USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 610 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 35 CYS SG : rot -101:sc= -1.21 USER MOD Set 1.2: A 69 SER OG : rot 118:sc= 0.945 USER MOD Set 1.3: A 71 THR OG1 : rot 180:sc= 0.809 USER MOD Set 2.1: A 45 MET CE :methyl 158:sc= -2.9 (180deg=-1.49!) USER MOD Set 2.2: A 81 MET CE :methyl -161:sc= -3.94 (180deg=-1.35) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -2.96! K(o=-3!,f=-1.4) USER MOD Single : A 13 THR OG1 : rot -149:sc= -2.37 USER MOD Single : A 16 GLN : amide:sc= -2.47! C(o=-2.5!,f=-2.4!) USER MOD Single : A 17 LYS NZ :NH3+ -155:sc= 0.197 (180deg=0.0249) USER MOD Single : A 18 ASN : amide:sc= -0.0301 K(o=-0.03,f=-1.9!) USER MOD Single : A 21 LYS NZ :NH3+ 149:sc= -0.321 (180deg=-1.99!) USER MOD Single : A 37 SER OG : rot -125:sc= -0.0918 USER MOD Single : A 38 THR OG1 : rot -170:sc= -2.17 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -115:sc= -1.38! (180deg=-3.19!) USER MOD Single : A 50 GLN : amide:sc= -0.191 K(o=-0.19,f=-3.7!) USER MOD Single : A 51 ASN : amide:sc= -0.916 K(o=-0.92,f=-7.7!) USER MOD Single : A 53 THR OG1 : rot -139:sc= -1.8! USER MOD Single : A 58 GLN : amide:sc= -0.528 K(o=-0.53,f=-1) USER MOD Single : A 60 MET CE :methyl -119:sc= -2.97! (180deg=-6!) USER MOD Single : A 80 MET CE :methyl 136:sc= -0.278 (180deg=-1.36!) USER MOD Single : A 84 CYS SG : rot -44:sc= -0.343 USER MOD Single : A 85 MET CE :methyl -167:sc= 0 (180deg=-0.0257) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR A 5 79.551 -3.597 9.098 1.00 1.29 N ATOM 64 CA TYR A 5 78.642 -3.291 7.958 1.00 1.15 C ATOM 65 C TYR A 5 79.108 -2.023 7.236 1.00 1.04 C ATOM 66 O TYR A 5 78.953 -1.887 6.040 1.00 1.02 O ATOM 67 CB TYR A 5 77.268 -3.076 8.592 1.00 1.16 C ATOM 68 CG TYR A 5 76.567 -4.406 8.735 1.00 1.39 C ATOM 69 CD1 TYR A 5 75.833 -4.930 7.664 1.00 1.89 C ATOM 70 CD2 TYR A 5 76.653 -5.118 9.938 1.00 1.97 C ATOM 71 CE1 TYR A 5 75.184 -6.163 7.796 1.00 2.12 C ATOM 72 CE2 TYR A 5 76.005 -6.351 10.070 1.00 2.21 C ATOM 73 CZ TYR A 5 75.270 -6.874 8.998 1.00 1.97 C ATOM 74 OH TYR A 5 74.631 -8.091 9.129 1.00 2.28 O ATOM 0 HA TYR A 5 78.626 -4.090 7.216 1.00 1.15 H new ATOM 0 HB2 TYR A 5 77.376 -2.603 9.568 1.00 1.16 H new ATOM 0 HB3 TYR A 5 76.672 -2.403 7.975 1.00 1.16 H new ATOM 0 HD1 TYR A 5 75.768 -4.382 6.735 1.00 1.89 H new ATOM 0 HD2 TYR A 5 77.220 -4.715 10.764 1.00 1.97 H new ATOM 0 HE1 TYR A 5 74.617 -6.566 6.970 1.00 2.12 H new ATOM 0 HE2 TYR A 5 76.071 -6.899 10.998 1.00 2.21 H new ATOM 0 HH TYR A 5 74.794 -8.451 10.026 1.00 2.28 H new ATOM 84 N LYS A 6 79.682 -1.096 7.954 1.00 1.08 N ATOM 85 CA LYS A 6 80.161 0.157 7.304 1.00 1.15 C ATOM 86 C LYS A 6 81.096 -0.183 6.141 1.00 1.34 C ATOM 87 O LYS A 6 81.172 0.531 5.162 1.00 1.48 O ATOM 88 CB LYS A 6 80.916 0.910 8.400 1.00 1.28 C ATOM 89 CG LYS A 6 80.243 2.260 8.654 1.00 1.93 C ATOM 90 CD LYS A 6 80.854 2.910 9.898 1.00 2.17 C ATOM 91 CE LYS A 6 80.932 4.425 9.700 1.00 3.13 C ATOM 92 NZ LYS A 6 81.466 4.952 10.987 1.00 3.45 N ATOM 0 H LYS A 6 79.840 -1.152 8.960 1.00 1.08 H new ATOM 0 HA LYS A 6 79.344 0.752 6.894 1.00 1.15 H new ATOM 0 HB2 LYS A 6 80.929 0.321 9.317 1.00 1.28 H new ATOM 0 HB3 LYS A 6 81.954 1.060 8.103 1.00 1.28 H new ATOM 0 HG2 LYS A 6 80.373 2.911 7.790 1.00 1.93 H new ATOM 0 HG3 LYS A 6 79.170 2.123 8.792 1.00 1.93 H new ATOM 0 HD2 LYS A 6 80.250 2.678 10.775 1.00 2.17 H new ATOM 0 HD3 LYS A 6 81.849 2.505 10.080 1.00 2.17 H new ATOM 0 HE2 LYS