3.155 1.00 0.00 C ATOM 284 O ASN A 19 5.391 -13.621 3.463 1.00 0.00 O ATOM 285 CB ASN A 19 8.119 -11.820 3.569 1.00 0.00 C ATOM 286 CG ASN A 19 8.196 -12.879 4.669 1.00 0.00 C ATOM 287 OD1 ASN A 19 8.257 -14.060 4.386 1.00 0.00 O ATOM 288 ND2 ASN A 19 8.195 -12.509 5.919 1.00 0.00 N ATOM 0 H ASN A 19 7.653 -10.419 1.581 1.00 0.00 H new ATOM 0 HA ASN A 19 7.444 -13.210 2.042 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.103 -11.667 3.126 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.807 -10.864 3.990 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.245 -13.210 6.658 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.144 -11.519 6.158 1.00 0.00 H new ATOM 295 N ILE A 20 5.010 -11.464 3.407 1.00 0.00 N ATOM 296 CA ILE A 20 3.690 -11.645 4.084 1.00 0.00 C ATOM 297 C ILE A 20 2.626 -12.187 3.121 1.00 0.00 C ATOM 298 O ILE A 20 1.645 -12.759 3.551 1.00 0.00 O ATOM 299 CB ILE A 20 3.228 -10.307 4.665 1.00 0.00 C ATOM 300 CG1 ILE A 20 3.086 -9.276 3.542 1.00 0.00 C ATOM 301 CG2 ILE A 20 4.258 -9.813 5.682 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.541 -7.966 4.114 1.00 0.00 C ATOM 0 H ILE A 20 5.253 -10.501 3.176 1.00 0.00 H new ATOM 0 HA ILE A 20 3.818 -12.376 4.882 1.00 0.00 H new ATOM 0 HB ILE A 20 2.263 -10.440 5.155 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.053 -9.104 3.069 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.416 -9.654 2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.931 -8.860 6.097 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.356 -10.544 6.485 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.222 -9.683 5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.441 -7.233 3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.566 -8.145 4.567 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.228 -7.585 4.870 1.00 0.00 H new ATOM 314 N THR A 21 2.784 -12.003 1.831 1.00 0.00 N ATOM 315 CA THR A 21 1.741 -12.505 0.872 1.00 0.00 C ATOM 316 C THR A 21 2.153 -13.856 0.277 1.00 0.00 C ATOM 317 O THR A 21 1.338 -14.568 -0.276 1.00 0.00 O ATOM 318 CB THR A 21 1.554 -11.491 -0.265 1.00 0.00 C ATOM 319 OG1 THR A 21 2.798 -11.285 -0.920 1.00 0.00 O ATOM 320 CG2 THR A 21 1.038 -10.152 0.288 1.00 0.00 C ATOM 0 H THR A 21 3.581 -11.532 1.402 1.00 0.00 H new ATOM 0 HA THR A 21 0.806 -12.631 1.418 1.00 0.00 H new ATOM 0 HB THR A 21 0.823 -11.883 -0.972 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.333 -10.641 -0.411 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.911 -9.445 -0.531 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.080 -10.308 0.784 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.757 -9.753 1.004 1.00 0.00 H new ATOM 328 N GLN A 22 3.398 -14.223 0.381 1.00 0.00 N ATOM 329 CA GLN A 22 3.832 -15.535 -0.183 1.00 0.00 C ATOM 330 C GLN A 22 3.370 -16.685 0.722 1.00 0.00 C ATOM 331 O GLN A 22 2.977 -17.734 0.252 1.00 0.00 O ATOM 332 CB GLN A 22 5.362 -15.563 -0.306 1.00 0.00 C ATOM 333 CG GLN A 22 5.799 -14.781 -1.548 1.00 0.00 C ATOM 334 CD GLN A 22 5.421 -15.570 -2.804 1.00 0.00 C ATOM 335 OE1 GLN A 22 4.819 -15.035 -3.714 1.00 0.00 O ATOM 336 NE2 GLN A 22 5.748 -16.831 -2.892 1.00 0.00 N ATOM 0 H GLN A 22 4.133 -13.676 0.829 1.00 0.00 H new ATOM 0 HA GLN A 22 3.383 -15.659 -1.168 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.815 -15.130 0.586 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.711 -16.593 -0.373 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.320 -13.802 -1.562 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.875 -14.609 -1.523 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.253 -17.281 -2.129 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.498 -17.366 -3.724 1.00 0.00 H new ATOM 345 N ASN A 23 3.446 -16.510 2.015 1.00 0.00 N ATOM 346 CA ASN A 23 3.045 -17.608 2.954 1.00 0.00 C ATOM 347 C ASN A 23 1.600 -17.434 3.441 1.00 0.00 C ATOM 348 O ASN A 23 1.152 -18.156 4.310 1.00 0.00 O ATOM 349 CB ASN A 23 3.981 -17.591 4.164 1.00 0.00 C ATOM 350 CG ASN A 23 3.754 -16.309 4.967 1.00 0.00 C ATOM 351 OD1 ASN A 23 3.267 -15.327 4.442 1.00 0.00 O ATOM 352 ND2 ASN A 23 4.085 -16.277 6.229 1.00 0.00 N ATOM 0 H ASN A 23 3.769 -15.654 2.466 1.00 0.00 H new ATOM 0 HA ASN A 23 3.114 -18.556 2.421 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.797 -18.463 4.792 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.019 -17.648 3.835 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.935 -15.428 6.774 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.494 -17.101 6.670 1.00 0.00 H new ATOM 359 N GLN A 24 0.861 -16.492 2.915 1.00 0.00 N ATOM 360 CA GLN A 24 -0.545 -16.315 3.398 1.00 0.00 C ATOM 361 C GLN A 24 -1.471 -17.303 2.681 1.00 0.00 C ATOM 362 O GLN A 24 -1.477 -17.400 1.470 1.00 0.00 O ATOM 363 CB GLN A 24 -1.013 -14.865 3.149 1.00 0.00 C ATOM 364 CG GLN A 24 -1.441 -14.656 1.687 1.00 0.00 C ATOM 365 CD GLN A 24 -1.730 -13.172 1.455 1.00 0.00 C ATOM 366 OE1 GLN A 24 -1.354 -12.336 2.254 1.00 0.00 O ATOM 367 NE2 GLN A 24 -2.388 -12.806 0.391 1.00 0.00 N ATOM 0 H GLN A 24 1.161 -15.847 2.184 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.581 -16.513 4.469 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.847 -14.632 3.811 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.207 -14.174 3.396 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.654 -14.995 1.013 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.328 -15.250 1.467 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.704 -13.507 -0.280 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.587 -11.819 0.229 1.00 0.00 H new ATOM 376 N LYS A 25 -2.272 -18.023 3.420 1.00 0.00 N ATOM 377 CA LYS A 25 -3.219 -18.982 2.782 1.00 0.00 C ATOM 378 C LYS A 25 -4.527 -18.241 2.504 1.00 0.00 C ATOM 379 O LYS A 25 -4.778 -17.796 1.402 1.00 0.00 O ATOM 380 CB LYS A 25 -3.470 -20.163 3.725 1.00 0.00 C ATOM 381 CG LYS A 25 -4.327 -21.216 3.016 1.00 0.00 C ATOM 382 CD LYS A 25 -4.564 -22.399 3.957 1.00 0.00 C ATOM 383 CE LYS A 25 -5.396 -23.467 3.243 1.00 0.00 C ATOM 384 NZ LYS A 25 -6.745 -22.921 2.924 1.00 0.00 N ATOM 0 H LYS A 25 -2.311 -17.988 4.439 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.804 -19.368 1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.521 -20.601 4.035 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.973 -19.819 4.629 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.280 -20.781 2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.829 -21.554 2.108 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.610 -22.820 4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.080 -22.063 4.856 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.894 -23.781 2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.490 -24.351 3.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.403 -23.706 2.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.090 -22.358 3.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.685 -22.318 2.079 1.00 0.00 H new ATOM 398 N ALA A 26 -5.352 -18.082 3.504 1.00 0.00 N ATOM 399 CA ALA A 26 -6.633 -17.345 3.308 1.00 0.00 C ATOM 400 C ALA A 26 -6.336 -15.834 3.374 1.00 0.00 C ATOM 401 O ALA A 26 -5.358 -15.426 3.969 1.00 0.00 O ATOM 402 CB ALA A 26 -7.615 -17.745 4.425 1.00 0.00 C ATOM 0 H ALA A 26 -5.194 -18.431 4.449 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.078 -17.588 2.343 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.556 -17.211 4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.798 -18.819 4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.187 -17.489 5.394 1.00 0.00 H new ATOM 408 N PRO A 27 -7.162 -15.001 2.780 1.00 0.00 N ATOM 409 CA PRO A 27 -6.922 -13.533 2.821 1.00 0.00 C ATOM 410 C PRO A 27 -6.504 -13.063 4.222 1.00 0.00 C ATOM 411 O PRO A 27 -6.997 -13.551 5.220 1.00 0.00 O ATOM 412 CB PRO A 27 -8.297 -12.970 2.410 1.00 0.00 C ATOM 413 CG PRO A 27 -9.125 -14.121 1.796 1.00 0.00 C ATOM 414 CD PRO A 27 -8.376 -15.447 2.041 1.00 0.00 C ATOM 0 HA PRO A 27 -6.107 -13.204 2.176 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.811 -12.552 3.276 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.177 -12.161 1.689 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.117 -14.157 2.247 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.267 -13.958 0.728 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.972 -16.148 2.626 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.121 -15.948 1.107 1.00 0.00 H new ATOM 422 N LEU A 28 -5.598 -12.126 4.309 1.00 0.00 N ATOM 423 CA LEU A 28 -5.164 -11.649 5.651 1.00 0.00 C ATOM 424 C LEU A 28 -6.369 -11.050 6.376 1.00 0.00 C ATOM 425 O LEU A 28 -6.597 -11.309 7.541 1.00 0.00 O ATOM 426 CB LEU A 28 -4.078 -10.578 5.493 1.00 0.00 C ATOM 427 CG LEU A 28 -2.824 -11.183 4.842 1.00 0.00 C ATOM 428 CD1 LEU A 28 -1.821 -10.062 4.548 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.178 -12.219 5.784 1.00 0.00 C ATOM 0 H LEU A 28 -5.144 -11.674 3.515 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.761 -12.483 6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.453 -9.757 4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.825 -10.160 6.467 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.107 -11.682 3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.929 -10.484 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.273 -9.338 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.547 -9.565 5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.291 -12.639 5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.895 -11.734 6.718 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.891 -13.017 5.991 1.00 0.00 H new ATOM 441 N CYS A 29 -7.149 -10.261 5.691 1.00 0.00 N ATOM 442 CA CYS A 29 -8.352 -9.652 6.329 1.00 0.00 C ATOM 443 C CYS A 29 -9.538 -10.612 6.201 1.00 0.00 C ATOM 444 O CYS A 29 -9.526 -11.522 5.396 1.00 0.00 O ATOM 445 CB CYS A 29 -8.686 -8.333 5.634 1.00 0.00 C ATOM 446 SG CYS A 29 -7.464 -7.082 6.100 1.00 0.00 S ATOM 0 H CYS A 29 -7.005 -10.010 4.713 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.148 -9.464 7.383 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.689 -8.470 4.553 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.686 -8.003 5.916 1.00 0.00 H new ATOM 451 N ASN A 30 -10.563 -10.412 6.983 1.00 0.00 N ATOM 452 CA ASN A 30 -11.753 -11.307 6.901 1.00 0.00 C ATOM 453 C ASN A 30 -12.457 -11.108 5.554 1.00 0.00 C ATOM 454 O ASN A 30 -13.664 -10.984 5.490 1.00 0.00 O ATOM 455 CB ASN A 30 -12.723 -10.975 8.037 1.00 0.00 C ATOM 456 CG ASN A 30 -12.118 -11.413 9.371 1.00 0.00 C ATOM 457 OD1 ASN A 30 -11.233 -12.245 9.406 1.00 0.00 O ATOM 458 ND2 ASN A 30 -12.560 -10.884 10.479 1.00 0.00 N ATOM 0 H ASN A 30 -10.628 -9.667 7.676 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.430 -12.344 6.990 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.928 -9.905 8.053 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.676 -11.479 7.875 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.163 -11.169 11.374 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.303 -10.186 10.450 1.00 0.00 H new ATOM 465 N GLY A 31 -11.716 -11.074 4.479 1.00 0.00 N ATOM 466 CA GLY A 31 -12.350 -10.879 3.142 1.00 0.00 C ATOM 467 C GLY A 31 -12.652 -9.394 2.935 1.00 0.00 C ATOM 468 O GLY A 31 -13.510 -9.026 2.158 1.00 0.00 O ATOM 0 H GLY A 31 -10.701 -11.173 4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.686 -11.239 2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.269 -11.461 3.075 1.00 0.00 H new ATOM 472 N SER A 32 -11.955 -8.538 3.631 1.00 0.00 N ATOM 473 CA SER A 32 -12.204 -7.078 3.482 1.00 0.00 C ATOM 474 C SER A 32 -11.887 -6.633 2.055 1.00 0.00 C ATOM 475 O SER A 32 -10.987 -7.145 1.413 1.00 0.00 O ATOM 476 CB SER A 32 -11.316 -6.305 4.456 1.00 0.00 C ATOM 477 OG SER A 32 -11.620 -6.705 5.786 1.00 0.00 O ATOM 0 H SER A 32 -11.224 -8.788 4.297 1.00 0.00 H new ATOM 0 HA SER A 32 -13.253 -6.876 3.698 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.265 -6.495 4.238 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.477 -5.233 4.340 1.00 0.00 H new ATOM 0 HG SER A 32 -11.051 -6.213 6.414 1.00 0.00 H new ATOM 483 N MET A 33 -12.625 -5.671 1.563 1.00 0.00 N ATOM 484 CA MET A 33 -12.396 -5.149 0.181 1.00 0.00 C ATOM 485 C MET A 33 -11.920 -3.699 0.276 1.00 0.00 C ATOM 486 O MET A 33 -12.171 -3.021 1.252 1.00 0.00 O ATOM 487 CB MET A 33 -13.708 -5.200 -0.601 1.00 0.00 C ATOM 488 CG MET A 33 -14.078 -6.658 -0.879 1.00 0.00 C ATOM 489 SD MET A 33 -15.564 -6.723 -1.911 1.00 0.00 S ATOM 490 CE MET A 33 -14.748 -6.552 -3.521 1.00 0.00 C ATOM 0 H MET A 33 -13.387 -5.219 2.067 1.00 0.00 H new ATOM 0 HA MET A 33 -11.646 -5.755 -0.328 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.501 -4.714 -0.033 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.607 -4.654 -1.539 1.00 0.00 H new ATOM 0 HG2 MET A 33 -13.253 -7.164 -1.380 1.00 0.00 H new ATOM 0 HG3 MET A 33 -14.252 -7.185 0.059 1.00 0.00 H new ATOM 0 HE1 MET A 33 -15.480 -6.250 -4.270 1.00 0.00 H new ATOM 0 HE2 MET A 33 -13.965 -5.797 -3.454 1.00 0.00 H new ATOM 0 HE3 MET A 33 -14.308 -7.507 -3.809 1.00 0.00 H new ATOM 500 N VAL A 34 -11.233 -3.219 -0.730 1.00 0.00 N ATOM 501 CA VAL A 34 -10.729 -1.808 -0.712 1.00 0.00 C ATOM 502 C VAL A 34 -11.115 -1.115 -2.020 1.00 0.00 C ATOM 503 O VAL A 34 -11.415 -1.755 -3.009 1.00 0.00 O ATOM 504 CB VAL A 34 -9.207 -1.814 -0.562 1.00 0.00 C ATOM 505 CG1 VAL A 34 -8.839 -2.230 0.865 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.599 -2.810 -1.553 1.00 0.00 C ATOM 0 H VAL A 34 -10.997 -3.747 -1.570 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.172 -1.271 0.127 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.818 -0.816 -0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.755 -2.235 0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.272 -1.523 1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.228 -3.228 1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.514 -2.814 -1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.987 -3.808 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.862 -2.518 -2.570 1.00 0.00 H new ATOM 516 N TRP A 35 -11.122 0.190 -2.029 1.00 0.00 N ATOM 517 CA TRP A 35 -11.501 0.927 -3.268 1.00 0.00 C ATOM 518 C TRP A 35 -10.352 0.887 -4.276 1.00 0.00 C ATOM 519 O TRP A 35 -9.222 1.201 -3.958 1.00 0.00 O ATOM 520 CB TRP A 35 -11.805 2.383 -2.922 1.00 0.00 C ATOM 521 CG TRP A 35 -13.089 2.470 -2.161 1.00 0.00 C ATOM 522 CD1 TRP A 35 -13.202 2.372 -0.817 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.439 2.676 -2.671 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.530 2.517 -0.466 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.333 2.705 -1.575 1.00 0.00 C ATOM 526 CE3 TRP A 35 -14.968 2.842 -3.964 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.704 2.894 -1.755 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.348 3.029 -4.149 1.00 0.00 C ATOM 529 CH2 TRP A 35 -17.214 3.056 -3.046 1.00 0.00 C ATOM 0 H TRP A 35 -10.881 0.778 -1.231 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.382 0.454 -3.703 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.992 2.802 -2.329 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.872 2.976 -3.834 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.386 2.207 -0.129 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.875 2.489 0.493 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.309 2.826 -4.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.366 2.915 -0.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.744 3.153 -5.146 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -18.274 3.202 -3.194 1.00 0.00 H new ATOM 540 N SER A 36 -10.636 0.518 -5.495 1.00 0.00 N ATOM 541 CA SER A 36 -9.565 0.476 -6.527 1.00 0.00 C ATOM 542 C SER A 36 -9.137 1.910 -6.849 1.00 0.00 C ATOM 543 O SER A 36 -9.957 2.801 -6.950 1.00 0.00 O ATOM 544 CB SER A 36 -10.093 -0.204 -7.791 1.00 0.00 C ATOM 545 OG SER A 36 -9.055 -0.268 -8.761 1.00 0.00 O ATOM 0 H SER A 36 -11.563 0.244 -5.820 1.00 0.00 H new ATOM 0 HA SER A 36 -8.711 -0.090 -6.154 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.449 -1.207 -7.556 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.943 0.351 -8.188 1.00 0.00 H new ATOM 0 HG SER A 36 -9.391 -0.705 -9.571 1.00 0.00 H new ATOM 551 N ILE A 37 -7.857 2.138 -7.002 1.00 0.00 N ATOM 552 CA ILE A 37 -7.351 3.515 -7.307 1.00 0.00 C ATOM 553 C ILE A 37 -6.446 3.468 -8.536 1.00 0.00 C ATOM 554 O ILE A 37 -5.975 2.420 -8.932 1.00 0.00 O ATOM 555 CB ILE A 37 -6.537 4.027 -6.113 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.502 2.965 -5.697 1.00 0.00 C ATOM 557 CG2 ILE A 37 -7.477 4.316 -4.941 1.00 0.00 C ATOM 558 CD1 ILE A 37 -4.391 3.619 -4.867 1.00 0.00 C ATOM 0 H ILE A 37 -7.133 1.424 -6.928 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.196 4.177 -7.498 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.018 4.943 -6.395 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.987 2.179 -5.118 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.077 2.492 -6.582 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.899 4.680 -4.092 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.204 5.073 -5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.999 3.402 -4.659 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.662 2.863 -4.575 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.898 4.389 -5.461 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.822 4.071 -3.974 1.00 0.00 H new ATOM 570 N ASN A 38 -6.181 4.598 -9.131 1.00 0.00 N ATOM 571 CA ASN A 38 -5.287 4.621 -10.320 1.00 0.00 C ATOM 572 C ASN A 38 -3.850 4.695 -9.809 1.00 0.00 C ATOM 573 O ASN A 38 -3.499 5.568 -9.041 1.00 0.00 O ATOM 574 CB ASN A 38 -5.604 5.850 -11.178 1.00 0.00 C ATOM 575 CG ASN A 38 -4.869 5.749 -12.517 1.00 0.00 C ATOM 576 OD1 ASN A 38 -4.021 6.563 -12.821 1.00 0.00 O ATOM 577 ND2 ASN A 38 -5.161 4.775 -13.336 1.00 0.00 N ATOM 0 H ASN A 38 -6.546 5.506 -8.844 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.429 3.730 -10.932 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.679 5.920 -11.347 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.303 6.758 -10.655 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.677 4.698 -14.230 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.873 4.091 -13.081 1.00 0.00 H new ATOM 584 N LEU A 39 -3.020 3.772 -10.203 1.00 0.00 N ATOM 585 CA LEU A 39 -1.618 3.781 -9.707 1.00 0.00 C ATOM 586 C LEU A 39 -0.816 4.827 -10.486 1.00 0.00 C ATOM 587 O LEU A 39 -0.642 4.725 -11.684 1.00 0.00 O ATOM 588 CB LEU A 39 -0.994 2.392 -9.909 1.00 0.00 C ATOM 589 CG LEU A 39 -1.644 1.346 -8.975 1.00 0.00 C ATOM 590 CD1 LEU A 39 -1.371 1.683 -7.499 1.00 0.00 C ATOM 591 CD2 LEU A 39 -3.161 1.281 -9.215 1.00 0.00 C ATOM 0 H LEU A 39 -3.251 3.014 -10.845 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.604 4.029 -8.646 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.117 2.083 -10.947 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.078 2.440 -9.715 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.202 0.376 -9.201 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.839 0.932 -6.862 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.296 1.691 -7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.785 2.664 -7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.603 0.540 -8.549 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.603 2.257 -9.016 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.354 1.000 -10.250 1.00 0.00 H new ATOM 603 N THR A 40 -0.334 5.845 -9.813 1.00 0.00 N ATOM 604 CA THR A 40 0.448 6.914 -10.507 1.00 0.00 C ATOM 605 C THR A 40 1.572 7.426 -9.595 1.00 0.00 C ATOM 606 O THR A 40 2.484 6.701 -9.251 1.00 0.00 O ATOM 607 CB THR A 40 -0.488 8.072 -10.862 1.00 0.00 C ATOM 608 OG1 THR A 40 -1.104 8.560 -9.678 1.00 0.00 O ATOM 609 CG2 THR A 40 -1.563 7.583 -11.833 1.00 0.00 C ATOM 0 H THR A 40 -0.450 5.981 -8.809 1.00 0.00 H new ATOM 0 HA THR A 40 0.890 6.502 -11.414 1.00 0.00 H new ATOM 0 HB THR A 40 0.085 8.872 -11.331 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.702 9.303 -9.903 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.229 8.409 -12.085 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.090 7.208 -12.741 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.138 6.783 -11.367 1.00 0.00 H new ATOM 617 N ALA A 41 1.526 8.682 -9.222 1.00 0.00 N ATOM 618 CA ALA A 41 2.601 9.260 -8.354 1.00 0.00 C ATOM 619 C ALA A 41 2.258 9.101 -6.865 1.00 0.00 C ATOM 620 O ALA A 41 2.795 8.250 -6.185 1.00 0.00 O ATOM 621 CB ALA A 41 2.756 10.747 -8.678 1.00 0.00 C ATOM 0 H ALA A 41 0.787 9.335 -9.482 1.00 0.00 H new ATOM 0 HA ALA A 41 3.530 8.726 -8.551 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.537 11.177 -8.051 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.028 10.864 -9.727 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.814 11.261 -8.488 1.00 0.00 H new ATOM 627 N GLY A 42 1.394 9.940 -6.350 1.00 0.00 N ATOM 628 CA GLY A 42 1.032 9.874 -4.896 1.00 0.00 C ATOM 629 C GLY A 42 0.345 8.544 -4.558 1.00 0.00 C ATOM 630 O GLY A 42 -0.620 8.505 -3.821 1.00 0.00 O ATOM 0 H GLY A 42 0.919 10.674 -6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.930 9.988 -4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.370 10.703 -4.645 1.00 0.00 H new ATOM 634 N MET A 43 0.833 7.459 -5.086 1.00 0.00 N ATOM 635 CA MET A 43 0.213 6.133 -4.797 1.00 0.00 C ATOM 636 C MET A 43 0.292 5.828 -3.301 1.00 0.00 C ATOM 637 O MET A 43 -0.625 5.283 -2.719 1.00 0.00 O ATOM 638 CB MET A 43 0.973 5.052 -5.550 1.00 0.00 C ATOM 639 CG MET A 43 0.763 5.249 -7.044 1.00 0.00 C ATOM 640 SD MET A 43 1.521 3.880 -7.954 1.00 0.00 S ATOM 641 CE MET A 43 3.216 4.129 -7.381 1.00 0.00 C ATOM 0 H MET A 43 1.640 7.431 -5.710 1.00 0.00 H new ATOM 0 HA MET A 43 -0.831 6.156 -5.110 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.035 5.101 -5.309 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.623 4.065 -5.247 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.303 5.301 -7.267 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.201 6.195 -7.361 1.00 0.00 H new ATOM 0 HE1 MET A 43 3.912 3.749 -8.129 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.395 5.193 -7.226 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.365 3.596 -6.442 1.00 0.00 H new ATOM 651 N TYR A 44 1.392 6.153 -2.678 1.00 0.00 N ATOM 652 CA TYR A 44 1.540 5.855 -1.227 1.00 0.00 C ATOM 653 C TYR A 44 0.421 6.543 -0.450 1.00 0.00 C ATOM 654 O TYR A 44 -0.226 5.946 0.388 1.00 0.00 O ATOM 655 CB TYR A 44 2.890 6.383 -0.741 1.00 0.00 C ATOM 656 CG TYR A 44 4.002 5.547 -1.328 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.570 5.903 -2.557 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.465 4.416 -0.644 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.601 5.128 -3.102 