USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 613 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 165:sc= 0.696 USER MOD Set 1.2: A 40 TYR OH : rot -160:sc= -4.2! USER MOD Set 1.3: A 48 THR OG1 : rot 73:sc= 2.9 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -55:sc= 0.0633 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 46 MET CE :methyl -145:sc= -0.712 (180deg=-2.66!) 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 43:sc= 0.0208 USER MOD Single : A 70 THR OG1 : rot -170:sc= -1.84! USER MOD Single : A 79 ASN : amide:sc= -0.331 X(o=-0.33,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 -14.048 8.686 1.870 1.00 1.35 N ATOM 31 CA THR A 3 -12.712 9.229 1.875 1.00 1.15 C ATOM 32 C THR A 3 -11.758 8.210 1.216 1.00 1.02 C ATOM 33 O THR A 3 -11.523 7.120 1.729 1.00 1.25 O ATOM 34 CB THR A 3 -12.277 9.575 3.357 1.00 1.52 C ATOM 35 OG1 THR A 3 -10.941 10.104 3.416 1.00 2.18 O ATOM 36 CG2 THR A 3 -12.406 8.385 4.311 1.00 1.91 C ATOM 0 HA THR A 3 -12.674 10.155 1.302 1.00 1.15 H new ATOM 0 HB THR A 3 -12.974 10.344 3.690 1.00 1.52 H new ATOM 0 HG1 THR A 3 -10.710 10.307 4.347 1.00 2.18 H new ATOM 0 HG21 THR A 3 -12.093 8.685 5.311 1.00 1.91 H new ATOM 0 HG22 THR A 3 -13.444 8.053 4.340 1.00 1.91 H new ATOM 0 HG23 THR A 3 -11.773 7.569 3.962 1.00 1.91 H new ATOM 44 N LEU A 4 -11.318 8.528 0.015 1.00 0.80 N ATOM 45 CA LEU A 4 -10.432 7.648 -0.700 1.00 0.74 C ATOM 46 C LEU A 4 -9.010 7.800 -0.213 1.00 0.68 C ATOM 47 O LEU A 4 -8.623 8.852 0.303 1.00 0.89 O ATOM 48 CB LEU A 4 -10.491 7.860 -2.215 1.00 0.74 C ATOM 49 CG LEU A 4 -11.819 7.556 -2.908 1.00 0.89 C ATOM 50 CD1 LEU A 4 -11.679 7.780 -4.403 1.00 1.00 C ATOM 51 CD2 LEU A 4 -12.266 6.124 -2.628 1.00 1.10 C ATOM 0 H LEU A 4 -11.561 9.386 -0.480 1.00 0.80 H new ATOM 0 HA LEU A 4 -10.774 6.633 -0.497 1.00 0.74 H new ATOM 0 HB2 LEU A 4 -10.231 8.898 -2.422 1.00 0.74 H new ATOM 0 HB3 LEU A 4 -9.720 7.241 -2.674 1.00 0.74 H new ATOM 0 HG LEU A 4 -12.579 8.229 -2.512 1.00 0.89 H new ATOM 0 HD11 LEU A 4 -12.628 7.562 -4.894 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -11.403 8.817 -4.591 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -10.906 7.121 -4.799 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -13.213 5.933 -3.132 1.00 1.10 H new ATOM 0 HD22 LEU A 4 -11.512 5.429 -2.997 1.00 1.10 H new ATOM 0 HD23 LEU A 4 -12.392 5.986 -1.554 1.00 1.10 H new ATOM 63 N LEU A 5 -8.249 6.756 -0.390 1.00 0.59 N ATOM 64 CA LEU A 5 -6.870 6.725 0.002 1.00 0.61 C ATOM 65 C LEU A 5 -6.075 7.532 -0.996 1.00 0.53 C ATOM 66 O LEU A 5 -6.138 7.261 -2.210 1.00 0.53 O ATOM 67 CB LEU A 5 -6.378 5.281 0.009 1.00 0.76 C ATOM 68 CG LEU A 5 -4.950 5.059 0.475 1.00 0.75 C ATOM 69 CD1 LEU A 5 -4.804 5.458 1.925 1.00 1.16 C ATOM 70 CD2 LEU A 5 -4.557 3.615 0.274 1.00 1.48 C ATOM 0 H LEU A 5 -8.576 5.890 -0.818 1.00 0.59 H new ATOM 0 HA LEU A 5 -6.749 7.144 1.001 1.00 0.61 H new ATOM 0 HB2 LEU A 5 -7.041 4.697 0.647 1.00 0.76 H new ATOM 0 HB3 LEU A 5 -6.474 4.882 -1.001 1.00 0.76 H new ATOM 0 HG LEU A 5 -4.283 5.683 -0.119 1.00 0.75 H new ATOM 0 HD11 LEU A 5 -3.775 5.294 2.246 1.00 1.16 H new ATOM 0 HD12 LEU A 5 -5.056 6.512 2.039 1.00 1.16 H new ATOM 0 HD13 LEU A 5 -5.476 4.856 2.537 1.00 1.16 H new ATOM 0 HD21 LEU A 5 -3.531 3.467 0.611 1.00 1.48 H new ATOM 0 HD22 LEU A 5 -5.224 2.973 0.849 1.00 1.48 H new ATOM 0 HD23 LEU A 5 -4.631 3.362 -0.784 1.00 1.48 H new ATOM 82 N THR A 6 -5.363 8.501 -0.517 1.00 0.60 N ATOM 83 CA THR A 6 -4.611 9.362 -1.365 1.00 0.62 C ATOM 84 C THR A 6 -3.192 8.830 -1.580 1.00 0.56 C ATOM 85 O THR A 6 -2.845 7.742 -1.101 1.00 0.55 O ATOM 86 CB THR A 6 -4.564 10.784 -0.775 1.00 0.80 C ATOM 87 OG1 THR A 6 -4.060 10.713 0.573 1.00 0.88 O ATOM 88 CG2 THR A 6 -5.953 11.411 -0.761 1.00 0.93 C ATOM 0 H THR A 6 -5.288 8.716 0.477 1.00 0.60 H new ATOM 0 HA THR A 6 -5.108 9.396 -2.335 1.00 0.62 H new ATOM 0 HB THR A 6 -3.912 11.402 -1.393 1.00 0.80 H new ATOM 0 HG1 THR A 6 -4.025 11.614 0.957 1.00 0.88 H new ATOM 0 HG21 THR A 6 -5.895 12.415 -0.340 1.00 0.93 H new ATOM 0 HG22 THR A 6 -6.338 11.466 -1.779 1.00 0.93 H new ATOM 0 HG23 THR A 6 -6.621 10.801 -0.153 1.00 0.93 H new ATOM 96 N THR A 7 -2.387 9.605 -2.253 1.00 0.59 N ATOM 97 CA THR A 7 -1.013 9.290 -2.509 1.00 0.58 C ATOM 98 C THR A 7 -0.235 9.396 -1.193 1.00 0.47 C ATOM 99 O THR A 7 0.438 8.452 -0.758 1.00 0.45 O ATOM 100 CB THR A 7 -0.480 10.341 -3.485 1.00 0.70 C ATOM 101 OG1 THR A 7 -1.363 10.426 -4.618 1.00 1.31 O ATOM 102 CG2 THR A 7 0.915 9.992 -3.944 1.00 1.10 C ATOM 0 H THR A 7 -2.680 10.498 -2.649 1.00 0.59 H new ATOM 0 HA THR A 7 -0.907 8.286 -2.920 1.00 0.58 H new ATOM 0 HB THR A 7 -0.438 11.304 -2.976 1.00 0.70 H new ATOM 0 HG1 THR A 7 -1.026 11.099 -5.245 1.00 1.31 H new ATOM 0 HG21 THR A 7 1.271 10.754 -4.637 1.00 1.10 H new ATOM 0 HG22 THR A 7 1.581 9.945 -3.082 1.00 1.10 H new ATOM 0 HG23 THR A 7 0.902 9.024 -4.445 1.00 1.10 H new ATOM 110 N ASP A 8 -0.364 10.540 -0.566 1.00 0.52 N ATOM 111 CA ASP A 8 0.330 10.857 0.661 1.00 0.54 C ATOM 112 C ASP A 8 -0.104 9.943 1.802 1.00 0.48 C ATOM 113 O ASP A 8 0.724 9.469 2.567 1.00 0.52 O ATOM 114 CB ASP A 8 0.131 12.334 0.991 1.00 0.71 C ATOM 115 CG ASP A 8 0.654 12.755 2.336 1.00 1.19 C ATOM 116 OD1 ASP A 8 1.791 12.418 2.701 1.00 1.67 O ATOM 117 OD2 ASP A 8 -0.082 13.453 3.050 1.00 1.79 O ATOM 0 H ASP A 8 -0.966 11.292 -0.900 1.00 0.52 H new ATOM 0 HA ASP A 8 1.397 10.680 0.524 1.00 0.54 H new ATOM 0 HB2 ASP A 8 0.620 12.933 0.223 1.00 0.71 H new ATOM 0 HB3 ASP A 8 -0.934 12.562 0.943 1.00 0.71 H new ATOM 122 N ASP A 9 -1.387 9.634 1.877 1.00 0.50 N ATOM 123 CA ASP A 9 -1.861 8.720 2.921 1.00 0.59 C ATOM 124 C ASP A 9 -1.437 7.288 2.685 1.00 0.52 C ATOM 125 O ASP A 9 -1.289 6.519 3.636 1.00 0.60 O ATOM 126 CB ASP A 9 -3.353 8.846 3.223 1.00 0.80 C ATOM 127 CG ASP A 9 -3.619 9.919 4.252 1.00 1.24 C ATOM 128 OD1 ASP A 9 -3.722 11.112 3.869 1.00 1.68 O ATOM 129 OD2 ASP A 9 -3.760 9.608 5.448 1.00 2.00 O ATOM 0 H ASP A 9 -2.109 9.988 1.249 1.00 0.50 H new ATOM 0 HA ASP A 9 -1.355 9.047 3.830 1.00 0.59 H new ATOM 0 HB2 ASP A 9 -3.893 9.078 2.305 1.00 0.80 H new ATOM 0 HB3 ASP A 9 -3.734 7.891 3.584 1.00 0.80 H new ATOM 134 N LEU A 10 -1.210 6.933 1.427 1.00 0.46 N ATOM 135 CA LEU A 10 -0.664 5.625 1.105 1.00 0.48 C ATOM 136 C LEU A 10 0.786 5.582 1.561 1.00 0.45 C ATOM 137 O LEU A 10 1.232 4.613 2.182 1.00 0.51 O ATOM 138 CB LEU A 10 -0.741 5.345 -0.402 1.00 0.52 C ATOM 139 CG LEU A 10 -0.147 4.009 -0.867 1.00 0.65 C ATOM 140 CD1 LEU A 10 -0.905 2.838 -0.271 1.00 1.07 C ATOM 141 CD2 LEU A 10 -0.129 3.926 -2.379 1.00 1.19 C ATOM 0 H LEU A 10 -1.394 7.529 0.620 1.00 0.46 H new ATOM 0 HA LEU A 10 -1.249 4.861 1.616 1.00 0.48 H new ATOM 0 HB2 LEU A 10 -1.787 5.380 -0.705 1.00 0.52 H new ATOM 0 HB3 LEU A 10 -0.229 6.151 -0.928 1.00 0.52 H new ATOM 0 HG LEU A 10 0.882 3.957 -0.511 1.00 0.65 H new ATOM 0 HD11 LEU A 10 -0.463 1.904 -0.617 1.00 1.07 H new ATOM 0 HD12 LEU A 10 -0.850 2.884 0.817 1.00 1.07 H new ATOM 0 HD13 LEU A 10 -1.948 2.883 -0.583 1.00 1.07 H new ATOM 0 HD21 LEU A 10 0.296 2.970 -2.686 1.00 1.19 H new ATOM 0 HD22 LEU A 10 -1.147 4.009 -2.760 1.00 1.19 H new ATOM 0 HD23 LEU A 10 0.477 4.738 -2.781 1.00 1.19 H new ATOM 153 N ARG A 11 1.503 6.668 1.286 1.00 0.42 N ATOM 154 CA ARG A 11 2.901 6.806 1.674 1.00 0.47 C ATOM 155 C ARG A 11 3.058 6.673 3.182 1.00 0.47 C ATOM 156 O ARG A 11 4.003 6.053 3.647 1.00 0.53 O ATOM 157 CB ARG A 11 3.484 8.136 1.182 1.00 0.56 C ATOM 158 CG ARG A 11 4.938 8.369 1.585 1.00 0.83 C ATOM 159 CD ARG A 11 5.474 9.668 1.015 1.00 0.87 C ATOM 160 NE ARG A 11 4.685 10.830 1.428 1.00 0.97 N ATOM 161 CZ ARG A 11 4.771 12.052 0.882 1.00 1.40 C ATOM 162 NH1 ARG A 11 5.690 12.301 -0.042 1.00 1.87 N ATOM 163 NH2 ARG A 11 3.941 13.013 1.269 1.00 1.87 N ATOM 0 H ARG A 11 1.130 7.476 0.788 1.00 0.42 H new ATOM 0 HA ARG A 11 3.461 6.000 1.199 1.00 0.47 H new ATOM 0 HB2 ARG A 11 3.410 8.173 0.095 1.00 0.56 H new ATOM 0 HB3 ARG A 11 2.876 8.953 1.571 1.00 0.56 H new ATOM 0 HG2 ARG A 11 5.016 8.388 2.672 1.00 0.83 H new ATOM 0 HG3 ARG A 11 5.551 7.538 1.236 1.00 0.83 H new ATOM 0 HD2 ARG A 11 6.507 9.802 1.335 1.00 0.87 H new ATOM 0 HD3 ARG A 11 5.483 9.607 -0.073 1.00 0.87 H new ATOM 0 HE ARG A 11 4.019 10.700 2.189 1.00 0.97 H new ATOM 0 HH11 ARG A 11 6.330 11.563 -0.336 1.00 1.87 H new ATOM 0 HH12 ARG A 11 5.756 13.230 -0.458 1.00 1.87 H new ATOM 0 HH21 ARG A 11 3.237 12.822 1.982 1.00 1.87 H new ATOM 0 HH22 ARG A 11 4.007 13.942 0.853 1.00 1.87 H new ATOM 177 N ARG A 12 2.098 7.223 3.927 1.00 0.46 N ATOM 178 CA ARG A 12 2.084 7.144 5.399 1.00 0.52 C ATOM 179 C