A 6 81.586 4.681 8.866 1.00 3.13 H new ATOM 0 HE3 LYS A 6 79.951 4.845 9.477 1.00 3.13 H new ATOM 0 HZ1 LYS A 6 81.549 5.987 10.931 1.00 3.45 H new ATOM 0 HZ2 LYS A 6 80.820 4.698 11.761 1.00 3.45 H new ATOM 0 HZ3 LYS A 6 82.403 4.539 11.169 1.00 3.45 H new ATOM 106 N ALA A 7 81.805 -1.274 6.241 1.00 1.45 N ATOM 107 CA ALA A 7 82.733 -1.666 5.143 1.00 1.74 C ATOM 108 C ALA A 7 81.953 -2.338 4.010 1.00 1.74 C ATOM 109 O ALA A 7 82.339 -2.282 2.859 1.00 1.92 O ATOM 110 CB ALA A 7 83.708 -2.655 5.783 1.00 1.95 C ATOM 0 H ALA A 7 81.782 -1.912 7.037 1.00 1.45 H new ATOM 0 HA ALA A 7 83.249 -0.809 4.710 1.00 1.74 H new ATOM 0 HB1 ALA A 7 84.427 -2.992 5.036 1.00 1.95 H new ATOM 0 HB2 ALA A 7 84.237 -2.167 6.601 1.00 1.95 H new ATOM 0 HB3 ALA A 7 83.156 -3.512 6.168 1.00 1.95 H new ATOM 116 N ALA A 8 80.857 -2.972 4.327 1.00 1.60 N ATOM 117 CA ALA A 8 80.051 -3.644 3.268 1.00 1.68 C ATOM 118 C ALA A 8 79.415 -2.602 2.347 1.00 1.49 C ATOM 119 O ALA A 8 79.194 -2.844 1.178 1.00 1.62 O ATOM 120 CB ALA A 8 78.973 -4.420 4.025 1.00 1.71 C ATOM 0 H ALA A 8 80.485 -3.054 5.273 1.00 1.60 H new ATOM 0 HA ALA A 8 80.657 -4.296 2.638 1.00 1.68 H new ATOM 0 HB1 ALA A 8 78.335 -4.945 3.314 1.00 1.71 H new ATOM 0 HB2 ALA A 8 79.445 -5.143 4.691 1.00 1.71 H new ATOM 0 HB3 ALA A 8 78.369 -3.727 4.611 1.00 1.71 H new ATOM 126 N VAL A 9 79.120 -1.442 2.865 1.00 1.25 N ATOM 127 CA VAL A 9 78.498 -0.384 2.019 1.00 1.20 C ATOM 128 C VAL A 9 79.557 0.267 1.124 1.00 1.40 C ATOM 129 O VAL A 9 79.291 0.632 -0.003 1.00 1.41 O ATOM 130 CB VAL A 9 77.933 0.635 3.008 1.00 1.13 C ATOM 131 CG1 VAL A 9 77.258 1.773 2.242 1.00 1.83 C ATOM 132 CG2 VAL A 9 76.904 -0.049 3.911 1.00 1.52 C ATOM 0 H VAL A 9 79.283 -1.181 3.837 1.00 1.25 H new ATOM 0 HA VAL A 9 77.726 -0.783 1.361 1.00 1.20 H new ATOM 0 HB VAL A 9 78.743 1.037 3.616 1.00 1.13 H new ATOM 0 HG11 VAL A 9 76.856 2.499 2.949 1.00 1.83 H new ATOM 0 HG12 VAL A 9 77.989 2.261 1.597 1.00 1.83 H new ATOM 0 HG13 VAL A 9 76.448 1.372 1.633 1.00 1.83 H new ATOM 0 HG21 VAL A 9 76.500 0.677 4.617 1.00 1.52 H new ATOM 0 HG22 VAL A 9 76.095 -0.451 3.301 1.00 1.52 H new ATOM 0 HG23 VAL A 9 77.383 -0.860 4.459 1.00 1.52 H new ATOM 142 N GLU A 10 80.758 0.413 1.618 1.00 1.64 N ATOM 143 CA GLU A 10 81.832 1.039 0.794 1.00 1.94 C ATOM 144 C GLU A 10 82.387 0.019 -0.205 1.00 1.97 C ATOM 145 O GLU A 10 82.982 0.373 -1.204 1.00 2.19 O ATOM 146 CB GLU A 10 82.912 1.454 1.794 1.00 2.23 C ATOM 147 CG GLU A 10 82.742 2.934 2.144 1.00 2.75 C ATOM 148 CD GLU A 10 83.975 3.424 2.906 1.00 3.11 C ATOM 149 OE1 GLU A 10 84.913 2.655 3.031 1.00 3.35 O ATOM 150 OE2 GLU A 10 83.960 4.558 3.352 1.00 3.61 O ATOM 0 H GLU A 10 81.041 0.126 2.555 1.00 1.64 H new ATOM 0 HA GLU A 10 81.468 1.888 0.216 1.00 1.94 H new ATOM 0 HB2 GLU A 10 82.841 0.846 2.696 1.00 2.23 H new ATOM 0 HB3 GLU A 10 83.901 1.281 1.370 1.00 2.23 H new ATOM 0 HG2 GLU A 10 82.607 3.520 1.235 1.00 2.75 H new ATOM 0 HG3 GLU A 10 81.847 3.075 2.750 1.00 2.75 H new ATOM 157 N GLN A 11 82.194 -1.245 0.058 1.00 1.87 N ATOM 158 CA GLN A 11 82.707 -2.289 -0.875 1.00 2.00 C ATOM 159 C GLN A 11 81.885 -2.288 -2.166 1.00 1.46 C ATOM 160 O GLN A 11 82.304 -2.807 -3.181 1.00 1.69 O ATOM 161 CB GLN A 11 82.527 -3.610 -0.127 1.00 2.54 C ATOM 162 CG GLN A 11 83.896 -4.230 0.154 1.00 3.27 C ATOM 163 CD GLN A 11 84.202 -4.134 1.650 1.00 3.83 C ATOM 164 OE1 GLN A 11 84.083 -5.106 2.371 1.00 4.41 O ATOM 165 NE2 GLN A 11 84.593 -2.995 2.152 1.00 3.95 N ATOM 