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.496 3.642 -1.190 1.00 0.00 C ATOM 661 CZ TYR A 44 6.064 3.998 -2.419 1.00 0.00 C ATOM 662 OH TYR A 44 7.080 3.234 -2.955 1.00 0.00 O ATOM 0 H TYR A 44 2.193 6.612 -3.112 1.00 0.00 H new ATOM 0 HA TYR A 44 1.486 4.778 -1.067 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.011 7.426 -1.035 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.934 6.352 0.348 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.213 6.775 -3.085 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.027 4.141 0.304 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.039 5.403 -4.050 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.853 2.770 -0.663 1.00 0.00 H new ATOM 0 HH TYR A 44 7.667 3.803 -3.495 1.00 0.00 H new ATOM 672 N CYS A 45 0.179 7.793 -0.723 1.00 0.00 N ATOM 673 CA CYS A 45 -0.906 8.508 -0.003 1.00 0.00 C ATOM 674 C CYS A 45 -2.261 7.935 -0.434 1.00 0.00 C ATOM 675 O CYS A 45 -3.098 7.620 0.387 1.00 0.00 O ATOM 676 CB CYS A 45 -0.834 10.001 -0.327 1.00 0.00 C ATOM 677 SG CYS A 45 0.664 10.700 0.416 1.00 0.00 S ATOM 0 H CYS A 45 0.685 8.349 -1.412 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.789 8.375 1.072 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.823 10.151 -1.407 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.717 10.512 0.057 1.00 0.00 H new ATOM 682 N ALA A 46 -2.482 7.789 -1.717 1.00 0.00 N ATOM 683 CA ALA A 46 -3.781 7.227 -2.195 1.00 0.00 C ATOM 684 C ALA A 46 -3.958 5.805 -1.652 1.00 0.00 C ATOM 685 O ALA A 46 -4.998 5.445 -1.132 1.00 0.00 O ATOM 686 CB ALA A 46 -3.787 7.185 -3.724 1.00 0.00 C ATOM 0 H ALA A 46 -1.819 8.035 -2.453 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.597 7.857 -1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.735 6.775 -4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.662 8.194 -4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.969 6.556 -4.074 1.00 0.00 H new ATOM 692 N ALA A 47 -2.952 4.990 -1.775 1.00 0.00 N ATOM 693 CA ALA A 47 -3.062 3.596 -1.268 1.00 0.00 C ATOM 694 C ALA A 47 -3.257 3.615 0.249 1.00 0.00 C ATOM 695 O ALA A 47 -3.993 2.822 0.802 1.00 0.00 O ATOM 696 CB ALA A 47 -1.785 2.824 -1.611 1.00 0.00 C ATOM 0 H ALA A 47 -2.058 5.228 -2.204 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.917 3.108 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.866 1.803 -1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.650 2.807 -2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.929 3.312 -1.146 1.00 0.00 H new ATOM 702 N LEU A 48 -2.583 4.502 0.929 1.00 0.00 N ATOM 703 CA LEU A 48 -2.706 4.558 2.414 1.00 0.00 C ATOM 704 C LEU A 48 -4.154 4.830 2.830 1.00 0.00 C ATOM 705 O LEU A 48 -4.695 4.139 3.666 1.00 0.00 O ATOM 706 CB LEU A 48 -1.797 5.674 2.950 1.00 0.00 C ATOM 707 CG LEU A 48 -1.921 5.788 4.479 1.00 0.00 C ATOM 708 CD1 LEU A 48 -1.514 4.464 5.144 1.00 0.00 C ATOM 709 CD2 LEU A 48 -0.997 6.909 4.967 1.00 0.00 C ATOM 0 H LEU A 48 -1.952 5.191 0.520 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.405 3.597 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.762 5.469 2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.066 6.623 2.486 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.955 6.011 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.606 4.557 6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.166 3.665 4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.481 4.230 4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.076 7.000 6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.033 6.675 4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.290 7.850 4.502 1.00 0.00 H new ATOM 721 N GLU A 49 -4.789 5.826 2.271 1.00 0.00 N ATOM 722 CA GLU A 49 -6.196 6.117 2.679 1.00 0.00 C ATOM 723 C GLU A 49 -7.088 4.908 2.398 1.00 0.00 C ATOM 724 O GLU A 49 -7.995 4.615 3.150 1.00 0.00 O ATOM 725 CB GLU A 49 -6.729 7.342 1.929 1.00 0.00 C ATOM 726 CG GLU A 49 -6.473 7.194 0.433 1.00 0.00 C ATOM 727 CD GLU A 49 -7.165 8.334 -0.315 1.00 0.00 C ATOM 728 OE1 GLU A 49 -8.043 8.950 0.266 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.804 8.572 -1.456 1.00 0.00 O ATOM 0 H GLU A 49 -4.401 6.444 1.558 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.208 6.327 3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.797 7.454 2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.245 8.245 2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.402 7.210 0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.848 6.233 0.082 1.00 0.00 H new ATOM 736 N SER A 50 -6.849 4.199 1.331 1.00 0.00 N ATOM 737 CA SER A 50 -7.705 3.017 1.038 1.00 0.00 C ATOM 738 C SER A 50 -7.583 2.007 2.185 1.00 0.00 C ATOM 739 O SER A 50 -8.555 1.414 2.608 1.00 0.00 O ATOM 740 CB SER A 50 -7.243 2.364 -0.265 1.00 0.00 C ATOM 741 OG SER A 50 -7.461 3.263 -1.343 1.00 0.00 O ATOM 0 H SER A 50 -6.107 4.384 0.656 1.00 0.00 H new ATOM 0 HA SER A 50 -8.743 3.334 0.937 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.186 2.105 -0.201 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.789 1.436 -0.434 1.00 0.00 H new ATOM 0 HG SER A 50 -6.761 3.949 -1.344 1.00 0.00 H new ATOM 747 N LEU A 51 -6.395 1.810 2.692 1.00 0.00 N ATOM 748 CA LEU A 51 -6.207 0.844 3.813 1.00 0.00 C ATOM 749 C LEU A 51 -6.840 1.399 5.097 1.00 0.00 C ATOM 750 O LEU A 51 -7.324 0.658 5.930 1.00 0.00 O ATOM 751 CB LEU A 51 -4.711 0.610 4.042 1.00 0.00 C ATOM 752 CG LEU A 51 -4.113 -0.169 2.858 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.587 -0.200 2.999 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.663 -1.611 2.822 1.00 0.00 C ATOM 0 H LEU A 51 -5.545 2.278 2.377 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.690 -0.099 3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.198 1.565 4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.559 0.055 4.967 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.391 0.328 1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.155 -0.751 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.201 0.819 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.318 -0.691 3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.228 -2.145 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.403 -2.123 3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.747 -1.584 2.715 1.00 0.00 H new ATOM 766 N ILE A 52 -6.836 2.696 5.268 1.00 0.00 N ATOM 767 CA ILE A 52 -7.433 3.287 6.504 1.00 0.00 C ATOM 768 C ILE A 52 -8.862 2.762 6.677 1.00 0.00 C ATOM 769 O ILE A 52 -9.381 2.712 7.775 1.00 0.00 O ATOM 770 CB ILE A 52 -7.438 4.826 6.399 1.00 0.00 C ATOM 771 CG1 ILE A 52 -6.000 5.376 6.490 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.287 5.438 7.517 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.317 4.965 7.807 1.00 0.00 C ATOM 0 H ILE A 52 -6.447 3.370 4.608 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.838 2.999 7.371 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.867 5.098 5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.416 5.009 5.647 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.020 6.463 6.414 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.279 6.524 7.427 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.312 5.075 7.436 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.876 5.151 8.485 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.306 5.371 7.835 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.888 5.355 8.650 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.273 3.878 7.870 1.00 0.00 H new ATOM 785 N ASN A 53 -9.501 2.361 5.612 1.00 0.00 N ATOM 786 CA ASN A 53 -10.891 1.831 5.738 1.00 0.00 C ATOM 787 C ASN A 53 -10.834 0.357 6.148 1.00 0.00 C ATOM 788 O ASN A 53 -11.833 -0.238 6.501 1.00 0.00 O ATOM 789 CB ASN A 53 -11.617 1.954 4.395 1.00 0.00 C ATOM 790 CG ASN A 53 -11.917 3.424 4.110 1.00 0.00 C ATOM 791 OD1 ASN A 53 -12.105 4.202 5.023 1.00 0.00 O ATOM 792 ND2 ASN A 53 -11.972 3.839 2.873 1.00 0.00 N ATOM 0 H ASN A 53 -9.124 2.377 4.664 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.429 2.405 6.493 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.002 1.536 3.598 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.544 1.380 4.417 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.173 4.819 2.672 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.814 3.184 2.108 1.00 0.00 H new ATOM 799 N VAL A 54 -9.670 -0.240 6.104 1.00 0.00 N ATOM 800 CA VAL A 54 -9.543 -1.679 6.489 1.00 0.00 C ATOM 801 C VAL A 54 -9.204 -1.793 7.979 1.00 0.00 C ATOM 802 O VAL A 54 -8.218 -1.254 8.442 1.00 0.00 O ATOM 803 CB VAL A 54 -8.430 -2.333 5.669 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.368 -3.826 5.995 1.00 0.00 C ATOM 805 CG2 VAL A 54 -8.721 -2.149 4.177 1.00 0.00 C ATOM 0 H VAL A 54 -8.800 0.208 5.817 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.489 -2.183 6.293 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.476 -1.867 5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.575 -4.293 5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.163 -3.958 7.057 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.322 -4.292 5.749 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.928 -2.615 3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.675 -2.616 3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.767 -1.085 3.944 1.00 0.00 H new ATOM 815 N SER A 55 -10.016 -2.498 8.728 1.00 0.00 N ATOM 816 CA SER A 55 -9.761 -2.672 10.196 1.00 0.00 C ATOM 817 C SER A 55 -9.818 -4.160 10.547 1.00 0.00 C ATOM 818 O SER A 55 -10.446 -4.946 9.864 1.00 0.00 O ATOM 819 CB SER A 55 -10.829 -1.923 10.994 1.00 0.00 C ATOM 820 OG SER A 55 -10.613 -0.524 10.869 1.00 0.00 O ATOM 0 H SER A 55 -10.854 -2.966 8.383 1.00 0.00 H new ATOM 0 HA SER A 55 -8.777 -2.273 10.443 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.822 -2.183 10.628 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.788 -2.217 12.043 1.00 0.00 H new ATOM 0 HG SER A 55 -11.297 -0.041 11.378 1.00 0.00 H new ATOM 826 N GLY A 56 -9.163 -4.557 11.606 1.00 0.00 N ATOM 827 CA GLY A 56 -9.176 -5.996 12.000 1.00 0.00 C ATOM 828 C GLY A 56 -8.084 -6.743 11.233 1.00 0.00 C ATOM 829 O GLY A 56 -8.216 -7.910 10.922 1.00 0.00 O ATOM 0 H GLY A 56 -8.619 -3.946 12.215 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.012 -6.092 13.073 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.151 -6.434 11.786 1.00 0.00 H new ATOM 833 N CYS A 57 -7.002 -6.075 10.921 1.00 0.00 N ATOM 834 CA CYS A 57 -5.893 -6.737 10.169 1.00 0.00 C ATOM 835 C CYS A 57 -4.545 -6.224 10.691 1.00 0.00 C ATOM 836 O CYS A 57 -4.045 -5.205 10.261 1.00 0.00 O ATOM 837 CB CYS A 57 -6.032 -6.408 8.680 1.00 0.00 C ATOM 838 SG CYS A 57 -7.670 -6.919 8.103 1.00 0.00 S ATOM 0 H CYS A 57 -6.839 -5.096 11.156 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.943 -7.817 10.309 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.894 -5.339 8.518 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.257 -6.920 8.109 1.00 0.00 H new ATOM 843 N SER A 58 -3.961 -6.923 11.625 1.00 0.00 N ATOM 844 CA SER A 58 -2.647 -6.488 12.189 1.00 0.00 C ATOM 845 C SER A 58 -1.533 -6.664 11.150 1.00 0.00 C ATOM 846 O SER A 58 -0.612 -5.876 11.070 1.00 0.00 O ATOM 847 CB SER A 58 -2.320 -7.337 13.416 1.00 0.00 C ATOM 848 OG SER A 58 -1.024 -6.995 13.889 1.00 0.00 O ATOM 0 H SER A 58 -4.338 -7.782 12.025 1.00 0.00 H new ATOM 0 HA SER A 58 -2.714 -5.436 12.464 