USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 SER OG : rot 77:sc= 1.47 USER MOD Set 1.2: A 48 THR OG1 : rot -21:sc= 0.297 USER MOD Single : A 3 THR OG1 : rot -17:sc= 0.385 USER MOD Single : A 6 THR OG1 : rot -74:sc= 0.963 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 27 SER OG : rot 180:sc= 0.063 USER MOD Single : A 40 TYR OH : rot -157:sc= -1.34! USER MOD Single : A 42 SER OG : rot 180:sc= 0.0497 USER MOD Single : A 46 MET CE :methyl -136:sc= -3.4! (180deg=-4.81!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -138:sc= 0.817 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.12 X(o=-1.1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 14.196 -8.062 -1.385 1.00 1.52 N ATOM 31 CA THR A 3 13.099 -8.889 -1.778 1.00 1.28 C ATOM 32 C THR A 3 11.834 -8.027 -1.924 1.00 1.04 C ATOM 33 O THR A 3 11.266 -7.542 -0.925 1.00 1.23 O ATOM 34 CB THR A 3 12.915 -9.983 -0.706 1.00 1.66 C ATOM 35 OG1 THR A 3 13.016 -9.390 0.611 1.00 2.10 O ATOM 36 CG2 THR A 3 13.974 -11.069 -0.854 1.00 2.36 C ATOM 0 HA THR A 3 13.291 -9.362 -2.741 1.00 1.28 H new ATOM 0 HB THR A 3 11.932 -10.435 -0.837 1.00 1.66 H new ATOM 0 HG1 THR A 3 13.443 -8.511 0.542 1.00 2.10 H new ATOM 0 HG21 THR A 3 13.825 -11.830 -0.088 1.00 2.36 H new ATOM 0 HG22 THR A 3 13.891 -11.526 -1.840 1.00 2.36 H new ATOM 0 HG23 THR A 3 14.965 -10.629 -0.740 1.00 2.36 H new ATOM 44 N LEU A 4 11.435 -7.790 -3.164 1.00 0.77 N ATOM 45 CA LEU A 4 10.285 -6.961 -3.452 1.00 0.59 C ATOM 46 C LEU A 4 9.015 -7.565 -2.879 1.00 0.58 C ATOM 47 O LEU A 4 8.837 -8.794 -2.877 1.00 0.79 O ATOM 48 CB LEU A 4 10.142 -6.705 -4.957 1.00 0.63 C ATOM 49 CG LEU A 4 11.307 -5.958 -5.629 1.00 0.70 C ATOM 50 CD1 LEU A 4 11.063 -5.820 -7.120 1.00 0.86 C ATOM 51 CD2 LEU A 4 11.517 -4.587 -4.999 1.00 0.64 C ATOM 0 H LEU A 4 11.899 -8.166 -3.991 1.00 0.77 H new ATOM 0 HA LEU A 4 10.446 -5.998 -2.967 1.00 0.59 H new ATOM 0 HB2 LEU A 4 10.015 -7.665 -5.458 1.00 0.63 H new ATOM 0 HB3 LEU A 4 9.228 -6.135 -5.123 1.00 0.63 H new ATOM 0 HG LEU A 4 12.213 -6.545 -5.475 1.00 0.70 H new ATOM 0 HD11 LEU A 4 11.898 -5.289 -7.578 1.00 0.86 H new ATOM 0 HD12 LEU A 4 10.974 -6.810 -7.567 1.00 0.86 H new ATOM 0 HD13 LEU A 4 10.142 -5.262 -7.288 1.00 0.86 H new ATOM 0 HD21 LEU A 4 12.347 -4.082 -5.494 1.00 0.64 H new ATOM 0 HD22 LEU A 4 10.611 -3.992 -5.112 1.00 0.64 H new ATOM 0 HD23 LEU A 4 11.744 -4.704 -3.939 1.00 0.64 H new ATOM 63 N LEU A 5 8.163 -6.713 -2.365 1.00 0.53 N ATOM 64 CA LEU A 5 6.928 -7.141 -1.770 1.00 0.58 C ATOM 65 C LEU A 5 5.998 -7.654 -2.843 1.00 0.47 C ATOM 66 O LEU A 5 6.044 -7.206 -3.994 1.00 0.54 O ATOM 67 CB LEU A 5 6.234 -6.018 -0.962 1.00 0.85 C ATOM 68 CG LEU A 5 5.530 -4.885 -1.743 1.00 0.59 C ATOM 69 CD1 LEU A 5 4.667 -4.076 -0.809 1.00 0.85 C ATOM 70 CD2 LEU A 5 6.519 -3.962 -2.447 1.00 1.27 C ATOM 0 H LEU A 5 8.309 -5.704 -2.349 1.00 0.53 H new ATOM 0 HA LEU A 5 7.166 -7.939 -1.067 1.00 0.58 H new ATOM 0 HB2 LEU A 5 5.494 -6.484 -0.312 1.00 0.85 H new ATOM 0 HB3 LEU A 5 6.983 -5.561 -0.315 1.00 0.85 H new ATOM 0 HG LEU A 5 4.916 -5.358 -2.510 1.00 0.59 H new ATOM 0 HD11 LEU A 5 4.174 -3.280 -1.367 1.00 0.85 H new ATOM 0 HD12 LEU A 5 3.914 -4.722 -0.358 1.00 0.85 H new ATOM 0 HD13 LEU A 5 5.288 -3.640 -0.026 1.00 0.85 H new ATOM 0 HD21 LEU A 5 5.974 -3.184 -2.981 1.00 1.27 H new ATOM 0 HD22 LEU A 5 7.177 -3.503 -1.709 1.00 1.27 H new ATOM 0 HD23 LEU A 5 7.114 -4.539 -3.155 1.00 1.27 H new ATOM 82 N THR A 6 5.201 -8.585 -2.490 1.00 0.43 N ATOM 83 CA THR A 6 4.293 -9.163 -3.402 1.00 0.48 C ATOM 84 C THR A 6 2.917 -8.530 -3.255 1.00 0.49 C ATOM 85 O THR A 6 2.724 -7.594 -2.447 1.00 0.52 O ATOM 86 CB THR A 6 4.190 -10.683 -3.172 1.00 0.58 C ATOM 87 OG1 THR A 6 3.800 -10.927 -1.807 1.00 0.64 O ATOM 88 CG2 THR A 6 5.525 -11.366 -3.448 1.00 0.76 C ATOM 0 H THR A 6 5.159 -8.974 -1.548 1.00 0.43 H new ATOM 0 HA THR A 6 4.663 -8.981 -4.411 1.00 0.48 H new ATOM 0 HB THR A 6 3.446 -11.092 -3.856 1.00 0.58 H new ATOM 0 HG1 THR A 6 4.561 -10.755 -1.214 1.00 0.64 H new ATOM 0 HG21 THR A 6 5.427 -12.438 -3.279 1.00 0.76 H new ATOM 0 HG22 THR A 6 5.818 -11.187 -4.483 1.00 0.76 H new ATOM 0 HG23 THR A 6 6.286 -10.961 -2.780 1.00 0.76 H new ATOM 96 N THR A 7 1.976 -9.052 -3.996 1.00 0.56 N ATOM 97 CA THR A 7 0.603 -8.685 -3.900 1.00 0.62 C ATOM 98 C THR A 7 0.102 -9.062 -2.515 1.00 0.64 C ATOM 99 O THR A 7 -0.623 -8.309 -1.882 1.00 0.73 O ATOM 100 CB THR A 7 -0.162 -9.454 -4.977 1.00 0.74 C ATOM 101 OG1 THR A 7 0.379 -10.789 -5.042 1.00 1.34 O ATOM 102 CG2 THR A 7 -0.018 -8.780 -6.333 1.00 1.19 C ATOM 0 H THR A 7 2.158 -9.765 -4.702 1.00 0.56 H new ATOM 0 HA THR A 7 0.461 -7.614 -4.048 1.00 0.62 H new ATOM 0 HB THR A 7 -1.222 -9.476 -4.724 1.00 0.74 H new ATOM 0 HG1 THR A 7 -0.099 -11.303 -5.727 1.00 1.34 H new ATOM 0 HG21 THR A 7 -0.571 -9.347 -7.082 1.00 1.19 H new ATOM 0 HG22 THR A 7 -0.414 -7.766 -6.279 1.00 1.19 H new ATOM 0 HG23 THR A 7 1.035 -8.743 -6.611 1.00 1.19 H new ATOM 110 N ASP A 8 0.549 -10.229 -2.052 1.00 0.65 N ATOM 111 CA ASP A 8 0.231 -10.751 -0.726 1.00 0.71 C ATOM 112 C ASP A 8 0.667 -9.779 0.356 1.00 0.65 C ATOM 113 O ASP A 8 -0.126 -9.399 1.205 1.00 0.69 O ATOM 114 CB ASP A 8 0.920 -12.105 -0.506 1.00 0.86 C ATOM 115 CG ASP A 8 0.712 -12.664 0.892 1.00 1.61 C ATOM 116 OD1 ASP A 8 -0.312 -13.333 1.141 1.00 1.74 O ATOM 117 OD2 ASP A 8 1.562 -12.417 1.775 1.00 2.44 O ATOM 0 H ASP A 8 1.151 -10.846 -2.597 1.00 0.65 H new ATOM 0 HA ASP A 8 -0.849 -10.882 -0.667 1.00 0.71 H new ATOM 0 HB2 ASP A 8 0.542 -12.820 -1.236 1.00 0.86 H new ATOM 0 HB3 ASP A 8 1.989 -11.996 -0.691 1.00 0.86 H new ATOM 122 N ASP A 9 1.924 -9.343 0.281 1.00 0.60 N ATOM 123 CA ASP A 9 2.501 -8.424 1.283 1.00 0.61 C ATOM 124 C ASP A 9 1.730 -7.123 1.344 1.00 0.56 C ATOM 125 O ASP A 9 1.449 -6.599 2.429 1.00 0.62 O ATOM 126 CB ASP A 9 3.975 -8.104 0.998 1.00 0.64 C ATOM 127 CG ASP A 9 4.881 -9.304 1.015 1.00 1.13 C ATOM 128 OD1 ASP A 9 5.108 -9.881 2.091 1.00 1.32 O ATOM 129 OD2 ASP A 9 5.384 -9.689 -0.054 1.00 2.06 O ATOM 0 H ASP A 9 2.570 -9.608 -0.462 1.00 0.60 H new ATOM 0 HA ASP A 9 2.431 -8.942 2.240 1.00 0.61 H new ATOM 0 HB2 ASP A 9 4.048 -7.621 0.024 1.00 0.64 H new ATOM 0 HB3 ASP A 9 4.329 -7.385 1.737 1.00 0.64 H new ATOM 134 N LEU A 10 1.388 -6.605 0.179 1.00 0.52 N ATOM 135 CA LEU A 10 0.636 -5.370 0.081 1.00 0.51 C ATOM 136 C LEU A 10 -0.791 -5.581 0.595 1.00 0.52 C ATOM 137 O LEU A 10 -1.329 -4.751 1.329 1.00 0.58 O ATOM 138 CB LEU A 10 0.629 -4.873 -1.371 1.00 0.50 C ATOM 139 CG LEU A 10 -0.049 -3.525 -1.629 1.00 0.51 C ATOM 140 CD1 LEU A 10 0.649 -2.415 -0.857 1.00 0.60 C ATOM 141 CD2 LEU A 10 -0.053 -3.218 -3.114 1.00 0.56 C ATOM 0 H LEU A 10 1.622 -7.026 -0.720 1.00 0.52 H new ATOM 0 HA LEU A 10 1.112 -4.610 0.700 1.00 0.51 H new ATOM 0 HB2 LEU A 10 1.662 -4.806 -1.714 1.00 0.50 H new ATOM 0 HB3 LEU A 10 0.137 -5.626 -1.987 1.00 0.50 H new ATOM 0 HG LEU A 10 -1.080 -3.584 -1.281 1.00 0.51 H new ATOM 0 HD11 LEU A 10 0.151 -1.466 -1.055 1.00 0.60 H new ATOM 0 HD12 LEU A 10 0.606 -2.632 0.210 1.00 0.60 H new ATOM 0 HD13 LEU A 10 1.690 -2.351 -1.173 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -0.538 -2.257 -3.286 1.00 0.56 H new ATOM 0 HD22 LEU A 10 0.973 -3.177 -3.480 1.00 0.56 H new ATOM 0 HD23 LEU A 10 -0.597 -3.999 -3.645 1.00 0.56 H new ATOM 153 N ARG A 11 -1.375 -6.720 0.228 1.00 0.51 N ATOM 154 CA ARG A 11 -2.722 -7.106 0.642 1.00 0.54 C ATOM 155 C ARG A 11 -2.813 -7.138 2.157 1.00 0.53 C ATOM 156 O ARG A 11 -3.757 -6.606 2.730 1.00 0.57 O ATOM 157 CB ARG A 11 -3.065 -8.484 0.075 1.00 0.60 C ATOM 158 CG ARG A 11 -4.461 -8.985 0.399 1.00 0.82 C ATOM 159 CD ARG A 11 -4.662 -10.389 -0.142 1.00 0.98 C ATOM 160 NE ARG A 11 -4.439 -10.473 -1.596 1.00 1.50 N ATOM 161 CZ ARG A 11 -3.606 -11.339 -2.194 1.00 2.13 C ATOM 162 NH1 ARG A 11 -2.870 -12.173 -1.456 1.00 2.32 N ATOM 163 NH2 ARG A 11 -3.497 -11.352 -3.529 1.00 3.08 N ATOM 0 H ARG A 11 -0.921 -7.409 -0.372 1.00 0.51 H new ATOM 0 HA ARG A 11 -3.432 -6.373 0.259 1.00 0.54 H new ATOM 0 HB2 ARG A 11 -2.949 -8.453 -1.008 1.00 0.60 H new ATOM 0 HB3 ARG A 11 -2.340 -9.206 0.452 1.00 0.60 H new ATOM 0 HG2 ARG A 11 -4.614 -8.980 1.478 1.00 0.82 H new ATOM 0 HG3 ARG A 11 -5.204 -8.313 -0.032 1.00 0.82 H new ATOM 0 HD2 ARG A 11 -3.981 -11.071 0.366 1.00 0.98 H new ATOM 0 HD3 ARG A 11 -5.675 -10.721 0.086 1.00 0.98 H new ATOM 0 HE ARG A 11 -4.955 -9.826 -2.192 1.00 1.50 H new ATOM 0 HH11 ARG A 11 -2.941 -12.152 -0.439 1.00 2.32 H new ATOM 0 HH12 ARG A 11 -2.237 -12.832 -1.909 1.00 2.32 H new ATOM 0 HH21 ARG A 11 -4.047 -10.703 -4.092 1.00 3.08 H new ATOM 0 HH22 ARG A 