USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 810 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 Single : A 53 HIS : no HD1:sc= -0.937 X(o=-0.94,f=-0.74) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0885 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -1.38 K(o=-1.4,f=-6.7!) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -136:sc= 0.546 USER MOD Single : A 94 THR OG1 : rot 64:sc= 1.02 USER MOD Single : B 53 HIS : no HD1:sc= -0.878 X(o=-0.88,f=-0.77) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0.11 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 66 GLN : amide:sc= -1.3 K(o=-1.3,f=-6.8!) USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 85 SER OG : rot -137:sc= 0.55 USER MOD Single : B 94 THR OG1 : rot 68:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 41 N ALA A 52 -5.105 -33.645 -8.495 1.00 0.00 N ATOM 42 CA ALA A 52 -4.281 -32.862 -7.583 1.00 0.00 C ATOM 43 C ALA A 52 -5.144 -32.036 -6.636 1.00 0.00 C ATOM 44 O ALA A 52 -6.020 -31.288 -7.072 1.00 0.00 O ATOM 45 CB ALA A 52 -3.341 -31.959 -8.367 1.00 0.00 C ATOM 0 HA ALA A 52 -3.688 -33.552 -6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.731 -31.379 -7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.694 -32.568 -8.998 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.924 -31.282 -8.991 1.00 0.00 H new ATOM 51 N HIS A 53 -4.894 -32.174 -5.338 1.00 0.00 N ATOM 52 CA HIS A 53 -5.649 -31.440 -4.330 1.00 0.00 C ATOM 53 C HIS A 53 -4.808 -30.323 -3.722 1.00 0.00 C ATOM 54 O HIS A 53 -4.159 -30.511 -2.692 1.00 0.00 O ATOM 55 CB HIS A 53 -6.132 -32.389 -3.232 1.00 0.00 C ATOM 56 CG HIS A 53 -5.063 -33.304 -2.719 1.00 0.00 C ATOM 57 ND1 HIS A 53 -4.778 -34.526 -3.292 1.00 0.00 N ATOM 58 CD2 HIS A 53 -4.207 -33.172 -1.678 1.00 0.00 C ATOM 59 CE1 HIS A 53 -3.796 -35.107 -2.625 1.00 0.00 C ATOM 60 NE2 HIS A 53 -3.431 -34.304 -1.641 1.00 0.00 N ATOM 0 H HIS A 53 -4.173 -32.788 -4.959 1.00 0.00 H new ATOM 0 HA HIS A 53 -6.514 -30.991 -4.818 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.525 -31.801 -2.402 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.957 -32.988 -3.618 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -4.146 -32.332 -1.002 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.366 -36.073 -2.846 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -2.692 -34.494 -0.964 1.00 0.00 H new ATOM 69 N LEU A 54 -4.826 -29.160 -4.364 1.00 0.00 N ATOM 70 CA LEU A 54 -4.065 -28.009 -3.887 1.00 0.00 C ATOM 71 C LEU A 54 -4.949 -26.767 -3.774 1.00 0.00 C ATOM 72 O LEU A 54 -4.451 -25.664 -3.547 1.00 0.00 O ATOM 73 CB LEU A 54 -2.892 -27.725 -4.828 1.00 0.00 C ATOM 74 CG LEU A 54 -1.634 -28.548 -4.560 1.00 0.00 C ATOM 75 CD1 LEU A 54 -1.927 -30.034 -4.702 1.00 0.00 C ATOM 76 CD2 LEU A 54 -0.516 -28.132 -5.506 1.00 0.00 C ATOM 0 H LEU A 54 -5.359 -28.988 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.684 -28.249 -2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.216 -27.908 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.638 -26.667 -4.758 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.310 -28.359 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.019 -30.604 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.697 -30.323 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.276 -30.241 -5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.374 -28.728 -5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.832 -28.293 -6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.288 -27.077 -5.358 1.00 0.00 H new ATOM 88 N THR A 55 -6.261 -26.954 -3.935 1.00 0.00 N ATOM 89 CA THR A 55 -7.217 -25.850 -3.856 1.00 0.00 C ATOM 90 C THR A 55 -7.052 -25.055 -2.564 1.00 0.00 C ATOM 91 O THR A 55 -6.852 -23.838 -2.587 1.00 0.00 O ATOM 92 CB THR A 55 -8.645 -26.386 -3.948 1.00 0.00 C ATOM 93 OG1 THR A 55 -8.666 -27.659 -4.572 1.00 0.00 O ATOM 94 CG2 THR A 55 -9.576 -25.479 -4.723 1.00 0.00 C ATOM 0 H THR A 55 -6.685 -27.863 -4.121 1.00 0.00 H new ATOM 0 HA THR A 55 -7.019 -25.181 -4.694 1.00 0.00 H new ATOM 0 HB THR A 55 -8.997 -26.446 -2.918 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.589 -27.985 -4.619 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.573 -25.919 -4.750 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.622 -24.504 -4.237 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.204 -25.360 -5.741 1.00 0.00 H new ATOM 102 N GLU A 56 -7.147 -25.748 -1.435 1.00 0.00 N ATOM 103 CA GLU A 56 -7.016 -25.109 -0.132 1.00 0.00 C ATOM 104 C GLU A 56 -5.731 -24.291 -0.044 1.00 0.00 C ATOM 105 O GLU A 56 -5.728 -23.177 0.475 1.00 0.00 O ATOM 106 CB GLU A 56 -7.043 -26.160 0.978 1.00 0.00 C ATOM 107 CG GLU A 56 -8.313 -26.996 0.994 1.00 0.00 C ATOM 108 CD GLU A 56 -8.036 -28.478 1.153 1.00 0.00 C ATOM 109 OE1 GLU A 56 -7.166 -28.834 1.976 1.00 0.00 O ATOM 110 OE2 GLU A 56 -8.688 -29.283 0.456 1.00 0.00 O ATOM 0 H GLU A 56 -7.314 -26.753 -1.396 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.860 -24.431 -0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.184 -26.821 0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.934 -25.662 1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.954 -26.661 1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.864 -26.831 0.068 1.00 0.00 H new ATOM 117 N VAL A 57 -4.639 -24.850 -0.552 1.00 0.00 N ATOM 118 CA VAL A 57 -3.352 -24.164 -0.520 1.00 0.00 C ATOM 119 C VAL A 57 -3.396 -22.873 -1.336 1.00 0.00 C ATOM 120 O VAL A 57 -2.833 -21.843 -0.930 1.00 0.00 O ATOM 121 CB VAL A 57 -2.210 -25.056 -1.047 1.00 0.00 C ATOM 122 CG1 VAL A 57 -0.867 -24.549 -0.543 1.00 0.00 C ATOM 123 CG2 VAL A 57 -2.417 -26.508 -0.638 1.00 0.00 C ATOM 0 H VAL A 57 -4.618 -25.771 -0.989 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.154 -23.927 0.525 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.217 -25.008 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.071 -25.189 -0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.710 -23.528 -0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.857 -24.566 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.597 -27.115 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.442 -26.580 0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.360 -26.870 -1.047 1.00 0.00 H new ATOM 133 N GLU A 58 -4.089 -22.914 -2.475 1.00 0.00 N ATOM 134 CA GLU A 58 -4.215 -21.728 -3.317 1.00 0.00 C ATOM 135 C GLU A 58 -4.914 -20.641 -2.534 1.00 0.00 C ATOM 136 O GLU A 58 -4.418 -19.528 -2.404 1.00 0.00 O ATOM 137 CB GLU A 58 -4.986 -22.012 -4.614 1.00 0.00 C ATOM 138 CG GLU A 58 -5.021 -23.473 -5.009 1.00 0.00 C ATOM 139 CD GLU A 58 -5.558 -23.692 -6.410 1.00 0.00 C ATOM 140 OE1 GLU A 58 -6.783 -23.539 -6.607 1.00 0.00 O ATOM 141 OE2 GLU A 58 -4.755 -24.017 -7.309 1.00 0.00 O ATOM 0 H GLU A 58 -4.565 -23.743 -2.830 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.212 -21.411 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.009 -21.653 -4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.535 -21.439 -5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.015 -23.887 -4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.639 -24.022 -4.298 1.00 0.00 H new ATOM 148 N SER A 59 -6.056 -20.986 -1.973 1.00 0.00 N ATOM 149 CA SER A 59 -6.795 -20.038 -1.156 1.00 0.00 C ATOM 150 C SER A 59 -5.938 -19.628 0.042 1.00 0.00 C ATOM 151 O SER A 59 -6.177 -18.599 0.672 1.00 0.00 O ATOM 152 CB SER A 59 -8.112 -20.655 -0.678 1.00 0.00 C ATOM 153 OG SER A 59 -8.651 -19.926 0.412 1.00 0.00 O ATOM 0 H SER A 59 -6.490 -21.904 -2.065 1.00 0.00 H new ATOM 0 HA SER A 59 -7.029 -19.157 -1.753 1.00 0.00 H new ATOM 0 HB2 SER A 59 -8.829 -20.671 -1.499 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.945 -21.690 -0.380 1.00 0.00 H new ATOM 0 HG SER A 59 -9.492 -20.339 0.698 1.00 0.00 H new ATOM 159 N ARG A 60 -4.943 -20.462 0.353 1.00 0.00 N ATOM 160 CA ARG A 60 -4.050 -20.227 1.473 1.00 0.00 C ATOM 161 C ARG A 60 -3.127 -19.052 1.236 1.00 0.00 C ATOM 162 O ARG A 60 -3.306 -17.996 1.838 1.00 0.00 O ATOM 163 CB ARG A 60 -3.217 -21.477 1.760 1.00 0.00 C ATOM 164 CG ARG A 60 -2.743 -21.579 3.202 1.00 0.00 C ATOM 165 CD ARG A 60 -3.908 -21.696 4.171 1.00 0.00 C ATOM 166 NE ARG A 60 -4.717 -22.887 3.916 1.00 0.00 N ATOM 167 CZ ARG A 60 -5.632 -23.355 4.761 1.00 0.00 C ATOM 168 NH1 ARG A 60 -5.857 -22.741 5.916 1.00 0.00 N ATOM 169 NH2 ARG A 60 -6.325 -24.442 4.450 1.00 0.00 N ATOM 0 H ARG A 60 -4.740 -21.315 -0.168 1.00 0.00 H new ATOM 0 HA ARG A 60 -4.677 -19.992 2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.808 -22.360 1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.349 -21.484 1.100 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.092 -22.446 3.310 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.148 -20.700 3.452 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.528 -21.728 5.192 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.535 -20.808 4.092 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.571 -23.388 3.040 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.327 -21.905 6.161 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.560 -23.105 6.559 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.156 -24.918 3.564 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.027 -24.802 5.097 1.00 0.00 H new ATOM 183 N LEU A 61 -2.125 -19.220 0.376 1.00 0.00 N ATOM 184 CA LEU A 61 -1.203 -18.116 0.140 1.00 0.00 C ATOM 185 C LEU A 61 -1.948 -16.935 -0.461 1.00 0.00 C ATOM 186 O LEU A 61 -1.615 -15.772 -0.215 1.00 0.00 O ATOM 187 CB LEU A 61 -0.044 -18.562 -0.741 1.00 0.00 C ATOM 188 CG LEU A 61 1.160 -19.079 0.045 1.00 0.00 C ATOM 189 CD1 LEU A 61 1.814 -17.951 0.823 1.00 0.00 C ATOM 190 CD2 LEU A 61 0.738 -20.200 0.984 1.00 0.00 C ATOM 0 H LEU A 61 -1.936 -20.074 -0.149 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.779 -17.795 1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.391 -19.346 -1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.272 -17.724 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 61 1.889 -19.475 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.669 -18.339 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.149 -17.178 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.093 -17.525 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.607 -20.558 1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.009 -19.826 1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.314 -21.020 0.404 1.00 0.00 H new ATOM 202 N GLU A 62 -2.995 -17.248 -1.207 1.00 0.00 N ATOM 203 CA GLU A 62 -3.832 -16.229 -1.808 1.00 0.00 C ATOM 204 C GLU A 62 -4.483 -15.399 -0.709 1.00 0.00 C ATOM 205 O GLU A 62 -4.641 -14.186 -0.847 1.00 0.00 O ATOM 206 CB GLU A 62 -4.900 -16.868 -2.695 1.00 0.00 C ATOM 207 CG GLU A 62 -5.703 -15.863 -3.505 1.00 0.00 C ATOM 208 CD GLU A 62 -6.863 -16.503 -4.241 1.00 0.00 C ATOM 209 OE1 GLU A 62 -7.277 -17.614 -3.846 1.00 0.00 O ATOM 210 OE2 GLU A 62 -7.360 -15.894 -5.212 1.00 0.00 O ATOM 0 H GLU A 62 -3.284 -18.205 -1.410 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.216 -15.582 -2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.421 -17.571 -3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.581 -17.445 -2.070 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.083 -15.087 -2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.046 -15.374 -4.224 1.00 0.00 H new ATOM 217 N ARG A 63 -4.848 -16.058 0.394 1.00 0.00 N ATOM 218 CA ARG A 63 -5.462 -15.362 1.516 1.00 0.00 C ATOM 219 C ARG A 63 -4.394 -14.743 2.418 1.00 0.00 C ATOM 220 O ARG A 63 -4.693 -13.890 3.255 1.00 0.00 O ATOM 221 CB ARG A 63 -6.338 -16.323 2.324 1.00 0.00 C ATOM 