USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -150:sc= 0 USER MOD Single : A 27 SER OG : rot 93:sc= 0.807 USER MOD Single : A 40 TYR OH : rot 31:sc= 0.189 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 139:sc= -0.425 (180deg=-3.27!) USER MOD Single : A 48 THR OG1 : rot 58:sc= 1.14 USER MOD Single : A 54 SER OG : rot 17:sc= 0.515 USER MOD Single : A 56 TYR OH : rot 30:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -43:sc= 0.114 USER MOD Single : A 79 ASN : amide:sc= 1.17 K(o=1.2,f=-8.1!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 13.767 -3.787 2.863 1.00 0.80 N ATOM 45 CA LEU A 4 12.828 -3.754 1.778 1.00 0.65 C ATOM 46 C LEU A 4 11.512 -4.416 2.189 1.00 0.68 C ATOM 47 O LEU A 4 11.506 -5.364 2.982 1.00 0.86 O ATOM 48 CB LEU A 4 13.451 -4.504 0.594 1.00 0.70 C ATOM 49 CG LEU A 4 13.012 -4.079 -0.791 1.00 0.69 C ATOM 50 CD1 LEU A 4 13.542 -2.680 -1.090 1.00 0.70 C ATOM 51 CD2 LEU A 4 13.499 -5.071 -1.835 1.00 1.01 C ATOM 0 HA LEU A 4 12.610 -2.722 1.502 1.00 0.65 H new ATOM 0 HB2 LEU A 4 14.534 -4.396 0.655 1.00 0.70 H new ATOM 0 HB3 LEU A 4 13.230 -5.565 0.710 1.00 0.70 H new ATOM 0 HG LEU A 4 11.923 -4.060 -0.828 1.00 0.69 H new ATOM 0 HD11 LEU A 4 13.225 -2.376 -2.088 1.00 0.70 H new ATOM 0 HD12 LEU A 4 13.150 -1.977 -0.355 1.00 0.70 H new ATOM 0 HD13 LEU A 4 14.631 -2.685 -1.042 1.00 0.70 H new ATOM 0 HD21 LEU A 4 13.173 -4.748 -2.824 1.00 1.01 H new ATOM 0 HD22 LEU A 4 14.588 -5.121 -1.810 1.00 1.01 H new ATOM 0 HD23 LEU A 4 13.086 -6.057 -1.621 1.00 1.01 H new ATOM 63 N LEU A 5 10.417 -3.923 1.667 1.00 0.60 N ATOM 64 CA LEU A 5 9.123 -4.501 1.951 1.00 0.64 C ATOM 65 C LEU A 5 8.835 -5.659 1.046 1.00 0.59 C ATOM 66 O LEU A 5 8.976 -5.553 -0.177 1.00 0.61 O ATOM 67 CB LEU A 5 7.995 -3.480 1.825 1.00 0.69 C ATOM 68 CG LEU A 5 7.793 -2.523 2.981 1.00 0.90 C ATOM 69 CD1 LEU A 5 6.684 -1.548 2.641 1.00 1.61 C ATOM 70 CD2 LEU A 5 7.419 -3.298 4.227 1.00 1.54 C ATOM 0 H LEU A 5 10.394 -3.119 1.040 1.00 0.60 H new ATOM 0 HA LEU A 5 9.165 -4.847 2.984 1.00 0.64 H new ATOM 0 HB2 LEU A 5 8.173 -2.890 0.926 1.00 0.69 H new ATOM 0 HB3 LEU A 5 7.063 -4.024 1.670 1.00 0.69 H new ATOM 0 HG LEU A 5 8.718 -1.976 3.161 1.00 0.90 H new ATOM 0 HD11 LEU A 5 6.538 -0.859 3.473 1.00 1.61 H new ATOM 0 HD12 LEU A 5 6.955 -0.986 1.747 1.00 1.61 H new ATOM 0 HD13 LEU A 5 5.760 -2.097 2.458 1.00 1.61 H new ATOM 0 HD21 LEU A 5 7.275 -2.606 5.056 1.00 1.54 H new ATOM 0 HD22 LEU A 5 6.495 -3.849 4.049 1.00 1.54 H new ATOM 0 HD23 LEU A 5 8.217 -3.998 4.473 1.00 1.54 H new ATOM 82 N THR A 6 8.452 -6.751 1.637 1.00 0.61 N ATOM 83 CA THR A 6 8.040 -7.900 0.902 1.00 0.63 C ATOM 84 C THR A 6 6.521 -7.938 0.857 1.00 0.57 C ATOM 85 O THR A 6 5.865 -7.083 1.480 1.00 0.59 O ATOM 86 CB THR A 6 8.605 -9.187 1.526 1.00 0.79 C ATOM 87 OG1 THR A 6 8.467 -9.118 2.969 1.00 0.95 O ATOM 88 CG2 THR A 6 10.070 -9.364 1.152 1.00 0.97 C ATOM 0 H THR A 6 8.418 -6.866 2.650 1.00 0.61 H new ATOM 0 HA THR A 6 8.430 -7.837 -0.114 1.00 0.63 H new ATOM 0 HB THR A 6 8.048 -10.043 1.144 1.00 0.79 H new ATOM 0 HG1 THR A 6 8.824 -9.937 3.371 1.00 0.95 H new ATOM 0 HG21 THR A 6 10.452 -10.280 1.603 1.00 0.97 H new ATOM 0 HG22 THR A 6 10.164 -9.426 0.068 1.00 0.97 H new ATOM 0 HG23 THR A 6 10.644 -8.513 1.517 1.00 0.97 H new ATOM 96 N THR A 7 5.956 -8.919 0.198 1.00 0.60 N ATOM 97 CA THR A 7 4.523 -9.020 0.097 1.00 0.59 C ATOM 98 C THR A 7 3.919 -9.392 1.472 1.00 0.53 C ATOM 99 O THR A 7 2.848 -8.915 1.837 1.00 0.56 O ATOM 100 CB THR A 7 4.141 -10.031 -1.007 1.00 0.69 C ATOM 101 OG1 THR A 7 4.873 -9.678 -2.200 1.00 0.90 O ATOM 102 CG2 THR A 7 2.643 -9.970 -1.323 1.00 0.81 C ATOM 0 H THR A 7 6.469 -9.661 -0.278 1.00 0.60 H new ATOM 0 HA THR A 7 4.105 -8.055 -0.189 1.00 0.59 H new ATOM 0 HB THR A 7 4.381 -11.038 -0.666 1.00 0.69 H new ATOM 0 HG1 THR A 7 4.650 -10.306 -2.918 1.00 0.90 H new ATOM 0 HG21 THR A 7 2.406 -10.693 -2.103 1.00 0.81 H new ATOM 0 HG22 THR A 7 2.072 -10.205 -0.425 1.00 0.81 H new ATOM 0 HG23 THR A 7 2.384 -8.968 -1.666 1.00 0.81 H new ATOM 110 N ASP A 8 4.657 -10.192 2.251 1.00 0.54 N ATOM 111 CA ASP A 8 4.241 -10.561 3.621 1.00 0.54 C ATOM 112 C ASP A 8 4.215 -9.354 4.523 1.00 0.52 C ATOM 113 O ASP A 8 3.258 -9.142 5.267 1.00 0.54 O ATOM 114 CB ASP A 8 5.185 -11.600 4.259 1.00 0.63 C ATOM 115 CG ASP A 8 4.884 -13.038 3.905 1.00 1.48 C ATOM 116 OD1 ASP A 8 4.774 -13.348 2.701 1.00 2.26 O ATOM 117 OD2 ASP A 8 4.679 -13.873 4.804 1.00 1.98 O ATOM 0 H ASP A 8 5.546 -10.599 1.961 1.00 0.54 H new ATOM 0 HA ASP A 8 3.244 -10.990 3.523 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.208 -11.374 3.957 1.00 0.63 H new ATOM 0 HB3 ASP A 8 5.141 -11.491 5.343 1.00 0.63 H new ATOM 122 N ASP A 9 5.260 -8.547 4.447 1.00 0.57 N ATOM 123 CA ASP A 9 5.376 -7.393 5.333 1.00 0.64 C ATOM 124 C ASP A 9 4.407 -6.305 4.898 1.00 0.59 C ATOM 125 O ASP A 9 3.827 -5.596 5.730 1.00 0.63 O ATOM 126 CB ASP A 9 6.804 -6.859 5.377 1.00 0.79 C ATOM 127 CG ASP A 9 7.132 -6.216 6.714 1.00 1.60 C ATOM 128 OD1 ASP A 9 6.649 -5.111 7.020 1.00 2.47 O ATOM 129 OD2 ASP A 9 7.859 -6.853 7.505 1.00 1.70 O ATOM 0 H ASP A 9 6.033 -8.664 3.791 1.00 0.57 H new ATOM 0 HA ASP A 9 5.120 -7.714 6.343 1.00 0.64 H new ATOM 0 HB2 ASP A 9 7.502 -7.674 5.186 1.00 0.79 H new ATOM 0 HB3 ASP A 9 6.942 -6.128 4.580 1.00 0.79 H new ATOM 134 N LEU A 10 4.199 -6.190 3.585 1.00 0.54 N ATOM 135 CA LEU A 10 3.216 -5.258 3.047 1.00 0.54 C ATOM 136 C LEU A 10 1.829 -5.682 3.484 1.00 0.53 C ATOM 137 O LEU A 10 1.001 -4.850 3.804 1.00 0.59 O ATOM 138 CB LEU A 10 3.255 -5.197 1.520 1.00 0.55 C ATOM 139 CG LEU A 10 2.252 -4.223 0.885 1.00 0.59 C ATOM 140 CD1 LEU A 10 2.619 -2.779 1.199 1.00 0.70 C ATOM 141 CD2 LEU A 10 2.131 -4.454 -0.612 1.00 0.65 C ATOM 0 H LEU A 10 4.699 -6.731 2.879 1.00 0.54 H new ATOM 0 HA LEU A 10 3.459 -4.267 3.431 1.00 0.54 H new ATOM 0 HB2 LEU A 10 4.260 -4.915 1.208 1.00 0.55 H new ATOM 0 HB3 LEU A 10 3.068 -6.196 1.126 1.00 0.55 H new ATOM 0 HG LEU A 10 1.273 -4.418 1.324 1.00 0.59 H new ATOM 0 HD11 LEU A 10 1.892 -2.110 0.737 1.00 0.70 H new ATOM 0 HD12 LEU A 10 2.615 -2.629 2.279 1.00 0.70 H new ATOM 0 HD13 LEU A 10 3.612 -2.562 0.806 1.00 0.70 H new ATOM 0 HD21 LEU A 10 1.414 -3.749 -1.032 1.00 0.65 H new ATOM 0 HD22 LEU A 10 3.103 -4.306 -1.083 1.00 0.65 H new ATOM 0 HD23 LEU A 10 1.789 -5.473 -0.797 1.00 0.65 H new ATOM 153 N ARG A 11 1.593 -6.993 3.494 1.00 0.49 N ATOM 154 CA ARG A 11 0.333 -7.560 3.951 1.00 0.50 C ATOM 155 C ARG A 11 0.073 -7.109 5.363 1.00 0.54 C ATOM 156 O ARG A 11 -1.000 -6.627 5.662 1.00 0.63 O ATOM 157 CB ARG A 11 0.364 -9.086 3.876 1.00 0.51 C ATOM 158 CG ARG A 11 -0.947 -9.766 4.236 1.00 0.61 C ATOM 159 CD ARG A 11 -0.866 -11.272 4.041 1.00 0.72 C ATOM 160 NE ARG A 11 0.152 -11.884 4.897 1.00 0.96 N ATOM 161 CZ ARG A 11 0.663 -13.110 4.735 1.00 1.24 C ATOM 162 NH1 ARG A 11 0.279 -13.875 3.693 1.00 1.65 N ATOM 163 NH2 ARG A 11 1.564 -13.569 5.606 1.00 1.80 N ATOM 0 H ARG A 11 2.272 -7.689 3.185 1.00 0.49 H new ATOM 0 HA ARG A 11 -0.471 -7.211 3.303 1.00 0.50 H new ATOM 0 HB2 ARG A 11 0.645 -9.381 2.865 1.00 0.51 H new ATOM 0 HB3 ARG A 11 1.144 -9.453 4.543 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.200 -9.545 5.273 1.00 0.61 H new ATOM 0 HG3 ARG A 11 -1.749 -9.361 3.619 1.00 0.61 H new ATOM 0 HD2 ARG A 11 -1.837 -11.718 4.257 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -0.640 -11.490 2.997 1.00 0.72 H new ATOM 0 HE ARG A 11 0.500 -11.331 5.680 1.00 0.96 H new ATOM 0 HH11 ARG A 11 -0.404 -13.520 3.024 1.00 1.65 H new ATOM 0 HH12 ARG A 11 0.672 -14.809 3.574 1.00 1.65 H new ATOM 0 HH21 ARG A 11 1.859 -12.986 6.389 1.00 1.80 H new ATOM 0 HH22 ARG A 11 1.957 -14.503 5.488 1.00 1.80 H new ATOM 177 N ARG A 12 1.098 -7.224 6.207 1.00 0.54 N ATOM 178 CA ARG A 12 1.048 -6.757 7.596 1.00 0.60 C ATOM 179 C ARG A 12 0.569 -5.313 7.662 1.00 0.58 C ATOM 180 O ARG A 12 -0.361 -4.997 8.401 1.00 0.66 O ATOM 181 CB ARG A 12 2.425 -6.831 8.241 1.00 0.68 C ATOM 