USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 554 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 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 98:sc= -0.116 USER MOD Single : A 40 TYR OH : rot 38:sc= -0.41 USER MOD Single : A 42 SER OG : rot 180:sc= -0.646 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 98:sc= 0.0367 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -30:sc= 0.225! USER MOD Single : A 70 THR OG1 : rot -77:sc= 0.318 USER MOD Single : A 79 ASN : amide:sc= -3.76 K(o=-3.8,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -4.420 9.981 -0.379 1.00 0.00 N ATOM 45 CA LEU A 4 -3.451 9.030 -0.917 1.00 0.00 C ATOM 46 C LEU A 4 -4.201 7.857 -1.559 1.00 0.00 C ATOM 47 O LEU A 4 -5.394 7.963 -1.839 1.00 0.00 O ATOM 48 CB LEU A 4 -2.522 8.510 0.200 1.00 0.00 C ATOM 49 CG LEU A 4 -1.692 9.654 0.824 1.00 0.00 C ATOM 50 CD1 LEU A 4 -1.004 10.484 -0.267 1.00 0.00 C ATOM 51 CD2 LEU A 4 -2.595 10.561 1.665 1.00 0.00 C ATOM 0 HA LEU A 4 -2.838 9.532 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.118 8.027 0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.852 7.752 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.927 9.211 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.425 11.284 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.339 9.843 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.758 10.915 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.000 11.364 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.373 10.988 1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.056 9.978 2.462 1.00 0.00 H new ATOM 63 N LEU A 5 -3.508 6.740 -1.791 1.00 0.00 N ATOM 64 CA LEU A 5 -4.159 5.582 -2.399 1.00 0.00 C ATOM 65 C LEU A 5 -4.768 4.692 -1.328 1.00 0.00 C ATOM 66 O LEU A 5 -4.441 4.797 -0.146 1.00 0.00 O ATOM 67 CB LEU A 5 -3.170 4.738 -3.212 1.00 0.00 C ATOM 68 CG LEU A 5 -2.595 5.526 -4.399 1.00 0.00 C ATOM 69 CD1 LEU A 5 -1.857 4.548 -5.309 1.00 0.00 C ATOM 70 CD2 LEU A 5 -3.711 6.203 -5.208 1.00 0.00 C ATOM 0 H LEU A 5 -2.520 6.615 -1.573 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.933 5.967 -3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.357 4.407 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.671 3.842 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.926 6.298 -4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.440 5.087 -6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.051 4.070 -4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.552 3.788 -5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.274 6.753 -6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.393 5.445 -5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.259 6.892 -4.566 1.00 0.00 H new ATOM 82 N THR A 6 -5.659 3.810 -1.759 1.00 0.00 N ATOM 83 CA THR A 6 -6.313 2.893 -0.834 1.00 0.00 C ATOM 84 C THR A 6 -6.272 1.468 -1.371 1.00 0.00 C ATOM 85 O THR A 6 -5.836 1.216 -2.497 1.00 0.00 O ATOM 86 CB THR A 6 -7.772 3.303 -0.616 1.00 0.00 C ATOM 87 OG1 THR A 6 -8.301 3.825 -1.827 1.00 0.00 O ATOM 88 CG2 THR A 6 -7.847 4.369 0.478 1.00 0.00 C ATOM 0 H THR A 6 -5.944 3.709 -2.733 1.00 0.00 H new ATOM 0 HA THR A 6 -5.777 2.936 0.114 1.00 0.00 H new ATOM 0 HB THR A 6 -8.353 2.433 -0.311 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.235 4.086 -1.690 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.886 4.660 0.632 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.441 3.967 1.406 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.267 5.241 0.176 1.00 0.00 H new ATOM 96 N THR A 7 -6.751 0.535 -0.552 1.00 0.00 N ATOM 97 CA THR A 7 -6.790 -0.873 -0.944 1.00 0.00 C ATOM 98 C THR A 7 -7.577 -1.027 -2.244 1.00 0.00 C ATOM 99 O THR A 7 -7.245 -1.847 -3.097 1.00 0.00 O ATOM 100 CB THR A 7 -7.454 -1.710 0.153 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.753 -1.527 1.376 1.00 0.00 O ATOM 102 CG2 THR A 7 -7.423 -3.187 -0.237 1.00 0.00 C ATOM 0 H THR A 7 -7.116 0.726 0.381 1.00 0.00 H new ATOM 0 HA THR A 7 -5.768 -1.223 -1.092 1.00 0.00 H new ATOM 0 HB THR A 7 -8.489 -1.392 0.275 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.178 -2.061 2.080 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.896 -3.780 0.546 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.962 -3.327 -1.174 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.389 -3.509 -0.361 1.00 0.00 H new ATOM 110 N ASP A 8 -8.620 -0.210 -2.380 1.00 0.00 N ATOM 111 CA ASP A 8 -9.461 -0.236 -3.579 1.00 0.00 C ATOM 112 C ASP A 8 -8.606 -0.057 -4.834 1.00 0.00 C ATOM 113 O ASP A 8 -8.796 -0.750 -5.832 1.00 0.00 O ATOM 114 CB ASP A 8 -10.505 0.882 -3.525 1.00 0.00 C ATOM 115 CG ASP A 8 -11.424 0.662 -2.328 1.00 0.00 C ATOM 116 OD1 ASP A 8 -11.866 -0.460 -2.143 1.00 0.00 O ATOM 117 OD2 ASP A 8 -11.673 1.620 -1.614 1.00 0.00 O ATOM 0 H ASP A 8 -8.903 0.475 -1.680 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.965 -1.202 -3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.012 1.851 -3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.087 0.895 -4.446 1.00 0.00 H new ATOM 122 N ASP A 9 -7.651 0.868 -4.760 1.00 0.00 N ATOM 123 CA ASP A 9 -6.757 1.112 -5.890 1.00 0.00 C ATOM 124 C ASP A 9 -5.895 -0.124 -6.129 1.00 0.00 C ATOM 125 O ASP A 9 -5.573 -0.469 -7.266 1.00 0.00 O ATOM 126 CB ASP A 9 -5.842 2.312 -5.616 1.00 0.00 C ATOM 127 CG ASP A 9 -5.603 3.081 -6.913 1.00 0.00 C ATOM 128 OD1 ASP A 9 -4.865 2.581 -7.746 1.00 0.00 O ATOM 129 OD2 ASP A 9 -6.161 4.156 -7.053 1.00 0.00 O ATOM 0 H ASP A 9 -7.477 1.453 -3.943 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.365 1.327 -6.769 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.297 2.966 -4.872 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.892 1.971 -5.203 1.00 0.00 H new ATOM 134 N LEU A 10 -5.529 -0.785 -5.031 1.00 0.00 N ATOM 135 CA LEU A 10 -4.701 -1.992 -5.101 1.00 0.00 C ATOM 136 C LEU A 10 -5.323 -3.039 -6.032 1.00 0.00 C ATOM 137 O LEU A 10 -4.689 -3.505 -6.980 1.00 0.00 O ATOM 138 CB LEU A 10 -4.554 -2.601 -3.704 1.00 0.00 C ATOM 139 CG LEU A 10 -3.238 -3.373 -3.610 1.00 0.00 C ATOM 140 CD1 LEU A 10 -2.959 -3.721 -2.147 1.00 0.00 C ATOM 141 CD2 LEU A 10 -3.345 -4.664 -4.423 1.00 0.00 C ATOM 0 H LEU A 10 -5.791 -0.508 -4.085 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.726 -1.705 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.579 -1.814 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.392 -3.267 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.428 -2.759 -4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.021 -4.272 -2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.886 -2.804 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.771 -4.336 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.407 -5.215 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.155 -5.277 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.550 -4.421 -5.466 1.00 0.00 H new ATOM 153 N ARG A 11 -6.568 -3.407 -5.739 1.00 0.00 N ATOM 154 CA ARG A 11 -7.275 -4.407 -6.538 1.00 0.00 C ATOM 155 C ARG A 11 -7.420 -3.956 -7.989 1.00 0.00 C ATOM 156 O ARG A 11 -7.078 -4.688 -8.915 1.00 0.00 O ATOM 157 CB ARG A 11 -8.669 -4.662 -5.952 1.00 0.00 C ATOM 158 CG ARG A 11 -9.012 -6.153 -6.051 1.00 0.00 C ATOM 159 CD ARG A 11 -9.937 -6.396 -7.246 1.00 0.00 C ATOM 160 NE ARG A 11 -11.326 -6.501 -6.807 1.00 0.00 N ATOM 161 CZ ARG A 11 -12.291 -5.817 -7.417 1.00 0.00 C ATOM 162 NH1 ARG A 11 -12.369 -5.820 -8.720 1.00 0.00 N ATOM 163 NH2 ARG A 11 -13.159 -5.143 -6.713 1.00 0.00 N ATOM 0 H ARG A 11 -7.106 -3.031 -4.959 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.687 -5.325 -6.513 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.699 -4.341 -4.911 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.412 -4.073 -6.489 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.099 -6.739 -6.161 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.495 -6.486 -5.132 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.837 -5.580 -7.962 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.642 -7.310 -7.761 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.560 -7.108 -6.021 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.690 -6.346 -9.270 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.108 -5.296 -9.188 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.098 -5.140 -5.695 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.898 -4.619 -7.181 1.00 0.00 H new ATOM 177 N ARG A 12 -7.942 -2.746 -8.177 1.00 0.00 N ATOM 178 CA ARG A 12 -8.147 -2.200 -9.522 1.00 0.00 C ATOM 179 C ARG A 12 -6.854 -2.232 -10.346 1.00 0.00 C ATOM 180 O ARG A 12 -6.892 -2.255 -11.576 1.00 0.00 O ATOM 181 CB ARG A 12 -8.651 -0.751 -9.436 1.00 0.00 C ATOM 182 CG ARG A 12 -10.165 -0.714 -9.666 1.00 0.00 C ATOM 183 CD ARG A 12 -10.450 -0.473 -11.148 1.00 0.00 C ATOM 184 NE ARG A 12 -11.882 -0.293 -11.377 1.00 0.00 N ATOM 185 CZ ARG A 12 -12.330 0.294 -12.484 1.00 0.00 C ATOM 186 NH1 ARG A 12 -12.062 1.552 -12.710 1.00 0.00 N ATOM 187 NH2 ARG A 12 -13.037 -0.387 -13.344 1.00 0.00 N ATOM 0 H ARG A 12 -8.230 -2.125 -7.421 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.891 -2.824 -10.017 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.412 -0.330 -8.459 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.146 -0.136 -10.180 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.615 -1.654 -9.346 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.616 0.076 -9.065 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.909 0.410 -11.488 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.086 -1.316 -11.735 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.548 -0.622 -10.678 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.509 2.084 -12.038 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.405 2.002 -13.558 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.246 -1.370 -13.168 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.380 0.063 -14.192 1.00 0.00 H new ATOM 201 N ALA A 13 -5.714 -2.227 -9.660 1.00 0.00 N ATOM 202 CA ALA A 13 -4.426 -2.249 -10.350 1.00 0.00 C ATOM 203 C ALA A 13 -4.072 -3.667 -10.790 1.00 0.00 C ATOM 204 O ALA A 13 -3.498 -3.875 -11.860 1.00 0.00 O ATOM 205 CB ALA A 13 -3.321 -1.722 -9.434 1.00 0.00 C ATOM 0 H ALA A 13 -5.654 -2.208 -8.642 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.508 -1.610 -11.229 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.368 -1.745 -9.963 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.549 -0.697 -9.141 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.257 -2.348 -8.544 1.00 0.00 H new ATOM 211 N LEU A 14 -4.410 -4.639 -9.950 1.00 0.00 N ATOM 212 CA LEU A 14 -4.114 -6.040 -10.256 1.00 0.00 C ATOM 213 C LEU A 14 -5.086 -6.612 -11.292 1.00 0.00 C ATOM 214 O LEU A 14 -4.816 -7.648 -11.900 1.00 0.00 O ATOM 215 CB LEU A 14 -4.195 -6.889 -8.987 1.00 0.00 C ATOM 216 CG LEU A 14 -2.839 -6.880 -8.279 1.00 0.00 C ATOM 217 CD1 LEU A 14 -3.050 -6.948 -6.764 1.00 0.00 C ATOM 218 CD2 LEU A 14 -2.019 -8.090 -8.735 1.00 0.00 C ATOM 0 H LEU A 14 -4.885 -4.489 -9.060 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.105 -6.072 -10.667 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.966 -6.497 -8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.479 -7.911 -9.238 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.306 -5.963 -8.529 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.083 -6.942 -6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.634 -6.087 -6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.584 -7.864 -6.512 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.052 -8.085 -8.231 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.553 -9.007 -8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.867 -8.041 -9.813 1.00 0.00 H new ATOM 230 N VAL A 15 -6.221 -5.941 -11.488 1.00 0.00 N ATOM 231 CA VAL A 15 -7.213 -6.416 -12.449 1.00 0.00 C ATOM 232 C VAL A 15 -6.808 -6.029 -13.870 1.00 0.00 C ATOM 233 O VAL A 15 -6.746 -6.873 -14.764 1.00 0.00 O ATOM 234 CB VAL A 15 -8.593 -5.823 -12.137 1.00 0.00 C ATOM 235 CG1 VAL A 15 -9.644 -6.439 -13.066 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.965 -6.128 -10.681 1.00 0.00 C ATOM 0 H VAL A 15 -6.473 -5.080 -11.002 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.263 -7.502 -12.371 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.561 -4.744 -12.290 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.622 -6.015 -12.841 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.385 -6.223 -14.102 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.674 -7.518 -12.917 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.946 -5.706 -10.460 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.992 -7.207 -10.531 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.222 -5.687 -10.016 1.00 0.00 H new ATOM 246 N GLU A 16 -6.539 -4.743 -14.068 1.00 0.00 N ATOM 247 CA GLU A 16 -6.144 -4.256 -15.387 1.00 0.00 C ATOM 248 C GLU A 16 -4.772 -4.800 -15.767 1.00 0.00 C ATOM 249 O GLU A 16 -4.503 -5.086 -16.933 1.00 0.00 O ATOM 250 CB GLU A 16 -6.096 -2.726 -15.401 1.00 0.00 C ATOM 251 CG GLU A 16 -7.501 -2.172 -15.642 1.00 0.00 C ATOM 252 CD GLU A 16 -7.459 -0.648 -15.612 1.00 0.00 C ATOM 253 OE1 GLU A 16 -6.914 -0.071 -16.538 1.00 0.00 O ATOM 254 OE2 GLU A 16 -7.971 -0.079 -14.661 1.00 0.00 O ATOM 0 H GLU A 16 -6.586 -4.027 -13.344 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.884 -4.602 -16.109 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.705 -2.355 -14.453 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.419 -2.380 -16.182 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.879 -2.517 -16.604 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.185 -2.543 -14.879 1.00 0.00 H new ATOM 261 N CYS A 17 -3.908 -4.942 -14.768 1.00 0.00 N ATOM 262 CA CYS A 17 -2.563 -5.456 -15.008 1.00 0.00 C ATOM 263 C CYS A 17 -2.514 -6.983 -14.880 1.00 0.00 C ATOM 264 O CYS A 17 -1.436 -7.574 -14.885 1.00 0.00 O ATOM 265 CB CYS A 17 -1.577 -4.848 -14.009 1.00 0.00 C ATOM 266 SG CYS A 17 -1.548 -3.049 -14.210 1.00 0.00 S ATOM 0 H CYS A 17 -4.110 -4.712 -13.795 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.287 -5.178 -16.025 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.868 -5.106 -12.991 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.580 -5.259 -14.169 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.326 -2.501 -13.325 1.00 0.00 H new ATOM 272 N ALA A 18 -3.685 -7.621 -14.768 1.00 0.00 N ATOM 273 CA ALA A 18 -3.734 -9.077 -14.642 1.00 0.00 C ATOM 274 C ALA A 18 -3.129 -9.741 -15.873 1.00 0.00 C ATOM 275 O ALA A 18 -2.102 -10.416 -15.790 1.00 0.00 O ATOM 276 CB ALA A 18 -5.179 -9.551 -14.481 1.00 0.00 C ATOM 0 H ALA A 18 -4.595 -7.160 -14.762 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.158 -9.357 -13.760 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.198 -10.637 -14.389 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.611 -9.103 -13.586 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.760 -9.251 -15.353 1.00 0.00 H new ATOM 400 N ASP A 29 -10.668 -11.555 2.330 1.00 0.00 N ATOM 401 CA ASP A 29 -9.417 -10.813 2.214 1.00 0.00 C ATOM 402 C ASP A 29 -8.650 -11.260 0.975 1.00 0.00 C ATOM 403 O ASP A 29 -8.653 -12.438 0.616 1.00 0.00 O ATOM 404 CB ASP A 29 -8.543 -11.037 3.450 1.00 0.00 C ATOM 405 CG ASP A 29 -8.943 -10.051 4.542 1.00 0.00 C ATOM 406 OD1 ASP A 29 -8.899 -8.860 4.282 1.00 0.00 O ATOM 407 OD2 ASP A 29 -9.287 -10.502 5.622 1.00 0.00 O ATOM 0 HA ASP A 29 -9.659 -9.754 2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.658 -12.060 3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.492 -10.905 3.194 1.00 0.00 H new ATOM 412 N PHE A 30 -7.991 -10.305 0.327 1.00 0.00 N ATOM 413 CA PHE A 30 -7.218 -10.609 -0.875 1.00 0.00 C ATOM 414 C PHE A 30 -5.822 -9.998 -0.799 1.00 0.00 C ATOM 415 O PHE A 30 -5.183 -9.753 -1.821 1.00 0.00 O ATOM 416 CB PHE A 30 -7.925 -10.067 -2.117 1.00 0.00 C ATOM 417 CG PHE A 30 -8.254 -8.602 -1.925 1.00 0.00 C ATOM 418 CD1 PHE A 30 -7.272 -7.624 -2.136 1.00 0.00 C ATOM 419 CD2 PHE A 30 -9.546 -8.224 -1.541 1.00 0.00 C ATOM 420 CE1 PHE A 30 -7.583 -6.271 -1.960 1.00 0.00 C ATOM 421 CE2 PHE A 30 -9.856 -6.871 -1.365 1.00 0.00 C ATOM 422 CZ PHE A 30 -8.876 -5.894 -1.575 1.00 0.00 C ATOM 0 H PHE A 30 -7.975 -9.325 0.608 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.132 -11.693 -0.942 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.289 -10.194 -2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.838 -10.632 -2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.276 -7.915 -2.434 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.304 -8.977 -1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.826 -5.518 -2.121 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.852 -6.580 -1.067 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.117 -4.850 -1.440 1.00 0.00 H new ATOM 432 N LEU A 31 -5.351 -9.756 0.420 1.00 0.00 N ATOM 433 CA LEU A 31 -4.026 -9.172 0.605 1.00 0.00 C ATOM 434 C LEU A 31 -3.186 -10.025 1.547 1.00 0.00 C ATOM 435 O LEU A 31 -2.361 -9.513 2.305 1.00 0.00 O ATOM 436 CB LEU A 31 -4.140 -7.754 1.165 1.00 0.00 C ATOM 437 CG LEU A 31 -4.957 -6.898 0.199 1.00 0.00 C ATOM 438 CD1 LEU A 31 -5.385 -5.603 0.891 1.00 0.00 C ATOM 439 CD2 LEU A 31 -4.107 -6.565 -1.031 1.00 0.00 C ATOM 0 H LEU A 31 -5.858 -9.951 1.283 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.537 -9.135 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.617 -7.774 2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.148 -7.323 1.302 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.845 -7.450 -0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.967 -4.996 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.992 -5.841 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.500 -5.048 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.689 -5.954 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.218 -6.015 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.808 -7.488 -1.527 1.00 0.00 H new ATOM 451 N ASP A 32 -3.398 -11.334 1.481 1.00 0.00 N ATOM 452 CA ASP A 32 -2.650 -12.264 2.321 1.00 0.00 C ATOM 453 C ASP A 32 -1.627 -13.020 1.479 1.00 0.00 C ATOM 454 O ASP A 32 -0.546 -13.370 1.952 1.00 0.00 O ATOM 455 CB ASP A 32 -3.593 -13.269 2.983 1.00 0.00 C ATOM 456 CG ASP A 32 -4.080 -12.708 4.315 1.00 0.00 C ATOM 457 OD1 ASP A 32 -3.292 -12.681 5.246 1.00 0.00 O ATOM 458 OD2 ASP A 32 -5.232 -12.315 4.384 1.00 0.00 O ATOM 0 H ASP A 32 -4.077 -11.774 0.859 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.139 -11.690 3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.442 -13.472 2.330 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.078 -14.217 3.142 1.00 0.00 H new ATOM 463 N LEU A 33 -1.985 -13.264 0.220 1.00 0.00 N ATOM 464 CA LEU A 33 -1.099 -13.976 -0.696 1.00 0.00 C ATOM 465 C LEU A 33 -1.614 -13.839 -2.128 1.00 0.00 C ATOM 466 O LEU A 33 -1.692 -14.813 -2.879 1.00 0.00 O ATOM 467 CB LEU A 33 -1.023 -15.458 -0.320 1.00 0.00 C ATOM 468 CG LEU A 33 0.274 -16.051 -0.868 1.00 0.00 C ATOM 469 CD1 LEU A 33 1.404 -15.826 0.137 1.00 0.00 C ATOM 470 CD2 LEU A 33 0.091 -17.553 -1.101 1.00 0.00 C ATOM 0 H LEU A 33 -2.877 -12.981 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.102 -13.541 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.060 -15.573 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.881 -15.993 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 33 0.524 -15.564 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.329 -16.249 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.536 -14.757 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.154 -16.311 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.016 -17.976 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.161 -18.039 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.713 -17.715 -1.819 1.00 0.00 H new ATOM 482 N ARG A 34 -1.976 -12.611 -2.492 1.00 0.00 N ATOM 483 CA ARG A 34 -2.496 -12.340 -3.831 1.00 0.00 C ATOM 484 C ARG A 34 -1.393 -12.459 -4.882 1.00 0.00 C ATOM 485 O ARG A 34 -1.545 -13.161 -5.881 1.00 0.00 O ATOM 486 CB ARG A 34 -3.104 -10.932 -3.886 1.00 0.00 C ATOM 487 CG ARG A 34 -4.379 -10.950 -4.736 1.00 0.00 C ATOM 488 CD ARG A 34 -4.023 -11.257 -6.191 1.00 0.00 C ATOM 489 NE ARG A 34 -5.225 -11.271 -7.022 1.00 0.00 N ATOM 490 CZ ARG A 34 -5.953 -12.376 -7.154 1.00 0.00 C ATOM 491 NH1 ARG A 34 -6.729 -12.765 -6.179 1.00 0.00 N ATOM 492 NH2 ARG A 34 -5.892 -13.071 -8.257 1.00 0.00 N ATOM 0 H ARG A 34 -1.920 -11.794 -1.885 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.266 -13.080 -4.049 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.333 -10.585 -2.878 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.384 -10.231 -4.309 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.071 -11.700 -4.355 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.885 -9.987 -4.671 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.324 -10.509 -6.566 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.521 -12.222 -6.252 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.510 -10.421 -7.508 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.776 -12.222 -5.317 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.288 -13.612 -6.279 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.286 -12.767 -9.019 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.451 -13.918 -8.357 1.00 0.00 H new ATOM 506 N PHE A 35 -0.279 -11.765 -4.650 1.00 0.00 N ATOM 507 CA PHE A 35 0.840 -11.803 -5.595 1.00 0.00 C ATOM 508 C PHE A 35 1.359 -13.232 -5.758 1.00 0.00 C ATOM 509 O PHE A 35 1.388 -13.773 -6.863 1.00 0.00 O ATOM 510 CB PHE A 35 1.985 -10.906 -5.115 1.00 0.00 C ATOM 511 CG PHE A 35 1.776 -9.497 -5.626 1.00 0.00 C ATOM 512 CD1 PHE A 35 0.574 -8.828 -5.357 1.00 0.00 C ATOM 513 CD2 PHE A 35 2.781 -8.857 -6.367 1.00 0.00 C ATOM 514 CE1 PHE A 35 0.379 -7.523 -5.826 1.00 0.00 C ATOM 515 CE2 PHE A 35 2.581 -7.554 -6.833 1.00 0.00 C ATOM 516 CZ PHE A 35 1.383 -6.888 -6.564 1.00 0.00 C ATOM 0 H PHE A 35 -0.127 -11.178 -3.830 1.00 0.00 H new ATOM 0 HA PHE A 35 0.476 -11.439 -6.556 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.028 -10.906 -4.026 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.939 -11.295 -5.471 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.202 -9.319 -4.788 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.708 -9.370 -6.577 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.547 -7.007 -5.618 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.355 -7.061 -7.403 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.232 -5.882 -6.926 1.00 0.00 H new ATOM 526 N GLU A 36 1.766 -13.841 -4.647 1.00 0.00 N ATOM 527 CA GLU A 36 2.282 -15.210 -4.682 1.00 0.00 C ATOM 528 C GLU A 36 1.252 -16.177 -5.279 1.00 0.00 C ATOM 529 O GLU A 36 1.604 -17.260 -5.745 1.00 0.00 O ATOM 530 CB GLU A 36 2.645 -15.675 -3.264 1.00 0.00 C ATOM 531 CG GLU A 36 4.019 -16.347 -3.271 1.00 0.00 C ATOM 532 CD GLU A 36 5.109 -15.282 -3.271 1.00 0.00 C ATOM 533 OE1 GLU A 36 4.921 -14.269 -3.924 1.00 0.00 O ATOM 534 OE2 GLU A 36 6.117 -15.496 -2.616 1.00 0.00 O ATOM 0 H GLU A 36 1.750 -13.415 -3.720 1.00 0.00 H new ATOM 0 HA GLU A 36 3.171 -15.213 -5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.651 -14.824 -2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.892 -16.372 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.125 -16.990 -2.397 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.119 -16.984 -4.150 1.00 0.00 H new ATOM 541 N ASP A 37 -0.024 -15.781 -5.257 1.00 0.00 N ATOM 542 CA ASP A 37 -1.093 -16.628 -5.794 1.00 0.00 C ATOM 543 C ASP A 37 -0.800 -17.037 -7.240 1.00 0.00 C ATOM 544 O ASP A 37 -0.529 -18.204 -7.523 1.00 0.00 O ATOM 545 CB ASP A 37 -2.436 -15.892 -5.743 1.00 0.00 C ATOM 546 CG ASP A 37 -3.549 -16.876 -5.391 1.00 0.00 C ATOM 547 OD1 ASP A 37 -3.687 -17.859 -6.100 1.00 0.00 O ATOM 548 OD2 ASP A 37 -4.244 -16.631 -4.419 1.00 0.00 O ATOM 0 H ASP A 37 -0.340 -14.889 -4.877 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.143 -17.525 -5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.396 -15.093 -5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.642 -15.424 -6.706 1.00 0.00 H new ATOM 553 N ILE A 38 -0.856 -16.066 -8.150 1.00 0.00 N ATOM 554 CA ILE A 38 -0.593 -16.350 -9.559 1.00 0.00 C ATOM 555 C ILE A 38 0.914 -16.242 -9.841 1.00 0.00 C ATOM 556 O ILE A 38 1.729 -16.393 -8.932 1.00 0.00 O ATOM 557 CB ILE A 38 -1.403 -15.395 -10.463 1.00 0.00 C ATOM 558 CG1 ILE A 38 -0.862 -13.961 -10.369 1.00 0.00 C ATOM 559 CG2 ILE A 38 -2.869 -15.396 -10.025 1.00 0.00 C ATOM 560 CD1 ILE A 38 -1.557 -13.082 -11.416 1.00 0.00 C ATOM 0 H ILE A 38 -1.077 -15.092 -7.942 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.911 -17.368 -9.784 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.313 -15.742 -11.492 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.035 -13.561 -9.370 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.216 -13.956 -10.532 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.440 -14.722 -10.663 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.273 -16.405 -10.109 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.940 -15.062 -8.990 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.173 -12.064 -11.349 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.361 -13.479 -12.412 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.631 -13.077 -11.232 1.00 0.00 H new ATOM 572 N GLY A 39 1.281 -15.993 -11.101 1.00 0.00 N ATOM 573 CA GLY A 39 2.692 -15.881 -11.460 1.00 0.00 C ATOM 574 C GLY A 39 3.188 -14.444 -11.314 1.00 0.00 C ATOM 575 O GLY A 39 3.685 -13.845 -12.269 1.00 0.00 O ATOM 0 H GLY A 39 0.630 -15.867 -11.877 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.285 -16.539 -10.825 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.836 -16.215 -12.487 1.00 0.00 H new ATOM 579 N TYR A 40 3.056 -13.900 -10.107 1.00 0.00 N ATOM 580 CA TYR A 40 3.502 -12.535 -9.840 1.00 0.00 C ATOM 581 C TYR A 40 4.771 -12.561 -8.985 1.00 0.00 C ATOM 582 O TYR A 40 4.826 -11.987 -7.896 1.00 0.00 O ATOM 583 CB TYR A 40 2.406 -11.744 -9.108 1.00 0.00 C ATOM 584 CG TYR A 40 1.599 -10.935 -10.098 1.00 0.00 C ATOM 585 CD1 TYR A 40 2.244 -10.068 -10.988 1.00 0.00 C ATOM 586 CD2 TYR A 40 0.203 -11.046 -10.116 1.00 0.00 C ATOM 587 CE1 TYR A 40 1.494 -9.314 -11.898 1.00 0.00 C ATOM 588 CE2 TYR A 40 -0.545 -10.292 -11.028 1.00 0.00 C ATOM 589 CZ TYR A 40 0.100 -9.426 -11.917 1.00 0.00 C ATOM 590 OH TYR A 40 -0.639 -8.685 -12.815 1.00 0.00 O ATOM 0 H TYR A 40 2.647 -14.378 -9.304 1.00 0.00 H new ATOM 0 HA TYR A 40 3.713 -12.047 -10.792 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.752 -12.429 -8.568 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.857 -11.083 -8.368 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.320 -9.981 -10.972 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.296 -11.712 -9.427 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.992 -8.646 -12.585 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.621 -10.379 -11.045 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.162 -8.637 -13.670 1.00 0.00 H new ATOM 600 N ASP A 41 5.793 -13.247 -9.491 1.00 0.00 N ATOM 601 CA ASP A 41 7.058 -13.355 -8.765 1.00 0.00 C ATOM 602 C ASP A 41 7.676 -11.977 -8.542 1.00 0.00 C ATOM 603 O ASP A 41 8.012 -11.610 -7.417 1.00 0.00 O ATOM 604 CB ASP A 41 8.058 -14.246 -9.519 1.00 0.00 C ATOM 605 CG ASP A 41 8.093 -13.886 -11.002 1.00 0.00 C ATOM 606 OD1 ASP A 41 7.289 -14.428 -11.742 1.00 0.00 O ATOM 607 OD2 ASP A 41 8.924 -13.076 -11.375 1.00 0.00 O ATOM 0 H ASP A 41 5.773 -13.731 -10.389 1.00 0.00 H new ATOM 0 HA ASP A 41 6.839 -13.811 -7.799 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.052 -14.130 -9.088 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.780 -15.293 -9.401 1.00 0.00 H new ATOM 612 N SER A 42 7.822 -11.214 -9.627 1.00 0.00 N ATOM 613 CA SER A 42 8.402 -9.867 -9.545 1.00 0.00 C ATOM 614 C SER A 42 8.699 -9.331 -10.942 1.00 0.00 C ATOM 615 O SER A 42 8.283 -8.230 -11.300 1.00 0.00 O ATOM 616 CB SER A 42 9.706 -9.867 -8.733 1.00 0.00 C ATOM 617 OG SER A 42 10.295 -11.159 -8.791 1.00 0.00 O ATOM 0 H SER A 42 7.550 -11.501 -10.567 1.00 0.00 H new ATOM 0 HA SER A 42 7.672 -9.230 -9.046 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.395 -9.122 -9.130 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.503 -9.593 -7.698 1.00 0.00 H new ATOM 0 HG SER A 42 11.128 -11.162 -8.275 1.00 0.00 H new ATOM 623 N LEU A 43 9.429 -10.123 -11.725 1.00 0.00 N ATOM 624 CA LEU A 43 9.789 -9.722 -13.086 1.00 0.00 C ATOM 625 C LEU A 43 8.539 -9.417 -13.909 1.00 0.00 C ATOM 626 O LEU A 43 8.529 -8.502 -14.732 1.00 0.00 O ATOM 627 CB LEU A 43 10.586 -10.835 -13.779 1.00 0.00 C ATOM 628 CG LEU A 43 12.093 -10.653 -13.532 1.00 0.00 C ATOM 629 CD1 LEU A 43 12.564 -9.322 -14.122 1.00 0.00 C ATOM 630 CD2 LEU A 43 12.382 -10.677 -12.027 1.00 0.00 C ATOM 0 H LEU A 43 9.781 -11.039 -11.445 1.00 0.00 H new ATOM 0 HA LEU A 43 10.402 -8.823 -13.018 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.265 -11.807 -13.405 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.383 -10.823 -14.850 1.00 0.00 H new ATOM 0 HG LEU A 43 12.629 -11.469 -14.015 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.632 -9.202 -13.942 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.373 -9.312 -15.195 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.022 -8.503 -13.650 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.451 -10.548 -11.860 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.838 -9.868 -11.539 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.063 -11.632 -11.610 1.00 0.00 H new ATOM 642 N ALA A 44 7.485 -10.192 -13.675 1.00 0.00 N ATOM 643 CA ALA A 44 6.232 -9.994 -14.398 1.00 0.00 C ATOM 644 C ALA A 44 5.640 -8.627 -14.065 1.00 0.00 C ATOM 645 O ALA A 44 5.266 -7.862 -14.954 1.00 0.00 O ATOM 646 CB ALA A 44 5.221 -11.080 -14.025 1.00 0.00 C ATOM 0 H ALA A 44 7.471 -10.955 -12.998 1.00 0.00 H new ATOM 0 HA ALA A 44 6.444 -10.050 -15.466 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.293 -10.917 -14.573 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.627 -12.059 -14.282 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.022 -11.039 -12.954 1.00 0.00 H new ATOM 652 N LEU A 45 5.560 -8.334 -12.771 1.00 0.00 N ATOM 653 CA LEU A 45 5.011 -7.054 -12.317 1.00 0.00 C ATOM 654 C LEU A 45 6.092 -5.973 -12.209 1.00 0.00 C ATOM 655 O LEU A 45 5.842 -4.883 -11.694 1.00 0.00 O ATOM 656 CB LEU A 45 4.337 -7.225 -10.957 1.00 0.00 C ATOM 657 CG LEU A 45 5.354 -7.711 -9.910 1.00 0.00 C ATOM 658 CD1 LEU A 45 5.746 -6.553 -8.994 1.00 0.00 C ATOM 659 CD2 LEU A 45 4.729 -8.823 -9.063 1.00 0.00 C ATOM 0 H LEU A 45 5.864 -8.956 -12.022 1.00 0.00 H new ATOM 0 HA LEU A 45 4.281 -6.734 -13.061 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.902 -6.278 -10.638 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.519 -7.940 -11.037 1.00 0.00 H new ATOM 0 HG LEU A 45 6.238 -8.089 -10.424 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.466 -6.902 -8.254 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.193 -5.755 -9.587 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.859 -6.174 -8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.451 -9.166 -8.322 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.843 -8.440 -8.556 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.447 -9.656 -9.707 1.00 0.00 H new ATOM 671 N MET A 46 7.293 -6.280 -12.691 1.00 0.00 N ATOM 672 CA MET A 46 8.393 -5.320 -12.632 1.00 0.00 C ATOM 673 C MET A 46 8.199 -4.209 -13.661 1.00 0.00 C ATOM 674 O MET A 46 8.289 -3.025 -13.338 1.00 0.00 O ATOM 675 CB MET A 46 9.729 -6.014 -12.906 1.00 0.00 C ATOM 676 CG MET A 46 10.842 -5.299 -12.138 1.00 0.00 C ATOM 677 SD MET A 46 11.314 -3.794 -13.027 1.00 0.00 S ATOM 678 CE MET A 46 12.773 -3.396 -12.034 1.00 0.00 C ATOM 0 H MET A 46 7.529 -7.174 -13.122 1.00 0.00 H new ATOM 0 HA MET A 46 8.401 -4.891 -11.630 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.677 -7.060 -12.602 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.945 -6.003 -13.974 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.503 -5.050 -11.133 1.00 0.00 H new ATOM 0 HG3 MET A 46 11.705 -5.956 -12.030 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.233 -2.483 -12.413 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.477 -3.249 -10.995 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.489 -4.216 -12.095 1.00 0.00 H new ATOM 688 N GLU A 47 7.940 -4.604 -14.904 1.00 0.00 N ATOM 689 CA GLU A 47 7.742 -3.630 -15.977 1.00 0.00 C ATOM 690 C GLU A 47 6.364 -2.986 -15.873 1.00 0.00 C ATOM 691 O GLU A 47 6.207 -1.784 -16.088 1.00 0.00 O ATOM 692 CB GLU A 47 7.874 -4.306 -17.344 1.00 0.00 C ATOM 693 CG GLU A 47 9.353 -4.427 -17.715 1.00 0.00 C ATOM 694 CD GLU A 47 9.479 -4.797 -19.189 1.00 0.00 C ATOM 695 OE1 GLU A 47 9.267 -3.928 -20.018 1.00 0.00 O ATOM 696 OE2 GLU A 47 9.788 -5.945 -19.467 1.00 0.00 O ATOM 0 H GLU A 47 7.863 -5.579 -15.193 1.00 0.00 H new ATOM 0 HA GLU A 47 8.508 -2.861 -15.875 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.413 -5.293 -17.319 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.345 -3.726 -18.100 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.866 -3.485 -17.520 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.833 -5.185 -17.096 1.00 0.00 H new ATOM 703 N THR A 48 5.365 -3.801 -15.547 1.00 0.00 N ATOM 704 CA THR A 48 3.996 -3.306 -15.420 1.00 0.00 C ATOM 705 C THR A 48 3.909 -2.229 -14.340 1.00 0.00 C ATOM 706 O THR A 48 3.285 -1.185 -14.532 1.00 0.00 O ATOM 707 CB THR A 48 3.048 -4.452 -15.061 1.00 0.00 C ATOM 708 OG1 THR A 48 3.230 -5.520 -15.981 1.00 0.00 O ATOM 709 CG2 THR A 48 1.601 -3.963 -15.128 1.00 