USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 538 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 3:sc= 2.63 USER MOD Set 1.2: A 40 TYR OH : rot -133:sc= 0.796 USER MOD Set 1.3: A 48 THR OG1 : rot -29:sc= 0.944 USER MOD Single : A 6 THR OG1 : rot -76:sc= 1.27 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0314 USER MOD Single : A 42 SER OG : rot 180:sc= -0.202 USER MOD Single : A 46 MET CE :methyl -138:sc= -0.0103 (180deg=-2.18!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 165:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -170:sc= -0.0302 USER MOD Single : A 79 ASN : amide:sc= 0.974 K(o=0.97,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 11.446 7.562 0.083 1.00 0.91 N ATOM 45 CA LEU A 4 10.581 6.688 0.814 1.00 0.65 C ATOM 46 C LEU A 4 9.159 7.114 0.595 1.00 0.63 C ATOM 47 O LEU A 4 8.900 8.194 0.048 1.00 0.84 O ATOM 48 CB LEU A 4 10.911 6.717 2.315 1.00 0.62 C ATOM 49 CG LEU A 4 12.332 6.309 2.716 1.00 0.65 C ATOM 50 CD1 LEU A 4 12.481 6.351 4.216 1.00 0.80 C ATOM 51 CD2 LEU A 4 12.674 4.925 2.200 1.00 0.51 C ATOM 0 HA LEU A 4 10.724 5.668 0.457 1.00 0.65 H new ATOM 0 HB2 LEU A 4 10.730 7.727 2.683 1.00 0.62 H new ATOM 0 HB3 LEU A 4 10.210 6.060 2.830 1.00 0.62 H new ATOM 0 HG LEU A 4 13.025 7.019 2.265 1.00 0.65 H new ATOM 0 HD11 LEU A 4 13.495 6.059 4.489 1.00 0.80 H new ATOM 0 HD12 LEU A 4 12.286 7.362 4.573 1.00 0.80 H new ATOM 0 HD13 LEU A 4 11.770 5.662 4.672 1.00 0.80 H new ATOM 0 HD21 LEU A 4 13.689 4.665 2.501 1.00 0.51 H new ATOM 0 HD22 LEU A 4 11.975 4.199 2.615 1.00 0.51 H new ATOM 0 HD23 LEU A 4 12.605 4.915 1.112 1.00 0.51 H new ATOM 63 N LEU A 5 8.253 6.299 1.008 1.00 0.44 N ATOM 64 CA LEU A 5 6.870 6.597 0.882 1.00 0.40 C ATOM 65 C LEU A 5 6.401 7.311 2.110 1.00 0.35 C ATOM 66 O LEU A 5 6.596 6.821 3.239 1.00 0.41 O ATOM 67 CB LEU A 5 6.053 5.328 0.744 1.00 0.41 C ATOM 68 CG LEU A 5 6.291 4.454 -0.458 1.00 0.59 C ATOM 69 CD1 LEU A 5 5.416 3.234 -0.356 1.00 0.72 C ATOM 70 CD2 LEU A 5 5.970 5.208 -1.719 1.00 0.81 C ATOM 0 H LEU A 5 8.452 5.400 1.446 1.00 0.44 H new ATOM 0 HA LEU A 5 6.739 7.215 -0.006 1.00 0.40 H new ATOM 0 HB2 LEU A 5 6.225 4.723 1.634 1.00 0.41 H new ATOM 0 HB3 LEU A 5 5.000 5.608 0.748 1.00 0.41 H new ATOM 0 HG LEU A 5 7.339 4.156 -0.489 1.00 0.59 H new ATOM 0 HD11 LEU A 5 5.581 2.594 -1.223 1.00 0.72 H new ATOM 0 HD12 LEU A 5 5.662 2.685 0.553 1.00 0.72 H new ATOM 0 HD13 LEU A 5 4.370 3.538 -0.324 1.00 0.72 H new ATOM 0 HD21 LEU A 5 6.146 4.566 -2.582 1.00 0.81 H new ATOM 0 HD22 LEU A 5 4.924 5.516 -1.703 1.00 0.81 H new ATOM 0 HD23 LEU A 5 6.607 6.090 -1.788 1.00 0.81 H new ATOM 82 N THR A 6 5.825 8.451 1.915 1.00 0.37 N ATOM 83 CA THR A 6 5.228 9.155 2.990 1.00 0.42 C ATOM 84 C THR A 6 3.728 8.874 2.985 1.00 0.35 C ATOM 85 O THR A 6 3.258 8.041 2.182 1.00 0.34 O ATOM 86 CB THR A 6 5.489 10.672 2.892 1.00 0.59 C ATOM 87 OG1 THR A 6 5.009 11.168 1.623 1.00 0.65 O ATOM 88 CG2 THR A 6 6.975 10.978 3.029 1.00 0.72 C ATOM 0 H THR A 6 5.757 8.915 1.009 1.00 0.37 H new ATOM 0 HA THR A 6 5.672 8.812 3.925 1.00 0.42 H new ATOM 0 HB THR A 6 4.957 11.165 3.706 1.00 0.59 H new ATOM 0 HG1 THR A 6 5.635 10.912 0.914 1.00 0.65 H new ATOM 0 HG21 THR A 6 7.133 12.054 2.957 1.00 0.72 H new ATOM 0 HG22 THR A 6 7.332 10.623 3.996 1.00 0.72 H new ATOM 0 HG23 THR A 6 7.525 10.476 2.233 1.00 0.72 H new ATOM 96 N THR A 7 2.987 9.545 3.851 1.00 0.40 N ATOM 97 CA THR A 7 1.548 9.439 3.899 1.00 0.43 C ATOM 98 C THR A 7 0.976 9.756 2.504 1.00 0.41 C ATOM 99 O THR A 7 0.214 8.981 1.952 1.00 0.43 O ATOM 100 CB THR A 7 1.010 10.449 4.917 1.00 0.58 C ATOM 101 OG1 THR A 7 1.858 10.425 6.085 1.00 0.69 O ATOM 102 CG2 THR A 7 -0.413 10.087 5.328 1.00 0.66 C ATOM 0 H THR A 7 3.376 10.183 4.545 1.00 0.40 H new ATOM 0 HA THR A 7 1.254 8.432 4.193 1.00 0.43 H new ATOM 0 HB THR A 7 1.004 11.442 4.467 1.00 0.58 H new ATOM 0 HG1 THR A 7 1.525 11.069 6.744 1.00 0.69 H new ATOM 0 HG21 THR A 7 -0.779 10.815 6.052 1.00 0.66 H new ATOM 0 HG22 THR A 7 -1.058 10.093 4.449 1.00 0.66 H new ATOM 0 HG23 THR A 7 -0.420 9.094 5.777 1.00 0.66 H new ATOM 110 N ASP A 8 1.375 10.903 1.960 1.00 0.44 N ATOM 111 CA ASP A 8 0.938 11.361 0.631 1.00 0.51 C ATOM 112 C ASP A 8 1.292 10.355 -0.477 1.00 0.47 C ATOM 113 O ASP A 8 0.449 10.059 -1.332 1.00 0.52 O ATOM 114 CB ASP A 8 1.542 12.730 0.308 1.00 0.63 C ATOM 115 CG ASP A 8 1.137 13.269 -1.049 1.00 1.46 C ATOM 116 OD1 ASP A 8 1.708 12.847 -2.084 1.00 2.38 O ATOM 117 OD2 ASP A 8 0.208 14.079 -1.124 1.00 1.63 O ATOM 0 H ASP A 8 2.013 11.548 2.426 1.00 0.44 H new ATOM 0 HA ASP A 8 -0.148 11.445 0.665 1.00 0.51 H new ATOM 0 HB2 ASP A 8 1.240 13.441 1.077 1.00 0.63 H new ATOM 0 HB3 ASP A 8 2.629 12.657 0.351 1.00 0.63 H new ATOM 122 N ASP A 9 2.516 9.787 -0.426 1.00 0.45 N ATOM 123 CA ASP A 9 2.971 8.829 -1.467 1.00 0.49 C ATOM 124 C ASP A 9 2.118 7.598 -1.418 1.00 0.47 C ATOM 125 O ASP A 9 1.701 7.070 -2.449 1.00 0.56 O ATOM 126 CB ASP A 9 4.435 8.365 -1.283 1.00 0.60 C ATOM 127 CG ASP A 9 5.503 9.416 -1.459 1.00 1.11 C ATOM 128 OD1 ASP A 9 5.875 9.696 -2.616 1.00 1.08 O ATOM 129 OD2 ASP A 9 5.945 10.030 -0.457 1.00 2.00 O ATOM 0 H ASP A 9 3.199 9.968 0.309 1.00 0.45 H new ATOM 0 HA ASP A 9 2.892 9.360 -2.416 1.00 0.49 H new ATOM 0 HB2 ASP A 9 4.535 7.941 -0.284 1.00 0.60 H new ATOM 0 HB3 ASP A 9 4.629 7.560 -1.992 1.00 0.60 H new ATOM 134 N LEU A 10 1.859 7.141 -0.214 1.00 0.42 N ATOM 135 CA LEU A 10 1.041 5.985 -0.006 1.00 0.44 C ATOM 136 C LEU A 10 -0.393 6.284 -0.424 1.00 0.42 C ATOM 137 O LEU A 10 -0.972 5.547 -1.200 1.00 0.50 O ATOM 138 CB LEU A 10 1.082 5.554 1.462 1.00 0.45 C ATOM 139 CG LEU A 10 0.369 4.242 1.795 1.00 0.48 C ATOM 140 CD1 LEU A 10 1.052 3.060 1.119 1.00 0.66 C ATOM 141 CD2 LEU A 10 0.297 4.037 3.291 1.00 0.80 C ATOM 0 H LEU A 10 2.213 7.565 0.643 1.00 0.42 H new ATOM 0 HA LEU A 10 1.429 5.169 -0.616 1.00 0.44 H new ATOM 0 HB2 LEU A 10 2.125 5.465 1.765 1.00 0.45 H new ATOM 0 HB3 LEU A 10 0.641 6.347 2.066 1.00 0.45 H new ATOM 0 HG LEU A 10 -0.649 4.305 1.410 1.00 0.48 H new ATOM 0 HD11 LEU A 10 0.524 2.141 1.373 1.00 0.66 H new ATOM 0 HD12 LEU A 10 1.037 3.200 0.038 1.00 0.66 H new ATOM 0 HD13 LEU A 10 2.085 2.992 1.461 1.00 0.66 H new ATOM 0 HD21 LEU A 10 -0.214 3.098 3.505 1.00 0.80 H new ATOM 0 HD22 LEU A 10 1.306 4.003 3.703 1.00 0.80 H new ATOM 0 HD23 LEU A 10 -0.253 4.861 3.745 1.00 0.80 H new ATOM 153 N ARG A 11 -0.927 7.403 0.065 1.00 0.40 N ATOM 154 CA ARG A 11 -2.315 7.794 -0.170 1.00 0.41 C ATOM 155 C ARG A 11 -2.649 7.792 -1.646 1.00 0.40 C ATOM 156 O ARG A 11 -3.647 7.221 -2.049 1.00 0.42 O ATOM 157 CB ARG A 11 -2.620 9.176 0.390 1.00 0.48 C ATOM 158 CG ARG A 11 -4.114 9.442 0.515 1.00 0.58 C ATOM 159 CD ARG A 11 -4.487 10.839 0.067 1.00 0.72 C ATOM 160 NE ARG A 11 -3.741 11.882 0.761 1.00 1.24 N ATOM 161 CZ ARG A 11 -3.178 12.924 0.151 1.00 1.74 C ATOM 162 NH1 ARG A 11 -3.193 12.997 -1.179 1.00 2.01 N ATOM 163 NH2 ARG A 11 -2.610 13.885 0.867 1.00 2.57 N ATOM 0 H ARG A 11 -0.406 8.066 0.638 1.00 0.40 H new ATOM 0 HA ARG A 11 -2.927 7.055 0.347 1.00 0.41 H new ATOM 0 HB2 ARG A 11 -2.154 9.278 1.370 1.00 0.48 H new ATOM 0 HB3 ARG A 11 -2.173 9.932 -0.256 1.00 0.48 H new ATOM 0 HG2 ARG A 11 -4.662 8.713 -0.082 1.00 0.58 H new ATOM 0 HG3 ARG A 11 -4.421 9.301 1.551 1.00 0.58 H new ATOM 0 HD2 ARG A 11 -4.313 10.929 -1.005 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -5.553 10.994 0.231 1.00 0.72 H new ATOM 0 HE ARG A 11 -3.644 11.810 1.774 1.00 1.24 H new ATOM 0 HH11 ARG A 11 -3.634 12.257 -1.725 1.00 2.01 H new ATOM 0 HH12 