11 -2.864 -12.010 -3.983 1.00 3.08 H new ATOM 177 N ARG A 12 -1.805 -7.746 2.787 1.00 0.54 N ATOM 178 CA ARG A 12 -1.718 -7.847 4.244 1.00 0.59 C ATOM 179 C ARG A 12 -1.864 -6.481 4.882 1.00 0.61 C ATOM 180 O ARG A 12 -2.747 -6.269 5.701 1.00 0.66 O ATOM 181 CB ARG A 12 -0.381 -8.454 4.681 1.00 0.72 C ATOM 182 CG ARG A 12 -0.149 -9.885 4.244 1.00 0.94 C ATOM 183 CD ARG A 12 1.205 -10.364 4.720 1.00 1.09 C ATOM 184 NE ARG A 12 1.474 -11.760 4.371 1.00 1.71 N ATOM 185 CZ ARG A 12 1.763 -12.711 5.265 1.00 2.06 C ATOM 186 NH1 ARG A 12 1.650 -12.456 6.577 1.00 1.90 N ATOM 187 NH2 ARG A 12 2.121 -13.917 4.859 1.00 3.10 N ATOM 0 H ARG A 12 -1.024 -8.183 2.298 1.00 0.54 H new ATOM 0 HA ARG A 12 -2.529 -8.497 4.571 1.00 0.59 H new ATOM 0 HB2 ARG A 12 0.426 -7.836 4.288 1.00 0.72 H new ATOM 0 HB3 ARG A 12 -0.317 -8.408 5.768 1.00 0.72 H new ATOM 0 HG2 ARG A 12 -0.932 -10.527 4.647 1.00 0.94 H new ATOM 0 HG3 ARG A 12 -0.206 -9.955 3.158 1.00 0.94 H new ATOM 0 HD2 ARG A 12 1.980 -9.731 4.288 1.00 1.09 H new ATOM 0 HD3 ARG A 12 1.265 -10.248 5.802 1.00 1.09 H new ATOM 0 HE ARG A 12 1.439 -12.023 3.386 1.00 1.71 H new ATOM 0 HH11 ARG A 12 1.343 -11.536 6.893 1.00 1.90 H new ATOM 0 HH12 ARG A 12 1.871 -13.182 7.259 1.00 1.90 H new ATOM 0 HH21 ARG A 12 2.177 -14.124 3.862 1.00 3.10 H new ATOM 0 HH22 ARG A 12 2.341 -14.641 5.543 1.00 3.10 H new ATOM 201 N ALA A 13 -1.044 -5.542 4.434 1.00 0.66 N ATOM 202 CA ALA A 13 -1.022 -4.194 4.991 1.00 0.77 C ATOM 203 C ALA A 13 -2.330 -3.451 4.736 1.00 0.66 C ATOM 204 O ALA A 13 -2.785 -2.655 5.577 1.00 0.70 O ATOM 205 CB ALA A 13 0.149 -3.418 4.444 1.00 0.95 C ATOM 0 H ALA A 13 -0.377 -5.690 3.677 1.00 0.66 H new ATOM 0 HA ALA A 13 -0.909 -4.286 6.071 1.00 0.77 H new ATOM 0 HB1 ALA A 13 0.151 -2.414 4.869 1.00 0.95 H new ATOM 0 HB2 ALA A 13 1.077 -3.926 4.707 1.00 0.95 H new ATOM 0 HB3 ALA A 13 0.067 -3.352 3.359 1.00 0.95 H new ATOM 211 N LEU A 14 -2.939 -3.719 3.590 1.00 0.58 N ATOM 212 CA LEU A 14 -4.230 -3.136 3.250 1.00 0.57 C ATOM 213 C LEU A 14 -5.323 -3.677 4.166 1.00 0.56 C ATOM 214 O LEU A 14 -6.327 -3.020 4.401 1.00 0.77 O ATOM 215 CB LEU A 14 -4.582 -3.377 1.778 1.00 0.59 C ATOM 216 CG LEU A 14 -3.758 -2.598 0.745 1.00 0.69 C ATOM 217 CD1 LEU A 14 -4.093 -3.066 -0.657 1.00 1.09 C ATOM 218 CD2 LEU A 14 -4.034 -1.107 0.869 1.00 1.40 C ATOM 0 H LEU A 14 -2.558 -4.340 2.876 1.00 0.58 H new ATOM 0 HA LEU A 14 -4.159 -2.059 3.399 1.00 0.57 H new ATOM 0 HB2 LEU A 14 -4.473 -4.441 1.570 1.00 0.59 H new ATOM 0 HB3 LEU A 14 -5.634 -3.130 1.633 1.00 0.59 H new ATOM 0 HG LEU A 14 -2.701 -2.782 0.936 1.00 0.69 H new ATOM 0 HD11 LEU A 14 -3.501 -2.504 -1.379 1.00 1.09 H new ATOM 0 HD12 LEU A 14 -3.867 -4.128 -0.750 1.00 1.09 H new ATOM 0 HD13 LEU A 14 -5.153 -2.903 -0.852 1.00 1.09 H new ATOM 0 HD21 LEU A 14 -3.443 -0.565 0.131 1.00 1.40 H new ATOM 0 HD22 LEU A 14 -5.093 -0.917 0.696 1.00 1.40 H new ATOM 0 HD23 LEU A 14 -3.763 -0.769 1.869 1.00 1.40 H new ATOM 230 N VAL A 15 -5.131 -4.866 4.678 1.00 0.46 N ATOM 231 CA VAL A 15 -6.064 -5.415 5.629 1.00 0.49 C ATOM 232 C VAL A 15 -5.742 -4.866 7.025 1.00 0.52 C ATOM 233 O VAL A 15 -6.635 -4.478 7.755 1.00 0.66 O ATOM 234 CB VAL A 15 -6.064 -6.973 5.631 1.00 0.55 C ATOM 235 CG1 VAL A 15 -7.071 -7.516 6.634 1.00 0.67 C ATOM 236 CG2 VAL A 15 -6.389 -7.503 4.244 1.00 0.59 C ATOM 0 H VAL A 15 -4.341 -5.470 4.454 1.00 0.46 H new ATOM 0 HA VAL A 15 -7.068 -5.109 5.335 1.00 0.49 H new ATOM 0 HB VAL A 15 -5.068 -7.308 5.921 1.00 0.55 H new ATOM 0 HG11 VAL A 15 -7.051 -8.606 6.616 1.00 0.67 H new ATOM 0 HG12 VAL A 15 -6.814 -7.165 7.634 1.00 0.67 H new ATOM 0 HG13 VAL A 15 -8.070 -7.167 6.372 1.00 0.67 H new ATOM 0 HG21 VAL A 15 -6.385 -8.593 4.261 1.00 0.59 H new ATOM 0 HG22 VAL A 15 -7.374 -7.148 3.940 1.00 0.59 H new ATOM 0 HG23 VAL A 15 -5.641 -7.149 3.535 1.00 0.59 H new ATOM 246 N GLU A 16 -4.452 -4.775 7.351 1.00 0.48 N ATOM 247 CA GLU A 16 -3.976 -4.271 8.664 1.00 0.54 C ATOM 248 C GLU A 16 -4.438 -2.845 8.959 1.00 0.51 C ATOM 249 O GLU A 16 -4.561 -2.449 10.118 1.00 0.63 O ATOM 250 CB GLU A 16 -2.447 -4.335 8.759 1.00 0.64 C ATOM 251 CG GLU A 16 -1.897 -5.728 8.619 1.00 0.83 C ATOM 252 CD GLU A 16 -0.414 -5.767 8.756 1.00 1.12 C ATOM 253 OE1 GLU A 16 0.290 -5.377 7.797 1.00 1.94 O ATOM 254 OE2 GLU A 16 0.088 -6.182 9.806 1.00 1.14 O ATOM 0 H GLU A 16 -3.698 -5.046 6.720 1.00 0.48 H new ATOM 0 HA GLU A 16 -4.421 -4.927 9.412 1.00 0.54 H new ATOM 0 HB2 GLU A 16 -2.016 -3.702 7.983 1.00 0.64 H new ATOM 0 HB3 GLU A 16 -2.132 -3.923 9.718 1.00 0.64 H new ATOM 0 HG2 GLU A 16 -2.347 -6.371 9.375 1.00 0.83 H new ATOM 0 HG3 GLU A 16 -2.181 -6.132 7.647 1.00 0.83 H new ATOM 261 N SER A 17 -4.702 -2.096 7.924 1.00 0.49 N ATOM 262 CA SER A 17 -5.103 -0.714 8.060 1.00 0.58 C ATOM 263 C SER A 17 -6.649 -0.568 8.142 1.00 0.66 C ATOM 264 O SER A 17 -7.177 0.546 8.288 1.00 0.98 O ATOM 265 CB SER A 17 -4.525 0.087 6.898 1.00 0.62 C ATOM 266 OG SER A 17 -3.124 -0.181 6.752 1.00 1.38 O ATOM 0 H SER A 17 -4.646 -2.423 6.959 1.00 0.49 H new ATOM 0 HA SER A 17 -4.709 -0.321 8.997 1.00 0.58 H new ATOM 0 HB2 SER A 17 -5.048 -0.168 5.977 1.00 0.62 H new ATOM 0 HB3 SER A 17 -4.682 1.152 7.069 1.00 0.62 H new ATOM 0 HG SER A 17 -3.001 -1.053 6.322 1.00 1.38 H new ATOM 272 N ALA A 18 -7.368 -1.680 8.038 1.00 0.65 N ATOM 273 CA ALA A 18 -8.831 -1.639 8.070 1.00 0.88 C ATOM 274 C ALA A 18 -9.408 -2.657 9.056 1.00 0.85 C ATOM 275 O ALA A 18 -10.352 -2.360 9.814 1.00 1.04 O ATOM 276 CB ALA A 18 -9.395 -1.878 6.674 1.00 1.13 C ATOM 0 H ALA A 18 -6.970 -2.613 7.932 1.00 0.65 H new ATOM 0 HA ALA A 18 -9.125 -0.647 8.412 1.00 0.88 H new ATOM 0 HB1 ALA A 18 -10.484 -1.845 6.711 1.00 1.13 H new ATOM 0 HB2 ALA A 18 -9.031 -1.105 5.997 1.00 1.13 H new ATOM 0 HB3 ALA A 18 -9.074 -2.855 6.314 1.00 1.13 H new ATOM 282 N GLY A 19 -8.847 -3.834 9.050 1.00 0.79 N ATOM 283 CA GLY A 19 -9.311 -4.898 9.878 1.00 0.97 C ATOM 284 C GLY A 19 -10.321 -5.726 9.134 1.00 1.18 C ATOM 285 O GLY A 19 -10.391 -5.672 7.898 1.00 1.57 O ATOM 0 H GLY A 19 -8.049 -4.078 8.464 1.00 0.79 H new ATOM 0 HA2 GLY A 19 -8.472 -5.523 10.186 1.00 0.97 H new ATOM 0 HA3 GLY A 19 -9.758 -4.494 10.787 1.00 0.97 H new ATOM 289 N GLU A 20 -11.123 -6.459 9.854 1.00 1.43 N ATOM 290 CA GLU A 20 -12.158 -7.267 9.249 1.00 1.75 C ATOM 291 C GLU A 20 -13.421 -6.445 9.122 1.00 1.79 C ATOM 292 O GLU A 20 -14.345 -6.778 8.364 1.00 2.30 O ATOM 293 CB GLU A 20 -12.432 -8.564 10.048 1.00 2.40 C ATOM 294 CG GLU A 20 -12.953 -8.369 11.486 1.00 3.14 C ATOM 295 CD GLU A 20 -11.916 -7.863 12.465 1.00 3.62 C ATOM 296 OE1 GLU A 20 -11.616 -6.655 12.448 1.00 3.97 O ATOM 297 OE2 GLU A 20 -11.385 -8.657 13.272 1.00 4.15 O ATOM 0 H GLU A 20 -11.083 -6.517 10.872 1.00 1.43 H new ATOM 0 HA GLU A 20 -11.814 -7.574 8.261 1.00 1.75 H new ATOM 0 HB2 GLU A 20 -13.158 -9.161 9.497 1.00 2.40 H new ATOM 0 HB3 GLU A 20 -11.510 -9.143 10.091 1.00 2.40 H new ATOM 0 HG2 GLU A 20 -13.787 -7.668 11.465 1.00 3.14 H new ATOM 0 HG3 GLU A 20 -13.344 -9.319 11.849 1.00 3.14 H new ATOM 304 N THR A 21 -13.421 -5.369 9.842 1.00 1.91 N ATOM 305 CA THR A 21 -14.521 -4.443 9.924 1.00 2.43 C ATOM 306 C THR A 21 -14.556 -3.509 8.701 1.00 2.45 C ATOM 307 O THR A 21 -14.169 -2.340 8.774 1.00 3.06 O ATOM 308 CB THR A 21 -14.413 -3.626 11.226 1.00 3.22 C ATOM 309 OG1 THR A 21 -14.201 -4.544 12.312 1.00 3.77 O ATOM 310 CG2 THR A 21 -15.693 -2.845 11.491 1.00 3.83 C ATOM 0 H THR A 21 -12.624 -5.094 10.416 1.00 1.91 H new ATOM 0 HA THR A 21 -15.452 -5.010 9.931 1.00 2.43 H new ATOM 0 HB THR A 21 -13.589 -2.918 11.135 1.00 3.22 H new ATOM 0 HG1 THR A 21 -14.127 -4.045 13.152 1.00 3.77 H new ATOM 0 HG21 THR A 21 -15.588 -2.278 12.416 1.00 3.83 H new ATOM 0 HG22 THR A 21 -15.879 -2.160 10.664 1.00 3.83 H new ATOM 0 HG23 THR A 21 -16.529 -3.538 11.583 1.00 3.83 H new ATOM 318 N ASP A 22 -14.895 -4.097 7.575 1.00 2.17 N ATOM 319 CA ASP A 22 -15.110 -3.390 6.324 1.00 2.48 C ATOM 320 C ASP A 22 -15.673 -4.364 5.334 1.00 2.10 C ATOM 321 O ASP A 22 -16.785 -4.211 4.866 1.00 2.55 O ATOM 322 CB ASP A 22 -13.833 -2.763 5.748 1.00 3.04 C ATOM 323 CG ASP A 22 -14.141 -1.960 4.505 1.00 3.67 C ATOM 324 OD1 ASP A 22 -14.126 -2.517 3.405 1.00 3.96 O ATOM 325 OD2 ASP A 22 -14.454 -0.758 4.623 1.00 4.25 O ATOM 0 H ASP A 22 -15.033 -5.105 7.498 1.00 2.17 H new ATOM 0 HA ASP A 22 -15.795 -2.565 6.522 1.00 2.48 H new ATOM 0 HB2 ASP A 22 -13.369 -2.120 6.496 1.00 3.04 H new ATOM 0 HB3 ASP A 22 -13.113 -3.546 5.511 1.00 3.04 H new ATOM 330 N GLY A 23 -14.918 -5.403 5.061 1.00 1.96 N ATOM 331 CA GLY A 23 -15.370 -6.419 4.147 1.00 2.00 C ATOM 332 C GLY