0.00 C ATOM 0 H THR A 48 5.475 -4.799 -15.367 1.00 0.00 H new ATOM 0 HA THR A 48 3.704 -2.877 -16.378 1.00 0.00 H new ATOM 0 HB THR A 48 3.265 -4.798 -14.051 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.827 -6.191 -15.589 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.928 -4.781 -14.872 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.461 -3.144 -14.423 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.381 -3.615 -16.137 1.00 0.00 H new ATOM 717 N ALA A 49 4.540 -2.498 -13.202 1.00 0.00 N ATOM 718 CA ALA A 49 4.529 -1.548 -12.092 1.00 0.00 C ATOM 719 C ALA A 49 5.443 -0.362 -12.388 1.00 0.00 C ATOM 720 O ALA A 49 5.202 0.754 -11.927 1.00 0.00 O ATOM 721 CB ALA A 49 4.996 -2.226 -10.803 1.00 0.00 C ATOM 0 H ALA A 49 5.061 -3.357 -13.023 1.00 0.00 H new ATOM 0 HA ALA A 49 3.506 -1.193 -11.968 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.982 -1.504 -9.986 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.329 -3.055 -10.566 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.010 -2.603 -10.937 1.00 0.00 H new ATOM 727 N ALA A 50 6.496 -0.614 -13.163 1.00 0.00 N ATOM 728 CA ALA A 50 7.444 0.441 -13.514 1.00 0.00 C ATOM 729 C ALA A 50 6.741 1.573 -14.257 1.00 0.00 C ATOM 730 O ALA A 50 7.052 2.749 -14.064 1.00 0.00 O ATOM 731 CB ALA A 50 8.561 -0.116 -14.400 1.00 0.00 C ATOM 0 H ALA A 50 6.713 -1.530 -13.556 1.00 0.00 H new ATOM 0 HA ALA A 50 7.870 0.827 -12.588 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.258 0.683 -14.652 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.091 -0.904 -13.865 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.131 -0.524 -15.315 1.00 0.00 H new ATOM 737 N ARG A 51 5.787 1.206 -15.108 1.00 0.00 N ATOM 738 CA ARG A 51 5.041 2.201 -15.876 1.00 0.00 C ATOM 739 C ARG A 51 3.874 2.745 -15.056 1.00 0.00 C ATOM 740 O ARG A 51 3.469 3.896 -15.219 1.00 0.00 O ATOM 741 CB ARG A 51 4.499 1.589 -17.170 1.00 0.00 C ATOM 742 CG ARG A 51 5.661 1.303 -18.130 1.00 0.00 C ATOM 743 CD ARG A 51 5.255 1.676 -19.558 1.00 0.00 C ATOM 744 NE ARG A 51 6.393 2.237 -20.282 1.00 0.00 N ATOM 745 CZ ARG A 51 6.263 2.664 -21.535 1.00 0.00 C ATOM 746 NH1 ARG A 51 5.193 3.318 -21.896 1.00 0.00 N ATOM 747 NH2 ARG A 51 7.208 2.430 -22.404 1.00 0.00 N ATOM 0 H ARG A 51 5.514 0.239 -15.283 1.00 0.00 H new ATOM 0 HA ARG A 51 5.724 3.015 -16.120 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.960 0.667 -16.950 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.788 2.271 -17.637 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.541 1.873 -17.831 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.933 0.249 -18.083 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.884 0.794 -20.079 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.439 2.399 -19.534 1.00 0.00 H new ATOM 0 HE ARG A 51 7.300 2.302 -19.820 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.455 3.503 -21.217 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.095 3.645 -22.857 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.045 1.920 -22.122 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.109 2.757 -23.365 1.00 0.00 H new ATOM 761 N LEU A 52 3.339 1.906 -14.173 1.00 0.00 N ATOM 762 CA LEU A 52 2.220 2.315 -13.329 1.00 0.00 C ATOM 763 C LEU A 52 2.629 3.462 -12.406 1.00 0.00 C ATOM 764 O LEU A 52 1.790 4.248 -11.964 1.00 0.00 O ATOM 765 CB LEU A 52 1.732 1.139 -12.480 1.00 0.00 C ATOM 766 CG LEU A 52 0.328 1.439 -11.947 1.00 0.00 C ATOM 767 CD1 LEU A 52 -0.502 0.153 -11.936 1.00 0.00 C ATOM 768 CD2 LEU A 52 0.428 1.989 -10.522 1.00 0.00 C ATOM 0 H LEU A 52 3.658 0.949 -14.024 1.00 0.00 H new ATOM 0 HA LEU A 52 1.415 2.650 -13.983 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.718 0.227 -13.077 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.418 0.967 -11.651 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.152 2.177 -12.590 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.501 0.368 -11.556 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.576 -0.241 -12.950 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.021 -0.585 -11.294 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.572 2.202 -10.143 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.909 1.251 -9.880 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.018 2.906 -10.526 1.00 0.00 H new ATOM 780 N GLU A 53 3.930 3.552 -12.115 1.00 0.00 N ATOM 781 CA GLU A 53 4.439 4.608 -11.239 1.00 0.00 C ATOM 782 C GLU A 53 4.856 5.851 -12.030 1.00 0.00 C ATOM 783 O GLU A 53 5.681 6.641 -11.571 1.00 0.00 O ATOM 784 CB GLU A 53 5.648 4.103 -10.457 1.00 0.00 C ATOM 785 CG GLU A 53 6.710 3.583 -11.430 1.00 0.00 C ATOM 786 CD GLU A 53 8.093 3.747 -10.809 1.00 0.00 C ATOM 787 OE1 GLU A 53 8.403 4.848 -10.383 1.00 0.00 O ATOM 788 OE2 GLU A 53 8.821 2.770 -10.765 1.00 0.00 O ATOM 0 H GLU A 53 4.642 2.913 -12.469 1.00 0.00 H new ATOM 0 HA GLU A 53 3.631 4.879 -10.560 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.061 4.907 -9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.346 3.309 -9.774 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.525 2.534 -11.660 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.655 4.130 -12.371 1.00 0.00 H new ATOM 795 N SER A 54 4.289 6.017 -13.220 1.00 0.00 N ATOM 796 CA SER A 54 4.624 7.165 -14.059 1.00 0.00 C ATOM 797 C SER A 54 3.611 8.291 -13.863 1.00 0.00 C ATOM 798 O SER A 54 3.953 9.471 -13.948 1.00 0.00 O ATOM 799 CB SER A 54 4.637 6.762 -15.533 1.00 0.00 C ATOM 800 OG SER A 54 5.100 7.855 -16.315 1.00 0.00 O ATOM 0 H SER A 54 3.602 5.380 -13.623 1.00 0.00 H new ATOM 0 HA SER A 54 5.614 7.515 -13.766 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.283 5.896 -15.679 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.636 6.471 -15.851 1.00 0.00 H new ATOM 0 HG SER A 54 5.111 7.599 -17.261 1.00 0.00 H new ATOM 806 N ARG A 55 2.362 7.915 -13.605 1.00 0.00 N ATOM 807 CA ARG A 55 1.310 8.909 -13.405 1.00 0.00 C ATOM 808 C ARG A 55 1.451 9.580 -12.040 1.00 0.00 C ATOM 809 O ARG A 55 1.080 10.741 -11.864 1.00 0.00 O ATOM 810 CB ARG A 55 -0.074 8.262 -13.508 1.00 0.00 C ATOM 811 CG ARG A 55 -0.157 7.065 -12.561 1.00 0.00 C ATOM 812 CD ARG A 55 -1.623 6.699 -12.325 1.00 0.00 C ATOM 813 NE ARG A 55 -2.142 5.904 -13.435 1.00 0.00 N ATOM 814 CZ ARG A 55 -3.393 6.055 -13.859 1.00 0.00 C ATOM 815 NH1 ARG A 55 -4.378 6.039 -13.003 1.00 0.00 N ATOM 816 NH2 ARG A 55 -3.636 6.217 -15.131 1.00 0.00 N ATOM 0 H ARG A 55 2.055 6.945 -13.530 1.00 0.00 H new ATOM 0 HA ARG A 55 1.414 9.661 -14.187 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.846 8.990 -13.257 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.260 7.940 -14.533 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.377 6.215 -12.986 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.326 7.304 -11.613 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.718 6.139 -11.395 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.216 7.607 -12.213 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.536 5.223 -13.892 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.188 5.911 -12.009 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.338 6.155 -13.328 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.866 6.228 -15.800 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.596 6.333 -15.456 1.00 0.00 H new ATOM 830 N TYR A 56 1.998 8.843 -11.073 1.00 0.00 N ATOM 831 CA TYR A 56 2.185 9.391 -9.732 1.00 0.00 C ATOM 832 C TYR A 56 3.439 10.261 -9.689 1.00 0.00 C ATOM 833 O TYR A 56 3.410 11.392 -9.204 1.00 0.00 O ATOM 834 CB TYR A 56 2.323 8.267 -8.698 1.00 0.00 C ATOM 835 CG TYR A 56 1.126 7.349 -8.782 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.038 7.639 -8.056 1.00 0.00 C ATOM 837 CD2 TYR A 56 1.179 6.205 -9.586 1.00 0.00 C ATOM 838 CE1 TYR A 56 -1.144 6.784 -8.136 1.00 0.00 C ATOM 839 CE2 TYR A 56 0.075 5.350 -9.665 1.00 0.00 C ATOM 840 CZ TYR A 56 -1.088 5.640 -8.942 1.00 0.00 C ATOM 841 OH TYR A 56 -2.179 4.798 -9.020 1.00 0.00 O ATOM 0 H TYR A 56 2.314 7.881 -11.191 1.00 0.00 H new ATOM 0 HA TYR A 56 1.309 9.993 -9.491 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.239 7.704 -8.878 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.400 8.689 -7.696 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.081 8.522 -7.435 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.075 5.982 -10.147 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.040 7.007 -7.576 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.120 