ARG A 11 -2.763 13.793 -1.651 1.00 2.01 H new ATOM 0 HH21 ARG A 11 -2.604 13.827 1.885 1.00 2.57 H new ATOM 0 HH22 ARG A 11 -2.179 14.683 0.399 1.00 2.57 H new ATOM 177 N ARG A 12 -1.814 8.450 -2.440 1.00 0.43 N ATOM 178 CA ARG A 12 -2.027 8.519 -3.879 1.00 0.49 C ATOM 179 C ARG A 12 -2.015 7.137 -4.543 1.00 0.49 C ATOM 180 O ARG A 12 -2.721 6.915 -5.522 1.00 0.59 O ATOM 181 CB ARG A 12 -1.060 9.487 -4.558 1.00 0.64 C ATOM 182 CG ARG A 12 0.410 9.149 -4.423 1.00 0.85 C ATOM 183 CD ARG A 12 1.261 10.231 -5.051 1.00 1.00 C ATOM 184 NE ARG A 12 1.053 11.532 -4.404 1.00 1.77 N ATOM 185 CZ ARG A 12 0.542 12.618 -5.000 1.00 2.43 C ATOM 186 NH1 ARG A 12 0.061 12.549 -6.235 1.00 2.51 N ATOM 187 NH2 ARG A 12 0.471 13.742 -4.328 1.00 3.48 N ATOM 0 H ARG A 12 -0.984 8.943 -2.112 1.00 0.43 H new ATOM 0 HA ARG A 12 -3.030 8.921 -4.020 1.00 0.49 H new ATOM 0 HB2 ARG A 12 -1.307 9.534 -5.619 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.224 10.483 -4.148 1.00 0.64 H new ATOM 0 HG2 ARG A 12 0.669 9.039 -3.370 1.00 0.85 H new ATOM 0 HG3 ARG A 12 0.615 8.192 -4.903 1.00 0.85 H new ATOM 0 HD2 ARG A 12 2.313 9.954 -4.980 1.00 1.00 H new ATOM 0 HD3 ARG A 12 1.024 10.310 -6.112 1.00 1.00 H new ATOM 0 HE ARG A 12 1.319 11.616 -3.423 1.00 1.77 H new ATOM 0 HH11 ARG A 12 0.078 11.663 -6.740 1.00 2.51 H new ATOM 0 HH12 ARG A 12 -0.326 13.382 -6.679 1.00 2.51 H new ATOM 0 HH21 ARG A 12 0.802 13.782 -3.364 1.00 3.48 H new ATOM 0 HH22 ARG A 12 0.084 14.576 -4.769 1.00 3.48 H new ATOM 201 N ALA A 13 -1.211 6.221 -4.012 1.00 0.50 N ATOM 202 CA ALA A 13 -1.162 4.853 -4.515 1.00 0.59 C ATOM 203 C ALA A 13 -2.463 4.135 -4.197 1.00 0.55 C ATOM 204 O ALA A 13 -3.018 3.425 -5.043 1.00 0.65 O ATOM 205 CB ALA A 13 0.010 4.109 -3.931 1.00 0.70 C ATOM 0 H ALA A 13 -0.582 6.403 -3.230 1.00 0.50 H new ATOM 0 HA ALA A 13 -1.034 4.886 -5.597 1.00 0.59 H new ATOM 0 HB1 ALA A 13 0.026 3.091 -4.321 1.00 0.70 H new ATOM 0 HB2 ALA A 13 0.935 4.616 -4.204 1.00 0.70 H new ATOM 0 HB3 ALA A 13 -0.082 4.080 -2.845 1.00 0.70 H new ATOM 211 N LEU A 14 -2.955 4.346 -2.982 1.00 0.47 N ATOM 212 CA LEU A 14 -4.232 3.792 -2.555 1.00 0.48 C ATOM 213 C LEU A 14 -5.335 4.385 -3.420 1.00 0.53 C ATOM 214 O LEU A 14 -6.008 3.674 -4.152 1.00 0.70 O ATOM 215 CB LEU A 14 -4.524 4.116 -1.064 1.00 0.48 C ATOM 216 CG LEU A 14 -3.907 3.234 0.059 1.00 0.56 C ATOM 217 CD1 LEU A 14 -4.454 1.836 0.032 1.00 0.52 C ATOM 218 CD2 LEU A 14 -2.411 3.191 0.002 1.00 0.92 C ATOM 0 H LEU A 14 -2.483 4.903 -2.270 1.00 0.47 H new ATOM 0 HA LEU A 14 -4.193 2.708 -2.664 1.00 0.48 H new ATOM 0 HB2 LEU A 14 -4.200 5.141 -0.886 1.00 0.48 H new ATOM 0 HB3 LEU A 14 -5.606 4.096 -0.934 1.00 0.48 H new ATOM 0 HG LEU A 14 -4.194 3.708 0.998 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -3.998 1.252 0.831 1.00 0.52 H new ATOM 0 HD12 LEU A 14 -5.534 1.865 0.174 1.00 0.52 H new ATOM 0 HD13 LEU A 14 -4.227 1.375 -0.929 1.00 0.52 H new ATOM 0 HD21 LEU A 14 -2.034 2.562 0.808 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -2.095 2.780 -0.957 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -2.014 4.200 0.113 1.00 0.92 H new ATOM 230 N VAL A 15 -5.429 5.707 -3.418 1.00 0.49 N ATOM 231 CA VAL A 15 -6.439 6.440 -4.179 1.00 0.60 C ATOM 232 C VAL A 15 -6.371 6.159 -5.716 1.00 0.66 C ATOM 233 O VAL A 15 -7.360 6.317 -6.441 1.00 0.87 O ATOM 234 CB VAL A 15 -6.471 7.972 -3.800 1.00 0.64 C ATOM 235 CG1 VAL A 15 -7.358 8.789 -4.723 1.00 0.88 C ATOM 236 CG2 VAL A 15 -6.989 8.116 -2.385 1.00 0.84 C ATOM 0 H VAL A 15 -4.802 6.309 -2.884 1.00 0.49 H new ATOM 0 HA VAL A 15 -7.410 6.047 -3.877 1.00 0.60 H new ATOM 0 HB VAL A 15 -5.454 8.351 -3.898 1.00 0.64 H new ATOM 0 HG11 VAL A 15 -7.340 9.834 -4.414 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -6.991 8.707 -5.746 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -8.380 8.413 -4.673 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -7.015 9.171 -2.113 1.00 0.84 H new ATOM 0 HG22 VAL A 15 -7.994 7.700 -2.321 1.00 0.84 H new ATOM 0 HG23 VAL A 15 -6.331 7.581 -1.700 1.00 0.84 H new ATOM 246 N GLU A 16 -5.234 5.649 -6.172 1.00 0.64 N ATOM 247 CA GLU A 16 -5.059 5.241 -7.559 1.00 0.77 C ATOM 248 C GLU A 16 -5.873 3.967 -7.799 1.00 0.70 C ATOM 249 O GLU A 16 -6.734 3.910 -8.682 1.00 0.81 O ATOM 250 CB GLU A 16 -3.575 4.965 -7.824 1.00 0.95 C ATOM 251 CG GLU A 16 -3.228 4.642 -9.257 1.00 1.63 C ATOM 252 CD GLU A 16 -3.562 5.768 -10.183 1.00 1.66 C ATOM 253 OE1 GLU A 16 -2.931 6.847 -10.081 1.00 1.92 O ATOM 254 OE2 GLU A 16 -4.427 5.591 -11.059 1.00 2.10 O ATOM 0 H GLU A 16 -4.408 5.507 -5.591 1.00 0.64 H new ATOM 0 HA GLU A 16 -5.400 6.030 -8.230 1.00 0.77 H new ATOM 0 HB2 GLU A 16 -2.999 5.837 -7.515 1.00 0.95 H new ATOM 0 HB3 GLU A 16 -3.258 4.134 -7.194 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -2.164 4.416 -9.330 1.00 1.63 H new ATOM 0 HG3 GLU A 16 -3.766 3.746 -9.567 1.00 1.63 H new ATOM 261 N SER A 17 -5.635 2.975 -6.957 1.00 0.58 N ATOM 262 CA SER A 17 -6.332 1.699 -7.027 1.00 0.61 C ATOM 263 C SER A 17 -7.772 1.822 -6.494 1.00 0.69 C ATOM 264 O SER A 17 -8.602 0.927 -6.665 1.00 0.82 O ATOM 265 CB SER A 17 -5.526 0.662 -6.259 1.00 0.57 C ATOM 266 OG SER A 17 -5.198 1.157 -4.970 1.00 1.00 O ATOM 0 H SER A 17 -4.951 3.031 -6.203 1.00 0.58 H new ATOM 0 HA SER A 17 -6.417 1.381 -8.066 1.00 0.61 H new ATOM 0 HB2 SER A 17 -6.099 -0.261 -6.168 1.00 0.57 H new ATOM 0 HB3 SER A 17 -4.615 0.419 -6.807 1.00 0.57 H new ATOM 0 HG SER A 17 -5.607 2.039 -4.844 1.00 1.00 H new ATOM 400 N ASP A 29 -7.295 9.727 5.436 1.00 0.68 N ATOM 401 CA ASP A 29 -7.630 8.945 6.608 1.00 0.75 C ATOM 402 C ASP A 29 -7.868 7.525 6.197 1.00 0.61 C ATOM 403 O ASP A 29 -8.927 7.185 5.677 1.00 0.71 O ATOM 404 CB ASP A 29 -8.836 9.485 7.372 1.00 1.18 C ATOM 405 CG ASP A 29 -9.176 8.594 8.554 1.00 1.63 C ATOM 406 OD1 ASP A 29 -8.287 8.352 9.412 1.00 2.14 O ATOM 407 OD2 ASP A 29 -10.323 8.080 8.636 1.00 2.17 O ATOM 0 HA ASP A 29 -6.786 9.009 7.294 1.00 0.75 H new ATOM 0 HB2 ASP A 29 -8.626 10.496 7.723 1.00 1.18 H new ATOM 0 HB3 ASP A 29 -9.694 9.551 6.703 1.00 1.18 H new ATOM 412 N PHE A 30 -6.854 6.731 6.345 1.00 0.48 N ATOM 413 CA PHE A 30 -6.903 5.336 5.940 1.00 0.41 C ATOM 414 C PHE A 30 -5.743 4.576 6.594 1.00 0.34 C ATOM 415 O PHE A 30 -5.849 3.404 6.903 1.00 0.34 O ATOM 416 CB PHE A 30 -6.806 5.233 4.378 1.00 0.47 C ATOM 417 CG PHE A 30 -5.433 5.577 3.818 1.00 0.39 C ATOM 418 CD1 PHE A 30 -5.072 6.884 3.616 1.00 0.61 C ATOM 419 CD2 PHE A 30 -4.505 4.589 3.537 1.00 0.44 C ATOM 420 CE1 PHE A 30 -3.823 7.217 3.149 1.00 0.71 C ATOM 421 CE2 PHE A 30 -3.246 4.916 3.074 1.00 0.52 C ATOM 422 CZ PHE A 30 -2.906 6.235 2.881 1.00 0.60 C ATOM 0 H PHE A 30 -5.963 7.019 6.749 1.00 0.48 H new ATOM 0 HA PHE A 30 -7.846 4.895 6.262 1.00 0.41 H new ATOM 0 HB2 PHE A 30 -7.067 4.219 4.074 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -7.545 5.899 3.934 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -5.784 7.668 3.828 1.00 0.61 H new ATOM 0 HD2 PHE A 30 -4.769 3.552 3.681 1.00 0.44 H new ATOM 0 HE1 PHE A 30 -3.564 8.254 2.993 1.00 0.71 H new ATOM 0 HE2 PHE A 30 -2.529 4.137 2.863 1.00 0.52 H new ATOM 0 HZ PHE A 30 -1.922 6.495 2.520 1.00 0.60 H new ATOM 432 N LEU A 31 -4.646 5.308 6.810 1.00 0.36 N ATOM 433 CA LEU A 31 -3.347 4.789 7.238 1.00 0.36 C ATOM 434 C LEU A 31 -3.390 3.849 8.449 1.00 0.35 C ATOM 435 O LEU A 31 -2.657 2.848 8.487 1.00 0.37 O ATOM 436 CB LEU A 31 -2.392 5.960 7.490 1.00 0.44 C ATOM 437 CG LEU A 31 -0.954 5.602 7.880 1.00 0.51 C ATOM 438 CD1 LEU A 31 -0.253 4.892 