ARG A 12 2.157 5.701 5.900 1.00 0.55 C ATOM 180 O ARG A 12 2.728 5.433 6.964 1.00 0.65 O ATOM 181 CB ARG A 12 0.837 7.798 5.977 1.00 0.53 C ATOM 182 CG ARG A 12 0.737 9.291 5.748 1.00 1.03 C ATOM 183 CD ARG A 12 -0.522 9.839 6.375 1.00 1.16 C ATOM 184 NE ARG A 12 -0.556 9.568 7.810 1.00 1.72 N ATOM 185 CZ ARG A 12 -1.650 9.328 8.535 1.00 2.32 C ATOM 186 NH1 ARG A 12 -2.864 9.412 8.002 1.00 2.40 N ATOM 187 NH2 ARG A 12 -1.508 9.015 9.812 1.00 3.33 N ATOM 0 H ARG A 12 1.308 7.735 3.534 1.00 0.46 H new ATOM 0 HA ARG A 12 2.971 7.680 5.738 1.00 0.52 H new ATOM 0 HB2 ARG A 12 -0.041 7.319 5.544 1.00 0.53 H new ATOM 0 HB3 ARG A 12 0.808 7.607 7.050 1.00 0.53 H new ATOM 0 HG2 ARG A 12 1.608 9.789 6.173 1.00 1.03 H new ATOM 0 HG3 ARG A 12 0.739 9.502 4.679 1.00 1.03 H new ATOM 0 HD2 ARG A 12 -0.579 10.914 6.203 1.00 1.16 H new ATOM 0 HD3 ARG A 12 -1.394 9.393 5.897 1.00 1.16 H new ATOM 0 HE ARG A 12 0.337 9.562 8.302 1.00 1.72 H new ATOM 0 HH11 ARG A 12 -2.973 9.664 7.020 1.00 2.40 H new ATOM 0 HH12 ARG A 12 -3.687 9.224 8.575 1.00 2.40 H new ATOM 0 HH21 ARG A 12 -0.576 8.961 10.223 1.00 3.33 H new ATOM 0 HH22 ARG A 12 -2.330 8.827 10.386 1.00 3.33 H new ATOM 201 N ALA A 13 1.585 4.784 5.139 1.00 0.52 N ATOM 202 CA ALA A 13 1.601 3.384 5.497 1.00 0.58 C ATOM 203 C ALA A 13 2.965 2.778 5.171 1.00 0.59 C ATOM 204 O ALA A 13 3.531 2.015 5.972 1.00 0.67 O ATOM 205 CB ALA A 13 0.480 2.645 4.794 1.00 0.62 C ATOM 0 H ALA A 13 1.102 4.990 4.265 1.00 0.52 H new ATOM 0 HA ALA A 13 1.436 3.286 6.570 1.00 0.58 H new ATOM 0 HB1 ALA A 13 0.506 1.592 5.075 1.00 0.62 H new ATOM 0 HB2 ALA A 13 -0.478 3.075 5.086 1.00 0.62 H new ATOM 0 HB3 ALA A 13 0.605 2.736 3.715 1.00 0.62 H new ATOM 211 N LEU A 14 3.502 3.131 4.005 1.00 0.56 N ATOM 212 CA LEU A 14 4.833 2.706 3.605 1.00 0.63 C ATOM 213 C LEU A 14 5.904 3.206 4.575 1.00 0.73 C ATOM 214 O LEU A 14 6.870 2.511 4.837 1.00 0.95 O ATOM 215 CB LEU A 14 5.164 3.112 2.152 1.00 0.64 C ATOM 216 CG LEU A 14 4.561 2.230 1.030 1.00 0.72 C ATOM 217 CD1 LEU A 14 3.046 2.302 0.943 1.00 1.05 C ATOM 218 CD2 LEU A 14 5.210 2.525 -0.310 1.00 1.24 C ATOM 0 H LEU A 14 3.027 3.716 3.318 1.00 0.56 H new ATOM 0 HA LEU A 14 4.834 1.617 3.643 1.00 0.63 H new ATOM 0 HB2 LEU A 14 4.825 4.137 1.999 1.00 0.64 H new ATOM 0 HB3 LEU A 14 6.248 3.115 2.038 1.00 0.64 H new ATOM 0 HG LEU A 14 4.790 1.200 1.304 1.00 0.72 H new ATOM 0 HD11 LEU A 14 2.697 1.659 0.135 1.00 1.05 H new ATOM 0 HD12 LEU A 14 2.611 1.969 1.885 1.00 1.05 H new ATOM 0 HD13 LEU A 14 2.741 3.330 0.746 1.00 1.05 H new ATOM 0 HD21 LEU A 14 4.766 1.891 -1.077 1.00 1.24 H new ATOM 0 HD22 LEU A 14 5.051 3.572 -0.568 1.00 1.24 H new ATOM 0 HD23 LEU A 14 6.280 2.325 -0.248 1.00 1.24 H new ATOM 230 N VAL A 15 5.700 4.403 5.122 1.00 0.69 N ATOM 231 CA VAL A 15 6.600 4.997 6.131 1.00 0.80 C ATOM 232 C VAL A 15 6.820 4.031 7.301 1.00 0.85 C ATOM 233 O VAL A 15 7.955 3.840 7.771 1.00 1.00 O ATOM 234 CB VAL A 15 6.002 6.338 6.678 1.00 0.85 C ATOM 235 CG1 VAL A 15 6.772 6.856 7.891 1.00 0.98 C ATOM 236 CG2 VAL A 15 6.008 7.395 5.594 1.00 0.93 C ATOM 0 H VAL A 15 4.906 4.997 4.883 1.00 0.69 H new ATOM 0 HA VAL A 15 7.556 5.196 5.647 1.00 0.80 H new ATOM 0 HB VAL A 15 4.979 6.129 6.990 1.00 0.85 H new ATOM 0 HG11 VAL A 15 6.323 7.787 8.237 1.00 0.98 H new ATOM 0 HG12 VAL A 15 6.733 6.116 8.690 1.00 0.98 H new ATOM 0 HG13 VAL A 15 7.811 7.036 7.613 1.00 0.98 H new ATOM 0 HG21 VAL A 15 5.590 8.322 5.987 1.00 0.93 H new ATOM 0 HG22 VAL A 15 7.031 7.570 5.263 1.00 0.93 H new ATOM 0 HG23 VAL A 15 5.407 7.055 4.751 1.00 0.93 H new ATOM 246 N GLU A 16 5.745 3.417 7.723 1.00 0.83 N ATOM 247 CA GLU A 16 5.732 2.535 8.866 1.00 0.98 C ATOM 248 C GLU A 16 6.320 1.175 8.531 1.00 1.01 C ATOM 249 O GLU A 16 7.197 0.677 9.241 1.00 1.21 O ATOM 250 CB GLU A 16 4.296 2.367 9.328 1.00 1.12 C ATOM 251 CG GLU A 16 3.616 3.676 9.654 1.00 1.25 C ATOM 252 CD GLU A 16 4.157 4.334 10.891 1.00 1.62 C ATOM 253 OE1 GLU A 16 5.310 4.822 10.848 1.00 2.18 O ATOM 254 OE2 GLU A 16 3.475 4.349 11.928 1.00 1.93 O ATOM 0 H GLU A 16 4.835 3.517 7.274 1.00 0.83 H new ATOM 0 HA GLU A 16 6.344 2.975 9.654 1.00 0.98 H new ATOM 0 HB2 GLU A 16 3.729 1.855 8.551 1.00 1.12 H new ATOM 0 HB3 GLU A 16 4.278 1.727 10.210 1.00 1.12 H new ATOM 0 HG2 GLU A 16 3.729 4.356 8.810 1.00 1.25 H new ATOM 0 HG3 GLU A 16 2.548 3.501 9.782 1.00 1.25 H new ATOM 261 N SER A 17 5.850 0.590 7.451 1.00 0.92 N ATOM 262 CA SER A 17 6.253 -0.750 7.069 1.00 1.03 C ATOM 263 C SER A 17 7.707 -0.805 6.566 1.00 1.14 C ATOM 264 O SER A 17 8.403 -1.814 6.767 1.00 1.40 O ATOM 265 CB SER A 17 5.297 -1.289 6.027 1.00 0.97 C ATOM 266 OG SER A 17 3.947 -1.118 6.452 1.00 1.65 O ATOM 0 H SER A 17 5.182 1.025 6.815 1.00 0.92 H new ATOM 0 HA SER A 17 6.212 -1.379 7.958 1.00 1.03 H new ATOM 0 HB2 SER A 17 5.454 -0.774 5.079 1.00 0.97 H new ATOM 0 HB3 SER A 17 5.498 -2.346 5.852 1.00 0.97 H new ATOM 0 HG SER A 17 3.345 -1.244 5.689 1.00 1.65 H new ATOM 272 N ALA A 18 8.171 0.263 5.920 1.00 1.07 N ATOM 273 CA ALA A 18 9.556 0.318 5.462 1.00 1.24 C ATOM 274 C ALA A 18 10.477 0.437 6.658 1.00 1.33 C ATOM 275 O ALA A 18 11.555 -0.156 6.692 1.00 1.59 O ATOM 276 CB ALA A 18 9.785 1.474 4.498 1.00 1.29 C ATOM 0 H ALA A 18 7.616 1.091 5.704 1.00 1.07 H new ATOM 0 HA ALA A 18 9.775 -0.603 4.921 1.00 1.24 H new ATOM 0 HB1 ALA A 18 10.827 1.481 4.180 1.00 1.29 H new ATOM 0 HB2 ALA A 18 9.141 1.355 3.627 1.00 1.29 H new ATOM 0 HB3 ALA A 18 9.551 2.415 4.996 1.00 1.29 H new ATOM 282 N GLY A 19 10.027 1.161 7.656 1.00 1.34 N ATOM 283 CA GLY A 19 10.798 1.310 8.845 1.00 1.54 C ATOM 284 C GLY A 19 10.537 2.623 9.521 1.00 1.61 C ATOM 285 O GLY A 19 9.670 2.719 10.392 1.00 2.24 O ATOM 0 H GLY A 19 9.132 1.651 7.659 1.00 1.34 H new ATOM 0 HA2 GLY A 19 10.567 0.496 9.532 1.00 1.54 H new ATOM 0 HA3 GLY A 19 11.858 1.231 8.603 1.00 1.54 H new ATOM 289 N GLU A 20 11.254 3.630 9.107 1.00 1.53 N ATOM 290 CA GLU A 20 11.179 4.956 9.706 1.00 1.66 C ATOM 291 C GLU A 20 11.303 6.015 8.633 1.00 1.69 C ATOM 292 O GLU A 20 12.185 6.884 8.719 1.00 2.04 O ATOM 293 CB GLU A 20 12.313 5.148 10.724 1.00 2.11 C ATOM 294 CG GLU A 20 12.205 4.323 11.986 1.00 2.61 C ATOM 295 CD GLU A 20 13.425 4.462 12.845 1.00 3.24 C ATOM 296 OE1 GLU A 20 13.610 5.537 13.459 1.00 3.36 O ATOM 297 OE2 GLU A 20 14.195 3.495 12.969 1.00 3.97 O ATOM 0 H GLU A 20 11.918 3.564 8.336 1.00 1.53 H new ATOM 0 HA GLU A 20 10.218 5.050 10.211 1.00 1.66 H new ATOM 0 HB2 GLU A 20 13.259 4.911 10.236 1.00 2.11 H new ATOM 0 HB3 GLU A 20 12.353 6.201 11.002 1.00 2.11 H new ATOM 0 HG2 GLU A 20 11.326 4.634 12.550 1.00 2.61 H new ATOM 0 HG3 GLU A 20 12.062 3.275 11.724 1.00 2.61 H new ATOM 304 N THR A 21 10.400 5.958 7.635 1.00 1.88 N ATOM 305 CA THR A 21 10.424 6.849 6.451 1.00 2.20 C ATOM 306 C THR A 21 11.859 6.945 5.896 1.00 2.10 C ATOM 307 O THR A 21 12.438 8.018 5.724 1.00 2.75 O ATOM 308 CB THR A 21 9.704 8.265 6.668 1.00 2.92 C ATOM 309 OG1 THR A 21 9.670 9.031 5.452 1.00 3.25 O ATOM 310 CG2 THR A 21 10.326 9.114 7.777 1.00 3.47 C ATOM 0 H THR A 21 9.629 5.291 7.624 1.00 1.88 H new ATOM 0 HA THR A 21 9.802 6.389 5.683 1.00 2.20 H new ATOM 0 HB THR A 21 8.690 8.015 6.980 1.00 2.92 H new ATOM 0 HG1 THR A 21 10.580 9.129 5.102 1.00 3.25 H new ATOM 0 HG21 THR A 21 9.784 10.056 7.862 1.00 3.47 H new ATOM 0 HG22 THR A 21 10.269 8.575 8.723 1.00 3.47 H new ATOM 0 HG23 THR A 21 11.370 9.317 7.538 1.00 3.47 H new ATOM 318 N ASP A 22 12.407 5.756 5.677 1.00 1.66 N ATOM 319 CA ASP A 22 13.791 5.485 5.254 1.00 1.92 C ATOM 320 C ASP A 22 14.267 6.304 4.065 1.00 2.00 C ATOM 321 O ASP A 22 15.467 6.534 3.903 1.00 2.52 O ATOM 322 CB ASP A 22 13.945 3.994 4.966 1.00 2.44 C ATOM 323 CG ASP A 22 13.727 3.147 6.201 1.00 3.14 C ATOM 324 OD1 ASP A 22 12.603 3.163 6.750 1.00 3.47 O ATOM 325 OD2 ASP A 22 14.684 2.460 6.646 1.00 3.81 O ATOM 0 H ASP A 22 11.870 4.897 5.795 1.00 1.66 H new ATOM 0 HA ASP A 22 14.429 5.793 6.083 1.00 1.92 H new ATOM 0 HB2 ASP A 22 13.233 3.699 4.195 1.00 2.44 H new ATOM 0 HB3 ASP A 22 14.942 3.804 4.568 1.00 2.44 H new ATOM 330 N GLY A 23 13.361 6.727 3.232 1.00 1.96 N ATOM 331 CA GLY A 23 13.753 7.555 2.130 1.00 2.29 C ATOM 332 C GLY A 23 13.987 6.775 0.874 1.00 1.79 C ATOM 333 O GLY A 23 14.905 7.073 0.107 1.00 2.14 O ATOM 0 H GLY A 23 12.365 6.518 3.292 1.00 1.96 H new ATOM 0 HA2 GLY A 23 12.980 8.302 1.950 1.00 2.29 H new ATOM 0 HA3 GLY A 23 14.663 8.095 2.392 1.00 2.29 H new ATOM 337 N THR A 24 13.161 5.781 0.642 1.00 1.42 N ATOM 338 CA THR A 24 13.205 4.984 -0.564 1.00 1.57 C ATOM 339 C THR A 24 12.503 5.732 -1.725 1.00 1.79 C ATOM 340 O THR A 24 11.864 5.132 -2.586 1.00 