4.466 -10.284 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.975 4.053 -9.623 1.00 0.00 H new ATOM 851 N GLY A 57 4.541 9.721 -10.208 1.00 0.00 N ATOM 852 CA GLY A 57 5.805 10.455 -10.232 1.00 0.00 C ATOM 853 C GLY A 57 6.245 10.835 -8.820 1.00 0.00 C ATOM 854 O GLY A 57 6.731 11.940 -8.582 1.00 0.00 O ATOM 0 H GLY A 57 4.585 8.786 -10.614 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.575 9.845 -10.705 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.695 11.355 -10.837 1.00 0.00 H new ATOM 858 N VAL A 58 6.060 9.907 -7.887 1.00 0.00 N ATOM 859 CA VAL A 58 6.432 10.150 -6.502 1.00 0.00 C ATOM 860 C VAL A 58 7.891 9.761 -6.255 1.00 0.00 C ATOM 861 O VAL A 58 8.639 10.484 -5.597 1.00 0.00 O ATOM 862 CB VAL A 58 5.506 9.359 -5.566 1.00 0.00 C ATOM 863 CG1 VAL A 58 5.712 7.849 -5.746 1.00 0.00 C ATOM 864 CG2 VAL A 58 5.805 9.743 -4.122 1.00 0.00 C ATOM 0 H VAL A 58 5.658 8.987 -8.065 1.00 0.00 H new ATOM 0 HA VAL A 58 6.324 11.215 -6.296 1.00 0.00 H new ATOM 0 HB VAL A 58 4.471 9.600 -5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.046 7.308 -5.073 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.490 7.572 -6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.746 7.593 -5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.150 9.184 -3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.844 9.509 -3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.635 10.811 -3.987 1.00 0.00 H new ATOM 874 N SER A 59 8.284 8.609 -6.789 1.00 0.00 N ATOM 875 CA SER A 59 9.653 8.128 -6.618 1.00 0.00 C ATOM 876 C SER A 59 9.988 7.081 -7.679 1.00 0.00 C ATOM 877 O SER A 59 9.239 6.885 -8.635 1.00 0.00 O ATOM 878 CB SER A 59 9.831 7.510 -5.231 1.00 0.00 C ATOM 879 OG SER A 59 9.287 8.387 -4.253 1.00 0.00 O ATOM 0 H SER A 59 7.682 7.996 -7.339 1.00 0.00 H new ATOM 0 HA SER A 59 10.326 8.979 -6.725 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.333 6.542 -5.185 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.888 7.335 -5.031 1.00 0.00 H new ATOM 0 HG SER A 59 9.365 9.313 -4.564 1.00 0.00 H new ATOM 885 N ILE A 60 11.125 6.412 -7.499 1.00 0.00 N ATOM 886 CA ILE A 60 11.555 5.386 -8.446 1.00 0.00 C ATOM 887 C ILE A 60 11.959 4.101 -7.705 1.00 0.00 C ATOM 888 O ILE A 60 13.126 3.705 -7.723 1.00 0.00 O ATOM 889 CB ILE A 60 12.744 5.890 -9.276 1.00 0.00 C ATOM 890 CG1 ILE A 60 12.421 7.270 -9.876 1.00 0.00 C ATOM 891 CG2 ILE A 60 13.045 4.895 -10.402 1.00 0.00 C ATOM 892 CD1 ILE A 60 11.180 7.191 -10.777 1.00 0.00 C ATOM 0 H ILE A 60 11.760 6.560 -6.714 1.00 0.00 H new ATOM 0 HA ILE A 60 10.719 5.167 -9.110 1.00 0.00 H new ATOM 0 HB ILE A 60 13.617 5.980 -8.629 1.00 0.00 H new ATOM 0 HG12 ILE A 60 12.250 7.990 -9.075 1.00 0.00 H new ATOM 0 HG13 ILE A 60 13.273 7.630 -10.452 1.00 0.00 H new ATOM 0 HG21 ILE A 60 13.889 5.255 -10.990 1.00 0.00 H new ATOM 0 HG22 ILE A 60 13.290 3.923 -9.973 1.00 0.00 H new ATOM 0 HG23 ILE A 60 12.170 4.798 -11.045 1.00 0.00 H new ATOM 0 HD11 ILE A 60 10.968 8.177 -11.192 1.00 0.00 H new ATOM 0 HD12 ILE A 60 11.364 6.488 -11.589 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.326 6.853 -10.191 1.00 0.00 H new ATOM 904 N PRO A 61 11.004 3.426 -7.040 1.00 0.00 N ATOM 905 CA PRO A 61 11.299 2.183 -6.302 1.00 0.00 C ATOM 906 C PRO A 61 11.334 0.957 -7.212 1.00 0.00 C ATOM 907 O PRO A 61 10.297 0.371 -7.526 1.00 0.00 O ATOM 908 CB PRO A 61 10.131 2.097 -5.328 1.00 0.00 C ATOM 909 CG PRO A 61 8.983 2.894 -5.936 1.00 0.00 C ATOM 910 CD PRO A 61 9.583 3.845 -6.976 1.00 0.00 C ATOM 0 HA PRO A 61 12.280 2.200 -5.827 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.838 1.059 -5.168 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.409 2.503 -4.355 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.257 2.227 -6.400 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.454 3.454 -5.165 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.090 3.746 -7.943 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.484 4.887 -6.673 1.00 0.00 H new ATOM 918 N ASP A 62 12.536 0.581 -7.637 1.00 0.00 N ATOM 919 CA ASP A 62 12.697 -0.575 -8.516 1.00 0.00 C ATOM 920 C ASP A 62 13.148 -1.804 -7.729 1.00 0.00 C ATOM 921 O ASP A 62 12.849 -2.938 -8.100 1.00 0.00 O ATOM 922 CB ASP A 62 13.732 -0.278 -9.603 1.00 0.00 C ATOM 923 CG ASP A 62 13.190 0.795 -10.541 1.00 0.00 C ATOM 924 OD1 ASP A 62 12.111 0.597 -11.076 1.00 0.00 O ATOM 925 OD2 ASP A 62 13.864 1.798 -10.714 1.00 0.00 O ATOM 0 H ASP A 62 13.406 1.054 -7.391 1.00 0.00 H new ATOM 0 HA ASP A 62 11.728 -0.778 -8.973 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.665 0.057 -9.150 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.958 -1.186 -10.163 1.00 0.00 H new ATOM 930 N ASP A 63 13.884 -1.567 -6.646 1.00 0.00 N ATOM 931 CA ASP A 63 14.383 -2.666 -5.823 1.00 0.00 C ATOM 932 C ASP A 63 13.305 -3.172 -4.868 1.00 0.00 C ATOM 933 O ASP A 63 12.932 -4.344 -4.895 1.00 0.00 O ATOM 934 CB ASP A 63 15.596 -2.213 -5.009 1.00 0.00 C ATOM 935 CG ASP A 63 16.388 -3.433 -4.553 1.00 0.00 C ATOM 936 OD1 ASP A 63 15.806 -4.283 -3.900 1.00 0.00 O ATOM 937 OD2 ASP A 63 17.566 -3.499 -4.863 1.00 0.00 O ATOM 0 H ASP A 63 14.146 -0.636 -6.321 1.00 0.00 H new ATOM 0 HA ASP A 63 14.670 -3.475 -6.494 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.228 -1.560 -5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.271 -1.633 -4.145 1.00 0.00 H new ATOM 942 N VAL A 64 12.817 -2.277 -4.014 1.00 0.00 N ATOM 943 CA VAL A 64 11.790 -2.646 -3.042 1.00 0.00 C ATOM 944 C VAL A 64 10.498 -3.067 -3.748 1.00 0.00 C ATOM 945 O VAL A 64 9.869 -4.059 -3.380 1.00 0.00 O ATOM 946 CB VAL A 64 11.512 -1.470 -2.090 1.00 0.00 C ATOM 947 CG1 VAL A 64 10.949 -0.276 -2.870 1.00 0.00 C ATOM 948 CG2 VAL A 64 10.506 -1.898 -1.016 1.00 0.00 C ATOM 0 H VAL A 64 13.111 -1.301 -3.974 1.00 0.00 H new ATOM 0 HA VAL A 64 12.157 -3.493 -2.463 1.00 0.00 H new ATOM 0 HB VAL A 64 12.448 -1.176 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.757 0.549 -2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.671 0.039 -3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.019 -0.566 -3.358 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.313 -1.061 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.574 -2.204 -1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.915 -2.733 -0.447 1.00 0.00 H new ATOM 958 N ALA A 65 10.109 -2.296 -4.758 1.00 0.00 N ATOM 959 CA ALA A 65 8.886 -2.595 -5.503 1.00 0.00 C ATOM 960 C ALA A 65 9.099 -3.777 -6.444 1.00 0.00 C ATOM 961 O ALA A 65 8.209 -4.605 -6.631 1.00 0.00 O ATOM 962 CB ALA A 65 8.450 -1.380 -6.322 1.00 0.00 C ATOM 0 H ALA A 65 10.613 -1.469 -5.078 1.00 0.00 H new ATOM 0 HA ALA A 65 8.110 -2.847 -4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.539 -1.619 -6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.262 -0.539 -5.654 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.238 -1.114 -7.026 1.00 0.00 H new ATOM 968 N GLY A 66 10.285 -3.840 -7.040 1.00 0.00 N ATOM 969 CA GLY A 66 10.603 -4.923 -7.968 1.00 0.00 C ATOM 970 C GLY A 66 10.532 -6.280 -7.276 1.00 0.00 C ATOM 971 O GLY A 66 10.208 -7.293 -7.896 1.00 0.00 O ATOM 0 H GLY A 66 11.035 -3.163 -6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.907 -4.903 -8.807 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.602 -4.773 -8.378 1.00 0.00 H new ATOM 975 N ARG A 67 10.843 -6.291 -5.984 1.00 0.00 N ATOM 976 CA ARG A 67 10.817 -7.534 -5.217 1.00 0.00 C ATOM 977 C ARG A 67 9.609 -7.563 -4.281 1.00 0.00 C ATOM 978 O ARG A 67 9.711 -7.962 -3.119 1.00 0.00 O ATOM 979 CB ARG A 67 12.099 -7.677 -4.391 1.00 0.00 C ATOM 980 CG ARG A 67 13.267 -8.025 -5.315 1.00 0.00 C ATOM 981 CD ARG A 67 14.558 -8.100 -4.498 1.00 0.00 C ATOM 982 NE ARG A 67 15.664 -8.571 -5.325 1.00 0.00 N ATOM 983 CZ ARG A 67 16.676 -7.766 -5.639 1.00 0.00 C ATOM 984 NH1 ARG A 67 17.629 -7.549 -4.774 1.00 0.00 N ATOM 985 NH2 ARG A 67 16.715 -7.194 -6.811 1.00 0.00 N ATOM 0 H ARG A 67 11.113 -5.465 -5.450 1.00 0.00 H new ATOM 0 HA ARG A 67 10.745 -8.363 -5.921 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.307 -6.748 -3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.974 -8.455 -3.638 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.081 -8.978 -5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.362 -7.272 -6.098 1.00 0.00 H new ATOM 0 HD2 ARG A 67 14.794 -7.117 -4.091 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.420 -8.771 -3.650 1.00 0.00 H new ATOM 0 HE ARG