0 H GLN A 11 81.703 -1.600 0.879 1.00 1.87 H new ATOM 0 HA GLN A 11 83.746 -2.119 -1.157 1.00 2.00 H new ATOM 0 HB2 GLN A 11 81.994 -3.440 0.809 1.00 2.54 H new ATOM 0 HB3 GLN A 11 81.921 -4.295 -0.719 1.00 2.54 H new ATOM 0 HG2 GLN A 11 83.907 -5.272 -0.164 1.00 3.27 H new ATOM 0 HG3 GLN A 11 84.666 -3.713 -0.419 1.00 3.27 H new ATOM 0 HE21 GLN A 11 84.693 -2.179 1.548 1.00 3.95 H new ATOM 0 HE22 GLN A 11 84.799 -2.920 3.148 1.00 3.95 H new ATOM 174 N LEU A 12 80.715 -1.712 -2.133 1.00 1.14 N ATOM 175 CA LEU A 12 79.862 -1.680 -3.356 1.00 1.23 C ATOM 176 C LEU A 12 80.629 -1.053 -4.523 1.00 1.75 C ATOM 177 O LEU A 12 81.061 0.081 -4.460 1.00 2.52 O ATOM 178 CB LEU A 12 78.661 -0.812 -2.978 1.00 1.10 C ATOM 179 CG LEU A 12 77.868 -1.496 -1.863 1.00 1.16 C ATOM 180 CD1 LEU A 12 76.569 -0.728 -1.615 1.00 1.74 C ATOM 181 CD2 LEU A 12 77.538 -2.932 -2.278 1.00 1.62 C ATOM 0 H LEU A 12 80.312 -1.261 -1.311 1.00 1.14 H new ATOM 0 HA LEU A 12 79.562 -2.678 -3.674 1.00 1.23 H new ATOM 0 HB2 LEU A 12 78.998 0.171 -2.649 1.00 1.10 H new ATOM 0 HB3 LEU A 12 78.024 -0.655 -3.848 1.00 1.10 H new ATOM 0 HG LEU A 12 78.464 -1.508 -0.950 1.00 1.16 H new ATOM 0 HD11 LEU A 12 76.004 -1.216 -0.820 1.00 1.74 H new ATOM 0 HD12 LEU A 12 76.802 0.295 -1.319 1.00 1.74 H new ATOM 0 HD13 LEU A 12 75.974 -0.715 -2.528 1.00 1.74 H new ATOM 0 HD21 LEU A 12 76.973 -3.420 -1.484 1.00 1.62 H new ATOM 0 HD22 LEU A 12 76.943 -2.919 -3.191 1.00 1.62 H new ATOM 0 HD23 LEU A 12 78.463 -3.481 -2.455 1.00 1.62 H new ATOM 193 N THR A 13 80.803 -1.784 -5.590 1.00 1.74 N ATOM 194 CA THR A 13 81.541 -1.233 -6.762 1.00 2.37 C ATOM 195 C THR A 13 80.843 0.029 -7.281 1.00 2.28 C ATOM 196 O THR A 13 79.634 0.138 -7.251 1.00 1.84 O ATOM 197 CB THR A 13 81.499 -2.343 -7.812 1.00 2.87 C ATOM 198 OG1 THR A 13 80.149 -2.719 -8.048 1.00 2.80 O ATOM 199 CG2 THR A 13 82.285 -3.555 -7.306 1.00 3.47 C ATOM 0 H THR A 13 80.466 -2.740 -5.701 1.00 1.74 H new ATOM 0 HA THR A 13 82.563 -0.948 -6.512 1.00 2.37 H new ATOM 0 HB THR A 13 81.944 -1.983 -8.739 1.00 2.87 H new ATOM 0 HG1 THR A 13 80.111 -3.668 -8.290 1.00 2.80 H new ATOM 0 HG21 THR A 13 82.255 -4.347 -8.055 1.00 3.47 H new ATOM 0 HG22 THR A 13 83.320 -3.267 -7.124 1.00 3.47 H new ATOM 0 HG23 THR A 13 81.840 -3.916 -6.379 1.00 3.47 H new ATOM 207 N GLU A 14 81.598 0.982 -7.756 1.00 2.79 N ATOM 208 CA GLU A 14 80.982 2.236 -8.276 1.00 2.85 C ATOM 209 C GLU A 14 79.736 1.916 -9.107 1.00 2.54 C ATOM 210 O GLU A 14 78.680 2.481 -8.906 1.00 2.21 O ATOM 211 CB GLU A 14 82.061 2.872 -9.155 1.00 3.57 C ATOM 212 CG GLU A 14 82.795 3.955 -8.363 1.00 3.91 C ATOM 213 CD GLU A 14 83.588 3.309 -7.225 1.00 4.24 C ATOM 214 OE1 GLU A 14 84.323 2.374 -7.498 1.00 4.48 O ATOM 215 OE2 GLU A 14 83.447 3.760 -6.100 1.00 4.66 O ATOM 0 H GLU A 14 82.616 0.946 -7.806 1.00 2.79 H new ATOM 0 HA GLU A 14 80.663 2.900 -7.472 1.00 2.85 H new ATOM 0 HB2 GLU A 14 82.766 2.111 -9.490 1.00 3.57 H new ATOM 0 HB3 GLU A 14 81.609 3.304 -10.048 1.00 3.57 H new ATOM 0 HG2 GLU A 14 83.467 4.508 -9.020 1.00 3.91 H new ATOM 0 HG3 GLU A 14 82.080 4.673 -7.960 1.00 3.91 H new ATOM 222 N GLU A 15 79.854 1.015 -10.045 1.00 2.73 N ATOM 223 CA GLU A 15 78.679 0.659 -10.895 1.00 2.59 C ATOM 224 C GLU A 15 77.421 0.494 -10.034 1.00 2.19 C ATOM 225 O GLU A 15 76.321 0.763 -10.473 1.00 2.08 O ATOM 226 CB GLU A 15 79.056 -0.669 -11.551 1.00 3.01 C ATOM 227 CG GLU A 15 79.333 -1.714 -10.469 1.00 3.67 C ATOM 228 CD GLU A 15 80.097 -2.892 -11.078 