2.50 O ATOM 341 CB THR A 24 12.526 3.633 -0.280 1.00 2.00 C ATOM 342 OG1 THR A 24 11.367 3.860 0.558 1.00 2.76 O ATOM 343 CG2 THR A 24 13.481 2.683 0.430 1.00 2.01 C ATOM 0 H THR A 24 12.429 5.499 1.294 1.00 1.42 H new ATOM 0 HA THR A 24 14.238 4.810 -0.865 1.00 1.57 H new ATOM 0 HB THR A 24 12.231 3.181 -1.227 1.00 2.00 H new ATOM 0 HG1 THR A 24 10.925 3.005 0.744 1.00 2.76 H new ATOM 0 HG21 THR A 24 12.977 1.735 0.620 1.00 2.01 H new ATOM 0 HG22 THR A 24 14.356 2.510 -0.197 1.00 2.01 H new ATOM 0 HG23 THR A 24 13.795 3.123 1.377 1.00 2.01 H new ATOM 351 N ASP A 25 12.754 7.041 -1.758 1.00 1.60 N ATOM 352 CA ASP A 25 12.179 8.018 -2.668 1.00 1.91 C ATOM 353 C ASP A 25 10.674 7.885 -2.808 1.00 1.36 C ATOM 354 O ASP A 25 10.137 7.414 -3.818 1.00 1.34 O ATOM 355 CB ASP A 25 12.902 8.109 -4.008 1.00 2.62 C ATOM 356 CG ASP A 25 12.436 9.296 -4.817 1.00 3.27 C ATOM 357 OD1 ASP A 25 12.662 10.448 -4.407 1.00 3.79 O ATOM 358 OD2 ASP A 25 11.794 9.094 -5.861 1.00 3.69 O ATOM 0 H ASP A 25 13.409 7.470 -1.104 1.00 1.60 H new ATOM 0 HA ASP A 25 12.348 8.984 -2.192 1.00 1.91 H new ATOM 0 HB2 ASP A 25 13.976 8.185 -3.837 1.00 2.62 H new ATOM 0 HB3 ASP A 25 12.733 7.194 -4.575 1.00 2.62 H new ATOM 363 N LEU A 26 10.006 8.249 -1.749 1.00 1.18 N ATOM 364 CA LEU A 26 8.573 8.188 -1.679 1.00 0.83 C ATOM 365 C LEU A 26 7.997 9.587 -1.805 1.00 0.82 C ATOM 366 O LEU A 26 6.791 9.773 -1.983 1.00 0.85 O ATOM 367 CB LEU A 26 8.140 7.565 -0.351 1.00 1.19 C ATOM 368 CG LEU A 26 8.649 6.150 -0.063 1.00 0.80 C ATOM 369 CD1 LEU A 26 8.207 5.712 1.319 1.00 0.94 C ATOM 370 CD2 LEU A 26 8.148 5.167 -1.116 1.00 0.87 C ATOM 0 H LEU A 26 10.447 8.601 -0.899 1.00 1.18 H new ATOM 0 HA LEU A 26 8.201 7.570 -2.496 1.00 0.83 H new ATOM 0 HB2 LEU A 26 8.471 8.218 0.456 1.00 1.19 H new ATOM 0 HB3 LEU A 26 7.051 7.549 -0.321 1.00 1.19 H new ATOM 0 HG LEU A 26 9.738 6.161 -0.101 1.00 0.80 H new ATOM 0 HD11 LEU A 26 8.573 4.704 1.516 1.00 0.94 H new ATOM 0 HD12 LEU A 26 8.611 6.397 2.064 1.00 0.94 H new ATOM 0 HD13 LEU A 26 7.118 5.719 1.372 1.00 0.94 H new ATOM 0 HD21 LEU A 26 8.523 4.169 -0.890 1.00 0.87 H new ATOM 0 HD22 LEU A 26 7.058 5.155 -1.113 1.00 0.87 H new ATOM 0 HD23 LEU A 26 8.504 5.474 -2.099 1.00 0.87 H new ATOM 382 N SER A 27 8.848 10.570 -1.697 1.00 0.91 N ATOM 383 CA SER A 27 8.420 11.932 -1.807 1.00 0.99 C ATOM 384 C SER A 27 8.384 12.398 -3.261 1.00 1.04 C ATOM 385 O SER A 27 9.305 13.065 -3.767 1.00 1.44 O ATOM 386 CB SER A 27 9.244 12.821 -0.919 1.00 1.16 C ATOM 387 OG SER A 27 9.138 12.385 0.441 1.00 1.55 O ATOM 0 H SER A 27 9.847 10.449 -1.532 1.00 0.91 H new ATOM 0 HA SER A 27 7.392 12.000 -1.452 1.00 0.99 H new ATOM 0 HB2 SER A 27 10.287 12.801 -1.236 1.00 1.16 H new ATOM 0 HB3 SER A 27 8.904 13.853 -1.007 1.00 1.16 H new ATOM 0 HG SER A 27 9.679 12.967 1.014 1.00 1.55 H new ATOM 393 N GLY A 28 7.327 11.984 -3.926 1.00 1.36 N ATOM 394 CA GLY A 28 7.099 12.260 -5.312 1.00 1.53 C ATOM 395 C GLY A 28 6.068 11.288 -5.809 1.00 1.44 C ATOM 396 O GLY A 28 5.143 10.940 -5.055 1.00 2.11 O ATOM 0 H GLY A 28 6.586 11.430 -3.497 1.00 1.36 H new ATOM 0 HA2 GLY A 28 6.754 13.285 -5.446 1.00 1.53 H new ATOM 0 HA3 GLY A 28 8.024 12.159 -5.879 1.00 1.53 H new ATOM 400 N ASP A 29 6.199 10.814 -7.013 1.00 1.11 N ATOM 401 CA ASP A 29 5.265 9.821 -7.501 1.00 1.05 C ATOM 402 C ASP A 29 5.912 8.467 -7.379 1.00 0.88 C ATOM 403 O ASP A 29 6.671 8.033 -8.246 1.00 1.07 O ATOM 404 CB ASP A 29 4.810 10.068 -8.942 1.00 1.32 C ATOM 405 CG ASP A 29 3.682 9.129 -9.355 1.00 1.67 C ATOM 406 OD1 ASP A 29 3.953 7.911 -9.583 1.00 2.12 O ATOM 407 OD2 ASP A 29 2.513 9.574 -9.449 1.00 2.27 O ATOM 0 H ASP A 29 6.928 11.088 -7.672 1.00 1.11 H new ATOM 0 HA ASP A 29 4.362 9.882 -6.894 1.00 1.05 H new ATOM 0 HB2 ASP A 29 4.478 11.101 -9.045 1.00 1.32 H new ATOM 0 HB3 ASP A 29 5.656 9.937 -9.617 1.00 1.32 H new ATOM 412 N PHE A 30 5.644 7.825 -6.290 1.00 0.67 N ATOM 413 CA PHE A 30 6.246 6.548 -5.971 1.00 0.55 C ATOM 414 C PHE A 30 5.363 5.399 -6.433 1.00 0.42 C ATOM 415 O PHE A 30 5.578 4.257 -6.069 1.00 0.41 O ATOM 416 CB PHE A 30 6.487 6.456 -4.442 1.00 0.56 C ATOM 417 CG PHE A 30 5.227 6.504 -3.592 1.00 0.54 C ATOM 418 CD1 PHE A 30 4.627 7.711 -3.278 1.00 0.68 C ATOM 419 CD2 PHE A 30 4.649 5.333 -3.119 1.00 0.52 C ATOM 420 CE1 PHE A 30 3.482 7.752 -2.511 1.00 0.74 C ATOM 421 CE2 PHE A 30 3.502 5.370 -2.354 1.00 0.60 C ATOM 422 CZ PHE A 30 2.919 6.580 -2.050 1.00 0.69 C ATOM 0 H PHE A 30 4.995 8.166 -5.581 1.00 0.67 H new ATOM 0 HA PHE A 30 7.199 6.471 -6.494 1.00 0.55 H new ATOM 0 HB2 PHE A 30 7.017 5.528 -4.228 1.00 0.56 H new ATOM 0 HB3 PHE A 30 7.142 7.274 -4.142 1.00 0.56 H new ATOM 0 HD1 PHE A 30 5.061 8.632 -3.638 1.00 0.68 H new ATOM 0 HD2 PHE A 30 5.103 4.382 -3.353 1.00 0.52 H new ATOM 0 HE1 PHE A 30 3.026 8.701 -2.271 1.00 0.74 H new ATOM 0 HE2 PHE A 30 3.062 4.452 -1.994 1.00 0.60 H new ATOM 0 HZ PHE A 30 2.021 6.611 -1.451 1.00 0.69 H new ATOM 432 N LEU A 31 4.411 5.694 -7.274 1.00 0.39 N ATOM 433 CA LEU A 31 3.421 4.717 -7.636 1.00 0.35 C ATOM 434 C LEU A 31 3.880 3.757 -8.714 1.00 0.38 C ATOM 435 O LEU A 31 3.588 2.578 -8.644 1.00 0.50 O ATOM 436 CB LEU A 31 2.097 5.361 -8.006 1.00 0.39 C ATOM 437 CG LEU A 31 1.317 6.063 -6.883 1.00 0.54 C ATOM 438 CD1 LEU A 31 1.095 5.141 -5.699 1.00 1.17 C ATOM 439 CD2 LEU A 31 1.965 7.364 -6.453 1.00 1.45 C ATOM 0 H LEU A 31 4.299 6.603 -7.722 1.00 0.39 H new ATOM 0 HA LEU A 31 3.268 4.117 -6.739 1.00 0.35 H new ATOM 0 HB2 LEU A 31 2.285 6.091 -8.793 1.00 0.39 H new ATOM 0 HB3 LEU A 31 1.455 4.591 -8.432 1.00 0.39 H new ATOM 0 HG LEU A 31 0.341 6.318 -7.296 1.00 0.54 H new ATOM 0 HD11 LEU A 31 0.541 5.671 -4.924 1.00 1.17 H new ATOM 0 HD12 LEU A 31 0.527 4.268 -6.019 1.00 1.17 H new ATOM 0 HD13 LEU A 31 2.058 4.821 -5.301 1.00 1.17 H new ATOM 0 HD21 LEU A 31 1.374 7.819 -5.658 1.00 1.45 H new ATOM 0 HD22 LEU A 31 2.973 7.165 -6.088 1.00 1.45 H new ATOM 0 HD23 LEU A 31 2.014 8.044 -7.303 1.00 1.45 H new ATOM 451 N ASP A 32 4.616 4.236 -9.687 1.00 0.44 N ATOM 452 CA ASP A 32 5.086 3.356 -10.780 1.00 0.57 C ATOM 453 C ASP A 32 6.473 2.790 -10.489 1.00 0.48 C ATOM 454 O ASP A 32 7.291 2.550 -11.391 1.00 0.54 O ATOM 455 CB ASP A 32 5.034 4.056 -12.148 1.00 0.84 C ATOM 456 CG ASP A 32 3.614 4.272 -12.648 1.00 1.69 C ATOM 457 OD1 ASP A 32 3.018 3.336 -13.226 1.00 2.45 O ATOM 458 OD2 ASP A 32 3.055 5.381 -12.466 1.00 2.24 O ATOM 0 H ASP A 32 4.909 5.210 -9.763 1.00 0.44 H new ATOM 0 HA ASP A 32 4.395 2.514 -10.829 1.00 0.57 H new ATOM 0 HB2 ASP A 32 5.539 5.019 -12.077 1.00 0.84 H new ATOM 0 HB3 ASP A 32 5.584 3.460 -12.877 1.00 0.84 H new ATOM 463 N LEU A 33 6.712 2.536 -9.235 1.00 0.43 N ATOM 464 CA LEU A 33 7.949 1.940 -8.773 1.00 0.40 C ATOM 465 C LEU A 33 7.708 0.476 -8.526 1.00 0.33 C ATOM 466 O LEU A 33 6.583 0.041 -8.551 1.00 0.36 O ATOM 467 CB LEU A 33 8.352 2.559 -7.448 1.00 0.44 C ATOM 468 CG LEU A 33 8.617 4.053 -7.434 1.00 0.57 C ATOM 469 CD1 LEU A 33 9.076 4.473 -6.050 1.00 0.67 C ATOM 470 CD2 LEU A 33 9.651 4.438 -8.483 1.00 0.71 C ATOM 0 H LEU A 33 6.048 2.737 -8.487 1.00 0.43 H new ATOM 0 HA LEU A 33 8.727 2.100 -9.520 1.00 0.40 H new ATOM 0 HB2 LEU A 33 7.565 2.348 -6.723 1.00 0.44 H new ATOM 0 HB3 LEU A 33 9.252 2.053 -7.098 1.00 0.44 H new ATOM 0 HG LEU A 33 7.692 4.575 -7.679 1.00 0.57 H new ATOM 0 HD11 LEU A 33 9.266 5.546 -6.040 1.00 0.67 H new ATOM 0 HD12 LEU A 33 8.301 4.235 -5.322 1.00 0.67 H new ATOM 0 HD13 LEU A 33 9.991 3.940 -5.793 1.00 0.67 H new ATOM 0 HD21 LEU A 33 9.820 5.514 -8.449 1.00 0.71 H new ATOM 0 HD22 LEU A 33 10.587 3.917 -8.280 1.00 0.71 H new ATOM 0 HD23 LEU A 33 9.287 4.159 -9.472 1.00 0.71 H new ATOM 482 N ARG A 34 8.734 -0.272 -8.291 1.00 0.31 N ATOM 483 CA ARG A 34 8.558 -1.645 -7.893 1.00 0.32 C ATOM 484 C ARG A 34 9.000 -1.859 -6.478 1.00 0.36 C ATOM 485 O ARG A 34 9.914 -1.183 -5.986 1.00 0.48 O ATOM 486 CB ARG A 34 9.198 -2.653 -8.824 1.00 0.43 C ATOM 487 CG ARG A 34 8.449 -2.850 -10.115 1.00 0.59 C ATOM 488 CD ARG A 34 8.768 -4.206 -10.733 1.00 0.89 C ATOM 489 NE ARG A 34 8.406 -5.302 -9.811 1.00 1.94 N ATOM 490 CZ ARG A 34 7.365 -6.135 -9.956 1.00 2.65 C ATOM 491 NH1 ARG A 34 6.629 -6.101 -11.065 1.00 2.65 N ATOM 492 NH2 ARG A 34 7.103 -7.031 -9.008 1.00 3.76 N ATOM 0 H ARG A 34 9.704 0.035 -8.365 1.00 0.31 H new ATOM 0 HA ARG A 34 7.486 -1.830 -7.961 1.00 0.32 H new ATOM 0 HB2 ARG A 34 10.214 -2.330 -9.050 1.00 0.43 H new ATOM 0 HB3 ARG A 34 9.275 -3.611 -8.310 1.00 0.43 H new ATOM 0 HG2 ARG A 34 7.377 -2.773 -9.933 1.00 0.59 H new ATOM 0 HG3 ARG A 34 8.711 -2.057 -10.816 1.00 0.59 H new ATOM 0 HD2 ARG A 34 8.225 -4.320 -11.671 1.00 0.89 