A 67 15.661 -9.532 -5.668 1.00 0.00 H new ATOM 0 HH11 ARG A 67 17.598 -7.996 -3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 67 18.405 -6.932 -5.014 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.970 -7.364 -7.486 1.00 0.00 H new ATOM 0 HH22 ARG A 67 17.491 -6.577 -7.052 1.00 0.00 H new ATOM 999 N VAL A 68 8.460 -7.137 -4.799 1.00 0.00 N ATOM 1000 CA VAL A 68 7.240 -7.121 -3.996 1.00 0.00 C ATOM 1001 C VAL A 68 6.579 -8.502 -4.004 1.00 0.00 C ATOM 1002 O VAL A 68 6.074 -8.963 -5.029 1.00 0.00 O ATOM 1003 CB VAL A 68 6.261 -6.056 -4.524 1.00 0.00 C ATOM 1004 CG1 VAL A 68 5.796 -6.409 -5.942 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.046 -5.973 -3.596 1.00 0.00 C ATOM 0 H VAL A 68 8.348 -6.803 -5.756 1.00 0.00 H new ATOM 0 HA VAL A 68 7.505 -6.868 -2.970 1.00 0.00 H new ATOM 0 HB VAL A 68 6.772 -5.094 -4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.105 -5.645 -6.299 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.659 -6.457 -6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.293 -7.376 -5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.353 -5.219 -3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.546 -6.941 -3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.373 -5.700 -2.593 1.00 0.00 H new ATOM 1015 N ASP A 69 6.594 -9.159 -2.848 1.00 0.00 N ATOM 1016 CA ASP A 69 5.997 -10.487 -2.730 1.00 0.00 C ATOM 1017 C ASP A 69 4.536 -10.384 -2.299 1.00 0.00 C ATOM 1018 O ASP A 69 3.714 -11.233 -2.639 1.00 0.00 O ATOM 1019 CB ASP A 69 6.760 -11.332 -1.708 1.00 0.00 C ATOM 1020 CG ASP A 69 6.827 -10.588 -0.378 1.00 0.00 C ATOM 1021 OD1 ASP A 69 5.830 -10.584 0.326 1.00 0.00 O ATOM 1022 OD2 ASP A 69 7.872 -10.033 -0.083 1.00 0.00 O ATOM 0 H ASP A 69 7.008 -8.799 -1.988 1.00 0.00 H new ATOM 0 HA ASP A 69 6.053 -10.964 -3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.265 -12.294 -1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.766 -11.540 -2.071 1.00 0.00 H new ATOM 1027 N THR A 70 4.223 -9.333 -1.545 1.00 0.00 N ATOM 1028 CA THR A 70 2.859 -9.127 -1.072 1.00 0.00 C ATOM 1029 C THR A 70 2.223 -7.931 -1.788 1.00 0.00 C ATOM 1030 O THR A 70 2.926 -7.023 -2.228 1.00 0.00 O ATOM 1031 CB THR A 70 2.847 -8.868 0.436 1.00 0.00 C ATOM 1032 OG1 THR A 70 4.042 -8.194 0.808 1.00 0.00 O ATOM 1033 CG2 THR A 70 2.756 -10.199 1.183 1.00 0.00 C ATOM 0 H THR A 70 4.889 -8.618 -1.251 1.00 0.00 H new ATOM 0 HA THR A 70 2.287 -10.029 -1.288 1.00 0.00 H new ATOM 0 HB THR A 70 1.986 -8.251 0.693 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.784 -8.834 0.836 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.748 -10.014 2.257 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.840 -10.715 0.897 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.616 -10.819 0.929 1.00 0.00 H new ATOM 1041 N PRO A 71 0.886 -7.908 -1.916 1.00 0.00 N ATOM 1042 CA PRO A 71 0.189 -6.795 -2.591 1.00 0.00 C ATOM 1043 C PRO A 71 0.044 -5.572 -1.690 1.00 0.00 C ATOM 1044 O PRO A 71 0.180 -4.433 -2.138 1.00 0.00 O ATOM 1045 CB PRO A 71 -1.174 -7.400 -2.897 1.00 0.00 C ATOM 1046 CG PRO A 71 -1.390 -8.529 -1.900 1.00 0.00 C ATOM 1047 CD PRO A 71 -0.012 -8.969 -1.404 1.00 0.00 C ATOM 0 HA PRO A 71 0.726 -6.433 -3.468 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.959 -6.649 -2.806 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.209 -7.776 -3.920 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.009 -8.193 -1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.913 -9.362 -2.370 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.022 -9.036 -0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.261 -9.950 -1.792 1.00 0.00 H new ATOM 1055 N ARG A 72 -0.230 -5.824 -0.413 1.00 0.00 N ATOM 1056 CA ARG A 72 -0.391 -4.741 0.554 1.00 0.00 C ATOM 1057 C ARG A 72 0.875 -3.886 0.629 1.00 0.00 C ATOM 1058 O ARG A 72 0.825 -2.720 1.019 1.00 0.00 O ATOM 1059 CB ARG A 72 -0.694 -5.303 1.944 1.00 0.00 C ATOM 1060 CG ARG A 72 -1.252 -4.190 2.834 1.00 0.00 C ATOM 1061 CD ARG A 72 -2.774 -4.134 2.687 1.00 0.00 C ATOM 1062 NE ARG A 72 -3.361 -3.297 3.731 1.00 0.00 N ATOM 1063 CZ ARG A 72 -4.461 -3.676 4.377 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -5.583 -3.820 3.725 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -4.418 -3.905 5.661 1.00 0.00 N ATOM 0 H ARG A 72 -0.345 -6.761 -0.025 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.224 -4.122 0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.413 -6.119 1.869 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.212 -5.717 2.386 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.983 -4.372 3.874 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.813 -3.232 2.555 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.036 -3.738 1.706 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.188 -5.141 2.745 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.921 -2.408 3.968 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.616 -3.642 2.721 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.427 -4.110 4.219 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.541 -3.793 6.170 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.261 -4.195 6.156 1.00 0.00 H new ATOM 1079 N GLU A 73 2.010 -4.474 0.251 1.00 0.00 N ATOM 1080 CA GLU A 73 3.275 -3.748 0.281 1.00 0.00 C ATOM 1081 C GLU A 73 3.333 -2.735 -0.857 1.00 0.00 C ATOM 1082 O GLU A 73 3.857 -1.634 -0.699 1.00 0.00 O ATOM 1083 CB GLU A 73 4.453 -4.715 0.149 1.00 0.00 C ATOM 1084 CG GLU A 73 5.743 -4.012 0.577 1.00 0.00 C ATOM 1085 CD GLU A 73 6.735 -5.045 1.100 1.00 0.00 C ATOM 1086 OE1 GLU A 73 7.449 -5.615 0.290 1.00 0.00 O ATOM 1087 OE2 GLU A 73 6.768 -5.252 2.302 1.00 0.00 O ATOM 0 H GLU A 73 2.078 -5.438 -0.075 1.00 0.00 H new ATOM 0 HA GLU A 73 3.341 -3.227 1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.284 -5.596 0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.540 -5.061 -0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.174 -3.473 -0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.528 -3.274 1.350 1.00 0.00 H new ATOM 1094 N LEU A 74 2.786 -3.122 -2.010 1.00 0.00 N ATOM 1095 CA LEU A 74 2.776 -2.240 -3.177 1.00 0.00 C ATOM 1096 C LEU A 74 2.013 -0.955 -2.866 1.00 0.00 C ATOM 1097 O LEU A 74 2.474 0.149 -3.160 1.00 0.00 O ATOM 1098 CB LEU A 74 2.115 -2.942 -4.370 1.00 0.00 C ATOM 1099 CG LEU A 74 2.834 -2.548 -5.662 1.00 0.00 C ATOM 1100 CD1 LEU A 74 4.150 -3.322 -5.772 1.00 0.00 C ATOM 1101 CD2 LEU A 74 1.945 -2.885 -6.861 1.00 0.00 C ATOM 0 H LEU A 74 2.348 -4.031 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 74 3.808 -1.996 -3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.154 -4.023 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.062 -2.666 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 74 3.042 -1.478 -5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.662 -3.041 -6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.784 -3.085 -4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.943 -4.392 -5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.455 -2.605 -7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.738 -3.955 -6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.007 -2.335 -6.784 1.00 0.00 H new ATOM 1113 N LEU A 75 0.839 -1.117 -2.260 1.00 0.00 N ATOM 1114 CA LEU A 75 0.008 0.029 -1.894 1.00 0.00 C ATOM 1115 C LEU A 75 0.757 0.913 -0.901 1.00 0.00 C ATOM 1116 O LEU A 75 0.838 2.121 -1.071 1.00 0.00 O ATOM 1117 CB LEU A 75 -1.310 -0.459 -1.270 1.00 0.00 C ATOM 1118 CG LEU A 75 -2.196 0.724 -0.849 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -3.148 1.090 -1.986 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -3.012 0.323 0.381 1.00 0.00 C ATOM 0 H LEU A 75 0.443 -2.024 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.216 0.609 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.846 -1.082 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.096 -1.083 -0.403 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.567 1.583 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.773 1.929 -1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.571 1.369 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.780 0.234 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.644 1.157 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.638 -0.536 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.337 0.062 1.196 1.00 0.00 H new ATOM 1132 N ASP A 76 1.302 0.294 0.136 1.00 0.00 N ATOM 1133 CA ASP