A 23 -14.591 -6.418 2.854 1.00 1.94 C ATOM 333 O GLY A 23 -15.067 -6.931 1.838 1.00 2.20 O ATOM 0 H GLY A 23 -13.992 -5.564 5.458 1.00 1.96 H new ATOM 0 HA2 GLY A 23 -15.280 -7.396 4.621 1.00 2.00 H new ATOM 0 HA3 GLY A 23 -16.427 -6.265 3.931 1.00 2.00 H new ATOM 337 N THR A 24 -13.396 -5.878 2.888 1.00 1.83 N ATOM 338 CA THR A 24 -12.572 -5.800 1.708 1.00 1.80 C ATOM 339 C THR A 24 -11.278 -6.607 1.868 1.00 1.84 C ATOM 340 O THR A 24 -10.296 -6.136 2.446 1.00 1.90 O ATOM 341 CB THR A 24 -12.236 -4.322 1.369 1.00 1.83 C ATOM 342 OG1 THR A 24 -13.455 -3.590 1.184 1.00 1.96 O ATOM 343 CG2 THR A 24 -11.405 -4.221 0.092 1.00 1.85 C ATOM 0 H THR A 24 -12.971 -5.484 3.727 1.00 1.83 H new ATOM 0 HA THR A 24 -13.142 -6.233 0.886 1.00 1.80 H new ATOM 0 HB THR A 24 -11.658 -3.907 2.195 1.00 1.83 H new ATOM 0 HG1 THR A 24 -13.855 -3.394 2.057 1.00 1.96 H new ATOM 0 HG21 THR A 24 -11.186 -3.174 -0.118 1.00 1.85 H new ATOM 0 HG22 THR A 24 -10.471 -4.768 0.221 1.00 1.85 H new ATOM 0 HG23 THR A 24 -11.964 -4.649 -0.740 1.00 1.85 H new ATOM 351 N ASP A 25 -11.323 -7.860 1.489 1.00 1.96 N ATOM 352 CA ASP A 25 -10.108 -8.634 1.393 1.00 2.09 C ATOM 353 C ASP A 25 -9.665 -8.466 -0.035 1.00 1.62 C ATOM 354 O ASP A 25 -10.505 -8.444 -0.939 1.00 1.86 O ATOM 355 CB ASP A 25 -10.326 -10.119 1.702 1.00 2.69 C ATOM 356 CG ASP A 25 -9.009 -10.873 1.885 1.00 3.10 C ATOM 357 OD1 ASP A 25 -8.414 -11.280 0.867 1.00 3.55 O ATOM 358 OD2 ASP A 25 -8.553 -11.073 3.029 1.00 3.40 O ATOM 0 H ASP A 25 -12.176 -8.362 1.244 1.00 1.96 H new ATOM 0 HA ASP A 25 -9.372 -8.291 2.120 1.00 2.09 H new ATOM 0 HB2 ASP A 25 -10.926 -10.215 2.607 1.00 2.69 H new ATOM 0 HB3 ASP A 25 -10.895 -10.577 0.892 1.00 2.69 H new ATOM 363 N LEU A 26 -8.406 -8.325 -0.264 1.00 1.28 N ATOM 364 CA LEU A 26 -7.933 -8.005 -1.597 1.00 0.95 C ATOM 365 C LEU A 26 -7.714 -9.267 -2.432 1.00 1.02 C ATOM 366 O LEU A 26 -6.610 -9.525 -2.930 1.00 1.36 O ATOM 367 CB LEU A 26 -6.666 -7.116 -1.550 1.00 1.16 C ATOM 368 CG LEU A 26 -6.803 -5.688 -0.948 1.00 0.73 C ATOM 369 CD1 LEU A 26 -7.903 -4.895 -1.634 1.00 0.86 C ATOM 370 CD2 LEU A 26 -7.000 -5.706 0.569 1.00 1.05 C ATOM 0 H LEU A 26 -7.675 -8.423 0.441 1.00 1.28 H new ATOM 0 HA LEU A 26 -8.713 -7.426 -2.092 1.00 0.95 H new ATOM 0 HB2 LEU A 26 -5.905 -7.648 -0.980 1.00 1.16 H new ATOM 0 HB3 LEU A 26 -6.290 -7.015 -2.568 1.00 1.16 H new ATOM 0 HG LEU A 26 -5.856 -5.183 -1.138 1.00 0.73 H new ATOM 0 HD11 LEU A 26 -7.969 -3.903 -1.187 1.00 0.86 H new ATOM 0 HD12 LEU A 26 -7.675 -4.800 -2.696 1.00 0.86 H new ATOM 0 HD13 LEU A 26 -8.855 -5.412 -1.512 1.00 0.86 H new ATOM 0 HD21 LEU A 26 -7.090 -4.684 0.936 1.00 1.05 H new ATOM 0 HD22 LEU A 26 -7.907 -6.260 0.812 1.00 1.05 H new ATOM 0 HD23 LEU A 26 -6.144 -6.187 1.041 1.00 1.05 H new ATOM 382 N SER A 27 -8.767 -10.030 -2.573 1.00 1.03 N ATOM 383 CA SER A 27 -8.763 -11.273 -3.282 1.00 1.23 C ATOM 384 C SER A 27 -8.928 -11.063 -4.790 1.00 1.39 C ATOM 385 O SER A 27 -9.476 -10.037 -5.238 1.00 2.16 O ATOM 386 CB SER A 27 -9.876 -12.137 -2.718 1.00 1.77 C ATOM 387 OG SER A 27 -11.079 -11.385 -2.605 1.00 2.39 O ATOM 0 H SER A 27 -9.678 -9.791 -2.183 1.00 1.03 H new ATOM 0 HA SER A 27 -7.802 -11.770 -3.148 1.00 1.23 H new ATOM 0 HB2 SER A 27 -10.038 -13.000 -3.364 1.00 1.77 H new ATOM 0 HB3 SER A 27 -9.587 -12.521 -1.740 1.00 1.77 H new ATOM 0 HG SER A 27 -11.788 -11.955 -2.242 1.00 2.39 H new ATOM 393 N GLY A 28 -8.464 -12.031 -5.557 1.00 1.32 N ATOM 394 CA GLY A 28 -8.512 -11.944 -6.989 1.00 1.62 C ATOM 395 C GLY A 28 -7.441 -11.024 -7.478 1.00 1.42 C ATOM 396 O GLY A 28 -6.246 -11.335 -7.370 1.00 1.77 O ATOM 0 H GLY A 28 -8.047 -12.891 -5.200 1.00 1.32 H new ATOM 0 HA2 GLY A 28 -8.381 -12.934 -7.427 1.00 1.62 H new ATOM 0 HA3 GLY A 28 -9.489 -11.581 -7.308 1.00 1.62 H new ATOM 400 N ASP A 29 -7.837 -9.891 -7.965 1.00 1.39 N ATOM 401 CA ASP A 29 -6.897 -8.890 -8.389 1.00 1.21 C ATOM 402 C ASP A 29 -7.311 -7.575 -7.812 1.00 0.96 C ATOM 403 O ASP A 29 -8.455 -7.140 -7.985 1.00 1.17 O ATOM 404 CB ASP A 29 -6.827 -8.767 -9.901 1.00 1.44 C ATOM 405 CG ASP A 29 -5.697 -7.861 -10.326 1.00 1.84 C ATOM 406 OD1 ASP A 29 -5.821 -6.615 -10.223 1.00 2.30 O ATOM 407 OD2 ASP A 29 -4.652 -8.394 -10.764 1.00 2.28 O ATOM 0 H ASP A 29 -8.816 -9.630 -8.082 1.00 1.39 H new ATOM 0 HA ASP A 29 -5.908 -9.185 -8.038 1.00 1.21 H new ATOM 0 HB2 ASP A 29 -6.690 -9.754 -10.342 1.00 1.44 H new ATOM 0 HB3 ASP A 29 -7.771 -8.377 -10.280 1.00 1.44 H new ATOM 412 N PHE A 30 -6.424 -6.943 -7.125 1.00 0.73 N ATOM 413 CA PHE A 30 -6.752 -5.693 -6.514 1.00 0.56 C ATOM 414 C PHE A 30 -5.948 -4.555 -7.104 1.00 0.46 C ATOM 415 O PHE A 30 -6.123 -3.431 -6.721 1.00 0.43 O ATOM 416 CB PHE A 30 -6.570 -5.765 -4.992 1.00 0.53 C ATOM 417 CG PHE A 30 -5.152 -5.990 -4.522 1.00 0.55 C ATOM 418 CD1 PHE A 30 -4.597 -7.255 -4.561 1.00 0.74 C ATOM 419 CD2 PHE A 30 -4.374 -4.938 -4.063 1.00 0.55 C ATOM 420 CE1 PHE A 30 -3.303 -7.470 -4.153 1.00 0.89 C ATOM 421 CE2 PHE A 30 -3.075 -5.148 -3.653 1.00 0.68 C ATOM 422 CZ PHE A 30 -2.560 -6.388 -3.621 1.00 0.83 C ATOM 0 H PHE A 30 -5.469 -7.265 -6.970 1.00 0.73 H new ATOM 0 HA PHE A 30 -7.803 -5.491 -6.722 1.00 0.56 H new ATOM 0 HB2 PHE A 30 -6.938 -4.837 -4.554 1.00 0.53 H new ATOM 0 HB3 PHE A 30 -7.196 -6.570 -4.605 1.00 0.53 H new ATOM 0 HD1 PHE A 30 -5.188 -8.086 -4.917 1.00 0.74 H new ATOM 0 HD2 PHE A 30 -4.791 -3.942 -4.026 1.00 0.55 H new ATOM 0 HE1 PHE A 30 -2.858 -8.451 -4.237 1.00 0.89 H new ATOM 0 HE2 PHE A 30 -2.466 -4.308 -3.355 1.00 0.68 H new ATOM 0 HZ PHE A 30 -1.584 -6.559 -3.192 1.00 0.83 H new ATOM 432 N LEU A 31 -5.112 -4.839 -8.081 1.00 0.49 N ATOM 433 CA LEU A 31 -4.231 -3.811 -8.628 1.00 0.49 C ATOM 434 C LEU A 31 -4.982 -2.956 -9.613 1.00 0.49 C ATOM 435 O LEU A 31 -4.647 -1.789 -9.826 1.00 0.58 O ATOM 436 CB LEU A 31 -2.984 -4.407 -9.320 1.00 0.59 C ATOM 437 CG LEU A 31 -2.014 -5.254 -8.475 1.00 0.86 C ATOM 438 CD1 LEU A 31 -1.570 -4.531 -7.214 1.00 1.08 C ATOM 439 CD2 LEU A 31 -2.579 -6.626 -8.170 1.00 1.85 C ATOM 0 H LEU A 31 -5.019 -5.759 -8.513 1.00 0.49 H new ATOM 0 HA LEU A 31 -3.889 -3.208 -7.787 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -3.328 -5.024 -10.150 1.00 0.59 H new ATOM 0 HB3 LEU A 31 -2.416 -3.582 -9.750 1.00 0.59 H new ATOM 0 HG LEU A 31 -1.121 -5.405 -9.081 1.00 0.86 H new ATOM 0 HD11 LEU A 31 -0.887 -5.167 -6.651 1.00 1.08 H new ATOM 0 HD12 LEU A 31 -1.063 -3.605 -7.485 1.00 1.08 H new ATOM 0 HD13 LEU A 31 -2.441 -4.301 -6.600 1.00 1.08 H new ATOM 0 HD21 LEU A 31 -1.863 -7.190 -7.572 1.00 1.85 H new ATOM 0 HD22 LEU A 31 -3.511 -6.520 -7.615 1.00 1.85 H new ATOM 0 HD23 LEU A 31 -2.770 -7.156 -9.103 1.00 1.85 H new ATOM 451 N ASP A 32 -6.005 -3.543 -10.194 1.00 0.49 N ATOM 452 CA ASP A 32 -6.821 -2.882 -11.205 1.00 0.67 C ATOM 453 C ASP A 32 -7.878 -1.953 -10.589 1.00 0.57 C ATOM 454 O ASP A 32 -8.457 -1.115 -11.282 1.00 0.74 O ATOM 455 CB ASP A 32 -7.488 -3.943 -12.107 1.00 0.94 C ATOM 456 CG ASP A 32 -8.325 -3.357 -13.230 1.00 1.76 C ATOM 457 OD1 ASP A 32 -7.751 -2.717 -14.136 1.00 2.27 O ATOM 458 OD2 ASP A 32 -9.573 -3.528 -13.220 1.00 2.55 O ATOM 0 H ASP A 32 -6.301 -4.496 -9.982 1.00 0.49 H new ATOM 0 HA ASP A 32 -6.163 -2.253 -11.804 1.00 0.67 H new ATOM 0 HB2 ASP A 32 -6.714 -4.578 -12.537 1.00 0.94 H new ATOM 0 HB3 ASP A 32 -8.120 -4.583 -11.492 1.00 0.94 H new ATOM 463 N LEU A 33 -8.101 -2.054 -9.295 1.00 0.51 N ATOM 464 CA LEU A 33 -9.148 -1.269 -8.671 1.00 0.60 C ATOM 465 C LEU A 33 -8.614 -0.060 -7.913 1.00 0.50 C ATOM 466 O LEU A 33 -7.502 -0.071 -7.403 1.00 0.60 O ATOM 467 CB LEU A 33 -10.104 -2.155 -7.815 1.00 0.85 C ATOM 468 CG LEU A 33 -9.491 -3.072 -6.728 1.00 0.69 C ATOM 469 CD1 LEU A 33 -8.981 -2.290 -5.523 1.00 1.35 C ATOM 470 CD2 LEU A 33 -10.494 -4.129 -6.296 1.00 1.12 C ATOM 0 H LEU A 33 -7.581 -2.662 -8.662 1.00 0.51 H new ATOM 0 HA LEU A 33 -9.751 -0.854 -9.479 1.00 0.60 H new ATOM 0 HB2 LEU A 33 -10.818 -1.493 -7.325 1.00 0.85 H new ATOM 0 HB3 LEU A 33 -10.671 -2.786 -8.499 1.00 0.85 H new ATOM 0 HG LEU A 33 -8.627 -3.563 -7.175 1.00 0.69 H new ATOM 0 HD11 LEU A 33 -8.562 -2.981 -4.792 1.00 1.35 H new ATOM 0 HD12 LEU A 33 -8.210 -1.589 -5.844 1.00 1.35 H new ATOM 0 HD13 LEU A 33 -9.806 -1.740 -5.071 1.00 1.35 H new ATOM 0 HD21 LEU A 33 -10.046 -4.764 -5.532 1.00 1.12 H new ATOM 0 HD22 LEU A 33 -11.382 -3.644 -5.890 1.00 1.12 H new ATOM 0 HD23 LEU A 33 -10.774 -4.738 -7.156 1.00 1.12 H new ATOM 482 N ARG A 34 -9.392 0.990 -7.897 1.00 0.50 N ATOM 483 CA ARG A 34 -9.061 2.199 -7.166 1.00 0.51 C ATOM 484 C ARG A 34 -9.394 2.025 -5.692 1.00 0.47 C ATOM 485 O ARG A 34 -10.298 