222 CG ARG A 63 -7.143 -15.640 3.419 1.00 0.00 C ATOM 223 CD ARG A 63 -7.087 -16.421 4.723 1.00 0.00 C ATOM 224 NE ARG A 63 -8.016 -17.550 4.725 1.00 0.00 N ATOM 225 CZ ARG A 63 -8.430 -18.166 5.829 1.00 0.00 C ATOM 226 NH1 ARG A 63 -8.000 -17.769 7.019 1.00 0.00 N ATOM 227 NH2 ARG A 63 -9.277 -19.184 5.743 1.00 0.00 N ATOM 0 H ARG A 63 -4.729 -17.062 0.529 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.087 -14.562 1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.022 -16.834 1.647 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.705 -17.088 2.774 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.758 -14.633 3.580 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.180 -15.538 3.099 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.073 -16.786 4.884 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.322 -15.756 5.554 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.367 -17.885 3.828 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.348 -16.988 7.091 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.321 -18.245 7.862 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.611 -19.494 4.830 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.594 -19.656 6.590 1.00 0.00 H new ATOM 241 N LEU A 64 -3.145 -15.179 2.247 1.00 0.00 N ATOM 242 CA LEU A 64 -2.040 -14.667 3.053 1.00 0.00 C ATOM 243 C LEU A 64 -1.456 -13.398 2.446 1.00 0.00 C ATOM 244 O LEU A 64 -0.808 -12.610 3.136 1.00 0.00 O ATOM 245 CB LEU A 64 -0.954 -15.743 3.215 1.00 0.00 C ATOM 246 CG LEU A 64 0.487 -15.295 2.921 1.00 0.00 C ATOM 247 CD1 LEU A 64 1.484 -16.224 3.595 1.00 0.00 C ATOM 248 CD2 LEU A 64 0.732 -15.245 1.418 1.00 0.00 C ATOM 0 H LEU A 64 -2.876 -15.883 1.560 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.429 -14.413 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.995 -16.121 4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.196 -16.577 2.556 1.00 0.00 H new ATOM 0 HG LEU A 64 0.626 -14.293 3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.498 -15.891 3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.323 -16.210 4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.347 -17.238 3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.757 -14.926 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.574 -16.235 0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.040 -14.538 0.960 1.00 0.00 H new ATOM 260 N GLU A 65 -1.684 -13.210 1.162 1.00 0.00 N ATOM 261 CA GLU A 65 -1.178 -12.037 0.462 1.00 0.00 C ATOM 262 C GLU A 65 -2.316 -11.117 0.025 1.00 0.00 C ATOM 263 O GLU A 65 -2.092 -9.944 -0.272 1.00 0.00 O ATOM 264 CB GLU A 65 -0.347 -12.456 -0.752 1.00 0.00 C ATOM 265 CG GLU A 65 1.152 -12.418 -0.503 1.00 0.00 C ATOM 266 CD GLU A 65 1.752 -11.052 -0.772 1.00 0.00 C ATOM 267 OE1 GLU A 65 1.137 -10.272 -1.530 1.00 0.00 O ATOM 268 OE2 GLU A 65 2.835 -10.762 -0.223 1.00 0.00 O ATOM 0 H GLU A 65 -2.217 -13.853 0.577 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.543 -11.486 1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.633 -13.466 -1.047 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.585 -11.800 -1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.353 -12.702 0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.641 -13.157 -1.137 1.00 0.00 H new ATOM 275 N GLN A 66 -3.535 -11.653 -0.014 1.00 0.00 N ATOM 276 CA GLN A 66 -4.701 -10.872 -0.415 1.00 0.00 C ATOM 277 C GLN A 66 -4.824 -9.603 0.425 1.00 0.00 C ATOM 278 O GLN A 66 -5.477 -9.598 1.470 1.00 0.00 O ATOM 279 CB GLN A 66 -5.973 -11.715 -0.282 1.00 0.00 C ATOM 280 CG GLN A 66 -6.568 -12.132 -1.617 1.00 0.00 C ATOM 281 CD GLN A 66 -7.060 -10.953 -2.430 1.00 0.00 C ATOM 282 OE1 GLN A 66 -6.492 -9.862 -2.372 1.00 0.00 O ATOM 283 NE2 GLN A 66 -8.126 -11.165 -3.197 1.00 0.00 N ATOM 0 H GLN A 66 -3.739 -12.623 0.227 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.573 -10.581 -1.458 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.748 -12.608 0.301 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.718 -11.149 0.277 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.818 -12.676 -2.191 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.396 -12.819 -1.443 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.566 -12.085 -3.215 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -8.503 -10.408 -3.767 1.00 0.00 H new ATOM 292 N LEU A 67 -4.190 -8.531 -0.038 1.00 0.00 N ATOM 293 CA LEU A 67 -4.224 -7.255 0.666 1.00 0.00 C ATOM 294 C LEU A 67 -3.578 -7.363 2.046 1.00 0.00 C ATOM 295 O LEU A 67 -3.781 -6.502 2.900 1.00 0.00 O ATOM 296 CB LEU A 67 -5.667 -6.765 0.805 1.00 0.00 C ATOM 297 CG LEU A 67 -6.533 -6.942 -0.443 1.00 0.00 C ATOM 298 CD1 LEU A 67 -8.010 -6.889 -0.081 1.00 0.00 C ATOM 299 CD2 LEU A 67 -6.198 -5.878 -1.477 1.00 0.00 C ATOM 0 H LEU A 67 -3.645 -8.521 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.653 -6.536 0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.137 -7.296 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.652 -5.708 1.071 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.321 -7.921 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.610 -7.017 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.240 -7.687 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.239 -5.925 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.823 -6.018 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.382 -4.890 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.148 -5.962 -1.759 1.00 0.00 H new ATOM 311 N PHE A 68 -2.798 -8.420 2.263 1.00 0.00 N ATOM 312 CA PHE A 68 -2.131 -8.617 3.546 1.00 0.00 C ATOM 313 C PHE A 68 -0.650 -8.259 3.454 1.00 0.00 C ATOM 314 O PHE A 68 0.166 -9.065 3.002 1.00 0.00 O ATOM 315 CB PHE A 68 -2.290 -10.065 4.011 1.00 0.00 C ATOM 316 CG PHE A 68 -2.497 -10.202 5.492 1.00 0.00 C ATOM 317 CD1 PHE A 68 -3.719 -9.893 6.066 1.00 0.00 C ATOM 318 CD2 PHE A 68 -1.467 -10.639 6.311 1.00 0.00 C ATOM 319 CE1 PHE A 68 -3.912 -10.020 7.429 1.00 0.00 C ATOM 320 CE2 PHE A 68 -1.653 -10.767 7.675 1.00 0.00 C ATOM 321 CZ PHE A 68 -2.878 -10.456 8.234 1.00 0.00 C ATOM 0 H PHE A 68 -2.614 -9.148 1.572 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.600 -7.955 4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.137 -10.514 3.491 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.403 -10.630 3.723 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.530 -9.549 5.442 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.508 -10.882 5.878 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.871 -9.778 7.864 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.843 -11.109 8.302 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.027 -10.554 9.299 1.00 0.00 H new ATOM 331 N LEU A 69 -0.307 -7.050 3.887 1.00 0.00 N ATOM 332 CA LEU A 69 1.078 -6.591 3.856 1.00 0.00 C ATOM 333 C LEU A 69 1.208 -5.199 4.472 1.00 0.00 C ATOM 334 O LEU A 69 1.739 -5.046 5.572 1.00 0.00 O ATOM 335 CB LEU A 69 1.609 -6.582 2.420 1.00 0.00 C ATOM 336 CG LEU A 69 3.109 -6.842 2.282 1.00 0.00 C ATOM 337 CD1 LEU A 69 3.514 -6.880 0.817 1.00 0.00 C ATOM 338 CD2 LEU A 69 3.903 -5.781 3.030 1.00 0.00 C ATOM 0 H LEU A 69 -0.968 -6.371 4.263 1.00 0.00 H new ATOM 0 HA LEU A 69 1.674 -7.286 4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.071 -7.336 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.381 -5.616 1.971 1.00 0.00 H new ATOM 0 HG LEU A 69 3.332 -7.814 2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.585 -7.066 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.970 -7.677 0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.277 -5.924 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.969 -5.981 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.674 -4.798 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.635 -5.803 4.086 1.00 0.00 H new ATOM 350 N LEU A 70 0.724 -4.187 3.758 1.00 0.00 N ATOM 351 CA LEU A 70 0.792 -2.813 4.236 1.00 0.00 C ATOM 352 C LEU A 70 -0.392 -1.995 3.717 1.00 0.00 C ATOM 353 O LEU A 70 -0.947 -1.165 4.436 1.00 0.00 O ATOM 354 CB LEU A 70 2.130 -2.186 3.822 1.00 0.00 C ATOM 355 CG LEU A 70 2.031 -0.851 3.097 1.00 0.00 C ATOM 356 CD1 LEU A 70 1.899 0.288 4.095 1.00 0.00 C ATOM 357 CD2 LEU A 70 3.233 -0.640 2.190 1.00 0.00 C ATOM 0 H LEU A 70 0.280 -4.294 2.846 1.00 0.00 H new ATOM 0 HA LEU A 70 0.732 -2.813 5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.740 -2.050 4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.658 -2.890 3.179 1.00 0.00 H new ATOM 0 HG LEU A 70 1.137 -0.864 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.829 1.235 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.001 0.144 4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.772 0.303 4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.141 0.320 1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.145 -0.649 2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.275 -1.439 1.450 1.00 0.00 H new ATOM 369 N ILE A 71 -0.773 -2.233 2.463 1.00 0.00 N ATOM 370 CA ILE A 71 -1.887 -1.515 1.846 1.00 0.00 C ATOM 371 C ILE A 71 -3.119 -1.506 2.750 1.00 0.00 C ATOM 372 O ILE A 71 -3.947 -0.598 2.673 1.00 0.00 O ATOM 373 CB ILE A 71 -2.275 -2.129 0.486 1.00 0.00 C ATOM 374 CG1 ILE A 71 -1.031 -2.373 -0.375 1.00 0.00 C ATOM 375 CG2 ILE A 71 -3.256 -1.222 -0.244 1.00 0.00 C ATOM 376 CD1 ILE A 71 -0.115 -1.173 -0.481 1.00 0.00 C ATOM 0 H ILE A 71 -0.326 -2.918 1.854 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.544 -0.492 1.694 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.757 -3.089 0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.471 -3.210 0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.346 -2.667 -1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.521 -1.669 -1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.155 -1.098 0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.795 -0.249 -0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.742 -1.424 -1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.658 -0.339 -0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.231 -0.890 0.513 1.00 0.00 H new ATOM 388 N PHE A 72 -3.236 -2.519 3.602 1.00 0.00 N ATOM 389 CA PHE A 72 -4.369 -2.623 4.514 1.00 0.00 C ATOM 390 C PHE A 72 -3.955 -2.277 5.943 1.00 0.00 C ATOM 391 O PHE A 72 -3.775 -3.162 6.780 1.00 0.00 O ATOM 392 CB PHE A 72 -4.962 -4.033 4.464 1.00 0.00 C ATOM 393 CG PHE A 72 -6.462 -4.053 4.394 1.00 0.00 C ATOM 394 CD1 PHE A 72 -7.225 -4.002 5.549 1.00 0.00 C ATOM 395 CD2 PHE A 72 -7.110 -4.125 3.171 1.00 0.00 C ATOM 396 CE1 PHE A 72 -8.606 -4.020 5.488 1.00 0.00 C ATOM 397 CE2 PHE A 72 -8.490 -4.143 3.101 1.00 0.00 C ATOM 398 CZ PHE A 72 -9.239 -4.092 4.261 1.00 0.00 C ATOM 0 H PHE A 72 -2.560 -3.279 3.680 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.127 -1.907 4.196 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.559 -4.557 3.597 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.641 -4.585 5.347 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.735 -3.947 6.510 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.529 -4.168 2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.189 -3.978 6.396 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -8.982 -4.197 2.141 1.00 0.00 H new ATOM 0 HZ PHE A 72 -10.318 -4.108 4.209 1.00 0.00 H new ATOM 408 N PRO A 73 -3.799 -0.975 6.245 1.00 0.00 N ATOM 409 CA PRO A 73 -3.404 -0.516 7.581 1.00 0.00 C ATOM 410 C PRO A 73 -4.501 -0.738 8.617 1.00 0.00 C ATOM 411 O PRO A 73 -4.242 -1.236 9.713 1.00 0.00 O ATOM 412 CB PRO A 73 -3.150 0.980 7.384 1.00 0.00 C ATOM 413 CG PRO A 73 -3.982 1.354 6.206 1.00 0.00 C ATOM 414 CD PRO A 73 -3.993 0.149 5.309 1.00 0.00 