182 CG ARG A 12 2.960 -8.218 8.496 1.00 0.80 C ATOM 183 CD ARG A 12 4.406 -8.161 8.982 1.00 0.96 C ATOM 184 NE ARG A 12 4.607 -7.167 10.066 1.00 1.50 N ATOM 185 CZ ARG A 12 4.915 -7.463 11.342 1.00 2.02 C ATOM 186 NH1 ARG A 12 4.985 -8.729 11.727 1.00 2.23 N ATOM 187 NH2 ARG A 12 5.156 -6.486 12.230 1.00 2.93 N ATOM 0 H ARG A 12 1.990 -7.645 5.948 1.00 0.54 H new ATOM 0 HA ARG A 12 0.353 -7.404 8.131 1.00 0.60 H new ATOM 0 HB2 ARG A 12 3.133 -6.301 7.603 1.00 0.68 H new ATOM 0 HB3 ARG A 12 2.389 -6.296 9.190 1.00 0.68 H new ATOM 0 HG2 ARG A 12 2.341 -8.720 9.240 1.00 0.80 H new ATOM 0 HG3 ARG A 12 2.902 -8.809 7.582 1.00 0.80 H new ATOM 0 HD2 ARG A 12 4.704 -9.147 9.339 1.00 0.96 H new ATOM 0 HD3 ARG A 12 5.057 -7.915 8.143 1.00 0.96 H new ATOM 0 HE ARG A 12 4.503 -6.181 9.824 1.00 1.50 H new ATOM 0 HH11 ARG A 12 4.806 -9.477 11.057 1.00 2.23 H new ATOM 0 HH12 ARG A 12 5.218 -8.956 12.694 1.00 2.23 H new ATOM 0 HH21 ARG A 12 5.106 -5.509 11.940 1.00 2.93 H new ATOM 0 HH22 ARG A 12 5.389 -6.720 13.195 1.00 2.93 H new ATOM 201 N ALA A 13 1.198 -4.459 6.863 1.00 0.54 N ATOM 202 CA ALA A 13 0.872 -3.038 6.814 1.00 0.58 C ATOM 203 C ALA A 13 -0.536 -2.813 6.299 1.00 0.56 C ATOM 204 O ALA A 13 -1.272 -1.987 6.820 1.00 0.65 O ATOM 205 CB ALA A 13 1.862 -2.289 5.941 1.00 0.66 C ATOM 0 H ALA A 13 1.950 -4.732 6.230 1.00 0.54 H new ATOM 0 HA ALA A 13 0.933 -2.654 7.832 1.00 0.58 H new ATOM 0 HB1 ALA A 13 1.600 -1.231 5.919 1.00 0.66 H new ATOM 0 HB2 ALA A 13 2.867 -2.405 6.348 1.00 0.66 H new ATOM 0 HB3 ALA A 13 1.832 -2.692 4.929 1.00 0.66 H new ATOM 211 N LEU A 14 -0.914 -3.557 5.293 1.00 0.53 N ATOM 212 CA LEU A 14 -2.214 -3.422 4.708 1.00 0.59 C ATOM 213 C LEU A 14 -3.313 -3.947 5.675 1.00 0.75 C ATOM 214 O LEU A 14 -4.469 -3.618 5.533 1.00 1.02 O ATOM 215 CB LEU A 14 -2.243 -4.116 3.341 1.00 0.54 C ATOM 216 CG LEU A 14 -3.387 -3.730 2.402 1.00 0.62 C ATOM 217 CD1 LEU A 14 -3.331 -2.242 2.084 1.00 0.62 C ATOM 218 CD2 LEU A 14 -3.304 -4.532 1.122 1.00 1.06 C ATOM 0 H LEU A 14 -0.328 -4.271 4.860 1.00 0.53 H new ATOM 0 HA LEU A 14 -2.431 -2.367 4.542 1.00 0.59 H new ATOM 0 HB2 LEU A 14 -1.301 -3.909 2.834 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -2.286 -5.193 3.506 1.00 0.54 H new ATOM 0 HG LEU A 14 -4.332 -3.949 2.899 1.00 0.62 H new ATOM 0 HD11 LEU A 14 -4.151 -1.982 1.415 1.00 0.62 H new ATOM 0 HD12 LEU A 14 -3.420 -1.669 3.007 1.00 0.62 H new ATOM 0 HD13 LEU A 14 -2.382 -2.008 1.602 1.00 0.62 H new ATOM 0 HD21 LEU A 14 -4.123 -4.249 0.461 1.00 1.06 H new ATOM 0 HD22 LEU A 14 -2.353 -4.331 0.628 1.00 1.06 H new ATOM 0 HD23 LEU A 14 -3.375 -5.595 1.353 1.00 1.06 H new ATOM 230 N VAL A 15 -2.931 -4.769 6.651 1.00 0.71 N ATOM 231 CA VAL A 15 -3.867 -5.217 7.698 1.00 0.83 C ATOM 232 C VAL A 15 -4.064 -4.097 8.730 1.00 0.85 C ATOM 233 O VAL A 15 -5.158 -3.912 9.275 1.00 0.98 O ATOM 234 CB VAL A 15 -3.350 -6.489 8.440 1.00 0.89 C ATOM 235 CG1 VAL A 15 -4.294 -6.907 9.568 1.00 1.02 C ATOM 236 CG2 VAL A 15 -3.166 -7.644 7.483 1.00 0.91 C ATOM 0 H VAL A 15 -1.986 -5.141 6.744 1.00 0.71 H new ATOM 0 HA VAL A 15 -4.809 -5.462 7.207 1.00 0.83 H new ATOM 0 HB VAL A 15 -2.384 -6.229 8.873 1.00 0.89 H new ATOM 0 HG11 VAL A 15 -3.901 -7.796 10.061 1.00 1.02 H new ATOM 0 HG12 VAL A 15 -4.376 -6.097 10.292 1.00 1.02 H new ATOM 0 HG13 VAL A 15 -5.279 -7.127 9.156 1.00 1.02 H new ATOM 0 HG21 VAL A 15 -2.805 -8.515 8.029 1.00 0.91 H new ATOM 0 HG22 VAL A 15 -4.120 -7.881 7.011 1.00 0.91 H new ATOM 0 HG23 VAL A 15 -2.440 -7.370 6.717 1.00 0.91 H new ATOM 246 N GLU A 16 -3.008 -3.337 8.957 1.00 0.81 N ATOM 247 CA GLU A 16 -2.985 -2.229 9.928 1.00 0.87 C ATOM 248 C GLU A 16 -4.068 -1.199 9.627 1.00 0.89 C ATOM 249 O GLU A 16 -4.760 -0.719 10.523 1.00 1.05 O ATOM 250 CB GLU A 16 -1.613 -1.556 9.888 1.00 0.91 C ATOM 251 CG GLU A 16 -0.476 -2.470 10.290 1.00 1.00 C ATOM 252 CD GLU A 16 -0.344 -2.624 11.779 1.00 1.30 C ATOM 253 OE1 GLU A 16 -1.306 -3.023 12.449 1.00 1.90 O ATOM 254 OE2 GLU A 16 0.729 -2.284 12.314 1.00 1.91 O ATOM 0 H GLU A 16 -2.121 -3.465 8.470 1.00 0.81 H new ATOM 0 HA GLU A 16 -3.178 -2.638 10.920 1.00 0.87 H new ATOM 0 HB2 GLU A 16 -1.430 -1.184 8.880 1.00 0.91 H new ATOM 0 HB3 GLU A 16 -1.623 -0.690 10.550 1.00 0.91 H new ATOM 0 HG2 GLU A 16 -0.630 -3.451 9.841 1.00 1.00 H new ATOM 0 HG3 GLU A 16 0.458 -2.078 9.887 1.00 1.00 H new ATOM 261 N SER A 17 -4.225 -0.881 8.371 1.00 0.82 N ATOM 262 CA SER A 17 -5.215 0.093 7.954 1.00 0.93 C ATOM 263 C SER A 17 -6.585 -0.587 7.713 1.00 1.03 C ATOM 264 O SER A 17 -7.633 0.072 7.673 1.00 1.22 O ATOM 265 CB SER A 17 -4.716 0.796 6.692 1.00 0.96 C ATOM 266 OG SER A 17 -3.406 1.321 6.899 1.00 1.58 O ATOM 0 H SER A 17 -3.679 -1.282 7.608 1.00 0.82 H new ATOM 0 HA SER A 17 -5.356 0.832 8.742 1.00 0.93 H new ATOM 0 HB2 SER A 17 -4.706 0.095 5.858 1.00 0.96 H new ATOM 0 HB3 SER A 17 -5.399 1.602 6.423 1.00 0.96 H new ATOM 0 HG SER A 17 -3.283 2.121 6.346 1.00 1.58 H new ATOM 351 N ASP A 25 -9.964 -10.193 3.463 1.00 1.06 N ATOM 352 CA ASP A 25 -8.873 -11.126 3.697 1.00 1.14 C ATOM 353 C ASP A 25 -7.759 -10.903 2.706 1.00 0.91 C ATOM 354 O ASP A 25 -8.001 -10.581 1.539 1.00 1.11 O ATOM 355 CB ASP A 25 -9.325 -12.593 3.665 1.00 1.52 C ATOM 356 CG ASP A 25 -8.146 -13.533 3.845 1.00 1.99 C ATOM 357 OD1 ASP A 25 -7.703 -13.732 4.989 1.00 2.49 O ATOM 358 OD2 ASP A 25 -7.695 -14.151 2.850 1.00 2.41 O ATOM 0 HA ASP A 25 -8.506 -10.927 4.704 1.00 1.14 H new ATOM 0 HB2 ASP A 25 -10.057 -12.768 4.453 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -9.820 -12.803 2.717 1.00 1.52 H new ATOM 363 N LEU A 26 -6.545 -11.049 3.186 1.00 0.84 N ATOM 364 CA LEU A 26 -5.353 -10.846 2.402 1.00 0.77 C ATOM 365 C LEU A 26 -4.518 -12.123 2.404 1.00 0.86 C ATOM 366 O LEU A 26 -3.368 -12.126 1.954 1.00 1.05 O ATOM 367 CB LEU A 26 -4.492 -9.699 2.996 1.00 0.94 C ATOM 368 CG LEU A 26 -5.007 -8.238 2.920 1.00 0.85 C ATOM 369 CD1 LEU A 26 -6.259 -8.006 3.758 1.00 1.22 C ATOM 370 CD2 LEU A 26 -3.914 -7.301 3.365 1.00 1.11 C ATOM 0 H LEU A 26 -6.357 -11.318 4.152 1.00 0.84 H new ATOM 0 HA LEU A 26 -5.653 -10.585 1.387 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -4.321 -9.930 4.047 1.00 0.94 H new ATOM 0 HB3 LEU A 26 -3.522 -9.729 2.501 1.00 0.94 H new ATOM 0 HG LEU A 26 -5.281 -8.043 1.883 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -6.572 -6.966 3.665 1.00 1.22 H new ATOM 0 HD12 LEU A 26 -7.058 -8.658 3.406 1.00 1.22 H new ATOM 0 HD13 LEU A 26 -6.043 -8.228 4.803 1.00 1.22 H new ATOM 0 HD21 LEU A 26 -4.272 -6.273 3.313 1.00 1.11 H new ATOM 0 HD22 LEU A 26 -3.630 -7.535 4.391 1.00 1.11 H new ATOM 0 HD23 LEU A 26 -3.048 -7.417 2.713 1.00 1.11 H new ATOM 382 N SER A 27 -5.096 -13.208 2.872 1.00 0.96 N ATOM 383 CA SER A 27 -4.354 -14.437 3.063 1.00 1.13 C ATOM 384 C SER A 27 -4.473 -15.333 1.854 1.00 1.20 C ATOM 385 O SER A 27 -3.621 -16.178 1.593 1.00 1.66 O ATOM 386 CB SER A 27 -4.816 -15.140 4.330 1.00 1.36 C ATOM 387 OG SER A 27 -4.935 -14.205 5.393 1.00 1.89 O ATOM 0 H SER A 27 -6.082 -13.265 3.128 1.00 0.96 H new ATOM 0 HA SER A 27 -3.298 -14.193 3.181 1.00 1.13 H new ATOM 0 HB2 SER A 27 -5.775 -15.627 4.155 1.00 1.36 H new ATOM 0 HB3 SER A 27 -4.106 -15.921 4.601 1.00 1.36 H new ATOM 0 HG SER A 27 -5.856 -13.874 5.436 1.00 1.89 H new ATOM 393 N GLY A 28 -5.508 -15.121 1.123 1.00 1.48 N ATOM 394 CA GLY A 28 -5.724 -15.842 -0.128 1.00 1.67 C ATOM 395 C GLY A 28 -5.027 -15.143 -1.279 1.00 1.54 C ATOM 396 O GLY A 28 -5.185 -15.520 -2.447 1.00 2.30 O ATOM 0 H GLY A 28 -6.240 -14.450 1.354 1.00 1.48 H new ATOM 0 HA2 GLY A 28 -5.349 -16.861 -0.035 1.00 1.67 H new ATOM 0 HA3 GLY A 28 -6.792 -15.913 -0.333 1.00 1.67 H new ATOM 400 N ASP A 29 -4.217 -14.160 -0.909 1.00 1.09 N ATOM 401 CA ASP A 29 -3.479 -13.273 -1.782 1.00 1.07 C ATOM 402 C ASP A 29 -4.278 -12.118 -2.251 1.00 0.87 C ATOM 403 O ASP A 29 -5.352 -12.247 -2.819 1.00 1.13 O ATOM 404 CB ASP A 29 -2.667 -13.930 -2.898 1.00 1.48 C ATOM 405 CG ASP A 29 -1.307 -14.378 -2.436 1.00 2.24 C ATOM 406 OD1 ASP A 29 -1.181 -15.500 -1.919 1.00 2.56 O ATOM 407 OD2 ASP A 29 -0.332 -13.612 -2.578 1.00 2.97 O ATOM 0 H ASP A 29 -4.051 -13.952 0.076 1.00 1.09 H new ATOM 0 HA ASP A 29 -2.706 -12.881 -1.121 1.00 1.07 H new ATOM 0 HB2 ASP A 29 -3.216 -14.788 -3.285 1.00 1.48 H new ATOM 0 HB3 ASP A 29 -2.553 -13.226 -3.722 1.00 1.48 H new ATOM 412 N PHE A 30 -3.757 -10.984 -1.942 1.00 0.67 N ATOM 413 CA PHE A 30 -4.326 -9.712 -2.287 1.00 0.57 C ATOM 414 C PHE A 30 -3.477 -9.092 -3.390 1.00 0.49 C ATOM 415 O PHE A 30 -3.783 -8.044 -3.919 1.00 0.48 O ATOM 416 CB PHE A 30 -4.289 -8.803 -1.034 1.00 0.59 C ATOM 417 CG PHE A 30 -2.882 -8.561 -0.504 1.00 0.55 C ATOM 418 CD1 PHE A 30 -2.250 -9.518 0.271 1.00 0.64 C ATOM 419 CD2 PHE A 30 -2.208 -7.372 -0.766 1.00 0.58 C ATOM 420 CE1 PHE A 30 -0.983 -9.300 0.774 1.00 0.74 C ATOM 421 CE2 PHE A 30 -0.950 -7.153 -0.260 1.00 0.65 C ATOM 422 CZ PHE A 30 -0.298 -8.124 0.413 1.00 0.73 C ATOM 0 H PHE A 30 -2.885 -10.905 -1.419 1.00 0.67 H new ATOM 0 HA PHE A 30 -5.354 -9.825 -2.630 1.00 0.57 H new ATOM 0 HB2 PHE A 30 -4.748 -7.844 -1.276 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -4.893 -9.256 -0.248 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -2.755 -10.448 0.485 1.00 0.64 H new ATOM 0 HD2 PHE A 30 -2.679 -6.613 -1.374 1.00 0.58 H new ATOM 0 HE1 PHE A 30 -0.524 -10.021 1.435 1.00 0.74 H new ATOM 0 HE2 PHE A 30 -0.477 -6.193 -0.402 1.00 0.65 H new ATOM 0 HZ PHE A 30 0.743 -8.000 0.673 1.00 0.73 H new ATOM 432 N LEU A 31 -2.412 -9.795 -3.732 1.00 0.54 N ATOM 433 CA LEU A 31 -1.400 -9.307 -4.651 1.00 0.60 C ATOM 434 C LEU A 31 -1.912 -9.371 -6.081 1.00 0.63 C ATOM 435 O LEU A 31 -1.583 -8.535 -6.917 1.00 0.72 O ATOM 436 CB LEU A 31 -0.142 -10.165 -4.491 1.00 0.75 C ATOM 437 CG LEU A 31 1.100 -9.713 -5.248 1.00 0.82 C ATOM 438 CD1 LEU A 31 1.573 -8.360 -4.745 1.00 0.75 C ATOM 439 CD2 LEU A 31 2.197 -10.751 -5.117 1.00 1.43 C ATOM 0 H LEU A 31 -2.224 -10.732 -3.375 1.00 0.54 H new ATOM 0 HA LEU A 31 -1.165 -8.267 -4.426 1.00 0.60 H new ATOM 0 HB2 LEU A 31 0.105 -10.211 -3.430 1.00 0.75 H new ATOM 0 HB3 LEU A 31 -0.381 -11.180 -4.807 1.00 0.75 H new ATOM 0 HG LEU A 31 0.847 -9.608 -6.303 1.00 0.82 H new ATOM 0 HD11 LEU A 31 2.461 -8.056 -5.299 1.00 0.75 H new ATOM 0 HD12 LEU A 31 0.784 -7.622 -4.890 1.00 0.75 H new ATOM 0 HD13 LEU A 31 1.814 -8.430 -3.684 1.00 0.75 H new ATOM 0 HD21 LEU A 31 3.080 -10.418 -5.662 1.00 1.43 H new ATOM 0 HD22 LEU A 31 2.448 -10.884 -4.065 1.00 1.43 H new ATOM 0 HD23 LEU A 31 1.852 -11.699 -5.530 1.00 1.43 H new ATOM 451 N ASP A 32 -2.740 -10.348 -6.316 1.00 0.66 N ATOM 452 CA ASP A 32 -3.367 -10.626 -7.606 1.00 0.83 C ATOM 453 C ASP A 32 -4.802 -10.124 -7.563 1.00 0.73 C ATOM 454 O ASP A 32 -5.651 -10.509 -8.380 1.00 0.96 O ATOM 455 CB ASP A 32 -3.375 -12.148 -7.813 1.00 1.10 C ATOM 456 CG ASP A 32 -4.183 -12.876 -6.739 1.00 1.70 C ATOM 457 OD1 ASP A 32 -3.895 -12.715 -5.535 1.00 2.33 O ATOM 458 OD2 ASP A 32 -5.106 -13.628 -7.081 1.00 2.26 O ATOM 0 H ASP A 32 -3.018 -11.010 -5.591 1.00 0.66 H new ATOM 0 HA ASP A 32 -2.826 -10.136 -8.415 1.00 0.83 H new ATOM 0 HB2 ASP A 32 -3.791 -12.377 -8.794 1.00 1.10 H new ATOM 0 HB3 ASP A 32 -2.350 -12.519 -7.807 1.00 1.10 H new ATOM 463 N LEU A 33 -5.048 -9.247 -6.643 1.00 0.50 N ATOM 464 CA LEU A 33 -6.357 -8.747 -6.370 1.00 0.50 C ATOM 465 C LEU A 33 -6.308 -7.213 -6.500 1.00 0.50 C ATOM 466 O LEU A 33 -5.235 -6.654 -6.750 1.00 0.78 O ATOM 467 CB LEU A 33 -6.724 -9.196 -4.949 1.00 0.49 C ATOM 468 CG LEU A 33 -8.178 -9.117 -4.527 1.00 0.64 C ATOM 469 CD1 LEU A 33 -9.039 -10.018 -5.408 1.00 0.77 C ATOM 470 CD2 LEU A 33 -8.296 -9.538 -3.076 1.00 0.70 C ATOM 0 H LEU A 33 -4.324 -8.848 -6.045 1.00 0.50 H new ATOM 0 HA LEU A 33 -7.111 -9.122 -7.061 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -6.399 -10.230 -4.832 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -6.141 -8.597 -4.249 1.00 0.49 H new ATOM 0 HG LEU A 33 -8.531 -8.092 -4.640 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -10.080 -9.949 -5.091 1.00 0.77 H new ATOM 0 HD12 LEU A 33 -8.954 -9.700 -6.447 1.00 0.77 H new ATOM 0 HD13 LEU A 33 -8.699 -11.049 -5.316 1.00 0.77 H new ATOM 0 HD21 LEU A 33 -9.339 -9.484 -2.765 1.00 0.70 H new ATOM 0 HD22 LEU A 33 -7.937 -10.561 -2.964 1.00 0.70 H new ATOM 0 HD23 LEU A 33 -7.697 -8.873 -2.454 1.00 0.70 H new ATOM 482 N ARG A 34 -7.429 -6.539 -6.320 1.00 0.34 N ATOM 483 CA ARG A 34 -7.478 -5.094 -6.504 1.00 0.37 C ATOM 484 C ARG A 34 -7.907 -4.451 -5.202 1.00 0.35 C ATOM 485 O ARG A 34 -8.572 -5.101 -4.382 1.00 0.40 O ATOM 486 CB ARG A 34 -8.470 -4.717 -7.622 1.00 0.45 C ATOM 487 CG ARG A 34 -8.223 -5.415 -8.960 1.00 0.60 C ATOM 488 CD ARG A 34 -9.223 -4.971 -10.024 1.00 1.01 C ATOM 489 NE ARG A 34 -9.016 -3.572 -10.416 1.00 1.74 N ATOM 490 CZ ARG A 34 -9.952 -2.726 -10.860 1.00 2.51 C ATOM 491 NH1 ARG A 34 -11.208 -3.124 -11.017 1.00 2.74 N ATOM 492 NH2 ARG A 34 -9.609 -1.490 -11.187 1.00 3.50 N ATOM 0 H ARG A 34 -8.316 -6.963 -6.048 1.00 0.34 H new ATOM 0 HA ARG A 34 -6.489 -4.737 -6.793 1.00 0.37 H new ATOM 0 HB2 ARG A 34 -9.480 -4.952 -7.287 1.00 0.45 H new ATOM 0 HB3 ARG A 34 -8.428 -3.639 -7.777 1.00 0.45 H new ATOM 0 HG2 ARG A 34 -7.210 -5.200 -9.301 1.00 0.60 H new ATOM 0 HG3 ARG A 34 -8.291 -6.494 -8.825 1.00 0.60 H new ATOM 0 HD2 ARG A 34 -9.129 -5.612 -10.901 1.00 1.01 H new ATOM 0 HD3 ARG A 34 -10.237 -5.096 -9.645 1.00 1.01 H new ATOM 0 HE ARG A 34 -8.065 -3.209 -10.343 1.00 1.74 H new ATOM 0 HH11 ARG A 34 -11.469 -4.085 -10.798 1.00 2.74 H new ATOM 0 HH12 ARG A 34 -11.912 -2.469 -11.356 1.00 2.74 H new ATOM 0 HH21 ARG A 34 -8.638 -1.190 -11.099 1.00 3.50 H new ATOM 0 HH22 ARG A 34 -10.316 -0.838 -11.527 1.00 3.50 H new ATOM 506 N PHE A 35 -7.565 -3.182 -5.007 1.00 0.36 N ATOM 507 CA PHE A 35 -7.893 -2.468 -3.756 1.00 0.39 C ATOM 508 C PHE A 35 -9.393 -2.396 -3.464 1.00 0.47 C ATOM 509 O PHE A 35 -9.805 -2.338 -2.303 1.00 0.54 O ATOM 510 CB PHE A 35 -7.269 -1.065 -3.704 1.00 0.41 C ATOM 511 CG PHE A 35 -5.775 -1.070 -3.579 1.00 0.38 C ATOM 512 CD1 PHE A 35 -5.180 -1.282 -2.347 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.965 -0.873 -4.678 1.00 0.42 C ATOM 514 CE1 PHE A 35 -3.809 -1.297 -2.216 1.00 0.47 C ATOM 515 CE2 PHE A 35 -3.593 -0.887 -4.557 1.00 0.47 C ATOM 516 CZ PHE A 35 -3.016 -1.100 -3.325 1.00 0.47 C ATOM 0 H PHE A 35 -7.061 -2.618 -5.692 1.00 0.36 H new ATOM 0 HA PHE A 35 -7.446 -3.073 -2.967 1.00 0.39 H new ATOM 0 HB2 PHE A 35 -7.547 -0.521 -4.607 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.693 -0.520 -2.860 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -5.800 -1.438 -1.476 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -5.413 -0.706 -5.646 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -3.358 -1.462 -1.249 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -2.971 -0.731 -5.426 1.00 0.47 H new ATOM 0 HZ PHE A 35 -1.940 -1.113 -3.228 1.00 0.47 H new ATOM 526 N GLU A 36 -10.200 -2.439 -4.496 1.00 0.57 N ATOM 527 CA GLU A 36 -11.637 -2.357 -4.327 1.00 0.76 C ATOM 528 C GLU A 36 -12.228 -3.662 -3.772 1.00 0.74 C ATOM 529 O GLU A 36 -13.314 -3.658 -3.191 1.00 0.87 O ATOM 530 CB GLU A 36 -12.323 -1.930 -5.613 1.00 0.97 C ATOM 531 CG GLU A 36 -12.069 -2.839 -6.791 1.00 1.31 C ATOM 532 CD GLU A 36 -12.772 -2.354 -8.016 1.00 1.56 C ATOM 533 OE1 GLU A 36 -12.232 -1.498 -8.711 1.00 1.81 O ATOM 534 OE2 GLU A 36 -13.892 -2.810 -8.295 1.00 2.06 O ATOM 0 H GLU A 36 -9.890 -2.530 -5.463 1.00 0.57 H new ATOM 0 HA GLU A 36 -11.829 -1.584 -3.583 1.00 0.76 H new ATOM 0 HB2 GLU A 36 -13.397 -1.877 -5.436 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -11.992 -0.924 -5.869 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -10.998 -2.897 -6.983 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -12.405 -3.848 -6.553 1.00 1.31 H new ATOM 541 N ASP A 37 -11.514 -4.772 -3.941 1.00 0.66 N ATOM 542 CA ASP A 37 -11.989 -6.044 -3.403 1.00 0.73 C