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.061 -7.169 14.197 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.360 -8.396 13.161 1.00 0.00 H new ATOM 0 HG SER A 58 -0.810 -7.536 14.677 1.00 0.00 H new ATOM 854 N ALA A 59 -1.595 -7.715 10.381 1.00 0.00 N ATOM 855 CA ALA A 59 -0.529 -7.985 9.370 1.00 0.00 C ATOM 856 C ALA A 59 -0.247 -6.755 8.497 1.00 0.00 C ATOM 857 O ALA A 59 0.811 -6.650 7.908 1.00 0.00 O ATOM 858 CB ALA A 59 -0.972 -9.142 8.475 1.00 0.00 C ATOM 0 H ALA A 59 -2.345 -8.406 10.408 1.00 0.00 H new ATOM 0 HA ALA A 59 0.387 -8.237 9.904 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.199 -9.345 7.734 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.134 -10.031 9.084 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.899 -8.875 7.968 1.00 0.00 H new ATOM 864 N ILE A 60 -1.172 -5.830 8.392 1.00 0.00 N ATOM 865 CA ILE A 60 -0.935 -4.617 7.534 1.00 0.00 C ATOM 866 C ILE A 60 -0.654 -3.383 8.400 1.00 0.00 C ATOM 867 O ILE A 60 -0.283 -2.343 7.898 1.00 0.00 O ATOM 868 CB ILE A 60 -2.162 -4.371 6.643 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.408 -4.138 7.499 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.393 -5.589 5.746 1.00 0.00 C ATOM 871 CD1 ILE A 60 -4.551 -3.658 6.603 1.00 0.00 C ATOM 0 H ILE A 60 -2.078 -5.859 8.860 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.062 -4.796 6.907 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.978 -3.486 6.034 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.691 -5.059 8.008 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.200 -3.398 8.271 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.264 -5.415 5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.516 -5.751 5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.564 -6.470 6.365 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.442 -3.490 7.208 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.264 -2.727 6.114 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.763 -4.414 5.847 1.00 0.00 H new ATOM 883 N GLU A 61 -0.815 -3.475 9.692 1.00 0.00 N ATOM 884 CA GLU A 61 -0.537 -2.282 10.542 1.00 0.00 C ATOM 885 C GLU A 61 0.925 -1.866 10.361 1.00 0.00 C ATOM 886 O GLU A 61 1.230 -0.700 10.216 1.00 0.00 O ATOM 887 CB GLU A 61 -0.820 -2.613 12.008 1.00 0.00 C ATOM 888 CG GLU A 61 -2.334 -2.658 12.228 1.00 0.00 C ATOM 889 CD GLU A 61 -2.634 -3.105 13.659 1.00 0.00 C ATOM 890 OE1 GLU A 61 -1.707 -3.519 14.336 1.00 0.00 O ATOM 891 OE2 GLU A 61 -3.786 -3.026 14.055 1.00 0.00 O ATOM 0 H GLU A 61 -1.122 -4.311 10.190 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.183 -1.457 10.243 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.373 -3.572 12.270 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.368 -1.863 12.657 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.767 -1.674 12.046 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.794 -3.345 11.518 1.00 0.00 H new ATOM 898 N LYS A 62 1.832 -2.803 10.335 1.00 0.00 N ATOM 899 CA LYS A 62 3.258 -2.429 10.121 1.00 0.00 C ATOM 900 C LYS A 62 3.381 -1.784 8.741 1.00 0.00 C ATOM 901 O LYS A 62 4.079 -0.808 8.553 1.00 0.00 O ATOM 902 CB LYS A 62 4.147 -3.673 10.210 1.00 0.00 C ATOM 903 CG LYS A 62 4.185 -4.157 11.661 1.00 0.00 C ATOM 904 CD LYS A 62 5.070 -5.402 11.774 1.00 0.00 C ATOM 905 CE LYS A 62 5.098 -5.872 13.230 1.00 0.00 C ATOM 906 NZ LYS A 62 5.726 -7.221 13.309 1.00 0.00 N ATOM 0 H LYS A 62 1.651 -3.800 10.451 1.00 0.00 H new ATOM 0 HA LYS A 62 3.583 -1.727 10.889 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.760 -4.459 9.561 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.154 -3.441 9.864 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.570 -3.367 12.307 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.176 -4.386 12.003 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.686 -6.194 11.131 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.080 -5.176 11.433 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.657 -5.163 13.841 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.085 -5.908 13.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.744 -7.538 14.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.175 -7.894 12.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.698 -7.173 12.943 1.00 0.00 H new ATOM 920 N THR A 63 2.683 -2.321 7.778 1.00 0.00 N ATOM 921 CA THR A 63 2.723 -1.749 6.404 1.00 0.00 C ATOM 922 C THR A 63 2.233 -0.299 6.442 1.00 0.00 C ATOM 923 O THR A 63 2.734 0.554 5.738 1.00 0.00 O ATOM 924 CB THR A 63 1.822 -2.572 5.479 1.00 0.00 C ATOM 925 OG1 THR A 63 2.284 -3.915 5.447 1.00 0.00 O ATOM 926 CG2 THR A 63 1.860 -1.984 4.069 1.00 0.00 C ATOM 0 H THR A 63 2.082 -3.138 7.886 1.00 0.00 H new ATOM 0 HA THR A 63 3.746 -1.777 6.028 1.00 0.00 H new ATOM 0 HB THR A 63 0.798 -2.547 5.851 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.708 -4.445 4.857 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.218 -2.571 3.412 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.507 -0.953 4.095 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.883 -2.007 3.692 1.00 0.00 H new ATOM 934 N GLN A 64 1.244 -0.019 7.247 1.00 0.00 N ATOM 935 CA GLN A 64 0.707 1.372 7.313 1.00 0.00 C ATOM 936 C GLN A 64 1.812 2.336 7.747 1.00 0.00 C ATOM 937 O GLN A 64 1.933 3.425 7.222 1.00 0.00 O ATOM 938 CB GLN A 64 -0.428 1.427 8.340 1.00 0.00 C ATOM 939 CG GLN A 64 -1.643 0.667 7.808 1.00 0.00 C ATOM 940 CD GLN A 64 -2.293 1.467 6.680 1.00 0.00 C ATOM 941 OE1 GLN A 64 -2.998 2.425 6.928 1.00 0.00 O ATOM 942 NE2 GLN A 64 -2.080 1.116 5.441 1.00 0.00 N ATOM 0 H GLN A 64 0.785 -0.692 7.861 1.00 0.00 H new ATOM 0 HA GLN A 64 0.338 1.659 6.329 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.099 0.991 9.283 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.696 2.464 8.544 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.340 -0.315 7.444 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.361 0.501 8.611 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.488 0.312 5.233 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.505 1.646 4.680 1.00 0.00 H new ATOM 951 N ARG A 65 2.620 1.956 8.698 1.00 0.00 N ATOM 952 CA ARG A 65 3.706 2.872 9.144 1.00 0.00 C ATOM 953 C ARG A 65 4.690 3.097 7.993 1.00 0.00 C ATOM 954 O ARG A 65 5.084 4.212 7.715 1.00 0.00 O ATOM 955 CB ARG A 65 4.444 2.256 10.343 1.00 0.00 C ATOM 956 CG ARG A 65 5.428 3.273 10.955 1.00 0.00 C ATOM 957 CD ARG A 65 4.697 4.216 11.923 1.00 0.00 C ATOM 958 NE ARG A 65 5.648 5.249 12.422 1.00 0.00 N ATOM 959 CZ ARG A 65 5.195 6.323 13.009 1.00 0.00 C ATOM 960 NH1 ARG A 65 3.910 6.493 13.158 1.00 0.00 N ATOM 961 NH2 ARG A 65 6.027 7.229 13.447 1.00 0.00 N ATOM 0 H ARG A 65 2.576 1.059 9.182 1.00 0.00 H new ATOM 0 HA ARG A 65 3.273 3.827 9.442 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.723 1.940 11.097 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.985 1.364 10.025 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.223 2.746 11.483 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.901 3.852 10.162 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.857 4.693 11.418 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.287 3.650 12.759 1.00 0.00 H new ATOM 0 HE ARG A 65 6.653 5.117 12.305 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.259 5.786 12.816 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.556 7.333 13.617 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.032 7.098 13.330 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.672 8.068 13.906 1.00 0.00 H new ATOM 975 N MET A 66 5.096 2.051 7.322 1.00 0.00 N ATOM 976 CA MET A 66 6.058 2.225 6.198 1.00 0.00 C ATOM 977 C MET A 66 5.419 3.084 5.103 1.00 0.00 C ATOM 978 O MET A 66 6.053 3.951 4.536 1.00 0.00 O ATOM 979 CB MET A 66 6.445 0.856 5.628 1.00 0.00 C ATOM 980 CG MET A 66 7.159 0.031 6.706 1.00 0.00 C ATOM 981 SD MET A 66 8.101 -1.308 5.928 1.00 0.00 S ATOM 982 CE MET A 66 6.729 -2.464 5.686 1.00 0.00 C ATOM 0 H MET A 66 4.804 1.090 7.503 1.00 0.00 H new ATOM 0 HA MET A 66 6.955 2.722 6.566 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.555 0.330 5.284 1.00 0.00 H new ATOM 0 HB3 MET A 66 7.095 0.982 4.763 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.827 0.670 7.284 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.430 -0.382 7.404 1.00 0.00 H new ATOM 0 HE1 MET A 66 7.047 -3.273 5.028 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.427 -2.877 6.649 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.886 -1.939 5.235 1.00 0.00 H new ATOM 992 N LEU A 67 4.164 2.863 4.809 1.00 0.00 N ATOM 993 CA LEU A 67 3.491 3.683 3.760 1.00 0.00 C ATOM 994 C LEU A 67 3.487 5.144 4.207 1.00 0.00 C ATOM 995 O LEU A 67 3.700 6.048 3.423 1.00 0.00 O ATOM 996 CB LEU A 67 2.046 3.210 3.574 1.00 0.00 C ATOM 997 CG LEU A 67 2.013 1.825 2.908 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.582 1.282 2.967 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.465 1.920 1.436 1.00 0.00 C ATOM 0 H LEU A 67 3.578 2.153 5.248 1.00 0.00 H new ATOM 0 HA LEU A 67 4.025 3.577 2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.544 3.167 4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.499 3.927 2.962 1.00 0.00 H new ATOM 0 HG LEU A 67 2.693 1.158 3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.546 0.299 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.267 1.199 4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.087 1.961 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.435 0.930 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.797 2.589 0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.482 2.309 1.392 1.00 0.00 H new ATOM 1011 N SER A 68 3.253 5.378 5.468 1.00 0.00 N ATOM 1012 CA SER A 68 3.239 6.774 5.979 1.00 0.00 C ATOM 1013 C SER A 68 4.607 7.403 5.726 1.00 0.00 C ATOM 1014 O SER A 68 4.714 8.556 5.357 1.00 0.00 O ATOM 1015 CB SER A 68 2.944 6.767 7.479 1.00 0.00 C ATOM 1016 OG SER A 68 1.591 6.382 7.688 1.00 0.00 O ATOM 0 H SER A 68 3.070 4.659 6.168 1.00 0.00 H new ATOM 0 HA SER A 68 2.467 7.350 5.468 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.614 6.076 7.990 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.123 7.756 7.901 1.00 0.00 H new ATOM 0 HG SER A 68 1.505 5.413 7.572 1.00 0.00 H new ATOM 1022 N GLY A 69 5.657 6.652 5.918 1.00 0.00 N ATOM 1023 CA GLY A 69 7.020 7.206 5.683 1.00 0.00 C ATOM 1024 C GLY A 69 7.058 7.883 4.310 1.00 0.00 C ATOM 1025 O GLY A 69 7.787 8.831 4.095 1.00 0.00 O ATOM 0 H GLY A 69 5.630 5.680 6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.273 7.924 6.463 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.763 6.409 5.730 1.00 0.00 H new ATOM 1029 N PHE A 70 6.269 7.408 3.379 1.00 0.00 N ATOM 1030 CA PHE A 70 6.246 8.028 2.017 1.00 0.00 C ATOM 1031 C PHE A 70 5.079 9.016 1.929 1.00 0.00 C ATOM 1032 O PHE A 70 4.878 9.664 0.922 1.00 0.00 O ATOM 1033 CB PHE A 70 6.045 6.939 0.962 1.00 0.00 C ATOM 1034 CG PHE A 70 7.187 5.956 1.010 1.00 0.00 C ATOM 1035 CD1 PHE A 70 8.372 6.229 0.320 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.057 4.767 1.737 1.00 0.00 C ATOM 1037 CE1 PHE A 70 9.430 5.314 0.357 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.114 3.852 1.776 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.301 4.125 1.085 1.00 0.00 C ATOM 0 H PHE A 70 5.638 6.616 3.503 1.00 0.00 H new ATOM 0 HA PHE A 70 7.189 8.545 1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.102 6.422 