C ATOM 0 HA PRO A 73 -2.540 -1.062 7.960 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.437 1.550 8.268 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.094 1.182 7.203 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -4.993 1.622 6.512 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.564 2.220 5.692 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.934 0.061 4.765 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.198 0.194 4.565 1.00 0.00 H new ATOM 422 N ARG A 74 -5.727 -0.364 8.265 1.00 0.00 N ATOM 423 CA ARG A 74 -6.863 -0.523 9.166 1.00 0.00 C ATOM 424 C ARG A 74 -8.174 -0.189 8.458 1.00 0.00 C ATOM 425 O ARG A 74 -8.766 0.865 8.691 1.00 0.00 O ATOM 426 CB ARG A 74 -6.691 0.370 10.397 1.00 0.00 C ATOM 427 CG ARG A 74 -7.231 -0.246 11.677 1.00 0.00 C ATOM 428 CD ARG A 74 -8.695 0.106 11.889 1.00 0.00 C ATOM 429 NE ARG A 74 -9.392 -0.909 12.676 1.00 0.00 N ATOM 430 CZ ARG A 74 -9.304 -1.009 14.000 1.00 0.00 C ATOM 431 NH1 ARG A 74 -8.550 -0.164 14.688 1.00 0.00 N ATOM 432 NH2 ARG A 74 -9.973 -1.962 14.638 1.00 0.00 N ATOM 0 H ARG A 74 -5.959 0.051 7.363 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.900 -1.565 9.483 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.632 0.592 10.529 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.196 1.320 10.220 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.118 -1.329 11.637 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.645 0.104 12.526 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.767 1.069 12.394 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.186 0.215 10.922 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.980 -1.580 12.182 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.032 0.569 14.203 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.487 -0.246 15.703 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.553 -2.616 14.113 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.906 -2.040 15.653 1.00 0.00 H new ATOM 446 N GLU A 75 -8.619 -1.097 7.595 1.00 0.00 N ATOM 447 CA GLU A 75 -9.861 -0.908 6.849 1.00 0.00 C ATOM 448 C GLU A 75 -9.727 0.231 5.839 1.00 0.00 C ATOM 449 O GLU A 75 -9.708 0.000 4.631 1.00 0.00 O ATOM 450 CB GLU A 75 -11.025 -0.627 7.802 1.00 0.00 C ATOM 451 CG GLU A 75 -11.159 -1.651 8.918 1.00 0.00 C ATOM 452 CD GLU A 75 -11.656 -1.043 10.213 1.00 0.00 C ATOM 453 OE1 GLU A 75 -11.371 0.149 10.458 1.00 0.00 O ATOM 454 OE2 GLU A 75 -12.333 -1.756 10.983 1.00 0.00 O ATOM 0 H GLU A 75 -8.138 -1.973 7.394 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.065 -1.830 6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.893 0.362 8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.953 -0.601 7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.845 -2.437 8.604 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.192 -2.123 9.091 1.00 0.00 H new ATOM 461 N ASP A 76 -9.634 1.457 6.343 1.00 0.00 N ATOM 462 CA ASP A 76 -9.504 2.627 5.484 1.00 0.00 C ATOM 463 C ASP A 76 -8.128 2.667 4.823 1.00 0.00 C ATOM 464 O ASP A 76 -7.114 2.378 5.458 1.00 0.00 O ATOM 465 CB ASP A 76 -9.729 3.907 6.291 1.00 0.00 C ATOM 466 CG ASP A 76 -9.702 5.150 5.425 1.00 0.00 C ATOM 467 OD1 ASP A 76 -8.593 5.597 5.063 1.00 0.00 O ATOM 468 OD2 ASP A 76 -10.788 5.678 5.107 1.00 0.00 O ATOM 0 H ASP A 76 -9.646 1.666 7.341 1.00 0.00 H new ATOM 0 HA ASP A 76 -10.262 2.559 4.704 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.689 3.846 6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.961 3.987 7.061 1.00 0.00 H new ATOM 473 N LEU A 77 -8.103 3.028 3.544 1.00 0.00 N ATOM 474 CA LEU A 77 -6.853 3.108 2.798 1.00 0.00 C ATOM 475 C LEU A 77 -6.376 4.553 2.688 1.00 0.00 C ATOM 476 O LEU A 77 -7.144 5.446 2.334 1.00 0.00 O ATOM 477 CB LEU A 77 -7.029 2.509 1.400 1.00 0.00 C ATOM 478 CG LEU A 77 -8.136 3.146 0.557 1.00 0.00 C ATOM 479 CD1 LEU A 77 -7.539 3.994 -0.558 1.00 0.00 C ATOM 480 CD2 LEU A 77 -9.053 2.077 -0.019 1.00 0.00 C ATOM 0 H LEU A 77 -8.934 3.269 3.003 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.099 2.536 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.086 2.599 0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.238 1.444 1.501 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.728 3.794 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.342 4.439 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.926 4.784 -0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.922 3.367 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.833 2.550 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.474 1.402 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.509 1.512 0.794 1.00 0.00 H new ATOM 492 N ASP A 78 -5.102 4.774 2.997 1.00 0.00 N ATOM 493 CA ASP A 78 -4.521 6.110 2.935 1.00 0.00 C ATOM 494 C ASP A 78 -3.030 6.073 3.264 1.00 0.00 C ATOM 495 O ASP A 78 -2.230 6.781 2.651 1.00 0.00 O ATOM 496 CB ASP A 78 -5.245 7.050 3.900 1.00 0.00 C ATOM 497 CG ASP A 78 -6.290 7.901 3.204 1.00 0.00 C ATOM 498 OD1 ASP A 78 -5.979 8.472 2.139 1.00 0.00 O ATOM 499 OD2 ASP A 78 -7.421 7.995 3.726 1.00 0.00 O ATOM 0 H ASP A 78 -4.453 4.045 3.293 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.640 6.483 1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.722 6.463 4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.516 7.699 4.386 1.00 0.00 H new ATOM 504 N MET A 79 -2.665 5.242 4.235 1.00 0.00 N ATOM 505 CA MET A 79 -1.270 5.110 4.647 1.00 0.00 C ATOM 506 C MET A 79 -0.380 4.739 3.463 1.00 0.00 C ATOM 507 O MET A 79 0.827 4.986 3.483 1.00 0.00 O ATOM 508 CB MET A 79 -1.140 4.053 5.746 1.00 0.00 C ATOM 509 CG MET A 79 -1.994 4.338 6.970 1.00 0.00 C ATOM 510 SD MET A 79 -1.196 3.832 8.506 1.00 0.00 S ATOM 511 CE MET A 79 -2.417 4.350 9.709 1.00 0.00 C ATOM 0 H MET A 79 -3.315 4.650 4.752 1.00 0.00 H new ATOM 0 HA MET A 79 -0.941 6.074 5.035 1.00 0.00 H new ATOM 0 HB2 MET A 79 -1.418 3.081 5.338 1.00 0.00 H new ATOM 0 HB3 MET A 79 -0.096 3.984 6.050 1.00 0.00 H new ATOM 0 HG2 MET A 79 -2.215 5.404 7.014 1.00 0.00 H new ATOM 0 HG3 MET A 79 -2.947 3.819 6.872 1.00 0.00 H new ATOM 0 HE1 MET A 79 -2.067 4.104 10.712 1.00 0.00 H new ATOM 0 HE2 MET A 79 -2.570 5.426 9.632 1.00 0.00 H new ATOM 0 HE3 MET A 79 -3.358 3.835 9.517 1.00 0.00 H new ATOM 521 N ILE A 80 -0.980 4.144 2.436 1.00 0.00 N ATOM 522 CA ILE A 80 -0.238 3.738 1.248 1.00 0.00 C ATOM 523 C ILE A 80 0.374 4.941 0.538 1.00 0.00 C ATOM 524 O ILE A 80 1.567 4.950 0.228 1.00 0.00 O ATOM 525 CB ILE A 80 -1.141 2.980 0.254 1.00 0.00 C ATOM 526 CG1 ILE A 80 -1.976 1.927 0.986 1.00 0.00 C ATOM 527 CG2 ILE A 80 -0.301 2.336 -0.837 1.00 0.00 C ATOM 528 CD1 ILE A 80 -3.399 2.364 1.252 1.00 0.00 C ATOM 0 H ILE A 80 -1.977 3.933 2.403 1.00 0.00 H new ATOM 0 HA ILE A 80 0.559 3.076 1.588 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.822 3.693 -0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.990 1.011 0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.495 1.688 1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.952 1.804 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.250 3.107 -1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.402 1.634 -0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.932 1.569 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.394 3.263 1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.898 2.576 0.306 1.00 0.00 H new ATOM 540 N LEU A 81 -0.447 5.953 0.277 1.00 0.00 N ATOM 541 CA LEU A 81 0.014 7.160 -0.403 1.00 0.00 C ATOM 542 C LEU A 81 0.549 8.191 0.589 1.00 0.00 C ATOM 543 O LEU A 81 1.163 9.182 0.192 1.00 0.00 O ATOM 544 CB LEU A 81 -1.125 7.771 -1.222 1.00 0.00 C ATOM 545 CG LEU A 81 -2.444 7.946 -0.464 1.00 0.00 C ATOM 546 CD1 LEU A 81 -2.987 9.355 -0.652 1.00 0.00 C ATOM 547 CD2 LEU A 81 -3.465 6.915 -0.923 1.00 0.00 C ATOM 0 H LEU A 81 -1.436 5.962 0.526 1.00 0.00 H new ATOM 0 HA LEU A 81 0.829 6.876 -1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.804 8.744 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.305 7.141 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.252 7.791 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.924 9.460 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.264 10.077 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.162 9.539 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.396 7.055 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.652 7.038 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.080 5.913 -0.735 1.00 0.00 H new ATOM 559 N LYS A 82 0.314 7.960 1.879 1.00 0.00 N ATOM 560 CA LYS A 82 0.775 8.880 2.913 1.00 0.00 C ATOM 561 C LYS A 82 2.188 8.530 3.373 1.00 0.00 C ATOM 562 O LYS A 82 2.905 9.380 3.902 1.00 0.00 O ATOM 563 CB LYS A 82 -0.182 8.859 4.107 1.00 0.00 C ATOM 564 CG LYS A 82 -1.415 9.728 3.913 1.00 0.00 C ATOM 565 CD LYS A 82 -1.795 10.452 5.194 1.00 0.00 C ATOM 566 CE LYS A 82 -2.347 9.490 6.233 1.00 0.00 C ATOM 567 NZ LYS A 82 -2.368 10.094 7.594 1.00 0.00 N ATOM 0 H LYS A 82 -0.191 7.147 2.231 1.00 0.00 H new ATOM 0 HA LYS A 82 0.793 9.882 2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.497 7.832 4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.352 9.194 4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.227 10.457 3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.249 9.109 3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.921 10.963 5.598 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.539 11.218 4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.357 9.193 5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.741 8.584 6.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.751 9.406 8.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.401 10.354 7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.967 10.944 7.587 1.00 0.00 H new ATOM 581 N MET A 83 2.584 7.277 3.173 1.00 0.00 N ATOM 582 CA MET A 83 3.911 6.823 3.569 1.00 0.00 C ATOM 583 C MET A 83 4.731 6.407 2.354 1.00 0.00 C ATOM 584 O MET A 83 5.911 6.740 2.245 1.00 0.00 O ATOM 585 CB MET A 83 3.801 5.655 4.551 1.00 0.00 C ATOM 586 CG MET A 83 3.368 6.072 5.947 1.00 0.00 C ATOM 587 SD MET A 83 4.163 5.099 7.240 1.00 0.00 S ATOM 588 CE MET A 83 3.332 3.525 7.039 1.00 0.00 C ATOM 0 H MET A 83 2.004 6.559 2.739 1.00 0.00 H new ATOM 0 HA MET A 83 4.420 7.653 4.058 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.088 4.929 4.160 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.766 5.152 4.614 1.00 0.00 H new ATOM 0 HG2 MET A 83 3.601 7.126 6.096 1.00 0.00 H new ATOM 0 HG3 MET A 83 2.286 5.969 6.034 1.00 0.00 H new ATOM 0 HE1 MET A 83 3.716 2.815 7.771 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.261 3.657 7.190 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.513 3.144 6.034 1.00 0.00 H new ATOM 598 N ASP A 84 4.098 5.677 1.441 1.00 0.00 N ATOM 599 CA ASP A 84 4.768 5.215 0.231 1.00 0.00 C ATOM 600 C ASP A 84 4.294 6.001 -0.986 1.00 0.00 C ATOM 601 O ASP A 84 3.329 5.618 -1.648 1.00 0.00 O ATOM 602 CB ASP A 84 4.513 3.721 0.020 1.00 0.00 C ATOM 603 CG ASP A 84 5.575 2.855 0.667 1.00 0.00 C ATOM 604 OD1 ASP A 84 5.414 2.507 1.856 1.00 0.00 O ATOM 605 OD2 ASP A 84 6.570 2.527 -0.013 1.00 0.00 O ATOM 0 H ASP A 84 3.121 5.393 1.516 1.00 0.00 H new ATOM 0 HA ASP A 84 5.839 5.379 0.353 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.537 3.461 0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.477 3.509 -1.049 1.00 0.00 H new ATOM 610 N SER A 85 4.977 7.104 -1.273 1.00 0.00 N ATOM 611 CA SER A 85 4.625 7.947 -2.412 1.00 0.00 C ATOM 612 C SER A 85 5.811 8.801 -2.843 1.00 0.00 C ATOM 613 O SER A 85 6.702 9.093 -2.046 1.00 0.00 O ATOM 614 CB SER A 85 3.436 8.842 -2.060 1.00 0.00 C