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 -31:sc= 2.24 USER MOD Set 1.2: A 48 THR OG1 : rot -13:sc= 0.918 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 10:sc= 1.14 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 150:sc= 0 USER MOD Single : A 27 SER OG : rot 143:sc= 2.21 USER MOD Single : A 40 TYR OH : rot 151:sc= 0.645 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0339 USER MOD Single : A 46 MET CE :methyl -145:sc= -4.18! (180deg=-4.75!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00555 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.177 USER MOD Single : A 79 ASN : amide:sc= -0.96! X(o=-0.96!,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 14.485 -7.019 -1.183 1.00 1.52 N ATOM 31 CA THR A 3 13.455 -7.882 -0.701 1.00 1.28 C ATOM 32 C THR A 3 12.155 -7.357 -1.300 1.00 1.04 C ATOM 33 O THR A 3 11.701 -6.289 -0.960 1.00 1.23 O ATOM 34 CB THR A 3 13.443 -7.908 0.885 1.00 1.66 C ATOM 35 OG1 THR A 3 12.397 -8.754 1.391 1.00 2.10 O ATOM 36 CG2 THR A 3 13.355 -6.514 1.522 1.00 2.36 C ATOM 0 HA THR A 3 13.609 -8.919 -1.000 1.00 1.28 H new ATOM 0 HB THR A 3 14.408 -8.325 1.174 1.00 1.66 H new ATOM 0 HG1 THR A 3 12.418 -8.750 2.371 1.00 2.10 H new ATOM 0 HG21 THR A 3 13.351 -6.610 2.608 1.00 2.36 H new ATOM 0 HG22 THR A 3 14.214 -5.918 1.213 1.00 2.36 H new ATOM 0 HG23 THR A 3 12.437 -6.023 1.198 1.00 2.36 H new ATOM 44 N LEU A 4 11.617 -8.055 -2.259 1.00 0.77 N ATOM 45 CA LEU A 4 10.469 -7.543 -2.964 1.00 0.59 C ATOM 46 C LEU A 4 9.182 -8.180 -2.515 1.00 0.58 C ATOM 47 O LEU A 4 9.025 -9.407 -2.531 1.00 0.79 O ATOM 48 CB LEU A 4 10.641 -7.669 -4.480 1.00 0.63 C ATOM 49 CG LEU A 4 11.804 -6.877 -5.090 1.00 0.70 C ATOM 50 CD1 LEU A 4 11.870 -7.106 -6.584 1.00 0.86 C ATOM 51 CD2 LEU A 4 11.662 -5.390 -4.790 1.00 0.64 C ATOM 0 H LEU A 4 11.947 -8.969 -2.570 1.00 0.77 H new ATOM 0 HA LEU A 4 10.403 -6.484 -2.715 1.00 0.59 H new ATOM 0 HB2 LEU A 4 10.776 -8.723 -4.725 1.00 0.63 H new ATOM 0 HB3 LEU A 4 9.716 -7.347 -4.959 1.00 0.63 H new ATOM 0 HG LEU A 4 12.731 -7.231 -4.639 1.00 0.70 H new ATOM 0 HD11 LEU A 4 12.700 -6.537 -7.003 1.00 0.86 H new ATOM 0 HD12 LEU A 4 12.020 -8.167 -6.783 1.00 0.86 H new ATOM 0 HD13 LEU A 4 10.938 -6.779 -7.044 1.00 0.86 H new ATOM 0 HD21 LEU A 4 12.498 -4.848 -5.232 1.00 0.64 H new ATOM 0 HD22 LEU A 4 10.727 -5.021 -5.212 1.00 0.64 H new ATOM 0 HD23 LEU A 4 11.659 -5.235 -3.711 1.00 0.64 H new ATOM 63 N LEU A 5 8.270 -7.347 -2.088 1.00 0.53 N ATOM 64 CA LEU A 5 6.974 -7.802 -1.731 1.00 0.58 C ATOM 65 C LEU A 5 6.118 -7.902 -2.982 1.00 0.47 C ATOM 66 O LEU A 5 6.191 -7.042 -3.874 1.00 0.54 O ATOM 67 CB LEU A 5 6.339 -6.935 -0.588 1.00 0.85 C ATOM 68 CG LEU A 5 6.150 -5.405 -0.779 1.00 0.59 C ATOM 69 CD1 LEU A 5 5.030 -5.067 -1.741 1.00 0.85 C ATOM 70 CD2 LEU A 5 5.892 -4.741 0.556 1.00 1.27 C ATOM 0 H LEU A 5 8.414 -6.343 -1.982 1.00 0.53 H new ATOM 0 HA LEU A 5 7.042 -8.802 -1.302 1.00 0.58 H new ATOM 0 HB2 LEU A 5 5.358 -7.357 -0.370 1.00 0.85 H new ATOM 0 HB3 LEU A 5 6.952 -7.076 0.302 1.00 0.85 H new ATOM 0 HG LEU A 5 7.075 -5.026 -1.213 1.00 0.59 H new ATOM 0 HD11 LEU A 5 4.945 -3.984 -1.835 1.00 0.85 H new ATOM 0 HD12 LEU A 5 5.246 -5.500 -2.718 1.00 0.85 H new ATOM 0 HD13 LEU A 5 4.091 -5.473 -1.364 1.00 0.85 H new ATOM 0 HD21 LEU A 5 5.761 -3.669 0.410 1.00 1.27 H new ATOM 0 HD22 LEU A 5 4.990 -5.159 1.002 1.00 1.27 H new ATOM 0 HD23 LEU A 5 6.739 -4.916 1.219 1.00 1.27 H new ATOM 82 N THR A 6 5.375 -8.953 -3.073 1.00 0.43 N ATOM 83 CA THR A 6 4.543 -9.205 -4.199 1.00 0.48 C ATOM 84 C THR A 6 3.072 -8.894 -3.883 1.00 0.49 C ATOM 85 O THR A 6 2.781 -8.281 -2.838 1.00 0.52 O ATOM 86 CB THR A 6 4.758 -10.636 -4.782 1.00 0.58 C ATOM 87 OG1 THR A 6 4.703 -11.644 -3.740 1.00 0.64 O ATOM 88 CG2 THR A 6 6.100 -10.728 -5.500 1.00 0.76 C ATOM 0 H THR A 6 5.329 -9.674 -2.353 1.00 0.43 H new ATOM 0 HA THR A 6 4.842 -8.520 -4.993 1.00 0.48 H new ATOM 0 HB THR A 6 3.952 -10.821 -5.492 1.00 0.58 H new ATOM 0 HG1 THR A 6 4.393 -11.235 -2.905 1.00 0.64 H new ATOM 0 HG21 THR A 6 6.231 -11.734 -5.899 1.00 0.76 H new ATOM 0 HG22 THR A 6 6.126 -10.007 -6.317 1.00 0.76 H new ATOM 0 HG23 THR A 6 6.904 -10.509 -4.798 1.00 0.76 H new ATOM 96 N THR A 7 2.174 -9.291 -4.768 1.00 0.56 N ATOM 97 CA THR A 7 0.750 -9.023 -4.650 1.00 0.62 C ATOM 98 C THR A 7 0.158 -9.399 -3.277 1.00 0.64 C ATOM 99 O THR A 7 -0.425 -8.548 -2.611 1.00 0.73 O ATOM 100 CB THR A 7 0.016 -9.752 -5.777 1.00 0.74 C ATOM 101 OG1 THR A 7 0.625 -11.040 -5.965 1.00 1.34 O ATOM 102 CG2 THR A 7 0.102 -8.956 -7.066 1.00 1.19 C ATOM 0 H THR A 7 2.419 -9.819 -5.606 1.00 0.56 H new ATOM 0 HA THR A 7 0.612 -7.945 -4.737 1.00 0.62 H new ATOM 0 HB THR A 7 -1.035 -9.867 -5.510 1.00 0.74 H new ATOM 0 HG1 THR A 7 0.162 -11.519 -6.684 1.00 1.34 H new ATOM 0 HG21 THR A 7 -0.425 -9.488 -7.858 1.00 1.19 H new ATOM 0 HG22 THR A 7 -0.355 -7.977 -6.920 1.00 1.19 H new ATOM 0 HG23 THR A 7 1.148 -8.830 -7.347 1.00 1.19 H new ATOM 110 N ASP A 8 0.333 -10.642 -2.833 1.00 0.65 N ATOM 111 CA ASP A 8 -0.242 -11.062 -1.545 1.00 0.71 C ATOM 112 C ASP A 8 0.461 -10.400 -0.375 1.00 0.65 C ATOM 113 O ASP A 8 -0.155 -10.130 0.645 1.00 0.69 O ATOM 114 CB ASP A 8 -0.277 -12.585 -1.368 1.00 0.86 C ATOM 115 CG ASP A 8 -0.834 -13.000 -0.005 1.00 1.61 C ATOM 116 OD1 ASP A 8 -2.076 -13.080 0.164 1.00 1.74 O ATOM 117 OD2 ASP A 8 -0.034 -13.269 0.917 1.00 2.44 O ATOM 0 H ASP A 8 0.855 -11.365 -3.328 1.00 0.65 H new ATOM 0 HA ASP A 8 -1.278 -10.724 -1.559 1.00 0.71 H new ATOM 0 HB2 ASP A 8 -0.887 -13.026 -2.156 1.00 0.86 H new ATOM 0 HB3 ASP A 8 0.730 -12.985 -1.483 1.00 0.86 H new ATOM 122 N ASP A 9 1.735 -10.084 -0.541 1.00 0.60 N ATOM 123 CA ASP A 9 2.486 -9.395 0.523 1.00 0.61 C ATOM 124 C ASP A 9 1.848 -8.039 0.787 1.00 0.56 C ATOM 125 O ASP A 9 1.679 -7.626 1.939 1.00 0.62 O ATOM 126 CB ASP A 9 3.957 -9.184 0.160 1.00 0.64 C ATOM 127 CG ASP A 9 4.747 -10.448 -0.073 1.00 1.13 C ATOM 128 OD1 ASP A 9 5.236 -11.044 0.915 1.00 1.32 O ATOM 129 OD2 ASP A 9 4.858 -10.900 -1.211 1.00 2.06 O ATOM 0 H ASP A 9 2.273 -10.285 -1.384 1.00 0.60 H new ATOM 0 HA ASP A 9 2.449 -10.028 1.409 1.00 0.61 H new ATOM 0 HB2 ASP A 9 4.009 -8.571 -0.740 1.00 0.64 H new ATOM 0 HB3 ASP A 9 4.435 -8.618 0.960 1.00 0.64 H new ATOM 134 N LEU A 10 1.468 -7.363 -0.294 1.00 0.52 N ATOM 135 CA LEU A 10 0.778 -6.087 -0.201 1.00 0.51 C ATOM 136 C LEU A 10 -0.669 -6.312 0.255 1.00 0.52 C ATOM 137 O LEU A 10 -1.209 -5.539 1.029 1.00 0.58 O ATOM 138 CB LEU A 10 0.799 -5.359 -1.552 1.00 0.50 C ATOM 139 CG LEU A 10 0.145 -3.972 -1.573 1.00 0.51 C ATOM 140 CD1 LEU A 10 0.882 -3.009 -0.654 1.00 0.60 C ATOM 141 CD2 LEU A 10 0.090 -3.429 -2.986 1.00 0.56 C ATOM 0 H LEU A 10 1.629 -7.683 -1.249 1.00 0.52 H new ATOM 0 HA LEU A 10 1.293 -5.465 0.531 1.00 0.51 H new ATOM 0 HB2 LEU A 10 1.836 -5.256 -1.872 1.00 0.50 H new ATOM 0 HB3 LEU A 10 0.299 -5.987 -2.290 1.00 0.50 H new ATOM 0 HG LEU A 10 -0.876 -4.074 -1.205 1.00 0.51 H new ATOM 0 HD11 LEU A 10 0.399 -2.033 -0.687 1.00 0.60 H new ATOM 0 HD12 LEU A 10 0.859 -3.391 0.367 1.00 0.60 H new ATOM 0 HD13 LEU A 10 1.917 -2.913 -0.982 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -0.377 -2.444 -2.979 1.00 0.56 H new ATOM 0 HD22 LEU A 10 1.101 -3.348 -3.384 1.00 0.56 H new ATOM 0 HD23 LEU A 10 -0.494 -4.103 -3.613 1.00 0.56 H new ATOM 153 N ARG A 11 -1.267 -7.382 -0.238 1.00 0.51 N ATOM 154 CA ARG A 11 -2.629 -7.799 0.112 1.00 0.54 C ATOM 155 C ARG A 11 -2.783 -7.936 1.631 1.00 0.53 C ATOM 156 O ARG A 11 -3.735 -7.423 2.207 1.00 0.57 O ATOM 157 CB ARG A 11 -2.929 -9.130 -0.587 1.00 0.60 C ATOM 158 CG ARG A 11 -4.269 -9.770 -0.293 1.00 0.82 C ATOM 159 CD ARG A 11 -4.353 -11.106 -1.007 1.00 0.98 C ATOM 160 NE ARG A 11 -5.603 -11.826 -0.756 1.00 1.50 N ATOM 161 CZ ARG A 11 -5.684 -13.154 -0.576 1.00 2.13 C ATOM 162 NH1 ARG A 11 -4.580 -13.873 -0.404 1.00 2.32 N ATOM 163 NH2 ARG A 11 -6.868 -13.748 -0.520 1.00 3.08 N ATOM 0 H ARG A 11 -0.816 -8.004 -0.908 1.00 0.51 H new ATOM 0 HA ARG A 11 -3.340 -7.042 -0.221 1.00 0.54 H new ATOM 0 HB2 ARG A 11 -2.857 -8.972 -1.663 1.00 0.60 H new ATOM 0 HB3 ARG A 11 -2.147 -9.840 -0.316 1.00 0.60 H new ATOM 0 HG2 ARG A 11 -4.390 -9.910 0.781 1.00 0.82 H new ATOM 0 HG3 ARG A 11 -5.077 -9.117 -0.622 1.00 0.82 H new ATOM 0 HD2 ARG A 11 -4.246 -10.943 -2.079 1.00 0.98 H new ATOM 0 HD3 ARG A 11 -3.515 -11.729 -0.694 1.00 0.98 H new ATOM 0 HE ARG A 11 -6.467 -11.285 -0.715 1.00 1.50 H new ATOM 0 HH11 ARG A 11 -3.668 -13.416 -0.408 1.00 2.32 H new ATOM 0 HH12 ARG A 11 -4.644 -14.882 -0.267 1.00 2.32 H new ATOM 0 HH21 ARG A 11 -7.721 -13.196 -0.614 1.00 