1.00 4.32 C ATOM 229 OE1 GLU A 15 79.759 -3.284 -12.183 1.00 4.51 O ATOM 230 OE2 GLU A 15 81.007 -3.380 -10.430 1.00 4.98 O ATOM 0 H GLU A 15 80.713 0.509 -10.260 1.00 2.73 H new ATOM 0 HA GLU A 15 78.456 1.432 -11.630 1.00 2.59 H new ATOM 0 HB2 GLU A 15 78.249 -1.008 -12.200 1.00 3.01 H new ATOM 0 HB3 GLU A 15 79.937 -0.539 -12.179 1.00 3.01 H new ATOM 0 HG2 GLU A 15 79.913 -1.270 -9.660 1.00 3.67 H new ATOM 0 HG3 GLU A 15 78.395 -2.061 -10.035 1.00 3.67 H new ATOM 237 N GLN A 16 77.574 0.050 -8.818 1.00 2.04 N ATOM 238 CA GLN A 16 76.383 -0.136 -7.938 1.00 1.73 C ATOM 239 C GLN A 16 75.830 1.220 -7.487 1.00 1.35 C ATOM 240 O GLN A 16 74.752 1.621 -7.875 1.00 1.17 O ATOM 241 CB GLN A 16 76.898 -0.929 -6.738 1.00 1.74 C ATOM 242 CG GLN A 16 75.713 -1.491 -5.951 1.00 2.16 C ATOM 243 CD GLN A 16 75.885 -3.000 -5.776 1.00 2.30 C ATOM 244 OE1 GLN A 16 76.411 -3.667 -6.645 1.00 3.06 O ATOM 245 NE2 GLN A 16 75.460 -3.571 -4.683 1.00 2.19 N ATOM 0 H GLN A 16 78.470 -0.192 -8.394 1.00 2.04 H new ATOM 0 HA GLN A 16 75.571 -0.650 -8.452 1.00 1.73 H new ATOM 0 HB2 GLN A 16 77.542 -1.741 -7.075 1.00 1.74 H new ATOM 0 HB3 GLN A 16 77.502 -0.287 -6.097 1.00 1.74 H new ATOM 0 HG2 GLN A 16 75.648 -1.007 -4.977 1.00 2.16 H new ATOM 0 HG3 GLN A 16 74.781 -1.279 -6.476 1.00 2.16 H new ATOM 0 HE21 GLN A 16 75.019 -3.011 -3.954 1.00 2.19 H new ATOM 0 HE22 GLN A 16 75.569 -4.577 -4.558 1.00 2.19 H new ATOM 254 N LYS A 17 76.558 1.923 -6.665 1.00 1.41 N ATOM 255 CA LYS A 17 76.074 3.249 -6.181 1.00 1.21 C ATOM 256 C LYS A 17 75.709 4.155 -7.361 1.00 1.08 C ATOM 257 O LYS A 17 74.773 4.927 -7.293 1.00 0.97 O ATOM 258 CB LYS A 17 77.247 3.836 -5.398 1.00 1.52 C ATOM 259 CG LYS A 17 77.097 3.484 -3.917 1.00 2.28 C ATOM 260 CD LYS A 17 78.398 2.868 -3.402 1.00 2.64 C ATOM 261 CE LYS A 17 79.543 3.866 -3.585 1.00 2.74 C ATOM 262 NZ LYS A 17 80.586 3.118 -4.340 1.00 2.91 N ATOM 0 H LYS A 17 77.469 1.637 -6.306 1.00 1.41 H new ATOM 0 HA LYS A 17 75.177 3.157 -5.569 1.00 1.21 H new ATOM 0 HB2 LYS A 17 78.188 3.443 -5.783 1.00 1.52 H new ATOM 0 HB3 LYS A 17 77.278 4.918 -5.525 1.00 1.52 H new ATOM 0 HG2 LYS A 17 76.854 4.378 -3.343 1.00 2.28 H new ATOM 0 HG3 LYS A 17 76.273 2.784 -3.781 1.00 2.28 H new ATOM 0 HD2 LYS A 17 78.296 2.604 -2.349 1.00 2.64 H new ATOM 0 HD3 LYS A 17 78.615 1.946 -3.942 1.00 2.64 H new ATOM 0 HE2 LYS A 17 79.214 4.748 -4.134 1.00 2.74 H new ATOM 0 HE3 LYS A 17 79.923 4.212 -2.624 1.00 2.74 H new ATOM 0 HZ1 LYS A 17 81.519 3.535 -4.149 1.00 2.91 H new ATOM 0 HZ2 LYS A 17 80.584 2.122 -4.040 1.00 2.91 H new ATOM 0 HZ3 LYS A 17 80.384 3.173 -5.359 1.00 2.91 H new ATOM 276 N ASN A 18 76.438 4.072 -8.439 1.00 1.19 N ATOM 277 CA ASN A 18 76.126 4.936 -9.616 1.00 1.13 C ATOM 278 C ASN A 18 74.745 4.589 -10.179 1.00 0.92 C ATOM 279 O ASN A 18 73.991 5.454 -10.577 1.00 0.77 O ATOM 280 CB ASN A 18 77.216 4.623 -10.641 1.00 1.38 C ATOM 281 CG ASN A 18 78.499 5.367 -10.266 1.00 1.81 C ATOM 282 OD1 ASN A 18 78.522 6.123 -9.315 1.00 1.98 O ATOM 283 ND2 ASN A 18 79.577 5.183 -10.978 1.00 2.51 N ATOM 0 H ASN A 18 77.234 3.446 -8.558 1.00 1.19 H new ATOM 0 HA ASN A 18 76.105 5.994 -9.354 1.00 1.13 H new ATOM 0 HB2 ASN A 18 77.402 3.549 -10.673 1.00 1.38 H new ATOM 0 HB3 ASN A 18 76.889 4.920 -11.637 1.00 1.38 H new ATOM 0 HD21 ASN A 18 80.438 5.674 -10.736 1.00 2.51 H new ATOM 0 HD22 ASN A 18 79.559 4.549 -11.776 1.00 2.51 H new ATOM 290 N GLU A 19 74.408 3.329 -10.215 1.00 1.02 N ATOM 291 CA GLU A 19 73.076 