ATOM 543 C ASP A 37 -11.735 -6.062 -1.929 1.00 0.73 C ATOM 544 O ASP A 37 -12.574 -6.479 -1.147 1.00 0.89 O ATOM 545 CB ASP A 37 -11.281 -7.237 -4.037 1.00 0.75 C ATOM 546 CG ASP A 37 -11.852 -8.580 -3.577 1.00 1.29 C ATOM 547 OD1 ASP A 37 -11.491 -9.077 -2.489 1.00 2.20 O ATOM 548 OD2 ASP A 37 -12.664 -9.161 -4.324 1.00 1.28 O ATOM 0 H ASP A 37 -10.623 -4.818 -4.435 1.00 0.66 H new ATOM 0 HA ASP A 37 -13.052 -6.129 -3.626 1.00 0.73 H new ATOM 0 HB2 ASP A 37 -11.361 -7.166 -5.122 1.00 0.75 H new ATOM 0 HB3 ASP A 37 -10.220 -7.196 -3.792 1.00 0.75 H new ATOM 553 N ILE A 38 -10.595 -5.516 -1.552 1.00 0.63 N ATOM 554 CA ILE A 38 -10.174 -5.502 -0.168 1.00 0.68 C ATOM 555 C ILE A 38 -10.784 -4.331 0.624 1.00 0.68 C ATOM 556 O ILE A 38 -10.363 -4.036 1.732 1.00 0.73 O ATOM 557 CB ILE A 38 -8.629 -5.553 -0.012 1.00 0.68 C ATOM 558 CG1 ILE A 38 -7.968 -4.383 -0.751 1.00 0.55 C ATOM 559 CG2 ILE A 38 -8.090 -6.880 -0.538 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.456 -4.370 -0.672 1.00 0.64 C ATOM 0 H ILE A 38 -9.939 -5.072 -2.194 1.00 0.63 H new ATOM 0 HA ILE A 38 -10.567 -6.420 0.269 1.00 0.68 H new ATOM 0 HB ILE A 38 -8.389 -5.468 1.048 1.00 0.68 H new ATOM 0 HG12 ILE A 38 -8.265 -4.416 -1.799 1.00 0.55 H new ATOM 0 HG13 ILE A 38 -8.350 -3.448 -0.341 1.00 0.55 H new ATOM 0 HG21 ILE A 38 -7.006 -6.904 -0.423 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -8.533 -7.701 0.025 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -8.346 -6.984 -1.592 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.070 -3.511 -1.221 1.00 0.64 H new ATOM 0 HD12 ILE A 38 -6.147 -4.303 0.371 1.00 0.64 H new ATOM 0 HD13 ILE A 38 -6.061 -5.287 -1.110 1.00 0.64 H new ATOM 572 N GLY A 39 -11.827 -3.738 0.057 1.00 0.69 N ATOM 573 CA GLY A 39 -12.593 -2.686 0.712 1.00 0.77 C ATOM 574 C GLY A 39 -11.882 -1.354 0.834 1.00 0.65 C ATOM 575 O GLY A 39 -12.402 -0.434 1.467 1.00 0.74 O ATOM 0 H GLY A 39 -12.167 -3.975 -0.875 1.00 0.69 H new ATOM 0 HA2 GLY A 39 -13.521 -2.536 0.160 1.00 0.77 H new ATOM 0 HA3 GLY A 39 -12.868 -3.026 1.710 1.00 0.77 H new ATOM 579 N TYR A 40 -10.737 -1.216 0.212 1.00 0.52 N ATOM 580 CA TYR A 40 -9.955 -0.002 0.341 1.00 0.47 C ATOM 581 C TYR A 40 -10.527 1.207 -0.344 1.00 0.49 C ATOM 582 O TYR A 40 -10.826 1.200 -1.545 1.00 0.61 O ATOM 583 CB TYR A 40 -8.479 -0.199 0.032 1.00 0.46 C ATOM 584 CG TYR A 40 -7.724 -0.581 1.259 1.00 0.50 C ATOM 585 CD1 TYR A 40 -7.679 -1.889 1.705 1.00 0.62 C ATOM 586 CD2 TYR A 40 -7.095 0.393 2.007 1.00 0.61 C ATOM 587 CE1 TYR A 40 -7.016 -2.219 2.864 1.00 0.74 C ATOM 588 CE2 TYR A 40 -6.443 0.085 3.168 1.00 0.78 C ATOM 589 CZ TYR A 40 -6.400 -1.213 3.594 1.00 0.81 C ATOM 590 OH TYR A 40 -5.774 -1.498 4.763 1.00 1.02 O ATOM 0 H TYR A 40 -10.322 -1.927 -0.390 1.00 0.52 H new ATOM 0 HA TYR A 40 -10.027 0.229 1.404 1.00 0.47 H new ATOM 0 HB2 TYR A 40 -8.363 -0.973 -0.727 1.00 0.46 H new ATOM 0 HB3 TYR A 40 -8.065 0.720 -0.383 1.00 0.46 H new ATOM 0 HD1 TYR A 40 -8.172 -2.663 1.135 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -7.118 1.418 1.669 1.00 0.61 H new ATOM 0 HE1 TYR A 40 -6.976 -3.245 3.200 1.00 0.74 H new ATOM 0 HE2 TYR A 40 -5.965 0.862 3.745 1.00 0.78 H new ATOM 0 HH TYR A 40 -5.409 -2.407 4.726 1.00 1.02 H new ATOM 600 N ASP A 41 -10.699 2.235 0.460 1.00 0.48 N ATOM 601 CA ASP A 41 -11.199 3.535 0.034 1.00 0.56 C ATOM 602 C ASP A 41 -10.079 4.295 -0.681 1.00 0.45 C ATOM 603 O ASP A 41 -8.929 3.846 -0.734 1.00 0.39 O ATOM 604 CB ASP A 41 -11.654 4.339 1.278 1.00 0.75 C ATOM 605 CG ASP A 41 -12.364 5.654 0.983 1.00 1.11 C ATOM 606 OD1 ASP A 41 -13.564 5.644 0.740 1.00 1.20 O ATOM 607 OD2 ASP A 41 -11.705 6.727 1.027 1.00 2.01 O ATOM 0 H ASP A 41 -10.490 2.193 1.458 1.00 0.48 H new ATOM 0 HA ASP A 41 -12.042 3.402 -0.644 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -12.319 3.712 1.871 1.00 0.75 H new ATOM 0 HB3 ASP A 41 -10.779 4.548 1.894 1.00 0.75 H new ATOM 612 N SER A 42 -10.412 5.436 -1.150 1.00 0.57 N ATOM 613 CA SER A 42 -9.548 6.301 -1.879 1.00 0.62 C ATOM 614 C SER A 42 -8.597 7.012 -0.888 1.00 0.53 C ATOM 615 O SER A 42 -7.368 6.995 -1.059 1.00 0.54 O ATOM 616 CB SER A 42 -10.465 7.261 -2.653 1.00 0.83 C ATOM 617 OG SER A 42 -9.762 8.301 -3.338 1.00 1.24 O ATOM 0 H SER A 42 -11.349 5.820 -1.032 1.00 0.57 H new ATOM 0 HA SER A 42 -8.905 5.780 -2.588 1.00 0.62 H new ATOM 0 HB2 SER A 42 -11.046 6.690 -3.377 1.00 0.83 H new ATOM 0 HB3 SER A 42 -11.174 7.711 -1.958 1.00 0.83 H new ATOM 0 HG SER A 42 -10.403 8.873 -3.810 1.00 1.24 H new ATOM 622 N LEU A 43 -9.167 7.533 0.194 1.00 0.53 N ATOM 623 CA LEU A 43 -8.402 8.207 1.241 1.00 0.54 C ATOM 624 C LEU A 43 -7.620 7.176 2.046 1.00 0.45 C ATOM 625 O LEU A 43 -6.541 7.448 2.561 1.00 0.47 O ATOM 626 CB LEU A 43 -9.330 8.987 2.187 1.00 0.68 C ATOM 627 CG LEU A 43 -10.083 10.182 1.598 1.00 0.83 C ATOM 628 CD1 LEU A 43 -11.043 10.760 2.623 1.00 1.00 C ATOM 629 CD2 LEU A 43 -9.111 11.249 1.140 1.00 0.90 C ATOM 0 H LEU A 43 -10.171 7.501 0.371 1.00 0.53 H new ATOM 0 HA LEU A 43 -7.718 8.910 0.765 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -10.065 8.290 2.590 1.00 0.68 H new ATOM 0 HB3 LEU A 43 -8.734 9.344 3.027 1.00 0.68 H new ATOM 0 HG LEU A 43 -10.654 9.836 0.736 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -11.571 11.609 2.189 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -11.763 9.997 2.918 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -10.485 11.089 3.499 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -9.664 12.091 0.724 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -8.517 11.589 1.989 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -8.451 10.836 0.377 1.00 0.90 H new ATOM 641 N ALA A 44 -8.158 5.974 2.101 1.00 0.44 N ATOM 642 CA ALA A 44 -7.554 4.885 2.842 1.00 0.41 C ATOM 643 C ALA A 44 -6.205 4.493 2.248 1.00 0.35 C ATOM 644 O ALA A 44 -5.313 4.087 2.970 1.00 0.38 O ATOM 645 CB ALA A 44 -8.484 3.688 2.901 1.00 0.43 C ATOM 0 H ALA A 44 -9.029 5.724 1.632 1.00 0.44 H new ATOM 0 HA ALA A 44 -7.382 5.233 3.861 1.00 0.41 H new ATOM 0 HB1 ALA A 44 -8.007 2.884 3.462 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.413 3.973 3.394 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.700 3.345 1.889 1.00 0.43 H new ATOM 651 N LEU A 45 -6.044 4.650 0.940 1.00 0.34 N ATOM 652 CA LEU A 45 -4.783 4.324 0.304 1.00 0.33 C ATOM 653 C LEU A 45 -3.735 5.394 0.634 1.00 0.32 C ATOM 654 O LEU A 45 -2.547 5.092 0.771 1.00 0.36 O ATOM 655 CB LEU A 45 -4.979 4.136 -1.194 1.00 0.48 C ATOM 656 CG LEU A 45 -3.778 3.598 -2.008 1.00 0.50 C ATOM 657 CD1 LEU A 45 -2.836 2.763 -1.157 1.00 0.90 C ATOM 658 CD2 LEU A 45 -4.314 2.683 -3.029 1.00 0.37 C ATOM 0 H LEU A 45 -6.765 4.998 0.308 1.00 0.34 H new ATOM 0 HA LEU A 45 -4.409 3.378 0.695 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -5.817 3.455 -1.341 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -5.270 5.097 -1.619 1.00 0.48 H new ATOM 0 HG LEU A 45 -3.238 4.453 -2.415 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -2.009 2.407 -1.772 1.00 0.90 H new ATOM 0 HD12 LEU A 45 -2.446 3.372 -0.341 1.00 0.90 H new ATOM 0 HD13 LEU A 45 -3.376 1.910 -0.747 1.00 0.90 H new ATOM 0 HD21 LEU A 45 -3.494 2.282 -3.625 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -4.843 1.864 -2.542 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -5.003 3.225 -3.677 1.00 0.37 H new ATOM 670 N MET A 46 -4.186 6.627 0.830 1.00 0.37 N ATOM 671 CA MET A 46 -3.285 7.718 1.252 1.00 0.46 C ATOM 672 C MET A 46 -2.763 7.336 2.605 1.00 0.48 C ATOM 673 O MET A 46 -1.574 7.359 2.881 1.00 0.54 O ATOM 674 CB MET A 46 -4.050 9.021 1.455 1.00 0.59 C ATOM 675 CG MET A 46 -5.002 9.363 0.378 1.00 0.54 C ATOM 676 SD MET A 46 -5.746 10.981 0.636 1.00 0.89 S ATOM 677 CE MET A 46 -4.301 12.039 0.626 1.00 1.84 C ATOM 0 H MET A 46 -5.160 6.905 0.708 1.00 0.37 H new ATOM 0 HA MET A 46 -2.513 7.858 0.495 1.00 0.46 H new ATOM 0 HB2 MET A 46 -4.596 8.961 2.396 1.00 0.59 H new ATOM 