3.08 H new ATOM 0 HH22 ARG A 11 -6.926 -14.757 -0.383 1.00 3.08 H new ATOM 177 N ARG A 12 -1.827 -8.611 2.268 1.00 0.54 N ATOM 178 CA ARG A 12 -1.838 -8.778 3.725 1.00 0.59 C ATOM 179 C ARG A 12 -1.654 -7.417 4.386 1.00 0.61 C ATOM 180 O ARG A 12 -2.379 -7.053 5.316 1.00 0.66 O ATOM 181 CB ARG A 12 -0.685 -9.671 4.199 1.00 0.72 C ATOM 182 CG ARG A 12 -0.575 -11.040 3.559 1.00 0.94 C ATOM 183 CD ARG A 12 0.616 -11.769 4.146 1.00 1.09 C ATOM 184 NE ARG A 12 0.991 -12.995 3.421 1.00 1.71 N ATOM 185 CZ ARG A 12 1.972 -13.824 3.828 1.00 2.06 C ATOM 186 NH1 ARG A 12 2.540 -13.640 5.016 1.00 1.90 N ATOM 187 NH2 ARG A 12 2.385 -14.820 3.055 1.00 3.10 N ATOM 0 H ARG A 12 -1.035 -9.052 1.801 1.00 0.54 H new ATOM 0 HA ARG A 12 -2.789 -9.237 3.996 1.00 0.59 H new ATOM 0 HB2 ARG A 12 0.250 -9.139 4.026 1.00 0.72 H new ATOM 0 HB3 ARG A 12 -0.780 -9.806 5.276 1.00 0.72 H new ATOM 0 HG2 ARG A 12 -1.488 -11.610 3.733 1.00 0.94 H new ATOM 0 HG3 ARG A 12 -0.461 -10.942 2.479 1.00 0.94 H new ATOM 0 HD2 ARG A 12 1.471 -11.093 4.160 1.00 1.09 H new ATOM 0 HD3 ARG A 12 0.396 -12.026 5.182 1.00 1.09 H new ATOM 0 HE ARG A 12 0.483 -13.228 2.568 1.00 1.71 H new ATOM 0 HH11 ARG A 12 2.233 -12.874 5.615 1.00 1.90 H new ATOM 0 HH12 ARG A 12 3.283 -14.265 5.328 1.00 1.90 H new ATOM 0 HH21 ARG A 12 1.959 -14.966 2.140 1.00 3.10 H new ATOM 0 HH22 ARG A 12 3.129 -15.440 3.376 1.00 3.10 H new ATOM 201 N ALA A 13 -0.691 -6.679 3.861 1.00 0.66 N ATOM 202 CA ALA A 13 -0.279 -5.384 4.374 1.00 0.77 C ATOM 203 C ALA A 13 -1.408 -4.361 4.363 1.00 0.66 C ATOM 204 O ALA A 13 -1.546 -3.577 5.287 1.00 0.70 O ATOM 205 CB ALA A 13 0.888 -4.877 3.557 1.00 0.95 C ATOM 0 H ALA A 13 -0.159 -6.973 3.042 1.00 0.66 H new ATOM 0 HA ALA A 13 0.013 -5.517 5.416 1.00 0.77 H new ATOM 0 HB1 ALA A 13 1.203 -3.905 3.936 1.00 0.95 H new ATOM 0 HB2 ALA A 13 1.717 -5.581 3.631 1.00 0.95 H new ATOM 0 HB3 ALA A 13 0.587 -4.779 2.514 1.00 0.95 H new ATOM 211 N LEU A 14 -2.209 -4.383 3.323 1.00 0.58 N ATOM 212 CA LEU A 14 -3.309 -3.452 3.187 1.00 0.57 C ATOM 213 C LEU A 14 -4.358 -3.716 4.275 1.00 0.56 C ATOM 214 O LEU A 14 -4.915 -2.782 4.868 1.00 0.77 O ATOM 215 CB LEU A 14 -3.926 -3.575 1.789 1.00 0.59 C ATOM 216 CG LEU A 14 -4.923 -2.488 1.390 1.00 0.69 C ATOM 217 CD1 LEU A 14 -4.242 -1.126 1.365 1.00 1.09 C ATOM 218 CD2 LEU A 14 -5.532 -2.801 0.037 1.00 1.40 C ATOM 0 H LEU A 14 -2.119 -5.043 2.550 1.00 0.58 H new ATOM 0 HA LEU A 14 -2.938 -2.434 3.311 1.00 0.57 H new ATOM 0 HB2 LEU A 14 -3.118 -3.583 1.058 1.00 0.59 H new ATOM 0 HB3 LEU A 14 -4.427 -4.541 1.720 1.00 0.59 H new ATOM 0 HG LEU A 14 -5.722 -2.461 2.131 1.00 0.69 H new ATOM 0 HD11 LEU A 14 -4.966 -0.363 1.079 1.00 1.09 H new ATOM 0 HD12 LEU A 14 -3.847 -0.899 2.355 1.00 1.09 H new ATOM 0 HD13 LEU A 14 -3.426 -1.141 0.643 1.00 1.09 H new ATOM 0 HD21 LEU A 14 -6.240 -2.018 -0.233 1.00 1.40 H new ATOM 0 HD22 LEU A 14 -4.744 -2.852 -0.714 1.00 1.40 H new ATOM 0 HD23 LEU A 14 -6.051 -3.758 0.084 1.00 1.40 H new ATOM 230 N VAL A 15 -4.546 -4.994 4.600 1.00 0.46 N ATOM 231 CA VAL A 15 -5.521 -5.418 5.606 1.00 0.49 C ATOM 232 C VAL A 15 -5.118 -4.933 7.018 1.00 0.52 C ATOM 233 O VAL A 15 -5.953 -4.825 7.920 1.00 0.66 O ATOM 234 CB VAL A 15 -5.759 -6.972 5.592 1.00 0.55 C ATOM 235 CG1 VAL A 15 -6.809 -7.403 6.609 1.00 0.67 C ATOM 236 CG2 VAL A 15 -6.174 -7.434 4.208 1.00 0.59 C ATOM 0 H VAL A 15 -4.029 -5.764 4.175 1.00 0.46 H new ATOM 0 HA VAL A 15 -6.468 -4.948 5.341 1.00 0.49 H new ATOM 0 HB VAL A 15 -4.814 -7.439 5.867 1.00 0.55 H new ATOM 0 HG11 VAL A 15 -6.939 -8.484 6.562 1.00 0.67 H new ATOM 0 HG12 VAL A 15 -6.484 -7.120 7.610 1.00 0.67 H new ATOM 0 HG13 VAL A 15 -7.757 -6.914 6.383 1.00 0.67 H new ATOM 0 HG21 VAL A 15 -6.334 -8.512 4.217 1.00 0.59 H new ATOM 0 HG22 VAL A 15 -7.097 -6.932 3.919 1.00 0.59 H new ATOM 0 HG23 VAL A 15 -5.389 -7.190 3.492 1.00 0.59 H new ATOM 246 N GLU A 16 -3.861 -4.542 7.172 1.00 0.48 N ATOM 247 CA GLU A 16 -3.372 -4.035 8.443 1.00 0.54 C ATOM 248 C GLU A 16 -4.054 -2.729 8.794 1.00 0.51 C ATOM 249 O GLU A 16 -4.237 -2.403 9.961 1.00 0.63 O ATOM 250 CB GLU A 16 -1.861 -3.872 8.417 1.00 0.64 C ATOM 251 CG GLU A 16 -1.143 -5.179 8.170 1.00 0.83 C ATOM 252 CD GLU A 16 -1.396 -6.206 9.246 1.00 1.12 C ATOM 253 OE1 GLU A 16 -2.521 -6.692 9.346 1.00 1.94 O ATOM 254 OE2 GLU A 16 -0.468 -6.550 10.008 1.00 1.14 O ATOM 0 H GLU A 16 -3.161 -4.567 6.430 1.00 0.48 H new ATOM 0 HA GLU A 16 -3.615 -4.763 9.217 1.00 0.54 H new ATOM 0 HB2 GLU A 16 -1.589 -3.159 7.639 1.00 0.64 H new ATOM 0 HB3 GLU A 16 -1.528 -3.451 9.366 1.00 0.64 H new ATOM 0 HG2 GLU A 16 -1.458 -5.584 7.208 1.00 0.83 H new ATOM 0 HG3 GLU A 16 -0.072 -4.991 8.101 1.00 0.83 H new ATOM 261 N SER A 17 -4.468 -2.010 7.779 1.00 0.49 N ATOM 262 CA SER A 17 -5.165 -0.770 7.960 1.00 0.58 C ATOM 263 C SER A 17 -6.669 -0.955 7.896 1.00 0.66 C ATOM 264 O SER A 17 -7.423 -0.007 8.060 1.00 0.98 O ATOM 265 CB SER A 17 -4.688 0.246 6.962 1.00 0.62 C ATOM 266 OG SER A 17 -3.305 0.441 7.136 1.00 1.38 O ATOM 0 H SER A 17 -4.328 -2.273 6.804 1.00 0.49 H new ATOM 0 HA SER A 17 -4.939 -0.398 8.959 1.00 0.58 H new ATOM 0 HB2 SER A 17 -4.896 -0.095 5.948 1.00 0.62 H new ATOM 0 HB3 SER A 17 -5.221 1.187 7.097 1.00 0.62 H new ATOM 0 HG SER A 17 -3.071 0.303 8.078 1.00 1.38 H new ATOM 272 N ALA A 18 -7.105 -2.174 7.642 1.00 0.65 N ATOM 273 CA ALA A 18 -8.528 -2.470 7.636 1.00 0.88 C ATOM 274 C ALA A 18 -8.995 -2.630 9.069 1.00 0.85 C ATOM 275 O ALA A 18 -10.159 -2.410 9.392 1.00 1.04 O ATOM 276 CB ALA A 18 -8.823 -3.739 6.839 1.00 1.13 C ATOM 0 H ALA A 18 -6.501 -2.971 7.438 1.00 0.65 H new ATOM 0 HA ALA A 18 -9.063 -1.650 7.157 1.00 0.88 H new ATOM 0 HB1 ALA A 18 -9.895 -3.936 6.852 1.00 1.13 H new ATOM 0 HB2 ALA A 18 -8.490 -3.608 5.809 1.00 1.13 H new ATOM 0 HB3 ALA A 18 -8.294 -4.581 7.286 1.00 1.13 H new ATOM 282 N GLY A 19 -8.062 -3.001 9.926 1.00 0.79 N ATOM 283 CA GLY A 19 -8.349 -3.199 11.320 1.00 0.97 C ATOM 284 C GLY A 19 -8.455 -4.645 11.617 1.00 1.18 C ATOM 285 O GLY A 19 -7.707 -5.194 12.436 1.00 1.57 O ATOM 0 H GLY A 19 -7.090 -3.171 9.669 1.00 0.79 H new ATOM 0 HA2 GLY A 19 -7.563 -2.752 11.928 1.00 0.97 H new ATOM 0 HA3 GLY A 19 -9.280 -2.697 11.583 1.00 0.97 H new ATOM 289 N GLU A 20 -9.380 -5.253 10.965 1.00 1.43 N ATOM 290 CA GLU A 20 -9.626 -6.650 11.042 1.00 1.75 C ATOM 291 C GLU A 20 -9.904 -7.128 9.653 1.00 1.79 C ATOM 292 O GLU A 20 -10.147 -6.323 8.745 1.00 2.30 O ATOM 293 CB GLU A 20 -10.842 -6.932 11.926 1.00 2.40 C ATOM 294 CG GLU A 20 -10.626 -6.656 13.392 1.00 3.14 C ATOM 295 CD GLU A 20 -11.900 -6.706 14.177 1.00 3.62 C ATOM 296 OE1 GLU A 20 -12.476 -7.797 14.297 1.00 4.15 O ATOM 297 OE2 GLU A 20 -12.356 -5.659 14.695 1.00 3.97 O ATOM 0 H GLU A 20 -10.017 -4.768 10.333 1.00 1.43 H new ATOM 0 HA GLU A 20 -8.765 -7.161 11.474 1.00 1.75 H new ATOM 0 HB2 GLU A 20 -11.679 -6.328 11.575 1.00 2.40 H new ATOM 0 HB3 GLU A 20 -11.130 -7.976 11.804 1.00 2.40 H new ATOM 0 HG2 GLU A 20 -9.925 -7.386 13.797 1.00 3.14 H new ATOM 0 HG3 GLU A 20 -10.168 -5.674 13.510 1.00 3.14 H new ATOM 304 N THR A 21 -9.913 -8.394 9.480 1.00 1.91 N ATOM 305 CA THR A 21 -10.224 -8.973 8.219 1.00 2.43 C ATOM 306 C THR A 21 -11.734 -9.253 8.215 1.00 2.45 C ATOM 307 O THR A 21 -12.192 -10.400 8.250 1.00 3.06 O ATOM 308 CB THR A 21 -9.416 -10.262 7.995 1.00 3.22 C ATOM 309 OG1 THR A 21 -8.025 -10.015 8.310 1.00 3.77 O ATOM 310 CG2 THR A 21 -9.511 -10.697 6.540 1.00 3.83 C ATOM 0 H THR A 21 -9.703 -9.070 10.214 1.00 1.91 H new ATOM 0 HA THR A 21 -9.961 -8.297 7.405 1.00 2.43 H new ATOM 0 HB THR A 21 -9.820 -11.045 8.637 1.00 3.22 H new ATOM 0 HG1 THR A 21 -7.507 -10.835 8.170 1.00 3.77 H new ATOM 0 HG21 THR A 21 -8.935 -11.611 6.395 1.00 3.83 H new ATOM 0 HG22 THR A 21 -10.554 -10.881 6.283 1.00 3.83 H new ATOM 0 HG23 THR A 21 -9.113 -9.911 5.898 1.00 3.83 H new ATOM 318 N ASP A 22 -12.479 -8.173 8.287 1.00 2.17 N ATOM 319 CA ASP A 22 -13.930 -8.197 8.351 1.00 2.48 C ATOM 320 C ASP A 22 -14.487 -8.653 7.018 1.00 2.10 C ATOM 321 O ASP A 22 -15.320 -9.564 6.946 1.00 2.55 O ATOM 322 CB ASP A 22 -14.437 -6.791 8.690 1.00 3.04 C ATOM 323 CG ASP A 22 -15.934 -6.704 8.846 1.00 3.67 C ATOM 324 OD1 ASP A 22 -16.640 -6.557 7.834 1.00 3.96 O ATOM 325 OD2 ASP A 22 -16.441 -6.826 9.980 1.00 4.25 O ATOM 0 H ASP A 22 -12.088 -7.231 8.303 1.00 2.17 H new ATOM 0 HA ASP A 22 -14.260 -8.892 9.123 1.00 2.48 H new ATOM 0 HB2 ASP A 22 -13.965 -6.458 9.614 1.00 3.04 H new ATOM 0 HB3 ASP A 22 -14.122 -6.103 7.906 1.00 3.04 H new ATOM 330 N GLY A 23 -13.993 -8.037 5.980 1.00 1.96 N ATOM 331 CA GLY A 23 -14.382 -8.361 4.641 1.00 