2.930 -10.753 1.00 0.98 C ATOM 292 C GLU A 19 71.992 3.134 -9.691 1.00 0.83 C ATOM 293 O GLU A 19 70.863 3.460 -9.999 1.00 0.82 O ATOM 294 CB GLU A 19 73.218 1.448 -11.100 1.00 1.25 C ATOM 295 CG GLU A 19 72.561 1.175 -12.453 1.00 1.54 C ATOM 296 CD GLU A 19 71.251 0.414 -12.240 1.00 2.01 C ATOM 297 OE1 GLU A 19 71.236 -0.477 -11.407 1.00 2.48 O ATOM 298 OE2 GLU A 19 70.284 0.737 -12.912 1.00 2.60 O ATOM 0 H GLU A 19 74.996 2.559 -9.896 1.00 1.02 H new ATOM 0 HA GLU A 19 72.785 3.525 -11.619 1.00 0.98 H new ATOM 0 HB2 GLU A 19 74.272 1.171 -11.133 1.00 1.25 H new ATOM 0 HB3 GLU A 19 72.752 0.837 -10.328 1.00 1.25 H new ATOM 0 HG2 GLU A 19 72.368 2.114 -12.972 1.00 1.54 H new ATOM 0 HG3 GLU A 19 73.233 0.594 -13.085 1.00 1.54 H new ATOM 305 N PHE A 20 72.326 2.946 -8.444 1.00 0.83 N ATOM 306 CA PHE A 20 71.312 3.130 -7.366 1.00 0.78 C ATOM 307 C PHE A 20 70.986 4.617 -7.196 1.00 0.69 C ATOM 308 O PHE A 20 69.918 4.980 -6.743 1.00 0.74 O ATOM 309 CB PHE A 20 71.969 2.575 -6.103 1.00 0.94 C ATOM 310 CG PHE A 20 71.721 1.088 -6.023 1.00 1.20 C ATOM 311 CD1 PHE A 20 71.915 0.286 -7.155 1.00 2.07 C ATOM 312 CD2 PHE A 20 71.296 0.510 -4.821 1.00 1.96 C ATOM 313 CE1 PHE A 20 71.684 -1.093 -7.084 1.00 2.93 C ATOM 314 CE2 PHE A 20 71.065 -0.869 -4.749 1.00 2.88 C ATOM 315 CZ PHE A 20 71.259 -1.671 -5.881 1.00 3.19 C ATOM 0 H PHE A 20 73.256 2.673 -8.125 1.00 0.83 H new ATOM 0 HA PHE A 20 70.373 2.623 -7.591 1.00 0.78 H new ATOM 0 HB2 PHE A 20 73.040 2.776 -6.118 1.00 0.94 H new ATOM 0 HB3 PHE A 20 71.564 3.071 -5.221 1.00 0.94 H new ATOM 0 HD1 PHE A 20 72.243 0.732 -8.083 1.00 2.07 H new ATOM 0 HD2 PHE A 20 71.146 1.128 -3.948 1.00 1.96 H new ATOM 0 HE1 PHE A 20 71.834 -1.711 -7.957 1.00 2.93 H new ATOM 0 HE2 PHE A 20 70.737 -1.314 -3.821 1.00 2.88 H new ATOM 0 HZ PHE A 20 71.081 -2.735 -5.826 1.00 3.19 H new ATOM 325 N LYS A 21 71.896 5.480 -7.559 1.00 0.73 N ATOM 326 CA LYS A 21 71.633 6.941 -7.420 1.00 0.83 C ATOM 327 C LYS A 21 70.452 7.346 -8.306 1.00 0.81 C ATOM 328 O LYS A 21 69.556 8.046 -7.880 1.00 0.97 O ATOM 329 CB LYS A 21 72.918 7.623 -7.892 1.00 1.00 C ATOM 330 CG LYS A 21 72.709 9.139 -7.931 1.00 1.37 C ATOM 331 CD LYS A 21 72.620 9.604 -9.387 1.00 1.81 C ATOM 332 CE LYS A 21 72.771 11.125 -9.448 1.00 2.52 C ATOM 333 NZ LYS A 21 74.125 11.399 -8.891 1.00 3.32 N ATOM 0 H LYS A 21 72.808 5.237 -7.945 1.00 0.73 H new ATOM 0 HA LYS A 21 71.378 7.222 -6.398 1.00 0.83 H new ATOM 0 HB2 LYS A 21 73.741 7.376 -7.221 1.00 1.00 H new ATOM 0 HB3 LYS A 21 73.193 7.258 -8.881 1.00 1.00 H new ATOM 0 HG2 LYS A 21 71.797 9.405 -7.397 1.00 1.37 H new ATOM 0 HG3 LYS A 21 73.533 9.644 -7.426 1.00 1.37 H new ATOM 0 HD2 LYS A 21 73.400 9.127 -9.980 1.00 1.81 H new ATOM 0 HD3 LYS A 21 71.664 9.305 -9.817 1.00 1.81 H new ATOM 0 HE2 LYS A 21 72.684 11.490 -10.471 1.00 2.52 H new ATOM 0 HE3 LYS A 21 71.996 11.623 -8.865 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 74.521 12.248 -9.343 1.00 3.32 H new ATOM 0 HZ2 LYS A 21 74.054 11.554 -7.865 1.00 3.32 H new ATOM 0 HZ3 LYS A 21 74.747 10.587 -9.076 1.00 3.32 H new ATOM 347 N ALA A 22 70.442 6.905 -9.534 1.00 0.78 N ATOM 348 CA ALA A 22 69.316 7.261 -10.442 1.00 0.87 C ATOM 349 C ALA A 22 68.014 6.648 -9.920 1.00 0.81 C ATOM 350 O ALA A 22 67.062 7.344 -9.630 1.00 0.83 O ATOM 351 CB ALA A 22 69.689 6.657 -11.796 1.00 0.97 C ATOM 0 H ALA A 22 71.164 6.314 -9.947 1.00 0.78 H new ATOM 0 HA ALA A 22 69.161 8.338 -10.510 1.00 0.87 H new ATOM 0 HB1 ALA A 22 