A 76 2.047 1.043 1.146 1.00 0.00 C ATOM 1134 C ASP A 76 3.356 1.602 0.575 1.00 0.00 C ATOM 1135 O ASP A 76 4.005 2.439 1.202 1.00 0.00 O ATOM 1136 CB ASP A 76 2.369 0.145 2.342 1.00 0.00 C ATOM 1137 CG ASP A 76 1.127 -0.007 3.213 1.00 0.00 C ATOM 1138 OD1 ASP A 76 0.604 1.007 3.645 1.00 0.00 O ATOM 1139 OD2 ASP A 76 0.718 -1.134 3.437 1.00 0.00 O ATOM 0 H ASP A 76 1.246 -0.711 0.302 1.00 0.00 H new ATOM 0 HA ASP A 76 1.419 1.875 1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.705 -0.832 1.996 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.184 0.575 2.924 1.00 0.00 H new ATOM 1144 N LEU A 77 3.744 1.134 -0.615 1.00 0.00 N ATOM 1145 CA LEU A 77 4.980 1.599 -1.240 1.00 0.00 C ATOM 1146 C LEU A 77 4.785 2.970 -1.883 1.00 0.00 C ATOM 1147 O LEU A 77 5.375 3.960 -1.450 1.00 0.00 O ATOM 1148 CB LEU A 77 5.436 0.610 -2.323 1.00 0.00 C ATOM 1149 CG LEU A 77 6.967 0.606 -2.442 1.00 0.00 C ATOM 1150 CD1 LEU A 77 7.478 2.012 -2.775 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.587 0.135 -1.124 1.00 0.00 C ATOM 0 H LEU A 77 3.226 0.442 -1.157 1.00 0.00 H new ATOM 0 HA LEU A 77 5.737 1.671 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.082 -0.392 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.992 0.881 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 77 7.254 -0.075 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.565 1.994 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.049 2.341 -3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.185 2.703 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.673 0.134 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.289 0.809 -0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.240 -0.873 -0.899 1.00 0.00 H new ATOM 1163 N ILE A 78 3.962 3.016 -2.927 1.00 0.00 N ATOM 1164 CA ILE A 78 3.709 4.275 -3.629 1.00 0.00 C ATOM 1165 C ILE A 78 2.992 5.261 -2.710 1.00 0.00 C ATOM 1166 O ILE A 78 3.286 6.455 -2.698 1.00 0.00 O ATOM 1167 CB ILE A 78 2.850 4.026 -4.874 1.00 0.00 C ATOM 1168 CG1 ILE A 78 3.529 2.981 -5.764 1.00 0.00 C ATOM 1169 CG2 ILE A 78 2.688 5.330 -5.662 1.00 0.00 C ATOM 1170 CD1 ILE A 78 2.465 2.126 -6.452 1.00 0.00 C ATOM 0 H ILE A 78 3.464 2.209 -3.303 1.00 0.00 H new ATOM 0 HA ILE A 78 4.668 4.697 -3.930 1.00 0.00 H new ATOM 0 HB ILE A 78 1.869 3.664 -4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.153 3.474 -6.510 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.186 2.350 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.077 5.147 -6.546 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.203 6.077 -5.034 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.669 5.694 -5.968 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.949 1.383 -7.085 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.860 1.622 -5.698 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.826 2.763 -7.064 1.00 0.00 H new ATOM 1182 N ASN A 79 2.042 4.736 -1.951 1.00 0.00 N ATOM 1183 CA ASN A 79 1.259 5.552 -1.024 1.00 0.00 C ATOM 1184 C ASN A 79 2.161 6.248 -0.006 1.00 0.00 C ATOM 1185 O ASN A 79 2.070 7.458 0.197 1.00 0.00 O ATOM 1186 CB ASN A 79 0.255 4.669 -0.280 1.00 0.00 C ATOM 1187 CG ASN A 79 -0.746 5.535 0.469 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -0.399 6.598 0.980 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -1.984 5.134 0.563 1.00 0.00 N ATOM 0 H ASN A 79 1.791 3.747 -1.956 1.00 0.00 H new ATOM 0 HA ASN A 79 0.734 6.311 -1.604 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.267 4.024 -0.986 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.779 4.018 0.419 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.668 5.703 1.062 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.268 4.251 0.138 1.00 0.00 H new ATOM 1196 N GLY A 80 3.025 5.468 0.638 1.00 0.00 N ATOM 1197 CA GLY A 80 3.933 6.020 1.642 1.00 0.00 C ATOM 1198 C GLY A 80 4.869 7.058 1.031 1.00 0.00 C ATOM 1199 O GLY A 80 5.229 8.043 1.673 1.00 0.00 O ATOM 0 H GLY A 80 3.116 4.464 0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.356 6.476 2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.519 5.216 2.087 1.00 0.00 H new ATOM 1203 N ALA A 81 5.263 6.822 -0.217 1.00 0.00 N ATOM 1204 CA ALA A 81 6.163 7.742 -0.906 1.00 0.00 C ATOM 1205 C ALA A 81 5.484 9.089 -1.138 1.00 0.00 C ATOM 1206 O ALA A 81 6.131 10.137 -1.125 1.00 0.00 O ATOM 1207 CB ALA A 81 6.591 7.159 -2.254 1.00 0.00 C ATOM 0 H ALA A 81 4.978 6.012 -0.767 1.00 0.00 H new ATOM 0 HA ALA A 81 7.041 7.887 -0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.262 7.857 -2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.106 6.212 -2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.710 6.993 -2.875 1.00 0.00 H new ATOM 1213 N LEU A 82 4.172 9.050 -1.353 1.00 0.00 N ATOM 1214 CA LEU A 82 3.411 10.274 -1.591 1.00 0.00 C ATOM 1215 C LEU A 82 3.366 11.127 -0.324 1.00 0.00 C ATOM 1216 O LEU A 82 3.317 12.356 -0.387 1.00 0.00 O ATOM 1217 CB LEU A 82 1.980 9.937 -2.030 1.00 0.00 C ATOM 1218 CG LEU A 82 1.570 10.839 -3.198 1.00 0.00 C ATOM 1219 CD1 LEU A 82 0.581 10.092 -4.096 1.00 0.00 C ATOM 1220 CD2 LEU A 82 0.909 12.109 -2.656 1.00 0.00 C ATOM 0 H LEU A 82 3.618 8.194 -1.368 1.00 0.00 H new ATOM 0 HA LEU A 82 3.906 10.835 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.918 8.890 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.292 10.072 -1.195 1.00 0.00 H new ATOM 0 HG LEU A 82 2.454 11.109 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.289 10.733 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.052 9.188 -4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.303 9.822 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.617 12.751 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.025 11.841 -2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.613 12.641 -2.017 1.00 0.00 H new ATOM 1232 N ALA A 83 3.386 10.461 0.827 1.00 0.00 N ATOM 1233 CA ALA A 83 3.349 11.166 2.107 1.00 0.00 C ATOM 1234 C ALA A 83 4.568 12.072 2.250 1.00 0.00 C ATOM 1235 O ALA A 83 4.496 13.146 2.847 1.00 0.00 O ATOM 1236 CB ALA A 83 3.332 10.166 3.265 1.00 0.00 C ATOM 0 H ALA A 83 3.427 9.445 0.901 1.00 0.00 H new ATOM 0 HA ALA A 83 2.442 11.770 2.135 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.304 10.706 4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.450 9.530 3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.229 9.548 3.226 1.00 0.00 H new ATOM 1242 N GLU A 84 5.689 11.626 1.690 1.00 0.00 N ATOM 1243 CA GLU A 84 6.925 12.402 1.756 1.00 0.00 C ATOM 1244 C GLU A 84 7.287 12.940 0.372 1.00 0.00 C ATOM 1245 O GLU A 84 8.433 12.851 -0.071 1.00 0.00 O ATOM 1246 CB GLU A 84 8.073 11.533 2.279 1.00 0.00 C ATOM 1247 CG GLU A 84 8.038 11.505 3.808 1.00 0.00 C ATOM 1248 CD GLU A 84 8.804 12.704 4.357 1.00 0.00 C ATOM 1249 OE1 GLU A 84 10.010 12.739 4.186 1.00 0.00 O ATOM 1250 OE2 GLU A 84 8.171 13.569 4.940 1.00 0.00 O ATOM 0 H GLU A 84 5.768 10.740 1.190 1.00 0.00 H new ATOM 0 HA GLU A 84 6.768 13.238 2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.986 10.521 1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.028 11.928 1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.006 11.527 4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.480 10.579 4.175 1.00 0.00 H new ATOM 1257 N ALA A 85 6.290 13.501 -0.307 1.00 0.00 N ATOM 1258 CA ALA A 85 6.505 14.052 -1.642 1.00 0.00 C ATOM 1259 C ALA A 85 6.755 15.558 -1.564 1.00 0.00 C ATOM 1260 O ALA A 85 6.197 16.341 -2.336 1.00 0.00 O ATOM 1261 CB ALA A 85 5.287 13.786 -2.530 1.00 0.00 C ATOM 0 H ALA A 85 5.335 13.586 0.040 1.00 0.00 H new ATOM 0 HA ALA A 85 7.379 13.565 -2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.462 14.203 -3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.124 12.711 -2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.407 14.254 -2.090 1.00 0.00 H new ATOM 1267 N ALA A 86 7.606 15.955 -0.621 1.00 0.00 N ATOM 1268 CA ALA A 86 7.933 17.369 -0.444 1.00 0.00 C ATOM 1269 C ALA A 86 6.679 18.172 -0.109 1.00 0.00 C ATOM 1270 O ALA A 86 6.729 19.386 -0.218 1.00 0.00 O ATOM 1271 CB ALA A 86 8.564 17.939 -1.716 1.00 0.00 C ATOM 1272 OXT ALA A 86 5.687 17.560 0.252 1.00 0.00 O ATOM 0 H ALA A 86 8.078 15.325 0.027 1.00 0.00 H new ATOM 0 HA ALA A 86 8.644 17.446 0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 86 8.800 18.992 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 86 9.478 17.391 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.864 17.840 -2.545 1.00 0.00 H new