ATOM 615 OG SER A 85 3.751 9.709 -0.983 1.00 0.00 O ATOM 0 H SER A 85 5.777 7.436 -0.734 1.00 0.00 H new ATOM 0 HA SER A 85 4.349 7.298 -3.243 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.149 9.430 -2.932 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.578 8.224 -1.795 1.00 0.00 H new ATOM 0 HG SER A 85 3.003 9.730 -0.351 1.00 0.00 H new ATOM 621 N LEU A 86 5.817 9.199 -4.112 1.00 0.00 N ATOM 622 CA LEU A 86 6.896 10.021 -4.650 1.00 0.00 C ATOM 623 C LEU A 86 6.569 11.509 -4.535 1.00 0.00 C ATOM 624 O LEU A 86 7.232 12.347 -5.147 1.00 0.00 O ATOM 625 CB LEU A 86 7.163 9.653 -6.112 1.00 0.00 C ATOM 626 CG LEU A 86 8.352 8.715 -6.335 1.00 0.00 C ATOM 627 CD1 LEU A 86 7.916 7.459 -7.075 1.00 0.00 C ATOM 628 CD2 LEU A 86 9.460 9.427 -7.098 1.00 0.00 C ATOM 0 H LEU A 86 5.088 8.966 -4.786 1.00 0.00 H new ATOM 0 HA LEU A 86 7.793 9.825 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.268 9.185 -6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.331 10.570 -6.677 1.00 0.00 H new ATOM 0 HG LEU A 86 8.740 8.420 -5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.777 6.807 -7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.160 6.936 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.498 7.734 -8.044 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.296 8.744 -7.247 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.082 9.755 -8.067 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.796 10.293 -6.528 1.00 0.00 H new ATOM 640 N ARG A 87 5.548 11.836 -3.744 1.00 0.00 N ATOM 641 CA ARG A 87 5.146 13.224 -3.551 1.00 0.00 C ATOM 642 C ARG A 87 4.747 13.873 -4.873 1.00 0.00 C ATOM 643 O ARG A 87 4.864 15.085 -5.036 1.00 0.00 O ATOM 644 CB ARG A 87 6.281 14.016 -2.902 1.00 0.00 C ATOM 645 CG ARG A 87 6.831 13.366 -1.641 1.00 0.00 C ATOM 646 CD ARG A 87 6.736 14.292 -0.440 1.00 0.00 C ATOM 647 NE ARG A 87 8.047 14.774 -0.014 1.00 0.00 N ATOM 648 CZ ARG A 87 8.230 15.843 0.760 1.00 0.00 C ATOM 649 NH1 ARG A 87 7.189 16.544 1.191 1.00 0.00 N ATOM 650 NH2 ARG A 87 9.457 16.210 1.101 1.00 0.00 N ATOM 0 H ARG A 87 4.986 11.158 -3.228 1.00 0.00 H new ATOM 0 HA ARG A 87 4.278 13.234 -2.892 1.00 0.00 H new ATOM 0 HB2 ARG A 87 7.090 14.134 -3.623 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.923 15.016 -2.659 1.00 0.00 H new ATOM 0 HG2 ARG A 87 6.281 12.448 -1.436 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.872 13.085 -1.802 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.100 15.142 -0.687 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.257 13.766 0.386 1.00 0.00 H new ATOM 0 HE ARG A 87 8.872 14.262 -0.328 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.243 16.265 0.930 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.335 17.362 1.783 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.260 15.674 0.771 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.598 17.028 1.693 1.00 0.00 H new ATOM 664 N ASP A 88 4.271 13.064 -5.813 1.00 0.00 N ATOM 665 CA ASP A 88 3.853 13.572 -7.115 1.00 0.00 C ATOM 666 C ASP A 88 2.528 14.331 -7.010 1.00 0.00 C ATOM 667 O ASP A 88 2.153 15.073 -7.921 1.00 0.00 O ATOM 668 CB ASP A 88 3.720 12.421 -8.115 1.00 0.00 C ATOM 669 CG ASP A 88 4.295 12.768 -9.475 1.00 0.00 C ATOM 670 OD1 ASP A 88 5.534 12.713 -9.627 1.00 0.00 O ATOM 671 OD2 ASP A 88 3.508 13.094 -10.387 1.00 0.00 O ATOM 0 H ASP A 88 4.165 12.056 -5.699 1.00 0.00 H new ATOM 0 HA ASP A 88 4.617 14.265 -7.468 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.229 11.541 -7.722 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.668 12.158 -8.225 1.00 0.00 H new ATOM 676 N ILE A 89 1.838 14.156 -5.885 1.00 0.00 N ATOM 677 CA ILE A 89 0.569 14.829 -5.647 1.00 0.00 C ATOM 678 C ILE A 89 0.822 16.123 -4.903 1.00 0.00 C ATOM 679 O ILE A 89 0.377 17.193 -5.319 1.00 0.00 O ATOM 680 CB ILE A 89 -0.404 13.954 -4.833 1.00 0.00 C ATOM 681 CG1 ILE A 89 -0.412 12.522 -5.368 1.00 0.00 C ATOM 682 CG2 ILE A 89 -1.805 14.549 -4.864 1.00 0.00 C ATOM 683 CD1 ILE A 89 -1.057 12.395 -6.726 1.00 0.00 C ATOM 0 H ILE A 89 2.141 13.550 -5.122 1.00 0.00 H new ATOM 0 HA ILE A 89 0.109 15.027 -6.615 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.065 13.929 -3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.614 12.157 -5.425 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.939 11.881 -4.662 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.481 13.920 -4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.784 15.551 -4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.154 14.603 -5.895 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.029 11.353 -7.046 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.093 12.729 -6.670 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.516 13.010 -7.445 1.00 0.00 H new ATOM 695 N GLU A 90 1.582 16.019 -3.820 1.00 0.00 N ATOM 696 CA GLU A 90 1.947 17.186 -3.040 1.00 0.00 C ATOM 697 C GLU A 90 2.791 18.110 -3.908 1.00 0.00 C ATOM 698 O GLU A 90 2.888 19.309 -3.655 1.00 0.00 O ATOM 699 CB GLU A 90 2.723 16.770 -1.786 1.00 0.00 C ATOM 700 CG GLU A 90 3.254 17.944 -0.979 1.00 0.00 C ATOM 701 CD GLU A 90 3.133 17.725 0.516 1.00 0.00 C ATOM 702 OE1 GLU A 90 4.033 17.082 1.098 1.00 0.00 O ATOM 703 OE2 GLU A 90 2.138 18.196 1.107 1.00 0.00 O ATOM 0 H GLU A 90 1.955 15.138 -3.465 1.00 0.00 H new ATOM 0 HA GLU A 90 1.046 17.709 -2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.074 16.168 -1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 90 3.559 16.135 -2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.300 18.112 -1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 90 2.709 18.847 -1.256 1.00 0.00 H new ATOM 710 N ALA A 91 3.393 17.527 -4.947 1.00 0.00 N ATOM 711 CA ALA A 91 4.220 18.273 -5.882 1.00 0.00 C ATOM 712 C ALA A 91 3.357 18.863 -6.988 1.00 0.00 C ATOM 713 O ALA A 91 3.397 20.067 -7.247 1.00 0.00 O ATOM 714 CB ALA A 91 5.298 17.376 -6.471 1.00 0.00 C ATOM 0 H ALA A 91 3.318 16.532 -5.158 1.00 0.00 H new ATOM 0 HA ALA A 91 4.706 19.088 -5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.908 17.950 -7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.929 16.991 -5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 91 4.831 16.544 -6.997 1.00 0.00 H new ATOM 720 N LEU A 92 2.549 18.012 -7.620 1.00 0.00 N ATOM 721 CA LEU A 92 1.654 18.471 -8.676 1.00 0.00 C ATOM 722 C LEU A 92 0.826 19.648 -8.170 1.00 0.00 C ATOM 723 O LEU A 92 0.409 20.512 -8.941 1.00 0.00 O ATOM 724 CB LEU A 92 0.732 17.339 -9.139 1.00 0.00 C ATOM 725 CG LEU A 92 1.137 16.669 -10.453 1.00 0.00 C ATOM 726 CD1 LEU A 92 0.955 17.629 -11.619 1.00 0.00 C ATOM 727 CD2 LEU A 92 2.575 16.177 -10.384 1.00 0.00 C ATOM 0 H LEU A 92 2.497 17.013 -7.421 1.00 0.00 H new ATOM 0 HA LEU A 92 2.254 18.790 -9.528 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.695 16.579 -8.358 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.278 17.735 -9.247 1.00 0.00 H new ATOM 0 HG LEU A 92 0.489 15.807 -10.612 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.248 17.136 -12.546 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.091 17.930 -11.683 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.577 18.511 -11.465 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.843 15.704 -11.328 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.240 17.021 -10.199 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.674 15.454 -9.575 1.00 0.00 H new ATOM 739 N LEU A 93 0.616 19.677 -6.857 1.00 0.00 N ATOM 740 CA LEU A 93 -0.135 20.747 -6.224 1.00 0.00 C ATOM 741 C LEU A 93 0.808 21.865 -5.797 1.00 0.00 C ATOM 742 O LEU A 93 0.471 23.042 -5.890 1.00 0.00 O ATOM 743 CB LEU A 93 -0.907 20.216 -5.015 1.00 0.00 C ATOM 744 CG LEU A 93 -2.337 20.745 -4.872 1.00 0.00 C ATOM 745 CD1 LEU A 93 -2.324 22.216 -4.490 1.00 0.00 C ATOM 746 CD2 LEU A 93 -3.114 20.532 -6.162 1.00 0.00 C ATOM 0 H LEU A 93 0.959 18.966 -6.211 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.851 21.144 -6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.943 19.128 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.352 20.466 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.834 20.189 -4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.348 22.576 -4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.804 22.341 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.811 22.788 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.128 20.914 -6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.620 21.062 -6.976 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.152 19.467 -6.393 1.00 0.00 H new ATOM 758 N THR A 94 2.000 21.490 -5.339 1.00 0.00 N ATOM 759 CA THR A 94 2.983 22.482 -4.912 1.00 0.00 C ATOM 760 C THR A 94 3.425 23.354 -6.090 1.00 0.00 C ATOM 761 O THR A 94 4.056 24.392 -5.896 1.00 0.00 O ATOM 762 CB THR A 94 4.196 21.795 -4.272 1.00 0.00 C ATOM 763 OG1 THR A 94 3.892 21.380 -2.953 1.00 0.00 O ATOM 764 CG2 THR A 94 5.427 22.677 -4.193 1.00 0.00 C ATOM 0 H THR A 94 2.306 20.521 -5.255 1.00 0.00 H new ATOM 0 HA THR A 94 2.514 23.126 -4.168 1.00 0.00 H new ATOM 0 HB THR A 94 4.418 20.949 -4.923 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.189 20.697 -2.979 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.243 22.122 -3.729 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.721 22.982 -5.197 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.204 23.561 -3.596 1.00 0.00 H new ATOM 772 N GLY A 95 3.100 22.927 -7.310 1.00 0.00 N ATOM 773 CA GLY A 95 3.485 23.686 -8.485 1.00 0.00 C ATOM 774 C GLY A 95 2.304 24.086 -9.353 1.00 0.00 C ATOM 775 O GLY A 95 2.354 25.106 -10.037 1.00 0.00 O ATOM 0 H GLY A 95 2.579 22.072 -7.503 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.017 24.584 -8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.181 23.094 -9.080 1.00 0.00 H new ATOM 779 N LEU A 96 1.242 23.281 -9.334 1.00 0.00 N ATOM 780 CA LEU A 96 0.060 23.573 -10.141 1.00 0.00 C ATOM 781 C LEU A 96 -1.060 24.192 -9.309 1.00 0.00 C ATOM 782 O LEU A 96 -2.156 24.436 -9.814 1.00 0.00 O ATOM 783 CB LEU A 96 -0.439 22.302 -10.824 1.00 0.00 C ATOM 784 CG LEU A 96 -0.943 22.485 -12.257 1.00 0.00 C ATOM 785 CD1 LEU A 96 -2.242 23.275 -12.270 1.00 0.00 C ATOM 786 CD2 LEU A 96 0.110 23.176 -13.110 1.00 0.00 C ATOM 0 H LEU A 96 1.176 22.431 -8.775 1.00 0.00 H new ATOM 0 HA LEU A 96 0.352 24.302 -10.897 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.370 21.572 -10.831 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.245 21.879 -10.224 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.136 21.499 -12.681 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.585 23.395 -13.298 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.999 22.741 -11.695 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.075 24.257 -11.826 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.267 23.297 -14.126 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.336 24.155 -12.687 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.017 22.571 -13.129 1.00 0.00 H new ATOM 798 N PHE A 97 -0.779 24.436 -8.039 1.00 0.00 N ATOM 799 CA PHE A 97 -1.761 25.024 -7.121 1.00 0.00 C ATOM 800 C PHE A 97 -2.548 26.155 -7.787 1.00 0.00 C ATOM 801 O PHE A 97 -1.970 27.033 -8.425 1.00 0.00 O ATOM 802 CB PHE A 97 -1.067 25.556 -5.866 1.00 0.00 C ATOM 803 CG PHE A 97 0.089 26.469 -6.159 1.00 0.00 C ATOM 804 CD1 PHE A 97 -0.130 27.785 -6.529 1.00 0.00 C ATOM 805 CD2 PHE A 97 1.394 26.014 -6.064 1.00 0.00 C ATOM 806 CE1 PHE A 97 0.930 28.630 -6.800 1.00 0.00 C ATOM 807 CE2 PHE A 97 2.458 26.854 -6.333 1.00 0.00 C ATOM 808 CZ PHE A 97 2.225 28.165 -6.702 1.00 0.00 C ATOM 0 H PHE A 97 0.125 24.237 -7.611 1.00 0.00 H new ATOM 