68.905 6.877 -12.521 1.00 0.97 H new ATOM 0 HB2 ALA A 22 70.631 7.085 -12.138 1.00 0.97 H new ATOM 0 HB3 ALA A 22 69.797 5.577 -11.695 1.00 0.97 H new ATOM 357 N ALA A 23 67.968 5.349 -9.795 1.00 0.80 N ATOM 358 CA ALA A 23 66.728 4.692 -9.289 1.00 0.81 C ATOM 359 C ALA A 23 66.267 5.368 -7.996 1.00 0.74 C ATOM 360 O ALA A 23 65.108 5.695 -7.834 1.00 0.77 O ATOM 361 CB ALA A 23 67.129 3.242 -9.020 1.00 0.89 C ATOM 0 H ALA A 23 68.734 4.715 -10.021 1.00 0.80 H new ATOM 0 HA ALA A 23 65.903 4.761 -9.999 1.00 0.81 H new ATOM 0 HB1 ALA A 23 66.268 2.690 -8.644 1.00 0.89 H new ATOM 0 HB2 ALA A 23 67.478 2.783 -9.945 1.00 0.89 H new ATOM 0 HB3 ALA A 23 67.928 3.217 -8.279 1.00 0.89 H new ATOM 367 N PHE A 24 67.167 5.585 -7.074 1.00 0.71 N ATOM 368 CA PHE A 24 66.776 6.245 -5.797 1.00 0.72 C ATOM 369 C PHE A 24 65.922 7.480 -6.092 1.00 0.71 C ATOM 370 O PHE A 24 64.935 7.738 -5.432 1.00 0.73 O ATOM 371 CB PHE A 24 68.098 6.646 -5.139 1.00 0.82 C ATOM 372 CG PHE A 24 67.820 7.389 -3.853 1.00 1.04 C ATOM 373 CD1 PHE A 24 67.356 8.709 -3.893 1.00 1.81 C ATOM 374 CD2 PHE A 24 68.029 6.757 -2.620 1.00 1.51 C ATOM 375 CE1 PHE A 24 67.101 9.398 -2.700 1.00 2.09 C ATOM 376 CE2 PHE A 24 67.773 7.446 -1.429 1.00 1.88 C ATOM 377 CZ PHE A 24 67.309 8.766 -1.468 1.00 1.85 C ATOM 0 H PHE A 24 68.153 5.334 -7.151 1.00 0.71 H new ATOM 0 HA PHE A 24 66.185 5.594 -5.152 1.00 0.72 H new ATOM 0 HB2 PHE A 24 68.698 5.759 -4.936 1.00 0.82 H new ATOM 0 HB3 PHE A 24 68.677 7.274 -5.816 1.00 0.82 H new ATOM 0 HD1 PHE A 24 67.195 9.196 -4.843 1.00 1.81 H new ATOM 0 HD2 PHE A 24 68.387 5.739 -2.589 1.00 1.51 H new ATOM 0 HE1 PHE A 24 66.744 10.417 -2.731 1.00 2.09 H new ATOM 0 HE2 PHE A 24 67.934 6.959 -0.479 1.00 1.88 H new ATOM 0 HZ PHE A 24 67.112 9.297 -0.548 1.00 1.85 H new ATOM 387 N ASP A 25 66.295 8.242 -7.083 1.00 0.81 N ATOM 388 CA ASP A 25 65.507 9.460 -7.428 1.00 0.97 C ATOM 389 C ASP A 25 64.170 9.062 -8.061 1.00 1.04 C ATOM 390 O ASP A 25 63.279 9.874 -8.215 1.00 1.23 O ATOM 391 CB ASP A 25 66.369 10.220 -8.439 1.00 1.18 C ATOM 392 CG ASP A 25 67.828 10.223 -7.974 1.00 1.57 C ATOM 393 OD1 ASP A 25 68.045 10.228 -6.774 1.00 2.18 O ATOM 394 OD2 ASP A 25 68.700 10.221 -8.827 1.00 1.98 O ATOM 0 H ASP A 25 67.112 8.074 -7.670 1.00 0.81 H new ATOM 0 HA ASP A 25 65.279 10.065 -6.550 1.00 0.97 H new ATOM 0 HB2 ASP A 25 66.291 9.754 -9.421 1.00 1.18 H new ATOM 0 HB3 ASP A 25 66.008 11.243 -8.543 1.00 1.18 H new ATOM 399 N ILE A 26 64.024 7.819 -8.435 1.00 0.99 N ATOM 400 CA ILE A 26 62.750 7.372 -9.064 1.00 1.18 C ATOM 401 C ILE A 26 61.694 7.074 -7.996 1.00 1.09 C ATOM 402 O ILE A 26 60.532 7.387 -8.157 1.00 1.23 O ATOM 403 CB ILE A 26 63.114 6.095 -9.820 1.00 1.38 C ATOM 404 CG1 ILE A 26 64.296 6.371 -10.751 1.00 1.55 C ATOM 405 CG2 ILE A 26 61.915 5.636 -10.646 1.00 1.60 C ATOM 406 CD1 ILE A 26 63.905 7.444 -11.768 1.00 1.61 C ATOM 0 H ILE A 26 64.734 7.094 -8.331 1.00 0.99 H new ATOM 0 HA ILE A 26 62.328 8.135 -9.717 1.00 1.18 H new ATOM 0 HB ILE A 26 63.387 5.317 -9.108 1.00 1.38 H new ATOM 0 HG12 ILE A 26 65.159 6.701 -10.172 1.00 1.55 H new ATOM 0 HG13 ILE A 26 64.588 5.456 -11.266 1.00 1.55 H new ATOM 0 HG21 ILE A 26 62.173 4.725 -11.186 1.00 1.60 H new ATOM 0 HG22 ILE A 26 61.071 5.439 -9.984 1.00 1.60 H new ATOM 0 HG23 ILE A 26 61.644 6.416 -11.358 1.00 1.60 H new ATOM 0 HD11 ILE A 26 64.747 7.641 -12.431 1.00 1.61 H new ATOM 0 HD12 ILE A 26 63.054 7.097 -12.355 1.00 1.61 H new ATOM 0 HD13 ILE A 26 63.634 