1.261 -5.334 1.00 0.58 O ATOM 486 CB ARG A 34 -9.875 3.384 -7.710 1.00 0.67 C ATOM 487 CG ARG A 34 -9.477 3.880 -9.089 1.00 0.85 C ATOM 488 CD ARG A 34 -8.145 4.607 -9.052 1.00 0.93 C ATOM 489 NE ARG A 34 -7.759 5.146 -10.365 1.00 1.72 N ATOM 490 CZ ARG A 34 -7.574 6.451 -10.634 1.00 2.04 C ATOM 491 NH1 ARG A 34 -7.975 7.388 -9.767 1.00 1.66 N ATOM 492 NH2 ARG A 34 -7.053 6.813 -11.797 1.00 3.07 N ATOM 0 H ARG A 34 -10.282 1.037 -8.393 1.00 0.50 H new ATOM 0 HA ARG A 34 -7.995 2.392 -7.288 1.00 0.51 H new ATOM 0 HB2 ARG A 34 -10.926 3.097 -7.737 1.00 0.67 H new ATOM 0 HB3 ARG A 34 -9.789 4.213 -7.007 1.00 0.67 H new ATOM 0 HG2 ARG A 34 -9.414 3.037 -9.777 1.00 0.85 H new ATOM 0 HG3 ARG A 34 -10.248 4.548 -9.474 1.00 0.85 H new ATOM 0 HD2 ARG A 34 -8.200 5.422 -8.330 1.00 0.93 H new ATOM 0 HD3 ARG A 34 -7.372 3.923 -8.702 1.00 0.93 H new ATOM 0 HE ARG A 34 -7.622 4.482 -11.127 1.00 1.72 H new ATOM 0 HH11 ARG A 34 -8.425 7.115 -8.893 1.00 1.66 H new ATOM 0 HH12 ARG A 34 -7.830 8.375 -9.980 1.00 1.66 H new ATOM 0 HH21 ARG A 34 -6.794 6.104 -12.483 1.00 3.07 H new ATOM 0 HH22 ARG A 34 -6.910 7.801 -12.007 1.00 3.07 H new ATOM 506 N PHE A 35 -8.710 2.761 -4.844 1.00 0.42 N ATOM 507 CA PHE A 35 -9.018 2.757 -3.423 1.00 0.42 C ATOM 508 C PHE A 35 -10.316 3.512 -3.213 1.00 0.53 C ATOM 509 O PHE A 35 -11.057 3.263 -2.262 1.00 0.61 O ATOM 510 CB PHE A 35 -7.891 3.369 -2.601 1.00 0.41 C ATOM 511 CG PHE A 35 -6.604 2.615 -2.709 1.00 0.39 C ATOM 512 CD1 PHE A 35 -6.463 1.380 -2.106 1.00 0.43 C ATOM 513 CD2 PHE A 35 -5.535 3.138 -3.411 1.00 0.44 C ATOM 514 CE1 PHE A 35 -5.281 0.680 -2.198 1.00 0.51 C ATOM 515 CE2 PHE A 35 -4.348 2.446 -3.506 1.00 0.51 C ATOM 516 CZ PHE A 35 -4.220 1.215 -2.897 1.00 0.53 C ATOM 0 H PHE A 35 -7.937 3.371 -5.109 1.00 0.42 H new ATOM 0 HA PHE A 35 -9.127 1.728 -3.082 1.00 0.42 H new ATOM 0 HB2 PHE A 35 -7.730 4.397 -2.926 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -8.194 3.409 -1.555 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -7.291 0.958 -1.555 1.00 0.43 H new ATOM 0 HD2 PHE A 35 -5.631 4.101 -3.891 1.00 0.44 H new ATOM 0 HE1 PHE A 35 -5.185 -0.286 -1.724 1.00 0.51 H new ATOM 0 HE2 PHE A 35 -3.519 2.866 -4.056 1.00 0.51 H new ATOM 0 HZ PHE A 35 -3.290 0.671 -2.968 1.00 0.53 H new ATOM 526 N GLU A 36 -10.582 4.425 -4.145 1.00 0.64 N ATOM 527 CA GLU A 36 -11.843 5.152 -4.247 1.00 0.83 C ATOM 528 C GLU A 36 -13.003 4.152 -4.317 1.00 0.92 C ATOM 529 O GLU A 36 -14.066 4.351 -3.723 1.00 1.05 O ATOM 530 CB GLU A 36 -11.845 5.955 -5.547 1.00 1.00 C ATOM 531 CG GLU A 36 -10.745 6.986 -5.676 1.00 1.56 C ATOM 532 CD GLU A 36 -10.653 7.525 -7.084 1.00 2.05 C ATOM 533 OE1 GLU A 36 -11.482 8.368 -7.482 1.00 2.39 O ATOM 534 OE2 GLU A 36 -9.771 7.093 -7.836 1.00 2.77 O ATOM 0 H GLU A 36 -9.910 4.685 -4.867 1.00 0.64 H new ATOM 0 HA GLU A 36 -11.954 5.806 -3.382 1.00 0.83 H new ATOM 0 HB2 GLU A 36 -11.768 5.260 -6.383 1.00 1.00 H new ATOM 0 HB3 GLU A 36 -12.806 6.461 -5.640 1.00 1.00 H new ATOM 0 HG2 GLU A 36 -10.931 7.806 -4.983 1.00 1.56 H new ATOM 0 HG3 GLU A 36 -9.792 6.540 -5.393 1.00 1.56 H new ATOM 541 N ASP A 37 -12.763 3.062 -5.022 1.00 0.92 N ATOM 542 CA ASP A 37 -13.765 2.033 -5.257 1.00 1.07 C ATOM 543 C ASP A 37 -13.995 1.192 -4.016 1.00 1.02 C ATOM 544 O ASP A 37 -15.124 0.908 -3.659 1.00 1.20 O ATOM 545 CB ASP A 37 -13.356 1.147 -6.437 1.00 1.17 C ATOM 546 CG ASP A 37 -14.352 0.049 -6.720 1.00 1.39 C ATOM 547 OD1 ASP A 37 -15.417 0.330 -7.307 1.00 1.64 O ATOM 548 OD2 ASP A 37 -14.087 -1.112 -6.377 1.00 1.99 O ATOM 0 H ASP A 37 -11.860 2.862 -5.452 1.00 0.92 H new ATOM 0 HA ASP A 37 -14.704 2.530 -5.501 1.00 1.07 H new ATOM 0 HB2 ASP A 37 -13.242 1.766 -7.327 1.00 1.17 H new ATOM 0 HB3 ASP A 37 -12.382 0.703 -6.231 1.00 1.17 H new ATOM 553 N ILE A 38 -12.922 0.850 -3.323 1.00 0.85 N ATOM 554 CA ILE A 38 -13.032 0.018 -2.119 1.00 0.88 C ATOM 555 C ILE A 38 -13.265 0.836 -0.849 1.00 0.84 C ATOM 556 O ILE A 38 -13.142 0.321 0.266 1.00 0.91 O ATOM 557 CB ILE A 38 -11.832 -0.951 -1.936 1.00 0.85 C ATOM 558 CG1 ILE A 38 -10.492 -0.188 -1.895 1.00 0.66 C ATOM 559 CG2 ILE A 38 -11.836 -1.982 -3.041 1.00 0.97 C ATOM 560 CD1 ILE A 38 -9.264 -1.080 -1.759 1.00 0.68 C ATOM 0 H ILE A 38 -11.971 1.128 -3.563 1.00 0.85 H new ATOM 0 HA ILE A 38 -13.920 -0.593 -2.283 1.00 0.88 H new ATOM 0 HB ILE A 38 -11.941 -1.459 -0.978 1.00 0.85 H new ATOM 0 HG12 ILE A 38 -10.397 0.404 -2.805 1.00 0.66 H new ATOM 0 HG13 ILE A 38 -10.512 0.512 -1.060 1.00 0.66 H new ATOM 0 HG21 ILE A 38 -10.993 -2.660 -2.909 1.00 0.97 H new ATOM 0 HG22 ILE A 38 -12.766 -2.549 -3.006 1.00 0.97 H new ATOM 0 HG23 ILE A 38 -11.752 -1.482 -4.006 1.00 0.97 H new ATOM 0 HD11 ILE A 38 -8.366 -0.462 -1.738 1.00 0.68 H new ATOM 0 HD12 ILE A 38 -9.331 -1.654 -0.835 1.00 0.68 H new ATOM 0 HD13 ILE A 38 -9.215 -1.763 -2.607 1.00 0.68 H new ATOM 572 N GLY A 39 -13.674 2.082 -1.044 1.00 0.81 N ATOM 573 CA GLY A 39 -13.979 3.000 0.055 1.00 0.82 C ATOM 574 C GLY A 39 -12.824 3.162 1.020 1.00 0.71 C ATOM 575 O GLY A 39 -13.015 3.166 2.236 1.00 0.82 O ATOM 0 H GLY A 39 -13.805 2.490 -1.970 1.00 0.81 H new ATOM 0 HA2 GLY A 39 -14.244 3.975 -0.355 1.00 0.82 H new ATOM 0 HA3 GLY A 39 -14.851 2.634 0.597 1.00 0.82 H new ATOM 579 N TYR A 40 -11.642 3.300 0.481 1.00 0.56 N ATOM 580 CA TYR A 40 -10.457 3.364 1.282 1.00 0.48 C ATOM 581 C TYR A 40 -9.908 4.785 1.267 1.00 0.43 C ATOM 582 O TYR A 40 -9.862 5.426 0.208 1.00 0.50 O ATOM 583 CB TYR A 40 -9.429 2.393 0.710 1.00 0.51 C ATOM 584 CG TYR A 40 -8.663 1.643 1.754 1.00 0.52 C ATOM 585 CD1 TYR A 40 -7.486 2.169 2.261 1.00 0.60 C ATOM 586 CD2 TYR A 40 -9.095 0.421 2.227 1.00 0.67 C ATOM 587 CE1 TYR A 40 -6.757 1.493 3.206 1.00 0.79 C ATOM 588 CE2 TYR A 40 -8.374 -0.263 3.179 1.00 0.83 C ATOM 589 CZ TYR A 40 -7.291 0.242 3.702 1.00 0.88 C ATOM 590 OH TYR A 40 -6.480 -0.414 4.592 1.00 1.13 O ATOM 0 H TYR A 40 -11.478 3.371 -0.523 1.00 0.56 H new ATOM 0 HA TYR A 40 -10.683 3.090 2.312 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -9.938 1.679 0.062 1.00 0.51 H new ATOM 0 HB3 TYR A 40 -8.728 2.946 0.085 1.00 0.51 H new ATOM 0 HD1 TYR A 40 -7.137 3.127 1.906 1.00 0.60 H new ATOM 0 HD2 TYR A 40 -10.011 -0.004 1.845 1.00 0.67 H new ATOM 0 HE1 TYR A 40 -5.816 1.881 3.568 1.00 0.79 H new ATOM 0 HE2 TYR A 40 -8.712 -1.238 3.500 1.00 0.83 H new ATOM 0 HH TYR A 40 -6.710 -1.367 4.603 1.00 1.13 H new ATOM 600 N ASP A 41 -9.524 5.283 2.423 1.00 0.49 N ATOM 601 CA ASP A 41 -8.976 6.631 2.534 1.00 0.54 C ATOM 602 C ASP A 41 -7.499 6.667 2.299 1.00 0.52 C ATOM 603 O ASP A 41 -6.785 5.710 2.602 1.00 0.88 O ATOM 604 CB ASP A 41 -9.244 7.278 3.903 1.00 0.71 C ATOM 605 CG ASP A 41 -10.630 7.824 4.070 1.00 1.05 C ATOM 606 OD1 ASP A 41 -10.954 8.846 3.422 1.00 1.48 O ATOM 607 OD2 ASP A 41 -11.397 7.293 4.895 1.00 1.35 O ATOM 0 H ASP A 41 -9.579 4.777 3.307 1.00 0.49 H new ATOM 0 HA ASP A 41 -9.492 7.196 1.758 1.00 0.54 H new ATOM 0 HB2 ASP A 41 -9.062 6.538 4.683 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -8.528 8.085 4.056 1.00 0.71 H new ATOM 612 N SER A 42 -7.038 7.801 1.819 1.00 0.39 N ATOM 613 CA SER A 42 -5.628 8.071 1.620 1.00 0.48 C ATOM 614 C SER A 42 -4.909 8.063 2.974 1.00 0.42 C ATOM 615 O SER A 42 -3.751 7.663 3.087 1.00 0.43 O ATOM 616 CB SER A 42 -5.506 9.416 0.945 1.00 0.71 C ATOM 617 OG SER A 42 -6.410 10.360 1.612 1.00 0.98 O ATOM 0 H SER A 42 -7.643 8.577 1.550 1.00 0.39 H new ATOM 0 HA SER A 42 -5.166 7.308 0.994 1.00 0.48 H new ATOM 0 HB2 SER A 42 -4.478 9.774 0.999 1.00 0.71 H new ATOM 0 HB3 SER A 42 -5.759 9.333 -0.112 1.00 0.71 H new ATOM 0 HG SER A 42 -6.339 11.239 1.184 1.00 0.98 H new ATOM 622 N LEU A 43 -5.652 8.473 3.998 1.00 0.46 N ATOM 623 CA LEU A 43 -5.202 8.467 5.387 1.00 0.52 C ATOM 624 C LEU A 43 -4.762 7.058 5.775 1.00 0.45 C ATOM 625 O LEU A 43 -3.690 6.854 6.355 1.00 0.53 O ATOM 626 CB LEU A 43 -6.369 8.871 6.297 1.00 0.66 C ATOM 627 CG LEU A 43 -7.047 10.208 6.006 1.00 0.83 C ATOM 628 CD1 LEU A 43 -8.257 10.382 6.901 1.00 1.02 C ATOM 629 CD2 LEU A 43 -6.080 11.355 6.213 1.00 0.97 C ATOM 0 H LEU A 43 -6.602 8.826 3.884 1.00 0.46 H new ATOM 0 HA LEU A 43 -4.372 9.164 5.497 1.00 0.52 H new ATOM 0 HB2 LEU A 43 -7.126 8.089 6.243 1.00 0.66 H new ATOM 0 HB3 LEU A 43 -6.005 8.893 7.324 1.00 0.66 H new ATOM 0 HG LEU A 43 -7.369 10.212 4.965 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -8.734 11.338 6.686 1.00 1.02 H new ATOM 0 HD12 LEU A 43 -8.965 9.574 6.717 1.00 1.02 H new ATOM 0 HD13 LEU A 43 -7.944 10.359 7.945 1.00 1.02 H new ATOM 0 HD21 LEU A 43 -6.583 12.298 6.000 1.00 0.97 H new ATOM 0 HD22 LEU A 43 -5.731 11.355 7.246 1.00 0.97 H new ATOM 0 HD23 LEU A 43 -5.229 11.239 5.542 1.00 0.97 H new ATOM 641 N ALA A 44 -5.584 6.090 5.400 1.00 0.40 N ATOM 642 CA ALA A 44 -5.351 4.708 5.727 1.00 0.39 C ATOM 643 C ALA A 44 -4.260 4.127 4.854 1.00 0.34 C ATOM 644 O ALA A 44 -3.517 3.264 5.289 1.00 0.38 O ATOM 645 CB ALA A 44 -6.635 3.912 5.607 1.00 0.43 C ATOM 0 H ALA A 44 -6.433 6.251 4.858 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.013 4.648 6.762 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -6.441 2.869 5.858 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.380 4.317 6.292 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.009 3.976 4.585 1.00 0.43 H new ATOM 651 N LEU A 45 -4.144 4.633 3.630 1.00 0.31 N ATOM 652 CA LEU A 45 -3.085 4.206 2.711 1.00 0.30 C ATOM 653 C LEU A 45 -1.727 4.549 3.287 1.00 0.29 C ATOM 654 O LEU A 45 -0.757 3.788 3.150 1.00 0.30 O ATOM 655 CB LEU A 45 -3.256 4.865 1.348 1.00 0.32 C ATOM 656 CG LEU A 45 -4.536 4.523 0.612 1.00 0.33 C ATOM 657 CD1 LEU A 45 -4.606 5.266 -0.711 1.00 0.34 C ATOM 658 CD2 LEU A 45 -4.614 3.031 0.393 1.00 0.36 C ATOM 0 H LEU A 45 -4.770 5.341 3.247 1.00 0.31 H new ATOM 0 HA LEU A 45 -3.155 3.126 2.583 1.00 0.30 H new ATOM 0 HB2 LEU A 45 -3.211 5.946 1.479 1.00 0.32 H new ATOM 0 HB3 LEU A 45 -2.411 4.584 0.720 1.00 0.32 H new ATOM 0 HG LEU A 45 -5.388 4.835 1.217 1.00 0.33 H new ATOM 0 HD11 LEU A 45 -5.532 5.008 -1.225 1.00 0.34 H new ATOM 0 HD12 LEU A 45 -4.581 6.340 -0.527 1.00 0.34 H new ATOM 0 HD13 LEU A 45 -3.756 4.984 -1.332 1.00 0.34 H new ATOM 0 HD21 LEU A 45 -5.535 2.789 -0.136 1.00 0.36 H new ATOM 0 HD22 LEU A 45 -3.759 2.705 -0.199 1.00 0.36 H new ATOM 0 HD23 LEU A 45 -4.604 2.521 1.356 1.00 0.36 H new ATOM 670 N MET A 46 -1.665 5.693 3.952 1.00 0.30 N ATOM 671 CA MET A 46 -0.460 6.132 4.639 1.00 0.31 C ATOM 672 C MET A 46 -0.107 5.148 5.738 1.00 0.33 C ATOM 673 O MET A 46 1.068 4.826 5.947 1.00 0.37 O ATOM 674 CB MET A 46 -0.644 7.534 5.219 1.00 0.37 C ATOM 675 CG MET A 46 -0.839 8.622 4.179 1.00 0.40 C ATOM 676 SD MET A 46 -1.334 10.198 4.916 1.00 0.54 S ATOM 677 CE MET A 46 0.039 10.541 6.005 1.00 1.67 C ATOM 0 H MET A 46 -2.448 6.342 4.030 1.00 0.30 H new ATOM 0 HA MET A 46 0.357 6.170 3.918 1.00 0.31 H new ATOM 0 HB2 MET A 46 -1.506 7.528 5.886 1.00 0.37 H new ATOM 0 HB3 MET A 46 0.227 7.780 5.826 1.00 0.37 H new ATOM 0 HG2 MET A 46 0.088 8.759 3.622 1.00 0.40 H new ATOM 0 HG3 MET A 46 -1.597 8.305 3.463 1.00 0.40 H new ATOM 0 HE1 MET A 46 -0.338 10.889 6.967 1.00 1.67 H new ATOM 0 HE2 MET A 46 0.623 9.633 6.151 1.00 1.67 H new ATOM 0 HE3 MET A 46 0.671 11.311 5.563 1.00 1.67 H new ATOM 687 N GLU A 47 -1.129 4.631 6.402 1.00 0.36 N ATOM 688 CA GLU A 47 -0.939 3.667 7.463 1.00 0.42 C ATOM 689 C GLU A 47 -0.532 2.314 6.873 1.00 0.43 C ATOM 690 O GLU A 47 0.298 1.621 7.438 1.00 0.52 O ATOM 691 CB GLU A 47 -2.194 3.547 8.329 1.00 0.45 C ATOM 692 CG GLU A 47 -2.010 2.663 9.549 1.00 0.62 C ATOM 693 CD GLU A 47 -3.216 2.638 10.441 1.00 1.07 C ATOM 694 OE1 GLU A 47 -3.464 3.631 11.160 1.00 1.29 O ATOM 695 OE2 GLU A 47 -3.965 1.633 10.403 1.00 1.97 O ATOM 0 H GLU A 47 -2.104 4.868 6.219 1.00 0.36 H new ATOM 0 HA GLU A 47 -0.134 4.014 8.111 1.00 0.42 H new ATOM 0 HB2 GLU A 47 -2.497 4.542 8.655 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.007 3.149 7.722 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -1.784 1.647 9.224 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -1.150 3.014 10.119 1.00 0.62 H new ATOM 702 N THR A 48 -1.109 1.971 5.721 1.00 0.39 N ATOM 703 CA THR A 48 -0.743 0.770 4.970 1.00 0.44 C ATOM 704 C THR A 48 0.762 0.781 4.700 1.00 0.45 C ATOM 705 O THR A 48 1.476 -0.193 5.000 1.00 0.56 O ATOM 706 CB THR A 48 -1.507 0.748 3.629 1.00 0.44 C ATOM 707 OG1 THR A 48 -2.912 0.744 3.886 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.135 -0.469 2.793 1.00 0.53 C ATOM 0 H THR A 48 -1.847 2.521 5.281 1.00 0.39 H new ATOM 0 HA THR A 48 -1.003 -0.116 5.549 1.00 0.44 H new ATOM 0 HB THR A 48 -1.231 1.638 3.064 1.00 0.44 H new ATOM 0 HG1 THR A 48 -3.077 0.420 4.796 1.00 0.49 H new ATOM 0 HG21 THR A 48 -1.692 -0.451 1.856 1.00 0.53 H new ATOM 0 HG22 THR A 48 -0.066 -0.451 2.580 1.00 0.53 H new ATOM 0 HG23 THR A 48 -1.380 -1.377 3.344 1.00 0.53 H new ATOM 716 N ALA A 49 1.231 1.891 4.146 1.00 0.37 N ATOM 717 CA ALA A 49 2.634 2.091 3.882 1.00 0.38 C ATOM 718 C ALA A 49 3.432 1.969 5.178 1.00 0.43 C ATOM 719 O ALA A 49 4.419 1.250 5.232 1.00 0.45 O ATOM 720 CB ALA A 49 2.847 3.457 3.252 1.00 0.36 C ATOM 0 H ALA A 49 0.641 2.675 3.869 1.00 0.37 H new ATOM 0 HA ALA A 49 2.983 1.326 3.188 1.00 0.38 H new ATOM 0 HB1 ALA A 49 3.909 3.605 3.054 1.00 0.36 H new ATOM 0 HB2 ALA A 49 2.291 3.517 2.316 1.00 0.36 H new ATOM 0 HB3 ALA A 49 2.494 4.231 3.933 1.00 0.36 H new ATOM 726 N ALA A 50 2.936 2.622 6.230 1.00 0.47 N ATOM 727 CA ALA A 50 3.569 2.630 7.550 1.00 0.57 C ATOM 728 C ALA A 50 3.727 1.220 8.132 1.00 0.62 C ATOM 729 O ALA A 50 4.710 0.933 8.825 1.00 0.68 O ATOM 730 CB ALA A 50 2.774 3.505 8.503 1.00 0.65 C ATOM 0 H ALA A 50 2.074 3.166 6.189 1.00 0.47 H new ATOM 0 HA ALA A 50 4.571 3.040 7.426 1.00 0.57 H new ATOM 0 HB1 ALA A 50 3.253 3.505 9.482 1.00 0.65 H new ATOM 0 HB2 ALA A 50 2.738 4.524 8.117 1.00 0.65 H new ATOM 0 HB3 ALA A 50 1.760 3.115 8.595 1.00 0.65 H new ATOM 736 N ARG A 51 2.749 0.354 7.866 1.00 0.65 N ATOM 737 CA ARG A 51 2.795 -1.038 8.316 1.00 0.76 C ATOM 738 C ARG A 51 4.000 -1.719 7.694 1.00 0.64 C ATOM 739 O ARG A 51 4.876 -2.255 8.383 1.00 0.62 O ATOM 740 CB ARG A 51 1.524 -1.810 7.893 1.00 0.95 C ATOM 741 CG ARG A 51 0.210 -1.251 8.410 1.00 1.23 C ATOM 742 CD ARG A 51 0.173 -1.201 9.918 1.00 0.90 C ATOM 743 NE ARG A 51 -1.097 -0.661 10.422 1.00 1.76 N ATOM 744 CZ ARG A 51 -1.480 -0.696 11.706 1.00 2.17 C ATOM 745 NH1 ARG A 51 -0.641 -1.145 12.643 1.00 2.08 N ATOM 746 NH2 ARG A 51 -2.665 -0.210 12.057 1.00 3.21 N ATOM 0 H ARG A 51 1.910 0.594 7.338 1.00 0.65 H new ATOM 0 HA ARG A 51 2.860 -1.041 9.404 1.00 0.76 H new ATOM 0 HB2 ARG A 51 1.483 -1.836 6.804 1.00 0.95 H new ATOM 0 HB3 ARG A 51 1.618 -2.841 8.233 1.00 0.95 H new ATOM 0 HG2 ARG A 51 0.060 -0.248 8.010 1.00 1.23 H new ATOM 0 HG3 ARG A 51 -0.614 -1.866 8.047 1.00 1.23 H new ATOM 0 HD2 ARG A 51 0.324 -2.204 10.317 1.00 0.90 H new ATOM 0 HD3 ARG A 51 0.997 -0.586 10.280 1.00 0.90 H new ATOM 0 HE ARG A 51 -1.731 -0.230 9.749 1.00 1.76 H new ATOM 0 HH11 ARG A 51 0.293 -1.462 12.382 1.00 2.08 H new ATOM 0 HH12 ARG A 51 -0.934 -1.171 13.620 1.00 2.08 H new ATOM 0 HH21 ARG A 51 -3.282 0.189 11.350 1.00 3.21 H new ATOM 0 HH22 ARG A 51 -2.958 -0.236 13.034 1.00 3.21 H new ATOM 760 N LEU A 52 4.053 -1.661 6.388 1.00 0.60 N ATOM 761 CA LEU A 52 5.128 -2.273 5.632 1.00 0.55 C ATOM 762 C LEU A 52 6.499 -1.625 5.874 1.00 0.46 C ATOM 763 O LEU A 52 7.526 -2.307 5.737 1.00 0.45 O ATOM 764 CB LEU A 52 4.774 -2.352 4.151 1.00 0.61 C ATOM 765 CG LEU A 52 3.586 -3.268 3.835 1.00 0.76 C ATOM 766 CD1 LEU A 52 3.219 -3.208 2.374 1.00 0.87 C ATOM 767 CD2 LEU A 52 3.888 -4.704 4.248 1.00 0.93 C ATOM 0 H LEU A 52 3.354 -1.189 5.814 1.00 0.60 H new ATOM 0 HA LEU A 52 5.232 -3.291 6.007 1.00 0.55 H new ATOM 0 HB2 LEU A 52 4.551 -1.349 3.789 1.00 0.61 H new ATOM 0 HB3 LEU A 52 5.646 -2.703 3.599 1.00 0.61 H new ATOM 0 HG LEU A 52 2.732 -2.911 4.411 1.00 0.76 H new ATOM 0 HD11 LEU A 52 2.373 -3.869 2.184 1.00 0.87 H new ATOM 0 HD12 LEU A 52 2.948 -2.186 2.109 1.00 0.87 H new ATOM 0 HD13 LEU A 52 4.070 -3.526 1.772 1.00 0.87 H new ATOM 0 HD21 LEU A 52 3.032 -5.337 4.015 1.00 0.93 H new ATOM 0 HD22 LEU A 52 4.763 -5.062 3.705 1.00 0.93 H new ATOM 0 HD23 LEU A 52 4.085 -4.741 5.319 1.00 0.93 H new ATOM 779 N GLU A 53 6.521 -0.336 6.257 1.00 0.45 N ATOM 780 CA GLU A 53 7.779 0.353 6.578 1.00 0.44 C ATOM 781 C GLU A 53 8.541 -0.377 7.656 1.00 0.46 C ATOM 782 O GLU A 53 9.658 -0.839 7.428 1.00 0.50 O ATOM 783 CB GLU A 53 7.577 1.793 7.034 1.00 0.52 C ATOM 784 CG GLU A 53 7.047 2.736 5.994 1.00 0.44 C ATOM 785 CD GLU A 53 7.136 4.154 6.459 1.00 0.45 C ATOM 786 OE1 GLU A 53 6.210 4.609 7.150 1.00 0.57 O ATOM 787 OE2 GLU A 53 8.093 4.865 6.108 1.00 0.45 O ATOM 0 H GLU A 53 5.687 0.244 6.351 1.00 0.45 H new ATOM 0 HA GLU A 53 8.345 0.362 5.647 1.00 0.44 H new ATOM 0 HB2 GLU A 53 6.892 1.794 7.882 1.00 0.52 H new ATOM 0 HB3 GLU A 53 8.531 2.178 7.395 1.00 0.52 H new ATOM 0 HG2 GLU A 53 7.611 2.617 5.069 1.00 0.44 H new ATOM 0 HG3 GLU A 53 6.010 2.488 5.769 1.00 0.44 H new ATOM 794 N SER A 54 7.901 -0.523 8.803 1.00 0.49 N ATOM 795 CA SER A 54 8.485 -1.169 9.966 1.00 0.56 C ATOM 796 C SER A 54 8.783 -2.648 9.693 