0 HA PHE A 97 -2.461 24.235 -6.845 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.796 26.091 -5.257 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.712 24.713 -5.272 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.141 28.156 -6.607 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.582 24.990 -5.776 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.744 29.654 -7.088 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.470 26.486 -6.255 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.054 28.824 -6.913 1.00 0.00 H new ATOM 818 N VAL A 98 -3.869 26.122 -7.617 1.00 0.00 N ATOM 819 CA VAL A 98 -4.762 27.133 -8.182 1.00 0.00 C ATOM 820 C VAL A 98 -4.524 27.335 -9.679 1.00 0.00 C ATOM 821 O VAL A 98 -3.540 26.850 -10.237 1.00 0.00 O ATOM 822 CB VAL A 98 -4.629 28.481 -7.429 1.00 0.00 C ATOM 823 CG1 VAL A 98 -3.413 29.281 -7.889 1.00 0.00 C ATOM 824 CG2 VAL A 98 -5.902 29.301 -7.578 1.00 0.00 C ATOM 0 H VAL A 98 -4.349 25.396 -7.085 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.779 26.762 -8.055 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.479 28.251 -6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.362 30.217 -7.333 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.507 28.702 -7.709 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.500 29.496 -8.954 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.792 30.244 -7.043 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.084 29.501 -8.634 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.743 28.745 -7.164 1.00 0.00 H new ATOM 993 N ALA B 52 4.009 -33.223 4.682 1.00 0.00 N ATOM 994 CA ALA B 52 3.169 -32.500 3.735 1.00 0.00 C ATOM 995 C ALA B 52 4.017 -31.712 2.742 1.00 0.00 C ATOM 996 O ALA B 52 4.884 -30.931 3.133 1.00 0.00 O ATOM 997 CB ALA B 52 2.219 -31.569 4.475 1.00 0.00 C ATOM 0 HA ALA B 52 2.583 -33.229 3.176 1.00 0.00 H new ATOM 0 HB1 ALA B 52 1.598 -31.036 3.755 1.00 0.00 H new ATOM 0 HB2 ALA B 52 1.583 -32.152 5.141 1.00 0.00 H new ATOM 0 HB3 ALA B 52 2.795 -30.851 5.060 1.00 0.00 H new ATOM 1003 N HIS B 53 3.762 -31.923 1.453 1.00 0.00 N ATOM 1004 CA HIS B 53 4.505 -31.232 0.405 1.00 0.00 C ATOM 1005 C HIS B 53 3.644 -30.160 -0.258 1.00 0.00 C ATOM 1006 O HIS B 53 2.994 -30.411 -1.271 1.00 0.00 O ATOM 1007 CB HIS B 53 4.995 -32.230 -0.644 1.00 0.00 C ATOM 1008 CG HIS B 53 3.938 -33.186 -1.104 1.00 0.00 C ATOM 1009 ND1 HIS B 53 3.673 -34.380 -0.467 1.00 0.00 N ATOM 1010 CD2 HIS B 53 3.075 -33.120 -2.146 1.00 0.00 C ATOM 1011 CE1 HIS B 53 2.696 -35.008 -1.097 1.00 0.00 C ATOM 1012 NE2 HIS B 53 2.316 -34.263 -2.119 1.00 0.00 N ATOM 0 H HIS B 53 3.048 -32.566 1.111 1.00 0.00 H new ATOM 0 HA HIS B 53 5.366 -30.747 0.865 1.00 0.00 H new ATOM 0 HB2 HIS B 53 5.376 -31.681 -1.505 1.00 0.00 H new ATOM 0 HB3 HIS B 53 5.830 -32.796 -0.232 1.00 0.00 H new ATOM 0 HD2 HIS B 53 2.998 -32.317 -2.864 1.00 0.00 H new ATOM 0 HE1 HIS B 53 2.280 -35.966 -0.823 1.00 0.00 H new ATOM 0 HE2 HIS B 53 1.577 -34.499 -2.782 1.00 0.00 H new ATOM 1021 N LEU B 54 3.648 -28.964 0.322 1.00 0.00 N ATOM 1022 CA LEU B 54 2.871 -27.851 -0.211 1.00 0.00 C ATOM 1023 C LEU B 54 3.736 -26.603 -0.394 1.00 0.00 C ATOM 1024 O LEU B 54 3.222 -25.522 -0.675 1.00 0.00 O ATOM 1025 CB LEU B 54 1.697 -27.533 0.718 1.00 0.00 C ATOM 1026 CG LEU B 54 0.449 -28.387 0.502 1.00 0.00 C ATOM 1027 CD1 LEU B 54 0.764 -29.859 0.719 1.00 0.00 C ATOM 1028 CD2 LEU B 54 -0.670 -27.938 1.430 1.00 0.00 C ATOM 0 H LEU B 54 4.181 -28.741 1.162 1.00 0.00 H new ATOM 0 HA LEU B 54 2.491 -28.150 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU B 54 2.027 -27.654 1.750 1.00 0.00 H new ATOM 0 HB3 LEU B 54 1.427 -26.485 0.591 1.00 0.00 H new ATOM 0 HG LEU B 54 0.117 -28.256 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -0.137 -30.451 0.561 1.00 0.00 H new ATOM 0 HD12 LEU B 54 1.534 -30.174 0.014 1.00 0.00 H new ATOM 0 HD13 LEU B 54 1.122 -30.008 1.738 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -1.552 -28.557 1.263 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -0.346 -28.039 2.466 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -0.915 -26.895 1.227 1.00 0.00 H new ATOM 1040 N THR B 55 5.051 -26.763 -0.229 1.00 0.00 N ATOM 1041 CA THR B 55 5.992 -25.653 -0.370 1.00 0.00 C ATOM 1042 C THR B 55 5.810 -24.930 -1.703 1.00 0.00 C ATOM 1043 O THR B 55 5.593 -23.717 -1.742 1.00 0.00 O ATOM 1044 CB THR B 55 7.428 -26.164 -0.257 1.00 0.00 C ATOM 1045 OG1 THR B 55 7.469 -27.401 0.432 1.00 0.00 O ATOM 1046 CG2 THR B 55 8.349 -25.204 0.464 1.00 0.00 C ATOM 0 H THR B 55 5.488 -27.655 0.003 1.00 0.00 H new ATOM 0 HA THR B 55 5.790 -24.944 0.433 1.00 0.00 H new ATOM 0 HB THR B 55 7.777 -26.274 -1.284 1.00 0.00 H new ATOM 0 HG1 THR B 55 8.397 -27.711 0.492 1.00 0.00 H new ATOM 0 HG21 THR B 55 9.352 -25.627 0.510 1.00 0.00 H new ATOM 0 HG22 THR B 55 8.379 -24.256 -0.073 1.00 0.00 H new ATOM 0 HG23 THR B 55 7.980 -25.036 1.476 1.00 0.00 H new ATOM 1054 N GLU B 56 5.910 -25.681 -2.793 1.00 0.00 N ATOM 1055 CA GLU B 56 5.765 -25.111 -4.128 1.00 0.00 C ATOM 1056 C GLU B 56 4.468 -24.318 -4.252 1.00 0.00 C ATOM 1057 O GLU B 56 4.447 -23.232 -4.828 1.00 0.00 O ATOM 1058 CB GLU B 56 5.803 -26.221 -5.180 1.00 0.00 C ATOM 1059 CG GLU B 56 7.085 -27.039 -5.159 1.00 0.00 C ATOM 1060 CD GLU B 56 6.827 -28.531 -5.238 1.00 0.00 C ATOM 1061 OE1 GLU B 56 5.960 -28.940 -6.037 1.00 0.00 O ATOM 1062 OE2 GLU B 56 7.494 -29.288 -4.502 1.00 0.00 O ATOM 0 H GLU B 56 6.091 -26.685 -2.780 1.00 0.00 H new ATOM 0 HA GLU B 56 6.597 -24.427 -4.296 1.00 0.00 H new ATOM 0 HB2 GLU B 56 4.955 -26.887 -5.023 1.00 0.00 H new ATOM 0 HB3 GLU B 56 5.682 -25.777 -6.168 1.00 0.00 H new ATOM 0 HG2 GLU B 56 7.717 -26.739 -5.995 1.00 0.00 H new ATOM 0 HG3 GLU B 56 7.638 -26.818 -4.246 1.00 0.00 H new ATOM 1069 N VAL B 57 3.387 -24.865 -3.711 1.00 0.00 N ATOM 1070 CA VAL B 57 2.089 -24.199 -3.771 1.00 0.00 C ATOM 1071 C VAL B 57 2.118 -22.866 -3.026 1.00 0.00 C ATOM 1072 O VAL B 57 1.539 -21.868 -3.482 1.00 0.00 O ATOM 1073 CB VAL B 57 0.962 -25.077 -3.194 1.00 0.00 C ATOM 1074 CG1 VAL B 57 -0.388 -24.616 -3.719 1.00 0.00 C ATOM 1075 CG2 VAL B 57 1.188 -26.546 -3.527 1.00 0.00 C ATOM 0 H VAL B 57 3.381 -25.763 -3.228 1.00 0.00 H new ATOM 0 HA VAL B 57 1.883 -24.020 -4.826 1.00 0.00 H new ATOM 0 HB VAL B 57 0.972 -24.971 -2.109 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -1.175 -25.246 -3.303 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -0.558 -23.580 -3.425 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -0.400 -24.691 -4.806 1.00 0.00 H new ATOM 0 HG21 VAL B 57 0.378 -27.143 -3.108 1.00 0.00 H new ATOM 0 HG22 VAL B 57 1.211 -26.674 -4.609 1.00 0.00 H new ATOM 0 HG23 VAL B 57 2.137 -26.873 -3.103 1.00 0.00 H new ATOM 1085 N GLU B 58 2.818 -22.837 -1.889 1.00 0.00 N ATOM 1086 CA GLU B 58 2.930 -21.609 -1.110 1.00 0.00 C ATOM 1087 C GLU B 58 3.610 -20.554 -1.954 1.00 0.00 C ATOM 1088 O GLU B 58 3.099 -19.455 -2.139 1.00 0.00 O ATOM 1089 CB GLU B 58 3.709 -21.812 0.196 1.00 0.00 C ATOM 1090 CG GLU B 58 3.768 -23.249 0.666 1.00 0.00 C ATOM 1091 CD GLU B 58 4.313 -23.386 2.074 1.00 0.00 C ATOM 1092 OE1 GLU B 58 5.536 -23.208 2.257 1.00 0.00 O ATOM 1093 OE2 GLU B 58 3.519 -23.674 2.994 1.00 0.00 O ATOM 0 H GLU B 58 3.308 -23.640 -1.494 1.00 0.00 H new ATOM 0 HA GLU B 58 1.924 -21.293 -0.835 1.00 0.00 H new ATOM 0 HB2 GLU B 58 4.726 -21.444 0.060 1.00 0.00 H new ATOM 0 HB3 GLU B 58 3.252 -21.205 0.977 1.00 0.00 H new ATOM 0 HG2 GLU B 58 2.768 -23.681 0.625 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.392 -23.824 -0.018 1.00 0.00 H new ATOM 1100 N SER B 59 4.754 -20.912 -2.502 1.00 0.00 N ATOM 1101 CA SER B 59 5.476 -19.999 -3.370 1.00 0.00 C ATOM 1102 C SER B 59 4.610 -19.662 -4.585 1.00 0.00 C ATOM 1103 O SER B 59 4.831 -18.666 -5.268 1.00 0.00 O ATOM 1104 CB SER B 59 6.799 -20.621 -3.822 1.00 0.00 C ATOM 1105 OG SER B 59 7.323 -19.943 -4.951 1.00 0.00 O ATOM 0 H SER B 59 5.201 -21.818 -2.365 1.00 0.00 H new ATOM 0 HA SER B 59 5.699 -19.086 -2.819 1.00 0.00 H new ATOM 0 HB2 SER B 59 7.520 -20.584 -3.005 1.00 0.00 H new ATOM 0 HB3 SER B 59 6.646 -21.673 -4.064 1.00 0.00 H new ATOM 0 HG SER B 59 8.169 -20.359 -5.219 1.00 0.00 H new ATOM 1111 N ARG B 60 3.626 -20.526 -4.847 1.00 0.00 N ATOM 1112 CA ARG B 60 2.726 -20.362 -5.974 1.00 0.00 C ATOM 1113 C ARG B 60 1.787 -19.189 -5.793 1.00 0.00 C ATOM 1114 O ARG B 60 1.950 -18.166 -6.451 1.00 0.00 O ATOM 1115 CB ARG B 60 1.909 -21.638 -6.190 1.00 0.00 C ATOM 1116 CG ARG B 60 1.429 -21.822 -7.622 1.00 0.00 C ATOM 1117 CD ARG B 60 2.592 -21.975 -8.590 1.00 0.00 C ATOM 1118 NE ARG B 60 3.419 -23.138 -8.276 1.00 0.00 N ATOM 1119 CZ ARG B 60 4.338 -23.638 -9.100 1.00 0.00 C ATOM 1120 NH1 ARG B 60 4.549 -23.082 -10.286 1.00 0.00 N ATOM 1121 NH2 ARG B 60 5.047 -24.697 -8.736 1.00 0.00 N ATOM 0 H ARG B 60 3.437 -21.354 -4.282 1.00 0.00 H new ATOM 0 HA ARG B 60 3.345 -20.163 -6.849 1.00 0.00 H new ATOM 0 HB2 ARG B 60 2.514 -22.499 -5.906 1.00 0.00 H new ATOM 0 HB3 ARG B 60 1.045 -21.622 -5.526 1.00 0.00 H new ATOM 0 HG2 ARG B 60 0.788 -22.702 -7.681 1.00 0.00 H new ATOM 0 HG3 ARG B 60 0.822 -20.966 -7.915 1.00 0.00 H new ATOM 0 HD2 ARG B 60 2.208 -22.068 -9.606 1.00 0.00 H new ATOM 0 HD3 ARG B 60 3.207 -21.075 -8.562 1.00 0.00 H new ATOM 0 HE ARG B 60 3.285 -23.593 -7.373 1.00 0.00 H new ATOM 0 HH11 ARG B 60 4.006 -22.267 -10.571 1.00 0.00 H new ATOM 0 HH12 ARG B 60 5.254 -23.470 -10.913 1.00 0.00 H new ATOM 0 HH21 ARG B 60 4.889 -25.128 -7.825 1.00 0.00 H new ATOM 0 HH22 ARG B 60 5.751 -25.081 -9.366 1.00 0.00 H new ATOM 1135 N LEU B 61 0.792 -19.326 -4.922 1.00 0.00 N ATOM 1136 CA LEU B 61 -0.145 -18.225 -4.738 1.00 0.00 C ATOM 1137 C LEU B 61 0.586 -17.003 -4.206 1.00 0.00 C ATOM 1138 O LEU B 61 0.233 -15.858 -4.508 1.00 0.00 O ATOM 1139 CB LEU B 61 -1.296 -18.638 -3.832 1.00 0.00 C ATOM 1140 CG LEU B 61 -2.494 -19.213 -4.584 1.00 0.00 C ATOM 1141 CD1 LEU B 61 -3.167 -18.139 -5.419 1.00 0.00 C ATOM 1142 CD2 LEU B 61 -2.059 -20.376 -5.466 1.00 0.00 C ATOM 0 H LEU B 61 0.617 -20.154 -4.353 1.00 0.00 H new ATOM 0 HA LEU B 61 -0.578 -17.962 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -0.937 -19.379 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -1.622 -17.772 -3.256 1.00 0.00 H new ATOM 0 HG LEU B 61 -3.214 -19.581 -3.853 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -4.018 -18.569 -5.947 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -3.512 -17.335 -4.769 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -2.455 -17.741 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -2.924 -20.775 -5.995 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -1.320 -20.028 -6.188 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -1.620 -21.158 -4.846 1.00 0.00 H new ATOM 1154 N GLU B 62 1.638 -17.262 -3.448 1.00 0.00 N ATOM 1155 CA GLU B 62 2.463 -16.201 -2.905 1.00 0.00 C ATOM 1156 C GLU B 62 3.100 -15.421 -4.048 1.00 0.00 C ATOM 1157 O GLU B 62 3.240 -14.201 -3.976 1.00 0.00 O ATOM 1158 CB GLU B 62 3.542 -16.777 -1.990 1.00 0.00 C ATOM 1159 CG GLU B 62 4.335 -15.720 -1.239 1.00 0.00 C ATOM 1160 CD GLU B 62 5.508 -16.305 -0.477 1.00 0.00 C ATOM 1161 OE1 GLU B 62 5.935 -17.429 -0.815 1.00 0.00 O ATOM 1162 OE2 GLU B 62 6.001 -15.640 0.459 1.00 0.00 O ATOM 0 H GLU B 62 1.940 -18.203 -3.195 1.00 0.00 H new ATOM 0 HA GLU B 62 1.839 -15.530 -2.314 1.00 0.00 H new ATOM 0 HB2 GLU B 62 3.074 -17.448 -1.269 1.00 0.00 H new ATOM 0 HB3 GLU B 62 4.229 -17.378 -2.586 1.00 0.00 H new ATOM 0 HG2 GLU B 62 4.700 -14.975 -1.945 1.00 0.00 H new ATOM 0 HG3 GLU B 62 3.675 -15.202 -0.542 1.00 0.00 H new ATOM 1169 N ARG B 63 3.468 -16.132 -5.118 1.00 0.00 N ATOM 1170 CA ARG B 63 