8.361 -11.244 1.00 1.61 H new ATOM 418 N PHE A 27 62.086 6.465 -6.910 1.00 0.94 N ATOM 419 CA PHE A 27 61.099 6.141 -5.842 1.00 0.95 C ATOM 420 C PHE A 27 60.679 7.413 -5.102 1.00 0.79 C ATOM 421 O PHE A 27 59.562 7.533 -4.639 1.00 0.87 O ATOM 422 CB PHE A 27 61.838 5.189 -4.901 1.00 1.05 C ATOM 423 CG PHE A 27 62.567 4.141 -5.711 1.00 1.28 C ATOM 424 CD1 PHE A 27 61.847 3.249 -6.516 1.00 1.67 C ATOM 425 CD2 PHE A 27 63.965 4.062 -5.657 1.00 1.97 C ATOM 426 CE1 PHE A 27 62.524 2.279 -7.265 1.00 1.91 C ATOM 427 CE2 PHE A 27 64.641 3.092 -6.406 1.00 2.24 C ATOM 428 CZ PHE A 27 63.920 2.200 -7.210 1.00 1.91 C ATOM 0 H PHE A 27 63.046 6.178 -6.717 1.00 0.94 H new ATOM 0 HA PHE A 27 60.188 5.696 -6.242 1.00 0.95 H new ATOM 0 HB2 PHE A 27 62.546 5.745 -4.286 1.00 1.05 H new ATOM 0 HB3 PHE A 27 61.132 4.712 -4.221 1.00 1.05 H new ATOM 0 HD1 PHE A 27 60.770 3.309 -6.559 1.00 1.67 H new ATOM 0 HD2 PHE A 27 64.521 4.750 -5.037 1.00 1.97 H new ATOM 0 HE1 PHE A 27 61.969 1.591 -7.886 1.00 1.91 H new ATOM 0 HE2 PHE A 27 65.718 3.031 -6.364 1.00 2.24 H new ATOM 0 HZ PHE A 27 64.442 1.451 -7.788 1.00 1.91 H new ATOM 438 N VAL A 28 61.566 8.364 -4.983 1.00 0.76 N ATOM 439 CA VAL A 28 61.217 9.624 -4.271 1.00 0.78 C ATOM 440 C VAL A 28 60.362 10.525 -5.168 1.00 0.97 C ATOM 441 O VAL A 28 60.023 11.634 -4.807 1.00 1.39 O ATOM 442 CB VAL A 28 62.561 10.284 -3.972 1.00 0.77 C ATOM 443 CG1 VAL A 28 63.497 9.264 -3.322 1.00 1.33 C ATOM 444 CG2 VAL A 28 63.183 10.785 -5.278 1.00 1.34 C ATOM 0 H VAL A 28 62.517 8.321 -5.349 1.00 0.76 H new ATOM 0 HA VAL A 28 60.637 9.443 -3.366 1.00 0.78 H new ATOM 0 HB VAL A 28 62.411 11.124 -3.293 1.00 0.77 H new ATOM 0 HG11 VAL A 28 64.457 9.735 -3.109 1.00 1.33 H new ATOM 0 HG12 VAL A 28 63.055 8.904 -2.393 1.00 1.33 H new ATOM 0 HG13 VAL A 28 63.648 8.425 -4.001 1.00 1.33 H new ATOM 0 HG21 VAL A 28 64.143 11.257 -5.067 1.00 1.34 H new ATOM 0 HG22 VAL A 28 63.333 9.944 -5.955 1.00 1.34 H new ATOM 0 HG23 VAL A 28 62.517 11.511 -5.743 1.00 1.34 H new ATOM 454 N LEU A 29 60.010 10.055 -6.334 1.00 1.11 N ATOM 455 CA LEU A 29 59.176 10.884 -7.251 1.00 1.39 C ATOM 456 C LEU A 29 58.040 11.554 -6.472 1.00 1.56 C ATOM 457 O LEU A 29 57.588 12.628 -6.814 1.00 1.98 O ATOM 458 CB LEU A 29 58.613 9.897 -8.275 1.00 1.45 C ATOM 459 CG LEU A 29 59.501 9.888 -9.519 1.00 1.71 C ATOM 460 CD1 LEU A 29 59.051 8.769 -10.460 1.00 2.28 C ATOM 461 CD2 LEU A 29 59.386 11.235 -10.237 1.00 2.41 C ATOM 0 H LEU A 29 60.264 9.134 -6.691 1.00 1.11 H new ATOM 0 HA LEU A 29 59.750 11.680 -7.725 1.00 1.39 H new ATOM 0 HB2 LEU A 29 58.564 8.897 -7.843 1.00 1.45 H new ATOM 0 HB3 LEU A 29 57.595 10.178 -8.544 1.00 1.45 H new ATOM 0 HG LEU A 29 60.537 9.720 -9.224 1.00 1.71 H new ATOM 0 HD11 LEU A 29 59.684 8.763 -11.347 1.00 2.28 H new ATOM 0 HD12 LEU A 29 59.132 7.809 -9.949 1.00 2.28 H new ATOM 0 HD13 LEU A 29 58.015 8.936 -10.755 1.00 2.28 H new ATOM 0 HD21 LEU A 29 60.019 11.230 -11.124 1.00 2.41 H new ATOM 0 HD22 LEU A 29 58.350 11.403 -10.531 1.00 2.41 H new ATOM 0 HD23 LEU A 29 59.707 12.033 -9.567 1.00 2.41 H new ATOM 473 N GLY A 30 57.577 10.928 -5.425 1.00 1.92 N ATOM 474 CA GLY A 30 56.473 11.527 -4.625 1.00 2.16 C ATOM 475 C GLY A 30 57.051 12.219 -3.389 1.00 1.95 C ATOM 476 O GLY A 30 56.441 13.104 -2.820 1.00 2.01 O ATOM 0 H GLY A 30 57.916 10.027 -5.089 1.00 1.92 H new ATOM 0 HA2 GLY A 30 55.920 12.245 -5.231 1.00 2.16 H new ATOM 0 HA3 GLY A 30 55.767 10.753 -4.324 1.00 2.16 H new ATOM 480 N ALA A 