6.740 1.00 0.52 C ATOM 439 CD2 LEU A 31 -0.186 6.843 8.285 1.00 0.64 C ATOM 0 H LEU A 31 -4.640 6.320 6.686 1.00 0.36 H new ATOM 0 HA LEU A 31 -2.986 4.164 6.421 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -2.358 6.572 6.588 1.00 0.44 H new ATOM 0 HB3 LEU A 31 -2.815 6.580 8.280 1.00 0.44 H new ATOM 0 HG LEU A 31 -0.990 4.927 8.735 1.00 0.51 H new ATOM 0 HD11 LEU A 31 0.767 4.646 7.037 1.00 0.52 H new ATOM 0 HD12 LEU A 31 -0.791 3.976 6.496 1.00 0.52 H new ATOM 0 HD13 LEU A 31 -0.230 5.542 5.866 1.00 0.52 H new ATOM 0 HD21 LEU A 31 0.833 6.568 8.558 1.00 0.64 H new ATOM 0 HD22 LEU A 31 -0.161 7.544 7.451 1.00 0.64 H new ATOM 0 HD23 LEU A 31 -0.676 7.312 9.138 1.00 0.64 H new ATOM 451 N ASP A 32 -4.227 4.145 9.413 1.00 0.38 N ATOM 452 CA ASP A 32 -4.252 3.354 10.644 1.00 0.45 C ATOM 453 C ASP A 32 -5.498 2.508 10.715 1.00 0.41 C ATOM 454 O ASP A 32 -5.751 1.819 11.710 1.00 0.47 O ATOM 455 CB ASP A 32 -4.180 4.258 11.873 1.00 0.64 C ATOM 456 CG ASP A 32 -2.988 5.174 11.875 1.00 1.55 C ATOM 457 OD1 ASP A 32 -1.855 4.710 12.062 1.00 2.06 O ATOM 458 OD2 ASP A 32 -3.173 6.402 11.706 1.00 2.29 O ATOM 0 H ASP A 32 -4.896 4.914 9.382 1.00 0.38 H new ATOM 0 HA ASP A 32 -3.380 2.700 10.632 1.00 0.45 H new ATOM 0 HB2 ASP A 32 -5.089 4.857 11.927 1.00 0.64 H new ATOM 0 HB3 ASP A 32 -4.153 3.638 12.769 1.00 0.64 H new ATOM 463 N LEU A 33 -6.278 2.573 9.680 1.00 0.41 N ATOM 464 CA LEU A 33 -7.522 1.857 9.593 1.00 0.45 C ATOM 465 C LEU A 33 -7.282 0.504 8.914 1.00 0.44 C ATOM 466 O LEU A 33 -6.276 0.322 8.245 1.00 0.56 O ATOM 467 CB LEU A 33 -8.508 2.714 8.790 1.00 0.51 C ATOM 468 CG LEU A 33 -9.953 2.250 8.730 1.00 0.85 C ATOM 469 CD1 LEU A 33 -10.531 2.159 10.126 1.00 1.65 C ATOM 470 CD2 LEU A 33 -10.762 3.215 7.894 1.00 1.61 C ATOM 0 H LEU A 33 -6.068 3.134 8.855 1.00 0.41 H new ATOM 0 HA LEU A 33 -7.936 1.667 10.583 1.00 0.45 H new ATOM 0 HB2 LEU A 33 -8.495 3.721 9.207 1.00 0.51 H new ATOM 0 HB3 LEU A 33 -8.135 2.787 7.768 1.00 0.51 H new ATOM 0 HG LEU A 33 -9.991 1.261 8.273 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -11.567 1.825 10.070 1.00 1.65 H new ATOM 0 HD12 LEU A 33 -9.952 1.447 10.714 1.00 1.65 H new ATOM 0 HD13 LEU A 33 -10.491 3.139 10.601 1.00 1.65 H new ATOM 0 HD21 LEU A 33 -11.798 2.880 7.852 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -10.719 4.208 8.341 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -10.352 3.254 6.885 1.00 1.61 H new ATOM 482 N ARG A 34 -8.174 -0.441 9.102 1.00 0.45 N ATOM 483 CA ARG A 34 -8.067 -1.726 8.421 1.00 0.50 C ATOM 484 C ARG A 34 -8.479 -1.572 6.969 1.00 0.45 C ATOM 485 O ARG A 34 -9.438 -0.850 6.672 1.00 0.54 O ATOM 486 CB ARG A 34 -8.963 -2.780 9.103 1.00 0.71 C ATOM 487 CG ARG A 34 -8.389 -3.358 10.388 1.00 1.08 C ATOM 488 CD ARG A 34 -7.281 -4.349 10.078 1.00 1.18 C ATOM 489 NE ARG A 34 -7.808 -5.600 9.489 1.00 1.90 N ATOM 490 CZ ARG A 34 -7.108 -6.738 9.264 1.00 2.49 C ATOM 491 NH1 ARG A 34 -5.892 -6.894 9.738 1.00 2.61 N ATOM 492 NH2 ARG A 34 -7.675 -7.737 8.633 1.00 3.35 N ATOM 0 H ARG A 34 -8.982 -0.352 9.718 1.00 0.45 H new ATOM 0 HA ARG A 34 -7.031 -2.061 8.475 1.00 0.50 H new ATOM 0 HB2 ARG A 34 -9.931 -2.329 9.323 1.00 0.71 H new ATOM 0 HB3 ARG A 34 -9.143 -3.595 8.401 1.00 0.71 H new ATOM 0 HG2 ARG A 34 -8.001 -2.554 11.014 1.00 1.08 H new ATOM 0 HG3 ARG A 34 -9.178 -3.852 10.956 1.00 1.08 H new ATOM 0 HD2 ARG A 34 -6.570 -3.894 9.388 1.00 1.18 H new ATOM 0 HD3 ARG A 34 -6.735 -4.580 10.992 1.00 1.18 H new ATOM 0 HE ARG A 34 -8.794 -5.606 9.227 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -5.459 -6.151 10.286 1.00 2.61 H new ATOM 0 HH12 ARG A 34 -5.381 -7.758 9.558 1.00 2.61 H new ATOM 0 HH21 ARG A 34 -8.640 -7.656 8.313 1.00 3.35 H new ATOM 0 HH22 ARG A 34 -7.151 -8.595 8.462 1.00 3.35 H new ATOM 506 N PHE A 35 -7.748 -2.235 6.061 1.00 0.40 N ATOM 507 CA PHE A 35 -8.081 -2.254 4.625 1.00 0.40 C ATOM 508 C PHE A 35 -9.524 -2.678 4.436 1.00 0.46 C ATOM 509 O PHE A 35 -10.233 -2.174 3.565 1.00 0.49 O ATOM 510 CB PHE A 35 -7.183 -3.209 3.830 1.00 0.39 C ATOM 511 CG PHE A 35 -5.739 -2.817 3.731 1.00 0.35 C ATOM 512 CD1 PHE A 35 -5.333 -1.838 2.847 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.795 -3.403 4.557 1.00 0.35 C ATOM 514 CE1 PHE A 35 -4.014 -1.454 2.781 1.00 0.49 C ATOM 515 CE2 PHE A 35 -3.472 -3.021 4.500 1.00 0.41 C ATOM 516 CZ PHE A 35 -3.062 -2.142 3.489 1.00 0.48 C ATOM 0 H PHE A 35 -6.913 -2.771 6.297 1.00 0.40 H new ATOM 0 HA PHE A 35 -7.922 -1.243 4.249 1.00 0.40 H new ATOM 0 HB2 PHE A 35 -7.241 -4.197 4.287 1.00 0.39 H new ATOM 0 HB3 PHE A 35 -7.585 -3.300 2.821 1.00 0.39 H new ATOM 0 HD1 PHE A 35 -6.059 -1.368 2.200 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -5.099 -4.169 5.255 1.00 0.35 H new ATOM 0 HE1 PHE A 35 -3.728 -0.610 2.171 1.00 0.49 H new ATOM 0 HE2 PHE A 35 -2.762 -3.394 5.224 1.00 0.41 H new ATOM 0 HZ PHE A 35 -2.013 -2.008 3.271 1.00 0.48 H new ATOM 526 N GLU A 36 -9.946 -3.612 5.269 1.00 0.58 N ATOM 527 CA GLU A 36 -11.311 -4.096 5.281 1.00 0.74 C ATOM 528 C GLU A 36 -12.326 -2.955 5.444 1.00 0.75 C ATOM 529 O GLU A 36 -13.370 -2.961 4.805 1.00 0.84 O ATOM 530 CB GLU A 36 -11.506 -5.124 6.383 1.00 0.92 C ATOM 531 CG GLU A 36 -10.658 -6.364 6.232 1.00 1.14 C ATOM 532 CD GLU A 36 -10.989 -7.395 7.269 1.00 1.56 C ATOM 533 OE1 GLU A 36 -11.994 -8.103 7.124 1.00 1.93 O ATOM 534 OE2 GLU A 36 -10.240 -7.511 8.252 1.00 2.26 O ATOM 0 H GLU A 36 -9.344 -4.058 5.961 1.00 0.58 H new ATOM 0 HA GLU A 36 -11.491 -4.567 4.314 1.00 0.74 H new ATOM 0 HB2 GLU A 36 -11.281 -4.658 7.342 1.00 0.92 H new ATOM 0 HB3 GLU A 36 -12.556 -5.417 6.409 1.00 0.92 H new ATOM 0 HG2 GLU A 36 -10.807 -6.787 5.239 1.00 1.14 H new ATOM 0 HG3 GLU A 36 -9.604 -6.095 6.310 1.00 1.14 H new ATOM 541 N ASP A 37 -11.986 -1.936 6.227 1.00 0.70 N ATOM 542 CA ASP A 37 -12.955 -0.858 6.479 1.00 0.77 C ATOM 543 C ASP A 37 -12.919 0.182 5.359 1.00 0.71 C ATOM 544 O ASP A 37 -13.870 0.930 5.155 1.00 0.80 O ATOM 545 CB ASP A 37 -12.738 -0.193 7.848 1.00 0.85 C ATOM 546 CG ASP A 37 -13.892 0.731 8.243 1.00 1.48 C ATOM 547 OD1 ASP A 37 -14.963 0.247 8.684 1.00 1.64 O ATOM 548 OD2 ASP A 37 -13.742 1.966 8.102 1.00 2.27 O ATOM 0 H ASP A 37 -11.082 -1.828 6.687 1.00 0.70 H new ATOM 0 HA ASP A 37 -13.945 -1.315 6.495 1.00 0.77 H new ATOM 0 HB2 ASP A 37 -12.619 -0.965 8.608 1.00 0.85 H new ATOM 0 HB3 ASP A 37 -11.810 0.379 7.827 1.00 0.85 H new ATOM 553 N ILE A 38 -11.844 0.187 4.583 1.00 0.62 N ATOM 554 CA ILE A 38 -11.745 1.119 3.456 1.00 0.65 C ATOM 555 C ILE A 38 -12.159 0.449 2.151 1.00 0.69 C ATOM 556 O ILE A 38 -11.922 0.979 1.067 1.00 0.75 O ATOM 557 CB ILE A 38 -10.340 1.791 3.288 1.00 0.61 C ATOM 558 CG1 ILE A 38 -9.213 0.742 3.126 1.00 0.53 C ATOM 559 CG2 ILE A 38 -10.051 2.733 4.446 1.00 0.67 C ATOM 560 CD1 ILE A 38 -7.830 1.334 2.906 1.00 0.56 C ATOM 0 H ILE A 38 -11.040 -0.429 4.704 1.00 0.62 H new ATOM 0 HA ILE A 38 -12.439 1.924 3.698 1.00 0.65 H new ATOM 0 HB ILE A 38 -10.365 2.377 2.369 1.00 0.61 H new ATOM 0 HG12 ILE A 38 -9.188 0.113 4.016 1.00 0.53 H new ATOM 0 HG13 ILE A 38 -9.455 0.094 2.284 1.00 0.53 H new ATOM 0 HG21 ILE A 38 -9.070 3.188 4.309 1.00 0.67 H new ATOM 0 HG22 ILE A 38 -10.812 3.513 4.479 1.00 0.67 H new ATOM 0 HG23 ILE A 38 -10.063 2.174 5.382 1.00 0.67 H new ATOM 0 HD11 ILE A 38 -7.102 0.529 2.803 1.00 0.56 H new ATOM 0 HD12 ILE A 38 -7.833 1.939 1.999 1.00 0.56 H new ATOM 0 HD13 ILE A 38 -7.562 1.959 3.758 1.00 0.56 H new ATOM 572 N GLY A 39 -12.843 -0.688 2.282 1.00 0.72 N ATOM 573 CA GLY A 39 -13.350 -1.415 1.128 