0 HB3 MET A 46 -3.331 9.834 1.555 1.00 0.59 H new ATOM 0 HG2 MET A 46 -4.486 9.349 -0.582 1.00 0.54 H new ATOM 0 HG3 MET A 46 -5.785 8.606 0.330 1.00 0.54 H new ATOM 0 HE1 MET A 46 -4.522 12.951 0.072 1.00 1.84 H new ATOM 0 HE2 MET A 46 -4.030 12.294 1.650 1.00 1.84 H new ATOM 0 HE3 MET A 46 -3.471 11.517 0.150 1.00 1.84 H new ATOM 687 N GLU A 47 -3.708 6.960 3.421 1.00 0.49 N ATOM 688 CA GLU A 47 -3.512 6.514 4.760 1.00 0.55 C ATOM 689 C GLU A 47 -2.591 5.264 4.844 1.00 0.54 C ATOM 690 O GLU A 47 -1.792 5.144 5.776 1.00 0.71 O ATOM 691 CB GLU A 47 -4.885 6.271 5.343 1.00 0.58 C ATOM 692 CG GLU A 47 -5.607 7.531 5.787 1.00 0.82 C ATOM 693 CD GLU A 47 -6.855 7.222 6.567 1.00 1.48 C ATOM 694 OE1 GLU A 47 -6.768 6.751 7.724 1.00 1.84 O ATOM 695 OE2 GLU A 47 -7.956 7.453 6.030 1.00 2.31 O ATOM 0 H GLU A 47 -4.690 6.959 3.147 1.00 0.49 H new ATOM 0 HA GLU A 47 -2.985 7.271 5.341 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -5.497 5.758 4.601 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -4.791 5.600 6.197 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -4.938 8.135 6.399 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -5.865 8.128 4.912 1.00 0.82 H new ATOM 702 N THR A 48 -2.718 4.361 3.873 1.00 0.42 N ATOM 703 CA THR A 48 -1.847 3.191 3.744 1.00 0.42 C ATOM 704 C THR A 48 -0.405 3.673 3.474 1.00 0.39 C ATOM 705 O THR A 48 0.532 3.361 4.218 1.00 0.41 O ATOM 706 CB THR A 48 -2.315 2.329 2.536 1.00 0.41 C ATOM 707 OG1 THR A 48 -3.682 1.928 2.703 1.00 0.44 O ATOM 708 CG2 THR A 48 -1.441 1.089 2.354 1.00 0.45 C ATOM 0 H THR A 48 -3.433 4.420 3.148 1.00 0.42 H new ATOM 0 HA THR A 48 -1.888 2.600 4.659 1.00 0.42 H new ATOM 0 HB THR A 48 -2.222 2.948 1.644 1.00 0.41 H new ATOM 0 HG1 THR A 48 -4.247 2.723 2.798 1.00 0.44 H new ATOM 0 HG21 THR A 48 -1.800 0.513 1.501 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.409 1.394 2.178 1.00 0.45 H new ATOM 0 HG23 THR A 48 -1.490 0.474 3.253 1.00 0.45 H new ATOM 716 N ALA A 49 -0.263 4.455 2.407 1.00 0.39 N ATOM 717 CA ALA A 49 1.025 4.973 1.957 1.00 0.40 C ATOM 718 C ALA A 49 1.718 5.763 3.055 1.00 0.42 C ATOM 719 O ALA A 49 2.889 5.541 3.325 1.00 0.41 O ATOM 720 CB ALA A 49 0.848 5.832 0.716 1.00 0.43 C ATOM 0 H ALA A 49 -1.047 4.750 1.825 1.00 0.39 H new ATOM 0 HA ALA A 49 1.658 4.122 1.707 1.00 0.40 H new ATOM 0 HB1 ALA A 49 1.818 6.210 0.394 1.00 0.43 H new ATOM 0 HB2 ALA A 49 0.409 5.233 -0.082 1.00 0.43 H new ATOM 0 HB3 ALA A 49 0.190 6.670 0.944 1.00 0.43 H new ATOM 726 N ALA A 50 0.966 6.638 3.716 1.00 0.46 N ATOM 727 CA ALA A 50 1.481 7.475 4.799 1.00 0.51 C ATOM 728 C ALA A 50 2.063 6.631 5.929 1.00 0.49 C ATOM 729 O ALA A 50 3.104 6.966 6.479 1.00 0.49 O ATOM 730 CB ALA A 50 0.391 8.388 5.332 1.00 0.62 C ATOM 0 H ALA A 50 -0.023 6.788 3.516 1.00 0.46 H new ATOM 0 HA ALA A 50 2.285 8.087 4.389 1.00 0.51 H new ATOM 0 HB1 ALA A 50 0.793 9.003 6.137 1.00 0.62 H new ATOM 0 HB2 ALA A 50 0.030 9.031 4.529 1.00 0.62 H new ATOM 0 HB3 ALA A 50 -0.434 7.786 5.713 1.00 0.62 H new ATOM 736 N ARG A 51 1.405 5.507 6.228 1.00 0.51 N ATOM 737 CA ARG A 51 1.847 4.569 7.272 1.00 0.54 C ATOM 738 C ARG A 51 3.222 3.987 6.900 1.00 0.50 C ATOM 739 O ARG A 51 4.091 3.753 7.761 1.00 0.61 O ATOM 740 CB ARG A 51 0.812 3.423 7.429 1.00 0.62 C ATOM 741 CG ARG A 51 1.159 2.310 8.425 1.00 0.87 C ATOM 742 CD ARG A 51 0.634 2.561 9.843 1.00 1.36 C ATOM 743 NE ARG A 51 -0.834 2.727 9.859 1.00 2.18 N ATOM 744 CZ ARG A 51 -1.676 2.214 10.775 1.00 3.05 C ATOM 745 NH1 ARG A 51 -1.220 1.469 11.790 1.00 3.48 N ATOM 746 NH2 ARG A 51 -2.974 2.441 10.660 1.00 3.91 N ATOM 0 H ARG A 51 0.549 5.219 5.754 1.00 0.51 H new ATOM 0 HA ARG A 51 1.929 5.103 8.219 1.00 0.54 H new ATOM 0 HB2 ARG A 51 -0.139 3.863 7.729 1.00 0.62 H new ATOM 0 HB3 ARG A 51 0.658 2.968 6.451 1.00 0.62 H new ATOM 0 HG2 ARG A 51 0.752 1.368 8.059 1.00 0.87 H new ATOM 0 HG3 ARG A 51 2.242 2.195 8.464 1.00 0.87 H new ATOM 0 HD2 ARG A 51 0.913 1.728 10.488 1.00 1.36 H new ATOM 0 HD3 ARG A 51 1.106 3.454 10.253 1.00 1.36 H new ATOM 0 HE ARG A 51 -1.247 3.280 9.108 1.00 2.18 H new ATOM 0 HH11 ARG A 51 -0.221 1.283 11.877 1.00 3.48 H new ATOM 0 HH12 ARG A 51 -1.872 1.088 12.476 1.00 3.48 H new ATOM 0 HH21 ARG A 51 -3.327 3.000 9.883 1.00 3.91 H new ATOM 0 HH22 ARG A 51 -3.622 2.057 11.348 1.00 3.91 H new ATOM 760 N LEU A 52 3.417 3.776 5.626 1.00 0.41 N ATOM 761 CA LEU A 52 4.654 3.237 5.127 1.00 0.39 C ATOM 762 C LEU A 52 5.718 4.328 5.043 1.00 0.36 C ATOM 763 O LEU A 52 6.896 4.088 5.364 1.00 0.38 O ATOM 764 CB LEU A 52 4.427 2.546 3.789 1.00 0.36 C ATOM 765 CG LEU A 52 3.501 1.322 3.839 1.00 0.39 C ATOM 766 CD1 LEU A 52 3.284 0.751 2.453 1.00 0.41 C ATOM 767 CD2 LEU A 52 4.081 0.262 4.769 1.00 0.48 C ATOM 0 H LEU A 52 2.723 3.973 4.905 1.00 0.41 H new ATOM 0 HA LEU A 52 5.024 2.483 5.822 1.00 0.39 H new ATOM 0 HB2 LEU A 52 4.009 3.270 3.089 1.00 0.36 H new ATOM 0 HB3 LEU A 52 5.392 2.236 3.389 1.00 0.36 H new ATOM 0 HG LEU A 52 2.533 1.639 4.228 1.00 0.39 H new ATOM 0 HD11 LEU A 52 2.625 -0.115 2.515 1.00 0.41 H new ATOM 0 HD12 LEU A 52 2.829 1.508 1.815 1.00 0.41 H new ATOM 0 HD13 LEU A 52 4.242 0.448 2.030 1.00 0.41 H new ATOM 0 HD21 LEU A 52 3.416 -0.601 4.797 1.00 0.48 H new ATOM 0 HD22 LEU A 52 5.061 -0.046 4.403 1.00 0.48 H new ATOM 0 HD23 LEU A 52 4.182 0.675 5.773 1.00 0.48 H new ATOM 779 N GLU A 53 5.300 5.529 4.646 1.00 0.35 N ATOM 780 CA GLU A 53 6.184 6.678 4.600 1.00 0.37 C ATOM 781 C GLU A 53 6.730 6.967 5.984 1.00 0.41 C ATOM 782 O GLU A 53 7.914 7.217 6.130 1.00 0.45 O ATOM 783 CB GLU A 53 5.491 7.944 4.065 1.00 0.40 C ATOM 784 CG GLU A 53 4.990 7.874 2.632 1.00 0.44 C ATOM 785 CD GLU A 53 4.424 9.206 2.189 1.00 0.56 C ATOM 786 OE1 GLU A 53 3.332 9.603 2.667 1.00 0.91 O ATOM 787 OE2 GLU A 53 5.033 9.864 1.320 1.00 0.65 O ATOM 0 H GLU A 53 4.344 5.726 4.350 1.00 0.35 H new ATOM 0 HA GLU A 53 6.990 6.423 3.912 1.00 0.37 H new ATOM 0 HB2 GLU A 53 4.646 8.173 4.714 1.00 0.40 H new ATOM 0 HB3 GLU A 53 6.189 8.777 4.145 1.00 0.40 H new ATOM 0 HG2 GLU A 53 5.807 7.584 1.971 1.00 0.44 H new ATOM 0 HG3 GLU A 53 4.224 7.103 2.548 1.00 0.44 H new ATOM 794 N SER A 54 5.870 6.902 7.001 1.00 0.45 N ATOM 795 CA SER A 54 6.288 7.170 8.356 1.00 0.54 C ATOM 796 C SER A 54 7.299 6.131 8.866 1.00 0.52 C ATOM 797 O SER A 54 8.201 6.460 9.625 1.00 0.62 O ATOM 798 CB SER A 54 5.068 7.295 9.281 1.00 0.69 C ATOM 799 OG SER A 54 4.143 6.229 9.070 1.00 1.38 O ATOM 0 H SER A 54 4.883 6.665 6.901 1.00 0.45 H new ATOM 0 HA SER A 54 6.810 8.127 8.362 1.00 0.54 H new ATOM 0 HB2 SER A 54 5.396 7.294 10.320 1.00 0.69 H new ATOM 0 HB3 SER A 54 4.572 8.249 9.105 1.00 0.69 H new ATOM 0 HG SER A 54 4.586 5.503 8.583 1.00 1.38 H new ATOM 805 N ARG A 55 7.183 4.906 8.388 1.00 0.53 N ATOM 806 CA ARG A 55 8.052 3.837 8.843 1.00 0.62 C ATOM 807 C ARG A 55 9.429 3.900 8.166 1.00 0.57 C ATOM 808 O ARG A 55 10.465 3.758 8.822 1.00 0.68 O ATOM 809 CB ARG A 55 7.395 2.467 8.582 1.00 0.78 C ATOM 810 CG ARG A 55 8.175 1.277 9.143 1.00 0.95 C ATOM 811 CD ARG A 55 7.452 -0.035 8.897 1.00 1.19 C ATOM 812 NE ARG A 55 8.119 -1.168 9.560 1.00 1.42 N ATOM 813 CZ ARG A 55 7.946 -2.460 9.260 1.00 1.79 C ATOM 814 NH1 ARG A 55 7.279 -2.814 8.164 1.00 1.97 N ATOM 815 NH2 ARG A 55 8.489 -3.380 10.036 1.00 2.41 N ATOM 0 H ARG A 55 6.497 4.627 7.686 1.00 0.53 H new ATOM 0 HA ARG A 55 8.201 3.966 9.915 1.00 0.62 H new ATOM 0 HB2 ARG A 55 6.395 2.468 9.016 1.00 0.78 H new ATOM 0 HB3 ARG A 55 7.275 2.334 7.507 1.00 0.78 H new ATOM 0 HG2 ARG A 55 9.163 1.240 8.683 1.00 0.95 H new ATOM 0 HG3 ARG A 55 8.327 1.414 10.214 1.00 0.95 H new ATOM 0 HD2 ARG A 55 6.427 0.043 9.258 1.00 1.19 H new ATOM 0 HD3 ARG A 55 7.399 -0.223 7.825 1.00 1.19 H new ATOM 0 HE ARG A 55 8.770 -0.948 10.314 1.00 1.42 H new ATOM 0 HH11 ARG A 55 6.896 -2.098 7.547 1.00 1.97 H new ATOM 0 HH12 ARG A 55 7.151 -3.801 7.941 1.00 1.97 H new ATOM 0 HH21 ARG A 55 9.033 -3.102 10.853 1.00 2.41 H new ATOM 0 HH22 ARG A 55 8.365 -4.369 