H new ATOM 0 HD3 ARG A 34 9.830 -4.261 -10.971 1.00 0.89 H new ATOM 0 HE ARG A 34 9.000 -5.437 -8.993 1.00 1.94 H new ATOM 0 HH11 ARG A 34 6.856 -5.440 -11.808 1.00 2.65 H new ATOM 0 HH12 ARG A 34 5.838 -6.736 -11.172 1.00 2.65 H new ATOM 0 HH21 ARG A 34 7.692 -7.081 -8.177 1.00 3.76 H new ATOM 0 HH22 ARG A 34 6.313 -7.667 -9.112 1.00 3.76 H new ATOM 506 N PHE A 35 8.370 -2.804 -5.826 1.00 0.35 N ATOM 507 CA PHE A 35 8.619 -3.061 -4.429 1.00 0.41 C ATOM 508 C PHE A 35 9.992 -3.643 -4.156 1.00 0.48 C ATOM 509 O PHE A 35 10.547 -3.414 -3.083 1.00 0.54 O ATOM 510 CB PHE A 35 7.514 -3.910 -3.813 1.00 0.41 C ATOM 511 CG PHE A 35 6.194 -3.199 -3.760 1.00 0.39 C ATOM 512 CD1 PHE A 35 5.985 -2.158 -2.886 1.00 0.40 C ATOM 513 CD2 PHE A 35 5.152 -3.594 -4.581 1.00 0.42 C ATOM 514 CE1 PHE A 35 4.766 -1.516 -2.835 1.00 0.44 C ATOM 515 CE2 PHE A 35 3.935 -2.959 -4.535 1.00 0.46 C ATOM 516 CZ PHE A 35 3.773 -1.857 -3.662 1.00 0.46 C ATOM 0 H PHE A 35 7.671 -3.416 -6.247 1.00 0.35 H new ATOM 0 HA PHE A 35 8.609 -2.088 -3.939 1.00 0.41 H new ATOM 0 HB2 PHE A 35 7.404 -4.828 -4.390 1.00 0.41 H new ATOM 0 HB3 PHE A 35 7.806 -4.201 -2.804 1.00 0.41 H new ATOM 0 HD1 PHE A 35 6.784 -1.840 -2.233 1.00 0.40 H new ATOM 0 HD2 PHE A 35 5.298 -4.414 -5.268 1.00 0.42 H new ATOM 0 HE1 PHE A 35 4.611 -0.725 -2.116 1.00 0.44 H new ATOM 0 HE2 PHE A 35 3.116 -3.295 -5.154 1.00 0.46 H new ATOM 0 HZ PHE A 35 2.851 -1.294 -3.664 1.00 0.46 H new ATOM 526 N GLU A 36 10.562 -4.340 -5.124 1.00 0.56 N ATOM 527 CA GLU A 36 11.873 -4.952 -4.948 1.00 0.70 C ATOM 528 C GLU A 36 12.929 -3.882 -4.717 1.00 0.69 C ATOM 529 O GLU A 36 13.776 -4.001 -3.831 1.00 0.80 O ATOM 530 CB GLU A 36 12.288 -5.806 -6.165 1.00 0.88 C ATOM 531 CG GLU A 36 11.361 -6.967 -6.533 1.00 1.65 C ATOM 532 CD GLU A 36 10.046 -6.528 -7.129 1.00 2.01 C ATOM 533 OE1 GLU A 36 9.957 -5.385 -7.628 1.00 2.71 O ATOM 534 OE2 GLU A 36 9.083 -7.316 -7.101 1.00 2.26 O ATOM 0 H GLU A 36 10.141 -4.498 -6.039 1.00 0.56 H new ATOM 0 HA GLU A 36 11.800 -5.606 -4.079 1.00 0.70 H new ATOM 0 HB2 GLU A 36 12.371 -5.149 -7.030 1.00 0.88 H new ATOM 0 HB3 GLU A 36 13.282 -6.210 -5.975 1.00 0.88 H new ATOM 0 HG2 GLU A 36 11.872 -7.618 -7.243 1.00 1.65 H new ATOM 0 HG3 GLU A 36 11.165 -7.561 -5.640 1.00 1.65 H new ATOM 541 N ASP A 37 12.827 -2.804 -5.476 1.00 0.67 N ATOM 542 CA ASP A 37 13.818 -1.733 -5.418 1.00 0.76 C ATOM 543 C ASP A 37 13.705 -0.929 -4.137 1.00 0.72 C ATOM 544 O ASP A 37 14.691 -0.397 -3.638 1.00 0.87 O ATOM 545 CB ASP A 37 13.707 -0.805 -6.629 1.00 0.88 C ATOM 546 CG ASP A 37 14.793 0.254 -6.645 1.00 1.13 C ATOM 547 OD1 ASP A 37 15.970 -0.096 -6.892 1.00 1.43 O ATOM 548 OD2 ASP A 37 14.493 1.444 -6.419 1.00 1.61 O ATOM 0 H ASP A 37 12.070 -2.644 -6.140 1.00 0.67 H new ATOM 0 HA ASP A 37 14.797 -2.211 -5.434 1.00 0.76 H new ATOM 0 HB2 ASP A 37 13.765 -1.396 -7.543 1.00 0.88 H new ATOM 0 HB3 ASP A 37 12.731 -0.321 -6.624 1.00 0.88 H new ATOM 553 N ILE A 38 12.515 -0.863 -3.580 1.00 0.59 N ATOM 554 CA ILE A 38 12.315 -0.089 -2.364 1.00 0.62 C ATOM 555 C ILE A 38 12.359 -0.960 -1.105 1.00 0.60 C ATOM 556 O ILE A 38 11.974 -0.514 -0.026 1.00 0.66 O ATOM 557 CB ILE A 38 11.022 0.776 -2.387 1.00 0.61 C ATOM 558 CG1 ILE A 38 9.769 -0.101 -2.563 1.00 0.52 C ATOM 559 CG2 ILE A 38 11.113 1.822 -3.488 1.00 0.70 C ATOM 560 CD1 ILE A 38 8.457 0.666 -2.549 1.00 0.57 C ATOM 0 H ILE A 38 11.680 -1.326 -3.939 1.00 0.59 H new ATOM 0 HA ILE A 38 13.158 0.601 -2.328 1.00 0.62 H new ATOM 0 HB ILE A 38 10.932 1.286 -1.428 1.00 0.61 H new ATOM 0 HG12 ILE A 38 9.849 -0.642 -3.506 1.00 0.52 H new ATOM 0 HG13 ILE A 38 9.748 -0.847 -1.768 1.00 0.52 H new ATOM 0 HG21 ILE A 38 10.203 2.422 -3.496 1.00 0.70 H new ATOM 0 HG22 ILE A 38 11.972 2.468 -3.306 1.00 0.70 H new ATOM 0 HG23 ILE A 38 11.229 1.327 -4.452 1.00 0.70 H new ATOM 0 HD11 ILE A 38 7.628 -0.029 -2.679 1.00 0.57 H new ATOM 0 HD12 ILE A 38 8.349 1.185 -1.597 1.00 0.57 H new ATOM 0 HD13 ILE A 38 8.452 1.393 -3.361 1.00 0.57 H new ATOM 572 N GLY A 39 12.898 -2.172 -1.248 1.00 0.57 N ATOM 573 CA GLY A 39 13.035 -3.093 -0.117 1.00 0.58 C ATOM 574 C GLY A 39 11.698 -3.454 0.507 1.00 0.50 C ATOM 575 O GLY A 39 11.534 -3.433 1.728 1.00 0.57 O ATOM 0 H GLY A 39 13.246 -2.539 -2.134 1.00 0.57 H new ATOM 0 HA2 GLY A 39 13.533 -4.003 -0.452 1.00 0.58 H new ATOM 0 HA3 GLY A 39 13.675 -2.640 0.640 1.00 0.58 H new ATOM 579 N TYR A 40 10.754 -3.769 -0.322 1.00 0.43 N ATOM 580 CA TYR A 40 9.422 -4.072 0.111 1.00 0.41 C ATOM 581 C TYR A 40 9.047 -5.432 -0.434 1.00 0.45 C ATOM 582 O TYR A 40 9.456 -5.783 -1.547 1.00 0.67 O ATOM 583 CB TYR A 40 8.493 -3.027 -0.481 1.00 0.44 C ATOM 584 CG TYR A 40 7.593 -2.318 0.487 1.00 0.49 C ATOM 585 CD1 TYR A 40 8.057 -1.255 1.240 1.00 0.66 C ATOM 586 CD2 TYR A 40 6.287 -2.740 0.677 1.00 0.61 C ATOM 587 CE1 TYR A 40 7.246 -0.630 2.158 1.00 0.88 C ATOM 588 CE2 TYR A 40 5.465 -2.116 1.589 1.00 0.86 C ATOM 589 CZ TYR A 40 5.911 -0.957 2.213 1.00 0.98 C ATOM 590 OH TYR A 40 5.155 -0.443 3.250 1.00 1.26 O ATOM 0 H TYR A 40 10.886 -3.824 -1.332 1.00 0.43 H new ATOM 0 HA TYR A 40 9.350 -4.072 1.199 1.00 0.41 H new ATOM 0 HB2 TYR A 40 9.099 -2.281 -0.995 1.00 0.44 H new ATOM 0 HB3 TYR A 40 7.872 -3.509 -1.237 1.00 0.44 H new ATOM 0 HD1 TYR A 40 9.072 -0.910 1.105 1.00 0.66 H new ATOM 0 HD2 TYR A 40 5.908 -3.571 0.101 1.00 0.61 H new ATOM 0 HE1 TYR A 40 7.654 0.111 2.830 1.00 0.88 H new ATOM 0 HE2 TYR A 40 4.490 -2.521 1.816 1.00 0.86 H new ATOM 0 HH TYR A 40 4.345 -0.983 3.364 1.00 1.26 H new ATOM 600 N ASP A 41 8.302 -6.197 0.321 1.00 0.48 N ATOM 601 CA ASP A 41 7.871 -7.504 -0.141 1.00 0.59 C ATOM 602 C ASP A 41 6.414 -7.709 0.287 1.00 0.45 C ATOM 603 O ASP A 41 5.788 -6.758 0.790 1.00 0.39 O ATOM 604 CB ASP A 41 8.802 -8.610 0.396 1.00 0.85 C ATOM 605 CG ASP A 41 8.652 -9.921 -0.344 1.00 1.50 C ATOM 606 OD1 ASP A 41 9.298 -10.105 -1.391 1.00 2.11 O ATOM 607 OD2 ASP A 41 7.887 -10.778 0.093 1.00 2.01 O ATOM 0 H ASP A 41 7.979 -5.945 1.255 1.00 0.48 H new ATOM 0 HA ASP A 41 7.929 -7.561 -1.228 1.00 0.59 H new ATOM 0 HB2 ASP A 41 9.836 -8.274 0.322 1.00 0.85 H new ATOM 0 HB3 ASP A 41 8.594 -8.770 1.454 1.00 0.85 H new ATOM 612 N SER A 42 5.892 -8.908 0.144 1.00 0.45 N ATOM 613 CA SER A 42 4.495 -9.173 0.359 1.00 0.41 C ATOM 614 C SER A 42 4.072 -9.046 1.818 1.00 0.33 C ATOM 615 O SER A 42 2.977 -8.553 2.093 1.00 0.30 O ATOM 616 CB SER A 42 4.111 -10.511 -0.240 1.00 0.50 C ATOM 617 OG SER A 42 5.064 -11.537 0.163 1.00 0.71 O ATOM 0 H SER A 42 6.433 -9.729 -0.127 1.00 0.45 H new ATOM 0 HA SER A 42 3.938 -8.395 -0.163 1.00 0.41 H new ATOM 0 HB2 SER A 42 3.108 -10.788 0.085 1.00 0.50 H new ATOM 0 HB3 SER A 42 4.084 -10.436 -1.327 1.00 0.50 H new ATOM 0 HG SER A 42 4.804 -12.397 -0.229 1.00 0.71 H new ATOM 622 N LEU A 43 4.920 -9.461 2.752 1.00 0.35 N ATOM 623 CA LEU A 43 4.585 -9.309 4.163 1.00 0.37 C ATOM 624 C LEU A 43 4.483 -7.838 4.523 1.00 0.33 C ATOM 625 O LEU A 43 3.532 -7.418 5.189 1.00 0.38 O ATOM 626 CB LEU A 43 5.578 -10.003 5.092 1.00 0.49 C ATOM 627 CG LEU A 43 5.253 -9.853 6.578 1.00 0.63 C ATOM 628 CD1 LEU A 43 3.903 -10.471 6.893 1.00 1.02 C ATOM 629 CD2 LEU A 43 6.338 -10.455 7.442 1.00 1.03 C ATOM 0 H LEU A 43 5.824 -9.895 2.565 1.00 0.35 H new ATOM 0 HA LEU A 43 3.621 -9.796 4.308 1.00 0.37 H new ATOM 0 HB2 LEU A 43 5.611 -11.064 4.844 1.00 0.49 H new ATOM 0 HB3 LEU A 43 6.574 -9.601 4.907 1.00 0.49 H new ATOM 0 HG LEU A 43 5.205 -8.788 6.806 1.00 0.63 H new ATOM 0 HD11 LEU A 43 3.689 -10.355 7.955 1.00 1.02 H new ATOM 0 HD12 LEU A 43 3.129 -9.972 6.310 1.00 1.02 H new ATOM 0 HD13 LEU A 43 3.920 -11.531 6.640 1.00 1.02 H new ATOM 0 HD21 LEU A 43 6.077 -10.332 8.493 1.00 1.03 H new ATOM 0 HD22 LEU A 43 6.437 -11.516 7.215 1.00 1.03 H new ATOM 0 HD23 LEU A 43 7.284 -9.951 7.242 1.00 1.03 H new ATOM 641 N ALA A 44 5.447 -7.060 4.057 1.00 0.33 N ATOM 642 CA ALA A 44 5.446 -5.621 4.254 1.00 0.37 C ATOM 643 C ALA A 44 4.187 -5.009 3.651 1.00 0.31 C ATOM 644 O ALA A 44 3.623 -4.073 4.197 1.00 0.35 O ATOM 645 CB ALA A 44 6.694 -4.994 3.651 1.00 0.46 C ATOM 0 H ALA A 44 6.250 -7.408 3.533 1.00 0.33 H new ATOM 0 HA ALA A 44 5.452 -5.417 5.325 1.00 0.37 H new ATOM 0 HB1 ALA A 44 6.673 -3.916 3.810 1.00 0.46 H new ATOM 0 HB2 ALA A 44 7.579 -5.414 4.129 1.00 0.46 H new ATOM 0 HB3 ALA A 44 6.726 -5.203 2.582 1.00 0.46 H new ATOM 651 N LEU A 45 3.742 -5.561 2.541 1.00 0.26 N ATOM 652 CA LEU A 45 2.517 -5.126 1.903 1.00 0.25 C ATOM 653 C LEU A 45 1.288 -5.461 2.730 1.00 0.28 C ATOM 654 O LEU A 45 0.367 -4.664 2.799 1.00 0.29 O ATOM 655 CB LEU A 45 2.416 -5.654 0.480 1.00 0.28 C ATOM 656 CG LEU A 45 3.342 -4.962 -0.510 1.00 0.34 C ATOM 657 CD1 LEU A 45 3.297 -5.638 -1.859 1.00 0.39 C ATOM 658 CD2 LEU A 45 2.935 -3.508 -0.643 1.00 0.40 C ATOM 0 H LEU A 45 4.218 -6.322 2.057 1.00 0.26 H new ATOM 0 HA LEU A 45 2.554 -4.038 1.841 1.00 0.25 H new ATOM 0 HB2 LEU A 45 2.639 -6.721 0.484 1.00 0.28 H new ATOM 0 HB3 LEU A 45 1.388 -5.544 0.136 1.00 0.28 H new ATOM 0 HG LEU A 45 4.364 -5.026 -0.137 1.00 0.34 H new ATOM 0 HD11 LEU A 45 3.968 -5.123 -2.547 1.00 0.39 H new ATOM 0 HD12 LEU A 45 3.610 -6.677 -1.756 1.00 0.39 H new ATOM 0 HD13 LEU A 45 2.280 -5.603 -2.250 1.00 0.39 H new ATOM 0 HD21 LEU A 45 3.596 -3.009 -1.351 1.00 0.40 H new ATOM 0 HD22 LEU A 45 1.907 -3.449 -1.002 1.00 0.40 H new ATOM 0 HD23 LEU A 45 3.009 -3.019 0.329 1.00 0.40 H new ATOM 670 N MET A 46 1.293 -6.613 3.387 1.00 0.34 N ATOM 671 CA MET A 46 0.191 -6.997 4.291 1.00 0.44 C ATOM 672 C MET A 46 0.156 -6.038 5.444 1.00 0.40 C ATOM 673 O MET A 46 -0.876 -5.480 5.778 1.00 0.45 O ATOM 674 CB MET A 46 0.390 -8.406 4.845 1.00 0.71 C ATOM 675 CG MET A 46 0.519 -9.443 3.785 1.00 0.38 C ATOM 676 SD MET A 46 -0.903 -9.484 2.707 1.00 1.64 S ATOM 677 CE MET A 46 -0.247 -10.482 1.393 1.00 2.26 C ATOM 0 H MET A 46 2.041 -7.303 3.319 1.00 0.34 H new ATOM 0 HA MET A 46 -0.740 -6.972 3.725 1.00 0.44 H new ATOM 0 HB2 MET A 46 1.284 -8.421 5.469 1.00 0.71 H new ATOM 0 HB3 MET A 46 -0.452 -8.658 5.489 1.00 0.71 H new ATOM 0 HG2 MET A 46 1.415 -9.248 3.195 1.00 0.38 H new ATOM 0 HG3 MET A 46 0.650 -10.421 4.249 1.00 0.38 H new ATOM 0 HE1 MET A 46 -0.652 -10.141 0.440 1.00 2.26 H new ATOM 0 HE2 MET A 46 0.839 -10.395 1.378 1.00 2.26 H new ATOM 0 HE3 MET A 46 -0.525 -11.524 1.554 1.00 2.26 H new ATOM 687 N GLU A 47 1.329 -5.817 5.990 1.00 0.40 N ATOM 688 CA GLU A 47 1.568 -4.934 7.111 1.00 0.46 C ATOM 689 C GLU A 47 1.097 -3.498 6.788 1.00 0.43 C ATOM 690 O GLU A 47 0.644 -2.751 7.669 1.00 0.53 O ATOM 691 CB GLU A 47 3.061 -5.003 7.403 1.00 0.54 C ATOM 692 CG GLU A 47 3.532 -4.233 8.620 1.00 1.22 C ATOM 693 CD GLU A 47 4.959 -4.564 8.982 1.00 1.77 C ATOM 694 OE1 GLU A 47 5.880 -4.114 8.257 1.00 2.22 O ATOM 695 OE2 GLU A 47 5.195 -5.252 9.988 1.00 2.46 O ATOM 0 H GLU A 47 2.180 -6.266 5.652 1.00 0.40 H new ATOM 0 HA GLU A 47 1.001 -5.238 7.991 1.00 0.46 H new ATOM 0 HB2 GLU A 47 3.339 -6.049 7.529 1.00 0.54 H new ATOM 0 HB3 GLU A 47 3.600 -4.632 6.531 1.00 0.54 H new ATOM 0 HG2 GLU A 47 3.446 -3.164 8.428 1.00 1.22 H new ATOM 0 HG3 GLU A 47 2.882 -4.459 9.465 1.00 1.22 H new ATOM 702 N THR A 48 1.181 -3.154 5.529 1.00 0.33 N ATOM 703 CA THR A 48 0.728 -1.891 5.007 1.00 0.33 C ATOM 704 C THR A 48 -0.808 -1.913 4.827 1.00 0.31 C ATOM 705 O THR A 48 -1.523 -1.088 5.418 1.00 0.36 O ATOM 706 CB THR A 48 1.427 -1.650 3.645 1.00 0.32 C ATOM 707 OG1 THR A 48 2.847 -1.611 3.851 1.00 0.37 O ATOM 708 CG2 THR A 48 0.966 -0.359 2.981 1.00 0.38 C ATOM 0 H THR A 48 1.579 -3.765 4.816 1.00 0.33 H new ATOM 0 HA THR A 48 0.977 -1.086 5.699 1.00 0.33 H new ATOM 0 HB THR A 48 1.159 -2.469 2.977 1.00 0.32 H new ATOM 0 HG1 THR A 48 3.176 -2.516 4.035 1.00 0.37 H new ATOM 0 HG21 THR A 48 1.484 -0.234 2.030 1.00 0.38 H new ATOM 0 HG22 THR A 48 -0.109 -0.404 2.806 1.00 0.38 H new ATOM 0 HG23 THR A 48 1.193 0.486 3.631 1.00 0.38 H new ATOM 716 N ALA A 49 -1.296 -2.877 4.036 1.00 0.29 N ATOM 717 CA ALA A 49 -2.693 -3.007 3.693 1.00 0.31 C ATOM 718 C ALA A 49 -3.567 -3.098 4.913 1.00 0.29 C ATOM 719 O ALA A 49 -4.521 -2.370 5.005 1.00 0.27 O ATOM 720 CB ALA A 49 -2.910 -4.214 2.792 1.00 0.35 C ATOM 0 H ALA A 49 -0.708 -3.596 3.615 1.00 0.29 H new ATOM 0 HA ALA A 49 -2.980 -2.105 3.153 1.00 0.31 H new ATOM 0 HB1 ALA A 49 -3.968 -4.297 2.543 1.00 0.35 H new ATOM 0 HB2 ALA A 49 -2.330 -4.094 1.877 1.00 0.35 H new ATOM 0 HB3 ALA A 49 -2.587 -5.117 3.310 1.00 0.35 H new ATOM 726 N ALA A 50 -3.181 -3.942 5.872 1.00 0.33 N ATOM 727 CA ALA A 50 -3.950 -4.192 7.105 1.00 0.37 C ATOM 728 C ALA A 50 -4.354 -2.904 7.817 1.00 0.33 C ATOM 729 O ALA A 50 -5.502 -2.760 8.264 1.00 0.34 O ATOM 730 CB ALA A 50 -3.145 -5.064 8.047 1.00 0.47 C ATOM 0 H ALA A 50 -2.316 -4.480 5.819 1.00 0.33 H new ATOM 0 HA ALA A 50 -4.868 -4.702 6.812 1.00 0.37 H new ATOM 0 HB1 ALA A 50 -3.719 -5.245 8.956 1.00 0.47 H new ATOM 0 HB2 ALA A 50 -2.924 -6.015 7.563 1.00 0.47 H new ATOM 0 HB3 ALA A 50 -2.212 -4.561 8.301 1.00 0.47 H new ATOM 736 N ARG A 51 -3.424 -1.971 7.894 1.00 0.34 N ATOM 737 CA ARG A 51 -3.648 -0.694 8.544 1.00 0.36 C ATOM 738 C ARG A 51 -4.710 0.087 7.792 1.00 0.33 C ATOM 739 O ARG A 51 -5.670 0.590 8.373 1.00 0.42 O ATOM 740 CB ARG A 51 -2.337 0.096 8.585 1.00 0.44 C ATOM 741 CG ARG A 51 -2.450 1.479 9.191 1.00 0.54 C ATOM 742 CD ARG A 51 -1.104 2.163 9.225 1.00 0.88 C ATOM 743 NE ARG A 51 -1.190 3.532 9.755 1.00 1.06 N ATOM 744 CZ ARG A 51 -0.276 4.114 10.545 1.00 1.91 C ATOM 745 NH1 ARG A 51 0.785 3.429 10.974 1.00 2.92 N ATOM 746 NH2 ARG A 51 -0.446 5.370 10.937 1.00 2.00 N ATOM 0 H ARG A 51 -2.487 -2.078 7.505 1.00 0.34 H new ATOM 0 HA ARG A 51 -3.994 -0.861 9.564 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -1.602 -0.475 9.152 1.00 0.44 H new ATOM 0 HB3 ARG A 51 -1.953 0.190 7.569 1.00 0.44 H new ATOM 0 HG2 ARG A 51 -3.153 2.078 8.612 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -2.851 1.406 10.202 1.00 0.54 H new ATOM 0 HD2 ARG A 51 -0.417 1.580 9.839 1.00 0.88 H new ATOM 0 HD3 ARG A 51 -0.687 2.190 8.218 1.00 0.88 H new ATOM 0 HE ARG A 51 -2.010 4.083 9.502 1.00 1.06 H new ATOM 0 HH11 ARG A 51 0.907 2.454 10.701 1.00 2.92 H new ATOM 0 HH12 ARG A 51 1.475 3.881 11.575 1.00 2.92 H new ATOM 0 HH21 ARG A 51 -1.270 5.891 10.637 1.00 2.00 H new ATOM 0 HH22 ARG A 51 0.248 5.815 11.538 1.00 2.00 H new ATOM 760 N LEU A 52 -4.562 0.119 6.496 1.00 0.28 N ATOM 761 CA LEU A 52 -5.456 0.856 5.640 1.00 0.30 C ATOM 762 C LEU A 52 -6.820 0.171 5.565 1.00 0.30 C ATOM 763 O LEU A 52 -7.849 0.840 5.493 1.00 0.37 O ATOM 764 CB LEU A 52 -4.815 1.033 4.267 1.00 0.31 C ATOM 765 CG LEU A 52 -3.459 1.760 4.290 1.00 0.35 C ATOM 766 CD1 LEU A 52 -2.835 1.796 2.914 1.00 0.41 C ATOM 767 CD2 LEU A 52 -3.609 3.173 4.845 1.00 0.40 C ATOM 0 H LEU A 52 -3.815 -0.367 6.000 1.00 0.28 H new ATOM 0 HA LEU A 52 -5.630 1.848 6.057 1.00 0.30 H new ATOM 0 HB2 LEU A 52 -4.680 0.051 3.813 1.00 0.31 H new ATOM 0 HB3 LEU A 52 -5.501 1.589 3.628 1.00 0.31 H new ATOM 0 HG LEU A 52 -2.795 1.200 4.948 1.00 0.35 H new ATOM 0 HD11 LEU A 52 -1.878 2.316 2.962 1.00 0.41 H new ATOM 0 HD12 LEU A 52 -2.677 0.777 2.559 1.00 0.41 H new ATOM 0 HD13 LEU A 52 -3.499 2.321 2.227 1.00 0.41 H new ATOM 0 HD21 LEU A 52 -2.637 3.667 4.851 1.00 0.40 H new ATOM 0 HD22 LEU A 52 -4.299 3.738 4.219 1.00 0.40 H new ATOM 0 HD23 LEU A 52 -3.998 3.125 5.862 1.00 0.40 H new ATOM 779 N GLU A 53 -6.817 -1.165 5.608 1.00 0.27 N ATOM 780 CA GLU A 53 -8.030 -1.948 5.663 1.00 0.30 C ATOM 781 C GLU A 53 -8.840 -1.517 6.864 1.00 0.33 C ATOM 782 O GLU A 53 -9.973 -1.079 6.737 1.00 0.35 O ATOM 783 CB GLU A 53 -7.763 -3.440 5.855 1.00 0.33 C ATOM 784 CG GLU A 53 -7.003 -4.167 4.790 1.00 0.37 C ATOM 785 CD GLU A 53 -7.134 -5.649 5.002 1.00 0.58 C ATOM 786 OE1 GLU A 53 -8.168 -6.221 4.572 1.00 0.71 O ATOM 787 OE2 GLU A 53 -6.275 -6.243 5.672 1.00 0.91 O ATOM 0 H GLU A 53 -5.964 -1.725 5.605 1.00 0.27 H new ATOM 0 HA GLU A 53 -8.544 -1.787 4.715 1.00 0.30 H new ATOM 0 HB2 GLU A 53 -7.221 -3.563 6.793 1.00 0.33 H new ATOM 0 HB3 GLU A 53 -8.725 -3.937 5.975 1.00 0.33 H new ATOM 0 HG2 GLU A 53 -7.385 -3.895 3.806 1.00 0.37 H new ATOM 0 HG3 GLU A 53 -5.953 -3.877 4.816 1.00 0.37 H new ATOM 794 N SER A 54 -8.198 -1.627 8.016 1.00 0.37 N ATOM 795 CA SER A 54 -8.764 -1.334 9.318 1.00 0.44 C ATOM 796 C SER A 54 -9.295 0.103 9.371 1.00 0.43 C ATOM 797 O SER A 54 -10.463 0.336 9.705 1.00 0.52 O ATOM 798 CB SER A 54 -7.653 -1.559 10.362 1.00 0.54 C ATOM 799 OG SER A 54 -8.066 -1.332 11.695 1.00 1.44 O ATOM 0 H SER A 54 -7.227 -1.936 8.069 1.00 0.37 H new ATOM 0 HA SER A 54 -9.612 -1.987 9.524 1.00 0.44 H new ATOM 0 HB2 SER A 54 -7.287 -2.582 10.274 1.00 0.54 H new ATOM 0 HB3 SER A 54 -6.815 -0.900 10.134 1.00 0.54 H new ATOM 0 HG SER A 54 -7.314 -1.494 12.302 1.00 1.44 H new ATOM 805 N ARG A 55 -8.448 1.038 8.988 1.00 0.44 N ATOM 806 CA ARG A 55 -8.760 2.458 8.999 1.00 0.50 C ATOM 807 C ARG A 55 -9.971 2.805 8.123 1.00 0.50 C ATOM 808 O ARG A 55 -10.810 3.619 8.504 1.00 0.62 O ATOM 809 CB ARG A 55 -7.533 3.233 8.538 1.00 0.59 C ATOM 810 CG ARG A 55 -7.735 4.718 8.357 1.00 0.97 C ATOM 811 CD ARG A 55 -6.462 5.355 7.871 1.00 1.13 C ATOM 812 NE ARG A 55 -6.660 6.733 7.458 1.00 1.24 N ATOM 813 CZ ARG A 55 -5.726 7.503 6.907 1.00 1.64 C ATOM 814 NH1 ARG A 55 -4.461 7.075 