1.00 0.55 C ATOM 797 O SER A 54 9.644 -3.255 10.326 1.00 0.67 O ATOM 798 CB SER A 54 7.507 -1.042 11.129 1.00 0.67 C ATOM 799 OG SER A 54 7.115 0.315 11.303 1.00 1.36 O ATOM 0 H SER A 54 6.948 -0.192 8.955 1.00 0.49 H new ATOM 0 HA SER A 54 9.430 -0.683 10.206 1.00 0.56 H new ATOM 0 HB2 SER A 54 6.628 -1.660 10.943 1.00 0.67 H new ATOM 0 HB3 SER A 54 7.970 -1.413 12.043 1.00 0.67 H new ATOM 0 HG SER A 54 6.486 0.380 12.052 1.00 1.36 H new ATOM 805 N ARG A 55 8.080 -3.206 8.744 1.00 0.52 N ATOM 806 CA ARG A 55 8.203 -4.602 8.432 1.00 0.57 C ATOM 807 C ARG A 55 9.400 -4.891 7.515 1.00 0.54 C ATOM 808 O ARG A 55 10.074 -5.910 7.679 1.00 0.65 O ATOM 809 CB ARG A 55 6.882 -5.112 7.846 1.00 0.67 C ATOM 810 CG ARG A 55 6.862 -6.576 7.458 1.00 0.77 C ATOM 811 CD ARG A 55 5.442 -7.031 7.167 1.00 0.96 C ATOM 812 NE ARG A 55 4.614 -7.009 8.380 1.00 1.60 N ATOM 813 CZ ARG A 55 3.319 -6.672 8.443 1.00 2.10 C ATOM 814 NH1 ARG A 55 2.659 -6.332 7.340 1.00 1.89 N ATOM 815 NH2 ARG A 55 2.684 -6.675 9.613 1.00 3.10 N ATOM 0 H ARG A 55 7.406 -2.704 8.166 1.00 0.52 H new ATOM 0 HA ARG A 55 8.406 -5.148 9.354 1.00 0.57 H new ATOM 0 HB2 ARG A 55 6.090 -4.936 8.574 1.00 0.67 H new ATOM 0 HB3 ARG A 55 6.642 -4.517 6.965 1.00 0.67 H new ATOM 0 HG2 ARG A 55 7.488 -6.734 6.580 1.00 0.77 H new ATOM 0 HG3 ARG A 55 7.285 -7.177 8.263 1.00 0.77 H new ATOM 0 HD2 ARG A 55 4.999 -6.384 6.410 1.00 0.96 H new ATOM 0 HD3 ARG A 55 5.459 -8.040 6.754 1.00 0.96 H new ATOM 0 HE ARG A 55 5.067 -7.275 9.255 1.00 1.60 H new ATOM 0 HH11 ARG A 55 3.139 -6.327 6.440 1.00 1.89 H new ATOM 0 HH12 ARG A 55 1.673 -6.076 7.394 1.00 1.89 H new ATOM 0 HH21 ARG A 55 3.184 -6.934 10.464 1.00 3.10 H new ATOM 0 HH22 ARG A 55 1.698 -6.418 9.659 1.00 3.10 H new ATOM 829 N TYR A 56 9.683 -4.003 6.574 1.00 0.50 N ATOM 830 CA TYR A 56 10.784 -4.235 5.633 1.00 0.57 C ATOM 831 C TYR A 56 11.934 -3.252 5.785 1.00 0.59 C ATOM 832 O TYR A 56 12.887 -3.267 4.988 1.00 0.73 O ATOM 833 CB TYR A 56 10.270 -4.305 4.190 1.00 0.65 C ATOM 834 CG TYR A 56 9.412 -5.520 3.968 1.00 0.72 C ATOM 835 CD1 TYR A 56 9.988 -6.774 3.989 1.00 0.89 C ATOM 836 CD2 TYR A 56 8.036 -5.427 3.801 1.00 0.76 C ATOM 837 CE1 TYR A 56 9.235 -7.904 3.841 1.00 1.03 C ATOM 838 CE2 TYR A 56 7.262 -6.568 3.661 1.00 0.91 C ATOM 839 CZ TYR A 56 7.878 -7.806 3.680 1.00 1.03 C ATOM 840 OH TYR A 56 7.133 -8.960 3.584 1.00 1.21 O ATOM 0 H TYR A 56 9.179 -3.127 6.437 1.00 0.50 H new ATOM 0 HA TYR A 56 11.206 -5.207 5.889 1.00 0.57 H new ATOM 0 HB2 TYR A 56 9.696 -3.407 3.963 1.00 0.65 H new ATOM 0 HB3 TYR A 56 11.115 -4.325 3.502 1.00 0.65 H new ATOM 0 HD1 TYR A 56 11.056 -6.864 4.125 1.00 0.89 H new ATOM 0 HD2 TYR A 56 7.565 -4.456 3.780 1.00 0.76 H new ATOM 0 HE1 TYR A 56 9.709 -8.874 3.851 1.00 1.03 H new ATOM 0 HE2 TYR A 56 6.192 -6.491 3.539 1.00 0.91 H new ATOM 0 HH TYR A 56 6.457 -8.856 2.882 1.00 1.21 H new ATOM 850 N GLY A 57 11.856 -2.425 6.809 1.00 0.52 N ATOM 851 CA GLY A 57 12.911 -1.481 7.104 1.00 0.56 C ATOM 852 C GLY A 57 13.057 -0.441 6.029 1.00 0.54 C ATOM 853 O GLY A 57 14.168 -0.132 5.601 1.00 0.68 O ATOM 0 H GLY A 57 11.066 -2.390 7.454 1.00 0.52 H new ATOM 0 HA2 GLY A 57 12.703 -0.991 8.055 1.00 0.56 H new ATOM 0 HA3 GLY A 57 13.853 -2.016 7.220 1.00 0.56 H new ATOM 857 N VAL A 58 11.948 0.101 5.593 1.00 0.47 N ATOM 858 CA VAL A 58 11.953 1.077 4.520 1.00 0.44 C ATOM 859 C VAL A 58 11.508 2.443 5.011 1.00 0.42 C ATOM 860 O VAL A 58 11.145 2.600 6.175 1.00 0.44 O ATOM 861 CB VAL A 58 11.113 0.641 3.278 1.00 0.46 C ATOM 862 CG1 VAL A 58 11.673 -0.624 2.673 1.00 0.55 C ATOM 863 CG2 VAL A 58 9.653 0.438 3.636 1.00 0.43 C ATOM 0 H VAL A 58 11.023 -0.115 5.964 1.00 0.47 H new ATOM 0 HA VAL A 58 12.989 1.142 4.188 1.00 0.44 H new ATOM 0 HB VAL A 58 11.175 1.445 2.545 1.00 0.46 H new ATOM 0 HG11 VAL A 58 11.073 -0.911 1.809 1.00 0.55 H new ATOM 0 HG12 VAL A 58 12.703 -0.452 2.359 1.00 0.55 H new ATOM 0 HG13 VAL A 58 11.648 -1.424 3.413 1.00 0.55 H new ATOM 0 HG21 VAL A 58 9.099 0.135 2.747 1.00 0.43 H new ATOM 0 HG22 VAL A 58 9.570 -0.337 4.397 1.00 0.43 H new ATOM 0 HG23 VAL A 58 9.240 1.370 4.021 1.00 0.43 H new ATOM 873 N SER A 59 11.551 3.418 4.148 1.00 0.43 N ATOM 874 CA SER A 59 11.115 4.737 4.461 1.00 0.48 C ATOM 875 C SER A 59 10.224 5.219 3.343 1.00 0.43 C ATOM 876 O SER A 59 10.679 5.481 2.215 1.00 0.49 O ATOM 877 CB SER A 59 12.311 5.666 4.655 1.00 0.65 C ATOM 878 OG SER A 59 13.179 5.158 5.666 1.00 1.28 O ATOM 0 H SER A 59 11.896 3.311 3.194 1.00 0.43 H new ATOM 0 HA SER A 59 10.555 4.735 5.396 1.00 0.48 H new ATOM 0 HB2 SER A 59 12.856 5.767 3.717 1.00 0.65 H new ATOM 0 HB3 SER A 59 11.964 6.662 4.932 1.00 0.65 H new ATOM 0 HG SER A 59 13.941 5.764 5.777 1.00 1.28 H new ATOM 884 N ILE A 60 8.968 5.263 3.629 1.00 0.39 N ATOM 885 CA ILE A 60 7.985 5.658 2.686 1.00 0.38 C ATOM 886 C ILE A 60 7.479 7.034 3.042 1.00 0.41 C ATOM 887 O ILE A 60 6.977 7.250 4.162 1.00 0.45 O ATOM 888 CB ILE A 60 6.811 4.655 2.666 1.00 0.37 C ATOM 889 CG1 ILE A 60 7.315 3.266 2.239 1.00 0.45 C ATOM 890 CG2 ILE A 60 5.699 5.145 1.745 1.00 0.38 C ATOM 891 CD1 ILE A 60 6.270 2.177 2.303 1.00 0.82 C ATOM 0 H ILE A 60 8.590 5.020 4.545 1.00 0.39 H new ATOM 0 HA ILE A 60 8.435 5.676 1.693 1.00 0.38 H new ATOM 0 HB ILE A 60 6.396 4.577 3.671 1.00 0.37 H new ATOM 0 HG12 ILE A 60 7.695 3.328 1.219 1.00 0.45 H new ATOM 0 HG13 ILE A 60 8.154 2.986 2.876 1.00 0.45 H new ATOM 0 HG21 ILE A 60 4.882 4.424 1.746 1.00 0.38 H new ATOM 0 HG22 ILE A 60 5.332 6.109 2.098 1.00 0.38 H new ATOM 0 HG23 ILE A 60 6.087 5.253 0.732 1.00 0.38 H new ATOM 0 HD11 ILE A 60 6.710 1.232 1.986 1.00 0.82 H new ATOM 0 HD12 ILE A 60 5.905 2.082 3.326 1.00 0.82 H new ATOM 0 HD13 ILE A 60 5.440 2.430 1.644 1.00 0.82 H new ATOM 903 N PRO A 61 7.645 7.997 2.129 1.00 0.48 N ATOM 904 CA PRO A 61 7.130 9.330 2.316 1.00 0.55 C ATOM 905 C PRO A 61 5.607 9.285 2.400 1.00 0.49 C ATOM 906 O PRO A 61 4.921 8.839 1.466 1.00 0.43 O ATOM 907 CB PRO A 61 7.596 10.094 1.073 1.00 0.66 C ATOM 908 CG PRO A 61 8.680 9.262 0.483 1.00 0.70 C ATOM 909 CD PRO A 61 8.359 7.852 0.847 1.00 0.58 C ATOM 0 HA PRO A 61 7.479 9.802 3.234 1.00 0.55 H new ATOM 0 HB2 PRO A 61 6.778 10.232 0.366 1.00 0.66 H new ATOM 0 HB3 PRO A 61 7.961 11.087 1.336 1.00 0.66 H new ATOM 0 HG2 PRO A 61 8.722 9.386 -0.599 1.00 0.70 H new ATOM 0 HG3 PRO A 61 9.654 9.554 0.875 1.00 0.70 H new ATOM 0 HD2 PRO A 61 7.738 7.371 0.091 1.00 0.58 H new ATOM 0 HD3 PRO A 61 9.259 7.247 0.952 1.00 0.58 H new ATOM 917 N ASP A 62 5.105 9.723 3.520 1.00 0.57 N ATOM 918 CA ASP A 62 3.688 9.665 3.870 1.00 0.56 C ATOM 919 C ASP A 62 2.785 10.355 2.849 1.00 0.48 C ATOM 920 O ASP A 62 1.701 9.862 2.555 1.00 0.46 O ATOM 921 CB ASP A 62 3.466 10.231 5.288 1.00 0.71 C ATOM 922 CG ASP A 62 3.869 11.690 5.451 1.00 1.23 C ATOM 923 OD1 ASP A 62 5.013 12.048 5.107 1.00 1.52 O ATOM 924 OD2 ASP A 62 3.059 12.492 5.942 1.00 1.98 O ATOM 0 H ASP A 62 5.679 10.147 4.249 1.00 0.57 H new ATOM 0 HA ASP A 62 3.400 8.614 3.856 1.00 0.56 H new ATOM 0 HB2 ASP A 62 2.413 10.126 5.547 1.00 0.71 H new ATOM 0 HB3 ASP A 62 4.031 9.629 5.999 1.00 0.71 H new ATOM 929 N ASP A 63 3.268 11.440 2.264 1.00 0.52 N ATOM 930 CA ASP A 63 2.501 12.215 1.272 1.00 0.56 C ATOM 931 C ASP A 63 2.149 11.375 0.038 1.00 0.50 C ATOM 932 O ASP A 63 1.067 11.510 -0.533 1.00 0.60 O ATOM 933 CB ASP A 63 3.300 13.444 0.841 1.00 0.71 C ATOM 934 CG ASP A 63 2.574 14.325 -0.162 1.00 1.56 C ATOM 935 OD1 ASP A 63 2.683 14.082 -1.380 1.00 2.20 O ATOM 936 OD2 ASP A 63 1.924 15.314 0.259 1.00 2.31 O ATOM 0 H ASP A 63 4.197 11.816 2.455 1.00 0.52 H new ATOM 0 HA ASP A 63 1.569 12.523 1.746 1.00 0.56 H new ATOM 0 HB2 ASP A 63 3.542 14.037 1.723 1.00 0.71 H new ATOM 0 HB3 ASP A 63 4.245 13.118 0.407 1.00 0.71 H new ATOM 941 N VAL A 64 3.039 10.460 -0.323 1.00 0.46 N ATOM 942 CA VAL A 64 2.870 9.642 -1.526 1.00 0.48 C ATOM 943 C VAL A 64 1.676 8.719 -1.373 1.00 0.42 C ATOM 944 O VAL A 64 0.934 8.469 -2.320 1.00 0.46 O ATOM 945 CB VAL A 64 4.089 8.757 -1.788 1.00 0.54 C ATOM 946 CG1 VAL A 64 3.978 8.103 -3.167 1.00 0.64 C ATOM 947 CG2 VAL A 64 5.370 9.542 -1.684 1.00 0.63 C ATOM 0 H VAL A 64 3.891 10.262 0.201 1.00 0.46 H new ATOM 0 HA VAL A 64 2.731 10.336 -2.355 1.00 0.48 H new ATOM 0 HB VAL A 64 4.111 7.980 -1.024 1.00 0.54 H new ATOM 0 HG11 VAL A 64 4.851 7.475 -3.343 1.00 0.64 H new ATOM 0 HG12 VAL A 64 3.077 7.491 -3.208 1.00 0.64 H new ATOM 0 HG13 VAL A 64 3.927 8.876 -3.933 1.00 0.64 H new ATOM 0 HG21 VAL A 64 6.217 8.883 -1.876 1.00 0.63 H new ATOM 0 HG22 VAL A 64 5.364 10.348 -2.418 1.00 0.63 H new ATOM 0 HG23 VAL A 64 5.458 9.964 -0.683 