9.818 1.00 2.41 H new ATOM 829 N TYR A 56 9.445 4.137 6.869 1.00 0.49 N ATOM 830 CA TYR A 56 10.695 4.061 6.124 1.00 0.54 C ATOM 831 C TYR A 56 11.293 5.400 5.727 1.00 0.53 C ATOM 832 O TYR A 56 12.468 5.468 5.366 1.00 0.71 O ATOM 833 CB TYR A 56 10.538 3.170 4.908 1.00 0.57 C ATOM 834 CG TYR A 56 10.277 1.737 5.266 1.00 0.68 C ATOM 835 CD1 TYR A 56 11.304 0.932 5.730 1.00 0.94 C ATOM 836 CD2 TYR A 56 9.012 1.191 5.150 1.00 0.66 C ATOM 837 CE1 TYR A 56 11.079 -0.377 6.070 1.00 1.09 C ATOM 838 CE2 TYR A 56 8.780 -0.117 5.486 1.00 0.82 C ATOM 839 CZ TYR A 56 9.820 -0.897 5.946 1.00 1.02 C ATOM 840 OH TYR A 56 9.589 -2.197 6.287 1.00 1.20 O ATOM 0 H TYR A 56 8.625 4.380 6.313 1.00 0.49 H new ATOM 0 HA TYR A 56 11.411 3.625 6.821 1.00 0.54 H new ATOM 0 HB2 TYR A 56 9.717 3.542 4.295 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.441 3.229 4.301 1.00 0.57 H new ATOM 0 HD1 TYR A 56 12.299 1.342 5.826 1.00 0.94 H new ATOM 0 HD2 TYR A 56 8.198 1.802 4.790 1.00 0.66 H new ATOM 0 HE1 TYR A 56 11.889 -0.992 6.433 1.00 1.09 H new ATOM 0 HE2 TYR A 56 7.789 -0.535 5.391 1.00 0.82 H new ATOM 0 HH TYR A 56 10.208 -2.464 6.998 1.00 1.20 H new ATOM 850 N GLY A 57 10.522 6.451 5.783 1.00 0.44 N ATOM 851 CA GLY A 57 11.045 7.743 5.397 1.00 0.45 C ATOM 852 C GLY A 57 11.089 7.919 3.891 1.00 0.45 C ATOM 853 O GLY A 57 12.091 8.388 3.330 1.00 0.60 O ATOM 0 H GLY A 57 9.548 6.446 6.085 1.00 0.44 H new ATOM 0 HA2 GLY A 57 10.428 8.528 5.835 1.00 0.45 H new ATOM 0 HA3 GLY A 57 12.049 7.863 5.804 1.00 0.45 H new ATOM 857 N VAL A 58 10.012 7.530 3.230 1.00 0.37 N ATOM 858 CA VAL A 58 9.916 7.655 1.790 1.00 0.39 C ATOM 859 C VAL A 58 8.982 8.797 1.403 1.00 0.40 C ATOM 860 O VAL A 58 8.539 9.554 2.286 1.00 0.42 O ATOM 861 CB VAL A 58 9.498 6.324 1.081 1.00 0.41 C ATOM 862 CG1 VAL A 58 10.508 5.224 1.361 1.00 0.49 C ATOM 863 CG2 VAL A 58 8.107 5.874 1.489 1.00 0.38 C ATOM 0 H VAL A 58 9.188 7.123 3.673 1.00 0.37 H new ATOM 0 HA VAL A 58 10.920 7.887 1.435 1.00 0.39 H new ATOM 0 HB VAL A 58 9.480 6.525 0.010 1.00 0.41 H new ATOM 0 HG11 VAL A 58 10.197 4.308 0.858 1.00 0.49 H new ATOM 0 HG12 VAL A 58 11.488 5.527 0.991 1.00 0.49 H new ATOM 0 HG13 VAL A 58 10.565 5.047 2.435 1.00 0.49 H new ATOM 0 HG21 VAL A 58 7.859 4.947 0.973 1.00 0.38 H new ATOM 0 HG22 VAL A 58 8.079 5.708 2.566 1.00 0.38 H new ATOM 0 HG23 VAL A 58 7.383 6.643 1.222 1.00 0.38 H new ATOM 873 N SER A 59 8.681 8.921 0.127 1.00 0.46 N ATOM 874 CA SER A 59 7.831 9.988 -0.370 1.00 0.56 C ATOM 875 C SER A 59 6.945 9.472 -1.511 1.00 0.54 C ATOM 876 O SER A 59 7.460 9.019 -2.544 1.00 0.61 O ATOM 877 CB SER A 59 8.707 11.118 -0.912 1.00 0.79 C ATOM 878 OG SER A 59 9.705 11.518 0.027 1.00 1.33 O ATOM 0 H SER A 59 9.018 8.286 -0.597 1.00 0.46 H new ATOM 0 HA SER A 59 7.204 10.347 0.446 1.00 0.56 H new ATOM 0 HB2 SER A 59 9.187 10.794 -1.835 1.00 0.79 H new ATOM 0 HB3 SER A 59 8.081 11.974 -1.162 1.00 0.79 H new ATOM 0 HG SER A 59 10.245 12.240 -0.357 1.00 1.33 H new ATOM 884 N ILE A 60 5.646 9.493 -1.309 1.00 0.48 N ATOM 885 CA ILE A 60 4.697 9.144 -2.355 1.00 0.46 C ATOM 886 C ILE A 60 3.642 10.239 -2.485 1.00 0.50 C ATOM 887 O ILE A 60 3.007 10.614 -1.499 1.00 0.58 O ATOM 888 CB ILE A 60 4.001 7.759 -2.115 1.00 0.44 C ATOM 889 CG1 ILE A 60 5.024 6.618 -2.179 1.00 0.47 C ATOM 890 CG2 ILE A 60 2.867 7.516 -3.126 1.00 0.43 C ATOM 891 CD1 ILE A 60 4.413 5.249 -1.991 1.00 1.13 C ATOM 0 H ILE A 60 5.215 9.750 -0.421 1.00 0.48 H new ATOM 0 HA ILE A 60 5.265 9.056 -3.281 1.00 0.46 H new ATOM 0 HB ILE A 60 3.563 7.781 -1.117 1.00 0.44 H new ATOM 0 HG12 ILE A 60 5.533 6.651 -3.142 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.782 6.777 -1.412 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.407 6.547 -2.931 1.00 0.43 H new ATOM 0 HG22 ILE A 60 2.117 8.301 -3.027 1.00 0.43 H new ATOM 0 HG23 ILE A 60 3.273 7.527 -4.138 1.00 0.43 H new ATOM 0 HD11 ILE A 60 5.194 4.491 -2.048 1.00 1.13 H new ATOM 0 HD12 ILE A 60 3.928 5.198 -1.016 1.00 1.13 H new ATOM 0 HD13 ILE A 60 3.675 5.069 -2.773 1.00 1.13 H new ATOM 903 N PRO A 61 3.490 10.827 -3.685 1.00 0.52 N ATOM 904 CA PRO A 61 2.431 11.810 -3.955 1.00 0.58 C ATOM 905 C PRO A 61 1.038 11.155 -3.849 1.00 0.52 C ATOM 906 O PRO A 61 0.857 9.986 -4.230 1.00 0.45 O ATOM 907 CB PRO A 61 2.718 12.263 -5.393 1.00 0.63 C ATOM 908 CG PRO A 61 4.139 11.885 -5.633 1.00 0.65 C ATOM 909 CD PRO A 61 4.349 10.621 -4.861 1.00 0.56 C ATOM 0 HA PRO A 61 2.426 12.637 -3.245 1.00 0.58 H new ATOM 0 HB2 PRO A 61 2.052 11.772 -6.103 1.00 0.63 H new ATOM 0 HB3 PRO A 61 2.569 13.337 -5.507 1.00 0.63 H new ATOM 0 HG2 PRO A 61 4.331 11.733 -6.695 1.00 0.65 H new ATOM 0 HG3 PRO A 61 4.817 12.669 -5.295 1.00 0.65 H new ATOM 0 HD2 PRO A 61 4.053 9.741 -5.432 1.00 0.56 H new ATOM 0 HD3 PRO A 61 5.394 10.483 -4.583 1.00 0.56 H new ATOM 917 N ASP A 62 0.056 11.914 -3.380 1.00 0.64 N ATOM 918 CA ASP A 62 -1.291 11.382 -3.090 1.00 0.72 C ATOM 919 C ASP A 62 -1.977 10.850 -4.341 1.00 0.61 C ATOM 920 O ASP A 62 -2.591 9.782 -4.319 1.00 0.65 O ATOM 921 CB ASP A 62 -2.196 12.441 -2.415 1.00 1.00 C ATOM 922 CG ASP A 62 -2.633 13.559 -3.348 1.00 1.28 C ATOM 923 OD1 ASP A 62 -1.868 14.522 -3.563 1.00 1.40 O ATOM 924 OD2 ASP A 62 -3.757 13.502 -3.861 1.00 1.97 O ATOM 0 H ASP A 62 0.158 12.910 -3.187 1.00 0.64 H new ATOM 0 HA ASP A 62 -1.144 10.554 -2.397 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -3.082 11.947 -2.015 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -1.663 12.874 -1.568 1.00 1.00 H new ATOM 929 N ASP A 63 -1.823 11.549 -5.440 1.00 0.57 N ATOM 930 CA ASP A 63 -2.485 11.169 -6.670 1.00 0.62 C ATOM 931 C ASP A 63 -1.796 9.977 -7.298 1.00 0.52 C ATOM 932 O ASP A 63 -2.370 9.294 -8.131 1.00 0.65 O ATOM 933 CB ASP A 63 -2.546 12.333 -7.660 1.00 0.78 C ATOM 934 CG ASP A 63 -1.207 12.684 -8.235 1.00 1.29 C ATOM 935 OD1 ASP A 63 -0.427 13.384 -7.562 1.00 1.94 O ATOM 936 OD2 ASP A 63 -0.912 12.256 -9.372 1.00 1.87 O ATOM 0 H ASP A 63 -1.244 12.386 -5.510 1.00 0.57 H new ATOM 0 HA ASP A 63 -3.509 10.892 -6.420 1.00 0.62 H new ATOM 0 HB2 ASP A 63 -3.228 12.077 -8.471 1.00 0.78 H new ATOM 0 HB3 ASP A 63 -2.961 13.208 -7.159 1.00 0.78 H new ATOM 941 N VAL A 64 -0.567 9.720 -6.870 1.00 0.42 N ATOM 942 CA VAL A 64 0.190 8.572 -7.342 1.00 0.39 C ATOM 943 C VAL A 64 -0.234 7.329 -6.553 1.00 0.33 C ATOM 944 O VAL A 64 -0.181 6.204 -7.050 1.00 0.37 O ATOM 945 CB VAL A 64 1.736 8.806 -7.269 1.00 0.46 C ATOM 946 CG1 VAL A 64 2.523 7.575 -7.708 1.00 0.55 C ATOM 947 CG2 VAL A 64 2.121 9.989 -8.143 1.00 0.56 C ATOM 0 H VAL A 64 -0.071 10.298 -6.191 1.00 0.42 H new ATOM 0 HA VAL A 64 -0.037 8.420 -8.397 1.00 0.39 H new ATOM 0 HB VAL A 64 1.986 9.010 -6.228 1.00 0.46 H new ATOM 0 HG11 VAL A 64 3.591 7.783 -7.641 1.00 0.55 H new ATOM 0 HG12 VAL A 64 2.276 6.735 -7.059 1.00 0.55 H new ATOM 0 HG13 VAL A 64 2.265 7.327 -8.738 1.00 0.55 H new ATOM 0 HG21 VAL A 64 3.198 10.147 -8.088 1.00 0.56 H new ATOM 0 HG22 VAL A 64 1.836 9.786 -9.175 1.00 0.56 H new ATOM 0 HG23 VAL A 64 1.605 10.883 -7.793 1.00 0.56 H new ATOM 957 N ALA A 65 -0.725 7.546 -5.337 1.00 0.35 N ATOM 958 CA ALA A 65 -1.299 6.469 -4.553 1.00 0.38 C ATOM 959 C ALA A 65 -2.607 6.067 -5.209 1.00 0.43 C ATOM 960 O ALA A 65 -2.978 4.909 -5.239 1.00 0.47 O ATOM 961 CB ALA A 65 -1.538 6.916 -3.126 1.00 0.44 C ATOM 0 H ALA A 65 -0.735 8.457 -4.878 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.614 5.621 -4.520 1.00 0.38 H new ATOM 0 HB1 ALA A 65 -1.969 6.094 -2.555 1.00 0.44 H new ATOM 0 HB2 ALA A 65 -0.592 7.215 -2.675 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -2.226 7.762 -3.120 1.00 0.44 H new ATOM 967 N GLY A 66 -3.263 7.054 -5.802 1.00 0.49 N ATOM 968 CA GLY A 66 -4.491 6.828 -6.525 1.00 0.59 C ATOM 969 C GLY A 66 -4.226 6.450 -7.981 1.00 0.53 C ATOM 970 O GLY A 66 -5.130 6.435 -8.804 1.00 0.69 O ATOM 0 H GLY A 66 -2.955 8.026 -5.792 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -5.058 6.034 -6.040 