1.00 0.81 C ATOM 574 C GLY A 39 -12.252 -2.020 0.274 1.00 0.67 C ATOM 575 O GLY A 39 -12.389 -2.126 -0.948 1.00 0.72 O ATOM 0 H GLY A 39 -13.057 -1.123 3.180 1.00 0.72 H new ATOM 0 HA2 GLY A 39 -14.015 -2.208 1.470 1.00 0.81 H new ATOM 0 HA3 GLY A 39 -13.948 -0.740 0.515 1.00 0.81 H new ATOM 579 N TYR A 40 -11.178 -2.432 0.899 1.00 0.57 N ATOM 580 CA TYR A 40 -10.073 -2.997 0.175 1.00 0.54 C ATOM 581 C TYR A 40 -10.102 -4.487 0.100 1.00 0.64 C ATOM 582 O TYR A 40 -9.848 -5.182 1.082 1.00 0.79 O ATOM 583 CB TYR A 40 -8.723 -2.496 0.675 1.00 0.55 C ATOM 584 CG TYR A 40 -8.181 -1.395 -0.161 1.00 0.55 C ATOM 585 CD1 TYR A 40 -8.969 -0.322 -0.546 1.00 0.71 C ATOM 586 CD2 TYR A 40 -6.895 -1.458 -0.618 1.00 0.68 C ATOM 587 CE1 TYR A 40 -8.464 0.657 -1.357 1.00 0.87 C ATOM 588 CE2 TYR A 40 -6.389 -0.495 -1.431 1.00 0.82 C ATOM 589 CZ TYR A 40 -7.170 0.559 -1.798 1.00 0.89 C ATOM 590 OH TYR A 40 -6.661 1.503 -2.617 1.00 1.12 O ATOM 0 H TYR A 40 -11.047 -2.386 1.910 1.00 0.57 H new ATOM 0 HA TYR A 40 -10.200 -2.636 -0.846 1.00 0.54 H new ATOM 0 HB2 TYR A 40 -8.825 -2.150 1.704 1.00 0.55 H new ATOM 0 HB3 TYR A 40 -8.013 -3.323 0.686 1.00 0.55 H new ATOM 0 HD1 TYR A 40 -9.991 -0.258 -0.203 1.00 0.71 H new ATOM 0 HD2 TYR A 40 -6.269 -2.289 -0.327 1.00 0.68 H new ATOM 0 HE1 TYR A 40 -9.078 1.497 -1.646 1.00 0.87 H new ATOM 0 HE2 TYR A 40 -5.371 -0.565 -1.785 1.00 0.82 H new ATOM 0 HH TYR A 40 -6.196 1.072 -3.364 1.00 1.12 H new ATOM 600 N ASP A 41 -10.448 -4.968 -1.068 1.00 0.68 N ATOM 601 CA ASP A 41 -10.382 -6.373 -1.362 1.00 0.90 C ATOM 602 C ASP A 41 -9.008 -6.663 -1.916 1.00 1.04 C ATOM 603 O ASP A 41 -8.173 -5.738 -2.036 1.00 1.93 O ATOM 604 CB ASP A 41 -11.461 -6.812 -2.378 1.00 1.00 C ATOM 605 CG ASP A 41 -12.878 -6.773 -1.838 1.00 1.48 C ATOM 606 OD1 ASP A 41 -13.561 -5.725 -1.968 1.00 2.20 O ATOM 607 OD2 ASP A 41 -13.357 -7.801 -1.310 1.00 2.00 O ATOM 0 H ASP A 41 -10.783 -4.393 -1.841 1.00 0.68 H new ATOM 0 HA ASP A 41 -10.568 -6.934 -0.446 1.00 0.90 H new ATOM 0 HB2 ASP A 41 -11.401 -6.168 -3.255 1.00 1.00 H new ATOM 0 HB3 ASP A 41 -11.239 -7.826 -2.711 1.00 1.00 H new ATOM 612 N SER A 42 -8.778 -7.907 -2.260 1.00 0.72 N ATOM 613 CA SER A 42 -7.520 -8.380 -2.804 1.00 0.68 C ATOM 614 C SER A 42 -7.014 -7.486 -3.965 1.00 0.54 C ATOM 615 O SER A 42 -5.865 -7.023 -3.956 1.00 0.51 O ATOM 616 CB SER A 42 -7.737 -9.801 -3.285 1.00 0.82 C ATOM 617 OG SER A 42 -8.821 -9.795 -4.277 1.00 0.86 O ATOM 0 H SER A 42 -9.479 -8.642 -2.168 1.00 0.72 H new ATOM 0 HA SER A 42 -6.753 -8.341 -2.030 1.00 0.68 H new ATOM 0 HB2 SER A 42 -6.822 -10.196 -3.726 1.00 0.82 H new ATOM 0 HB3 SER A 42 -7.993 -10.450 -2.447 1.00 0.82 H new ATOM 0 HG SER A 42 -8.974 -10.707 -4.600 1.00 0.86 H new ATOM 622 N LEU A 43 -7.898 -7.251 -4.931 1.00 0.52 N ATOM 623 CA LEU A 43 -7.618 -6.454 -6.118 1.00 0.48 C ATOM 624 C LEU A 43 -7.094 -5.070 -5.780 1.00 0.39 C ATOM 625 O LEU A 43 -5.995 -4.713 -6.193 1.00 0.37 O ATOM 626 CB LEU A 43 -8.867 -6.359 -7.014 1.00 0.64 C ATOM 627 CG LEU A 43 -8.824 -5.332 -8.168 1.00 0.83 C ATOM 628 CD1 LEU A 43 -7.647 -5.570 -9.103 1.00 1.64 C ATOM 629 CD2 LEU A 43 -10.131 -5.350 -8.937 1.00 1.57 C ATOM 0 H LEU A 43 -8.849 -7.618 -4.908 1.00 0.52 H new ATOM 0 HA LEU A 43 -6.827 -6.966 -6.666 1.00 0.48 H new ATOM 0 HB2 LEU A 43 -9.052 -7.344 -7.443 1.00 0.64 H new ATOM 0 HB3 LEU A 43 -9.722 -6.122 -6.380 1.00 0.64 H new ATOM 0 HG LEU A 43 -8.686 -4.346 -7.724 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -7.658 -4.825 -9.898 1.00 1.64 H new ATOM 0 HD12 LEU A 43 -6.715 -5.490 -8.543 1.00 1.64 H new ATOM 0 HD13 LEU A 43 -7.724 -6.566 -9.538 1.00 1.64 H new ATOM 0 HD21 LEU A 43 -10.087 -4.622 -9.747 1.00 1.57 H new ATOM 0 HD22 LEU A 43 -10.295 -6.344 -9.352 1.00 1.57 H new ATOM 0 HD23 LEU A 43 -10.952 -5.097 -8.266 1.00 1.57 H new ATOM 641 N ALA A 44 -7.857 -4.317 -5.021 1.00 0.41 N ATOM 642 CA ALA A 44 -7.492 -2.955 -4.694 1.00 0.39 C ATOM 643 C ALA A 44 -6.167 -2.892 -3.962 1.00 0.34 C ATOM 644 O ALA A 44 -5.295 -2.113 -4.334 1.00 0.35 O ATOM 645 CB ALA A 44 -8.586 -2.286 -3.881 1.00 0.49 C ATOM 0 H ALA A 44 -8.740 -4.626 -4.615 1.00 0.41 H new ATOM 0 HA ALA A 44 -7.376 -2.412 -5.632 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -8.291 -1.263 -3.646 1.00 0.49 H new ATOM 0 HB2 ALA A 44 -9.511 -2.274 -4.457 1.00 0.49 H new ATOM 0 HB3 ALA A 44 -8.742 -2.840 -2.955 1.00 0.49 H new ATOM 651 N LEU A 45 -5.994 -3.753 -2.968 1.00 0.37 N ATOM 652 CA LEU A 45 -4.784 -3.735 -2.155 1.00 0.42 C ATOM 653 C LEU A 45 -3.565 -4.086 -3.018 1.00 0.39 C ATOM 654 O LEU A 45 -2.528 -3.402 -2.961 1.00 0.43 O ATOM 655 CB LEU A 45 -4.929 -4.703 -0.946 1.00 0.54 C ATOM 656 CG LEU A 45 -3.984 -4.484 0.272 1.00 0.57 C ATOM 657 CD1 LEU A 45 -4.333 -5.419 1.392 1.00 0.75 C ATOM 658 CD2 LEU A 45 -2.529 -4.676 -0.070 1.00 0.94 C ATOM 0 H LEU A 45 -6.672 -4.469 -2.706 1.00 0.37 H new ATOM 0 HA LEU A 45 -4.634 -2.732 -1.756 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -5.957 -4.642 -0.589 1.00 0.54 H new ATOM 0 HB3 LEU A 45 -4.778 -5.719 -1.310 1.00 0.54 H new ATOM 0 HG LEU A 45 -4.130 -3.448 0.577 1.00 0.57 H new ATOM 0 HD11 LEU A 45 -3.660 -5.248 2.232 1.00 0.75 H new ATOM 0 HD12 LEU A 45 -5.361 -5.240 1.708 1.00 0.75 H new ATOM 0 HD13 LEU A 45 -4.233 -6.449 1.051 1.00 0.75 H new ATOM 0 HD21 LEU A 45 -1.921 -4.510 0.819 1.00 0.94 H new ATOM 0 HD22 LEU A 45 -2.371 -5.692 -0.433 1.00 0.94 H new ATOM 0 HD23 LEU A 45 -2.240 -3.965 -0.845 1.00 0.94 H new ATOM 670 N MET A 46 -3.695 -5.114 -3.839 1.00 0.36 N ATOM 671 CA MET A 46 -2.576 -5.558 -4.655 1.00 0.41 C ATOM 672 C MET A 46 -2.244 -4.513 -5.707 1.00 0.39 C ATOM 673 O MET A 46 -1.084 -4.299 -6.013 1.00 0.49 O ATOM 674 CB MET A 46 -2.845 -6.943 -5.294 1.00 0.43 C ATOM 675 CG MET A 46 -3.778 -6.951 -6.502 1.00 0.34 C ATOM 676 SD MET A 46 -2.919 -6.592 -8.060 1.00 0.73 S ATOM 677 CE MET A 46 -4.260 -6.732 -9.233 1.00 1.38 C ATOM 0 H MET A 46 -4.553 -5.652 -3.958 1.00 0.36 H new ATOM 0 HA MET A 46 -1.709 -5.676 -4.005 1.00 0.41 H new ATOM 0 HB2 MET A 46 -1.890 -7.375 -5.594 1.00 0.43 H new ATOM 0 HB3 MET A 46 -3.265 -7.598 -4.531 1.00 0.43 H new ATOM 0 HG2 MET A 46 -4.261 -7.925 -6.575 1.00 0.34 H new ATOM 0 HG3 MET A 46 -4.567 -6.215 -6.350 1.00 0.34 H new ATOM 0 HE1 MET A 46 -3.914 -7.264 -10.119 1.00 1.38 H new ATOM 0 HE2 MET A 46 -5.085 -7.281 -8.779 1.00 1.38 H new ATOM 0 HE3 MET A 46 -4.600 -5.736 -9.517 1.00 1.38 H new ATOM 687 N GLU A 47 -3.269 -3.824 -6.209 1.00 0.31 N ATOM 688 CA GLU A 47 -3.093 -2.829 -7.239 1.00 0.37 C ATOM 689 C GLU A 47 -2.346 -1.613 -6.664 1.00 0.34 C ATOM 690 O GLU A 47 -1.570 -0.948 -7.372 1.00 0.38 O ATOM 691 CB GLU A 47 -4.453 -2.465 -7.870 1.00 0.44 C ATOM 692 CG GLU A 47 -4.366 -1.541 -9.069 1.00 0.62 C ATOM 693 CD GLU A 47 -5.687 -1.341 -9.771 1.00 0.99 C ATOM 694 OE1 GLU A 47 -6.510 -0.516 -9.317 1.00 1.76 O ATOM 695 OE2 GLU A 47 -5.913 -1.970 -10.819 1.00 1.45 O ATOM 0 H GLU A 47 -4.236 -3.947 -5.908 1.00 0.31 H new ATOM 0 HA GLU A 47 -2.478 -3.229 -8.045 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -4.956 -3.384 -8.172 1.00 0.44 H new ATOM 0 HB3 GLU A 47 -5.077 -1.995 -7.110 1.00 0.44 H new ATOM 0 HG2 GLU A 47 -3.985 -0.572 -8.745 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -3.644 -1.946 -9.778 1.00 0.62 H new ATOM 702 N THR A 48 -2.570 -1.345 -5.382 1.00 0.32 N ATOM 703 CA THR A 48 -1.823 -0.331 -4.657 1.00 0.33 C ATOM 704 C THR A 48 -0.347 -0.747 -4.614 1.00 0.32 C ATOM 705 O THR A 48 0.538 -0.022 -5.108 1.00 0.35 O ATOM 706 CB THR A 48 -2.320 -0.242 -3.196 1.00 0.38 C ATOM 707 OG1 THR A 48 -3.717 0.025 -3.142 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.565 0.832 -2.431 1.00 0.41 C ATOM 0 H THR A 48 -3.273 -1.825 -4.820 1.00 0.32 H new ATOM 0 HA THR A 48 -1.956 0.629 -5.156 1.00 0.33 H new ATOM 0 HB THR A 48 -2.132 -1.209 -2.730 1.00 0.38 H new ATOM 0 HG1 THR A 48 -3.984 0.530 -3.938 1.00 0.49 H new ATOM 0 HG21 THR A 48 -1.933 0.875 -1.406 1.00 0.41 H new ATOM 0 HG22 THR A 48 -0.501 0.595 -2.425 1.00 0.41 H new ATOM 0 HG23 THR A 48 -1.719 1.798 -2.913 1.00 0.41 H new ATOM 716 N ALA A 49 -0.109 -1.933 -4.032 1.00 0.32 N ATOM 717 CA ALA A 49 1.231 -2.468 -3.833 1.00 0.33 C ATOM 718 C ALA A 49 1.994 -2.520 -5.134 1.00 0.30 C ATOM 719 O ALA A 49 3.095 -1.996 -5.217 1.00 0.29 O ATOM 720 CB ALA A 49 1.166 -3.863 -3.225 1.00 0.40 C ATOM 0 H ALA A 49 -0.849 -2.544 -3.688 1.00 0.32 H new ATOM 0 HA ALA A 49 1.754 -1.801 -3.147 1.00 0.33 H new ATOM 0 HB1 ALA A 49 2.177 -4.246 -3.084 1.00 0.40 H new ATOM 0 HB2 ALA A 49 0.658 -3.817 -2.262 1.00 0.40 H new ATOM 0 HB3 ALA A 49 0.617 -4.526 -3.894 1.00 0.40 H new ATOM 726 N ALA A 50 1.363 -3.090 -6.150 1.00 0.31 N ATOM 727 CA ALA A 50 1.955 -3.270 -7.470 1.00 0.35 C ATOM 728 C ALA A 50 2.503 -1.973 -8.039 1.00 0.33 C ATOM 729 O ALA A 50 3.608 -1.948 -8.585 1.00 0.37 O ATOM 730 CB ALA A 50 0.933 -3.856 -8.423 1.00 0.44 C ATOM 0 H ALA A 50 0.410 -3.447 -6.081 1.00 0.31 H new ATOM 0 HA ALA A 50 2.793 -3.958 -7.356 1.00 0.35 H new ATOM 0 HB1 ALA A 50 1.385 -3.987 -9.406 1.00 0.44 H new ATOM 0 HB2 ALA A 50 0.597 -4.822 -8.047 1.00 0.44 H new ATOM 0 HB3 ALA A 50 0.081 -3.181 -8.502 1.00 0.44 H new ATOM 736 N ARG A 51 1.754 -0.893 -7.884 1.00 0.31 N ATOM 737 CA ARG A 51 2.176 0.387 -8.412 1.00 0.36 C ATOM 738 C ARG A 51 3.420 0.884 -7.683 1.00 0.30 C ATOM 739 O ARG A 51 4.374 1.360 -8.298 1.00 0.34 O ATOM 740 CB ARG A 51 1.044 1.409 -8.344 1.00 0.46 C ATOM 741 CG ARG A 51 1.384 2.714 -9.041 1.00 0.91 C ATOM 742 CD ARG A 51 0.141 3.426 -9.523 1.00 1.03 C ATOM 743 NE ARG A 51 -0.594 2.590 -10.484 1.00 1.65 N ATOM 744 CZ ARG A 51 -0.655 2.785 -11.808 1.00 2.23 C ATOM 745 NH1 ARG A 51 -0.039 3.821 -12.370 1.00 2.58 N ATOM 746 NH2 ARG A 51 -1.339 1.935 -12.563 1.00 3.05 N ATOM 0 H ARG A 51 0.857 -0.880 -7.399 1.00 0.31 H new ATOM 0 HA ARG A 51 2.433 0.255 -9.463 1.00 0.36 H new ATOM 0 HB2 ARG A 51 0.149 0.983 -8.798 1.00 0.46 H new ATOM 0 HB3 ARG A 51 0.807 1.612 -7.300 1.00 0.46 H new ATOM 0 HG2 ARG A 51 1.933 3.361 -8.356 1.00 0.91 H new ATOM 0 HG3 ARG A 51 2.042 2.515 -9.887 1.00 0.91 H new ATOM 0 HD2 ARG A 51 -0.501 3.664 -8.675 1.00 1.03 H new ATOM 0 HD3 ARG A 51 0.415 4.372 -9.990 1.00 1.03 H new ATOM 0 HE ARG A 51 -1.103 1.790 -10.109 1.00 1.65 H new ATOM 0 HH11 ARG A 51 0.487 4.477 -11.792 1.00 2.58 H new ATOM 0 HH12 ARG A 51 -0.092 3.960 -13.379 1.00 2.58 H new ATOM 0 HH21 ARG A 51 -1.813 1.140 -12.135 1.00 3.05 H new ATOM 0 HH22 ARG A 51 -1.390 2.076 -13.572 1.00 3.05 H new ATOM 760 N LEU A 52 3.415 0.736 -6.381 1.00 0.25 N ATOM 761 CA LEU A 52 4.537 1.144 -5.562 1.00 0.24 C ATOM 762 C LEU A 52 5.760 0.274 -5.841 1.00 0.22 C ATOM 763 O LEU A 52 6.892 0.779 -5.910 1.00 0.26 O ATOM 764 CB LEU A 52 4.146 1.136 -4.091 1.00 0.28 C ATOM 765 CG LEU A 52 3.045 2.134 -3.723 1.00 0.35 C ATOM 766 CD1 LEU A 52 2.605 1.958 -2.284 1.00 0.43 C ATOM 767 CD2 LEU A 52 3.525 3.560 -3.963 1.00 0.41 C ATOM 0 H LEU A 52 2.638 0.332 -5.858 1.00 0.25 H new ATOM 0 HA LEU A 52 4.812 2.166 -5.822 1.00 0.24 H new ATOM 0 HB2 LEU A 52 3.815 0.133 -3.821 1.00 0.28 H new ATOM 0 HB3 LEU A 52 5.030 1.352 -3.492 1.00 0.28 H new ATOM 0 HG LEU A 52 2.184 1.940 -4.362 1.00 0.35 H new ATOM 0 HD11 LEU A 52 1.822 2.680 -2.052 1.00 0.43 H new ATOM 0 HD12 LEU A 52 2.220 0.948 -2.142 1.00 0.43 H new ATOM 0 HD13 LEU A 52 3.455 2.119 -1.621 1.00 0.43 H new ATOM 0 HD21 LEU A 52 2.733 4.260 -3.697 1.00 0.41 H new ATOM 0 HD22 LEU A 52 4.404 3.756 -3.349 1.00 0.41 H new ATOM 0 HD23 LEU A 52 3.782 3.685 -5.015 1.00 0.41 H new ATOM 779 N GLU A 53 5.526 -1.023 -6.022 1.00 0.20 N ATOM 780 CA GLU A 53 6.573 -1.960 -6.388 1.00 0.25 C ATOM 781 C GLU A 53 7.204 -1.546 -7.684 1.00 0.29 C ATOM 782 O GLU A 53 8.419 -1.389 -7.772 1.00 0.32 O ATOM 783 CB GLU A 53 6.039 -3.361 -6.585 1.00 0.28 C ATOM 784 CG GLU A 53 5.437 -4.015 -5.383 1.00 0.30 C ATOM 785 CD GLU A 53 5.058 -5.423 -5.708 1.00 0.36 C ATOM 786 OE1 GLU A 53 5.950 -6.284 -5.762 1.00 0.50 O ATOM 787 OE2 GLU A 53 3.883 -5.684 -6.004 1.00 0.55 O ATOM 0 H GLU A 53 4.605 -1.449 -5.918 1.00 0.20 H new ATOM 0 HA GLU A 53 7.293 -1.954 -5.570 1.00 0.25 H new ATOM 0 HB2 GLU A 53 5.286 -3.333 -7.372 1.00 0.28 H new ATOM 0 HB3 GLU A 53 6.853 -3.990 -6.945 1.00 0.28 H new ATOM 0 HG2 GLU A 53 6.148 -4.002 -4.557 1.00 0.30 H new ATOM 0 HG3 GLU A 53 4.558 -3.458 -5.057 1.00 0.30 H new ATOM 794 N SER A 54 6.361 -1.344 -8.672 1.00 0.35 N ATOM 795 CA SER A 54 6.783 -1.015 -10.019 1.00 0.46 C ATOM 796 C SER A 54 7.527 0.335 -10.050 1.00 0.42 C ATOM 797 O SER A 54 8.502 0.498 -10.795 1.00 0.46 O ATOM 798 CB SER A 54 5.551 -0.994 -10.946 1.00 0.61 C ATOM 799 OG SER A 54 5.905 -0.964 -12.320 1.00 1.51 O ATOM 0 H SER A 54 5.349 -1.404 -8.563 1.00 0.35 H new ATOM 0 HA SER A 54 7.480 -1.775 -10.372 1.00 0.46 H new ATOM 0 HB2 SER A 54 4.939 -1.874 -10.751 1.00 0.61 H new ATOM 0 HB3 SER A 54 4.940 -0.122 -10.713 1.00 0.61 H new ATOM 0 HG SER A 54 5.092 -0.953 -12.867 1.00 1.51 H new ATOM 805 N ARG A 55 7.094 1.275 -9.215 1.00 0.40 N ATOM 806 CA ARG A 55 7.703 2.600 -9.153 1.00 0.45 C ATOM 807 C ARG A 55 9.157 2.541 -8.668 1.00 0.43 C ATOM 808 O ARG A 55 10.042 3.134 -9.272 1.00 0.49 O ATOM 809 CB ARG A 55 6.876 3.548 -8.256 1.00 0.54 C ATOM 810 CG ARG A 55 7.484 4.943 -8.094 1.00 0.70 C ATOM 811 CD ARG A 55 6.590 5.881 -7.292 1.00 1.09 C ATOM 812 NE ARG A 55 5.295 6.091 -7.950 1.00 1.64 N ATOM 813 CZ ARG A 55 4.503 7.161 -7.810 1.00 2.34 C ATOM 814 NH1 ARG A 55 4.819 8.152 -6.969 1.00 2.65 N ATOM 815 NH2 ARG A 55 3.391 7.225 -8.519 1.00 3.15 N ATOM 0 H ARG A 55 6.317 1.142 -8.567 1.00 0.40 H new ATOM 0 HA ARG A 55 7.708 2.996 -10.169 1.00 0.45 H new ATOM 0 HB2 ARG A 55 5.875 3.646 -8.675 1.00 0.54 H new ATOM 0 HB3 ARG A 55 6.766 3.095 -7.271 1.00 0.54 H new ATOM 0 HG2 ARG A 55 8.452 4.859 -7.600 1.00 0.70 H new ATOM 0 HG3 ARG A 55 7.665 5.373 -9.079 1.00 0.70 H new ATOM 0 HD2 ARG A 55 6.429 5.468 -6.296 1.00 1.09 H new ATOM 0 HD3 ARG A 55 7.092 6.840 -7.162 1.00 1.09 H new ATOM 0 HE ARG A 55 4.968 5.352 -8.572 1.00 1.64 H new ATOM 0 HH11 ARG A 55 5.677 8.101 -6.420 1.00 2.65 H new ATOM 0 HH12 ARG A 55 4.202 8.959 -6.877 1.00 2.65 H new ATOM 0 HH21 ARG A 55 3.150 6.468 -9.158 1.00 3.15 H new ATOM 0 HH22 ARG A 55 2.773 8.032 -8.427 1.00 3.15 H new ATOM 829 N TYR A 56 9.408 1.807 -7.614 1.00 0.40 N ATOM 830 CA TYR A 56 10.744 1.805 -7.029 1.00 0.48 C ATOM 831 C TYR A 56 11.580 0.611 -7.436 1.00 0.49 C ATOM 832 O TYR A 56 12.793 0.594 -7.196 1.00 0.63 O ATOM 833 CB TYR A 56 10.664 1.909 -5.524 1.00 0.57 C ATOM 834 CG TYR A 56 10.025 3.179 -5.053 1.00 0.62 C ATOM 835 CD1 TYR A 56 10.749 4.345 -4.985 1.00 0.83 C ATOM 836 CD2 TYR A 56 8.689 3.210 -4.685 1.00 0.58 C ATOM 837 CE1 TYR A 56 10.173 5.506 -4.559 1.00 0.94 C ATOM 838 CE2 TYR A 56 8.102 4.377 -4.260 1.00 0.69 C ATOM 839 CZ TYR A 56 8.848 5.516 -4.177 1.00 0.87 C ATOM 840 OH TYR A 56 8.264 6.697 -3.785 1.00 1.01 O ATOM 0 H TYR A 56 8.727 1.211 -7.144 1.00 0.40 H new ATOM 0 HA TYR A 56 11.253 2.683 -7.427 1.00 0.48 H new ATOM 0 HB2 TYR A 56 10.099 1.061 -5.137 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.669 