2.00 C ATOM 332 C GLY A 23 -13.484 -7.638 3.696 1.00 1.94 C ATOM 333 O GLY A 23 -13.924 -6.829 2.886 1.00 2.20 O ATOM 0 H GLY A 23 -13.302 -7.289 6.043 1.00 1.96 H new ATOM 0 HA2 GLY A 23 -14.316 -9.437 4.478 1.00 2.00 H new ATOM 0 HA3 GLY A 23 -15.420 -8.076 4.469 1.00 2.00 H new ATOM 337 N THR A 24 -12.220 -7.909 3.818 1.00 1.83 N ATOM 338 CA THR A 24 -11.217 -7.211 3.080 1.00 1.80 C ATOM 339 C THR A 24 -10.507 -8.182 2.137 1.00 1.84 C ATOM 340 O THR A 24 -9.424 -8.716 2.433 1.00 1.90 O ATOM 341 CB THR A 24 -10.226 -6.563 4.065 1.00 1.83 C ATOM 342 OG1 THR A 24 -10.988 -5.912 5.104 1.00 1.96 O ATOM 343 CG2 THR A 24 -9.368 -5.515 3.361 1.00 1.85 C ATOM 0 H THR A 24 -11.854 -8.630 4.440 1.00 1.83 H new ATOM 0 HA THR A 24 -11.670 -6.424 2.477 1.00 1.80 H new ATOM 0 HB THR A 24 -9.572 -7.333 4.474 1.00 1.83 H new ATOM 0 HG1 THR A 24 -10.475 -5.919 5.939 1.00 1.96 H new ATOM 0 HG21 THR A 24 -8.676 -5.071 4.077 1.00 1.85 H new ATOM 0 HG22 THR A 24 -8.805 -5.987 2.556 1.00 1.85 H new ATOM 0 HG23 THR A 24 -10.010 -4.738 2.947 1.00 1.85 H new ATOM 351 N ASP A 25 -11.174 -8.489 1.059 1.00 1.96 N ATOM 352 CA ASP A 25 -10.666 -9.405 0.077 1.00 2.09 C ATOM 353 C ASP A 25 -10.041 -8.694 -1.078 1.00 1.62 C ATOM 354 O ASP A 25 -10.712 -8.032 -1.866 1.00 1.86 O ATOM 355 CB ASP A 25 -11.736 -10.374 -0.428 1.00 2.69 C ATOM 356 CG ASP A 25 -11.915 -11.565 0.463 1.00 3.10 C ATOM 357 OD1 ASP A 25 -12.652 -11.447 1.477 1.00 3.40 O ATOM 358 OD2 ASP A 25 -11.342 -12.641 0.186 1.00 3.55 O ATOM 0 H ASP A 25 -12.093 -8.107 0.836 1.00 1.96 H new ATOM 0 HA ASP A 25 -9.897 -9.987 0.585 1.00 2.09 H new ATOM 0 HB2 ASP A 25 -12.685 -9.846 -0.514 1.00 2.69 H new ATOM 0 HB3 ASP A 25 -11.468 -10.713 -1.429 1.00 2.69 H new ATOM 363 N LEU A 26 -8.753 -8.820 -1.163 1.00 1.28 N ATOM 364 CA LEU A 26 -7.985 -8.305 -2.274 1.00 0.95 C ATOM 365 C LEU A 26 -7.624 -9.499 -3.148 1.00 1.02 C ATOM 366 O LEU A 26 -6.722 -9.457 -3.975 1.00 1.36 O ATOM 367 CB LEU A 26 -6.705 -7.578 -1.791 1.00 1.16 C ATOM 368 CG LEU A 26 -6.872 -6.306 -0.921 1.00 0.73 C ATOM 369 CD1 LEU A 26 -7.882 -5.338 -1.519 1.00 0.86 C ATOM 370 CD2 LEU A 26 -7.197 -6.631 0.531 1.00 1.05 C ATOM 0 H LEU A 26 -8.189 -9.290 -0.455 1.00 1.28 H new ATOM 0 HA LEU A 26 -8.568 -7.570 -2.829 1.00 0.95 H new ATOM 0 HB2 LEU A 26 -6.109 -8.293 -1.225 1.00 1.16 H new ATOM 0 HB3 LEU A 26 -6.124 -7.305 -2.672 1.00 1.16 H new ATOM 0 HG LEU A 26 -5.904 -5.806 -0.920 1.00 0.73 H new ATOM 0 HD11 LEU A 26 -7.969 -4.461 -0.878 1.00 0.86 H new ATOM 0 HD12 LEU A 26 -7.549 -5.032 -2.511 1.00 0.86 H new ATOM 0 HD13 LEU A 26 -8.853 -5.827 -1.597 1.00 0.86 H new ATOM 0 HD21 LEU A 26 -7.304 -5.705 1.096 1.00 1.05 H new ATOM 0 HD22 LEU A 26 -8.129 -7.194 0.578 1.00 1.05 H new ATOM 0 HD23 LEU A 26 -6.391 -7.227 0.960 1.00 1.05 H new ATOM 382 N SER A 27 -8.366 -10.560 -2.914 1.00 1.03 N ATOM 383 CA SER A 27 -8.246 -11.823 -3.576 1.00 1.23 C ATOM 384 C SER A 27 -8.552 -11.664 -5.070 1.00 1.39 C ATOM 385 O SER A 27 -9.627 -11.177 -5.446 1.00 2.16 O ATOM 386 CB SER A 27 -9.257 -12.757 -2.914 1.00 1.77 C ATOM 387 OG SER A 27 -9.170 -12.625 -1.482 1.00 2.39 O ATOM 0 H SER A 27 -9.109 -10.554 -2.215 1.00 1.03 H new ATOM 0 HA SER A 27 -7.236 -12.223 -3.492 1.00 1.23 H new ATOM 0 HB2 SER A 27 -10.265 -12.516 -3.251 1.00 1.77 H new ATOM 0 HB3 SER A 27 -9.061 -13.788 -3.207 1.00 1.77 H new ATOM 0 HG SER A 27 -10.067 -12.688 -1.093 1.00 2.39 H new ATOM 393 N GLY A 28 -7.608 -12.033 -5.896 1.00 1.32 N ATOM 394 CA GLY A 28 -7.756 -11.896 -7.322 1.00 1.62 C ATOM 395 C GLY A 28 -6.894 -10.765 -7.807 1.00 1.42 C ATOM 396 O GLY A 28 -5.656 -10.878 -7.807 1.00 1.77 O ATOM 0 H GLY A 28 -6.718 -12.435 -5.601 1.00 1.32 H new ATOM 0 HA2 GLY A 28 -7.472 -12.823 -7.819 1.00 1.62 H new ATOM 0 HA3 GLY A 28 -8.799 -11.706 -7.574 1.00 1.62 H new ATOM 400 N ASP A 29 -7.512 -9.678 -8.191 1.00 1.39 N ATOM 401 CA ASP A 29 -6.780 -8.500 -8.584 1.00 1.21 C ATOM 402 C ASP A 29 -7.312 -7.304 -7.880 1.00 0.96 C ATOM 403 O ASP A 29 -8.512 -7.039 -7.899 1.00 1.17 O ATOM 404 CB ASP A 29 -6.779 -8.232 -10.089 1.00 1.44 C ATOM 405 CG ASP A 29 -6.016 -6.950 -10.396 1.00 1.84 C ATOM 406 OD1 ASP A 29 -4.862 -6.829 -9.937 1.00 2.28 O ATOM 407 OD2 ASP A 29 -6.565 -6.033 -11.039 1.00 2.30 O ATOM 0 H ASP A 29 -8.526 -9.583 -8.240 1.00 1.39 H new ATOM 0 HA ASP A 29 -5.746 -8.695 -8.299 1.00 1.21 H new ATOM 0 HB2 ASP A 29 -6.322 -9.070 -10.614 1.00 1.44 H new ATOM 0 HB3 ASP A 29 -7.804 -8.149 -10.451 1.00 1.44 H new ATOM 412 N PHE A 30 -6.439 -6.599 -7.254 1.00 0.73 N ATOM 413 CA PHE A 30 -6.796 -5.401 -6.574 1.00 0.56 C ATOM 414 C PHE A 30 -5.908 -4.278 -7.046 1.00 0.46 C ATOM 415 O PHE A 30 -6.004 -3.181 -6.574 1.00 0.43 O ATOM 416 CB PHE A 30 -6.676 -5.582 -5.045 1.00 0.53 C ATOM 417 CG PHE A 30 -5.270 -5.839 -4.524 1.00 0.55 C ATOM 418 CD1 PHE A 30 -4.675 -7.087 -4.650 1.00 0.74 C ATOM 419 CD2 PHE A 30 -4.555 -4.829 -3.898 1.00 0.55 C ATOM 420 CE1 PHE A 30 -3.402 -7.319 -4.167 1.00 0.89 C ATOM 421 CE2 PHE A 30 -3.284 -5.057 -3.411 1.00 0.68 C ATOM 422 CZ PHE A 30 -2.707 -6.301 -3.546 1.00 0.83 C ATOM 0 H PHE A 30 -5.449 -6.837 -7.197 1.00 0.73 H new ATOM 0 HA PHE A 30 -7.835 -5.159 -6.799 1.00 0.56 H new ATOM 0 HB2 PHE A 30 -7.067 -4.688 -4.559 1.00 0.53 H new ATOM 0 HB3 PHE A 30 -7.314 -6.413 -4.744 1.00 0.53 H new ATOM 0 HD1 PHE A 30 -5.215 -7.888 -5.133 1.00 0.74 H new ATOM 0 HD2 PHE A 30 -4.999 -3.850 -3.790 1.00 0.55 H new ATOM 0 HE1 PHE A 30 -2.952 -8.295 -4.275 1.00 0.89 H new ATOM 0 HE2 PHE A 30 -2.741 -4.260 -2.924 1.00 0.68 H new ATOM 0 HZ PHE A 30 -1.712 -6.479 -3.166 1.00 0.83 H new ATOM 432 N LEU A 31 -5.068 -4.556 -8.021 1.00 0.49 N ATOM 433 CA LEU A 31 -4.083 -3.593 -8.446 1.00 0.49 C ATOM 434 C LEU A 31 -4.655 -2.575 -9.426 1.00 0.49 C ATOM 435 O LEU A 31 -4.188 -1.437 -9.476 1.00 0.58 O ATOM 436 CB LEU A 31 -2.835 -4.281 -9.045 1.00 0.59 C ATOM 437 CG LEU A 31 -1.962 -5.161 -8.107 1.00 0.86 C ATOM 438 CD1 LEU A 31 -1.509 -4.402 -6.878 1.00 1.08 C ATOM 439 CD2 LEU A 31 -2.642 -6.466 -7.722 1.00 1.85 C ATOM 0 H LEU A 31 -5.050 -5.439 -8.531 1.00 0.49 H new ATOM 0 HA LEU A 31 -3.777 -3.051 -7.551 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -3.165 -4.905 -9.876 1.00 0.59 H new ATOM 0 HB3 LEU A 31 -2.195 -3.504 -9.464 1.00 0.59 H new ATOM 0 HG LEU A 31 -1.075 -5.423 -8.684 1.00 0.86 H new ATOM 0 HD11 LEU A 31 -0.902 -5.055 -6.251 1.00 1.08 H new ATOM 0 HD12 LEU A 31 -0.918 -3.538 -7.181 1.00 1.08 H new ATOM 0 HD13 LEU A 31 -2.380 -4.066 -6.316 1.00 1.08 H new ATOM 0 HD21 LEU A 31 -1.986 -7.039 -7.067 1.00 1.85 H new ATOM 0 HD22 LEU A 31 -3.576 -6.250 -7.202 1.00 1.85 H new ATOM 0 HD23 LEU A 31 -2.853 -7.045 -8.621 1.00 1.85 H new ATOM 451 N ASP A 32 -5.662 -2.977 -10.192 1.00 0.49 N ATOM 452 CA ASP A 32 -6.263 -2.075 -11.195 1.00 0.67 C ATOM 453 C ASP A 32 -7.331 -1.168 -10.588 1.00 0.57 C ATOM 454 O ASP A 32 -7.546 -0.036 -11.060 1.00 0.74 O ATOM 455 CB ASP A 32 -6.873 -2.881 -12.354 1.00 0.94 C ATOM 456 CG ASP A 32 -7.462 -2.009 -13.458 1.00 1.76 C ATOM 457 OD1 ASP A 32 -6.723 -1.566 -14.359 1.00 2.55 O ATOM 458 OD2 ASP A 32 -8.676 -1.732 -13.422 1.00 2.27 O ATOM 0 H ASP A 32 -6.082 -3.905 -10.148 1.00 0.49 H new ATOM 0 HA ASP A 32 -5.459 -1.444 -11.572 1.00 0.67 H new ATOM 0 HB2 ASP A 32 -6.105 -3.525 -12.782 1.00 0.94 H new ATOM 0 HB3 ASP A 32 -7.653 -3.533 -11.961 1.00 0.94 H new ATOM 463 N LEU A 33 -7.969 -1.638 -9.532 1.00 0.51 N ATOM 464 CA LEU A 33 -9.089 -0.921 -8.932 1.00 0.60 C ATOM 465 C LEU A 33 -8.666 0.339 -8.179 1.00 0.50 C ATOM 466 O LEU A 33 -7.479 0.576 -7.946 1.00 0.60 O ATOM 467 CB LEU A 33 -9.994 -1.863 -8.084 1.00 0.85 C ATOM 468 CG LEU A 33 -9.342 -2.710 -6.961 1.00 0.69 C ATOM 469 CD1 LEU A 33 -8.877 -1.862 -5.782 1.00 1.35 C ATOM 470 CD2 LEU A 33 -10.303 -3.787 -6.489 1.00 1.12 C ATOM 0 H LEU A 33 -7.733 -2.515 -9.068 1.00 0.51 H new ATOM 0 HA LEU A 33 -9.701 -0.562 -9.759 1.00 0.60 H new ATOM 0 HB2 LEU A 33 -10.772 -1.251 -7.627 1.00 0.85 H new ATOM 0 HB3 LEU A 33 -10.491 -2.550 -8.770 1.00 0.85 H new ATOM 0 HG LEU A 33 -8.454 -3.177 -7.388 1.00 0.69 H new ATOM 0 HD11 LEU A 33 -8.428 -2.506 -5.025 1.00 1.35 H new ATOM 0 HD12 LEU A 33 -8.139 -1.136 -6.124 1.00 1.35 H new ATOM 0 HD13 LEU A 33 -9.730 -1.337 -5.352 1.00 1.35 H new ATOM 0 HD21 LEU A 33 -9.832 -4.374 -5.700 1.00 1.12 H new ATOM 0 HD22 LEU A 33 -11.210 -3.322 -6.103 1.00 1.12 H new ATOM 0 HD23 LEU A 33 -10.557 -4.439 -7.324 1.00 1.12 H new ATOM 482 N ARG A 34 -9.635 1.145 -7.818 1.00 0.50 N ATOM 483 CA ARG A 34 -9.379 2.368 -7.112 1.00 0.51 C ATOM 484 C ARG A 34 -9.483 2.117 -5.640 1.00 0.47 C ATOM 485 O ARG