6.822 1.00 1.93 N ATOM 815 NH2 ARG A 55 -6.031 8.716 6.459 1.00 2.25 N ATOM 0 H ARG A 55 -7.507 0.831 8.654 1.00 0.44 H new ATOM 0 HA ARG A 55 -9.027 2.737 10.018 1.00 0.50 H new ATOM 0 HB2 ARG A 55 -6.733 3.078 9.262 1.00 0.59 H new ATOM 0 HB3 ARG A 55 -7.193 2.812 7.592 1.00 0.59 H new ATOM 0 HG2 ARG A 55 -8.538 4.900 7.643 1.00 0.97 H new ATOM 0 HG3 ARG A 55 -8.040 5.170 9.301 1.00 0.97 H new ATOM 0 HD2 ARG A 55 -5.714 5.319 8.663 1.00 1.13 H new ATOM 0 HD3 ARG A 55 -6.067 4.780 7.034 1.00 1.13 H new ATOM 0 HE ARG A 55 -7.584 7.141 7.601 1.00 1.24 H new ATOM 0 HH11 ARG A 55 -4.209 6.154 7.181 1.00 1.93 H new ATOM 0 HH12 ARG A 55 -3.749 7.670 6.398 1.00 1.93 H new ATOM 0 HH21 ARG A 55 -6.987 9.063 6.536 1.00 2.25 H new ATOM 0 HH22 ARG A 55 -5.309 9.301 6.038 1.00 2.25 H new ATOM 829 N TYR A 56 -10.060 2.196 6.967 1.00 0.42 N ATOM 830 CA TYR A 56 -11.127 2.518 6.041 1.00 0.44 C ATOM 831 C TYR A 56 -12.318 1.568 6.123 1.00 0.43 C ATOM 832 O TYR A 56 -13.328 1.790 5.465 1.00 0.52 O ATOM 833 CB TYR A 56 -10.593 2.617 4.620 1.00 0.44 C ATOM 834 CG TYR A 56 -9.682 3.804 4.393 1.00 0.49 C ATOM 835 CD1 TYR A 56 -10.211 5.046 4.096 1.00 0.62 C ATOM 836 CD2 TYR A 56 -8.303 3.688 4.476 1.00 0.48 C ATOM 837 CE1 TYR A 56 -9.402 6.134 3.883 1.00 0.71 C ATOM 838 CE2 TYR A 56 -7.484 4.773 4.266 1.00 0.55 C ATOM 839 CZ TYR A 56 -8.043 5.998 3.968 1.00 0.69 C ATOM 840 OH TYR A 56 -7.238 7.087 3.749 1.00 0.77 O ATOM 0 H TYR A 56 -9.413 1.478 6.642 1.00 0.42 H new ATOM 0 HA TYR A 56 -11.510 3.493 6.343 1.00 0.44 H new ATOM 0 HB2 TYR A 56 -10.050 1.703 4.381 1.00 0.44 H new ATOM 0 HB3 TYR A 56 -11.434 2.678 3.929 1.00 0.44 H new ATOM 0 HD1 TYR A 56 -11.283 5.163 4.030 1.00 0.62 H new ATOM 0 HD2 TYR A 56 -7.864 2.729 4.710 1.00 0.48 H new ATOM 0 HE1 TYR A 56 -9.837 7.095 3.649 1.00 0.71 H new ATOM 0 HE2 TYR A 56 -6.411 4.666 4.334 1.00 0.55 H new ATOM 0 HH TYR A 56 -6.299 6.825 3.848 1.00 0.77 H new ATOM 850 N GLY A 57 -12.197 0.526 6.919 1.00 0.38 N ATOM 851 CA GLY A 57 -13.283 -0.430 7.090 1.00 0.41 C ATOM 852 C GLY A 57 -13.461 -1.336 5.883 1.00 0.39 C ATOM 853 O GLY A 57 -14.547 -1.875 5.650 1.00 0.51 O ATOM 0 H GLY A 57 -11.359 0.315 7.460 1.00 0.38 H new ATOM 0 HA2 GLY A 57 -13.089 -1.040 7.972 1.00 0.41 H new ATOM 0 HA3 GLY A 57 -14.212 0.110 7.274 1.00 0.41 H new ATOM 857 N VAL A 58 -12.393 -1.536 5.136 1.00 0.34 N ATOM 858 CA VAL A 58 -12.452 -2.334 3.921 1.00 0.36 C ATOM 859 C VAL A 58 -11.891 -3.734 4.155 1.00 0.39 C ATOM 860 O VAL A 58 -11.411 -4.038 5.254 1.00 0.42 O ATOM 861 CB VAL A 58 -11.747 -1.662 2.695 1.00 0.36 C ATOM 862 CG1 VAL A 58 -12.316 -0.290 2.441 1.00 0.41 C ATOM 863 CG2 VAL A 58 -10.245 -1.559 2.888 1.00 0.34 C ATOM 0 H VAL A 58 -11.470 -1.157 5.348 1.00 0.34 H new ATOM 0 HA VAL A 58 -13.510 -2.408 3.668 1.00 0.36 H new ATOM 0 HB VAL A 58 -11.935 -2.301 1.832 1.00 0.36 H new ATOM 0 HG11 VAL A 58 -11.813 0.160 1.585 1.00 0.41 H new ATOM 0 HG12 VAL A 58 -13.383 -0.371 2.233 1.00 0.41 H new ATOM 0 HG13 VAL A 58 -12.165 0.335 3.321 1.00 0.41 H new ATOM 0 HG21 VAL A 58 -9.797 -1.087 2.013 1.00 0.34 H new ATOM 0 HG22 VAL A 58 -10.032 -0.959 3.773 1.00 0.34 H new ATOM 0 HG23 VAL A 58 -9.825 -2.557 3.016 1.00 0.34 H new ATOM 873 N SER A 59 -11.962 -4.569 3.150 1.00 0.43 N ATOM 874 CA SER A 59 -11.440 -5.913 3.213 1.00 0.49 C ATOM 875 C SER A 59 -10.621 -6.225 1.950 1.00 0.45 C ATOM 876 O SER A 59 -11.171 -6.294 0.836 1.00 0.56 O ATOM 877 CB SER A 59 -12.601 -6.896 3.419 1.00 0.67 C ATOM 878 OG SER A 59 -13.693 -6.608 2.533 1.00 1.48 O ATOM 0 H SER A 59 -12.389 -4.333 2.254 1.00 0.43 H new ATOM 0 HA SER A 59 -10.762 -6.015 4.060 1.00 0.49 H new ATOM 0 HB2 SER A 59 -12.252 -7.915 3.250 1.00 0.67 H new ATOM 0 HB3 SER A 59 -12.945 -6.844 4.452 1.00 0.67 H new ATOM 0 HG SER A 59 -13.345 -6.407 1.639 1.00 1.48 H new ATOM 884 N ILE A 60 -9.325 -6.372 2.122 1.00 0.39 N ATOM 885 CA ILE A 60 -8.405 -6.580 1.021 1.00 0.43 C ATOM 886 C ILE A 60 -8.031 -8.061 0.867 1.00 0.35 C ATOM 887 O ILE A 60 -7.766 -8.760 1.859 1.00 0.42 O ATOM 888 CB ILE A 60 -7.123 -5.705 1.207 1.00 0.58 C ATOM 889 CG1 ILE A 60 -7.512 -4.220 1.191 1.00 0.75 C ATOM 890 CG2 ILE A 60 -6.058 -6.001 0.139 1.00 0.71 C ATOM 891 CD1 ILE A 60 -6.362 -3.277 1.440 1.00 1.01 C ATOM 0 H ILE A 60 -8.875 -6.351 3.037 1.00 0.39 H new ATOM 0 HA ILE A 60 -8.910 -6.272 0.105 1.00 0.43 H new ATOM 0 HB ILE A 60 -6.678 -5.956 2.170 1.00 0.58 H new ATOM 0 HG12 ILE A 60 -7.959 -3.983 0.225 1.00 0.75 H new ATOM 0 HG13 ILE A 60 -8.278 -4.048 1.947 1.00 0.75 H new ATOM 0 HG21 ILE A 60 -5.186 -5.369 0.309 1.00 0.71 H new ATOM 0 HG22 ILE A 60 -5.764 -7.049 0.199 1.00 0.71 H new ATOM 0 HG23 ILE A 60 -6.467 -5.795 -0.850 1.00 0.71 H new ATOM 0 HD11 ILE A 60 -6.722 -2.249 1.412 1.00 1.01 H new ATOM 0 HD12 ILE A 60 -5.928 -3.483 2.418 1.00 1.01 H new ATOM 0 HD13 ILE A 60 -5.604 -3.417 0.670 1.00 1.01 H new ATOM 903 N PRO A 61 -8.055 -8.565 -0.386 1.00 0.43 N ATOM 904 CA PRO A 61 -7.671 -9.933 -0.696 1.00 0.50 C ATOM 905 C PRO A 61 -6.187 -10.204 -0.413 1.00 0.46 C ATOM 906 O PRO A 61 -5.288 -9.548 -0.980 1.00 0.40 O ATOM 907 CB PRO A 61 -7.964 -10.076 -2.192 1.00 0.63 C ATOM 908 CG PRO A 61 -8.860 -8.937 -2.526 1.00 0.74 C ATOM 909 CD PRO A 61 -8.492 -7.840 -1.591 1.00 0.63 C ATOM 0 HA PRO A 61 -8.216 -10.647 -0.079 1.00 0.50 H new ATOM 0 HB2 PRO A 61 -7.046 -10.039 -2.778 1.00 0.63 H new ATOM 0 HB3 PRO A 61 -8.443 -11.031 -2.410 1.00 0.63 H new ATOM 0 HG2 PRO A 61 -8.728 -8.627 -3.563 1.00 0.74 H new ATOM 0 HG3 PRO A 61 -9.907 -9.216 -2.408 1.00 0.74 H new ATOM 0 HD2 PRO A 61 -7.697 -7.214 -1.996 1.00 0.63 H new ATOM 0 HD3 PRO A 61 -9.339 -7.185 -1.384 1.00 0.63 H new ATOM 917 N ASP A 62 -5.968 -11.195 0.425 1.00 0.61 N ATOM 918 CA ASP A 62 -4.651 -11.648 0.909 1.00 0.72 C ATOM 919 C ASP A 62 -3.707 -11.950 -0.267 1.00 0.66 C ATOM 920 O ASP A 62 -2.573 -11.490 -0.302 1.00 0.67 O ATOM 921 CB ASP A 62 -4.892 -12.919 1.744 1.00 1.04 C ATOM 922 CG ASP A 62 -3.704 -13.414 2.536 1.00 1.22 C ATOM 923 OD1 ASP A 62 -2.942 -14.259 2.031 1.00 1.74 O ATOM 924 OD2 ASP A 62 -3.582 -13.034 3.718 1.00 1.73 O ATOM 0 H ASP A 62 -6.733 -11.744 0.816 1.00 0.61 H new ATOM 0 HA ASP A 62 -4.177 -10.871 1.508 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -5.713 -12.728 2.435 1.00 1.04 H new ATOM 0 HB3 ASP A 62 -5.218 -13.716 1.075 1.00 1.04 H new ATOM 929 N ASP A 63 -4.216 -12.652 -1.265 1.00 0.68 N ATOM 930 CA ASP A 63 -3.407 -13.031 -2.434 1.00 0.73 C ATOM 931 C ASP A 63 -3.057 -11.852 -3.319 1.00 0.63 C ATOM 932 O ASP A 63 -2.044 -11.871 -4.003 1.00 0.78 O ATOM 933 CB ASP A 63 -4.083 -14.129 -3.277 1.00 0.92 C ATOM 934 CG ASP A 63 -3.921 -15.512 -2.697 1.00 1.41 C ATOM 935 OD1 ASP A 63 -4.421 -15.774 -1.594 1.00 1.81 O ATOM 936 OD2 ASP A 63 -3.256 -16.369 -3.321 1.00 2.17 O ATOM 0 H ASP A 63 -5.183 -12.975 -1.299 1.00 0.68 H new ATOM 0 HA ASP A 63 -2.479 -13.427 -2.021 1.00 0.73 H new ATOM 0 HB2 ASP A 63 -5.145 -13.904 -3.370 1.00 0.92 H new ATOM 0 HB3 ASP A 63 -3.665 -14.114 -4.284 1.00 0.92 H new ATOM 941 N VAL A 64 -3.879 -10.827 -3.305 1.00 0.48 N ATOM 942 CA VAL A 64 -3.664 -9.684 -4.182 1.00 0.44 C ATOM 943 C VAL A 64 -2.744 -8.659 -3.525 1.00 0.38 C ATOM 944 O VAL A 64 -1.923 -8.029 -4.198 1.00 0.41 O ATOM 945 CB VAL A 64 -4.999 -9.012 -4.597 1.00 0.50 C ATOM 946 CG1 VAL A 64 -4.760 -7.916 -5.632 1.00 0.57 C ATOM 947 CG2 VAL A 64 -5.963 -10.043 -5.141 1.00 0.58 C ATOM 0 H VAL A 64 -4.699 -10.755 -2.703 1.00 0.48 H new ATOM 0 HA VAL A 64 -3.185 -10.062 -5.085 1.00 0.44 H new ATOM 0 HB VAL A 64 -5.437 -8.555 -3.710 1.00 0.50 H new ATOM 0 HG11 VAL A 64 -5.712 -7.461 -5.906 1.00 0.57 H new ATOM 0 HG12 VAL A 64 -4.102 -7.156 -5.211 1.00 0.57 H new ATOM 0 HG13 VAL A 64 -4.296 -8.348 -6.519 1.00 0.57 H new ATOM 0 HG21 VAL A 64 -6.894 -9.555 -5.427 1.00 0.58 H new ATOM 0 HG22 VAL A 64 -5.524 -10.527 -6.013 1.00 0.58 H new ATOM 0 HG23 VAL A 64 -6.166 -10.791 -4.375 1.00 0.58 H new ATOM 957 N ALA A 65 -2.857 -8.535 -2.206 1.00 0.36 N ATOM 958 CA ALA A 65 -2.087 -7.561 -1.428 1.00 0.36 C ATOM 959 C ALA A 65 -0.586 -7.724 -1.631 1.00 0.38 C ATOM 960 O ALA A 65 0.142 -6.751 -1.704 1.00 0.46 O ATOM 961 CB ALA A 65 -2.437 -7.661 0.044 1.00 0.42 C ATOM 0 H ALA A 65 -3.486 -9.107 -1.642 1.00 0.36 H new ATOM 0 HA ALA A 65 -2.358 -6.570 -1.791 1.00 0.36 H new ATOM 0 HB1 ALA A 65 -1.856 -6.930 0.607 1.00 0.42 H new ATOM 0 HB2 ALA A 65 -3.500 -7.461 0.180 1.00 0.42 H new ATOM 0 HB3 ALA A 65 -2.207 -8.663 0.405 1.00 0.42 H new ATOM 967 N GLY A 66 -0.141 -8.953 -1.762 1.00 0.39 N ATOM 968 CA GLY A 66 1.259 -9.201 -1.985 1.00 0.46 C ATOM 969 C GLY A 66 1.527 -9.639 -3.393 