1.839 -5.108 1.00 0.57 H new ATOM 0 HD1 TYR A 56 11.790 4.342 -5.273 1.00 0.83 H new ATOM 0 HD2 TYR A 56 8.102 2.305 -4.733 1.00 0.58 H new ATOM 0 HE1 TYR A 56 10.754 6.416 -4.521 1.00 0.94 H new ATOM 0 HE2 TYR A 56 7.056 4.393 -3.993 1.00 0.69 H new ATOM 0 HH TYR A 56 7.289 6.594 -3.779 1.00 1.01 H new ATOM 850 N GLY A 57 10.948 -0.369 -8.034 1.00 0.42 N ATOM 851 CA GLY A 57 11.656 -1.550 -8.466 1.00 0.47 C ATOM 852 C GLY A 57 11.822 -2.555 -7.348 1.00 0.48 C ATOM 853 O GLY A 57 12.901 -3.115 -7.163 1.00 0.64 O ATOM 0 H GLY A 57 9.948 -0.373 -8.232 1.00 0.42 H new ATOM 0 HA2 GLY A 57 11.117 -2.013 -9.292 1.00 0.47 H new ATOM 0 HA3 GLY A 57 12.637 -1.265 -8.846 1.00 0.47 H new ATOM 857 N VAL A 58 10.766 -2.773 -6.587 1.00 0.37 N ATOM 858 CA VAL A 58 10.806 -3.732 -5.494 1.00 0.39 C ATOM 859 C VAL A 58 9.980 -4.971 -5.835 1.00 0.37 C ATOM 860 O VAL A 58 9.368 -5.039 -6.924 1.00 0.39 O ATOM 861 CB VAL A 58 10.378 -3.145 -4.100 1.00 0.47 C ATOM 862 CG1 VAL A 58 11.241 -1.965 -3.708 1.00 0.61 C ATOM 863 CG2 VAL A 58 8.910 -2.757 -4.064 1.00 0.50 C ATOM 0 H VAL A 58 9.870 -2.300 -6.704 1.00 0.37 H new ATOM 0 HA VAL A 58 11.855 -4.009 -5.384 1.00 0.39 H new ATOM 0 HB VAL A 58 10.528 -3.942 -3.372 1.00 0.47 H new ATOM 0 HG11 VAL A 58 10.918 -1.584 -2.739 1.00 0.61 H new ATOM 0 HG12 VAL A 58 12.282 -2.281 -3.645 1.00 0.61 H new ATOM 0 HG13 VAL A 58 11.145 -1.179 -4.457 1.00 0.61 H new ATOM 0 HG21 VAL A 58 8.663 -2.357 -3.080 1.00 0.50 H new ATOM 0 HG22 VAL A 58 8.715 -1.999 -4.823 1.00 0.50 H new ATOM 0 HG23 VAL A 58 8.296 -3.636 -4.263 1.00 0.50 H new ATOM 873 N SER A 59 9.965 -5.933 -4.944 1.00 0.42 N ATOM 874 CA SER A 59 9.209 -7.141 -5.130 1.00 0.50 C ATOM 875 C SER A 59 8.545 -7.531 -3.803 1.00 0.48 C ATOM 876 O SER A 59 9.217 -7.961 -2.865 1.00 0.61 O ATOM 877 CB SER A 59 10.147 -8.268 -5.607 1.00 0.68 C ATOM 878 OG SER A 59 10.871 -7.885 -6.785 1.00 1.55 O ATOM 0 H SER A 59 10.481 -5.896 -4.065 1.00 0.42 H new ATOM 0 HA SER A 59 8.437 -6.982 -5.883 1.00 0.50 H new ATOM 0 HB2 SER A 59 10.849 -8.519 -4.812 1.00 0.68 H new ATOM 0 HB3 SER A 59 9.564 -9.166 -5.813 1.00 0.68 H new ATOM 0 HG SER A 59 11.458 -8.620 -7.062 1.00 1.55 H new ATOM 884 N ILE A 60 7.259 -7.335 -3.711 1.00 0.42 N ATOM 885 CA ILE A 60 6.515 -7.676 -2.517 1.00 0.43 C ATOM 886 C ILE A 60 5.888 -9.043 -2.706 1.00 0.48 C ATOM 887 O ILE A 60 5.135 -9.254 -3.665 1.00 0.51 O ATOM 888 CB ILE A 60 5.385 -6.648 -2.211 1.00 0.39 C ATOM 889 CG1 ILE A 60 5.963 -5.252 -1.987 1.00 0.42 C ATOM 890 CG2 ILE A 60 4.558 -7.084 -0.992 1.00 0.44 C ATOM 891 CD1 ILE A 60 4.907 -4.191 -1.806 1.00 0.50 C ATOM 0 H ILE A 60 6.692 -6.935 -4.458 1.00 0.42 H new ATOM 0 HA ILE A 60 7.211 -7.669 -1.678 1.00 0.43 H new ATOM 0 HB ILE A 60 4.726 -6.613 -3.078 1.00 0.39 H new ATOM 0 HG12 ILE A 60 6.605 -5.269 -1.107 1.00 0.42 H new ATOM 0 HG13 ILE A 60 6.593 -4.987 -2.836 1.00 0.42 H new ATOM 0 HG21 ILE A 60 3.776 -6.349 -0.801 1.00 0.44 H new ATOM 0 HG22 ILE A 60 4.103 -8.054 -1.189 1.00 0.44 H new ATOM 0 HG23 ILE A 60 5.207 -7.159 -0.120 1.00 0.44 H new ATOM 0 HD11 ILE A 60 5.386 -3.224 -1.651 1.00 0.50 H new ATOM 0 HD12 ILE A 60 4.279 -4.147 -2.696 1.00 0.50 H new ATOM 0 HD13 ILE A 60 4.292 -4.434 -0.940 1.00 0.50 H new ATOM 903 N PRO A 61 6.239 -10.007 -1.848 1.00 0.55 N ATOM 904 CA PRO A 61 5.646 -11.343 -1.871 1.00 0.61 C ATOM 905 C PRO A 61 4.133 -11.286 -1.698 1.00 0.52 C ATOM 906 O PRO A 61 3.616 -10.482 -0.897 1.00 0.43 O ATOM 907 CB PRO A 61 6.268 -12.025 -0.645 1.00 0.69 C ATOM 908 CG PRO A 61 7.560 -11.320 -0.459 1.00 0.75 C ATOM 909 CD PRO A 61 7.279 -9.891 -0.806 1.00 0.63 C ATOM 0 HA PRO A 61 5.831 -11.858 -2.814 1.00 0.61 H new ATOM 0 HB2 PRO A 61 5.630 -11.927 0.233 1.00 0.69 H new ATOM 0 HB3 PRO A 61 6.416 -13.092 -0.814 1.00 0.69 H new ATOM 0 HG2 PRO A 61 7.916 -11.414 0.567 1.00 0.75 H new ATOM 0 HG3 PRO A 61 8.333 -11.737 -1.104 1.00 0.75 H new ATOM 0 HD2 PRO A 61 6.926 -9.327 0.057 1.00 0.63 H new ATOM 0 HD3 PRO A 61 8.169 -9.382 -1.177 1.00 0.63 H new ATOM 917 N ASP A 62 3.439 -12.141 -2.422 1.00 0.58 N ATOM 918 CA ASP A 62 1.969 -12.270 -2.347 1.00 0.57 C ATOM 919 C ASP A 62 1.555 -12.577 -0.922 1.00 0.48 C ATOM 920 O ASP A 62 0.522 -12.109 -0.435 1.00 0.49 O ATOM 921 CB ASP A 62 1.464 -13.389 -3.271 1.00 0.74 C ATOM 922 CG ASP A 62 1.577 -13.090 -4.755 1.00 1.16 C ATOM 923 OD1 ASP A 62 2.678 -12.715 -5.212 1.00 1.38 O ATOM 924 OD2 ASP A 62 0.557 -13.142 -5.482 1.00 1.91 O ATOM 0 H ASP A 62 3.870 -12.780 -3.091 1.00 0.58 H new ATOM 0 HA ASP A 62 1.529 -11.326 -2.670 1.00 0.57 H new ATOM 0 HB2 ASP A 62 2.023 -14.299 -3.055 1.00 0.74 H new ATOM 0 HB3 ASP A 62 0.420 -13.593 -3.034 1.00 0.74 H new ATOM 929 N ASP A 63 2.436 -13.289 -0.228 1.00 0.51 N ATOM 930 CA ASP A 63 2.223 -13.679 1.157 1.00 0.55 C ATOM 931 C ASP A 63 2.273 -12.495 2.077 1.00 0.45 C ATOM 932 O ASP A 63 1.655 -12.508 3.109 1.00 0.48 O ATOM 933 CB ASP A 63 3.275 -14.689 1.628 1.00 0.80 C ATOM 934 CG ASP A 63 3.004 -16.107 1.211 1.00 1.25 C ATOM 935 OD1 ASP A 63 3.330 -16.492 0.067 1.00 1.94 O ATOM 936 OD2 ASP A 63 2.507 -16.880 2.035 1.00 1.88 O ATOM 0 H ASP A 63 3.323 -13.613 -0.615 1.00 0.51 H new ATOM 0 HA ASP A 63 1.233 -14.134 1.193 1.00 0.55 H new ATOM 0 HB2 ASP A 63 4.249 -14.389 1.240 1.00 0.80 H new ATOM 0 HB3 ASP A 63 3.339 -14.649 2.715 1.00 0.80 H new ATOM 941 N VAL A 64 2.975 -11.449 1.682 1.00 0.43 N ATOM 942 CA VAL A 64 3.111 -10.276 2.524 1.00 0.43 C ATOM 943 C VAL A 64 1.860 -9.414 2.431 1.00 0.34 C ATOM 944 O VAL A 64 1.372 -8.914 3.438 1.00 0.37 O ATOM 945 CB VAL A 64 4.388 -9.450 2.193 1.00 0.57 C ATOM 946 CG1 VAL A 64 4.432 -8.162 3.004 1.00 0.66 C ATOM 947 CG2 VAL A 64 5.626 -10.275 2.495 1.00 0.70 C ATOM 0 H VAL A 64 3.458 -11.388 0.786 1.00 0.43 H new ATOM 0 HA VAL A 64 3.225 -10.623 3.551 1.00 0.43 H new ATOM 0 HB VAL A 64 4.361 -9.194 1.134 1.00 0.57 H new ATOM 0 HG11 VAL A 64 5.334 -7.605 2.753 1.00 0.66 H new ATOM 0 HG12 VAL A 64 3.556 -7.557 2.773 1.00 0.66 H new ATOM 0 HG13 VAL A 64 4.438 -8.402 4.067 1.00 0.66 H new ATOM 0 HG21 VAL A 64 6.517 -9.692 2.262 1.00 0.70 H new ATOM 0 HG22 VAL A 64 5.635 -10.545 3.551 1.00 0.70 H new ATOM 0 HG23 VAL A 64 5.616 -11.181 1.889 1.00 0.70 H new ATOM 957 N ALA A 65 1.308 -9.273 1.230 1.00 0.32 N ATOM 958 CA ALA A 65 0.073 -8.495 1.053 1.00 0.34 C ATOM 959 C ALA A 65 -1.094 -9.150 1.814 1.00 0.37 C ATOM 960 O ALA A 65 -2.074 -8.494 2.176 1.00 0.46 O ATOM 961 CB ALA A 65 -0.260 -8.297 -0.421 1.00 0.42 C ATOM 0 H ALA A 65 1.684 -9.678 0.373 1.00 0.32 H new ATOM 0 HA ALA A 65 0.237 -7.504 1.476 1.00 0.34 H new ATOM 0 HB1 ALA A 65 -1.179 -7.718 -0.512 1.00 0.42 H new ATOM 0 HB2 ALA A 65 0.555 -7.763 -0.910 1.00 0.42 H new ATOM 0 HB3 ALA A 65 -0.395 -9.268 -0.897 1.00 0.42 H new ATOM 967 N GLY A 66 -0.963 -10.441 2.066 1.00 0.39 N ATOM 968 CA GLY A 66 -1.944 -11.158 2.849 1.00 0.50 C ATOM 969 C GLY A 66 -1.447 -11.400 4.267 1.00 0.52 C ATOM 970 O GLY A 66 -1.968 -12.255 4.984 1.00 0.73 O ATOM 0 H GLY A 66 -0.184 -11.012 1.737 1.00 0.39 H new ATOM 0 HA2 GLY A 66 -2.874 -10.591 2.879 1.00 0.50 H new ATOM 0 HA3 GLY A 66 -2.167 -12.112 2.371 1.00 0.50 H new ATOM 974 N ARG A 67 -0.421 -10.668 4.655 1.00 0.42 N ATOM 975 CA ARG A 67 0.180 -10.773 5.984 1.00 0.50 C ATOM 976 C ARG A 67 0.174 -9.393 6.666 1.00 0.49 C ATOM 977 O ARG A 67 0.549 -9.244 7.834 1.00 0.60 O ATOM 978 CB ARG A 67 1.615 -11.355 5.846 1.00 0.56 C ATOM 979 CG ARG A 67 2.432 -11.468 7.118 1.00 1.09 C ATOM 980 CD ARG A 67 3.778 -12.103 6.832 1.00 1.24 C ATOM 981 NE ARG A 67 4.667 -12.096 8.001 1.00 2.11 N ATOM 982 CZ ARG A 67 5.607 -13.018 8.252 1.00 2.57 C ATOM 983 NH1 ARG A 67 5.669 -14.116 7.519 1.00 2.21 N ATOM 984 NH2 ARG A 67 6.449 -12.862 9.260 1.00 3.62 N ATOM 0 H ARG A 67 0.028 -9.975 4.056 1.00 0.42 H new ATOM 0 HA ARG A 67 -0.398 -11.449 6.615 1.00 0.50 H new ATOM 0 HB2 ARG A 67 1.538 -12.348 5.403 1.00 0.56 H new ATOM 0 HB3 ARG A 67 2.167 -10.733 5.141 1.00 0.56 H new ATOM 0 HG2 ARG A 67 2.575 -10.479 7.554 1.00 1.09 H new ATOM 0 HG3 ARG A 67 1.891 -12.065 7.853 1.00 1.09 H new ATOM 0 HD2 ARG A 67 3.628 -13.131 6.501 1.00 1.24 H new ATOM 0 HD3 ARG A 67 4.259 -11.571 6.011 1.00 1.24 H new ATOM 0 HE ARG A 67 4.561 -11.334 8.671 1.00 2.11 H new ATOM 0 HH11 ARG A 67 5.001 -14.262 6.762 1.00 2.21 H new ATOM 0 HH12 ARG A 67 6.385 -14.817 7.710 1.00 2.21 H new ATOM 0 HH21 ARG A 67 6.386 -12.035 9.854 1.00 3.62 H new ATOM 0 HH22 ARG A 67 7.161 -13.569 9.444 1.00 3.62 H new ATOM 998 N VAL A 68 -0.312 -8.396 5.940 1.00 0.44 N ATOM 999 CA VAL A 68 -0.387 -7.036 6.452 1.00 0.44 C ATOM 1000 C VAL A 68 -1.607 -6.848 7.346 1.00 0.52 C ATOM 1001 O VAL A 68 -2.314 -7.804 7.643 1.00 0.94 O ATOM 1002 CB VAL A 68 -0.353 -5.955 5.324 1.00 0.46 C ATOM 1003 CG1 VAL A 68 0.985 -5.965 4.608 1.00 0.50 C ATOM 1004 CG2 VAL A 68 -1.486 -6.167 4.329 1.00 0.57 C ATOM 0 H VAL A 68 -0.662 -8.506 4.988 1.00 0.44 H new ATOM 0 HA VAL A 68 0.510 -6.888 7.053 1.00 0.44 H new ATOM 0 HB VAL A 68 -0.488 -4.981 5.793 1.00 0.46 H new ATOM 0 HG11 VAL A 68 0.985 -5.205 3.827 1.00 0.50 H new ATOM 0 HG12 VAL A 68 1.781 -5.753 5.322 1.00 0.50 H new ATOM 0 HG13 VAL A 68 1.151 -6.945 4.160 1.00 0.50 H new ATOM 0 HG21 VAL A 68 -1.439 -5.401 3.555 1.00 0.57 H new ATOM 0 HG22 VAL A 68 -1.389 -7.152 3.872 1.00 0.57 H new ATOM 0 HG23 VAL A 68 -2.443 -6.100 4.847 1.00 0.57 H new ATOM 1014 N ASP A 69 -1.856 -5.633 7.750 1.00 0.40 N ATOM 1015 CA ASP A 69 -2.963 -5.331 8.659 1.00 0.57 C ATOM 1016 C ASP A 69 -3.567 -4.004 8.284 1.00 0.40 C ATOM 1017 O ASP A 69 -4.716 -3.921 7.836 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.451 -5.284 10.120 1.00 0.94 C ATOM 1019 CG ASP A 69 -3.519 -4.948 11.147 1.00 1.52 C ATOM 1020 OD1 ASP A 69 -4.317 -5.827 11.510 1.00 1.76 O ATOM 1021 OD2 ASP A 69 -3.562 -3.819 11.614 1.00 2.46 O ATOM 0 H ASP A 69 -1.310 -4.819 7.469 1.00 0.40 H new ATOM 0 HA ASP A 69 -3.721 -6.111 8.578 1.00 0.57 H new ATOM 0 HB2 ASP A 69 -2.014 -6.251 10.371 1.00 0.94 H new ATOM 0 HB3 ASP A 69 -1.652 -4.546 10.189 1.00 0.94 H new ATOM 1026 N THR A 70 -2.780 -2.988 8.451 1.00 0.35 N ATOM 1027 CA THR A 70 -3.133 -1.649 8.128 1.00 0.30 C ATOM 1028 C THR A 70 -2.230 -1.162 6.998 1.00 0.26 C ATOM 1029 O THR A 70 -1.176 -1.786 6.734 1.00 0.26 O ATOM 1030 CB THR A 70 -2.910 -0.787 9.370 1.00 0.44 C ATOM 1031 OG1 THR A 70 -1.632 -1.136 9.932 1.00 0.54 O ATOM 1032 CG2 THR A 70 -3.995 -1.034 10.388 1.00 0.52 C ATOM 0 H THR A 70 -1.838 -3.076 8.831 1.00 0.35 H new ATOM 0 HA THR A 70 -4.174 -1.587 7.812 1.00 0.30 H new ATOM 0 HB THR A 70 -2.935 0.268 9.095 1.00 0.44 H new ATOM 0 HG1 THR A 70 -1.535 -0.714 10.811 1.00 0.54 H new ATOM 0 HG21 THR A 70 -3.819 -0.411 11.265 1.00 0.52 H new ATOM 0 HG22 THR A 70 -4.964 -0.785 9.955 1.00 0.52 H new ATOM 0 HG23 THR A 70 -3.987 -2.084 10.681 1.00 0.52 H new ATOM 1040 N PRO A 71 -2.620 -0.087 6.284 1.00 0.27 N ATOM 1041 CA PRO A 71 -1.811 0.499 5.221 1.00 0.28 C ATOM 1042 C PRO A 71 -0.394 0.820 5.677 1.00 0.27 C ATOM 1043 O PRO A 71 0.543 0.625 4.919 1.00 0.30 O ATOM 1044 CB PRO A 71 -2.567 1.768 4.855 1.00 0.33 C ATOM 1045 CG PRO A 71 -3.974 1.435 5.165 1.00 0.35 C ATOM 1046 CD PRO A 71 -3.914 0.606 6.409 1.00 0.33 C ATOM 0 HA PRO A 71 -1.682 -0.185 4.383 1.00 0.28 H new ATOM 0 HB2 PRO A 71 -2.220 2.623 5.435 1.00 0.33 H new ATOM 0 HB3 PRO A 71 -2.437 2.023 3.803 1.00 0.33 H new ATOM 0 HG2 PRO A 71 -4.567 2.336 5.320 1.00 0.35 H new ATOM 0 HG3 PRO A 71 -4.438 0.885 4.347 1.00 0.35 H new ATOM 0 HD2 PRO A 71 -3.957 1.222 7.307 1.00 0.33 H new ATOM 0 HD3 PRO A 71 -4.745 -0.097 6.466 1.00 0.33 H new ATOM 1054 N ARG A 72 -0.239 1.306 6.921 1.00 0.29 N ATOM 1055 CA ARG A 72 1.065 1.586 7.477 1.00 0.34 C ATOM 1056 C ARG A 72 2.021 0.385 7.411 1.00 0.32 C ATOM 1057 O ARG A 72 3.201 0.562 7.176 1.00 0.35 O ATOM 1058 CB ARG A 72 0.977 2.128 8.891 1.00 0.42 C ATOM 1059 CG ARG A 72 0.246 1.251 9.884 1.00 0.72 C ATOM 1060 CD ARG A 72 0.559 1.654 11.311 1.00 0.75 C ATOM 1061 NE ARG A 72 0.308 3.072 11.573 1.00 0.84 N ATOM 1062 CZ ARG A 72 1.211 3.929 12.072 1.00 1.44 C ATOM 1063 NH1 ARG A 72 2.482 3.567 12.230 1.00 2.34 N ATOM 1064 NH2 ARG A 72 0.838 5.148 12.371 1.00 1.57 N ATOM 0 H ARG A 72 -1.015 1.509 7.551 1.00 0.29 H new ATOM 0 HA ARG A 72 1.490 2.363 6.842 1.00 0.34 H new ATOM 0 HB2 ARG A 72 1.989 2.298 9.259 1.00 0.42 H new ATOM 0 HB3 ARG A 72 0.483 3.099 8.858 1.00 0.42 H new ATOM 0 HG2 ARG A 72 -0.828 1.320 9.712 1.00 0.72 H new ATOM 0 HG3 ARG A 72 0.527 0.209 9.728 1.00 0.72 H new ATOM 0 HD2 ARG A 72 -0.042 1.052 11.993 1.00 0.75 H new ATOM 0 HD3 ARG A 72 1.604 1.430 11.525 1.00 0.75 H new ATOM 0 HE ARG A 72 -0.621 3.435 11.361 1.00 0.84 H new ATOM 0 HH11 ARG A 72 2.781 2.627 11.970 1.00 2.34 H new ATOM 0 HH12 ARG A 72 3.157 4.230 12.611 1.00 2.34 H new ATOM 0 HH21 ARG A 72 -0.129 5.436 12.224 1.00 1.57 H new ATOM 0 HH22 ARG A 72 1.515 5.810 12.751 1.00 1.57 H new ATOM 1078 N GLU A 73 1.496 -0.824 7.606 1.00 0.30 N ATOM 1079 CA GLU A 73 2.308 -2.042 7.546 1.00 0.31 C ATOM 1080 C GLU A 73 2.819 -2.259 6.120 1.00 0.30 C ATOM 1081 O GLU A 73 4.001 -2.511 5.895 1.00 0.33 O ATOM 1082 CB GLU A 73 1.475 -3.256 7.991 1.00 0.36 C ATOM 1083 CG GLU A 73 2.224 -4.580 7.962 1.00 0.42 C ATOM 1084 CD GLU A 73 3.373 -4.643 8.939 1.00 1.08 C ATOM 1085 OE1 GLU A 73 4.455 -4.102 8.662 1.00 1.68 O ATOM 1086 OE2 GLU A 73 3.222 -5.257 9.998 1.00 1.74 O ATOM 0 H GLU A 73 0.510 -0.988 7.807 1.00 0.30 H new ATOM 0 HA GLU A 73 3.159 -1.931 8.218 1.00 0.31 H new ATOM 0 HB2 GLU A 73 1.112 -3.080 9.004 1.00 0.36 H new ATOM 0 HB3 GLU A 73 0.599 -3.335 7.348 1.00 0.36 H new ATOM 0 HG2 GLU A 73 1.526 -5.388 8.181 1.00 0.42 H new ATOM 0 HG3 GLU A 73 2.604 -4.752 6.955 1.00 0.42 H new ATOM 1093 N LEU A 74 1.919 -2.098 5.167 1.00 0.28 N ATOM 1094 CA LEU A 74 2.225 -2.294 3.757 1.00 0.31 C ATOM 1095 C LEU A 74 3.220 -1.194 3.326 1.00 0.31 C ATOM 1096 O LEU A 74 4.198 -1.455 2.627 1.00 0.34 O ATOM 1097 CB LEU A 74 0.873 -2.272 2.964 1.00 0.32 C ATOM 1098 CG LEU A 74 0.843 -2.727 1.481 1.00 0.35 C ATOM 1099 CD1 LEU A 74 1.454 -1.691 0.550 1.00 0.60 C ATOM 1100 CD2 LEU A 74 1.550 -4.068 1.317 1.00 0.50 C ATOM 0 H LEU A 74 0.952 -1.827 5.347 1.00 0.28 H new ATOM 0 HA LEU A 74 2.702 -3.253 3.553 1.00 0.31 H new ATOM 0 HB2 LEU A 74 0.165 -2.896 3.510 1.00 0.32 H new ATOM 0 HB3 LEU A 74 0.492 -1.251 2.999 1.00 0.32 H new ATOM 0 HG LEU A 74 -0.205 -2.839 1.201 1.00 0.35 H new ATOM 0 HD11 LEU A 74 1.410 -2.054 -0.477 1.00 0.60 H new ATOM 0 HD12 LEU A 74 0.897 -0.757 0.629 1.00 0.60 H new ATOM 0 HD13 LEU A 74 2.493 -1.518 0.830 1.00 0.60 H new ATOM 0 HD21 LEU A 74 1.518 -4.370 0.270 1.00 0.50 H new ATOM 0 HD22 LEU A 74 2.588 -3.974 1.636 1.00 0.50 H new ATOM 0 HD23 LEU A 74 1.050 -4.820 1.927 1.00 0.50 H new ATOM 1112 N LEU A 75 2.972 0.005 3.819 1.00 0.32 N ATOM 1113 CA LEU A 75 3.835 1.175 3.648 1.00 0.34 C ATOM 1114 C LEU A 75 5.250 0.879 4.151 1.00 0.33 C ATOM 1115 O LEU A 75 6.240 1.050 3.433 1.00 0.31 O ATOM 1116 CB LEU A 75 3.243 2.328 4.478 1.00 0.38 C ATOM 1117 CG LEU A 75 4.034 3.635 4.544 1.00 0.45 C ATOM 1118 CD1 LEU A 75 4.096 4.287 3.197 1.00 