A 34 -10.139 1.171 -5.209 1.00 0.58 O ATOM 486 CB ARG A 34 -10.398 3.448 -7.504 1.00 0.67 C ATOM 487 CG ARG A 34 -10.378 3.810 -8.967 1.00 0.85 C ATOM 488 CD ARG A 34 -9.030 4.356 -9.361 1.00 0.93 C ATOM 489 NE ARG A 34 -8.943 4.653 -10.785 1.00 1.72 N ATOM 490 CZ ARG A 34 -7.811 4.966 -11.406 1.00 2.04 C ATOM 491 NH1 ARG A 34 -6.686 5.050 -10.703 1.00 1.66 N ATOM 492 NH2 ARG A 34 -7.803 5.199 -12.714 1.00 3.07 N ATOM 0 H ARG A 34 -10.622 0.968 -8.007 1.00 0.50 H new ATOM 0 HA ARG A 34 -8.379 2.715 -7.371 1.00 0.51 H new ATOM 0 HB2 ARG A 34 -11.397 3.103 -7.240 1.00 0.67 H new ATOM 0 HB3 ARG A 34 -10.205 4.345 -6.916 1.00 0.67 H new ATOM 0 HG2 ARG A 34 -10.610 2.930 -9.568 1.00 0.85 H new ATOM 0 HG3 ARG A 34 -11.151 4.550 -9.174 1.00 0.85 H new ATOM 0 HD2 ARG A 34 -8.828 5.263 -8.791 1.00 0.93 H new ATOM 0 HD3 ARG A 34 -8.258 3.634 -9.096 1.00 0.93 H new ATOM 0 HE ARG A 34 -9.800 4.619 -11.337 1.00 1.72 H new ATOM 0 HH11 ARG A 34 -6.698 4.875 -9.698 1.00 1.66 H new ATOM 0 HH12 ARG A 34 -5.811 5.289 -11.168 1.00 1.66 H new ATOM 0 HH21 ARG A 34 -8.670 5.138 -13.248 1.00 3.07 H new ATOM 0 HH22 ARG A 34 -6.930 5.439 -13.184 1.00 3.07 H new ATOM 506 N PHE A 35 -8.866 2.960 -4.866 1.00 0.42 N ATOM 507 CA PHE A 35 -8.949 2.848 -3.424 1.00 0.42 C ATOM 508 C PHE A 35 -10.361 3.131 -2.957 1.00 0.53 C ATOM 509 O PHE A 35 -10.834 2.547 -1.989 1.00 0.61 O ATOM 510 CB PHE A 35 -7.926 3.739 -2.739 1.00 0.41 C ATOM 511 CG PHE A 35 -6.529 3.271 -2.972 1.00 0.39 C ATOM 512 CD1 PHE A 35 -5.995 2.210 -2.258 1.00 0.43 C ATOM 513 CD2 PHE A 35 -5.738 3.907 -3.910 1.00 0.44 C ATOM 514 CE1 PHE A 35 -4.708 1.804 -2.486 1.00 0.51 C ATOM 515 CE2 PHE A 35 -4.447 3.499 -4.136 1.00 0.51 C ATOM 516 CZ PHE A 35 -3.952 2.365 -3.382 1.00 0.53 C ATOM 0 H PHE A 35 -8.297 3.737 -5.201 1.00 0.42 H new ATOM 0 HA PHE A 35 -8.706 1.824 -3.140 1.00 0.42 H new ATOM 0 HB2 PHE A 35 -8.032 4.760 -3.106 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -8.126 3.763 -1.668 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.597 1.702 -1.519 1.00 0.43 H new ATOM 0 HD2 PHE A 35 -6.141 4.736 -4.473 1.00 0.44 H new ATOM 0 HE1 PHE A 35 -4.307 0.989 -1.901 1.00 0.51 H new ATOM 0 HE2 PHE A 35 -3.820 4.007 -4.853 1.00 0.51 H new ATOM 0 HZ PHE A 35 -2.957 1.987 -3.564 1.00 0.53 H new ATOM 526 N GLU A 36 -11.032 3.998 -3.687 1.00 0.64 N ATOM 527 CA GLU A 36 -12.432 4.310 -3.485 1.00 0.83 C ATOM 528 C GLU A 36 -13.286 3.027 -3.560 1.00 0.92 C ATOM 529 O GLU A 36 -14.209 2.843 -2.763 1.00 1.05 O ATOM 530 CB GLU A 36 -12.874 5.309 -4.553 1.00 1.00 C ATOM 531 CG GLU A 36 -14.313 5.744 -4.443 1.00 1.56 C ATOM 532 CD GLU A 36 -14.704 6.708 -5.524 1.00 2.05 C ATOM 533 OE1 GLU A 36 -15.065 6.262 -6.617 1.00 2.39 O ATOM 534 OE2 GLU A 36 -14.640 7.936 -5.302 1.00 2.77 O ATOM 0 H GLU A 36 -10.609 4.518 -4.456 1.00 0.64 H new ATOM 0 HA GLU A 36 -12.570 4.748 -2.496 1.00 0.83 H new ATOM 0 HB2 GLU A 36 -12.235 6.190 -4.495 1.00 1.00 H new ATOM 0 HB3 GLU A 36 -12.716 4.865 -5.536 1.00 1.00 H new ATOM 0 HG2 GLU A 36 -14.959 4.867 -4.491 1.00 1.56 H new ATOM 0 HG3 GLU A 36 -14.476 6.208 -3.470 1.00 1.56 H new ATOM 541 N ASP A 37 -12.912 2.114 -4.477 1.00 0.92 N ATOM 542 CA ASP A 37 -13.625 0.830 -4.674 1.00 1.07 C ATOM 543 C ASP A 37 -13.604 -0.010 -3.429 1.00 1.02 C ATOM 544 O ASP A 37 -14.545 -0.741 -3.145 1.00 1.20 O ATOM 545 CB ASP A 37 -13.023 -0.014 -5.816 1.00 1.17 C ATOM 546 CG ASP A 37 -13.366 0.467 -7.195 1.00 1.39 C ATOM 547 OD1 ASP A 37 -14.485 0.202 -7.681 1.00 1.64 O ATOM 548 OD2 ASP A 37 -12.529 1.142 -7.816 1.00 1.99 O ATOM 0 H ASP A 37 -12.114 2.241 -5.099 1.00 0.92 H new ATOM 0 HA ASP A 37 -14.648 1.107 -4.930 1.00 1.07 H new ATOM 0 HB2 ASP A 37 -11.938 -0.026 -5.709 1.00 1.17 H new ATOM 0 HB3 ASP A 37 -13.365 -1.043 -5.709 1.00 1.17 H new ATOM 553 N ILE A 38 -12.536 0.089 -2.685 1.00 0.85 N ATOM 554 CA ILE A 38 -12.381 -0.714 -1.495 1.00 0.88 C ATOM 555 C ILE A 38 -12.513 0.106 -0.225 1.00 0.84 C ATOM 556 O ILE A 38 -12.166 -0.353 0.859 1.00 0.91 O ATOM 557 CB ILE A 38 -11.065 -1.530 -1.506 1.00 0.85 C ATOM 558 CG1 ILE A 38 -9.854 -0.607 -1.757 1.00 0.66 C ATOM 559 CG2 ILE A 38 -11.153 -2.619 -2.562 1.00 0.97 C ATOM 560 CD1 ILE A 38 -8.513 -1.316 -1.776 1.00 0.68 C ATOM 0 H ILE A 38 -11.757 0.718 -2.879 1.00 0.85 H new ATOM 0 HA ILE A 38 -13.204 -1.429 -1.502 1.00 0.88 H new ATOM 0 HB ILE A 38 -10.924 -1.998 -0.532 1.00 0.85 H new ATOM 0 HG12 ILE A 38 -9.994 -0.097 -2.710 1.00 0.66 H new ATOM 0 HG13 ILE A 38 -9.833 0.161 -0.984 1.00 0.66 H new ATOM 0 HG21 ILE A 38 -10.227 -3.194 -2.570 1.00 0.97 H new ATOM 0 HG22 ILE A 38 -11.989 -3.281 -2.334 1.00 0.97 H new ATOM 0 HG23 ILE A 38 -11.307 -2.165 -3.541 1.00 0.97 H new ATOM 0 HD11 ILE A 38 -7.720 -0.590 -1.958 1.00 0.68 H new ATOM 0 HD12 ILE A 38 -8.345 -1.803 -0.815 1.00 0.68 H new ATOM 0 HD13 ILE A 38 -8.509 -2.065 -2.568 1.00 0.68 H new ATOM 572 N GLY A 39 -13.085 1.286 -0.370 1.00 0.81 N ATOM 573 CA GLY A 39 -13.326 2.173 0.764 1.00 0.82 C ATOM 574 C GLY A 39 -12.052 2.603 1.480 1.00 0.71 C ATOM 575 O GLY A 39 -12.017 2.679 2.716 1.00 0.82 O ATOM 0 H GLY A 39 -13.395 1.659 -1.267 1.00 0.81 H new ATOM 0 HA2 GLY A 39 -13.855 3.060 0.415 1.00 0.82 H new ATOM 0 HA3 GLY A 39 -13.981 1.671 1.475 1.00 0.82 H new ATOM 579 N TYR A 40 -11.012 2.857 0.723 1.00 0.56 N ATOM 580 CA TYR A 40 -9.757 3.301 1.274 1.00 0.48 C ATOM 581 C TYR A 40 -9.505 4.748 0.994 1.00 0.43 C ATOM 582 O TYR A 40 -9.621 5.217 -0.145 1.00 0.50 O ATOM 583 CB TYR A 40 -8.575 2.453 0.810 1.00 0.51 C ATOM 584 CG TYR A 40 -8.308 1.251 1.676 1.00 0.52 C ATOM 585 CD1 TYR A 40 -9.144 0.147 1.615 1.00 0.67 C ATOM 586 CD2 TYR A 40 -7.239 1.215 2.550 1.00 0.60 C ATOM 587 CE1 TYR A 40 -8.923 -0.960 2.399 1.00 0.83 C ATOM 588 CE2 TYR A 40 -7.003 0.117 3.342 1.00 0.79 C ATOM 589 CZ TYR A 40 -7.788 -0.953 3.274 1.00 0.88 C ATOM 590 OH TYR A 40 -7.608 -2.051 4.073 1.00 1.13 O ATOM 0 H TYR A 40 -11.013 2.761 -0.293 1.00 0.56 H new ATOM 0 HA TYR A 40 -9.845 3.172 2.353 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -8.759 2.119 -0.211 1.00 0.51 H new ATOM 0 HB3 TYR A 40 -7.681 3.076 0.785 1.00 0.51 H new ATOM 0 HD1 TYR A 40 -9.986 0.157 0.938 1.00 0.67 H new ATOM 0 HD2 TYR A 40 -6.576 2.066 2.612 1.00 0.60 H new ATOM 0 HE1 TYR A 40 -9.586 -1.811 2.357 1.00 0.83 H new ATOM 0 HE2 TYR A 40 -6.169 0.124 4.028 1.00 0.79 H new ATOM 0 HH TYR A 40 -6.652 -2.172 4.253 1.00 1.13 H new ATOM 600 N ASP A 41 -9.197 5.448 2.037 1.00 0.49 N ATOM 601 CA ASP A 41 -8.857 6.843 1.988 1.00 0.54 C ATOM 602 C ASP A 41 -7.367 6.966 2.145 1.00 0.52 C ATOM 603 O ASP A 41 -6.713 6.031 2.630 1.00 0.88 O ATOM 604 CB ASP A 41 -9.527 7.612 3.140 1.00 0.71 C ATOM 605 CG ASP A 41 -11.035 7.588 3.100 1.00 1.05 C ATOM 606 OD1 ASP A 41 -11.634 6.559 3.444 1.00 1.35 O ATOM 607 OD2 ASP A 41 -11.662 8.602 2.693 1.00 1.48 O ATOM 0 H ASP A 41 -9.173 5.057 2.979 1.00 0.49 H new ATOM 0 HA ASP A 41 -9.198 7.259 1.040 1.00 0.54 H new ATOM 0 HB2 ASP A 41 -9.192 7.190 4.088 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -9.190 8.648 3.116 1.00 0.71 H new ATOM 612 N SER A 42 -6.837 8.105 1.779 1.00 0.39 N ATOM 613 CA SER A 42 -5.418 8.414 1.915 1.00 0.48 C ATOM 614 C SER A 42 -5.000 8.296 3.375 1.00 0.42 C ATOM 615 O SER A 42 -3.935 7.782 3.708 1.00 0.43 O ATOM 616 CB SER A 42 -5.225 9.827 1.443 1.00 0.71 C ATOM 617 OG SER A 42 -6.296 10.641 2.025 1.00 0.98 O ATOM 0 H SER A 42 -7.381 8.864 1.369 1.00 0.39 H new ATOM 0 HA SER A 42 -4.813 7.722 1.330 1.00 0.48 H new ATOM 0 HB2 SER A 42 -4.249 10.203 1.750 1.00 0.71 H new ATOM 0 HB3 SER A 42 -5.257 9.874 0.355 1.00 0.71 H new ATOM 0 HG SER A 42 -6.194 11.571 1.735 1.00 0.98 H new ATOM 622 N LEU A 43 -5.889 8.759 4.225 1.00 0.46 N ATOM 623 CA LEU A 43 -5.745 8.721 5.670 1.00 0.52 C ATOM 624 C LEU A 43 -5.509 7.294 6.188 1.00 0.45 C ATOM 625 O LEU A 43 -4.795 7.091 7.172 1.00 0.53 O ATOM 626 CB LEU A 43 -6.993 9.332 6.306 1.00 0.66 C ATOM 627 CG LEU A 43 -7.310 10.764 5.859 1.00 0.83 C ATOM 628 CD1 LEU A 43 -8.578 11.275 6.509 1.00 1.02 C ATOM 629 CD2 LEU A 43 -6.148 11.691 6.165 1.00 0.97 C ATOM 0 H LEU A 43 -6.764 9.188 3.923 1.00 0.46 H new ATOM 0 HA LEU A 43 -4.865 9.301 5.949 1.00 0.52 H new ATOM 0 HB2 LEU A 43 -7.848 8.697 6.075 1.00 0.66 H new ATOM 0 HB3 LEU A 43 -6.872 9.323 7.389 1.00 0.66 H new ATOM 0 HG LEU A 43 -7.468 10.747 4.781 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -8.775 12.293 6.172 1.00 1.02 H new ATOM 0 HD12 LEU A 43 -9.414 10.632 6.232 1.00 1.02 H new ATOM 0 HD13 LEU A 43 -8.460 11.268 7.593 1.00 1.02 H new ATOM 0 HD21 LEU A 43 -6.394 12.702 5.840 1.00 0.97 H new