1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.983 7.389 -0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.471 7.146 -0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.140 4.556 2.268 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.346 5.525 -0.176 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.015 2.935 2.339 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.117 3.418 1.114 1.00 0.00 H new ATOM 1049 N CYS A 71 4.300 9.123 2.976 1.00 0.00 N ATOM 1050 CA CYS A 71 3.127 10.054 2.967 1.00 0.00 C ATOM 1051 C CYS A 71 3.071 10.803 4.310 1.00 0.00 C ATOM 1052 O CYS A 71 2.324 10.429 5.192 1.00 0.00 O ATOM 1053 CB CYS A 71 1.849 9.231 2.791 1.00 0.00 C ATOM 1054 SG CYS A 71 0.466 10.330 2.395 1.00 0.00 S ATOM 0 H CYS A 71 4.426 8.602 3.844 1.00 0.00 H new ATOM 0 HA CYS A 71 3.221 10.772 2.152 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.983 8.498 1.995 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.634 8.675 3.704 1.00 0.00 H new ATOM 1059 N PRO A 72 3.866 11.839 4.482 1.00 0.00 N ATOM 1060 CA PRO A 72 3.882 12.599 5.769 1.00 0.00 C ATOM 1061 C PRO A 72 2.488 13.046 6.240 1.00 0.00 C ATOM 1062 O PRO A 72 2.286 13.308 7.409 1.00 0.00 O ATOM 1063 CB PRO A 72 4.778 13.801 5.424 1.00 0.00 C ATOM 1064 CG PRO A 72 5.569 13.442 4.157 1.00 0.00 C ATOM 1065 CD PRO A 72 4.800 12.331 3.425 1.00 0.00 C ATOM 0 HA PRO A 72 4.240 11.996 6.603 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.174 14.693 5.259 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.456 14.023 6.249 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.681 14.316 3.516 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.573 13.106 4.415 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.265 12.712 2.555 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.464 11.543 3.070 1.00 0.00 H new ATOM 1073 N HIS A 73 1.527 13.136 5.353 1.00 0.00 N ATOM 1074 CA HIS A 73 0.156 13.569 5.779 1.00 0.00 C ATOM 1075 C HIS A 73 -0.706 12.330 6.070 1.00 0.00 C ATOM 1076 O HIS A 73 -1.067 11.582 5.183 1.00 0.00 O ATOM 1077 CB HIS A 73 -0.476 14.450 4.677 1.00 0.00 C ATOM 1078 CG HIS A 73 -1.101 13.615 3.587 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -2.443 13.268 3.603 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -0.587 13.070 2.438 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -2.689 12.548 2.493 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -1.592 12.398 1.748 1.00 0.00 N ATOM 0 H HIS A 73 1.629 12.930 4.359 1.00 0.00 H new ATOM 0 HA HIS A 73 0.218 14.162 6.691 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.233 15.098 5.118 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.287 15.098 4.247 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -3.121 13.514 4.325 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.441 13.150 2.117 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.656 12.141 2.236 1.00 0.00 H new ATOM 1090 N LYS A 74 -1.025 12.104 7.317 1.00 0.00 N ATOM 1091 CA LYS A 74 -1.851 10.915 7.676 1.00 0.00 C ATOM 1092 C LYS A 74 -3.313 11.178 7.321 1.00 0.00 C ATOM 1093 O LYS A 74 -3.815 12.272 7.488 1.00 0.00 O ATOM 1094 CB LYS A 74 -1.743 10.649 9.184 1.00 0.00 C ATOM 1095 CG LYS A 74 -0.317 10.195 9.548 1.00 0.00 C ATOM 1096 CD LYS A 74 -0.152 8.676 9.311 1.00 0.00 C ATOM 1097 CE LYS A 74 -0.534 7.900 10.576 1.00 0.00 C ATOM 1098 NZ LYS A 74 -0.388 6.438 10.324 1.00 0.00 N ATOM 0 H LYS A 74 -0.749 12.692 8.103 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.489 10.049 7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.996 11.553 9.738 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.461 9.883 9.477 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.409 10.743 8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.110 10.430 10.592 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.780 8.360 8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.879 8.453 9.036 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.103 8.202 11.407 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.561 8.130 10.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.004 5.977 11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.319 6.029 10.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.253 6.287 9.519 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.004 10.173 6.844 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.446 10.340 6.484 1.00 0.00 C ATOM 1114 C VAL A 75 -6.302 9.641 7.540 1.00 0.00 C ATOM 1115 O VAL A 75 -6.075 8.497 7.881 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.706 9.717 5.109 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -7.184 9.890 4.743 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -4.830 10.414 4.060 1.00 0.00 C ATOM 0 H VAL A 75 -3.629 9.238 6.687 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.700 11.399 6.447 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.462 8.655 5.136 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.371 9.447 3.765 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.804 9.395 5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.430 10.952 4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.014 9.972 3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.074 11.476 4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.779 10.290 4.323 1.00 0.00 H new ATOM 1128 N SER A 76 -7.279 10.326 8.071 1.00 0.00 N ATOM 1129 CA SER A 76 -8.147 9.713 9.120 1.00 0.00 C ATOM 1130 C SER A 76 -9.331 9.004 8.463 1.00 0.00 C ATOM 1131 O SER A 76 -9.568 9.130 7.278 1.00 0.00 O ATOM 1132 CB SER A 76 -8.672 10.807 10.051 1.00 0.00 C ATOM 1133 OG SER A 76 -9.701 11.531 9.390 1.00 0.00 O ATOM 0 H SER A 76 -7.515 11.287 7.823 1.00 0.00 H new ATOM 0 HA SER A 76 -7.562 8.992 9.691 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.055 10.365 10.971 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.862 11.480 10.334 1.00 0.00 H new ATOM 0 HG SER A 76 -10.041 12.232 9.984 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.069 8.251 9.230 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.237 7.519 8.665 1.00 0.00 C ATOM 1141 C ALA A 77 -12.237 8.512 8.070 1.00 0.00 C ATOM 1142 O ALA A 77 -12.810 8.272 7.030 1.00 0.00 O ATOM 1143 CB ALA A 77 -11.911 6.712 9.776 1.00 0.00 C ATOM 0 H ALA A 77 -9.913 8.110 10.228 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.896 6.846 7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.767 6.174 9.367 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.199 5.999 10.191 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.249 7.387 10.562 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.457 9.623 8.715 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.425 10.616 8.166 1.00 0.00 C ATOM 1151 C GLY A 78 -12.751 11.444 7.068 1.00 0.00 C ATOM 1152 O GLY A 78 -13.406 12.107 6.289 1.00 0.00 O ATOM 0 H GLY A 78 -12.012 9.887 9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.298 10.102 7.763 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.780 11.271 8.962 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.443 11.413 6.996 1.00 0.00 N ATOM 1157 CA GLN A 79 -10.722 12.200 5.946 1.00 0.00 C ATOM 1158 C GLN A 79 -10.400 11.297 4.750 1.00 0.00 C ATOM 1159 O GLN A 79 -9.833 10.234 4.904 1.00 0.00 O ATOM 1160 CB GLN A 79 -9.421 12.748 6.532 1.00 0.00 C ATOM 1161 CG GLN A 79 -9.742 13.840 7.555 1.00 0.00 C ATOM 1162 CD GLN A 79 -8.466 14.236 8.302 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -7.506 13.491 8.328 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -8.415 15.388 8.914 1.00 0.00 N ATOM 0 H GLN A 79 -10.842 10.875 7.620 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.354 13.024 5.614 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.857 11.945 7.006 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.794 13.152 5.738 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.166 14.710 7.053 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.492 13.482 8.260 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.221 16.013 8.892 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.570 15.663 9.414 1.00 0.00 H new ATOM 1173 N PHE A 80 -10.759 11.715 3.559 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.479 10.891 2.335 1.00 0.00 C ATOM 1175 C PHE A 80 -9.827 11.763 1.259 1.00 0.00 C ATOM 1176 O PHE A 80 -10.013 12.963 1.231 1.00 0.00 O ATOM 1177 CB PHE A 80 -11.789 10.302 1.824 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.249 9.250 2.802 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.603 8.010 2.837 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.305 9.516 3.684 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -12.013 7.032 3.746 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.714 8.536 4.597 1.00 0.00 C ATOM 1183 CZ PHE A 80 -13.068 7.293 4.627 1.00 0.00 C ATOM 0 H PHE A 80 -11.237 12.598 3.379 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.793 10.081 2.582 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.543 11.083 1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.649 9.866 0.835 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.786 7.808 2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.802 10.474 3.660 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.515 6.074 3.769 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.527 8.738 5.278 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.384 6.537 5.330 1.00 0.00 H new ATOM 1193 N SER A 81 -9.040 11.168 0.384 1.00 0.00 N ATOM 1194 CA SER A 81 -8.344 11.962 -0.684 1.00 0.00 C ATOM 1195 C SER A 81 -8.727 11.478 -2.092 1.00 0.00 C ATOM 1196 O SER A 81 -9.129 12.266 -2.925 1.00 0.00 O ATOM 1197 CB SER A 81 -6.833 11.810 -0.506 1.00 0.00 C ATOM 1198 OG SER A 81 -6.496 12.025 0.858 1.00 0.00 O ATOM 0 H SER A 81 -8.851 10.166 0.366 1.00 0.00 H new ATOM 0 HA SER A 81 -8.649 13.004 -0.586 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.517 10.815 -0.818 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.307 12.524 -1.139 1.00 0.00 H new ATOM 0 HG SER A 81 -5.528 11.926 0.975 1.00 0.00 H new ATOM 1204 N SER A 82 -8.571 10.201 -2.384 1.00 0.00 N ATOM 1205 CA SER A 82 -8.890 9.688 -3.767 1.00 0.00 C ATOM 1206 C SER A 82 -10.059 8.699 -3.753 1.00 0.00 C ATOM 1207 O SER A 82 -10.343 8.060 -4.745 1.00 0.00 O ATOM 1208 CB SER A 82 -7.651 8.987 -4.331 1.00 0.00 C ATOM 1209 OG SER A 82 -7.763 8.899 -5.746 1.00 0.00 O ATOM 0 H SER A 82 -8.238 9.494 -1.728 1.00 0.00 H new ATOM 0 HA SER A 82 -9.176 10.538 -4.387 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.751 9.540 -4.060 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.555 7.991 -3.900 1.00 0.00 H new ATOM 0 HG SER A 82 -8.665 8.600 -5.985 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.747 8.567 -2.661 1.00 0.00 N ATOM 1216 CA LEU A 83 -11.901 7.620 -2.626 1.00 0.00 C ATOM 1217 C LEU A 83 -13.140 8.346 -3.153 1.00 0.00 C ATOM 1218 O LEU A 83 -14.246 7.844 -3.101 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.132 7.164 -1.176 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.248 5.945 -0.854 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -9.786 6.388 -0.761 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -11.692 5.318 0.478 1.00 0.00 C ATOM 0 H LEU A 83 -10.566 9.069 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.699 6.746 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.903 7.980 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.182 