0.52 C ATOM 1119 CD2 LEU A 75 3.421 4.579 5.564 1.00 0.52 C ATOM 0 H LEU A 75 2.137 0.205 4.370 1.00 0.32 H new ATOM 0 HA LEU A 75 3.888 1.436 2.591 1.00 0.34 H new ATOM 0 HB2 LEU A 75 2.254 2.554 4.080 1.00 0.38 H new ATOM 0 HB3 LEU A 75 3.102 1.969 5.498 1.00 0.38 H new ATOM 0 HG LEU A 75 5.051 3.401 4.858 1.00 0.45 H new ATOM 0 HD11 LEU A 75 4.663 5.215 3.268 1.00 0.52 H new ATOM 0 HD12 LEU A 75 4.584 3.616 2.490 1.00 0.52 H new ATOM 0 HD13 LEU A 75 3.085 4.505 2.851 1.00 0.52 H new ATOM 0 HD21 LEU A 75 3.998 5.503 5.597 1.00 0.52 H new ATOM 0 HD22 LEU A 75 2.392 4.803 5.281 1.00 0.52 H new ATOM 0 HD23 LEU A 75 3.433 4.109 6.548 1.00 0.52 H new ATOM 1131 N ASP A 76 5.314 0.405 5.379 1.00 0.35 N ATOM 1132 CA ASP A 76 6.569 0.149 6.071 1.00 0.37 C ATOM 1133 C ASP A 76 7.352 -0.977 5.431 1.00 0.34 C ATOM 1134 O ASP A 76 8.587 -0.956 5.417 1.00 0.35 O ATOM 1135 CB ASP A 76 6.317 -0.142 7.545 1.00 0.45 C ATOM 1136 CG ASP A 76 7.588 -0.280 8.327 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.346 0.699 8.439 1.00 0.69 O ATOM 1138 OD2 ASP A 76 7.876 -1.393 8.811 1.00 0.59 O ATOM 0 H ASP A 76 4.488 0.183 5.934 1.00 0.35 H new ATOM 0 HA ASP A 76 7.175 1.051 5.989 1.00 0.37 H new ATOM 0 HB2 ASP A 76 5.716 0.660 7.973 1.00 0.45 H new ATOM 0 HB3 ASP A 76 5.736 -1.060 7.637 1.00 0.45 H new ATOM 1143 N LEU A 77 6.641 -1.944 4.883 1.00 0.34 N ATOM 1144 CA LEU A 77 7.263 -3.056 4.180 1.00 0.35 C ATOM 1145 C LEU A 77 8.008 -2.509 2.964 1.00 0.34 C ATOM 1146 O LEU A 77 9.173 -2.852 2.727 1.00 0.43 O ATOM 1147 CB LEU A 77 6.176 -4.100 3.773 1.00 0.38 C ATOM 1148 CG LEU A 77 6.629 -5.469 3.172 1.00 0.43 C ATOM 1149 CD1 LEU A 77 7.203 -5.354 1.762 1.00 1.15 C ATOM 1150 CD2 LEU A 77 7.617 -6.163 4.099 1.00 1.54 C ATOM 0 H LEU A 77 5.622 -1.984 4.911 1.00 0.34 H new ATOM 0 HA LEU A 77 7.978 -3.566 4.825 1.00 0.35 H new ATOM 0 HB2 LEU A 77 5.575 -4.311 4.658 1.00 0.38 H new ATOM 0 HB3 LEU A 77 5.517 -3.623 3.047 1.00 0.38 H new ATOM 0 HG LEU A 77 5.728 -6.077 3.086 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.497 -6.342 1.407 1.00 1.15 H new ATOM 0 HD12 LEU A 77 6.448 -4.938 1.095 1.00 1.15 H new ATOM 0 HD13 LEU A 77 8.075 -4.700 1.776 1.00 1.15 H new ATOM 0 HD21 LEU A 77 7.920 -7.114 3.662 1.00 1.54 H new ATOM 0 HD22 LEU A 77 8.494 -5.531 4.235 1.00 1.54 H new ATOM 0 HD23 LEU A 77 7.145 -6.342 5.065 1.00 1.54 H new ATOM 1162 N ILE A 78 7.365 -1.602 2.251 1.00 0.27 N ATOM 1163 CA ILE A 78 7.944 -1.029 1.065 1.00 0.26 C ATOM 1164 C ILE A 78 9.090 -0.135 1.452 1.00 0.28 C ATOM 1165 O ILE A 78 10.141 -0.212 0.864 1.00 0.33 O ATOM 1166 CB ILE A 78 6.904 -0.263 0.215 1.00 0.21 C ATOM 1167 CG1 ILE A 78 5.776 -1.225 -0.161 1.00 0.25 C ATOM 1168 CG2 ILE A 78 7.558 0.317 -1.053 1.00 0.25 C ATOM 1169 CD1 ILE A 78 4.682 -0.627 -1.009 1.00 0.29 C ATOM 0 H ILE A 78 6.436 -1.249 2.481 1.00 0.27 H new ATOM 0 HA ILE A 78 8.312 -1.842 0.440 1.00 0.26 H new ATOM 0 HB ILE A 78 6.503 0.570 0.793 1.00 0.21 H new ATOM 0 HG12 ILE A 78 6.205 -2.073 -0.694 1.00 0.25 H new ATOM 0 HG13 ILE A 78 5.332 -1.616 0.755 1.00 0.25 H new ATOM 0 HG21 ILE A 78 6.809 0.852 -1.637 1.00 0.25 H new ATOM 0 HG22 ILE A 78 8.355 1.004 -0.769 1.00 0.25 H new ATOM 0 HG23 ILE A 78 7.973 -0.494 -1.652 1.00 0.25 H new ATOM 0 HD11 ILE A 78 3.930 -1.387 -1.222 1.00 0.29 H new ATOM 0 HD12 ILE A 78 4.219 0.202 -0.474 1.00 0.29 H new ATOM 0 HD13 ILE A 78 5.105 -0.263 -1.945 1.00 0.29 H new ATOM 1181 N ASN A 79 8.901 0.659 2.496 1.00 0.28 N ATOM 1182 CA ASN A 79 9.962 1.547 2.990 1.00 0.32 C ATOM 1183 C ASN A 79 11.184 0.769 3.453 1.00 0.34 C ATOM 1184 O ASN A 79 12.311 1.254 3.351 1.00 0.37 O ATOM 1185 CB ASN A 79 9.478 2.486 4.101 1.00 0.37 C ATOM 1186 CG ASN A 79 8.616 3.625 3.592 1.00 0.43 C ATOM 1187 OD1 ASN A 79 8.743 4.045 2.454 1.00 1.24 O ATOM 1188 ND2 ASN A 79 7.781 4.168 4.443 1.00 0.69 N ATOM 0 H ASN A 79 8.028 0.712 3.021 1.00 0.28 H new ATOM 0 HA ASN A 79 10.250 2.165 2.140 1.00 0.32 H new ATOM 0 HB2 ASN A 79 8.911 1.910 4.833 1.00 0.37 H new ATOM 0 HB3 ASN A 79 10.343 2.898 4.621 1.00 0.37 H new ATOM 0 HD21 ASN A 79 7.213 4.967 4.161 1.00 0.69 H new ATOM 0 HD22 ASN A 79 7.699 3.792 5.388 1.00 0.69 H new ATOM 1195 N GLY A 80 10.967 -0.443 3.935 1.00 0.37 N ATOM 1196 CA GLY A 80 12.070 -1.297 4.320 1.00 0.43 C ATOM 1197 C GLY A 80 12.777 -1.830 3.096 1.00 0.42 C ATOM 1198 O GLY A 80 14.001 -1.926 3.054 1.00 0.50 O ATOM 0 H GLY A 80 10.042 -0.853 4.067 1.00 0.37 H new ATOM 0 HA2 GLY A 80 12.772 -0.738 4.938 1.00 0.43 H new ATOM 0 HA3 GLY A 80 11.702 -2.126 4.925 1.00 0.43 H new ATOM 1202 N ALA A 81 11.999 -2.130 2.079 1.00 0.38 N ATOM 1203 CA ALA A 81 12.508 -2.621 0.808 1.00 0.40 C ATOM 1204 C ALA A 81 13.204 -1.482 0.037 1.00 0.37 C ATOM 1205 O ALA A 81 14.036 -1.711 -0.848 1.00 0.44 O ATOM 1206 CB ALA A 81 11.363 -3.210 -0.009 1.00 0.42 C ATOM 0 H ALA A 81 10.983 -2.040 2.107 1.00 0.38 H new ATOM 0 HA ALA A 81 13.244 -3.404 0.992 1.00 0.40 H new ATOM 0 HB1 ALA A 81 11.747 -3.577 -0.961 1.00 0.42 H new ATOM 0 HB2 ALA A 81 10.909 -4.034 0.542 1.00 0.42 H new ATOM 0 HB3 ALA A 81 10.613 -2.440 -0.193 1.00 0.42 H new ATOM 1212 N LEU A 82 12.851 -0.265 0.382 1.00 0.35 N ATOM 1213 CA LEU A 82 13.431 0.940 -0.198 1.00 0.39 C ATOM 1214 C LEU A 82 14.847 1.191 0.297 1.00 0.53 C ATOM 1215 O LEU A 82 15.524 2.097 -0.168 1.00 0.67 O ATOM 1216 CB LEU A 82 12.533 2.159 0.008 1.00 0.39 C ATOM 1217 CG LEU A 82 11.165 2.078 -0.669 1.00 0.37 C ATOM 1218 CD1 LEU A 82 10.371 3.353 -0.480 1.00 0.49 C ATOM 1219 CD2 LEU A 82 11.313 1.744 -2.131 1.00 0.49 C ATOM 0 H LEU A 82 12.139 -0.074 1.087 1.00 0.35 H new ATOM 0 HA LEU A 82 13.499 0.770 -1.272 1.00 0.39 H new ATOM 0 HB2 LEU A 82 12.384 2.304 1.078 1.00 0.39 H new ATOM 0 HB3 LEU A 82 13.054 3.041 -0.364 1.00 0.39 H new ATOM 0 HG LEU A 82 10.606 1.275 -0.189 1.00 0.37 H new ATOM 0 HD11 LEU A 82 9.405 3.257 -0.975 1.00 0.49 H new ATOM 0 HD12 LEU A 82 10.217 3.531 0.584 1.00 0.49 H new ATOM 0 HD13 LEU A 82 10.919 4.190 -0.913 1.00 0.49 H new ATOM 0 HD21 LEU A 82 10.328 1.691 -2.594 1.00 0.49 H new ATOM 0 HD22 LEU A 82 11.904 2.517 -2.623 1.00 0.49 H new ATOM 0 HD23 LEU A 82 11.815 0.782 -2.235 1.00 0.49 H new ATOM 1231 N ALA A 83 15.257 0.461 1.316 1.00 0.63 N ATOM 1232 CA ALA A 83 16.647 0.483 1.725 1.00 0.81 C ATOM 1233 C ALA A 83 17.483 -0.139 0.608 1.00 0.84 C ATOM 1234 O ALA A 83 18.538 0.372 0.229 1.00 1.00 O ATOM 1235 CB ALA A 83 16.841 -0.272 3.031 1.00 0.99 C ATOM 0 H ALA A 83 14.655 -0.148 1.870 1.00 0.63 H new ATOM 0 HA ALA A 83 16.965 1.511 1.898 1.00 0.81 H new ATOM 0 HB1 ALA A 83 17.892 -0.241 3.317 1.00 0.99 H new ATOM 0 HB2 ALA A 83 16.239 0.192 3.812 1.00 0.99 H new ATOM 0 HB3 ALA A 83 16.531 -1.309 2.901 1.00 0.99 H new ATOM 1241 N GLU A 84 16.942 -1.215 0.050 1.00 0.79 N ATOM 1242 CA GLU A 84 17.571 -1.961 -1.022 1.00 0.94 C ATOM 1243 C GLU A 84 17.416 -1.192 -2.333 1.00 0.95 C ATOM 1244 O GLU A 84 18.389 -0.914 -3.046 1.00 1.34 O ATOM 1245 CB GLU A 84 16.846 -3.290 -1.183 1.00 1.11 C ATOM 1246 CG GLU A 84 16.674 -4.100 0.087 1.00 1.64 C ATOM 1247 CD GLU A 84 15.765 -5.272 -0.147 1.00 1.84 C ATOM 1248 OE1 GLU A 84 16.239 -6.326 -0.594 1.00 2.22 O ATOM 1249 OE2 GLU A 84 14.544 -5.138 0.054 1.00 2.18 O ATOM 0 H GLU A 84 16.040 -1.596 0.337 1.00 0.79 H new ATOM 0 HA GLU A 84 18.625 -2.112 -0.788 1.00 0.94 H new ATOM 0 HB2 GLU A 84 15.860 -3.097 -1.606 1.00 1.11 H new ATOM 0 HB3 GLU A 84 17.391 -3.895 -1.908 1.00 1.11 H new ATOM 0 HG2 GLU A 84 17.646 -4.451 0.434 1.00 1.64 H new ATOM 0 HG3 GLU A 84 16.264 -3.468 0.874 1.00 1.64 H new