ATOM 0 HD22 LEU A 43 -5.956 11.692 7.238 1.00 0.97 H new ATOM 0 HD23 LEU A 43 -5.259 11.346 5.637 1.00 0.97 H new ATOM 641 N ALA A 44 -6.083 6.314 5.511 1.00 0.40 N ATOM 642 CA ALA A 44 -5.899 4.925 5.879 1.00 0.39 C ATOM 643 C ALA A 44 -4.624 4.395 5.248 1.00 0.34 C ATOM 644 O ALA A 44 -3.867 3.674 5.877 1.00 0.38 O ATOM 645 CB ALA A 44 -7.091 4.088 5.443 1.00 0.43 C ATOM 0 H ALA A 44 -6.683 6.459 4.699 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.818 4.858 6.964 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -6.930 3.049 5.730 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.994 4.462 5.925 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.204 4.152 4.361 1.00 0.43 H new ATOM 651 N LEU A 45 -4.372 4.810 4.014 1.00 0.31 N ATOM 652 CA LEU A 45 -3.196 4.376 3.253 1.00 0.30 C ATOM 653 C LEU A 45 -1.893 4.814 3.924 1.00 0.29 C ATOM 654 O LEU A 45 -0.877 4.110 3.871 1.00 0.30 O ATOM 655 CB LEU A 45 -3.253 4.938 1.836 1.00 0.32 C ATOM 656 CG LEU A 45 -4.422 4.467 0.985 1.00 0.33 C ATOM 657 CD1 LEU A 45 -4.413 5.167 -0.361 1.00 0.34 C ATOM 658 CD2 LEU A 45 -4.357 2.964 0.808 1.00 0.36 C ATOM 0 H LEU A 45 -4.975 5.458 3.507 1.00 0.31 H new ATOM 0 HA LEU A 45 -3.210 3.287 3.220 1.00 0.30 H new ATOM 0 HB2 LEU A 45 -3.288 6.026 1.898 1.00 0.32 H new ATOM 0 HB3 LEU A 45 -2.327 4.677 1.324 1.00 0.32 H new ATOM 0 HG LEU A 45 -5.354 4.719 1.491 1.00 0.33 H new ATOM 0 HD11 LEU A 45 -5.256 4.819 -0.958 1.00 0.34 H new ATOM 0 HD12 LEU A 45 -4.494 6.244 -0.212 1.00 0.34 H new ATOM 0 HD13 LEU A 45 -3.482 4.942 -0.882 1.00 0.34 H new ATOM 0 HD21 LEU A 45 -5.197 2.633 0.198 1.00 0.36 H new ATOM 0 HD22 LEU A 45 -3.422 2.696 0.315 1.00 0.36 H new ATOM 0 HD23 LEU A 45 -4.405 2.480 1.784 1.00 0.36 H new ATOM 670 N MET A 46 -1.920 5.980 4.553 1.00 0.30 N ATOM 671 CA MET A 46 -0.747 6.485 5.262 1.00 0.31 C ATOM 672 C MET A 46 -0.454 5.627 6.479 1.00 0.33 C ATOM 673 O MET A 46 0.702 5.472 6.879 1.00 0.37 O ATOM 674 CB MET A 46 -0.917 7.945 5.694 1.00 0.37 C ATOM 675 CG MET A 46 -1.079 8.932 4.551 1.00 0.40 C ATOM 676 SD MET A 46 -1.222 10.645 5.126 1.00 0.54 S ATOM 677 CE MET A 46 -2.641 10.540 6.207 1.00 1.67 C ATOM 0 H MET A 46 -2.735 6.593 4.589 1.00 0.30 H new ATOM 0 HA MET A 46 0.091 6.436 4.566 1.00 0.31 H new ATOM 0 HB2 MET A 46 -1.788 8.018 6.345 1.00 0.37 H new ATOM 0 HB3 MET A 46 -0.051 8.237 6.288 1.00 0.37 H new ATOM 0 HG2 MET A 46 -0.225 8.848 3.879 1.00 0.40 H new ATOM 0 HG3 MET A 46 -1.966 8.671 3.973 1.00 0.40 H new ATOM 0 HE1 MET A 46 -3.217 11.463 6.142 1.00 1.67 H new ATOM 0 HE2 MET A 46 -3.267 9.700 5.906 1.00 1.67 H new ATOM 0 HE3 MET A 46 -2.306 10.393 7.234 1.00 1.67 H new ATOM 687 N GLU A 47 -1.500 5.056 7.056 1.00 0.36 N ATOM 688 CA GLU A 47 -1.374 4.202 8.225 1.00 0.42 C ATOM 689 C GLU A 47 -0.681 2.912 7.780 1.00 0.43 C ATOM 690 O GLU A 47 0.275 2.451 8.428 1.00 0.52 O ATOM 691 CB GLU A 47 -2.787 3.953 8.827 1.00 0.45 C ATOM 692 CG GLU A 47 -2.860 3.320 10.230 1.00 0.62 C ATOM 693 CD GLU A 47 -2.467 1.860 10.290 1.00 1.07 C ATOM 694 OE1 GLU A 47 -3.155 1.015 9.682 1.00 1.29 O ATOM 695 OE2 GLU A 47 -1.434 1.546 10.902 1.00 1.97 O ATOM 0 H GLU A 47 -2.459 5.172 6.727 1.00 0.36 H new ATOM 0 HA GLU A 47 -0.773 4.662 9.010 1.00 0.42 H new ATOM 0 HB2 GLU A 47 -3.311 4.908 8.861 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.338 3.311 8.139 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -2.212 3.884 10.901 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -3.877 3.423 10.607 1.00 0.62 H new ATOM 702 N THR A 48 -1.125 2.397 6.628 1.00 0.39 N ATOM 703 CA THR A 48 -0.561 1.214 5.999 1.00 0.44 C ATOM 704 C THR A 48 0.938 1.430 5.810 1.00 0.45 C ATOM 705 O THR A 48 1.764 0.707 6.386 1.00 0.56 O ATOM 706 CB THR A 48 -1.205 1.041 4.598 1.00 0.44 C ATOM 707 OG1 THR A 48 -2.615 1.238 4.698 1.00 0.49 O ATOM 708 CG2 THR A 48 -0.939 -0.352 4.044 1.00 0.53 C ATOM 0 H THR A 48 -1.900 2.803 6.104 1.00 0.39 H new ATOM 0 HA THR A 48 -0.747 0.336 6.617 1.00 0.44 H new ATOM 0 HB THR A 48 -0.765 1.777 3.925 1.00 0.44 H new ATOM 0 HG1 THR A 48 -2.879 1.236 5.642 1.00 0.49 H new ATOM 0 HG21 THR A 48 -1.401 -0.447 3.061 1.00 0.53 H new ATOM 0 HG22 THR A 48 0.136 -0.510 3.956 1.00 0.53 H new ATOM 0 HG23 THR A 48 -1.361 -1.098 4.717 1.00 0.53 H new ATOM 716 N ALA A 49 1.263 2.469 5.043 1.00 0.37 N ATOM 717 CA ALA A 49 2.628 2.826 4.704 1.00 0.38 C ATOM 718 C ALA A 49 3.522 2.923 5.934 1.00 0.43 C ATOM 719 O ALA A 49 4.558 2.282 5.985 1.00 0.45 O ATOM 720 CB ALA A 49 2.646 4.132 3.940 1.00 0.36 C ATOM 0 H ALA A 49 0.568 3.094 4.635 1.00 0.37 H new ATOM 0 HA ALA A 49 3.028 2.029 4.077 1.00 0.38 H new ATOM 0 HB1 ALA A 49 3.674 4.393 3.689 1.00 0.36 H new ATOM 0 HB2 ALA A 49 2.065 4.026 3.024 1.00 0.36 H new ATOM 0 HB3 ALA A 49 2.212 4.920 4.556 1.00 0.36 H new ATOM 726 N ALA A 50 3.074 3.666 6.942 1.00 0.47 N ATOM 727 CA ALA A 50 3.858 3.892 8.162 1.00 0.57 C ATOM 728 C ALA A 50 4.200 2.599 8.896 1.00 0.62 C ATOM 729 O ALA A 50 5.287 2.468 9.474 1.00 0.68 O ATOM 730 CB ALA A 50 3.133 4.832 9.095 1.00 0.65 C ATOM 0 H ALA A 50 2.164 4.127 6.941 1.00 0.47 H new ATOM 0 HA ALA A 50 4.798 4.343 7.843 1.00 0.57 H new ATOM 0 HB1 ALA A 50 3.731 4.986 9.993 1.00 0.65 H new ATOM 0 HB2 ALA A 50 2.974 5.788 8.597 1.00 0.65 H new ATOM 0 HB3 ALA A 50 2.170 4.401 9.370 1.00 0.65 H new ATOM 736 N ARG A 51 3.299 1.637 8.879 1.00 0.65 N ATOM 737 CA ARG A 51 3.554 0.390 9.575 1.00 0.76 C ATOM 738 C ARG A 51 4.454 -0.489 8.716 1.00 0.64 C ATOM 739 O ARG A 51 5.328 -1.210 9.219 1.00 0.62 O ATOM 740 CB ARG A 51 2.252 -0.331 9.910 1.00 0.95 C ATOM 741 CG ARG A 51 2.420 -1.459 10.915 1.00 1.23 C ATOM 742 CD ARG A 51 1.103 -2.130 11.205 1.00 0.90 C ATOM 743 NE ARG A 51 1.176 -3.053 12.346 1.00 1.76 N ATOM 744 CZ ARG A 51 0.117 -3.625 12.938 1.00 2.17 C ATOM 745 NH1 ARG A 51 -1.122 -3.328 12.558 1.00 2.08 N ATOM 746 NH2 ARG A 51 0.306 -4.454 13.952 1.00 3.21 N ATOM 0 H ARG A 51 2.400 1.691 8.401 1.00 0.65 H new ATOM 0 HA ARG A 51 4.056 0.607 10.518 1.00 0.76 H new ATOM 0 HB2 ARG A 51 1.538 0.392 10.304 1.00 0.95 H new ATOM 0 HB3 ARG A 51 1.824 -0.734 8.992 1.00 0.95 H new ATOM 0 HG2 ARG A 51 3.127 -2.192 10.528 1.00 1.23 H new ATOM 0 HG3 ARG A 51 2.842 -1.066 11.840 1.00 1.23 H new ATOM 0 HD2 ARG A 51 0.349 -1.369 11.406 1.00 0.90 H new ATOM 0 HD3 ARG A 51 0.776 -2.677 10.321 1.00 0.90 H new ATOM 0 HE ARG A 51 2.101 -3.275 12.715 1.00 1.76 H new ATOM 0 HH11 ARG A 51 -1.278 -2.656 11.806 1.00 2.08 H new ATOM 0 HH12 ARG A 51 -1.917 -3.772 13.018 1.00 2.08 H new ATOM 0 HH21 ARG A 51 1.252 -4.654 14.278 1.00 3.21 H new ATOM 0 HH22 ARG A 51 -0.494 -4.893 14.408 1.00 3.21 H new ATOM 760 N LEU A 52 4.270 -0.387 7.412 1.00 0.60 N ATOM 761 CA LEU A 52 5.069 -1.139 6.468 1.00 0.55 C ATOM 762 C LEU A 52 6.500 -0.649 6.451 1.00 0.46 C ATOM 763 O LEU A 52 7.411 -1.420 6.141 1.00 0.45 O ATOM 764 CB LEU A 52 4.470 -1.101 5.066 1.00 0.61 C ATOM 765 CG LEU A 52 3.046 -1.633 4.950 1.00 0.76 C ATOM 766 CD1 LEU A 52 2.603 -1.667 3.501 1.00 0.87 C ATOM 767 CD2 LEU A 52 2.918 -3.000 5.607 1.00 0.93 C ATOM 0 H LEU A 52 3.568 0.215 6.982 1.00 0.60 H new ATOM 0 HA LEU A 52 5.068 -2.177 6.801 1.00 0.55 H new ATOM 0 HB2 LEU A 52 4.485 -0.071 4.710 1.00 0.61 H new ATOM 0 HB3 LEU A 52 5.111 -1.678 4.399 1.00 0.61 H new ATOM 0 HG LEU A 52 2.382 -0.953 5.484 1.00 0.76 H new ATOM 0 HD11 LEU A 52 1.584 -2.050 3.441 1.00 0.87 H new ATOM 0 HD12 LEU A 52 2.637 -0.660 3.086 1.00 0.87 H new ATOM 0 HD13 LEU A 52 3.269 -2.316 2.932 1.00 0.87 H new ATOM 0 HD21 LEU A 52 1.892 -3.356 5.510 1.00 0.93 H new ATOM 0 HD22 LEU A 52 3.594 -3.703 5.119 1.00 0.93 H new ATOM 0 HD23 LEU A 52 3.176 -2.922 6.663 1.00 0.93 H new ATOM 779 N GLU A 53 6.699 0.628 6.791 1.00 0.45 N ATOM 780 CA GLU A 53 8.034 1.196 6.902 1.00 0.44 C ATOM 781 C GLU A 53 8.851 0.393 7.897 1.00 0.46 C ATOM 782 O GLU A 53 9.943 -0.065 7.592 1.00 0.50 O ATOM 783 CB GLU A 53 8.001 2.653 7.368 1.00 0.52 C ATOM 784 CG GLU A 53 7.303 3.622 6.443 1.00 0.44 C ATOM 785 CD GLU A 53 7.416 5.042 6.934 1.00 0.45 C ATOM 786 OE1 GLU A 53 6.661 5.422 7.838 1.00 0.57 O ATOM 787 OE2 GLU A 53 8.239 5.817 6.398 1.00 0.45 O ATOM 0 H GLU A 53 5.946 1.285 6.994 1.00 0.45 H new ATOM 0 HA GLU A 53 8.484 1.159 5.910 1.00 0.44 H new ATOM 0 HB2 GLU A 53 7.512 2.693 8.341 1.00 0.52 H new ATOM 0 HB3 GLU A 53 9.027 2.992 7.512 1.00 0.52 H new ATOM 0 HG2 GLU A 53 7.734 3.547 5.445 1.00 0.44 H new ATOM 0 HG3 GLU A 53 6.251 3.349 6.357 1.00 0.44 H new ATOM 794 N SER A 54 8.281 0.200 9.059 1.00 0.49 N ATOM 795 CA SER A 54 8.905 -0.513 10.139 1.00 0.56 C ATOM 796 C SER A 54 9.043 -2.012 9.807 1.00 