1.00 0.63 H new ATOM 957 N ALA A 65 1.466 8.251 -0.166 1.00 0.45 N ATOM 958 CA ALA A 65 0.393 7.325 0.105 1.00 0.46 C ATOM 959 C ALA A 65 -0.957 8.030 0.024 1.00 0.44 C ATOM 960 O ALA A 65 -1.986 7.401 -0.098 1.00 0.51 O ATOM 961 CB ALA A 65 0.603 6.653 1.435 1.00 0.56 C ATOM 0 H ALA A 65 2.028 8.498 0.649 1.00 0.45 H new ATOM 0 HA ALA A 65 0.395 6.546 -0.657 1.00 0.46 H new ATOM 0 HB1 ALA A 65 -0.215 5.958 1.625 1.00 0.56 H new ATOM 0 HB2 ALA A 65 1.547 6.108 1.422 1.00 0.56 H new ATOM 0 HB3 ALA A 65 0.629 7.406 2.223 1.00 0.56 H new ATOM 967 N GLY A 66 -0.928 9.343 0.052 1.00 0.48 N ATOM 968 CA GLY A 66 -2.128 10.103 -0.128 1.00 0.57 C ATOM 969 C GLY A 66 -2.318 10.467 -1.589 1.00 0.58 C ATOM 970 O GLY A 66 -3.234 11.203 -1.944 1.00 0.91 O ATOM 0 H GLY A 66 -0.085 9.899 0.198 1.00 0.48 H new ATOM 0 HA2 GLY A 66 -2.985 9.528 0.223 1.00 0.57 H new ATOM 0 HA3 GLY A 66 -2.084 11.010 0.475 1.00 0.57 H new ATOM 974 N ARG A 67 -1.424 9.969 -2.424 1.00 0.43 N ATOM 975 CA ARG A 67 -1.454 10.214 -3.853 1.00 0.48 C ATOM 976 C ARG A 67 -1.683 8.933 -4.651 1.00 0.45 C ATOM 977 O ARG A 67 -2.242 8.983 -5.738 1.00 0.63 O ATOM 978 CB ARG A 67 -0.159 10.888 -4.320 1.00 0.59 C ATOM 979 CG ARG A 67 -0.019 12.341 -3.912 1.00 1.35 C ATOM 980 CD ARG A 67 1.259 12.941 -4.476 1.00 1.46 C ATOM 981 NE ARG A 67 2.460 12.685 -3.657 1.00 2.35 N ATOM 982 CZ ARG A 67 3.574 12.088 -4.097 1.00 2.83 C ATOM 983 NH1 ARG A 67 3.538 11.304 -5.175 1.00 2.42 N ATOM 984 NH2 ARG A 67 4.712 12.218 -3.417 1.00 3.92 N ATOM 0 H ARG A 67 -0.649 9.377 -2.125 1.00 0.43 H new ATOM 0 HA ARG A 67 -2.295 10.882 -4.039 1.00 0.48 H new ATOM 0 HB2 ARG A 67 0.689 10.330 -3.923 1.00 0.59 H new ATOM 0 HB3 ARG A 67 -0.103 10.823 -5.407 1.00 0.59 H new ATOM 0 HG2 ARG A 67 -0.880 12.908 -4.268 1.00 1.35 H new ATOM 0 HG3 ARG A 67 -0.013 12.419 -2.825 1.00 1.35 H new ATOM 0 HD2 ARG A 67 1.424 12.542 -5.477 1.00 1.46 H new ATOM 0 HD3 ARG A 67 1.127 14.018 -4.580 1.00 1.46 H new ATOM 0 HE ARG A 67 2.439 12.986 -2.683 1.00 2.35 H new ATOM 0 HH11 ARG A 67 2.658 11.157 -5.669 1.00 2.42 H new ATOM 0 HH12 ARG A 67 4.390 10.852 -5.505 1.00 2.42 H new ATOM 0 HH21 ARG A 67 4.734 12.772 -2.561 1.00 3.92 H new ATOM 0 HH22 ARG A 67 5.561 11.763 -3.752 1.00 3.92 H new ATOM 998 N VAL A 68 -1.253 7.798 -4.108 1.00 0.39 N ATOM 999 CA VAL A 68 -1.364 6.495 -4.791 1.00 0.38 C ATOM 1000 C VAL A 68 -2.834 6.117 -5.093 1.00 0.43 C ATOM 1001 O VAL A 68 -3.609 5.779 -4.208 1.00 0.48 O ATOM 1002 CB VAL A 68 -0.635 5.357 -3.988 1.00 0.34 C ATOM 1003 CG1 VAL A 68 0.863 5.615 -3.950 1.00 0.37 C ATOM 1004 CG2 VAL A 68 -1.161 5.233 -2.561 1.00 0.36 C ATOM 0 H VAL A 68 -0.818 7.746 -3.187 1.00 0.39 H new ATOM 0 HA VAL A 68 -0.858 6.600 -5.751 1.00 0.38 H new ATOM 0 HB VAL A 68 -0.839 4.420 -4.506 1.00 0.34 H new ATOM 0 HG11 VAL A 68 1.355 4.819 -3.391 1.00 0.37 H new ATOM 0 HG12 VAL A 68 1.254 5.639 -4.967 1.00 0.37 H new ATOM 0 HG13 VAL A 68 1.055 6.572 -3.465 1.00 0.37 H new ATOM 0 HG21 VAL A 68 -0.628 4.434 -2.045 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.005 6.174 -2.033 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.226 5.002 -2.585 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.208 6.240 -6.350 1.00 0.51 N ATOM 1015 CA ASP A 69 -4.588 5.972 -6.778 1.00 0.65 C ATOM 1016 C ASP A 69 -4.846 4.494 -6.912 1.00 0.52 C ATOM 1017 O ASP A 69 -5.918 4.001 -6.544 1.00 0.58 O ATOM 1018 CB ASP A 69 -4.926 6.653 -8.108 1.00 0.86 C ATOM 1019 CG ASP A 69 -4.864 8.147 -8.052 1.00 1.39 C ATOM 1020 OD1 ASP A 69 -5.747 8.763 -7.425 1.00 1.44 O ATOM 1021 OD2 ASP A 69 -3.923 8.733 -8.607 1.00 2.20 O ATOM 0 H ASP A 69 -2.582 6.524 -7.104 1.00 0.51 H new ATOM 0 HA ASP A 69 -5.228 6.386 -5.999 1.00 0.65 H new ATOM 0 HB2 ASP A 69 -4.236 6.298 -8.873 1.00 0.86 H new ATOM 0 HB3 ASP A 69 -5.927 6.351 -8.417 1.00 0.86 H new ATOM 1026 N THR A 70 -3.895 3.795 -7.460 1.00 0.42 N ATOM 1027 CA THR A 70 -4.009 2.373 -7.645 1.00 0.34 C ATOM 1028 C THR A 70 -3.009 1.643 -6.749 1.00 0.30 C ATOM 1029 O THR A 70 -1.931 2.177 -6.443 1.00 0.33 O ATOM 1030 CB THR A 70 -3.773 1.975 -9.129 1.00 0.40 C ATOM 1031 OG1 THR A 70 -2.549 2.566 -9.617 1.00 0.51 O ATOM 1032 CG2 THR A 70 -4.942 2.396 -10.009 1.00 0.48 C ATOM 0 H THR A 70 -3.017 4.193 -7.792 1.00 0.42 H new ATOM 0 HA THR A 70 -5.023 2.081 -7.370 1.00 0.34 H new ATOM 0 HB THR A 70 -3.690 0.889 -9.174 1.00 0.40 H new ATOM 0 HG1 THR A 70 -2.411 2.307 -10.552 1.00 0.51 H new ATOM 0 HG21 THR A 70 -4.745 2.103 -11.040 1.00 0.48 H new ATOM 0 HG22 THR A 70 -5.853 1.909 -9.661 1.00 0.48 H new ATOM 0 HG23 THR A 70 -5.066 3.478 -9.957 1.00 0.48 H new ATOM 1040 N PRO A 71 -3.342 0.422 -6.299 1.00 0.31 N ATOM 1041 CA PRO A 71 -2.449 -0.395 -5.473 1.00 0.33 C ATOM 1042 C PRO A 71 -1.162 -0.737 -6.206 1.00 0.32 C ATOM 1043 O PRO A 71 -0.139 -0.950 -5.589 1.00 0.34 O ATOM 1044 CB PRO A 71 -3.265 -1.656 -5.199 1.00 0.38 C ATOM 1045 CG PRO A 71 -4.665 -1.211 -5.364 1.00 0.40 C ATOM 1046 CD PRO A 71 -4.631 -0.247 -6.503 1.00 0.35 C ATOM 0 HA PRO A 71 -2.138 0.122 -4.565 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -3.014 -2.455 -5.897 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -3.083 -2.041 -4.195 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -5.324 -2.052 -5.578 1.00 0.40 H new ATOM 0 HG3 PRO A 71 -5.038 -0.737 -4.456 1.00 0.40 H new ATOM 0 HD2 PRO A 71 -4.680 -0.753 -7.467 1.00 0.35 H new ATOM 0 HD3 PRO A 71 -5.465 0.454 -6.469 1.00 0.35 H new ATOM 1054 N ARG A 72 -1.221 -0.751 -7.532 1.00 0.34 N ATOM 1055 CA ARG A 72 -0.039 -0.993 -8.351 1.00 0.39 C ATOM 1056 C ARG A 72 0.959 0.153 -8.156 1.00 0.32 C ATOM 1057 O ARG A 72 2.161 -0.051 -8.118 1.00 0.31 O ATOM 1058 CB ARG A 72 -0.435 -1.110 -9.824 1.00 0.52 C ATOM 1059 CG ARG A 72 0.722 -1.418 -10.767 1.00 0.93 C ATOM 1060 CD ARG A 72 0.238 -1.517 -12.199 1.00 1.15 C ATOM 1061 NE ARG A 72 -0.753 -2.586 -12.363 1.00 1.31 N ATOM 1062 CZ ARG A 72 -1.927 -2.455 -13.007 1.00 1.78 C ATOM 1063 NH1 ARG A 72 -2.268 -1.282 -13.551 1.00 2.53 N ATOM 1064 NH2 ARG A 72 -2.751 -3.497 -13.102 1.00 1.99 N ATOM 0 H ARG A 72 -2.077 -0.597 -8.065 1.00 0.34 H new ATOM 0 HA ARG A 72 0.428 -1.929 -8.045 1.00 0.39 H new ATOM 0 HB2 ARG A 72 -1.187 -1.893 -9.924 1.00 0.52 H new ATOM 0 HB3 ARG A 72 -0.903 -0.177 -10.137 1.00 0.52 H new ATOM 0 HG2 ARG A 72 1.479 -0.638 -10.688 1.00 0.93 H new ATOM 0 HG3 ARG A 72 1.197 -2.354 -10.473 1.00 0.93 H new ATOM 0 HD2 ARG A 72 -0.199 -0.566 -12.502 1.00 1.15 H new ATOM 0 HD3 ARG A 72 1.086 -1.703 -12.858 1.00 1.15 H new ATOM 0 HE ARG A 72 -0.536 -3.497 -11.959 1.00 1.31 H new ATOM 0 HH11 ARG A 72 -1.637 -0.484 -13.478 1.00 2.53 H new ATOM 0 HH12 ARG A 72 -3.159 -1.186 -14.039 1.00 2.53 H new ATOM 0 HH21 ARG A 72 -2.491 -4.392 -12.687 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -3.642 -3.400 -13.590 1.00 1.99 H new ATOM 1078 N GLU A 73 0.427 1.341 -7.965 1.00 0.31 N ATOM 1079 CA GLU A 73 1.225 2.525 -7.754 1.00 0.32 C ATOM 1080 C GLU A 73 1.743 2.551 -6.312 1.00 0.26 C ATOM 1081 O GLU A 73 2.857 3.015 -6.043 1.00 0.30 O ATOM 1082 CB GLU A 73 0.388 3.756 -8.083 1.00 0.45 C ATOM 1083 CG GLU A 73 1.091 5.078 -7.941 1.00 0.53 C ATOM 1084 CD GLU A 73 0.257 6.199 -8.476 1.00 1.09 C ATOM 1085 OE1 GLU A 73 -0.775 6.523 -7.870 1.00 1.51 O ATOM 1086 OE2 GLU A 73 0.622 6.806 -9.502 1.00 1.86 O ATOM 0 H GLU A 73 -0.579 1.511 -7.952 1.00 0.31 H new ATOM 0 HA GLU A 73 2.094 2.520 -8.412 1.00 0.32 H new ATOM 0 HB2 GLU A 73 0.028 3.665 -9.108 1.00 0.45 H new ATOM 0 HB3 GLU A 73 -0.489 3.760 -7.436 1.00 0.45 H new ATOM 0 HG2 GLU A 73 1.318 5.260 -6.891 1.00 0.53 H new ATOM 0 HG3 GLU A 73 2.043 5.045 -8.472 1.00 0.53 H new ATOM 1093 N LEU A 74 0.945 2.018 -5.396 1.00 0.25 N ATOM 1094 CA LEU A 74 1.349 1.909 -3.996 1.00 0.26 C ATOM 1095 C LEU A 74 2.494 0.874 -3.926 1.00 0.24 C ATOM 1096 O LEU A 74 3.491 1.067 -3.231 1.00 0.27 O ATOM 1097 CB LEU A 74 0.131 1.474 -3.133 1.00 0.29 C ATOM 1098 CG LEU A 74 0.120 1.865 -1.628 1.00 0.33 C ATOM 1099 CD1 LEU A 74 -1.171 1.416 -0.974 1.00 1.30 C ATOM 1100 CD2 LEU A 74 1.303 1.298 -0.866 1.00 1.14 C ATOM 0 H LEU A 74 0.013 1.654 -5.595 1.00 0.25 H new ATOM 0 HA LEU A 74 1.697 2.865 -3.605 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.767 1.889 -3.591 1.00 0.29 H new ATOM 0 HB3 LEU A 74 0.049 0.389 -3.196 1.00 0.29 H new ATOM 0 HG LEU A 74 0.197 2.952 -1.588 1.00 0.33 H new ATOM 0 HD11 LEU A 74 -1.162 1.697 0.079 1.00 1.30 H new ATOM 0 HD12 LEU A 74 -2.016 1.894 -1.470 1.00 1.30 H new ATOM 0 HD13 LEU A 74 -1.265 0.333 -1.060 1.00 1.30 H new ATOM 0 HD21 LEU A 74 1.243 1.603 0.179 1.00 1.14 H new