6.910 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.350 5.203 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.159 5.526 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.476 6.821 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.681 7.132 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.064 4.456 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.596 6.054 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.732 4.999 0.401 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.952 9.535 -3.642 1.00 0.00 N ATOM 1235 CA HIS A 84 -14.093 10.338 -4.163 1.00 0.00 C ATOM 1236 C HIS A 84 -14.357 9.923 -5.604 1.00 0.00 C ATOM 1237 O HIS A 84 -15.313 10.337 -6.230 1.00 0.00 O ATOM 1238 CB HIS A 84 -13.712 11.819 -4.071 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.954 12.016 -2.785 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.090 13.076 -2.569 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -12.897 11.252 -1.647 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.558 12.911 -1.340 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -12.019 11.818 -0.739 1.00 0.00 N ATOM 0 H HIS A 84 -12.043 9.994 -3.705 1.00 0.00 H new ATOM 0 HA HIS A 84 -15.001 10.171 -3.584 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -13.100 12.110 -4.925 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -14.604 12.445 -4.089 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -11.893 13.838 -3.217 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -13.455 10.342 -1.484 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -10.842 13.587 -0.897 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.506 9.087 -6.118 1.00 0.00 N ATOM 1252 CA VAL A 85 -13.662 8.593 -7.506 1.00 0.00 C ATOM 1253 C VAL A 85 -14.704 7.474 -7.519 1.00 0.00 C ATOM 1254 O VAL A 85 -14.899 6.788 -6.535 1.00 0.00 O ATOM 1255 CB VAL A 85 -12.315 8.061 -7.985 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -12.368 7.805 -9.489 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -11.234 9.101 -7.678 1.00 0.00 C ATOM 0 H VAL A 85 -12.693 8.719 -5.624 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.992 9.395 -8.166 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.085 7.126 -7.474 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.404 7.425 -9.828 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.144 7.071 -9.706 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.594 8.736 -10.009 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.266 8.731 -8.016 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.467 10.032 -8.195 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.198 9.282 -6.604 1.00 0.00 H new ATOM 1267 N ARG A 86 -15.382 7.285 -8.616 1.00 0.00 N ATOM 1268 CA ARG A 86 -16.418 6.213 -8.675 1.00 0.00 C ATOM 1269 C ARG A 86 -15.758 4.900 -9.088 1.00 0.00 C ATOM 1270 O ARG A 86 -16.183 4.234 -10.011 1.00 0.00 O ATOM 1271 CB ARG A 86 -17.481 6.602 -9.705 1.00 0.00 C ATOM 1272 CG ARG A 86 -18.296 7.781 -9.170 1.00 0.00 C ATOM 1273 CD ARG A 86 -19.360 8.180 -10.194 1.00 0.00 C ATOM 1274 NE ARG A 86 -20.036 9.429 -9.742 1.00 0.00 N ATOM 1275 CZ ARG A 86 -20.737 10.137 -10.586 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -20.852 9.753 -11.828 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -21.322 11.233 -10.186 1.00 0.00 N ATOM 0 H ARG A 86 -15.265 7.825 -9.474 1.00 0.00 H new ATOM 0 HA ARG A 86 -16.885 6.091 -7.698 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -17.008 6.871 -10.649 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -18.136 5.754 -9.907 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -18.769 7.510 -8.226 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -17.639 8.627 -8.966 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -18.901 8.334 -11.171 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -20.090 7.379 -10.308 1.00 0.00 H new ATOM 0 HE ARG A 86 -19.951 9.731 -8.772 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -20.394 8.898 -12.142 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -21.400 10.308 -12.485 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -21.231 11.535 -9.216 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -21.870 11.788 -10.843 1.00 0.00 H new ATOM 1291 N ASP A 87 -14.722 4.522 -8.392 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.018 3.251 -8.710 1.00 0.00 C ATOM 1293 C ASP A 87 -14.755 2.089 -8.044 1.00 0.00 C ATOM 1294 O ASP A 87 -15.545 2.278 -7.140 1.00 0.00 O ATOM 1295 CB ASP A 87 -12.584 3.322 -8.181 1.00 0.00 C ATOM 1296 CG ASP A 87 -11.779 4.323 -9.012 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -12.194 4.611 -10.123 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -10.762 4.785 -8.523 1.00 0.00 O ATOM 0 H ASP A 87 -14.330 5.045 -7.609 1.00 0.00 H new ATOM 0 HA ASP A 87 -13.998 3.098 -9.789 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.587 3.623 -7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.119 2.337 -8.229 1.00 0.00 H new ATOM 1303 N THR A 88 -14.505 0.888 -8.484 1.00 0.00 N ATOM 1304 CA THR A 88 -15.190 -0.293 -7.880 1.00 0.00 C ATOM 1305 C THR A 88 -14.324 -0.860 -6.754 1.00 0.00 C ATOM 1306 O THR A 88 -13.135 -0.620 -6.695 1.00 0.00 O ATOM 1307 CB THR A 88 -15.393 -1.359 -8.957 1.00 0.00 C ATOM 1308 OG1 THR A 88 -16.177 -0.819 -10.012 1.00 0.00 O ATOM 1309 CG2 THR A 88 -16.109 -2.565 -8.351 1.00 0.00 C ATOM 0 H THR A 88 -13.854 0.671 -9.238 1.00 0.00 H new ATOM 0 HA THR A 88 -16.157 0.007 -7.476 1.00 0.00 H new ATOM 0 HB THR A 88 -14.425 -1.673 -9.348 1.00 0.00 H new ATOM 0 HG1 THR A 88 -16.307 -1.500 -10.705 1.00 0.00 H new ATOM 0 HG21 THR A 88 -16.254 -3.325 -9.118 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.507 -2.977 -7.541 1.00 0.00 H new ATOM 0 HG23 THR A 88 -17.078 -2.254 -7.960 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.908 -1.608 -5.854 1.00 0.00 N ATOM 1318 CA LYS A 89 -14.109 -2.181 -4.730 1.00 0.00 C ATOM 1319 C LYS A 89 -13.497 -3.513 -5.167 1.00 0.00 C ATOM 1320 O LYS A 89 -14.080 -4.255 -5.933 1.00 0.00 O ATOM 1321 CB LYS A 89 -15.015 -2.425 -3.520 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.643 -1.110 -3.054 1.00 0.00 C ATOM 1323 CD LYS A 89 -16.542 -1.389 -1.844 1.00 0.00 C ATOM 1324 CE LYS A 89 -17.191 -0.090 -1.364 1.00 0.00 C ATOM 1325 NZ LYS A 89 -18.361 -0.415 -0.498 1.00 0.00 N ATOM 0 H LYS A 89 -15.900 -1.846 -5.848 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.320 -1.479 -4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.798 -3.137 -3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -14.438 -2.868 -2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.865 -0.394 -2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -16.225 -0.664 -3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.312 -2.113 -2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.955 -1.831 -1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.468 0.508 -0.809 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.511 0.508 -2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -18.805 0.466 -0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -19.052 -0.969 -1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.042 -0.969 0.323 1.00 0.00 H new ATOM 1339 N ILE A 90 -12.318 -3.816 -4.681 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.634 -5.096 -5.052 1.00 0.00 C ATOM 1341 C ILE A 90 -11.127 -5.791 -3.784 1.00 0.00 C ATOM 1342 O ILE A 90 -10.998 -5.182 -2.741 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.459 -4.785 -5.982 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.556 -3.727 -5.337 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.995 -4.255 -7.313 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -8.278 -3.573 -6.164 1.00 0.00 C ATOM 0 H ILE A 90 -11.794 -3.225 -4.036 1.00 0.00 H new ATOM 0 HA ILE A 90 -12.335 -5.756 -5.563 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.882 -5.694 -6.154 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -10.080 -2.773 -5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.308 -4.018 -4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -10.161 -4.032 -7.978 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.635 -5.008 -7.773 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.572 -3.347 -7.137 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.636 -2.821 -5.705 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.751 -4.526 -6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.535 -3.262 -7.177 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.842 -7.063 -3.865 1.00 0.00 N ATOM 1359 CA GLU A 91 -10.348 -7.797 -2.664 1.00 0.00 C ATOM 1360 C GLU A 91 -8.965 -7.276 -2.267 1.00 0.00 C ATOM 1361 O GLU A 91 -8.165 -6.905 -3.102 1.00 0.00 O ATOM 1362 CB GLU A 91 -10.269 -9.293 -2.976 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.686 -9.860 -3.107 1.00 0.00 C ATOM 1364 CD GLU A 91 -11.614 -11.355 -3.421 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -11.393 -11.689 -4.573 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -11.783 -12.141 -2.504 1.00 0.00 O ATOM 0 H GLU A 91 -10.930 -7.626 -4.711 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.038 -7.637 -1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.714 -9.454 -3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.729 -9.813 -2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.240 -9.699 -2.182 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.226 -9.338 -3.897 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.683 -7.238 -0.992 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.357 -6.732 -0.530 1.00 0.00 C ATOM 1375 C VAL A 92 -6.225 -7.565 -1.150 1.00 0.00 C ATOM 1376 O VAL A 92 -5.209 -7.037 -1.557 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.295 -6.830 1.001 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.867 -6.555 1.488 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -8.252 -5.800 1.621 1.00 0.00 C ATOM 0 H VAL A 92 -9.315 -7.536 -0.249 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.235 -5.695 -0.842 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.590 -7.835 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.833 -6.627 2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.187 -7.289 1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.564 -5.554 1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.208 -5.870 2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.959 -4.797 1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.270 -6.001 1.286 1.00 0.00 H new ATOM 1389 N ALA A 93 -6.385 -8.857 -1.218 1.00 0.00 N ATOM 1390 CA ALA A 93 -5.309 -9.715 -1.801 1.00 0.00 C ATOM 1391 C ALA A 93 -4.919 -9.201 -3.191 1.00 0.00 C ATOM 1392 O ALA A 93 -3.751 -9.117 -3.531 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.817 -11.154 -1.918 1.00 0.00 C ATOM 0 H ALA A 93 -7.213 -9.358 -0.896 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.435 -9.681 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.035 -11.783 -2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.085 -11.527 -0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.694 -11.179 -2.565 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.883 -8.856 -3.999 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.566 -8.356 -5.366 1.00 0.00 C ATOM 1401 C GLN A 94 -4.967 -6.953 -5.261 1.00 0.00 C ATOM 1402 O GLN A 94 -4.071 -6.589 -5.996 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.851 -8.314 -6.196 1.00 0.00 C ATOM 1404 CG GLN A 94 -6.529 -7.867 -7.622 1.00 0.00 C ATOM 1405 CD GLN A 94 -7.794 -7.947 -8.479 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -8.069 -8.967 -9.080 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -8.581 -6.910 -8.561 1.00 0.00 N ATOM 0 H GLN A 94 -6.876 -8.899 -3.772 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.848 -9.019 -5.849 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.319 -9.299 -6.210 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.566 -7.628 -5.742 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.144 -6.847 -7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.749 -8.500 -8.046 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.351 -6.054 -8.057 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.427 -6.955 -9.129 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.455 -6.171 -4.343 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.925 -4.790 -4.161 1.00 0.00 C ATOM 1418 C PHE A 95 -3.434 -4.839 -3.823 1.00 0.00 C ATOM 1419 O PHE A 95 -2.643 -4.088 -4.358 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.678 -4.130 -3.007 1.00 0.00 C ATOM 1421 CG PHE A 95 -5.138 -2.743 -2.762 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.989 -2.572 -1.981 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.786 -1.630 -3.308 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.488 -1.288 -1.746 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -5.286 -0.345 -3.072 1.00 0.00 C ATOM 1426 CZ PHE A 95 -4.137 -0.174 -2.291 1.00 0.00 C ATOM 0 H PHE A 95 -6.206 -6.430 -3.703 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.061 -4.222 -5.082 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.742 -4.079 -3.239 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.577 -4.733 -2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.489 -3.432 -1.560 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.672 -1.763 -3.911 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.601 -1.156 -1.144 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.786 0.515 -3.492 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.751 0.818 -2.109 1.00 0.00 H new ATOM 1436 N VAL A 96 -3.043 -5.699 -2.923 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.605 -5.767 -2.541 1.00 0.00 C ATOM 1438 C VAL A 96 -0.748 -6.171 -3.745 1.00 0.00 C ATOM 1439 O VAL A 96 0.248 -5.540 -4.042 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.418 -6.792 -1.421 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.070 -6.898 -1.072 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -2.204 -6.350 -0.184 1.00 0.00 C ATOM 0 H VAL A 96 -3.655 -6.355 -2.437 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.290 -4.782 -2.197 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.784 -7.764 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.205 -7.628 -0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.629 -7.215 -1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.436 -5.926 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.070 -7.081 0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.840 -5.378 0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.263 -6.275 -0.433 1.00 0.00 H new ATOM 1452 N LYS A 97 -1.107 -7.222 -4.438 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.276 -7.645 -5.607 1.00 0.00 C ATOM 1454 C LYS A 97 -0.218 -6.532 -6.656 1.00 0.00 C ATOM 1455 O LYS A 97 0.822 -6.264 -7.224 1.00 0.00 O ATOM 1456 CB LYS A 97 -0.865 -8.909 -6.239 1.00 0.00 C ATOM 1457 CG LYS A 97 -0.659 -10.100 -5.293 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.194 -11.389 -5.937 1.00 0.00 C ATOM 1459 CE LYS A 97 -2.713 -11.483 -5.754 1.00 0.00 C ATOM 1460 NZ LYS A 97 -3.198 -12.783 -6.300 1.00 0.00 N ATOM 0 H LYS A 97 -1.927 -7.798 -4.249 1.00 0.00 H new ATOM 0 HA LYS A 97 0.734 -7.851 -5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.928 -8.768 -6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.386 -9.106 -7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.401 -10.212 -5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.172 -9.917 -4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.947 -11.403 -6.999 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.712 -12.256 -5.486 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.969 -11.402 -4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.204 -10.655 -6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.229 -12.848 -6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.966 -12.843 -7.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.738 -13.566 -5.793 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.311 -5.871 -6.917 1.00 0.00 N ATOM 1475 CA ASP A 98 -1.281 -4.783 -7.936 1.00 0.00 C ATOM 1476 C ASP A 98 -0.281 -3.724 -7.489 1.00 0.00 C ATOM 1477 O ASP A 98 0.468 -3.181 -8.277 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.669 -4.151 -8.049 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.633 -5.140 -8.706 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -3.161 -6.016 -9.411 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.826 -5.003 -8.495 1.00 0.00 O ATOM 0 H ASP A 98 -2.215 -6.034 -6.475 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.990 -5.189 -8.905 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.035 -3.874 -7.060 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.615 -3.235 -8.637 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.262 -3.436 -6.224 1.00 0.00 N ATOM 1487 CA LEU A 99 0.686 -2.425 -5.696 1.00 0.00 C ATOM 1488 C LEU A 99 2.126 -2.912 -5.932 1.00 0.00 C ATOM 1489 O LEU A 99 3.006 -2.143 -6.261 1.00 0.00 O ATOM 1490 CB LEU A 99 0.423 -2.245 -4.195 1.00 0.00 C ATOM 1491 CG LEU A 99 1.383 -1.204 -3.599 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.112 0.180 -4.215 1.00 0.00 C ATOM 1493 CD2 LEU A 99 1.171 -1.141 -2.083 1.00 0.00 C ATOM 0 H LEU A 99 -0.870 -3.863 -5.525 1.00 0.00 H new ATOM 0 HA LEU A 99 0.550 -1.470 -6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.608 -1.930 -4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.547 -3.198 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 99 2.411 -1.492 -3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.798 0.910 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.260 0.133 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.085 0.478 -4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.849 -0.404 -1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.141 -0.855 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.373 -2.119 -1.646 1.00 0.00 H new ATOM 1505 N LEU A 100 2.369 -4.184 -5.743 1.00 0.00 N ATOM 1506 CA LEU A 100 3.751 -4.733 -5.924 1.00 0.00 C ATOM 1507 C LEU A 100 4.289 -4.421 -7.326 1.00 0.00 C ATOM 1508 O LEU A 100 5.449 -4.086 -7.487 1.00 0.00 O ATOM 1509 CB LEU A 100 3.716 -6.253 -5.707 1.00 0.00 C ATOM 1510 CG LEU A 100 5.089 -6.878 -6.005 1.00 0.00 C ATOM 1511 CD1 LEU A 100 6.185 -6.171 -5.196 1.00 0.00 C ATOM 1512 CD2 LEU A 100 5.052 -8.361 -5.618 1.00 0.00 C ATOM 0 H LEU A 100 1.667 -4.871 -5.469 1.00 0.00 H new ATOM 0 HA LEU A 100 4.414 -4.265 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.427 -6.472 -4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.960 -6.700 -6.353 1.00 0.00 H new ATOM 0 HG LEU A 100 5.310 -6.769 -7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.151 -6.625 -5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.210 -5.115 -5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.973 -6.271 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.021 -8.815 -5.825 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.827 -8.454 -4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.282 -8.869 -6.198 1.00 0.00 H new ATOM 1524 N LEU A 101 3.480 -4.530 -8.344 1.00 0.00 N ATOM 1525 CA LEU A 101 3.998 -4.237 -9.718 1.00 0.00 C ATOM 1526 C LEU A 101 4.504 -2.787 -9.794 1.00 0.00 C ATOM 1527 O LEU A 101 5.581 -2.529 -10.291 1.00 0.00 O ATOM 1528 CB LEU A 101 2.882 -4.456 -10.758 1.00 0.00 C ATOM 1529 CG LEU A 101 2.744 -5.952 -11.118 1.00 0.00 C ATOM 1530 CD1 LEU A 101 3.910 -6.413 -12.010 1.00 0.00 C ATOM 1531 CD2 LEU A 101 2.710 -6.800 -9.844 1.00 0.00 C ATOM 0 H LEU A 101 2.499 -4.804 -8.291 1.00 0.00 H new ATOM 0 HA LEU A 101 4.825 -4.913 -9.934 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.936 -4.085 -10.365 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.101 -3.881 -11.658 1.00 0.00 H new ATOM 0 HG LEU A 101 1.811 -6.082 -11.667 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.789 -7.470 -12.249 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.916 -5.831 -12.931 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.852 -6.266 -11.482 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.612 -7.853 -10.110 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.633 -6.651 -9.283 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.860 -6.501 -9.230 1.00 0.00 H new ATOM 1543 N HIS A 102 3.745 -1.841 -9.319 1.00 0.00 N ATOM 1544 CA HIS A 102 4.203 -0.420 -9.386 1.00 0.00 C ATOM 1545 C HIS A 102 5.379 -0.159 -8.437 1.00 0.00 C ATOM 1546 O HIS A 102 6.251 0.624 -8.739 1.00 0.00 O ATOM 1547 CB HIS A 102 3.043 0.523 -9.033 1.00 0.00 C ATOM 1548 CG HIS A 102 2.157 0.698 -10.232 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.377 1.700 -11.161 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.065 0.003 -10.674 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.438 1.583 -12.113 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.608 0.562 -11.866 1.00 0.00 N ATOM 0 H HIS A 102 2.832 -1.985 -8.889 1.00 0.00 H new ATOM 0 HA HIS A 102 4.539 -0.230 -10.405 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.470 0.116 -8.200 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.431 1.489 -8.710 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.625 -0.848 -10.176 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.361 2.233 -12.972 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -0.187 0.259 -12.429 1.00 0.00 H new ATOM 1560 N LEU A 103 5.408 -0.765 -7.287 1.00 0.00 N ATOM 1561 CA LEU A 103 6.531 -0.473 -6.344 1.00 0.00 C ATOM 1562 C LEU A 103 7.877 -0.802 -6.996 1.00 0.00 C ATOM 1563 O LEU A 103 8.787 0.004 -6.987 1.00 0.00 O ATOM 1564 CB LEU A 103 6.373 -1.309 -5.073 1.00 0.00 C ATOM 1565 CG LEU A 103 5.175 -0.804 -4.255 1.00 0.00 C ATOM 1566 CD1 LEU A 103 4.905 -1.781 -3.103 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.457 0.605 -3.687 1.00 0.00 C ATOM 0 H LEU A 103 4.718 -1.440 -6.958 1.00 0.00 H new ATOM 0 HA LEU A 103 6.504 0.588 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.229 -2.358 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.282 -1.251 -4.475 1.00 0.00 H new ATOM 0 HG LEU A 103 4.302 -0.745 -4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.055 -1.428 -2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.682 -2.768 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.786 -1.842 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.596 0.944 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.334 0.568 -3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.640 1.298 -4.508 1.00 0.00 H new ATOM 1579 N LYS A 104 8.022 -1.965 -7.559 1.00 0.00 N ATOM 1580 CA LYS A 104 9.322 -2.314 -8.203 1.00 0.00 C ATOM 1581 C LYS A 104 9.561 -1.422 -9.429 1.00 0.00 C ATOM 1582 O LYS A 104 10.681 -1.244 -9.867 1.00 0.00 O ATOM 1583 CB LYS A 104 9.306 -3.785 -8.624 1.00 0.00 C ATOM 1584 CG LYS A 104 8.129 -4.038 -9.575 1.00 0.00 C ATOM 1585 CD LYS A 104 8.096 -5.521 -9.992 1.00 0.00 C ATOM 1586 CE LYS A 104 7.384 -6.373 -8.923 1.00 0.00 C ATOM 1587 NZ LYS A 104 8.007 -7.725 -8.879 1.00 0.00 N ATOM 0 H LYS A 104 7.304 -2.688 -7.603 1.00 0.00 H new ATOM 0 HA LYS A 104 10.129 -2.151 -7.489 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.244 -4.043 -9.115 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.220 -4.424 -7.745 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.192 -3.768 -9.087 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.222 -3.406 -10.458 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.582 -5.624 -10.948 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.113 -5.886 -10.137 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.460 -5.892 -7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.322 -6.456 -9.