0.55 C ATOM 797 O SER A 54 10.081 -2.634 10.069 1.00 0.67 O ATOM 798 CB SER A 54 8.027 -0.322 11.364 1.00 0.67 C ATOM 799 OG SER A 54 7.689 1.054 11.496 1.00 1.36 O ATOM 0 H SER A 54 7.347 0.544 9.284 1.00 0.49 H new ATOM 0 HA SER A 54 9.911 -0.131 10.314 1.00 0.56 H new ATOM 0 HB2 SER A 54 7.122 -0.923 11.273 1.00 0.67 H new ATOM 0 HB3 SER A 54 8.550 -0.666 12.256 1.00 0.67 H new ATOM 0 HG SER A 54 7.121 1.177 12.285 1.00 1.36 H new ATOM 805 N ARG A 55 8.015 -2.563 9.199 1.00 0.52 N ATOM 806 CA ARG A 55 7.957 -3.987 8.899 1.00 0.57 C ATOM 807 C ARG A 55 8.899 -4.407 7.752 1.00 0.54 C ATOM 808 O ARG A 55 9.669 -5.359 7.889 1.00 0.65 O ATOM 809 CB ARG A 55 6.505 -4.391 8.627 1.00 0.67 C ATOM 810 CG ARG A 55 6.287 -5.860 8.314 1.00 0.77 C ATOM 811 CD ARG A 55 4.806 -6.204 8.356 1.00 0.96 C ATOM 812 NE ARG A 55 4.258 -6.054 9.718 1.00 1.60 N ATOM 813 CZ ARG A 55 2.981 -6.275 10.080 1.00 2.10 C ATOM 814 NH1 ARG A 55 2.045 -6.496 9.163 1.00 1.89 N ATOM 815 NH2 ARG A 55 2.643 -6.265 11.368 1.00 3.10 N ATOM 0 H ARG A 55 7.193 -2.041 8.896 1.00 0.52 H new ATOM 0 HA ARG A 55 8.321 -4.527 9.773 1.00 0.57 H new ATOM 0 HB2 ARG A 55 5.903 -4.129 9.497 1.00 0.67 H new ATOM 0 HB3 ARG A 55 6.131 -3.799 7.791 1.00 0.67 H new ATOM 0 HG2 ARG A 55 6.691 -6.091 7.328 1.00 0.77 H new ATOM 0 HG3 ARG A 55 6.829 -6.475 9.033 1.00 0.77 H new ATOM 0 HD2 ARG A 55 4.261 -5.557 7.669 1.00 0.96 H new ATOM 0 HD3 ARG A 55 4.659 -7.228 8.013 1.00 0.96 H new ATOM 0 HE ARG A 55 4.904 -5.757 10.449 1.00 1.60 H new ATOM 0 HH11 ARG A 55 2.291 -6.499 8.173 1.00 1.89 H new ATOM 0 HH12 ARG A 55 1.080 -6.662 9.449 1.00 1.89 H new ATOM 0 HH21 ARG A 55 3.352 -6.090 12.080 1.00 3.10 H new ATOM 0 HH22 ARG A 55 1.675 -6.432 11.643 1.00 3.10 H new ATOM 829 N TYR A 56 8.862 -3.688 6.650 1.00 0.50 N ATOM 830 CA TYR A 56 9.663 -4.053 5.481 1.00 0.57 C ATOM 831 C TYR A 56 10.985 -3.299 5.413 1.00 0.59 C ATOM 832 O TYR A 56 11.854 -3.634 4.605 1.00 0.73 O ATOM 833 CB TYR A 56 8.869 -3.863 4.180 1.00 0.65 C ATOM 834 CG TYR A 56 7.698 -4.810 4.034 1.00 0.72 C ATOM 835 CD1 TYR A 56 7.880 -6.085 3.522 1.00 0.89 C ATOM 836 CD2 TYR A 56 6.415 -4.435 4.408 1.00 0.76 C ATOM 837 CE1 TYR A 56 6.823 -6.961 3.384 1.00 1.03 C ATOM 838 CE2 TYR A 56 5.350 -5.306 4.274 1.00 0.91 C ATOM 839 CZ TYR A 56 5.559 -6.568 3.761 1.00 1.03 C ATOM 840 OH TYR A 56 4.495 -7.446 3.631 1.00 1.21 O ATOM 0 H TYR A 56 8.292 -2.851 6.531 1.00 0.50 H new ATOM 0 HA TYR A 56 9.902 -5.110 5.594 1.00 0.57 H new ATOM 0 HB2 TYR A 56 8.502 -2.837 4.136 1.00 0.65 H new ATOM 0 HB3 TYR A 56 9.541 -3.998 3.332 1.00 0.65 H new ATOM 0 HD1 TYR A 56 8.870 -6.399 3.225 1.00 0.89 H new ATOM 0 HD2 TYR A 56 6.246 -3.447 4.810 1.00 0.76 H new ATOM 0 HE1 TYR A 56 6.987 -7.950 2.982 1.00 1.03 H new ATOM 0 HE2 TYR A 56 4.358 -4.999 4.570 1.00 0.91 H new ATOM 0 HH TYR A 56 3.673 -7.013 3.943 1.00 1.21 H new ATOM 850 N GLY A 57 11.139 -2.296 6.252 1.00 0.52 N ATOM 851 CA GLY A 57 12.366 -1.531 6.263 1.00 0.56 C ATOM 852 C GLY A 57 12.409 -0.533 5.133 1.00 0.54 C ATOM 853 O GLY A 57 13.324 -0.553 4.305 1.00 0.68 O ATOM 0 H GLY A 57 10.437 -1.994 6.928 1.00 0.52 H new ATOM 0 HA2 GLY A 57 12.461 -1.008 7.215 1.00 0.56 H new ATOM 0 HA3 GLY A 57 13.217 -2.207 6.185 1.00 0.56 H new ATOM 857 N VAL A 58 11.426 0.326 5.090 1.00 0.47 N ATOM 858 CA VAL A 58 11.317 1.327 4.045 1.00 0.44 C ATOM 859 C VAL A 58 11.010 2.686 4.631 1.00 0.42 C ATOM 860 O VAL A 58 10.799 2.811 5.833 1.00 0.44 O ATOM 861 CB VAL A 58 10.258 0.987 2.940 1.00 0.46 C ATOM 862 CG1 VAL A 58 10.642 -0.248 2.168 1.00 0.55 C ATOM 863 CG2 VAL A 58 8.869 0.811 3.536 1.00 0.43 C ATOM 0 H VAL A 58 10.673 0.357 5.777 1.00 0.47 H new ATOM 0 HA VAL A 58 12.291 1.336 3.556 1.00 0.44 H new ATOM 0 HB VAL A 58 10.237 1.833 2.253 1.00 0.46 H new ATOM 0 HG11 VAL A 58 9.885 -0.454 1.411 1.00 0.55 H new ATOM 0 HG12 VAL A 58 11.606 -0.090 1.684 1.00 0.55 H new ATOM 0 HG13 VAL A 58 10.713 -1.096 2.850 1.00 0.55 H new ATOM 0 HG21 VAL A 58 8.160 0.576 2.742 1.00 0.43 H new ATOM 0 HG22 VAL A 58 8.885 -0.003 4.261 1.00 0.43 H new ATOM 0 HG23 VAL A 58 8.566 1.733 4.032 1.00 0.43 H new ATOM 873 N SER A 59 10.974 3.674 3.792 1.00 0.43 N ATOM 874 CA SER A 59 10.640 5.011 4.181 1.00 0.48 C ATOM 875 C SER A 59 9.582 5.518 3.217 1.00 0.43 C ATOM 876 O SER A 59 9.833 5.620 2.011 1.00 0.49 O ATOM 877 CB SER A 59 11.888 5.896 4.128 1.00 0.65 C ATOM 878 OG SER A 59 12.929 5.379 4.959 1.00 1.28 O ATOM 0 H SER A 59 11.180 3.573 2.798 1.00 0.43 H new ATOM 0 HA SER A 59 10.259 5.035 5.202 1.00 0.48 H new ATOM 0 HB2 SER A 59 12.242 5.967 3.100 1.00 0.65 H new ATOM 0 HB3 SER A 59 11.633 6.907 4.447 1.00 0.65 H new ATOM 0 HG SER A 59 13.713 5.964 4.903 1.00 1.28 H new ATOM 884 N ILE A 60 8.403 5.760 3.718 1.00 0.39 N ATOM 885 CA ILE A 60 7.301 6.212 2.899 1.00 0.38 C ATOM 886 C ILE A 60 6.661 7.442 3.529 1.00 0.41 C ATOM 887 O ILE A 60 6.000 7.346 4.576 1.00 0.45 O ATOM 888 CB ILE A 60 6.206 5.119 2.720 1.00 0.37 C ATOM 889 CG1 ILE A 60 6.813 3.817 2.181 1.00 0.45 C ATOM 890 CG2 ILE A 60 5.117 5.625 1.765 1.00 0.38 C ATOM 891 CD1 ILE A 60 5.831 2.669 2.100 1.00 0.82 C ATOM 0 H ILE A 60 8.173 5.651 4.706 1.00 0.39 H new ATOM 0 HA ILE A 60 7.711 6.447 1.917 1.00 0.38 H new ATOM 0 HB ILE A 60 5.765 4.911 3.695 1.00 0.37 H new ATOM 0 HG12 ILE A 60 7.222 4.003 1.188 1.00 0.45 H new ATOM 0 HG13 ILE A 60 7.646 3.525 2.820 1.00 0.45 H new ATOM 0 HG21 ILE A 60 4.354 4.856 1.644 1.00 0.38 H new ATOM 0 HG22 ILE A 60 4.662 6.526 2.176 1.00 0.38 H new ATOM 0 HG23 ILE A 60 5.560 5.853 0.796 1.00 0.38 H new ATOM 0 HD11 ILE A 60 6.336 1.785 1.710 1.00 0.82 H new ATOM 0 HD12 ILE A 60 5.440 2.454 3.094 1.00 0.82 H new ATOM 0 HD13 ILE A 60 5.009 2.939 1.437 1.00 0.82 H new ATOM 903 N PRO A 61 6.876 8.617 2.934 1.00 0.48 N ATOM 904 CA PRO A 61 6.258 9.853 3.395 1.00 0.55 C ATOM 905 C PRO A 61 4.723 9.791 3.277 1.00 0.49 C ATOM 906 O PRO A 61 4.174 9.215 2.315 1.00 0.43 O ATOM 907 CB PRO A 61 6.842 10.924 2.465 1.00 0.66 C ATOM 908 CG PRO A 61 8.067 10.303 1.891 1.00 0.70 C ATOM 909 CD PRO A 61 7.763 8.843 1.782 1.00 0.58 C ATOM 0 HA PRO A 61 6.459 10.054 4.447 1.00 0.55 H new ATOM 0 HB2 PRO A 61 6.134 11.198 1.683 1.00 0.66 H new ATOM 0 HB3 PRO A 61 7.080 11.836 3.012 1.00 0.66 H new ATOM 0 HG2 PRO A 61 8.302 10.729 0.915 1.00 0.70 H new ATOM 0 HG3 PRO A 61 8.932 10.477 2.531 1.00 0.70 H new ATOM 0 HD2 PRO A 61 7.274 8.599 0.839 1.00 0.58 H new ATOM 0 HD3 PRO A 61 8.666 8.235 1.839 1.00 0.58 H new ATOM 917 N ASP A 62 4.060 10.388 4.248 1.00 0.57 N ATOM 918 CA ASP A 62 2.597 10.387 4.395 1.00 0.56 C ATOM 919 C ASP A 62 1.886 10.839 3.132 1.00 0.48 C ATOM 920 O ASP A 62 1.051 10.118 2.583 1.00 0.46 O ATOM 921 CB ASP A 62 2.182 11.322 5.537 1.00 0.71 C ATOM 922 CG ASP A 62 2.740 10.935 6.877 1.00 1.23 C ATOM 923 OD1 ASP A 62 3.936 11.203 7.130 1.00 1.52 O ATOM 924 OD2 ASP A 62 1.997 10.366 7.714 1.00 1.98 O ATOM 0 H ASP A 62 4.531 10.908 4.988 1.00 0.57 H new ATOM 0 HA ASP A 62 2.307 9.358 4.607 1.00 0.56 H new ATOM 0 HB2 ASP A 62 2.506 12.335 5.299 1.00 0.71 H new ATOM 0 HB3 ASP A 62 1.094 11.341 5.600 1.00 0.71 H new ATOM 929 N ASP A 63 2.261 12.005 2.640 1.00 0.52 N ATOM 930 CA ASP A 63 1.572 12.630 1.492 1.00 0.56 C ATOM 931 C ASP A 63 1.693 11.772 0.234 1.00 0.50 C ATOM 932 O ASP A 63 0.811 11.780 -0.626 1.00 0.60 O ATOM 933 CB ASP A 63 2.105 14.049 1.212 1.00 0.71 C ATOM 934 CG ASP A 63 3.407 14.092 0.431 1.00 1.56 C ATOM 935 OD1 ASP A 63 4.463 13.727 1.011 1.00 2.20 O ATOM 936 OD2 ASP A 63 3.401 14.486 -0.753 1.00 2.31 O ATOM 0 H ASP A 63 3.040 12.551 3.009 1.00 0.52 H new ATOM 0 HA ASP A 63 0.519 12.706 1.762 1.00 0.56 H new ATOM 0 HB2 ASP A 63 1.347 14.605 0.661 1.00 0.71 H new ATOM 0 HB3 ASP A 63 2.249 14.563 2.162 1.00 0.71 H new ATOM 941 N VAL A 64 2.765 11.022 0.157 1.00 0.46 N ATOM 942 CA VAL A 64 3.042 10.131 -0.959 1.00 0.48 C ATOM 943 C VAL A 64 2.058 8.968 -0.925 1.00 0.42 C ATOM 944 O VAL A 64 1.455 8.604 -1.946 1.00 0.46 O ATOM 945 CB VAL A 64 4.477 9.586 -0.842 1.00 0.54 C ATOM 946 CG1 VAL A 64 4.813 8.660 -1.998 1.00 0.64 C ATOM 947 CG2 VAL A 64 5.473 10.725 -0.777 1.00 0.63 C ATOM 0 H VAL A 64 3.487 11.009 0.878 1.00 0.46 H new ATOM 0 HA VAL A 64 2.938 10.678 -1.896 1.00 0.48 H new ATOM 0 HB VAL A 64 4.539 9.009 0.081 1.00 0.54 H new ATOM 0 HG11 VAL A 64 5.833 8.293 -1.885 1.00 0.64 H new ATOM 0 HG12 VAL A 64 4.122 7.817 -2.002 1.00 0.64 H new ATOM 0 HG13 VAL A 64 4.725 9.205 -2.938 1.00 0.64 H new ATOM 0 HG21 VAL A 64 6.482 10.322 -0.694 1.00 0.63 H new ATOM 0 HG22 VAL A 64 5.396 11.328 -1.682 1.00 0.63 H new ATOM 0 HG23 VAL A 64 5.259 11.347 0.092 