4.069 -15.489 -6.278 1.00 0.00 C ATOM 1171 C ARG B 63 2.988 -14.932 -7.206 1.00 0.00 C ATOM 1172 O ARG B 63 3.273 -14.123 -8.088 1.00 0.00 O ATOM 1173 CB ARG B 63 4.954 -16.478 -7.039 1.00 0.00 C ATOM 1174 CG ARG B 63 5.744 -15.844 -8.172 1.00 0.00 C ATOM 1175 CD ARG B 63 5.695 -16.692 -9.433 1.00 0.00 C ATOM 1176 NE ARG B 63 6.640 -17.806 -9.380 1.00 0.00 N ATOM 1177 CZ ARG B 63 7.058 -18.474 -10.452 1.00 0.00 C ATOM 1178 NH1 ARG B 63 6.618 -18.146 -11.660 1.00 0.00 N ATOM 1179 NH2 ARG B 63 7.919 -19.474 -10.317 1.00 0.00 N ATOM 0 H ARG B 63 3.360 -17.143 -5.200 1.00 0.00 H new ATOM 0 HA ARG B 63 4.687 -14.662 -5.927 1.00 0.00 H new ATOM 0 HB2 ARG B 63 5.649 -16.943 -6.339 1.00 0.00 H new ATOM 0 HB3 ARG B 63 4.329 -17.274 -7.444 1.00 0.00 H new ATOM 0 HG2 ARG B 63 5.344 -14.852 -8.384 1.00 0.00 H new ATOM 0 HG3 ARG B 63 6.781 -15.710 -7.863 1.00 0.00 H new ATOM 0 HD2 ARG B 63 4.685 -17.079 -9.571 1.00 0.00 H new ATOM 0 HD3 ARG B 63 5.918 -16.068 -10.299 1.00 0.00 H new ATOM 0 HE ARG B 63 7.000 -18.088 -8.468 1.00 0.00 H new ATOM 0 HH11 ARG B 63 5.956 -17.378 -11.770 1.00 0.00 H new ATOM 0 HH12 ARG B 63 6.942 -18.662 -12.478 1.00 0.00 H new ATOM 0 HH21 ARG B 63 8.261 -19.731 -9.391 1.00 0.00 H new ATOM 0 HH22 ARG B 63 8.239 -19.986 -11.139 1.00 0.00 H new ATOM 1193 N LEU B 64 1.746 -15.375 -7.005 1.00 0.00 N ATOM 1194 CA LEU B 64 0.631 -14.922 -7.832 1.00 0.00 C ATOM 1195 C LEU B 64 0.031 -13.631 -7.292 1.00 0.00 C ATOM 1196 O LEU B 64 -0.631 -12.892 -8.019 1.00 0.00 O ATOM 1197 CB LEU B 64 -0.441 -16.020 -7.934 1.00 0.00 C ATOM 1198 CG LEU B 64 -1.886 -15.578 -7.657 1.00 0.00 C ATOM 1199 CD1 LEU B 64 -2.873 -16.554 -8.278 1.00 0.00 C ATOM 1200 CD2 LEU B 64 -2.126 -15.450 -6.158 1.00 0.00 C ATOM 0 H LEU B 64 1.489 -16.044 -6.279 1.00 0.00 H new ATOM 0 HA LEU B 64 1.014 -14.716 -8.831 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -0.399 -16.449 -8.935 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -0.185 -16.816 -7.235 1.00 0.00 H new ATOM 0 HG LEU B 64 -2.041 -14.601 -8.114 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -3.891 -16.224 -8.071 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -2.717 -16.593 -9.356 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -2.720 -17.546 -7.853 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -3.154 -15.136 -5.980 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -1.952 -16.413 -5.678 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -1.443 -14.709 -5.742 1.00 0.00 H new ATOM 1212 N GLU B 65 0.262 -13.373 -6.019 1.00 0.00 N ATOM 1213 CA GLU B 65 -0.257 -12.172 -5.380 1.00 0.00 C ATOM 1214 C GLU B 65 0.868 -11.214 -4.999 1.00 0.00 C ATOM 1215 O GLU B 65 0.630 -10.030 -4.764 1.00 0.00 O ATOM 1216 CB GLU B 65 -1.077 -12.537 -4.144 1.00 0.00 C ATOM 1217 CG GLU B 65 -2.578 -12.533 -4.386 1.00 0.00 C ATOM 1218 CD GLU B 65 -3.196 -11.164 -4.186 1.00 0.00 C ATOM 1219 OE1 GLU B 65 -2.590 -10.337 -3.473 1.00 0.00 O ATOM 1220 OE2 GLU B 65 -4.286 -10.917 -4.743 1.00 0.00 O ATOM 0 H GLU B 65 0.806 -13.978 -5.404 1.00 0.00 H new ATOM 0 HA GLU B 65 -0.902 -11.667 -6.099 1.00 0.00 H new ATOM 0 HB2 GLU B 65 -0.776 -13.526 -3.798 1.00 0.00 H new ATOM 0 HB3 GLU B 65 -0.845 -11.834 -3.344 1.00 0.00 H new ATOM 0 HG2 GLU B 65 -2.780 -12.874 -5.402 1.00 0.00 H new ATOM 0 HG3 GLU B 65 -3.053 -13.244 -3.711 1.00 0.00 H new ATOM 1227 N GLN B 66 2.095 -11.731 -4.936 1.00 0.00 N ATOM 1228 CA GLN B 66 3.252 -10.914 -4.583 1.00 0.00 C ATOM 1229 C GLN B 66 3.355 -9.690 -5.490 1.00 0.00 C ATOM 1230 O GLN B 66 4.002 -9.730 -6.536 1.00 0.00 O ATOM 1231 CB GLN B 66 4.536 -11.744 -4.678 1.00 0.00 C ATOM 1232 CG GLN B 66 5.142 -12.083 -3.325 1.00 0.00 C ATOM 1233 CD GLN B 66 5.622 -10.855 -2.578 1.00 0.00 C ATOM 1234 OE1 GLN B 66 5.036 -9.777 -2.689 1.00 0.00 O ATOM 1235 NE2 GLN B 66 6.691 -11.011 -1.807 1.00 0.00 N ATOM 0 H GLN B 66 2.311 -12.710 -5.125 1.00 0.00 H new ATOM 0 HA GLN B 66 3.123 -10.571 -3.556 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.322 -12.669 -5.213 1.00 0.00 H new ATOM 0 HB3 GLN B 66 5.270 -11.196 -5.269 1.00 0.00 H new ATOM 0 HG2 GLN B 66 4.401 -12.606 -2.720 1.00 0.00 H new ATOM 0 HG3 GLN B 66 5.978 -12.768 -3.467 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.146 -11.922 -1.744 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.058 -10.220 -1.277 1.00 0.00 H new ATOM 1244 N LEU B 67 2.707 -8.604 -5.080 1.00 0.00 N ATOM 1245 CA LEU B 67 2.722 -7.366 -5.851 1.00 0.00 C ATOM 1246 C LEU B 67 2.070 -7.555 -7.220 1.00 0.00 C ATOM 1247 O LEU B 67 2.259 -6.736 -8.119 1.00 0.00 O ATOM 1248 CB LEU B 67 4.156 -6.864 -6.021 1.00 0.00 C ATOM 1249 CG LEU B 67 5.030 -6.962 -4.770 1.00 0.00 C ATOM 1250 CD1 LEU B 67 6.502 -6.909 -5.143 1.00 0.00 C ATOM 1251 CD2 LEU B 67 4.684 -5.852 -3.792 1.00 0.00 C ATOM 0 H LEU B 67 2.165 -8.556 -4.217 1.00 0.00 H new ATOM 0 HA LEU B 67 2.145 -6.624 -5.300 1.00 0.00 H new ATOM 0 HB2 LEU B 67 4.630 -7.431 -6.822 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.124 -5.823 -6.343 1.00 0.00 H new ATOM 0 HG LEU B 67 4.835 -7.919 -4.286 1.00 0.00 H new ATOM 0 HD11 LEU B 67 7.109 -6.980 -4.240 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.739 -7.741 -5.806 1.00 0.00 H new ATOM 0 HD13 LEU B 67 6.715 -5.968 -5.650 1.00 0.00 H new ATOM 0 HD21 LEU B 67 5.315 -5.937 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU B 67 4.851 -4.885 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU B 67 3.637 -5.937 -3.500 1.00 0.00 H new ATOM 1263 N PHE B 68 1.305 -8.634 -7.379 1.00 0.00 N ATOM 1264 CA PHE B 68 0.637 -8.908 -8.646 1.00 0.00 C ATOM 1265 C PHE B 68 -0.847 -8.564 -8.567 1.00 0.00 C ATOM 1266 O PHE B 68 -1.651 -9.353 -8.068 1.00 0.00 O ATOM 1267 CB PHE B 68 0.812 -10.375 -9.034 1.00 0.00 C ATOM 1268 CG PHE B 68 1.014 -10.587 -10.507 1.00 0.00 C ATOM 1269 CD1 PHE B 68 2.231 -10.292 -11.103 1.00 0.00 C ATOM 1270 CD2 PHE B 68 -0.011 -11.081 -11.296 1.00 0.00 C ATOM 1271 CE1 PHE B 68 2.420 -10.486 -12.458 1.00 0.00 C ATOM 1272 CE2 PHE B 68 0.171 -11.277 -12.652 1.00 0.00 C ATOM 1273 CZ PHE B 68 1.388 -10.980 -13.233 1.00 0.00 C ATOM 0 H PHE B 68 1.134 -9.327 -6.651 1.00 0.00 H new ATOM 0 HA PHE B 68 1.096 -8.281 -9.410 1.00 0.00 H new ATOM 0 HB2 PHE B 68 1.667 -10.785 -8.496 1.00 0.00 H new ATOM 0 HB3 PHE B 68 -0.066 -10.935 -8.712 1.00 0.00 H new ATOM 0 HD1 PHE B 68 3.040 -9.906 -10.501 1.00 0.00 H new ATOM 0 HD2 PHE B 68 -0.964 -11.316 -10.846 1.00 0.00 H new ATOM 0 HE1 PHE B 68 3.372 -10.252 -12.910 1.00 0.00 H new ATOM 0 HE2 PHE B 68 -0.637 -11.662 -13.256 1.00 0.00 H new ATOM 0 HZ PHE B 68 1.533 -11.134 -14.292 1.00 0.00 H new ATOM 1283 N LEU B 69 -1.204 -7.384 -9.062 1.00 0.00 N ATOM 1284 CA LEU B 69 -2.592 -6.938 -9.050 1.00 0.00 C ATOM 1285 C LEU B 69 -2.738 -5.588 -9.743 1.00 0.00 C ATOM 1286 O LEU B 69 -3.256 -5.506 -10.859 1.00 0.00 O ATOM 1287 CB LEU B 69 -3.108 -6.843 -7.611 1.00 0.00 C ATOM 1288 CG LEU B 69 -4.543 -6.331 -7.470 1.00 0.00 C ATOM 1289 CD1 LEU B 69 -5.527 -7.492 -7.475 1.00 0.00 C ATOM 1290 CD2 LEU B 69 -4.693 -5.509 -6.200 1.00 0.00 C ATOM 0 H LEU B 69 -0.551 -6.719 -9.477 1.00 0.00 H new ATOM 0 HA LEU B 69 -3.186 -7.672 -9.595 1.00 0.00 H new ATOM 0 HB2 LEU B 69 -3.044 -7.830 -7.152 1.00 0.00 H new ATOM 0 HB3 LEU B 69 -2.447 -6.185 -7.047 1.00 0.00 H new ATOM 0 HG LEU B 69 -4.765 -5.689 -8.323 1.00 0.00 H new ATOM 0 HD11 LEU B 69 -6.542 -7.109 -7.374 1.00 0.00 H new ATOM 0 HD12 LEU B 69 -5.438 -8.040 -8.413 1.00 0.00 H new ATOM 0 HD13 LEU B 69 -5.306 -8.159 -6.642 1.00 0.00 H new ATOM 0 HD21 LEU B 69 -5.720 -5.153 -6.116 1.00 0.00 H new ATOM 0 HD22 LEU B 69 -4.452 -6.128 -5.336 1.00 0.00 H new ATOM 0 HD23 LEU B 69 -4.015 -4.656 -6.236 1.00 0.00 H new ATOM 1302 N LEU B 70 -2.286 -4.531 -9.077 1.00 0.00 N ATOM 1303 CA LEU B 70 -2.372 -3.187 -9.626 1.00 0.00 C ATOM 1304 C LEU B 70 -1.197 -2.327 -9.156 1.00 0.00 C ATOM 1305 O LEU B 70 -0.656 -1.528 -9.921 1.00 0.00 O ATOM 1306 CB LEU B 70 -3.718 -2.558 -9.241 1.00 0.00 C ATOM 1307 CG LEU B 70 -3.632 -1.186 -8.586 1.00 0.00 C ATOM 1308 CD1 LEU B 70 -3.522 -0.098 -9.644 1.00 0.00 C ATOM 1309 CD2 LEU B 70 -4.834 -0.943 -7.685 1.00 0.00 C ATOM 0 H LEU B 70 -1.856 -4.582 -8.154 1.00 0.00 H new ATOM 0 HA LEU B 70 -2.314 -3.243 -10.713 1.00 0.00 H new ATOM 0 HB2 LEU B 70 -4.332 -2.476 -10.138 1.00 0.00 H new ATOM 0 HB3 LEU B 70 -4.235 -3.235 -8.561 1.00 0.00 H new ATOM 0 HG LEU B 70 -2.735 -1.156 -7.968 1.00 0.00 H new ATOM 0 HD11 LEU B 70 -3.461 0.876 -9.159 1.00 0.00 H new ATOM 0 HD12 LEU B 70 -2.626 -0.262 -10.242 1.00 0.00 H new ATOM 0 HD13 LEU B 70 -4.400 -0.128 -10.289 1.00 0.00 H new ATOM 0 HD21 LEU B 70 -4.752 0.043 -7.227 1.00 0.00 H new ATOM 0 HD22 LEU B 70 -5.748 -0.994 -8.276 1.00 0.00 H new ATOM 0 HD23 LEU B 70 -4.864 -1.704 -6.905 1.00 0.00 H new ATOM 1321 N ILE B 71 -0.809 -2.492 -7.894 1.00 0.00 N ATOM 1322 CA ILE B 71 0.298 -1.729 -7.321 1.00 0.00 C ATOM 1323 C ILE B 71 1.526 -1.750 -8.229 1.00 0.00 C ATOM 1324 O ILE B 71 2.342 -0.828 -8.204 1.00 0.00 O ATOM 1325 CB ILE B 71 0.700 -2.265 -5.931 1.00 0.00 C ATOM 1326 CG1 ILE B 71 -0.538 -2.481 -5.053 1.00 0.00 C ATOM 1327 CG2 ILE B 71 1.670 -1.308 -5.255 1.00 0.00 C ATOM 1328 CD1 ILE B 71 -1.469 -1.289 -5.007 1.00 0.00 C ATOM 0 H ILE B 71 -1.246 -3.149 -7.247 1.00 0.00 H new ATOM 0 HA ILE B 71 -0.058 -0.704 -7.221 1.00 0.00 H new ATOM 0 HB ILE B 71 1.195 -3.227 -6.065 1.00 0.00 H new ATOM 0 HG12 ILE B 71 -1.088 -3.346 -5.423 1.00 0.00 H new ATOM 0 HG13 ILE B 71 -0.216 -2.718 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE B 71 1.944 -1.700 -4.276 1.00 0.00 H new ATOM 0 HG22 ILE B 71 2.565 -1.204 -5.868 1.00 0.00 H new ATOM 0 HG23 ILE B 71 1.196 -0.333 -5.136 1.00 0.00 H new ATOM 0 HD11 ILE B 71 -2.321 -1.517 -4.367 1.00 0.00 H new ATOM 0 HD12 ILE B 71 -0.936 -0.426 -4.608 1.00 0.00 H new ATOM 0 HD13 ILE B 71 -1.822 -1.064 -6.013 1.00 0.00 H new ATOM 1340 N PHE B 72 1.653 -2.806 -9.027 1.00 0.00 N ATOM 1341 CA PHE B 72 2.786 -2.940 -9.938 1.00 0.00 C ATOM 1342 C PHE B 72 2.361 -2.676 -11.382 1.00 0.00 C ATOM 1343 O PHE B 72 2.189 -3.606 -12.168 1.00 0.00 O ATOM 1344 CB PHE B 72 3.397 -4.339 -9.817 1.00 0.00 C ATOM 1345 CG PHE B 72 4.899 -4.334 -9.752 1.00 0.00 C ATOM 1346 CD1 PHE B 72 5.656 -4.333 -10.912 1.00 0.00 C ATOM 1347 CD2 PHE B 72 5.552 -4.331 -8.530 1.00 0.00 C ATOM 1348 CE1 PHE B 72 7.036 -4.330 -10.855 1.00 0.00 C ATOM 1349 CE2 PHE B 72 6.932 -4.328 -8.466 1.00 0.00 C ATOM 1350 CZ PHE B 72 7.675 -4.327 -9.631 1.00 0.00 C ATOM 0 H PHE B 72 0.988 -3.579 -9.062 1.00 0.00 H new ATOM 0 HA PHE B 72 3.535 -2.198 -9.661 1.00 0.00 H new ATOM 0 HB2 PHE B 72 3.004 -4.822 -8.922 1.00 0.00 H new ATOM 0 HB3 PHE B 72 3.080 -4.940 -10.669 1.00 0.00 H new ATOM 0 HD1 PHE B 72 5.161 -4.335 -11.872 1.00 0.00 H new ATOM 0 HD2 PHE B 72 4.975 -4.331 -7.617 1.00 0.00 H new ATOM 0 HE1 PHE B 72 7.615 -4.330 -11.767 1.00 0.00 H new ATOM 0 HE2 PHE B 72 7.429 -4.326 -7.507 1.00 0.00 H new ATOM 0 HZ PHE B 72 8.754 -4.324 -9.584 1.00 0.00 H new ATOM 1360 N PRO B 73 2.184 -1.394 -11.750 1.00 0.00 N ATOM 1361 CA PRO B 73 1.779 -1.012 -13.106 1.00 0.00 C ATOM 1362 C PRO B 73 2.873 -1.273 -14.135 1.00 0.00 C ATOM 1363 O PRO B 73 2.617 -1.832 -15.202 1.00 0.00 O ATOM 1364 CB PRO B 73 1.504 0.489 -12.988 1.00 0.00 C ATOM 1365 CG PRO B 73 2.334 0.937 -11.835 1.00 0.00 C ATOM 1366 CD PRO B 73 2.367 -0.220 -10.876 1.00 0.00 C ATOM 0 HA PRO B 73 0.922 -1.590 -13.451 1.00 0.00 H new ATOM 0 HB2 PRO B 73 1.780 1.015 -13.902 1.00 0.00 H new ATOM 0 HB3 PRO B 73 0.446 0.685 -12.814 1.00 0.00 H new ATOM 0 HG2 PRO B 73 3.340 1.205 -12.159 1.00 0.00 H new ATOM 0 HG3 PRO B 73 1.904 1.822 -11.365 1.00 0.00 H new ATOM 0 HD2 PRO B 73 3.312 -0.266 -10.334 