ATOM 0 HD22 LEU A 74 1.288 0.210 -0.928 1.00 1.14 H new ATOM 0 HD23 LEU A 74 2.229 1.673 -1.301 1.00 1.14 H new ATOM 1112 N LEU A 75 2.334 -0.200 -4.698 1.00 0.22 N ATOM 1113 CA LEU A 75 3.339 -1.251 -4.849 1.00 0.24 C ATOM 1114 C LEU A 75 4.636 -0.627 -5.366 1.00 0.23 C ATOM 1115 O LEU A 75 5.696 -0.805 -4.773 1.00 0.25 O ATOM 1116 CB LEU A 75 2.823 -2.304 -5.850 1.00 0.28 C ATOM 1117 CG LEU A 75 3.694 -3.536 -6.094 1.00 0.36 C ATOM 1118 CD1 LEU A 75 3.766 -4.401 -4.850 1.00 0.42 C ATOM 1119 CD2 LEU A 75 3.165 -4.334 -7.273 1.00 0.47 C ATOM 0 H LEU A 75 1.489 -0.367 -5.245 1.00 0.22 H new ATOM 0 HA LEU A 75 3.528 -1.733 -3.890 1.00 0.24 H new ATOM 0 HB2 LEU A 75 1.847 -2.646 -5.505 1.00 0.28 H new ATOM 0 HB3 LEU A 75 2.667 -1.808 -6.808 1.00 0.28 H new ATOM 0 HG LEU A 75 4.704 -3.200 -6.330 1.00 0.36 H new ATOM 0 HD11 LEU A 75 4.391 -5.272 -5.048 1.00 0.42 H new ATOM 0 HD12 LEU A 75 4.195 -3.825 -4.030 1.00 0.42 H new ATOM 0 HD13 LEU A 75 2.763 -4.729 -4.576 1.00 0.42 H new ATOM 0 HD21 LEU A 75 3.796 -5.208 -7.433 1.00 0.47 H new ATOM 0 HD22 LEU A 75 2.145 -4.657 -7.066 1.00 0.47 H new ATOM 0 HD23 LEU A 75 3.174 -3.711 -8.167 1.00 0.47 H new ATOM 1131 N ASP A 76 4.506 0.144 -6.452 1.00 0.24 N ATOM 1132 CA ASP A 76 5.618 0.890 -7.086 1.00 0.30 C ATOM 1133 C ASP A 76 6.397 1.719 -6.068 1.00 0.28 C ATOM 1134 O ASP A 76 7.640 1.731 -6.063 1.00 0.31 O ATOM 1135 CB ASP A 76 5.058 1.812 -8.181 1.00 0.40 C ATOM 1136 CG ASP A 76 6.086 2.756 -8.772 1.00 0.57 C ATOM 1137 OD1 ASP A 76 6.820 2.343 -9.701 1.00 0.76 O ATOM 1138 OD2 ASP A 76 6.194 3.912 -8.311 1.00 0.64 O ATOM 0 H ASP A 76 3.614 0.274 -6.929 1.00 0.24 H new ATOM 0 HA ASP A 76 6.305 0.164 -7.520 1.00 0.30 H new ATOM 0 HB2 ASP A 76 4.640 1.199 -8.980 1.00 0.40 H new ATOM 0 HB3 ASP A 76 4.238 2.397 -7.765 1.00 0.40 H new ATOM 1143 N LEU A 77 5.666 2.400 -5.212 1.00 0.27 N ATOM 1144 CA LEU A 77 6.236 3.208 -4.142 1.00 0.29 C ATOM 1145 C LEU A 77 7.111 2.363 -3.221 1.00 0.28 C ATOM 1146 O LEU A 77 8.275 2.697 -2.968 1.00 0.33 O ATOM 1147 CB LEU A 77 5.105 3.882 -3.352 1.00 0.32 C ATOM 1148 CG LEU A 77 5.458 4.492 -1.988 1.00 0.43 C ATOM 1149 CD1 LEU A 77 6.529 5.582 -2.096 1.00 0.96 C ATOM 1150 CD2 LEU A 77 4.199 5.024 -1.328 1.00 0.63 C ATOM 0 H LEU A 77 4.646 2.412 -5.235 1.00 0.27 H new ATOM 0 HA LEU A 77 6.872 3.976 -4.582 1.00 0.29 H new ATOM 0 HB2 LEU A 77 4.684 4.672 -3.975 1.00 0.32 H new ATOM 0 HB3 LEU A 77 4.317 3.145 -3.197 1.00 0.32 H new ATOM 0 HG LEU A 77 5.885 3.704 -1.367 1.00 0.43 H new ATOM 0 HD11 LEU A 77 6.743 5.981 -1.105 1.00 0.96 H new ATOM 0 HD12 LEU A 77 7.439 5.157 -2.520 1.00 0.96 H new ATOM 0 HD13 LEU A 77 6.168 6.384 -2.740 1.00 0.96 H new ATOM 0 HD21 LEU A 77 4.451 5.457 -0.360 1.00 0.63 H new ATOM 0 HD22 LEU A 77 3.751 5.789 -1.962 1.00 0.63 H new ATOM 0 HD23 LEU A 77 3.489 4.209 -1.187 1.00 0.63 H new ATOM 1162 N ILE A 78 6.579 1.254 -2.769 1.00 0.25 N ATOM 1163 CA ILE A 78 7.305 0.412 -1.848 1.00 0.28 C ATOM 1164 C ILE A 78 8.438 -0.322 -2.572 1.00 0.30 C ATOM 1165 O ILE A 78 9.458 -0.629 -1.984 1.00 0.34 O ATOM 1166 CB ILE A 78 6.375 -0.563 -1.091 1.00 0.34 C ATOM 1167 CG1 ILE A 78 5.209 0.235 -0.495 1.00 0.40 C ATOM 1168 CG2 ILE A 78 7.148 -1.278 0.029 1.00 0.40 C ATOM 1169 CD1 ILE A 78 4.195 -0.595 0.240 1.00 0.51 C ATOM 0 H ILE A 78 5.651 0.914 -3.022 1.00 0.25 H new ATOM 0 HA ILE A 78 7.751 1.056 -1.090 1.00 0.28 H new ATOM 0 HB ILE A 78 5.997 -1.317 -1.781 1.00 0.34 H new ATOM 0 HG12 ILE A 78 5.610 0.984 0.188 1.00 0.40 H new ATOM 0 HG13 ILE A 78 4.706 0.773 -1.298 1.00 0.40 H new ATOM 0 HG21 ILE A 78 6.480 -1.961 0.553 1.00 0.40 H new ATOM 0 HG22 ILE A 78 7.976 -1.840 -0.402 1.00 0.40 H new ATOM 0 HG23 ILE A 78 7.536 -0.540 0.731 1.00 0.40 H new ATOM 0 HD11 ILE A 78 3.407 0.051 0.627 1.00 0.51 H new ATOM 0 HD12 ILE A 78 3.761 -1.327 -0.441 1.00 0.51 H new ATOM 0 HD13 ILE A 78 4.680 -1.112 1.068 1.00 0.51 H new ATOM 1181 N ASN A 79 8.271 -0.544 -3.866 1.00 0.34 N ATOM 1182 CA ASN A 79 9.332 -1.119 -4.707 1.00 0.43 C ATOM 1183 C ASN A 79 10.534 -0.194 -4.707 1.00 0.46 C ATOM 1184 O ASN A 79 11.686 -0.646 -4.629 1.00 0.50 O ATOM 1185 CB ASN A 79 8.874 -1.330 -6.167 1.00 0.55 C ATOM 1186 CG ASN A 79 7.866 -2.449 -6.381 1.00 0.62 C ATOM 1187 OD1 ASN A 79 7.017 -2.362 -7.264 1.00 1.33 O ATOM 1188 ND2 ASN A 79 7.964 -3.508 -5.618 1.00 0.84 N ATOM 0 H ASN A 79 7.408 -0.336 -4.368 1.00 0.34 H new ATOM 0 HA ASN A 79 9.586 -2.092 -4.286 1.00 0.43 H new ATOM 0 HB2 ASN A 79 8.440 -0.399 -6.532 1.00 0.55 H new ATOM 0 HB3 ASN A 79 9.752 -1.534 -6.779 1.00 0.55 H new ATOM 0 HD21 ASN A 79 7.324 -4.292 -5.748 1.00 0.84 H new ATOM 0 HD22 ASN A 79 8.680 -3.550 -4.893 1.00 0.84 H new ATOM 1195 N GLY A 80 10.262 1.099 -4.794 1.00 0.47 N ATOM 1196 CA GLY A 80 11.313 2.093 -4.755 1.00 0.56 C ATOM 1197 C GLY A 80 11.943 2.163 -3.383 1.00 0.55 C ATOM 1198 O GLY A 80 13.166 2.208 -3.250 1.00 0.63 O ATOM 0 H GLY A 80 9.321 1.480 -4.892 1.00 0.47 H new ATOM 0 HA2 GLY A 80 12.074 1.851 -5.497 1.00 0.56 H new ATOM 0 HA3 GLY A 80 10.906 3.068 -5.022 1.00 0.56 H new ATOM 1202 N ALA A 81 11.096 2.130 -2.366 1.00 0.49 N ATOM 1203 CA ALA A 81 11.535 2.162 -0.977 1.00 0.53 C ATOM 1204 C ALA A 81 12.417 0.951 -0.642 1.00 0.50 C ATOM 1205 O ALA A 81 13.410 1.080 0.064 1.00 0.61 O ATOM 1206 CB ALA A 81 10.336 2.233 -0.043 1.00 0.53 C ATOM 0 H ALA A 81 10.084 2.080 -2.479 1.00 0.49 H new ATOM 0 HA ALA A 81 12.139 3.058 -0.835 1.00 0.53 H new ATOM 0 HB1 ALA A 81 10.681 2.256 0.991 1.00 0.53 H new ATOM 0 HB2 ALA A 81 9.763 3.136 -0.255 1.00 0.53 H new ATOM 0 HB3 ALA A 81 9.704 1.358 -0.195 1.00 0.53 H new ATOM 1212 N LEU A 82 12.056 -0.212 -1.168 1.00 0.42 N ATOM 1213 CA LEU A 82 12.835 -1.435 -0.967 1.00 0.44 C ATOM 1214 C LEU A 82 14.196 -1.332 -1.613 1.00 0.56 C ATOM 1215 O LEU A 82 15.182 -1.767 -1.048 1.00 0.74 O ATOM 1216 CB LEU A 82 12.086 -2.652 -1.499 1.00 0.40 C ATOM 1217 CG LEU A 82 10.838 -3.044 -0.722 1.00 0.38 C ATOM 1218 CD1 LEU A 82 10.093 -4.126 -1.446 1.00 0.45 C ATOM 1219 CD2 LEU A 82 11.210 -3.520 0.660 1.00 0.46 C ATOM 0 H LEU A 82 11.222 -0.338 -1.742 1.00 0.42 H new ATOM 0 HA LEU A 82 12.978 -1.559 0.106 1.00 0.44 H new ATOM 0 HB2 LEU A 82 11.803 -2.459 -2.534 1.00 0.40 H new ATOM 0 HB3 LEU A 82 12.769 -3.502 -1.508 1.00 0.40 H new ATOM 0 HG LEU A 82 10.196 -2.167 -0.635 1.00 0.38 H new ATOM 0 HD11 LEU A 82 9.202 -4.397 -0.879 1.00 0.45 H new ATOM 0 HD12 LEU A 82 9.800 -3.768 -2.433 1.00 0.45 H new ATOM 0 HD13 LEU A 82 10.735 -5.001 -1.553 1.00 0.45 H new ATOM 0 HD21 LEU A 82 10.307 -3.797 1.205 1.00 0.46 H new ATOM 0 HD22 LEU A 82 11.867 -4.386 0.582 1.00 0.46 H new ATOM 0 HD23 LEU A 82 11.725 -2.721 1.194 1.00 0.46 H new ATOM 1231 N ALA A 83 14.245 -0.735 -2.789 1.00 0.56 N ATOM 1232 CA ALA A 83 15.507 -0.529 -3.488 1.00 0.71 C ATOM 1233 C ALA A 83 16.403 0.404 -2.676 1.00 0.84 C ATOM 1234 O ALA A 83 17.618 0.221 -2.608 1.00 1.00 O ATOM 1235 CB ALA A 83 15.254 0.038 -4.874 1.00 0.78 C ATOM 0 H ALA A 83 13.426 -0.382 -3.284 1.00 0.56 H new ATOM 0 HA ALA A 83 16.014 -1.487 -3.600 1.00 0.71 H new ATOM 0 HB1 ALA A 83 16.205 0.187 -5.385 1.00 0.78 H new ATOM 0 HB2 ALA A 83 14.640 -0.658 -5.445 1.00 0.78 H new ATOM 0 HB3 ALA A 83 14.735 0.993 -4.787 1.00 0.78 H new ATOM 1241 N GLU A 84 15.773 1.376 -2.043 1.00 0.89 N ATOM 1242 CA GLU A 84 16.441 2.345 -1.194 1.00 1.12 C ATOM 1243 C GLU A 84 16.973 1.655 0.076 1.00 1.10 C ATOM 1244 O GLU A 84 18.084 1.945 0.552 1.00 1.37 O ATOM 1245 CB GLU A 84 15.427 3.427 -0.796 1.00 1.34 C ATOM 1246 CG GLU A 84 15.999 4.602 -0.033 1.00 1.96 C ATOM 1247 CD GLU A 84 16.854 5.482 -0.890 1.00 2.48 C ATOM 1248 OE1 GLU A 84 18.066 5.230 -1.006 1.00 3.17 O ATOM 1249 OE2 GLU A 84 16.315 6.435 -1.487 1.00 2.77 O ATOM 0 H GLU A 84 14.765 1.517 -2.106 1.00 0.89 H new ATOM 0 HA GLU A 84 17.278 2.789 -1.733 1.00 1.12 H new ATOM 0 HB2 GLU A 84 14.947 3.801 -1.700 1.00 1.34 H new ATOM 0 HB3 GLU A 84 14.648 2.966 -0.189 1.00 1.34 H new ATOM 0 HG2 GLU A 84 15.183 5.191 0.386 1.00 1.96 H new ATOM 0 HG3 GLU A 84 16.589 4.233 0.806 1.00 1.96 H new ATOM 1256 N ALA A 85 16.181 0.734 0.595 1.00 1.08 N ATOM 1257 CA ALA A 85 16.487 0.052 1.826 1.00 1.24 C ATOM 1258 C ALA A 85 17.457 -1.093 1.613 1.00 1.57 C ATOM 1259 O ALA A 85 17.078 -2.191 1.182 1.00 1.86 O ATOM 1260 CB ALA A 85 15.221 -0.446 2.489 1.00 1.36 C ATOM 0 H ALA A 85 15.303 0.441 0.166 1.00 1.08 H new ATOM 0 HA ALA A 85 16.970 0.774 2.484 1.00 1.24 H new ATOM 0 HB1 ALA A 85 15.474 -0.958 3.417 1.00 1.36 H new ATOM 0 HB2 ALA A 85 14.568 0.399 2.707 1.00 1.36 H new ATOM 0 HB3 ALA A 85 14.708 -1.138 1.821 1.00 1.36 H new