1.00 0.63 H new ATOM 957 N ALA A 65 1.880 8.411 0.265 1.00 0.45 N ATOM 958 CA ALA A 65 0.961 7.302 0.486 1.00 0.46 C ATOM 959 C ALA A 65 -0.467 7.723 0.183 1.00 0.44 C ATOM 960 O ALA A 65 -1.294 6.915 -0.178 1.00 0.51 O ATOM 961 CB ALA A 65 1.062 6.804 1.915 1.00 0.56 C ATOM 0 H ALA A 65 2.370 8.716 1.106 1.00 0.45 H new ATOM 0 HA ALA A 65 1.238 6.492 -0.189 1.00 0.46 H new ATOM 0 HB1 ALA A 65 0.369 5.976 2.062 1.00 0.56 H new ATOM 0 HB2 ALA A 65 2.079 6.465 2.111 1.00 0.56 H new ATOM 0 HB3 ALA A 65 0.811 7.613 2.601 1.00 0.56 H new ATOM 967 N GLY A 66 -0.734 9.001 0.322 1.00 0.48 N ATOM 968 CA GLY A 66 -2.041 9.514 0.021 1.00 0.57 C ATOM 969 C GLY A 66 -2.202 9.881 -1.445 1.00 0.58 C ATOM 970 O GLY A 66 -3.286 10.259 -1.877 1.00 0.91 O ATOM 0 H GLY A 66 -0.062 9.699 0.641 1.00 0.48 H new ATOM 0 HA2 GLY A 66 -2.790 8.769 0.290 1.00 0.57 H new ATOM 0 HA3 GLY A 66 -2.232 10.394 0.635 1.00 0.57 H new ATOM 974 N ARG A 67 -1.138 9.776 -2.210 1.00 0.43 N ATOM 975 CA ARG A 67 -1.182 10.149 -3.615 1.00 0.48 C ATOM 976 C ARG A 67 -1.383 8.930 -4.515 1.00 0.45 C ATOM 977 O ARG A 67 -1.891 9.064 -5.620 1.00 0.63 O ATOM 978 CB ARG A 67 0.105 10.869 -4.026 1.00 0.59 C ATOM 979 CG ARG A 67 0.082 11.378 -5.460 1.00 1.35 C ATOM 980 CD ARG A 67 1.409 11.950 -5.880 1.00 1.46 C ATOM 981 NE ARG A 67 1.402 12.299 -7.297 1.00 2.35 N ATOM 982 CZ ARG A 67 2.429 12.112 -8.139 1.00 2.83 C ATOM 983 NH1 ARG A 67 3.598 11.640 -7.694 1.00 2.42 N ATOM 984 NH2 ARG A 67 2.282 12.388 -9.422 1.00 3.92 N ATOM 0 H ARG A 67 -0.232 9.437 -1.888 1.00 0.43 H new ATOM 0 HA ARG A 67 -2.032 10.820 -3.740 1.00 0.48 H new ATOM 0 HB2 ARG A 67 0.273 11.710 -3.353 1.00 0.59 H new ATOM 0 HB3 ARG A 67 0.948 10.189 -3.903 1.00 0.59 H new ATOM 0 HG2 ARG A 67 -0.188 10.561 -6.130 1.00 1.35 H new ATOM 0 HG3 ARG A 67 -0.689 12.141 -5.561 1.00 1.35 H new ATOM 0 HD2 ARG A 67 1.632 12.835 -5.285 1.00 1.46 H new ATOM 0 HD3 ARG A 67 2.200 11.226 -5.684 1.00 1.46 H new ATOM 0 HE ARG A 67 0.552 12.717 -7.676 1.00 2.35 H new ATOM 0 HH11 ARG A 67 3.715 11.418 -6.705 1.00 2.42 H new ATOM 0 HH12 ARG A 67 4.372 11.502 -8.343 1.00 2.42 H new ATOM 0 HH21 ARG A 67 1.390 12.742 -9.769 1.00 3.92 H new ATOM 0 HH22 ARG A 67 3.060 12.247 -10.066 1.00 3.92 H new ATOM 998 N VAL A 68 -0.991 7.751 -4.020 1.00 0.39 N ATOM 999 CA VAL A 68 -1.001 6.499 -4.812 1.00 0.38 C ATOM 1000 C VAL A 68 -2.329 6.263 -5.556 1.00 0.43 C ATOM 1001 O VAL A 68 -3.396 6.127 -4.961 1.00 0.48 O ATOM 1002 CB VAL A 68 -0.587 5.259 -3.965 1.00 0.34 C ATOM 1003 CG1 VAL A 68 0.870 5.380 -3.548 1.00 0.37 C ATOM 1004 CG2 VAL A 68 -1.457 5.104 -2.733 1.00 0.36 C ATOM 0 H VAL A 68 -0.658 7.629 -3.064 1.00 0.39 H new ATOM 0 HA VAL A 68 -0.240 6.633 -5.581 1.00 0.38 H new ATOM 0 HB VAL A 68 -0.723 4.374 -4.587 1.00 0.34 H new ATOM 0 HG11 VAL A 68 1.153 4.509 -2.956 1.00 0.37 H new ATOM 0 HG12 VAL A 68 1.499 5.435 -4.436 1.00 0.37 H new ATOM 0 HG13 VAL A 68 1.004 6.283 -2.952 1.00 0.37 H new ATOM 0 HG21 VAL A 68 -1.136 4.228 -2.169 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.364 5.992 -2.108 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.497 4.980 -3.035 1.00 0.36 H new ATOM 1014 N ASP A 69 -2.230 6.324 -6.869 1.00 0.51 N ATOM 1015 CA ASP A 69 -3.369 6.228 -7.797 1.00 0.65 C ATOM 1016 C ASP A 69 -4.049 4.889 -7.706 1.00 0.52 C ATOM 1017 O ASP A 69 -5.284 4.801 -7.639 1.00 0.58 O ATOM 1018 CB ASP A 69 -2.880 6.452 -9.237 1.00 0.86 C ATOM 1019 CG ASP A 69 -3.987 6.575 -10.250 1.00 1.39 C ATOM 1020 OD1 ASP A 69 -4.741 7.563 -10.231 1.00 1.44 O ATOM 1021 OD2 ASP A 69 -4.163 5.654 -11.054 1.00 2.20 O ATOM 0 H ASP A 69 -1.336 6.445 -7.345 1.00 0.51 H new ATOM 0 HA ASP A 69 -4.092 6.995 -7.519 1.00 0.65 H new ATOM 0 HB2 ASP A 69 -2.273 7.357 -9.267 1.00 0.86 H new ATOM 0 HB3 ASP A 69 -2.232 5.624 -9.522 1.00 0.86 H new ATOM 1026 N THR A 70 -3.266 3.862 -7.727 1.00 0.42 N ATOM 1027 CA THR A 70 -3.761 2.522 -7.673 1.00 0.34 C ATOM 1028 C THR A 70 -2.923 1.753 -6.687 1.00 0.30 C ATOM 1029 O THR A 70 -1.819 2.212 -6.325 1.00 0.33 O ATOM 1030 CB THR A 70 -3.629 1.848 -9.058 1.00 0.40 C ATOM 1031 OG1 THR A 70 -2.245 1.883 -9.474 1.00 0.51 O ATOM 1032 CG2 THR A 70 -4.495 2.556 -10.087 1.00 0.48 C ATOM 0 H THR A 70 -2.250 3.928 -7.783 1.00 0.42 H new ATOM 0 HA THR A 70 -4.810 2.532 -7.377 1.00 0.34 H new ATOM 0 HB THR A 70 -3.966 0.814 -8.981 1.00 0.40 H new ATOM 0 HG1 THR A 70 -2.156 1.455 -10.351 1.00 0.51 H new ATOM 0 HG21 THR A 70 -4.386 2.065 -11.054 1.00 0.48 H new ATOM 0 HG22 THR A 70 -5.538 2.515 -9.774 1.00 0.48 H new ATOM 0 HG23 THR A 70 -4.182 3.597 -10.172 1.00 0.48 H new ATOM 1040 N PRO A 71 -3.400 0.597 -6.202 1.00 0.31 N ATOM 1041 CA PRO A 71 -2.608 -0.265 -5.340 1.00 0.33 C ATOM 1042 C PRO A 71 -1.372 -0.776 -6.079 1.00 0.32 C ATOM 1043 O PRO A 71 -0.388 -1.137 -5.465 1.00 0.34 O ATOM 1044 CB PRO A 71 -3.565 -1.406 -4.991 1.00 0.38 C ATOM 1045 CG PRO A 71 -4.906 -0.793 -5.169 1.00 0.40 C ATOM 1046 CD PRO A 71 -4.764 0.063 -6.381 1.00 0.35 C ATOM 0 HA PRO A 71 -2.230 0.244 -4.453 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -3.424 -2.264 -5.648 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -3.416 -1.758 -3.970 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -5.675 -1.553 -5.307 1.00 0.40 H new ATOM 0 HG3 PRO A 71 -5.193 -0.204 -4.298 1.00 0.40 H new ATOM 0 HD2 PRO A 71 -4.863 -0.510 -7.303 1.00 0.35 H new ATOM 0 HD3 PRO A 71 -5.513 0.854 -6.416 1.00 0.35 H new ATOM 1054 N ARG A 72 -1.424 -0.761 -7.414 1.00 0.34 N ATOM 1055 CA ARG A 72 -0.275 -1.129 -8.223 1.00 0.39 C ATOM 1056 C ARG A 72 0.807 -0.059 -8.090 1.00 0.32 C ATOM 1057 O ARG A 72 1.986 -0.372 -7.988 1.00 0.31 O ATOM 1058 CB ARG A 72 -0.666 -1.337 -9.690 1.00 0.52 C ATOM 1059 CG ARG A 72 0.500 -1.725 -10.596 1.00 0.93 C ATOM 1060 CD ARG A 72 0.033 -2.028 -12.007 1.00 1.15 C ATOM 1061 NE ARG A 72 -0.856 -3.196 -12.052 1.00 1.31 N ATOM 1062 CZ ARG A 72 -2.007 -3.262 -12.733 1.00 1.78 C ATOM 1063 NH1 ARG A 72 -2.454 -2.214 -13.408 1.00 2.53 N ATOM 1064 NH2 ARG A 72 -2.724 -4.376 -12.724 1.00 1.99 N ATOM 0 H ARG A 72 -2.251 -0.497 -7.950 1.00 0.34 H new ATOM 0 HA ARG A 72 0.117 -2.079 -7.859 1.00 0.39 H new ATOM 0 HB2 ARG A 72 -1.429 -2.113 -9.745 1.00 0.52 H new ATOM 0 HB3 ARG A 72 -1.117 -0.420 -10.068 1.00 0.52 H new ATOM 0 HG2 ARG A 72 1.229 -0.915 -10.619 1.00 0.93 H new ATOM 0 HG3 ARG A 72 1.007 -2.598 -10.184 1.00 0.93 H new ATOM 0 HD2 ARG A 72 -0.488 -1.160 -12.411 1.00 1.15 H new ATOM 0 HD3 ARG A 72 0.898 -2.206 -12.645 1.00 1.15 H new ATOM 0 HE ARG A 72 -0.575 -4.022 -11.523 1.00 1.31 H new ATOM 0 HH11 ARG A 72 -1.920 -1.345 -13.413 1.00 2.53 H new ATOM 0 HH12 ARG A 72 -3.332 -2.276 -13.923 1.00 2.53 H new ATOM 0 HH21 ARG A 72 -2.400 -5.187 -12.197 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -3.600 -4.423 -13.244 1.00 1.99 H new ATOM 1078 N GLU A 73 0.394 1.197 -8.055 1.00 0.31 N ATOM 1079 CA GLU A 73 1.326 2.296 -7.866 1.00 0.32 C ATOM 1080 C GLU A 73 1.882 2.264 -6.439 1.00 0.26 C ATOM 1081 O GLU A 73 3.060 2.540 -6.212 1.00 0.30 O ATOM 1082 CB GLU A 73 0.651 3.635 -8.176 1.00 0.45 C ATOM 1083 CG GLU A 73 1.562 4.841 -8.028 1.00 0.53 C ATOM 1084 CD GLU A 73 0.943 6.091 -8.557 1.00 1.09 C ATOM 1085 OE1 GLU A 73 0.255 6.799 -7.792 1.00 1.86 O ATOM 1086 OE2 GLU A 73 1.149 6.409 -9.743 1.00 1.51 O ATOM 0 H GLU A 73 -0.581 1.481 -8.155 1.00 0.31 H new ATOM 0 HA GLU A 73 2.159 2.183 -8.560 1.00 0.32 H new ATOM 0 HB2 GLU A 73 0.266 3.608 -9.195 1.00 0.45 H new ATOM 0 HB3 GLU A 73 -0.207 3.758 -7.515 1.00 0.45 H new ATOM 0 HG2 GLU A 73 1.809 4.979 -6.975 1.00 0.53 H new ATOM 0 HG3 GLU A 73 2.498 4.652 -8.553 1.00 0.53 H new ATOM 1093 N LEU A 74 1.028 1.888 -5.490 1.00 0.25 N ATOM 1094 CA LEU A 74 1.431 1.746 -4.092 1.00 0.26 C ATOM 1095 C LEU A 74 2.486 0.619 -4.012 1.00 0.24 C ATOM 1096 O LEU A 74 3.521 0.757 -3.350 1.00 0.27 O ATOM 1097 CB LEU A 74 0.173 1.424 -3.229 1.00 0.29 C ATOM 1098 CG LEU A 74 0.245 1.647 -1.689 1.00 0.33 C ATOM 1099 CD1 LEU A 74 -1.123 1.429 -1.068 1.00 1.30 C ATOM 1100 CD2 LEU A 74 1.248 0.730 -1.013 1.00 1.14 C ATOM 0 H LEU A 74 0.046 1.675 -5.665 1.00 0.25 H new ATOM 0 HA LEU A 74 1.870 2.666 -3.707 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.653 2.024 -3.612 1.00 0.29 H new ATOM 0 HB3 LEU A 74 -0.086 0.379 -3.400 1.00 0.29 H new ATOM 0 HG LEU A 74 0.575 2.674 -1.534 1.00 0.33 H new ATOM 0 HD11 LEU A 74 -1.063 1.587 0.009 1.00 1.30 H new ATOM 0 HD12 LEU A 74 -1.835 2.133 -1.499 1.00 1.30 H new ATOM 0 HD13 LEU A 74 -1.455 0.410 -1.267 1.00 1.30 H new ATOM 0 HD21 LEU A 74 1.257 0.928 0.059 1.00 1.14 H new ATOM 0 HD22 LEU A 74 