1.00 0.00 H new ATOM 0 HD3 PRO B 73 1.575 -0.147 -10.131 1.00 0.00 H new ATOM 1374 N ARG B 74 4.096 -0.865 -13.808 1.00 0.00 N ATOM 1375 CA ARG B 74 5.229 -1.054 -14.705 1.00 0.00 C ATOM 1376 C ARG B 74 6.537 -0.667 -14.021 1.00 0.00 C ATOM 1377 O ARG B 74 7.119 0.377 -14.320 1.00 0.00 O ATOM 1378 CB ARG B 74 5.040 -0.231 -15.981 1.00 0.00 C ATOM 1379 CG ARG B 74 5.585 -0.906 -17.229 1.00 0.00 C ATOM 1380 CD ARG B 74 7.042 -0.546 -17.466 1.00 0.00 C ATOM 1381 NE ARG B 74 7.752 -1.590 -18.202 1.00 0.00 N ATOM 1382 CZ ARG B 74 7.660 -1.762 -19.519 1.00 0.00 C ATOM 1383 NH1 ARG B 74 6.889 -0.963 -20.247 1.00 0.00 N ATOM 1384 NH2 ARG B 74 8.338 -2.737 -20.109 1.00 0.00 N ATOM 0 H ARG B 74 4.326 -0.402 -12.929 1.00 0.00 H new ATOM 0 HA ARG B 74 5.279 -2.110 -14.969 1.00 0.00 H new ATOM 0 HB2 ARG B 74 3.977 -0.032 -16.121 1.00 0.00 H new ATOM 0 HB3 ARG B 74 5.531 0.734 -15.857 1.00 0.00 H new ATOM 0 HG2 ARG B 74 5.488 -1.987 -17.131 1.00 0.00 H new ATOM 0 HG3 ARG B 74 4.991 -0.609 -18.093 1.00 0.00 H new ATOM 0 HD2 ARG B 74 7.098 0.391 -18.021 1.00 0.00 H new ATOM 0 HD3 ARG B 74 7.535 -0.379 -16.508 1.00 0.00 H new ATOM 0 HE ARG B 74 8.353 -2.224 -17.676 1.00 0.00 H new ATOM 0 HH11 ARG B 74 6.364 -0.213 -19.798 1.00 0.00 H new ATOM 0 HH12 ARG B 74 6.822 -1.099 -21.256 1.00 0.00 H new ATOM 0 HH21 ARG B 74 8.930 -3.355 -19.554 1.00 0.00 H new ATOM 0 HH22 ARG B 74 8.268 -2.869 -21.118 1.00 0.00 H new ATOM 1398 N GLU B 75 6.996 -1.515 -13.106 1.00 0.00 N ATOM 1399 CA GLU B 75 8.236 -1.268 -12.377 1.00 0.00 C ATOM 1400 C GLU B 75 8.094 -0.073 -11.438 1.00 0.00 C ATOM 1401 O GLU B 75 8.113 -0.228 -10.217 1.00 0.00 O ATOM 1402 CB GLU B 75 9.392 -1.030 -13.354 1.00 0.00 C ATOM 1403 CG GLU B 75 10.758 -1.350 -12.770 1.00 0.00 C ATOM 1404 CD GLU B 75 10.943 -2.830 -12.496 1.00 0.00 C ATOM 1405 OE1 GLU B 75 10.725 -3.637 -13.423 1.00 0.00 O ATOM 1406 OE2 GLU B 75 11.306 -3.182 -11.354 1.00 0.00 O ATOM 0 H GLU B 75 6.526 -2.383 -12.851 1.00 0.00 H new ATOM 0 HA GLU B 75 8.452 -2.152 -11.777 1.00 0.00 H new ATOM 0 HB2 GLU B 75 9.235 -1.639 -14.244 1.00 0.00 H new ATOM 0 HB3 GLU B 75 9.378 0.012 -13.674 1.00 0.00 H new ATOM 0 HG2 GLU B 75 11.532 -1.012 -13.459 1.00 0.00 H new ATOM 0 HG3 GLU B 75 10.892 -0.793 -11.843 1.00 0.00 H new ATOM 1413 N ASP B 76 7.953 1.116 -12.014 1.00 0.00 N ATOM 1414 CA ASP B 76 7.810 2.334 -11.226 1.00 0.00 C ATOM 1415 C ASP B 76 6.447 2.387 -10.545 1.00 0.00 C ATOM 1416 O ASP B 76 5.426 2.046 -11.143 1.00 0.00 O ATOM 1417 CB ASP B 76 7.995 3.567 -12.115 1.00 0.00 C ATOM 1418 CG ASP B 76 9.436 3.760 -12.543 1.00 0.00 C ATOM 1419 OD1 ASP B 76 10.338 3.535 -11.709 1.00 0.00 O ATOM 1420 OD2 ASP B 76 9.662 4.134 -13.712 1.00 0.00 O ATOM 0 H ASP B 76 7.935 1.262 -13.023 1.00 0.00 H new ATOM 0 HA ASP B 76 8.581 2.329 -10.456 1.00 0.00 H new ATOM 0 HB2 ASP B 76 7.366 3.471 -13.000 1.00 0.00 H new ATOM 0 HB3 ASP B 76 7.657 4.453 -11.578 1.00 0.00 H new ATOM 1425 N LEU B 77 6.437 2.817 -9.286 1.00 0.00 N ATOM 1426 CA LEU B 77 5.201 2.916 -8.520 1.00 0.00 C ATOM 1427 C LEU B 77 4.697 4.354 -8.488 1.00 0.00 C ATOM 1428 O LEU B 77 5.449 5.278 -8.179 1.00 0.00 O ATOM 1429 CB LEU B 77 5.419 2.406 -7.093 1.00 0.00 C ATOM 1430 CG LEU B 77 6.146 1.062 -6.990 1.00 0.00 C ATOM 1431 CD1 LEU B 77 7.337 1.166 -6.050 1.00 0.00 C ATOM 1432 CD2 LEU B 77 5.191 -0.027 -6.523 1.00 0.00 C ATOM 0 H LEU B 77 7.273 3.102 -8.775 1.00 0.00 H new ATOM 0 HA LEU B 77 4.448 2.297 -9.008 1.00 0.00 H new ATOM 0 HB2 LEU B 77 5.988 3.153 -6.539 1.00 0.00 H new ATOM 0 HB3 LEU B 77 4.449 2.316 -6.603 1.00 0.00 H new ATOM 0 HG LEU B 77 6.515 0.796 -7.981 1.00 0.00 H new ATOM 0 HD11 LEU B 77 7.839 0.200 -5.991 1.00 0.00 H new ATOM 0 HD12 LEU B 77 8.033 1.915 -6.427 1.00 0.00 H new ATOM 0 HD13 LEU B 77 6.993 1.457 -5.058 1.00 0.00 H new ATOM 0 HD21 LEU B 77 5.725 -0.975 -6.456 1.00 0.00 H new ATOM 0 HD22 LEU B 77 4.792 0.235 -5.543 1.00 0.00 H new ATOM 0 HD23 LEU B 77 4.371 -0.122 -7.235 1.00 0.00 H new ATOM 1444 N ASP B 78 3.421 4.538 -8.811 1.00 0.00 N ATOM 1445 CA ASP B 78 2.820 5.867 -8.818 1.00 0.00 C ATOM 1446 C ASP B 78 1.329 5.790 -9.140 1.00 0.00 C ATOM 1447 O ASP B 78 0.522 6.518 -8.562 1.00 0.00 O ATOM 1448 CB ASP B 78 3.527 6.763 -9.837 1.00 0.00 C ATOM 1449 CG ASP B 78 4.564 7.662 -9.193 1.00 0.00 C ATOM 1450 OD1 ASP B 78 4.248 8.285 -8.157 1.00 0.00 O ATOM 1451 OD2 ASP B 78 5.690 7.744 -9.724 1.00 0.00 O ATOM 0 H ASP B 78 2.784 3.785 -9.071 1.00 0.00 H new ATOM 0 HA ASP B 78 2.937 6.296 -7.823 1.00 0.00 H new ATOM 0 HB2 ASP B 78 4.008 6.141 -10.592 1.00 0.00 H new ATOM 0 HB3 ASP B 78 2.788 7.376 -10.352 1.00 0.00 H new ATOM 1456 N MET B 79 0.971 4.903 -10.065 1.00 0.00 N ATOM 1457 CA MET B 79 -0.423 4.731 -10.462 1.00 0.00 C ATOM 1458 C MET B 79 -1.304 4.411 -9.257 1.00 0.00 C ATOM 1459 O MET B 79 -2.513 4.639 -9.283 1.00 0.00 O ATOM 1460 CB MET B 79 -0.542 3.616 -11.503 1.00 0.00 C ATOM 1461 CG MET B 79 0.304 3.848 -12.744 1.00 0.00 C ATOM 1462 SD MET B 79 -0.495 3.252 -14.248 1.00 0.00 S ATOM 1463 CE MET B 79 0.715 3.721 -15.482 1.00 0.00 C ATOM 0 H MET B 79 1.627 4.293 -10.553 1.00 0.00 H new ATOM 0 HA MET B 79 -0.766 5.669 -10.898 1.00 0.00 H new ATOM 0 HB2 MET B 79 -0.249 2.671 -11.046 1.00 0.00 H new ATOM 0 HB3 MET B 79 -1.586 3.517 -11.799 1.00 0.00 H new ATOM 0 HG2 MET B 79 0.511 4.913 -12.844 1.00 0.00 H new ATOM 0 HG3 MET B 79 1.264 3.347 -12.624 1.00 0.00 H new ATOM 0 HE1 MET B 79 0.364 3.419 -16.469 1.00 0.00 H new ATOM 0 HE2 MET B 79 0.855 4.802 -15.462 1.00 0.00 H new ATOM 0 HE3 MET B 79 1.663 3.228 -15.268 1.00 0.00 H new ATOM 1473 N ILE B 80 -0.692 3.878 -8.203 1.00 0.00 N ATOM 1474 CA ILE B 80 -1.421 3.526 -6.990 1.00 0.00 C ATOM 1475 C ILE B 80 -2.049 4.756 -6.342 1.00 0.00 C ATOM 1476 O ILE B 80 -3.238 4.765 -6.028 1.00 0.00 O ATOM 1477 CB ILE B 80 -0.505 2.833 -5.963 1.00 0.00 C ATOM 1478 CG1 ILE B 80 0.343 1.755 -6.643 1.00 0.00 C ATOM 1479 CG2 ILE B 80 -1.332 2.236 -4.834 1.00 0.00 C ATOM 1480 CD1 ILE B 80 1.759 2.197 -6.938 1.00 0.00 C ATOM 0 H ILE B 80 0.308 3.681 -8.165 1.00 0.00 H new ATOM 0 HA ILE B 80 -2.209 2.836 -7.290 1.00 0.00 H new ATOM 0 HB ILE B 80 0.168 3.578 -5.538 1.00 0.00 H new ATOM 0 HG12 ILE B 80 0.372 0.871 -6.006 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -0.139 1.460 -7.575 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -0.671 1.750 -4.116 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -1.891 3.027 -4.334 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -2.028 1.502 -5.241 1.00 0.00 H new ATOM 0 HD11 ILE B 80 2.301 1.383 -7.419 1.00 0.00 H new ATOM 0 HD12 ILE B 80 1.739 3.062 -7.601 1.00 0.00 H new ATOM 0 HD13 ILE B 80 2.258 2.465 -6.007 1.00 0.00 H new ATOM 1492 N LEU B 81 -1.239 5.791 -6.139 1.00 0.00 N ATOM 1493 CA LEU B 81 -1.714 7.025 -5.522 1.00 0.00 C ATOM 1494 C LEU B 81 -2.267 7.997 -6.564 1.00 0.00 C ATOM 1495 O LEU B 81 -2.893 8.998 -6.217 1.00 0.00 O ATOM 1496 CB LEU B 81 -0.582 7.695 -4.741 1.00 0.00 C ATOM 1497 CG LEU B 81 0.733 7.848 -5.512 1.00 0.00 C ATOM 1498 CD1 LEU B 81 1.256 9.273 -5.403 1.00 0.00 C ATOM 1499 CD2 LEU B 81 1.770 6.857 -5.006 1.00 0.00 C ATOM 0 H LEU B 81 -0.251 5.800 -6.393 1.00 0.00 H new ATOM 0 HA LEU B 81 -2.522 6.763 -4.840 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -0.916 8.682 -4.422 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -0.391 7.115 -3.838 1.00 0.00 H new ATOM 0 HG LEU B 81 0.539 7.634 -6.563 1.00 0.00 H new ATOM 0 HD11 LEU B 81 2.190 9.361 -5.957 1.00 0.00 H new ATOM 0 HD12 LEU B 81 0.521 9.963 -5.818 1.00 0.00 H new ATOM 0 HD13 LEU B 81 1.431 9.517 -4.355 1.00 0.00 H new ATOM 0 HD21 LEU B 81 2.697 6.982 -5.566 1.00 0.00 H new ATOM 0 HD22 LEU B 81 1.959 7.037 -3.948 1.00 0.00 H new ATOM 0 HD23 LEU B 81 1.399 5.841 -5.141 1.00 0.00 H new ATOM 1511 N LYS B 82 -2.035 7.700 -7.841 1.00 0.00 N ATOM 1512 CA LYS B 82 -2.513 8.558 -8.919 1.00 0.00 C ATOM 1513 C LYS B 82 -3.923 8.166 -9.355 1.00 0.00 C ATOM 1514 O LYS B 82 -4.654 8.977 -9.925 1.00 0.00 O ATOM 1515 CB LYS B 82 -1.561 8.489 -10.115 1.00 0.00 C ATOM 1516 CG LYS B 82 -0.340 9.383 -9.972 1.00 0.00 C ATOM 1517 CD LYS B 82 0.025 10.044 -11.293 1.00 0.00 C ATOM 1518 CE LYS B 82 0.585 9.036 -12.282 1.00 0.00 C ATOM 1519 NZ LYS B 82 0.594 9.568 -13.673 1.00 0.00 N ATOM 0 H LYS B 82 -1.521 6.875 -8.152 1.00 0.00 H new ATOM 0 HA LYS B 82 -2.544 9.580 -8.542 1.00 0.00 H new ATOM 0 HB2 LYS B 82 -1.233 7.458 -10.249 1.00 0.00 H new ATOM 0 HB3 LYS B 82 -2.104 8.770 -11.018 1.00 0.00 H new ATOM 0 HG2 LYS B 82 -0.535 10.150 -9.222 1.00 0.00 H new ATOM 0 HG3 LYS B 82 0.504 8.794 -9.613 1.00 0.00 H new ATOM 0 HD2 LYS B 82 -0.858 10.522 -11.719 1.00 0.00 H new ATOM 0 HD3 LYS B 82 0.759 10.830 -11.117 1.00 0.00 H new ATOM 0 HE2 LYS B 82 1.600 8.766 -11.990 1.00 0.00 H new ATOM 0 HE3 LYS B 82 -0.010 8.123 -12.246 1.00 0.00 H new ATOM 0 HZ1 LYS B 82 0.983 8.850 -14.317 1.00 0.00 H new ATOM 0 HZ2 LYS B 82 -0.377 9.802 -13.962 1.00 0.00 H new ATOM 0 HZ3 LYS B 82 1.183 10.425 -13.713 1.00 0.00 H new ATOM 1533 N MET B 83 -4.301 6.919 -9.085 1.00 0.00 N ATOM 1534 CA MET B 83 -5.623 6.427 -9.452 1.00 0.00 C ATOM 1535 C MET B 83 -6.432 6.064 -8.212 1.00 0.00 C ATOM 1536 O MET B 83 -7.616 6.387 -8.114 1.00 0.00 O ATOM 1537 CB MET B 83 -5.501 5.210 -10.371 1.00 0.00 C ATOM 1538 CG MET B 83 -5.080 5.559 -11.788 1.00 0.00 C ATOM 1539 SD MET B 83 -5.865 4.509 -13.025 1.00 0.00 S ATOM 1540 CE MET B 83 -5.011 2.958 -12.746 1.00 0.00 C ATOM 0 H MET B 83 -3.711 6.233 -8.614 1.00 0.00 H new ATOM 0 HA MET B 83 -6.145 7.223 -9.983 1.00 0.00 H new ATOM 0 HB2 MET B 83 -4.776 4.515 -9.946 1.00 0.00 H new ATOM 0 HB3 MET B 83 -6.459 4.691 -10.403 1.00 0.00 H new ATOM 0 HG2 MET B 83 -5.329 6.601 -11.991 1.00 0.00 H new ATOM 0 HG3 MET B 83 -3.997 5.468 -11.874 1.00 0.00 H new ATOM 0 HE1 MET B 83 -5.388 2.205 -13.438 1.00 0.00 H new ATOM 0 HE2 MET B 83 -3.942 3.097 -12.908 1.00 0.00 H new ATOM 0 HE3 MET B 83 -5.183 2.627 -11.722 1.00 0.00 H new ATOM 1550 N ASP B 84 -5.785 5.392 -7.265 1.00 0.00 N ATOM 1551 CA ASP B 84 -6.444 4.985 -6.030 1.00 0.00 C ATOM 1552 C ASP B 84 -5.976 5.840 -4.858 1.00 0.00 C ATOM 1553 O ASP B 84 -5.004 5.505 -4.180 1.00 0.00 O ATOM 1554 CB ASP B 84 -6.167 3.508 -5.742 1.00 0.00 C ATOM 1555 CG ASP B 84 -7.219 2.595 -6.337 1.00 0.00 C ATOM 1556 OD1 ASP B 84 -7.059 2.185 -7.507 1.00 0.00 O ATOM 1557 OD2 ASP B 84 -8.207 2.290 -5.635 1.00 0.00 O ATOM 0 H ASP B 84 -4.805 5.118 -7.330 1.00 0.00 H new ATOM 0 HA ASP B 84 -7.517 5.128 -6.155 1.00 0.00 H new ATOM 0 HB2 ASP B 84 -5.189 3.240 -6.142 1.00 0.00 H new ATOM 0 HB3 ASP B 84 -6.123 3.353 -4.664 1.00 0.00 H new ATOM 1562 N SER B 85 -6.673 6.948 -4.624 1.00 0.00 N ATOM 1563 CA SER B 85 -6.328 7.853 -3.534 1.00 0.00 C ATOM 1564 C SER B 85 -7.526 8.713 -3.143 1.00 0.00 C ATOM 1565 O SER B 85 -8.423 8.951 -3.952 1.00 0.00 O ATOM 1566 CB SER B 85 -5.154 8.747 -3.938 1.00 0.00 C ATOM 1567 OG SER B 85 -5.485 9.550 -5.059 1.00 0.00 O ATOM 0 H SER B 85 -7.480 7.240 -5.175 1.00 0.00 H new ATOM 0 HA SER B 85 -6.038 7.252 -2.673 1.00 0.00 H new ATOM 0 HB2 SER B 85 -4.874 9.385 -3.100 1.00 0.00 H new ATOM 0 HB3 SER B 85 -4.287 8.130 -4.172 1.00 0.00 H new ATOM 0 HG SER B 85 -4.733 9.560 -5.687 1.00 0.00 H new ATOM 1573 N LEU B 86 -7.534 9.177 -1.898 1.00 0.00 N ATOM 1574 CA LEU B 86 -8.621 10.012 -1.401 1.00 0.00 C ATOM 1575 C LEU B 86 -8.315 11.497 -1.595 1.00 0.00 C ATOM 1576 O LEU B 86 -8.987 12.357 -1.026 1.00 0.00 O ATOM 1577 CB LEU B 86 -8.879 9.720 0.079 1.00 0.00 C ATOM 1578 CG LEU B 86 -9.954 8.668 0.352 1.00 0.00 C ATOM 1579 CD1 LEU B 86 -9.975 8.295 1.827 1.00 0.00 C ATOM 1580 CD2 LEU B 86 -11.319 9.173 -0.092 1.00 0.00 C ATOM 0 H LEU B 86 -6.800 8.989 -1.215 1.00 