1.00 0.48 C ATOM 970 O GLY A 66 2.442 -10.412 -3.650 1.00 0.77 O ATOM 0 H GLY A 66 -0.725 -9.788 -1.718 1.00 0.39 H new ATOM 0 HA2 GLY A 66 1.827 -8.296 -1.771 1.00 0.46 H new ATOM 0 HA3 GLY A 66 1.608 -9.968 -1.293 1.00 0.46 H new ATOM 974 N ARG A 67 0.708 -9.184 -4.304 1.00 0.36 N ATOM 975 CA ARG A 67 0.853 -9.533 -5.703 1.00 0.41 C ATOM 976 C ARG A 67 0.913 -8.267 -6.554 1.00 0.37 C ATOM 977 O ARG A 67 1.080 -8.310 -7.775 1.00 0.47 O ATOM 978 CB ARG A 67 -0.335 -10.373 -6.075 1.00 0.55 C ATOM 979 CG ARG A 67 -0.254 -11.071 -7.405 1.00 1.14 C ATOM 980 CD ARG A 67 -1.489 -11.926 -7.644 1.00 1.95 C ATOM 981 NE ARG A 67 -1.644 -12.956 -6.599 1.00 2.92 N ATOM 982 CZ ARG A 67 -1.933 -14.238 -6.820 1.00 4.03 C ATOM 983 NH1 ARG A 67 -2.398 -14.631 -7.999 1.00 4.35 N ATOM 984 NH2 ARG A 67 -1.828 -15.107 -5.838 1.00 5.04 N ATOM 0 H ARG A 67 -0.077 -8.564 -4.104 1.00 0.36 H new ATOM 0 HA ARG A 67 1.776 -10.086 -5.877 1.00 0.41 H new ATOM 0 HB2 ARG A 67 -0.481 -11.125 -5.300 1.00 0.55 H new ATOM 0 HB3 ARG A 67 -1.220 -9.737 -6.073 1.00 0.55 H new ATOM 0 HG2 ARG A 67 -0.157 -10.334 -8.202 1.00 1.14 H new ATOM 0 HG3 ARG A 67 0.638 -11.696 -7.439 1.00 1.14 H new ATOM 0 HD2 ARG A 67 -2.374 -11.291 -7.664 1.00 1.95 H new ATOM 0 HD3 ARG A 67 -1.418 -12.405 -8.621 1.00 1.95 H new ATOM 0 HE ARG A 67 -1.520 -12.663 -5.630 1.00 2.92 H new ATOM 0 HH11 ARG A 67 -2.537 -13.950 -8.745 1.00 4.35 H new ATOM 0 HH12 ARG A 67 -2.616 -15.614 -8.159 1.00 4.35 H new ATOM 0 HH21 ARG A 67 -1.527 -14.798 -4.914 1.00 5.04 H new ATOM 0 HH22 ARG A 67 -2.048 -16.090 -6.001 1.00 5.04 H new ATOM 998 N VAL A 68 0.768 -7.146 -5.903 1.00 0.37 N ATOM 999 CA VAL A 68 0.798 -5.858 -6.561 1.00 0.38 C ATOM 1000 C VAL A 68 2.227 -5.499 -6.982 1.00 0.42 C ATOM 1001 O VAL A 68 3.135 -5.474 -6.166 1.00 0.75 O ATOM 1002 CB VAL A 68 0.164 -4.753 -5.673 1.00 0.40 C ATOM 1003 CG1 VAL A 68 -1.340 -4.971 -5.573 1.00 0.42 C ATOM 1004 CG2 VAL A 68 0.763 -4.763 -4.282 1.00 0.43 C ATOM 0 H VAL A 68 0.624 -7.094 -4.894 1.00 0.37 H new ATOM 0 HA VAL A 68 0.193 -5.925 -7.465 1.00 0.38 H new ATOM 0 HB VAL A 68 0.370 -3.788 -6.135 1.00 0.40 H new ATOM 0 HG11 VAL A 68 -1.780 -4.193 -4.949 1.00 0.42 H new ATOM 0 HG12 VAL A 68 -1.781 -4.929 -6.569 1.00 0.42 H new ATOM 0 HG13 VAL A 68 -1.537 -5.947 -5.129 1.00 0.42 H new ATOM 0 HG21 VAL A 68 0.301 -3.979 -3.681 1.00 0.43 H new ATOM 0 HG22 VAL A 68 0.583 -5.732 -3.815 1.00 0.43 H new ATOM 0 HG23 VAL A 68 1.836 -4.585 -4.347 1.00 0.43 H new ATOM 1014 N ASP A 69 2.407 -5.342 -8.282 1.00 0.35 N ATOM 1015 CA ASP A 69 3.713 -5.030 -8.892 1.00 0.42 C ATOM 1016 C ASP A 69 4.242 -3.698 -8.414 1.00 0.33 C ATOM 1017 O ASP A 69 5.363 -3.593 -7.906 1.00 0.34 O ATOM 1018 CB ASP A 69 3.600 -4.964 -10.428 1.00 0.62 C ATOM 1019 CG ASP A 69 3.191 -6.257 -11.077 1.00 1.22 C ATOM 1020 OD1 ASP A 69 1.973 -6.533 -11.147 1.00 2.03 O ATOM 1021 OD2 ASP A 69 4.068 -7.003 -11.572 1.00 1.32 O ATOM 0 H ASP A 69 1.651 -5.426 -8.961 1.00 0.35 H new ATOM 0 HA ASP A 69 4.394 -5.827 -8.594 1.00 0.42 H new ATOM 0 HB2 ASP A 69 2.877 -4.193 -10.694 1.00 0.62 H new ATOM 0 HB3 ASP A 69 4.561 -4.654 -10.838 1.00 0.62 H new ATOM 1026 N THR A 70 3.443 -2.683 -8.598 1.00 0.30 N ATOM 1027 CA THR A 70 3.822 -1.347 -8.270 1.00 0.28 C ATOM 1028 C THR A 70 2.897 -0.807 -7.171 1.00 0.26 C ATOM 1029 O THR A 70 1.797 -1.339 -6.976 1.00 0.27 O ATOM 1030 CB THR A 70 3.714 -0.449 -9.546 1.00 0.34 C ATOM 1031 OG1 THR A 70 2.362 -0.430 -10.027 1.00 0.44 O ATOM 1032 CG2 THR A 70 4.616 -0.972 -10.664 1.00 0.35 C ATOM 0 H THR A 70 2.503 -2.767 -8.984 1.00 0.30 H new ATOM 0 HA THR A 70 4.850 -1.336 -7.909 1.00 0.28 H new ATOM 0 HB THR A 70 4.029 0.556 -9.267 1.00 0.34 H new ATOM 0 HG1 THR A 70 2.334 0.001 -10.907 1.00 0.44 H new ATOM 0 HG21 THR A 70 4.521 -0.329 -11.539 1.00 0.35 H new ATOM 0 HG22 THR A 70 5.652 -0.973 -10.325 1.00 0.35 H new ATOM 0 HG23 THR A 70 4.319 -1.987 -10.926 1.00 0.35 H new ATOM 1040 N PRO A 71 3.329 0.214 -6.389 1.00 0.26 N ATOM 1041 CA PRO A 71 2.462 0.876 -5.406 1.00 0.26 C ATOM 1042 C PRO A 71 1.192 1.435 -6.055 1.00 0.24 C ATOM 1043 O PRO A 71 0.164 1.581 -5.392 1.00 0.25 O ATOM 1044 CB PRO A 71 3.338 1.996 -4.853 1.00 0.30 C ATOM 1045 CG PRO A 71 4.717 1.481 -5.025 1.00 0.32 C ATOM 1046 CD PRO A 71 4.703 0.739 -6.325 1.00 0.29 C ATOM 0 HA PRO A 71 2.108 0.192 -4.635 1.00 0.26 H new ATOM 0 HB2 PRO A 71 3.188 2.928 -5.398 1.00 0.30 H new ATOM 0 HB3 PRO A 71 3.114 2.199 -3.806 1.00 0.30 H new ATOM 0 HG2 PRO A 71 5.441 2.295 -5.045 1.00 0.32 H new ATOM 0 HG3 PRO A 71 4.997 0.825 -4.201 1.00 0.32 H new ATOM 0 HD2 PRO A 71 4.925 1.395 -7.167 1.00 0.29 H new ATOM 0 HD3 PRO A 71 5.443 -0.062 -6.341 1.00 0.29 H new ATOM 1054 N ARG A 72 1.273 1.742 -7.362 1.00 0.24 N ATOM 1055 CA ARG A 72 0.096 2.159 -8.138 1.00 0.27 C ATOM 1056 C ARG A 72 -0.974 1.069 -8.042 1.00 0.23 C ATOM 1057 O ARG A 72 -2.134 1.351 -7.754 1.00 0.27 O ATOM 1058 CB ARG A 72 0.448 2.358 -9.621 1.00 0.36 C ATOM 1059 CG ARG A 72 -0.714 2.881 -10.472 1.00 0.53 C ATOM 1060 CD ARG A 72 -0.946 4.371 -10.279 1.00 0.72 C ATOM 1061 NE ARG A 72 0.180 5.159 -10.815 1.00 0.79 N ATOM 1062 CZ ARG A 72 0.402 6.463 -10.597 1.00 1.57 C ATOM 1063 NH1 ARG A 72 -0.472 7.200 -9.924 1.00 2.55 N ATOM 1064 NH2 ARG A 72 1.489 7.024 -11.090 1.00 1.67 N ATOM 0 H ARG A 72 2.139 1.709 -7.900 1.00 0.24 H new ATOM 0 HA ARG A 72 -0.264 3.103 -7.730 1.00 0.27 H new ATOM 0 HB2 ARG A 72 1.282 3.056 -9.695 1.00 0.36 H new ATOM 0 HB3 ARG A 72 0.789 1.408 -10.034 1.00 0.36 H new ATOM 0 HG2 ARG A 72 -0.510 2.681 -11.524 1.00 0.53 H new ATOM 0 HG3 ARG A 72 -1.623 2.338 -10.215 1.00 0.53 H new ATOM 0 HD2 ARG A 72 -1.870 4.666 -10.777 1.00 0.72 H new ATOM 0 HD3 ARG A 72 -1.073 4.588 -9.218 1.00 0.72 H new ATOM 0 HE ARG A 72 0.851 4.667 -11.405 1.00 0.79 H new ATOM 0 HH11 ARG A 72 -1.327 6.776 -9.564 1.00 2.55 H new ATOM 0 HH12 ARG A 72 -0.289 8.191 -9.766 1.00 2.55 H new ATOM 0 HH21 ARG A 72 2.150 6.467 -11.631 1.00 1.67 H new ATOM 0 HH22 ARG A 72 1.668 8.015 -10.931 1.00 1.67 H new ATOM 1078 N GLU A 73 -0.547 -0.178 -8.235 1.00 0.21 N ATOM 1079 CA GLU A 73 -1.431 -1.338 -8.185 1.00 0.24 C ATOM 1080 C GLU A 73 -2.057 -1.481 -6.810 1.00 0.21 C ATOM 1081 O GLU A 73 -3.225 -1.847 -6.689 1.00 0.24 O ATOM 1082 CB GLU A 73 -0.661 -2.618 -8.494 1.00 0.32 C ATOM 1083 CG GLU A 73 0.033 -2.635 -9.827 1.00 0.44 C ATOM 1084 CD GLU A 73 -0.912 -2.493 -10.982 1.00 1.27 C ATOM 1085 OE1 GLU A 73 -1.661 -3.439 -11.272 1.00 1.49 O ATOM 1086 OE2 GLU A 73 -0.945 -1.409 -11.593 1.00 2.08 O ATOM 0 H GLU A 73 0.426 -0.411 -8.431 1.00 0.21 H new ATOM 0 HA GLU A 73 -2.210 -1.184 -8.932 1.00 0.24 H new ATOM 0 HB2 GLU A 73 0.082 -2.775 -7.712 1.00 0.32 H new ATOM 0 HB3 GLU A 73 -1.352 -3.460 -8.450 1.00 0.32 H new ATOM 0 HG2 GLU A 73 0.763 -1.826 -9.861 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.586 -3.568 -9.930 1.00 0.44 H new ATOM 1093 N LEU A 74 -1.272 -1.195 -5.784 1.00 0.19 N ATOM 1094 CA LEU A 74 -1.722 -1.304 -4.404 1.00 0.21 C ATOM 1095 C LEU A 74 -2.751 -0.203 -4.116 1.00 0.19 C ATOM 1096 O LEU A 74 -3.803 -0.460 -3.516 1.00 0.20 O ATOM 1097 CB LEU A 74 -0.492 -1.245 -3.444 1.00 0.25 C ATOM 1098 CG LEU A 74 -0.682 -1.632 -1.941 1.00 0.33 C ATOM 1099 CD1 LEU A 74 -1.483 -0.605 -1.160 1.00 1.07 C ATOM 1100 CD2 LEU A 74 -1.324 -3.007 -1.811 1.00 0.88 C ATOM 0 H LEU A 74 -0.307 -0.881 -5.883 1.00 0.19 H new ATOM 0 HA LEU A 74 -2.214 -2.262 -4.236 1.00 0.21 H new ATOM 0 HB2 LEU A 74 0.278 -1.897 -3.856 1.00 0.25 H new ATOM 0 HB3 LEU A 74 -0.100 -0.229 -3.475 1.00 0.25 H new ATOM 0 HG LEU A 74 0.317 -1.657 -1.505 1.00 0.33 H new ATOM 0 HD11 LEU A 74 -1.580 -0.930 -0.124 1.00 1.07 H new ATOM 0 HD12 LEU A 74 -0.971 0.357 -1.192 1.00 1.07 H new ATOM 0 HD13 LEU A 74 -2.474 -0.503 -1.603 1.00 1.07 H new ATOM 0 HD21 LEU A 74 -1.446 -3.254 -0.756 1.00 0.88 H new ATOM 0 HD22 LEU A 74 -2.300 -3.000 -2.297 1.00 0.88 H new ATOM 0 HD23 LEU A 74 -0.687 -3.753 -2.287 1.00 0.88 H new ATOM 1112 N LEU A 75 -2.463 1.008 -4.576 1.00 0.19 N ATOM 1113 CA LEU A 75 -3.368 2.133 -4.392 1.00 0.21 C ATOM 1114 C LEU A 75 -4.667 1.878 -5.132 1.00 0.20 C ATOM 1115 O LEU A 75 -5.748 2.083 -4.587 1.00 0.24 O ATOM 1116 CB LEU A 75 -2.741 3.435 -4.899 1.00 0.24 C ATOM 1117 CG LEU A 75 -3.579 4.706 -4.690 1.00 0.29 C ATOM 1118 CD1 LEU A 75 -3.775 4.982 -3.211 1.00 0.32 C ATOM 1119 CD2 LEU A 75 -2.932 5.892 -5.377 1.00 0.37 C ATOM 0 H LEU A 75 -1.606 1.236 -5.081 1.00 0.19 H new ATOM 0 HA LEU A 75 -3.565 2.236 -3.325 1.00 0.21 H new ATOM 0 HB2 LEU A 75 -1.780 3.571 -4.403 1.00 0.24 H new ATOM 0 HB3 LEU A 75 -2.538 3.328 -5.964 1.00 0.24 H new ATOM 0 