0.967 -0.309 -1.188 1.00 1.14 H new ATOM 0 HD23 LEU A 74 2.241 0.911 -1.424 1.00 1.14 H new ATOM 1112 N LEU A 75 2.211 -0.463 -4.731 1.00 0.22 N ATOM 1113 CA LEU A 75 3.101 -1.613 -4.847 1.00 0.24 C ATOM 1114 C LEU A 75 4.458 -1.165 -5.398 1.00 0.23 C ATOM 1115 O LEU A 75 5.498 -1.407 -4.780 1.00 0.25 O ATOM 1116 CB LEU A 75 2.455 -2.647 -5.790 1.00 0.28 C ATOM 1117 CG LEU A 75 3.206 -3.956 -6.041 1.00 0.36 C ATOM 1118 CD1 LEU A 75 3.315 -4.771 -4.769 1.00 0.42 C ATOM 1119 CD2 LEU A 75 2.510 -4.757 -7.125 1.00 0.47 C ATOM 0 H LEU A 75 1.346 -0.568 -5.261 1.00 0.22 H new ATOM 0 HA LEU A 75 3.258 -2.063 -3.867 1.00 0.24 H new ATOM 0 HB2 LEU A 75 1.473 -2.897 -5.389 1.00 0.28 H new ATOM 0 HB3 LEU A 75 2.293 -2.165 -6.754 1.00 0.28 H new ATOM 0 HG LEU A 75 4.215 -3.714 -6.374 1.00 0.36 H new ATOM 0 HD11 LEU A 75 3.853 -5.696 -4.975 1.00 0.42 H new ATOM 0 HD12 LEU A 75 3.854 -4.198 -4.015 1.00 0.42 H new ATOM 0 HD13 LEU A 75 2.316 -5.006 -4.401 1.00 0.42 H new ATOM 0 HD21 LEU A 75 3.053 -5.687 -7.296 1.00 0.47 H new ATOM 0 HD22 LEU A 75 1.491 -4.984 -6.812 1.00 0.47 H new ATOM 0 HD23 LEU A 75 2.485 -4.177 -8.047 1.00 0.47 H new ATOM 1131 N ASP A 76 4.420 -0.466 -6.535 1.00 0.24 N ATOM 1132 CA ASP A 76 5.624 0.057 -7.207 1.00 0.30 C ATOM 1133 C ASP A 76 6.438 0.958 -6.291 1.00 0.28 C ATOM 1134 O ASP A 76 7.662 0.838 -6.225 1.00 0.31 O ATOM 1135 CB ASP A 76 5.243 0.815 -8.483 1.00 0.40 C ATOM 1136 CG ASP A 76 6.427 1.500 -9.141 1.00 0.57 C ATOM 1137 OD1 ASP A 76 7.351 0.806 -9.616 1.00 0.76 O ATOM 1138 OD2 ASP A 76 6.434 2.747 -9.233 1.00 0.64 O ATOM 0 H ASP A 76 3.552 -0.243 -7.022 1.00 0.24 H new ATOM 0 HA ASP A 76 6.244 -0.800 -7.470 1.00 0.30 H new ATOM 0 HB2 ASP A 76 4.793 0.120 -9.191 1.00 0.40 H new ATOM 0 HB3 ASP A 76 4.485 1.561 -8.243 1.00 0.40 H new ATOM 1143 N LEU A 77 5.747 1.832 -5.574 1.00 0.27 N ATOM 1144 CA LEU A 77 6.364 2.752 -4.623 1.00 0.29 C ATOM 1145 C LEU A 77 7.213 1.995 -3.606 1.00 0.28 C ATOM 1146 O LEU A 77 8.394 2.323 -3.387 1.00 0.33 O ATOM 1147 CB LEU A 77 5.277 3.549 -3.892 1.00 0.32 C ATOM 1148 CG LEU A 77 5.751 4.495 -2.788 1.00 0.43 C ATOM 1149 CD1 LEU A 77 6.626 5.607 -3.351 1.00 0.96 C ATOM 1150 CD2 LEU A 77 4.560 5.057 -2.033 1.00 0.63 C ATOM 0 H LEU A 77 4.733 1.925 -5.635 1.00 0.27 H new ATOM 0 HA LEU A 77 7.010 3.434 -5.176 1.00 0.29 H new ATOM 0 HB2 LEU A 77 4.728 4.134 -4.630 1.00 0.32 H new ATOM 0 HB3 LEU A 77 4.571 2.842 -3.456 1.00 0.32 H new ATOM 0 HG LEU A 77 6.364 3.927 -2.088 1.00 0.43 H new ATOM 0 HD11 LEU A 77 6.947 6.263 -2.542 1.00 0.96 H new ATOM 0 HD12 LEU A 77 7.501 5.172 -3.834 1.00 0.96 H new ATOM 0 HD13 LEU A 77 6.057 6.183 -4.081 1.00 0.96 H new ATOM 0 HD21 LEU A 77 4.910 5.729 -1.250 1.00 0.63 H new ATOM 0 HD22 LEU A 77 3.918 5.606 -2.722 1.00 0.63 H new ATOM 0 HD23 LEU A 77 3.995 4.240 -1.584 1.00 0.63 H new ATOM 1162 N ILE A 78 6.631 0.969 -3.014 1.00 0.25 N ATOM 1163 CA ILE A 78 7.331 0.196 -2.022 1.00 0.28 C ATOM 1164 C ILE A 78 8.397 -0.670 -2.682 1.00 0.30 C ATOM 1165 O ILE A 78 9.504 -0.749 -2.190 1.00 0.34 O ATOM 1166 CB ILE A 78 6.385 -0.669 -1.145 1.00 0.34 C ATOM 1167 CG1 ILE A 78 5.306 0.216 -0.506 1.00 0.40 C ATOM 1168 CG2 ILE A 78 7.187 -1.380 -0.053 1.00 0.40 C ATOM 1169 CD1 ILE A 78 4.392 -0.515 0.458 1.00 0.51 C ATOM 0 H ILE A 78 5.679 0.657 -3.206 1.00 0.25 H new ATOM 0 HA ILE A 78 7.809 0.907 -1.348 1.00 0.28 H new ATOM 0 HB ILE A 78 5.904 -1.416 -1.777 1.00 0.34 H new ATOM 0 HG12 ILE A 78 5.791 1.036 0.023 1.00 0.40 H new ATOM 0 HG13 ILE A 78 4.701 0.660 -1.297 1.00 0.40 H new ATOM 0 HG21 ILE A 78 6.515 -1.984 0.557 1.00 0.40 H new ATOM 0 HG22 ILE A 78 7.937 -2.024 -0.513 1.00 0.40 H new ATOM 0 HG23 ILE A 78 7.681 -0.640 0.576 1.00 0.40 H new ATOM 0 HD11 ILE A 78 3.659 0.182 0.864 1.00 0.51 H new ATOM 0 HD12 ILE A 78 3.876 -1.318 -0.068 1.00 0.51 H new ATOM 0 HD13 ILE A 78 4.983 -0.935 1.272 1.00 0.51 H new ATOM 1181 N ASN A 79 8.071 -1.290 -3.815 1.00 0.34 N ATOM 1182 CA ASN A 79 9.039 -2.131 -4.551 1.00 0.43 C ATOM 1183 C ASN A 79 10.292 -1.349 -4.915 1.00 0.46 C ATOM 1184 O ASN A 79 11.411 -1.840 -4.730 1.00 0.50 O ATOM 1185 CB ASN A 79 8.435 -2.772 -5.814 1.00 0.55 C ATOM 1186 CG ASN A 79 7.443 -3.897 -5.541 1.00 0.62 C ATOM 1187 OD1 ASN A 79 6.518 -4.118 -6.315 1.00 1.33 O ATOM 1188 ND2 ASN A 79 7.637 -4.628 -4.467 1.00 0.84 N ATOM 0 H ASN A 79 7.150 -1.232 -4.249 1.00 0.34 H new ATOM 0 HA ASN A 79 9.309 -2.938 -3.871 1.00 0.43 H new ATOM 0 HB2 ASN A 79 7.935 -1.997 -6.395 1.00 0.55 H new ATOM 0 HB3 ASN A 79 9.245 -3.161 -6.431 1.00 0.55 H new ATOM 0 HD21 ASN A 79 7.009 -5.404 -4.258 1.00 0.84 H new ATOM 0 HD22 ASN A 79 8.416 -4.419 -3.842 1.00 0.84 H new ATOM 1195 N GLY A 80 10.103 -0.124 -5.389 1.00 0.47 N ATOM 1196 CA GLY A 80 11.219 0.738 -5.723 1.00 0.56 C ATOM 1197 C GLY A 80 12.066 1.053 -4.507 1.00 0.55 C ATOM 1198 O GLY A 80 13.293 1.144 -4.598 1.00 0.63 O ATOM 0 H GLY A 80 9.185 0.291 -5.549 1.00 0.47 H new ATOM 0 HA2 GLY A 80 11.836 0.257 -6.482 1.00 0.56 H new ATOM 0 HA3 GLY A 80 10.846 1.666 -6.157 1.00 0.56 H new ATOM 1202 N ALA A 81 11.420 1.198 -3.364 1.00 0.49 N ATOM 1203 CA ALA A 81 12.115 1.458 -2.121 1.00 0.53 C ATOM 1204 C ALA A 81 12.826 0.196 -1.639 1.00 0.50 C ATOM 1205 O ALA A 81 13.941 0.256 -1.159 1.00 0.61 O ATOM 1206 CB ALA A 81 11.148 1.963 -1.058 1.00 0.53 C ATOM 0 H ALA A 81 10.406 1.139 -3.273 1.00 0.49 H new ATOM 0 HA ALA A 81 12.861 2.233 -2.299 1.00 0.53 H new ATOM 0 HB1 ALA A 81 11.691 2.152 -0.132 1.00 0.53 H new ATOM 0 HB2 ALA A 81 10.681 2.887 -1.400 1.00 0.53 H new ATOM 0 HB3 ALA A 81 10.378 1.212 -0.880 1.00 0.53 H new ATOM 1212 N LEU A 82 12.173 -0.935 -1.797 1.00 0.42 N ATOM 1213 CA LEU A 82 12.695 -2.236 -1.383 1.00 0.44 C ATOM 1214 C LEU A 82 13.920 -2.655 -2.178 1.00 0.56 C ATOM 1215 O LEU A 82 14.822 -3.290 -1.645 1.00 0.74 O ATOM 1216 CB LEU A 82 11.614 -3.290 -1.511 1.00 0.40 C ATOM 1217 CG LEU A 82 10.459 -3.195 -0.525 1.00 0.38 C ATOM 1218 CD1 LEU A 82 9.379 -4.168 -0.912 1.00 0.45 C ATOM 1219 CD2 LEU A 82 10.942 -3.497 0.884 1.00 0.46 C ATOM 0 H LEU A 82 11.248 -0.986 -2.223 1.00 0.42 H new ATOM 0 HA LEU A 82 13.004 -2.141 -0.342 1.00 0.44 H new ATOM 0 HB2 LEU A 82 11.207 -3.241 -2.521 1.00 0.40 H new ATOM 0 HB3 LEU A 82 12.078 -4.270 -1.401 1.00 0.40 H new ATOM 0 HG LEU A 82 10.058 -2.182 -0.549 1.00 0.38 H new ATOM 0 HD11 LEU A 82 8.554 -4.097 -0.203 1.00 0.45 H new ATOM 0 HD12 LEU A 82 9.019 -3.932 -1.913 1.00 0.45 H new ATOM 0 HD13 LEU A 82 9.781 -5.181 -0.900 1.00 0.45 H new ATOM 0 HD21 LEU A 82 10.105 -3.425 1.579 1.00 0.46 H new ATOM 0 HD22 LEU A 82 11.357 -4.504 0.918 1.00 0.46 H new ATOM 0 HD23 LEU A 82 11.711 -2.778 1.167 1.00 0.46 H new ATOM 1231 N ALA A 83 13.955 -2.295 -3.447 1.00 0.56 N ATOM 1232 CA ALA A 83 15.091 -2.614 -4.306 1.00 0.71 C ATOM 1233 C ALA A 83 16.274 -1.708 -3.979 1.00 0.84 C ATOM 1234 O ALA A 83 17.413 -1.984 -4.344 1.00 1.00 O ATOM 1235 CB ALA A 83 14.702 -2.482 -5.771 1.00 0.78 C ATOM 0 H ALA A 83 13.208 -1.779 -3.912 1.00 0.56 H new ATOM 0 HA ALA A 83 15.388 -3.647 -4.122 1.00 0.71 H new ATOM 0 HB1 ALA A 83 15.560 -2.723 -6.398 1.00 0.78 H new ATOM 0 HB2 ALA A 83 13.885 -3.168 -5.994 1.00 0.78 H new ATOM 0 HB3 ALA A 83 14.382 -1.460 -5.972 1.00 0.78 H new ATOM 1241 N GLU A 84 15.979 -0.637 -3.280 1.00 0.89 N ATOM 1242 CA GLU A 84 16.956 0.348 -2.876 1.00 1.12 C ATOM 1243 C GLU A 84 17.296 0.166 -1.383 1.00 1.10 C ATOM 1244 O GLU A 84 18.209 0.801 -0.844 1.00 1.37 O ATOM 1245 CB GLU A 84 16.358 1.737 -3.133 1.00 1.34 C ATOM 1246 CG GLU A 84 17.244 2.907 -2.776 1.00 1.96 C ATOM 1247 CD GLU A 84 16.598 4.208 -3.105 1.00 2.48 C ATOM 1248 OE1 GLU A 84 16.766 4.689 -4.238 1.00 3.17 O ATOM 1249 OE2 GLU A 84 15.895 4.772 -2.243 1.00 2.77 O ATOM 0 H GLU A 84 15.032 -0.421 -2.969 1.00 0.89 H new ATOM 0 HA GLU A 84 17.879 0.233 -3.445 1.00 1.12 H new ATOM 0 HB2 GLU A 84 16.098 1.811 -4.189 1.00 1.34 H new ATOM 0 HB3 GLU A 84 15.429 1.823 -2.569 1.00 1.34 H new ATOM 0 HG2 GLU A 84 17.477 2.875 -1.712 1.00 1.96 H new ATOM 0 HG3 GLU A 84 18.189 2.824 -3.312 1.00 1.96 H new ATOM 1256 N ALA A 85 16.585 -0.720 -0.744 1.00 1.08 N ATOM 1257 CA ALA A 85 16.732 -0.933 0.670 1.00 1.24 C ATOM 1258 C ALA A 85 17.933 -1.798 0.956 1.00 1.57 C ATOM 1259 O ALA A 85 18.287 -2.670 0.158 1.00 1.86 O ATOM 1260 CB ALA A 85 15.473 -1.563 1.245 1.00 1.36 C ATOM 0 H ALA A 85 15.886 -1.316 -1.188 1.00 1.08 H new ATOM 0 HA ALA A 85 16.886 0.034 1.149 1.00 1.24 H new ATOM 0 HB1 ALA A 85 15.600 -1.718 2.316 1.00 1.36 H new ATOM 0 HB2 ALA A 85 14.624 -0.902 1.072 1.00 1.36 H new ATOM 0 HB3 ALA A 85 15.291 -2.522 0.759 1.00 1.36 H new