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -5.106 7.727 -6.488 1.00 0.59 H new ATOM 974 N ARG A 67 -2.971 6.169 -8.293 1.00 0.45 N ATOM 975 CA ARG A 67 -2.572 5.749 -9.623 1.00 0.45 C ATOM 976 C ARG A 67 -2.491 4.254 -9.719 1.00 0.39 C ATOM 977 O ARG A 67 -2.598 3.691 -10.811 1.00 0.51 O ATOM 978 CB ARG A 67 -1.214 6.331 -10.016 1.00 0.56 C ATOM 979 CG ARG A 67 -1.250 7.733 -10.576 1.00 1.08 C ATOM 980 CD ARG A 67 -1.990 7.760 -11.901 1.00 1.48 C ATOM 981 NE ARG A 67 -1.415 6.796 -12.851 1.00 2.15 N ATOM 982 CZ ARG A 67 -1.216 7.007 -14.153 1.00 2.93 C ATOM 983 NH1 ARG A 67 -1.369 8.231 -14.665 1.00 3.24 N ATOM 984 NH2 ARG A 67 -0.810 5.998 -14.919 1.00 3.83 N ATOM 0 H ARG A 67 -2.200 6.226 -7.628 1.00 0.45 H new ATOM 0 HA ARG A 67 -3.336 6.123 -10.305 1.00 0.45 H new ATOM 0 HB2 ARG A 67 -0.567 6.324 -9.139 1.00 0.56 H new ATOM 0 HB3 ARG A 67 -0.756 5.674 -10.755 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -1.738 8.401 -9.867 1.00 1.08 H new ATOM 0 HG3 ARG A 67 -0.234 8.102 -10.713 1.00 1.08 H new ATOM 0 HD2 ARG A 67 -3.043 7.530 -11.737 1.00 1.48 H new ATOM 0 HD3 ARG A 67 -1.945 8.763 -12.325 1.00 1.48 H new ATOM 0 HE ARG A 67 -1.144 5.885 -12.481 1.00 2.15 H new ATOM 0 HH11 ARG A 67 -1.639 9.007 -14.060 1.00 3.24 H new ATOM 0 HH12 ARG A 67 -1.216 8.390 -15.661 1.00 3.24 H new ATOM 0 HH21 ARG A 67 -0.655 5.077 -14.509 1.00 3.83 H new ATOM 0 HH22 ARG A 67 -0.654 6.145 -15.916 1.00 3.83 H new ATOM 998 N VAL A 68 -2.296 3.606 -8.595 1.00 0.35 N ATOM 999 CA VAL A 68 -2.120 2.182 -8.613 1.00 0.34 C ATOM 1000 C VAL A 68 -3.458 1.436 -8.717 1.00 0.39 C ATOM 1001 O VAL A 68 -4.532 2.058 -8.696 1.00 0.62 O ATOM 1002 CB VAL A 68 -1.225 1.659 -7.446 1.00 0.32 C ATOM 1003 CG1 VAL A 68 0.147 2.301 -7.527 1.00 0.33 C ATOM 1004 CG2 VAL A 68 -1.832 1.929 -6.080 1.00 0.36 C ATOM 0 H VAL A 68 -2.256 4.038 -7.672 1.00 0.35 H new ATOM 0 HA VAL A 68 -1.566 1.956 -9.524 1.00 0.34 H new ATOM 0 HB VAL A 68 -1.146 0.578 -7.559 1.00 0.32 H new ATOM 0 HG11 VAL A 68 0.769 1.934 -6.711 1.00 0.33 H new ATOM 0 HG12 VAL A 68 0.612 2.048 -8.480 1.00 0.33 H new ATOM 0 HG13 VAL A 68 0.047 3.384 -7.448 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -1.169 1.545 -5.305 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.963 3.003 -5.946 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.800 1.433 -6.008 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.405 0.133 -8.856 1.00 0.40 N ATOM 1015 CA ASP A 69 -4.622 -0.677 -8.984 1.00 0.49 C ATOM 1016 C ASP A 69 -4.449 -1.913 -8.152 1.00 0.40 C ATOM 1017 O ASP A 69 -5.345 -2.344 -7.400 1.00 0.39 O ATOM 1018 CB ASP A 69 -4.798 -1.113 -10.442 1.00 0.68 C ATOM 1019 CG ASP A 69 -6.186 -1.601 -10.757 1.00 0.85 C ATOM 1020 OD1 ASP A 69 -6.471 -2.801 -10.500 1.00 0.86 O ATOM 1021 OD2 ASP A 69 -7.020 -0.818 -11.242 1.00 1.17 O ATOM 0 H ASP A 69 -2.537 -0.402 -8.885 1.00 0.40 H new ATOM 0 HA ASP A 69 -5.487 -0.097 -8.661 1.00 0.49 H new ATOM 0 HB2 ASP A 69 -4.559 -0.274 -11.096 1.00 0.68 H new ATOM 0 HB3 ASP A 69 -4.083 -1.905 -10.665 1.00 0.68 H new ATOM 1026 N THR A 70 -3.275 -2.461 -8.286 1.00 0.38 N ATOM 1027 CA THR A 70 -2.880 -3.652 -7.624 1.00 0.35 C ATOM 1028 C THR A 70 -1.808 -3.317 -6.558 1.00 0.33 C ATOM 1029 O THR A 70 -0.964 -2.426 -6.771 1.00 0.33 O ATOM 1030 CB THR A 70 -2.343 -4.664 -8.672 1.00 0.42 C ATOM 1031 OG1 THR A 70 -1.263 -4.072 -9.430 1.00 0.48 O ATOM 1032 CG2 THR A 70 -3.455 -5.053 -9.641 1.00 0.47 C ATOM 0 H THR A 70 -2.547 -2.069 -8.883 1.00 0.38 H new ATOM 0 HA THR A 70 -3.731 -4.105 -7.116 1.00 0.35 H new ATOM 0 HB THR A 70 -1.984 -5.546 -8.142 1.00 0.42 H new ATOM 0 HG1 THR A 70 -1.497 -3.151 -9.668 1.00 0.48 H new ATOM 0 HG21 THR A 70 -3.069 -5.763 -10.372 1.00 0.47 H new ATOM 0 HG22 THR A 70 -4.275 -5.511 -9.088 1.00 0.47 H new ATOM 0 HG23 THR A 70 -3.817 -4.163 -10.156 1.00 0.47 H new ATOM 1040 N PRO A 71 -1.837 -4.000 -5.396 1.00 0.34 N ATOM 1041 CA PRO A 71 -0.912 -3.739 -4.260 1.00 0.33 C ATOM 1042 C PRO A 71 0.579 -3.822 -4.625 1.00 0.29 C ATOM 1043 O PRO A 71 1.416 -3.165 -4.001 1.00 0.28 O ATOM 1044 CB PRO A 71 -1.280 -4.831 -3.259 1.00 0.38 C ATOM 1045 CG PRO A 71 -2.696 -5.130 -3.573 1.00 0.42 C ATOM 1046 CD PRO A 71 -2.792 -5.069 -5.064 1.00 0.39 C ATOM 0 HA PRO A 71 -1.027 -2.721 -3.888 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -0.649 -5.712 -3.377 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -1.161 -4.489 -2.231 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -2.982 -6.114 -3.201 1.00 0.42 H new ATOM 0 HG3 PRO A 71 -3.364 -4.406 -3.106 1.00 0.42 H new ATOM 0 HD2 PRO A 71 -2.519 -6.017 -5.528 1.00 0.39 H new ATOM 0 HD3 PRO A 71 -3.802 -4.830 -5.397 1.00 0.39 H new ATOM 1054 N ARG A 72 0.901 -4.589 -5.647 1.00 0.31 N ATOM 1055 CA ARG A 72 2.287 -4.732 -6.090 1.00 0.31 C ATOM 1056 C ARG A 72 2.857 -3.414 -6.613 1.00 0.29 C ATOM 1057 O ARG A 72 4.038 -3.128 -6.448 1.00 0.31 O ATOM 1058 CB ARG A 72 2.432 -5.858 -7.117 1.00 0.36 C ATOM 1059 CG ARG A 72 1.470 -5.790 -8.295 1.00 0.48 C ATOM 1060 CD ARG A 72 1.648 -7.000 -9.177 1.00 0.58 C ATOM 1061 NE ARG A 72 0.627 -7.116 -10.206 1.00 1.01 N ATOM 1062 CZ ARG A 72 -0.017 -8.258 -10.506 1.00 1.40 C ATOM 1063 NH1 ARG A 72 0.275 -9.399 -9.854 1.00 1.35 N ATOM 1064 NH2 ARG A 72 -0.936 -8.265 -11.457 1.00 2.47 N ATOM 0 H ARG A 72 0.226 -5.126 -6.192 1.00 0.31 H new ATOM 0 HA ARG A 72 2.878 -5.008 -5.217 1.00 0.31 H new ATOM 0 HB2 ARG A 72 3.452 -5.849 -7.501 1.00 0.36 H new ATOM 0 HB3 ARG A 72 2.292 -6.812 -6.609 1.00 0.36 H new ATOM 0 HG2 ARG A 72 0.443 -5.741 -7.934 1.00 0.48 H new ATOM 0 HG3 ARG A 72 1.649 -4.881 -8.870 1.00 0.48 H new ATOM 0 HD2 ARG A 72 2.628 -6.955 -9.651 1.00 0.58 H new ATOM 0 HD3 ARG A 72 1.634 -7.897 -8.558 1.00 0.58 H new ATOM 0 HE ARG A 72 0.384 -6.278 -10.734 1.00 1.01 H new ATOM 0 HH11 ARG A 72 0.990 -9.402 -9.126 1.00 1.35 H new ATOM 0 HH12 ARG A 72 -0.218 -10.261 -10.088 1.00 1.35 H new ATOM 0 HH21 ARG A 72 -1.155 -7.406 -11.961 1.00 2.47 H new ATOM 0 HH22 ARG A 72 -1.426 -9.130 -11.686 1.00 2.47 H new ATOM 1078 N GLU A 73 1.992 -2.589 -7.176 1.00 0.28 N ATOM 1079 CA GLU A 73 2.395 -1.302 -7.707 1.00 0.28 C ATOM 1080 C GLU A 73 2.682 -0.334 -6.556 1.00 0.25 C ATOM 1081 O GLU A 73 3.579 0.499 -6.642 1.00 0.25 O ATOM 1082 CB GLU A 73 1.296 -0.762 -8.592 1.00 0.33 C ATOM 1083 CG GLU A 73 0.944 -1.675 -9.742 1.00 0.45 C ATOM 1084 CD GLU A 73 -0.292 -1.221 -10.454 1.00 1.15 C ATOM 1085 OE1 GLU A 73 -1.407 -1.402 -9.932 1.00 2.06 O ATOM 1086 OE2 GLU A 73 -0.163 -0.663 -11.560 1.00 1.24 O ATOM 0 H GLU A 73 0.997 -2.792 -7.277 1.00 0.28 H new ATOM 0 HA GLU A 73 3.304 -1.415 -8.298 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.405 -0.592 -7.988 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.602 0.206 -8.988 1.00 0.33 H new ATOM 0 HG2 GLU A 73 1.776 -1.711 -10.445 1.00 0.45 H new ATOM 0 HG3 GLU A 73 0.797 -2.689 -9.369 1.00 0.45 H new ATOM 1093 N LEU A 74 1.927 -0.497 -5.470 1.00 0.27 N ATOM 1094 CA LEU A 74 2.077 0.314 -4.246 1.00 0.27 C ATOM 1095 C LEU A 74 3.446 -0.012 -3.653 1.00 0.25 C ATOM 1096 O LEU A 74 4.255 0.869 -3.372 1.00 0.25 O ATOM 1097 CB LEU A 74 0.994 -0.129 -3.235 1.00 0.30 C ATOM 1098 CG LEU A 74 0.649 0.793 -2.030 1.00 0.34 C ATOM 1099 CD1 LEU A 74 -0.413 0.140 -1.177 1.00 0.98 C ATOM 1100 CD2 LEU A 74 1.855 1.127 -1.159 1.00 1.00 C ATOM 0 H LEU A 74 1.188 -1.197 -5.407 1.00 0.27 H new ATOM 0 HA LEU A 74 1.981 1.378 -4.462 1.00 0.27 H new ATOM 0 HB2 LEU A 74 0.073 -0.294 -3.794 1.00 0.30 H new ATOM 0 HB3 LEU A 74 1.299 -1.094 -2.831 1.00 0.30 H new ATOM 0 HG LEU A 74 0.288 1.731 -2.451 1.00 0.34 H new ATOM 0 HD11 LEU A 74 -0.652 0.788 -0.334 1.00 0.98 H new ATOM 0 HD12 LEU A 74 -1.310 -0.024 -1.775 1.00 0.98 H new ATOM 0 HD13 LEU A 74 -0.044 -0.816 -0.806 1.00 0.98 H new ATOM 0 HD21 LEU A 74 1.543 1.773 -0.338 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.279 0.207 -0.756 1.00 1.00 H new ATOM 0 HD23 LEU A 74 2.606 1.640 -1.759 1.00 1.00 H new ATOM 1112 N LEU A 