HG LEU A 75 -4.560 4.546 -5.138 1.00 0.29 H new ATOM 0 HD11 LEU A 75 -4.371 5.886 -3.085 1.00 0.32 H new ATOM 0 HD12 LEU A 75 -4.291 4.140 -2.749 1.00 0.32 H new ATOM 0 HD13 LEU A 75 -2.804 5.118 -2.735 1.00 0.32 H new ATOM 0 HD21 LEU A 75 -3.541 6.782 -5.217 1.00 0.37 H new ATOM 0 HD22 LEU A 75 -1.937 6.054 -4.963 1.00 0.37 H new ATOM 0 HD23 LEU A 75 -2.852 5.694 -6.446 1.00 0.37 H new ATOM 1131 N ASP A 76 -4.542 1.395 -6.360 1.00 0.21 N ATOM 1132 CA ASP A 76 -5.686 1.093 -7.222 1.00 0.25 C ATOM 1133 C ASP A 76 -6.551 0.020 -6.588 1.00 0.23 C ATOM 1134 O ASP A 76 -7.778 0.116 -6.585 1.00 0.25 O ATOM 1135 CB ASP A 76 -5.211 0.628 -8.601 1.00 0.34 C ATOM 1136 CG ASP A 76 -6.347 0.452 -9.583 1.00 0.65 C ATOM 1137 OD1 ASP A 76 -6.943 -0.643 -9.618 1.00 1.07 O ATOM 1138 OD2 ASP A 76 -6.681 1.402 -10.318 1.00 0.72 O ATOM 0 H ASP A 76 -3.640 1.199 -6.793 1.00 0.21 H new ATOM 0 HA ASP A 76 -6.275 2.002 -7.342 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.501 1.353 -8.999 1.00 0.34 H new ATOM 0 HB3 ASP A 76 -4.677 -0.317 -8.497 1.00 0.34 H new ATOM 1143 N LEU A 77 -5.894 -0.989 -6.026 1.00 0.21 N ATOM 1144 CA LEU A 77 -6.551 -2.077 -5.314 1.00 0.23 C ATOM 1145 C LEU A 77 -7.420 -1.524 -4.188 1.00 0.26 C ATOM 1146 O LEU A 77 -8.625 -1.795 -4.123 1.00 0.31 O ATOM 1147 CB LEU A 77 -5.492 -3.026 -4.732 1.00 0.23 C ATOM 1148 CG LEU A 77 -6.001 -4.183 -3.872 1.00 0.30 C ATOM 1149 CD1 LEU A 77 -6.874 -5.124 -4.684 1.00 0.37 C ATOM 1150 CD2 LEU A 77 -4.829 -4.927 -3.247 1.00 0.32 C ATOM 0 H LEU A 77 -4.878 -1.074 -6.053 1.00 0.21 H new ATOM 0 HA LEU A 77 -7.185 -2.623 -6.012 1.00 0.23 H new ATOM 0 HB2 LEU A 77 -4.919 -3.444 -5.560 1.00 0.23 H new ATOM 0 HB3 LEU A 77 -4.800 -2.435 -4.132 1.00 0.23 H new ATOM 0 HG LEU A 77 -6.617 -3.773 -3.071 1.00 0.30 H new ATOM 0 HD11 LEU A 77 -7.222 -5.937 -4.048 1.00 0.37 H new ATOM 0 HD12 LEU A 77 -7.732 -4.577 -5.076 1.00 0.37 H new ATOM 0 HD13 LEU A 77 -6.295 -5.533 -5.512 1.00 0.37 H new ATOM 0 HD21 LEU A 77 -5.204 -5.749 -2.637 1.00 0.32 H new ATOM 0 HD22 LEU A 77 -4.188 -5.323 -4.034 1.00 0.32 H new ATOM 0 HD23 LEU A 77 -4.256 -4.243 -2.622 1.00 0.32 H new ATOM 1162 N ILE A 78 -6.820 -0.711 -3.333 1.00 0.26 N ATOM 1163 CA ILE A 78 -7.548 -0.141 -2.226 1.00 0.29 C ATOM 1164 C ILE A 78 -8.605 0.834 -2.718 1.00 0.29 C ATOM 1165 O ILE A 78 -9.716 0.795 -2.261 1.00 0.37 O ATOM 1166 CB ILE A 78 -6.630 0.518 -1.163 1.00 0.31 C ATOM 1167 CG1 ILE A 78 -5.649 -0.532 -0.625 1.00 0.31 C ATOM 1168 CG2 ILE A 78 -7.469 1.118 -0.019 1.00 0.35 C ATOM 1169 CD1 ILE A 78 -4.819 -0.083 0.555 1.00 0.34 C ATOM 0 H ILE A 78 -5.839 -0.437 -3.388 1.00 0.26 H new ATOM 0 HA ILE A 78 -8.044 -0.971 -1.724 1.00 0.29 H new ATOM 0 HB ILE A 78 -6.069 1.331 -1.624 1.00 0.31 H new ATOM 0 HG12 ILE A 78 -6.212 -1.420 -0.338 1.00 0.31 H new ATOM 0 HG13 ILE A 78 -4.978 -0.827 -1.431 1.00 0.31 H new ATOM 0 HG21 ILE A 78 -6.807 1.575 0.716 1.00 0.35 H new ATOM 0 HG22 ILE A 78 -8.143 1.874 -0.420 1.00 0.35 H new ATOM 0 HG23 ILE A 78 -8.051 0.329 0.458 1.00 0.35 H new ATOM 0 HD11 ILE A 78 -4.157 -0.892 0.863 1.00 0.34 H new ATOM 0 HD12 ILE A 78 -4.223 0.785 0.272 1.00 0.34 H new ATOM 0 HD13 ILE A 78 -5.477 0.183 1.382 1.00 0.34 H new ATOM 1181 N ASN A 79 -8.265 1.667 -3.696 1.00 0.27 N ATOM 1182 CA ASN A 79 -9.232 2.638 -4.264 1.00 0.32 C ATOM 1183 C ASN A 79 -10.440 1.943 -4.871 1.00 0.31 C ATOM 1184 O ASN A 79 -11.504 2.534 -4.984 1.00 0.37 O ATOM 1185 CB ASN A 79 -8.599 3.604 -5.296 1.00 0.44 C ATOM 1186 CG ASN A 79 -7.833 4.786 -4.685 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -7.785 5.867 -5.265 1.00 1.53 O ATOM 1188 ND2 ASN A 79 -7.225 4.599 -3.540 1.00 0.89 N ATOM 0 H ASN A 79 -7.337 1.700 -4.119 1.00 0.27 H new ATOM 0 HA ASN A 79 -9.561 3.242 -3.419 1.00 0.32 H new ATOM 0 HB2 ASN A 79 -7.919 3.038 -5.933 1.00 0.44 H new ATOM 0 HB3 ASN A 79 -9.388 3.994 -5.939 1.00 0.44 H new ATOM 0 HD21 ASN A 79 -6.698 5.360 -3.112 1.00 0.89 H new ATOM 0 HD22 ASN A 79 -7.279 3.692 -3.076 1.00 0.89 H new ATOM 1195 N GLY A 80 -10.268 0.700 -5.259 1.00 0.32 N ATOM 1196 CA GLY A 80 -11.369 -0.074 -5.773 1.00 0.39 C ATOM 1197 C GLY A 80 -12.270 -0.547 -4.654 1.00 0.42 C ATOM 1198 O GLY A 80 -13.468 -0.235 -4.637 1.00 0.47 O ATOM 0 H GLY A 80 -9.376 0.206 -5.228 1.00 0.32 H new ATOM 0 HA2 GLY A 80 -11.944 0.528 -6.477 1.00 0.39 H new ATOM 0 HA3 GLY A 80 -10.988 -0.933 -6.325 1.00 0.39 H new ATOM 1202 N ALA A 81 -11.681 -1.239 -3.689 1.00 0.44 N ATOM 1203 CA ALA A 81 -12.416 -1.783 -2.542 1.00 0.51 C ATOM 1204 C ALA A 81 -12.995 -0.672 -1.661 1.00 0.52 C ATOM 1205 O ALA A 81 -14.061 -0.810 -1.089 1.00 0.65 O ATOM 1206 CB ALA A 81 -11.508 -2.688 -1.721 1.00 0.56 C ATOM 0 H ALA A 81 -10.682 -1.442 -3.674 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.252 -2.366 -2.928 1.00 0.51 H new ATOM 0 HB1 ALA A 81 -12.063 -3.087 -0.872 1.00 0.56 H new ATOM 0 HB2 ALA A 81 -11.156 -3.511 -2.343 1.00 0.56 H new ATOM 0 HB3 ALA A 81 -10.654 -2.115 -1.359 1.00 0.56 H new ATOM 1212 N LEU A 82 -12.295 0.432 -1.591 1.00 0.46 N ATOM 1213 CA LEU A 82 -12.696 1.576 -0.792 1.00 0.54 C ATOM 1214 C LEU A 82 -13.822 2.360 -1.473 1.00 0.62 C ATOM 1215 O LEU A 82 -14.605 3.023 -0.818 1.00 0.84 O ATOM 1216 CB LEU A 82 -11.469 2.443 -0.506 1.00 0.55 C ATOM 1217 CG LEU A 82 -11.646 3.712 0.310 1.00 0.58 C ATOM 1218 CD1 LEU A 82 -12.361 3.424 1.617 1.00 1.24 C ATOM 1219 CD2 LEU A 82 -10.278 4.305 0.579 1.00 1.03 C ATOM 0 H LEU A 82 -11.417 0.569 -2.092 1.00 0.46 H new ATOM 0 HA LEU A 82 -13.101 1.233 0.160 1.00 0.54 H new ATOM 0 HB2 LEU A 82 -10.736 1.820 0.007 1.00 0.55 H new ATOM 0 HB3 LEU A 82 -11.033 2.725 -1.464 1.00 0.55 H new ATOM 0 HG LEU A 82 -12.258 4.419 -0.250 1.00 0.58 H new ATOM 0 HD11 LEU A 82 -12.474 4.350 2.181 1.00 1.24 H new ATOM 0 HD12 LEU A 82 -13.345 3.003 1.409 1.00 1.24 H new ATOM 0 HD13 LEU A 82 -11.778 2.712 2.201 1.00 1.24 H new ATOM 0 HD21 LEU A 82 -10.386 5.218 1.165 1.00 1.03 H new ATOM 0 HD22 LEU A 82 -9.673 3.588 1.134 1.00 1.03 H new ATOM 0 HD23 LEU A 82 -9.789 4.537 -0.367 1.00 1.03 H new ATOM 1231 N ALA A 83 -13.942 2.224 -2.785 1.00 0.53 N ATOM 1232 CA ALA A 83 -15.039 2.871 -3.506 1.00 0.66 C ATOM 1233 C ALA A 83 -16.314 2.063 -3.290 1.00 0.86 C ATOM 1234 O ALA A 83 -17.410 2.478 -3.634 1.00 1.05 O ATOM 1235 CB ALA A 83 -14.727 2.987 -4.991 1.00 0.64 C ATOM 0 H ALA A 83 -13.306 1.681 -3.369 1.00 0.53 H new ATOM 0 HA ALA A 83 -15.173 3.882 -3.121 1.00 0.66 H new ATOM 0 HB1 ALA A 83 -15.560 3.471 -5.501 1.00 0.64 H new ATOM 0 HB2 ALA A 83 -13.823 3.581 -5.128 1.00 0.64 H new ATOM 0 HB3 ALA A 83 -14.575 1.992 -5.410 1.00 0.64 H new ATOM 1241 N GLU A 84 -16.135 0.904 -2.711 1.00 0.92 N ATOM 1242 CA GLU A 84 -17.197 0.006 -2.393 1.00 1.18 C ATOM 1243 C GLU A 84 -17.615 0.210 -0.922 1.00 1.28 C ATOM 1244 O GLU A 84 -18.629 -0.331 -0.465 1.00 1.63 O ATOM 1245 CB GLU A 84 -16.701 -1.425 -2.639 1.00 1.30 C ATOM 1246 CG GLU A 84 -17.700 -2.525 -2.380 1.00 1.61 C ATOM 1247 CD GLU A 84 -17.096 -3.877 -2.593 1.00 2.08 C ATOM 1248 OE1 GLU A 84 -16.504 -4.435 -1.651 1.00 2.66 O ATOM 1249 OE2 GLU A 84 -17.185 -4.410 -3.711 1.00 2.42 O ATOM 0 H GLU A 84 -15.215 0.555 -2.443 1.00 0.92 H new ATOM 0 HA GLU A 84 -18.070 0.193 -3.018 1.00 1.18 H new ATOM 0 HB2 GLU A 84 -16.368 -1.500 -3.674 1.00 1.30 H new ATOM 0 HB3 GLU A 84 -15.828 -1.599 -2.010 1.00 1.30 H new ATOM 0 HG2 GLU A 84 -18.070 -2.448 -1.358 1.00 1.61 H new ATOM 0 HG3 GLU A 84 -18.558 -2.401 -3.040 1.00 1.61 H new ATOM 1256 N ALA A 85 -16.861 1.021 -0.201 1.00 1.13 N ATOM 1257 CA ALA A 85 -17.131 1.253 1.199 1.00 1.33 C ATOM 1258 C ALA A 85 -17.997 2.489 1.390 1.00 1.71 C ATOM 1259 O ALA A 85 -17.508 3.591 1.632 1.00 2.30 O ATOM 1260 CB ALA A 85 -15.841 1.347 2.005 1.00 1.30 C ATOM 0 H ALA A 85 -16.056 1.529 -0.567 1.00 1.13 H new ATOM 0 HA ALA A 85 -17.688 0.396 1.577 1.00 1.33 H new ATOM 0 HB1 ALA A 85 -16.079 1.522 3.054 1.00 1.30 H new ATOM 0 HB2 ALA A 85 -15.284 0.415 1.910 1.00 1.30 H new ATOM 0 HB3 ALA A 85 -15.236 2.172 1.628 1.00 1.30 H new ATOM 1266 N ALA A 86 -19.271 2.312 1.210 1.00 2.12 N ATOM 1267 CA ALA A 86 -20.210 3.372 1.363 1.00 2.78 C ATOM 1268 C ALA A 86 -21.282 2.924 2.315 1.00 3.16 C ATOM 1269 O ALA A 86 -22.299 2.371 1.867 1.00 3.59 O ATOM 1270 CB ALA A 86 -20.797 3.770 0.015 1.00 3.57 C ATOM 1271 OXT ALA A 86 -21.084 3.056 3.536 1.00 3.56 O ATOM 0 H ALA A 86 -19.688 1.418 0.950 1.00 2.12 H new ATOM 0 HA ALA A 86 -19.713 4.254 1.768 1.00 2.78 H new ATOM 0 HB1 ALA A 86 -21.512 4.581 0.155 1.00 3.57 H new ATOM 0 HB2 ALA A 86 -19.997 4.101 -0.647 1.00 3.57 H new ATOM 0 HB3 ALA A 86 -21.303 2.913 -0.429 1.00 3.57 H new