0.00 H new ATOM 0 HA LEU B 86 -9.516 9.773 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU B 86 -7.946 9.392 0.537 1.00 0.00 H new ATOM 0 HB3 LEU B 86 -9.167 10.648 0.572 1.00 0.00 H new ATOM 0 HG LEU B 86 -9.714 7.774 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU B 86 -10.747 7.545 2.002 1.00 0.00 H new ATOM 0 HD12 LEU B 86 -9.004 7.891 2.114 1.00 0.00 H new ATOM 0 HD13 LEU B 86 -10.189 9.182 2.424 1.00 0.00 H new ATOM 0 HD21 LEU B 86 -12.072 8.411 0.110 1.00 0.00 H new ATOM 0 HD22 LEU B 86 -11.566 10.082 0.456 1.00 0.00 H new ATOM 0 HD23 LEU B 86 -11.298 9.388 -1.160 1.00 0.00 H new ATOM 1592 N ARG B 87 -7.301 11.794 -2.405 1.00 0.00 N ATOM 1593 CA ARG B 87 -6.918 13.175 -2.673 1.00 0.00 C ATOM 1594 C ARG B 87 -6.524 13.900 -1.388 1.00 0.00 C ATOM 1595 O ARG B 87 -6.657 15.117 -1.290 1.00 0.00 O ATOM 1596 CB ARG B 87 -8.066 13.918 -3.356 1.00 0.00 C ATOM 1597 CG ARG B 87 -8.613 13.193 -4.578 1.00 0.00 C ATOM 1598 CD ARG B 87 -8.535 14.058 -5.828 1.00 0.00 C ATOM 1599 NE ARG B 87 -9.855 14.499 -6.272 1.00 0.00 N ATOM 1600 CZ ARG B 87 -10.055 15.522 -7.100 1.00 0.00 C ATOM 1601 NH1 ARG B 87 -9.027 16.214 -7.574 1.00 0.00 N ATOM 1602 NH2 ARG B 87 -11.289 15.854 -7.454 1.00 0.00 N ATOM 0 H ARG B 87 -6.732 11.097 -2.885 1.00 0.00 H new ATOM 0 HA ARG B 87 -6.053 13.159 -3.335 1.00 0.00 H new ATOM 0 HB2 ARG B 87 -8.873 14.064 -2.638 1.00 0.00 H new ATOM 0 HB3 ARG B 87 -7.722 14.908 -3.654 1.00 0.00 H new ATOM 0 HG2 ARG B 87 -8.051 12.273 -4.737 1.00 0.00 H new ATOM 0 HG3 ARG B 87 -9.649 12.907 -4.398 1.00 0.00 H new ATOM 0 HD2 ARG B 87 -7.910 14.929 -5.628 1.00 0.00 H new ATOM 0 HD3 ARG B 87 -8.052 13.496 -6.628 1.00 0.00 H new ATOM 0 HE ARG B 87 -10.671 13.994 -5.927 1.00 0.00 H new ATOM 0 HH11 ARG B 87 -8.076 15.963 -7.304 1.00 0.00 H new ATOM 0 HH12 ARG B 87 -9.188 16.997 -8.208 1.00 0.00 H new ATOM 0 HH21 ARG B 87 -12.083 15.326 -7.092 1.00 0.00 H new ATOM 0 HH22 ARG B 87 -11.444 16.638 -8.088 1.00 0.00 H new ATOM 1616 N ASP B 88 -6.033 13.147 -0.409 1.00 0.00 N ATOM 1617 CA ASP B 88 -5.616 13.730 0.863 1.00 0.00 C ATOM 1618 C ASP B 88 -4.303 14.499 0.712 1.00 0.00 C ATOM 1619 O ASP B 88 -3.934 15.294 1.580 1.00 0.00 O ATOM 1620 CB ASP B 88 -5.463 12.635 1.921 1.00 0.00 C ATOM 1621 CG ASP B 88 -6.037 13.045 3.264 1.00 0.00 C ATOM 1622 OD1 ASP B 88 -7.275 12.981 3.424 1.00 0.00 O ATOM 1623 OD2 ASP B 88 -5.251 13.430 4.153 1.00 0.00 O ATOM 0 H ASP B 88 -5.914 12.136 -0.471 1.00 0.00 H new ATOM 0 HA ASP B 88 -6.387 14.431 1.182 1.00 0.00 H new ATOM 0 HB2 ASP B 88 -5.962 11.729 1.577 1.00 0.00 H new ATOM 0 HB3 ASP B 88 -4.407 12.392 2.039 1.00 0.00 H new ATOM 1628 N ILE B 89 -3.615 14.275 -0.406 1.00 0.00 N ATOM 1629 CA ILE B 89 -2.356 14.953 -0.685 1.00 0.00 C ATOM 1630 C ILE B 89 -2.630 16.201 -1.495 1.00 0.00 C ATOM 1631 O ILE B 89 -2.200 17.298 -1.138 1.00 0.00 O ATOM 1632 CB ILE B 89 -1.374 14.049 -1.457 1.00 0.00 C ATOM 1633 CG1 ILE B 89 -1.345 12.648 -0.848 1.00 0.00 C ATOM 1634 CG2 ILE B 89 0.019 14.664 -1.463 1.00 0.00 C ATOM 1635 CD1 ILE B 89 -0.692 12.601 0.513 1.00 0.00 C ATOM 0 H ILE B 89 -3.912 13.626 -1.135 1.00 0.00 H new ATOM 0 HA ILE B 89 -1.895 15.209 0.269 1.00 0.00 H new ATOM 0 HB ILE B 89 -1.716 13.965 -2.488 1.00 0.00 H new ATOM 0 HG12 ILE B 89 -2.365 12.274 -0.767 1.00 0.00 H new ATOM 0 HG13 ILE B 89 -0.812 11.977 -1.522 1.00 0.00 H new ATOM 0 HG21 ILE B 89 0.701 14.014 -2.012 1.00 0.00 H new ATOM 0 HG22 ILE B 89 -0.017 15.642 -1.944 1.00 0.00 H new ATOM 0 HG23 ILE B 89 0.371 14.777 -0.438 1.00 0.00 H new ATOM 0 HD11 ILE B 89 -0.705 11.577 0.888 1.00 0.00 H new ATOM 0 HD12 ILE B 89 0.339 12.945 0.434 1.00 0.00 H new ATOM 0 HD13 ILE B 89 -1.238 13.246 1.201 1.00 0.00 H new ATOM 1647 N GLU B 90 -3.393 16.030 -2.568 1.00 0.00 N ATOM 1648 CA GLU B 90 -3.777 17.148 -3.407 1.00 0.00 C ATOM 1649 C GLU B 90 -4.631 18.106 -2.584 1.00 0.00 C ATOM 1650 O GLU B 90 -4.745 19.289 -2.899 1.00 0.00 O ATOM 1651 CB GLU B 90 -4.553 16.658 -4.633 1.00 0.00 C ATOM 1652 CG GLU B 90 -5.103 17.780 -5.498 1.00 0.00 C ATOM 1653 CD GLU B 90 -4.985 17.484 -6.980 1.00 0.00 C ATOM 1654 OE1 GLU B 90 -5.878 16.799 -7.522 1.00 0.00 O ATOM 1655 OE2 GLU B 90 -4.000 17.936 -7.598 1.00 0.00 O ATOM 0 H GLU B 90 -3.755 15.127 -2.874 1.00 0.00 H new ATOM 0 HA GLU B 90 -2.884 17.663 -3.761 1.00 0.00 H new ATOM 0 HB2 GLU B 90 -3.899 16.032 -5.239 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -5.379 16.029 -4.301 1.00 0.00 H new ATOM 0 HG2 GLU B 90 -6.150 17.947 -5.247 1.00 0.00 H new ATOM 0 HG3 GLU B 90 -4.569 18.703 -5.272 1.00 0.00 H new ATOM 1662 N ALA B 91 -5.221 17.572 -1.511 1.00 0.00 N ATOM 1663 CA ALA B 91 -6.055 18.354 -0.615 1.00 0.00 C ATOM 1664 C ALA B 91 -5.195 19.013 0.454 1.00 0.00 C ATOM 1665 O ALA B 91 -5.251 20.228 0.650 1.00 0.00 O ATOM 1666 CB ALA B 91 -7.116 17.474 0.025 1.00 0.00 C ATOM 0 H ALA B 91 -5.131 16.591 -1.246 1.00 0.00 H new ATOM 0 HA ALA B 91 -6.556 19.132 -1.191 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -7.732 18.075 0.693 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.743 17.037 -0.752 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -6.634 16.678 0.593 1.00 0.00 H new ATOM 1672 N LEU B 92 -4.372 18.207 1.126 1.00 0.00 N ATOM 1673 CA LEU B 92 -3.479 18.734 2.153 1.00 0.00 C ATOM 1674 C LEU B 92 -2.671 19.893 1.582 1.00 0.00 C ATOM 1675 O LEU B 92 -2.261 20.803 2.303 1.00 0.00 O ATOM 1676 CB LEU B 92 -2.539 17.640 2.669 1.00 0.00 C ATOM 1677 CG LEU B 92 -2.930 17.035 4.020 1.00 0.00 C ATOM 1678 CD1 LEU B 92 -2.757 18.058 5.132 1.00 0.00 C ATOM 1679 CD2 LEU B 92 -4.363 16.520 3.983 1.00 0.00 C ATOM 0 H LEU B 92 -4.307 17.200 0.979 1.00 0.00 H new ATOM 0 HA LEU B 92 -4.080 19.089 2.990 1.00 0.00 H new ATOM 0 HB2 LEU B 92 -2.495 16.841 1.929 1.00 0.00 H new ATOM 0 HB3 LEU B 92 -1.534 18.054 2.751 1.00 0.00 H new ATOM 0 HG LEU B 92 -2.270 16.192 4.223 1.00 0.00 H new ATOM 0 HD11 LEU B 92 -3.040 17.611 6.085 1.00 0.00 H new ATOM 0 HD12 LEU B 92 -1.715 18.376 5.175 1.00 0.00 H new ATOM 0 HD13 LEU B 92 -3.392 18.921 4.934 1.00 0.00 H new ATOM 0 HD21 LEU B 92 -4.622 16.094 4.952 1.00 0.00 H new ATOM 0 HD22 LEU B 92 -5.040 17.344 3.756 1.00 0.00 H new ATOM 0 HD23 LEU B 92 -4.454 15.753 3.214 1.00 0.00 H new ATOM 1691 N LEU B 93 -2.466 19.857 0.268 1.00 0.00 N ATOM 1692 CA LEU B 93 -1.733 20.902 -0.423 1.00 0.00 C ATOM 1693 C LEU B 93 -2.692 21.982 -0.905 1.00 0.00 C ATOM 1694 O LEU B 93 -2.372 23.168 -0.876 1.00 0.00 O ATOM 1695 CB LEU B 93 -0.958 20.317 -1.607 1.00 0.00 C ATOM 1696 CG LEU B 93 0.463 20.858 -1.784 1.00 0.00 C ATOM 1697 CD1 LEU B 93 0.428 22.307 -2.243 1.00 0.00 C ATOM 1698 CD2 LEU B 93 1.250 20.725 -0.489 1.00 0.00 C ATOM 0 H LEU B 93 -2.801 19.109 -0.338 1.00 0.00 H new ATOM 0 HA LEU B 93 -1.021 21.347 0.272 1.00 0.00 H new ATOM 0 HB2 LEU B 93 -0.906 19.235 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU B 93 -1.520 20.511 -2.521 1.00 0.00 H new ATOM 0 HG LEU B 93 0.964 20.267 -2.551 1.00 0.00 H new ATOM 0 HD11 LEU B 93 1.447 22.675 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU B 93 -0.097 22.374 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU B 93 -0.091 22.912 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU B 93 2.258 21.115 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU B 93 0.752 21.290 0.299 1.00 0.00 H new ATOM 0 HD23 LEU B 93 1.305 19.675 -0.203 1.00 0.00 H new ATOM 1710 N THR B 94 -3.881 21.569 -1.337 1.00 0.00 N ATOM 1711 CA THR B 94 -4.880 22.522 -1.810 1.00 0.00 C ATOM 1712 C THR B 94 -5.330 23.449 -0.678 1.00 0.00 C ATOM 1713 O THR B 94 -5.976 24.467 -0.923 1.00 0.00 O ATOM 1714 CB THR B 94 -6.085 21.786 -2.408 1.00 0.00 C ATOM 1715 OG1 THR B 94 -5.782 21.305 -3.705 1.00 0.00 O ATOM 1716 CG2 THR B 94 -7.330 22.645 -2.527 1.00 0.00 C ATOM 0 H THR B 94 -4.174 20.592 -1.369 1.00 0.00 H new ATOM 0 HA THR B 94 -4.423 23.132 -2.589 1.00 0.00 H new ATOM 0 HB THR B 94 -6.291 20.973 -1.712 1.00 0.00 H new ATOM 0 HG1 THR B 94 -5.115 20.589 -3.641 1.00 0.00 H new ATOM 0 HG21 THR B 94 -8.139 22.055 -2.958 1.00 0.00 H new ATOM 0 HG22 THR B 94 -7.625 22.998 -1.539 1.00 0.00 H new ATOM 0 HG23 THR B 94 -7.122 23.500 -3.170 1.00 0.00 H new ATOM 1724 N GLY B 95 -4.994 23.090 0.561 1.00 0.00 N ATOM 1725 CA GLY B 95 -5.385 23.906 1.696 1.00 0.00 C ATOM 1726 C GLY B 95 -4.206 24.367 2.536 1.00 0.00 C ATOM 1727 O GLY B 95 -4.267 25.422 3.167 1.00 0.00 O ATOM 0 H GLY B 95 -4.461 22.253 0.796 1.00 0.00 H new ATOM 0 HA2 GLY B 95 -5.930 24.779 1.337 1.00 0.00 H new ATOM 0 HA3 GLY B 95 -6.071 23.338 2.325 1.00 0.00 H new ATOM 1731 N LEU B 96 -3.133 23.577 2.556 1.00 0.00 N ATOM 1732 CA LEU B 96 -1.952 23.928 3.339 1.00 0.00 C ATOM 1733 C LEU B 96 -0.843 24.516 2.472 1.00 0.00 C ATOM 1734 O LEU B 96 0.250 24.803 2.957 1.00 0.00 O ATOM 1735 CB LEU B 96 -1.433 22.701 4.086 1.00 0.00 C ATOM 1736 CG LEU B 96 -0.924 22.967 5.505 1.00 0.00 C ATOM 1737 CD1 LEU B 96 0.364 23.773 5.470 1.00 0.00 C ATOM 1738 CD2 LEU B 96 -1.984 23.688 6.325 1.00 0.00 C ATOM 0 H LEU B 96 -3.058 22.698 2.044 1.00 0.00 H new ATOM 0 HA LEU B 96 -2.252 24.693 4.055 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.232 21.962 4.137 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -0.625 22.257 3.505 1.00 0.00 H new ATOM 0 HG LEU B 96 -0.714 22.008 5.980 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.709 23.951 6.488 1.00 0.00 H new ATOM 0 HD12 LEU B 96 1.125 23.219 4.921 1.00 0.00 H new ATOM 0 HD13 LEU B 96 0.183 24.728 4.976 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -1.605 23.869 7.331 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -2.225 24.640 5.851 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -2.882 23.072 6.381 1.00 0.00 H new ATOM 1750 N PHE B 97 -1.132 24.690 1.191 1.00 0.00 N ATOM 1751 CA PHE B 97 -0.163 25.243 0.240 1.00 0.00 C ATOM 1752 C PHE B 97 0.611 26.417 0.840 1.00 0.00 C ATOM 1753 O PHE B 97 0.023 27.319 1.435 1.00 0.00 O ATOM 1754 CB PHE B 97 -0.870 25.697 -1.040 1.00 0.00 C ATOM 1755 CG PHE B 97 -2.038 26.610 -0.789 1.00 0.00 C ATOM 1756 CD1 PHE B 97 -1.836 27.946 -0.490 1.00 0.00 C ATOM 1757 CD2 PHE B 97 -3.336 26.130 -0.854 1.00 0.00 C ATOM 1758 CE1 PHE B 97 -2.905 28.790 -0.258 1.00 0.00 C ATOM 1759 CE2 PHE B 97 -4.411 26.970 -0.622 1.00 0.00 C ATOM 1760 CZ PHE B 97 -4.195 28.300 -0.325 1.00 0.00 C ATOM 0 H PHE B 97 -2.035 24.456 0.778 1.00 0.00 H new ATOM 0 HA PHE B 97 0.548 24.451 0.004 1.00 0.00 H new ATOM 0 HB2 PHE B 97 -0.151 26.208 -1.681 1.00 0.00 H new ATOM 0 HB3 PHE B 97 -1.216 24.819 -1.585 1.00 0.00 H new ATOM 0 HD1 PHE B 97 -0.829 28.334 -0.437 1.00 0.00 H new ATOM 0 HD2 PHE B 97 -3.511 25.090 -1.088 1.00 0.00 H new ATOM 0 HE1 PHE B 97 -2.733 29.830 -0.025 1.00 0.00 H new ATOM 0 HE2 PHE B 97 -5.419 26.585 -0.673 1.00 0.00 H new ATOM 0 HZ PHE B 97 -5.033 28.957 -0.145 1.00 0.00 H new ATOM 1770 N VAL B 98 1.931 26.393 0.666 1.00 0.00 N ATOM 1771 CA VAL B 98 2.811 27.444 1.172 1.00 0.00 C ATOM 1772 C VAL B 98 2.577 27.723 2.660 1.00 0.00 C ATOM 1773 O VAL B 98 1.603 27.255 3.246 1.00 0.00 O ATOM 1774 CB VAL B 98 2.658 28.749 0.351 1.00 0.00 C ATOM 1775 CG1 VAL B 98 1.433 29.556 0.774 1.00 0.00 C ATOM 1776 CG2 VAL B 98 3.920 29.592 0.450 1.00 0.00 C ATOM 0 H VAL B 98 2.419 25.646 0.172 1.00 0.00 H new ATOM 0 HA VAL B 98 3.832 27.079 1.058 1.00 0.00 H new ATOM 0 HB VAL B 98 2.507 28.462 -0.690 1.00 0.00 H new ATOM 0 HG11 VAL B 98 1.368 30.461 0.171 1.00 0.00 H new ATOM 0 HG12 VAL B 98 0.534 28.957 0.628 1.00 0.00 H new ATOM 0 HG13 VAL B 98 1.521 29.827 1.826 1.00 0.00 H new ATOM 0 HG21 VAL B 98 3.795 30.505 -0.133 1.00 0.00 H new ATOM 0 HG22 VAL B 98 4.104 29.850 1.493 1.00 0.00 H new ATOM 0 HG23 VAL B 98 4.767 29.027 0.061 1.00 0.00 H new