75 3.677 -1.306 -3.500 1.00 0.29 N ATOM 1113 CA LEU A 75 4.887 -1.858 -2.940 1.00 0.34 C ATOM 1114 C LEU A 75 6.108 -1.372 -3.715 1.00 0.29 C ATOM 1115 O LEU A 75 7.145 -1.022 -3.137 1.00 0.30 O ATOM 1116 CB LEU A 75 4.775 -3.361 -3.045 1.00 0.49 C ATOM 1117 CG LEU A 75 5.920 -4.160 -2.495 1.00 0.42 C ATOM 1118 CD1 LEU A 75 6.000 -4.028 -0.988 1.00 0.43 C ATOM 1119 CD2 LEU A 75 5.789 -5.598 -2.920 1.00 0.90 C ATOM 0 H LEU A 75 3.001 -2.019 -3.773 1.00 0.29 H new ATOM 0 HA LEU A 75 5.008 -1.543 -1.904 1.00 0.34 H new ATOM 0 HB2 LEU A 75 3.865 -3.672 -2.531 1.00 0.49 H new ATOM 0 HB3 LEU A 75 4.652 -3.621 -4.096 1.00 0.49 H new ATOM 0 HG LEU A 75 6.853 -3.767 -2.900 1.00 0.42 H new ATOM 0 HD11 LEU A 75 6.838 -4.617 -0.615 1.00 0.43 H new ATOM 0 HD12 LEU A 75 6.145 -2.981 -0.722 1.00 0.43 H new ATOM 0 HD13 LEU A 75 5.074 -4.391 -0.541 1.00 0.43 H new ATOM 0 HD21 LEU A 75 6.623 -6.174 -2.518 1.00 0.90 H new ATOM 0 HD22 LEU A 75 4.851 -6.005 -2.542 1.00 0.90 H new ATOM 0 HD23 LEU A 75 5.798 -5.658 -4.008 1.00 0.90 H new ATOM 1131 N ASP A 76 5.946 -1.317 -5.016 1.00 0.29 N ATOM 1132 CA ASP A 76 6.980 -0.893 -5.940 1.00 0.33 C ATOM 1133 C ASP A 76 7.341 0.565 -5.720 1.00 0.29 C ATOM 1134 O ASP A 76 8.514 0.939 -5.776 1.00 0.33 O ATOM 1135 CB ASP A 76 6.508 -1.122 -7.374 1.00 0.40 C ATOM 1136 CG ASP A 76 7.465 -0.593 -8.404 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.454 -1.295 -8.712 1.00 0.70 O ATOM 1138 OD2 ASP A 76 7.263 0.543 -8.907 1.00 0.63 O ATOM 0 H ASP A 76 5.072 -1.571 -5.476 1.00 0.29 H new ATOM 0 HA ASP A 76 7.877 -1.486 -5.760 1.00 0.33 H new ATOM 0 HB2 ASP A 76 6.364 -2.190 -7.536 1.00 0.40 H new ATOM 0 HB3 ASP A 76 5.537 -0.645 -7.511 1.00 0.40 H new ATOM 1143 N LEU A 77 6.329 1.370 -5.427 1.00 0.25 N ATOM 1144 CA LEU A 77 6.508 2.789 -5.163 1.00 0.25 C ATOM 1145 C LEU A 77 7.311 2.999 -3.884 1.00 0.26 C ATOM 1146 O LEU A 77 8.229 3.828 -3.841 1.00 0.32 O ATOM 1147 CB LEU A 77 5.146 3.464 -5.036 1.00 0.26 C ATOM 1148 CG LEU A 77 4.288 3.511 -6.299 1.00 0.31 C ATOM 1149 CD1 LEU A 77 2.915 4.092 -5.989 1.00 0.35 C ATOM 1150 CD2 LEU A 77 4.979 4.337 -7.372 1.00 0.38 C ATOM 0 H LEU A 77 5.360 1.056 -5.366 1.00 0.25 H new ATOM 0 HA LEU A 77 7.057 3.233 -5.994 1.00 0.25 H new ATOM 0 HB2 LEU A 77 4.581 2.949 -4.259 1.00 0.26 H new ATOM 0 HB3 LEU A 77 5.303 4.486 -4.692 1.00 0.26 H new ATOM 0 HG LEU A 77 4.158 2.494 -6.668 1.00 0.31 H new ATOM 0 HD11 LEU A 77 2.317 4.118 -6.900 1.00 0.35 H new ATOM 0 HD12 LEU A 77 2.416 3.470 -5.245 1.00 0.35 H new ATOM 0 HD13 LEU A 77 3.028 5.104 -5.600 1.00 0.35 H new ATOM 0 HD21 LEU A 77 4.358 4.363 -8.267 1.00 0.38 H new ATOM 0 HD22 LEU A 77 5.132 5.353 -7.007 1.00 0.38 H new ATOM 0 HD23 LEU A 77 5.943 3.888 -7.612 1.00 0.38 H new ATOM 1162 N ILE A 78 6.966 2.225 -2.858 1.00 0.25 N ATOM 1163 CA ILE A 78 7.655 2.271 -1.575 1.00 0.29 C ATOM 1164 C ILE A 78 9.101 1.876 -1.761 1.00 0.34 C ATOM 1165 O ILE A 78 10.003 2.690 -1.548 1.00 0.40 O ATOM 1166 CB ILE A 78 7.005 1.306 -0.541 1.00 0.33 C ATOM 1167 CG1 ILE A 78 5.554 1.708 -0.256 1.00 0.36 C ATOM 1168 CG2 ILE A 78 7.822 1.287 0.763 1.00 0.43 C ATOM 1169 CD1 ILE A 78 5.412 3.064 0.410 1.00 0.46 C ATOM 0 H ILE A 78 6.202 1.550 -2.894 1.00 0.25 H new ATOM 0 HA ILE A 78 7.580 3.290 -1.196 1.00 0.29 H new ATOM 0 HB ILE A 78 7.003 0.303 -0.967 1.00 0.33 H new ATOM 0 HG12 ILE A 78 4.998 1.714 -1.194 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.096 0.951 0.381 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.354 0.608 1.476 1.00 0.43 H new ATOM 0 HG22 ILE A 78 8.837 0.949 0.552 1.00 0.43 H new ATOM 0 HG23 ILE A 78 7.855 2.291 1.187 1.00 0.43 H new ATOM 0 HD11 ILE A 78 4.357 3.278 0.579 1.00 0.46 H new ATOM 0 HD12 ILE A 78 5.938 3.057 1.364 1.00 0.46 H new ATOM 0 HD13 ILE A 78 5.839 3.832 -0.235 1.00 0.46 H new ATOM 1181 N ASN A 79 9.312 0.631 -2.188 1.00 0.37 N ATOM 1182 CA ASN A 79 10.653 0.077 -2.350 1.00 0.46 C ATOM 1183 C ASN A 79 11.503 0.887 -3.310 1.00 0.40 C ATOM 1184 O ASN A 79 12.713 0.952 -3.146 1.00 0.45 O ATOM 1185 CB ASN A 79 10.642 -1.407 -2.751 1.00 0.62 C ATOM 1186 CG ASN A 79 10.099 -2.329 -1.662 1.00 0.84 C ATOM 1187 OD1 ASN A 79 10.142 -2.008 -0.470 1.00 1.89 O ATOM 1188 ND2 ASN A 79 9.670 -3.501 -2.044 1.00 0.56 N ATOM 0 H ASN A 79 8.562 -0.017 -2.430 1.00 0.37 H new ATOM 0 HA ASN A 79 11.113 0.142 -1.364 1.00 0.46 H new ATOM 0 HB2 ASN A 79 10.039 -1.527 -3.651 1.00 0.62 H new ATOM 0 HB3 ASN A 79 11.657 -1.714 -3.003 1.00 0.62 H new ATOM 0 HD21 ASN A 79 9.358 -4.181 -1.350 1.00 0.56 H new ATOM 0 HD22 ASN A 79 9.646 -3.737 -3.036 1.00 0.56 H new ATOM 1195 N GLY A 80 10.858 1.533 -4.280 1.00 0.38 N ATOM 1196 CA GLY A 80 11.557 2.387 -5.220 1.00 0.41 C ATOM 1197 C GLY A 80 12.312 3.494 -4.514 1.00 0.45 C ATOM 1198 O GLY A 80 13.531 3.615 -4.663 1.00 0.55 O ATOM 0 H GLY A 80 9.851 1.477 -4.430 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.253 1.789 -5.808 1.00 0.41 H new ATOM 0 HA3 GLY A 80 10.842 2.822 -5.918 1.00 0.41 H new ATOM 1202 N ALA A 81 11.606 4.257 -3.697 1.00 0.44 N ATOM 1203 CA ALA A 81 12.211 5.363 -2.965 1.00 0.51 C ATOM 1204 C ALA A 81 13.053 4.844 -1.801 1.00 0.54 C ATOM 1205 O ALA A 81 14.061 5.435 -1.425 1.00 0.69 O ATOM 1206 CB ALA A 81 11.129 6.318 -2.466 1.00 0.52 C ATOM 0 H ALA A 81 10.609 4.132 -3.522 1.00 0.44 H new ATOM 0 HA ALA A 81 12.870 5.908 -3.641 1.00 0.51 H new ATOM 0 HB1 ALA A 81 11.593 7.140 -1.921 1.00 0.52 H new ATOM 0 HB2 ALA A 81 10.573 6.714 -3.316 1.00 0.52 H new ATOM 0 HB3 ALA A 81 10.448 5.782 -1.805 1.00 0.52 H new ATOM 1212 N LEU A 82 12.648 3.713 -1.268 1.00 0.44 N ATOM 1213 CA LEU A 82 13.285 3.104 -0.138 1.00 0.50 C ATOM 1214 C LEU A 82 14.679 2.570 -0.474 1.00 0.60 C ATOM 1215 O LEU A 82 15.617 2.761 0.294 1.00 0.70 O ATOM 1216 CB LEU A 82 12.376 2.007 0.398 1.00 0.48 C ATOM 1217 CG LEU A 82 12.891 1.189 1.549 1.00 0.58 C ATOM 1218 CD1 LEU A 82 13.287 2.081 2.725 1.00 0.60 C ATOM 1219 CD2 LEU A 82 11.841 0.176 1.960 1.00 0.66 C ATOM 0 H LEU A 82 11.849 3.186 -1.621 1.00 0.44 H new ATOM 0 HA LEU A 82 13.438 3.860 0.632 1.00 0.50 H new ATOM 0 HB2 LEU A 82 11.436 2.467 0.704 1.00 0.48 H new ATOM 0 HB3 LEU A 82 12.146 1.328 -0.423 1.00 0.48 H new ATOM 0 HG LEU A 82 13.788 0.658 1.231 1.00 0.58 H new ATOM 0 HD11 LEU A 82 13.656 1.462 3.543 1.00 0.60 H new ATOM 0 HD12 LEU A 82 14.070 2.771 2.411 1.00 0.60 H new ATOM 0 HD13 LEU A 82 12.418 2.647 3.061 1.00 0.60 H new ATOM 0 HD21 LEU A 82 12.215 -0.417 2.795 1.00 0.66 H new ATOM 0 HD22 LEU A 82 10.932 0.696 2.263 1.00 0.66 H new ATOM 0 HD23 LEU A 82 11.620 -0.481 1.119 1.00 0.66 H new ATOM 1231 N ALA A 83 14.825 1.954 -1.635 1.00 0.64 N ATOM 1232 CA ALA A 83 16.106 1.384 -2.059 1.00 0.79 C ATOM 1233 C ALA A 83 17.139 2.468 -2.383 1.00 0.95 C ATOM 1234 O ALA A 83 18.321 2.175 -2.621 1.00 1.13 O ATOM 1235 CB ALA A 83 15.918 0.455 -3.240 1.00 0.86 C ATOM 0 H ALA A 83 14.070 1.832 -2.310 1.00 0.64 H new ATOM 0 HA ALA A 83 16.494 0.806 -1.220 1.00 0.79 H new ATOM 0 HB1 ALA A 83 16.883 0.044 -3.537 1.00 0.86 H new ATOM 0 HB2 ALA A 83 15.248 -0.358 -2.960 1.00 0.86 H new ATOM 0 HB3 ALA A 83 15.488 1.009 -4.074 1.00 0.86 H new ATOM 1241 N GLU A 84 16.689 3.708 -2.431 1.00 0.95 N ATOM 1242 CA GLU A 84 17.554 4.827 -2.625 1.00 1.17 C ATOM 1243 C GLU A 84 18.200 5.209 -1.303 1.00 1.25 C ATOM 1244 O GLU A 84 19.287 5.778 -1.267 1.00 1.52 O ATOM 1245 CB GLU A 84 16.768 6.001 -3.148 1.00 1.23 C ATOM 1246 CG GLU A 84 16.219 5.841 -4.544 1.00 1.40 C ATOM 1247 CD GLU A 84 15.598 7.118 -5.033 1.00 1.80 C ATOM 1248 OE1 GLU A 84 16.324 8.138 -5.114 1.00 2.17 O ATOM 1249 OE2 GLU A 84 14.395 7.133 -5.387 1.00 2.47 O ATOM 0 H GLU A 84 15.704 3.955 -2.334 1.00 0.95 H new ATOM 0 HA GLU A 84 18.325 4.556 -3.347 1.00 1.17 H new ATOM 0 HB2 GLU A 84 15.937 6.192 -2.469 1.00 1.23 H new ATOM 0 HB3 GLU A 84 17.407 6.884 -3.126 1.00 1.23 H new ATOM 0 HG2 GLU A 84 17.019 5.541 -5.220 1.00 1.40 H new ATOM 0 HG3 GLU A 84 15.476 5.044 -4.556 1.00 1.40 H new