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.530 -8.304 -8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.912 -8.181 -9.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.015 -7.635 -8.639 1.00 0.00 H new ATOM 1601 N LYS A 105 8.517 -0.882 -10.000 1.00 0.00 N ATOM 1602 CA LYS A 105 8.680 -0.026 -11.215 1.00 0.00 C ATOM 1603 C LYS A 105 9.457 1.260 -10.891 1.00 0.00 C ATOM 1604 O LYS A 105 10.375 1.625 -11.596 1.00 0.00 O ATOM 1605 CB LYS A 105 7.297 0.341 -11.755 1.00 0.00 C ATOM 1606 CG LYS A 105 7.448 1.071 -13.091 1.00 0.00 C ATOM 1607 CD LYS A 105 6.066 1.437 -13.633 1.00 0.00 C ATOM 1608 CE LYS A 105 6.227 2.303 -14.882 1.00 0.00 C ATOM 1609 NZ LYS A 105 6.734 3.647 -14.485 1.00 0.00 N ATOM 0 H LYS A 105 7.556 -0.996 -9.678 1.00 0.00 H new ATOM 0 HA LYS A 105 9.245 -0.586 -11.960 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.696 -0.559 -11.886 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.772 0.974 -11.040 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.049 1.971 -12.960 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.974 0.438 -13.806 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.506 0.533 -13.873 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.496 1.974 -12.875 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.920 1.831 -15.579 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.272 2.399 -15.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.500 4.339 -15.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.290 3.935 -13.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.766 3.606 -14.362 1.00 0.00 H new ATOM 1623 N LEU A 106 9.099 1.958 -9.845 1.00 0.00 N ATOM 1624 CA LEU A 106 9.830 3.221 -9.516 1.00 0.00 C ATOM 1625 C LEU A 106 11.309 2.915 -9.268 1.00 0.00 C ATOM 1626 O LEU A 106 12.171 3.727 -9.537 1.00 0.00 O ATOM 1627 CB LEU A 106 9.222 3.882 -8.268 1.00 0.00 C ATOM 1628 CG LEU A 106 7.946 4.664 -8.643 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.293 5.918 -9.474 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.002 3.762 -9.446 1.00 0.00 C ATOM 0 H LEU A 106 8.340 1.713 -9.209 1.00 0.00 H new ATOM 0 HA LEU A 106 9.738 3.907 -10.358 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.985 3.121 -7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.949 4.555 -7.814 1.00 0.00 H new ATOM 0 HG LEU A 106 7.456 4.982 -7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.377 6.452 -9.726 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.946 6.570 -8.893 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.802 5.618 -10.390 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.102 4.319 -9.708 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.502 3.431 -10.356 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.729 2.894 -8.845 1.00 0.00 H new ATOM 1642 N PHE A 107 11.612 1.757 -8.757 1.00 0.00 N ATOM 1643 CA PHE A 107 13.038 1.417 -8.499 1.00 0.00 C ATOM 1644 C PHE A 107 13.811 1.465 -9.815 1.00 0.00 C ATOM 1645 O PHE A 107 14.959 1.861 -9.862 1.00 0.00 O ATOM 1646 CB PHE A 107 13.145 0.012 -7.905 1.00 0.00 C ATOM 1647 CG PHE A 107 14.588 -0.259 -7.552 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.175 0.408 -6.470 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.341 -1.168 -8.306 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.513 0.168 -6.141 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.680 -1.410 -7.976 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.267 -0.741 -6.894 1.00 0.00 C ATOM 0 H PHE A 107 10.938 1.033 -8.507 1.00 0.00 H new ATOM 0 HA PHE A 107 13.455 2.136 -7.793 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.517 -0.071 -7.018 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.786 -0.728 -8.620 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.594 1.109 -5.889 1.00 0.00 H new ATOM 0 HD2 PHE A 107 14.889 -1.682 -9.141 1.00 0.00 H new ATOM 0 HE1 PHE A 107 16.965 0.684 -5.306 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.260 -2.113 -8.556 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.300 -0.926 -6.641 1.00 0.00 H new ATOM 1662 N ARG A 108 13.192 1.047 -10.882 1.00 0.00 N ATOM 1663 CA ARG A 108 13.885 1.044 -12.199 1.00 0.00 C ATOM 1664 C ARG A 108 14.315 2.468 -12.573 1.00 0.00 C ATOM 1665 O ARG A 108 15.386 2.674 -13.108 1.00 0.00 O ATOM 1666 CB ARG A 108 12.925 0.509 -13.270 1.00 0.00 C ATOM 1667 CG ARG A 108 12.668 -0.992 -13.061 1.00 0.00 C ATOM 1668 CD ARG A 108 13.828 -1.825 -13.623 1.00 0.00 C ATOM 1669 NE ARG A 108 13.450 -3.266 -13.611 1.00 0.00 N ATOM 1670 CZ ARG A 108 14.129 -4.123 -14.324 1.00 0.00 C ATOM 1671 NH1 ARG A 108 15.124 -3.713 -15.062 1.00 0.00 N ATOM 1672 NH2 ARG A 108 13.812 -5.389 -14.301 1.00 0.00 N ATOM 0 H ARG A 108 12.231 0.706 -10.899 1.00 0.00 H new ATOM 0 HA ARG A 108 14.769 0.410 -12.137 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.982 1.055 -13.227 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.346 0.677 -14.261 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.546 -1.200 -11.998 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.737 -1.278 -13.551 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.061 -1.507 -14.639 1.00 0.00 H new ATOM 0 HD3 ARG A 108 14.726 -1.668 -13.026 1.00 0.00 H new ATOM 0 HE ARG A 108 12.662 -3.582 -13.046 1.00 0.00 H new ATOM 0 HH11 ARG A 108 15.371 -2.723 -15.081 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.655 -4.382 -15.619 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.033 -5.709 -13.726 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.343 -6.058 -14.858 1.00 0.00 H new ATOM 1686 N GLU A 109 13.494 3.457 -12.314 1.00 0.00 N ATOM 1687 CA GLU A 109 13.881 4.858 -12.681 1.00 0.00 C ATOM 1688 C GLU A 109 14.632 5.528 -11.523 1.00 0.00 C ATOM 1689 O GLU A 109 15.259 6.554 -11.698 1.00 0.00 O ATOM 1690 CB GLU A 109 12.624 5.668 -13.006 1.00 0.00 C ATOM 1691 CG GLU A 109 11.950 5.093 -14.255 1.00 0.00 C ATOM 1692 CD GLU A 109 12.843 5.329 -15.475 1.00 0.00 C ATOM 1693 OE1 GLU A 109 13.695 6.199 -15.402 1.00 0.00 O ATOM 1694 OE2 GLU A 109 12.659 4.634 -16.461 1.00 0.00 O ATOM 0 H GLU A 109 12.582 3.358 -11.869 1.00 0.00 H new ATOM 0 HA GLU A 109 14.534 4.823 -13.553 1.00 0.00 H new ATOM 0 HB2 GLU A 109 11.934 5.641 -12.163 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.885 6.713 -13.170 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.770 4.026 -14.125 1.00 0.00 H new ATOM 0 HG3 GLU A 109 10.979 5.564 -14.406 1.00 0.00 H new ATOM 1701 N GLY A 110 14.589 4.962 -10.349 1.00 0.00 N ATOM 1702 CA GLY A 110 15.318 5.575 -9.203 1.00 0.00 C ATOM 1703 C GLY A 110 14.592 6.834 -8.713 1.00 0.00 C ATOM 1704 O GLY A 110 15.131 7.602 -7.942 1.00 0.00 O ATOM 0 H GLY A 110 14.082 4.104 -10.134 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.398 4.855 -8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.334 5.829 -9.505 1.00 0.00 H new ATOM 1708 N ARG A 111 13.371 7.053 -9.139 1.00 0.00 N ATOM 1709 CA ARG A 111 12.624 8.266 -8.673 1.00 0.00 C ATOM 1710 C ARG A 111 11.750 7.879 -7.481 1.00 0.00 C ATOM 1711 O ARG A 111 10.679 7.326 -7.631 1.00 0.00 O ATOM 1712 CB ARG A 111 11.736 8.806 -9.802 1.00 0.00 C ATOM 1713 CG ARG A 111 12.607 9.269 -10.987 1.00 0.00 C ATOM 1714 CD ARG A 111 11.883 10.362 -11.788 1.00 0.00 C ATOM 1715 NE ARG A 111 10.406 10.102 -11.805 1.00 0.00 N ATOM 1716 CZ ARG A 111 9.915 8.973 -12.236 1.00 0.00 C ATOM 1717 NH1 ARG A 111 10.689 8.087 -12.799 1.00 0.00 N ATOM 1718 NH2 ARG A 111 8.632 8.749 -12.141 1.00 0.00 N ATOM 0 H ARG A 111 12.862 6.450 -9.785 1.00 0.00 H new ATOM 0 HA ARG A 111 13.334 9.040 -8.383 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.042 8.032 -10.131 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.135 9.638 -9.436 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.560 9.649 -10.619 1.00 0.00 H new ATOM 0 HG3 ARG A 111 12.831 8.422 -11.635 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.082 11.338 -11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.266 10.389 -12.808 1.00 0.00 H new ATOM 0 HE ARG A 111 9.770 10.826 -11.471 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.686 8.275 -12.905 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.297 7.207 -13.133 1.00 0.00 H new ATOM 0 HH21 ARG A 111 8.020 9.455 -11.732 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.242 7.868 -12.476 1.00 0.00 H new ATOM 1732 N PHE A 112 12.212 8.152 -6.293 1.00 0.00 N ATOM 1733 CA PHE A 112 11.434 7.792 -5.071 1.00 0.00 C ATOM 1734 C PHE A 112 10.566 8.972 -4.632 1.00 0.00 C ATOM 1735 O PHE A 112 10.982 10.112 -4.687 1.00 0.00 O ATOM 1736 CB PHE A 112 12.421 7.421 -3.970 1.00 0.00 C ATOM 1737 CG PHE A 112 13.327 6.347 -4.512 1.00 0.00 C ATOM 1738 CD1 PHE A 112 12.916 5.013 -4.488 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.569 6.688 -5.063 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.745 4.017 -5.012 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.400 5.690 -5.586 1.00 0.00 C ATOM 1742 CZ PHE A 112 14.987 4.354 -5.561 1.00 0.00 C ATOM 0 H PHE A 112 13.104 8.613 -6.113 1.00 0.00 H new ATOM 0 HA PHE A 112 10.775 6.949 -5.280 1.00 0.00 H new ATOM 0 HB2 PHE A 112 13.000 8.293 -3.666 1.00 0.00 H new ATOM 0 HB3 PHE A 112 11.892 7.065 -3.086 1.00 0.00 H new ATOM 0 HD1 PHE A 112 11.958 4.751 -4.065 1.00 0.00 H new ATOM 0 HD2 PHE A 112 14.885 7.720 -5.084 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.426 2.985 -4.993 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.359 5.952 -6.008 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.626 3.583 -5.965 1.00 0.00 H new ATOM 1752 N ASN A 113 9.359 8.697 -4.203 1.00 0.00 N ATOM 1753 CA ASN A 113 8.435 9.784 -3.754 1.00 0.00 C ATOM 1754 C ASN A 113 8.529 10.983 -4.703 1.00 0.00 C ATOM 1755 CB ASN A 113 8.793 10.218 -2.328 1.00 0.00 C ATOM 1756 CG ASN A 113 10.265 10.627 -2.256 1.00 0.00 C ATOM 1757 OD1 ASN A 113 10.598 11.780 -2.450 1.00 0.00 O ATOM 1758 ND2 ASN A 113 11.168 9.725 -1.987 1.00 0.00 N ATOM 1759 OXT ASN A 113 9.369 11.836 -4.468 1.00 0.00 O ATOM 0 H ASN A 113 8.971 7.756 -4.144 1.00 0.00 H new ATOM 0 HA ASN A 113 7.413 9.405 -3.766 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.161 11.052 -2.024 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.600 9.402 -1.632 1.00 0.00 H new ATOM 0 HD21 ASN A 113 12.153 9.987 -1.940 1.00 0.00 H new ATOM 0 HD22 ASN A 113 10.890 8.757 -1.824 1.00 0.00 H new TER 1766 ASN A 113