31 58.220 11.825 -2.966 1.00 1.94 N ATOM 481 CA ALA A 31 58.831 12.465 -1.765 1.00 1.87 C ATOM 482 C ALA A 31 58.667 13.986 -1.834 1.00 2.03 C ATOM 483 O ALA A 31 58.326 14.536 -2.861 1.00 2.28 O ATOM 484 CB ALA A 31 60.311 12.083 -1.815 1.00 1.50 C ATOM 0 H ALA A 31 58.779 11.089 -3.398 1.00 1.94 H new ATOM 0 HA ALA A 31 58.358 12.135 -0.840 1.00 1.87 H new ATOM 0 HB1 ALA A 31 60.828 12.519 -0.960 1.00 1.50 H new ATOM 0 HB2 ALA A 31 60.408 10.998 -1.783 1.00 1.50 H new ATOM 0 HB3 ALA A 31 60.753 12.460 -2.737 1.00 1.50 H new ATOM 490 N GLU A 32 58.911 14.666 -0.748 1.00 2.22 N ATOM 491 CA GLU A 32 58.771 16.150 -0.751 1.00 2.52 C ATOM 492 C GLU A 32 60.151 16.808 -0.805 1.00 2.19 C ATOM 493 O GLU A 32 60.284 17.977 -1.112 1.00 2.44 O ATOM 494 CB GLU A 32 58.068 16.484 0.563 1.00 3.02 C ATOM 495 CG GLU A 32 59.013 16.207 1.734 1.00 3.65 C ATOM 496 CD GLU A 32 58.396 15.145 2.646 1.00 4.03 C ATOM 497 OE1 GLU A 32 57.882 14.169 2.124 1.00 4.34 O ATOM 498 OE2 GLU A 32 58.447 15.326 3.852 1.00 4.40 O ATOM 0 H GLU A 32 59.201 14.259 0.141 1.00 2.22 H new ATOM 0 HA GLU A 32 58.212 16.512 -1.614 1.00 2.52 H new ATOM 0 HB2 GLU A 32 57.763 17.530 0.568 1.00 3.02 H new ATOM 0 HB3 GLU A 32 57.162 15.887 0.665 1.00 3.02 H new ATOM 0 HG2 GLU A 32 59.979 15.866 1.363 1.00 3.65 H new ATOM 0 HG3 GLU A 32 59.193 17.124 2.295 1.00 3.65 H new ATOM 505 N ASP A 33 61.181 16.064 -0.512 1.00 1.88 N ATOM 506 CA ASP A 33 62.556 16.639 -0.549 1.00 1.82 C ATOM 507 C ASP A 33 63.498 15.688 -1.290 1.00 1.49 C ATOM 508 O ASP A 33 64.390 16.109 -2.001 1.00 1.70 O ATOM 509 CB ASP A 33 62.969 16.773 0.917 1.00 2.02 C ATOM 510 CG ASP A 33 63.254 15.386 1.497 1.00 2.43 C ATOM 511 OD1 ASP A 33 62.519 14.468 1.174 1.00 2.98 O ATOM 512 OD2 ASP A 33 64.202 15.266 2.255 1.00 2.79 O ATOM 0 H ASP A 33 61.130 15.080 -0.248 1.00 1.88 H new ATOM 0 HA ASP A 33 62.594 17.596 -1.069 1.00 1.82 H new ATOM 0 HB2 ASP A 33 63.855 17.402 1.000 1.00 2.02 H new ATOM 0 HB3 ASP A 33 62.177 17.261 1.486 1.00 2.02 H new ATOM 517 N GLY A 34 63.306 14.407 -1.129 1.00 1.25 N ATOM 518 CA GLY A 34 64.185 13.427 -1.824 1.00 1.06 C ATOM 519 C GLY A 34 64.450 12.236 -0.902 1.00 0.97 C ATOM 520 O GLY A 34 65.535 12.071 -0.379 1.00 1.19 O ATOM 0 H GLY A 34 62.577 13.997 -0.545 1.00 1.25 H new ATOM 0 HA2 GLY A 34 63.712 13.089 -2.746 1.00 1.06 H new ATOM 0 HA3 GLY A 34 65.126 13.901 -2.103 1.00 1.06 H new ATOM 524 N CYS A 35 63.468 11.402 -0.699 1.00 0.83 N ATOM 525 CA CYS A 35 63.662 10.218 0.187 1.00 0.79 C ATOM 526 C CYS A 35 62.763 9.068 -0.272 1.00 0.72 C ATOM 527 O CYS A 35 61.687 9.278 -0.793 1.00 0.75 O ATOM 528 CB CYS A 35 63.251 10.695 1.580 1.00 0.83 C ATOM 529 SG CYS A 35 64.699 11.350 2.445 1.00 1.87 S ATOM 0 H CYS A 35 62.538 11.489 -1.109 1.00 0.83 H new ATOM 0 HA CYS A 35 64.688 9.850 0.169 1.00 0.79 H new ATOM 0 HB2 CYS A 35 62.483 11.464 1.501 1.00 0.83 H new ATOM 0 HB3 CYS A 35 62.819 9.870 2.146 1.00 0.83 H new ATOM 0 HG CYS A 35 65.139 10.463 3.287 1.00 1.87 H new ATOM 535 N ILE A 36 63.197 7.851 -0.085 1.00 0.68 N ATOM 536 CA ILE A 36 62.362 6.689 -0.513 1.00 0.69 C ATOM 537 C ILE A 36 61.606 6.126 0.694 1.00 0.78 C ATOM 538 O ILE A 36 62.110 5.293 1.420 1.00 0.91 O ATOM 539 CB ILE A 36 63.345 5.648 -1.068 1.00 0.66 C ATOM 540 CG1 ILE A 36 64.536 6.344 -1.736 1.00 0.65 C ATOM 541 CG2 ILE A 36 62.633 4.781 -2.108 1.00 0.65 C ATOM 542 CD1 ILE A 36 65.441 5.294 -2.384 1.00 0.76 C ATOM 0 H ILE A 36 64.090 7.610 0.344 1.00 0.68 H new ATOM 0 HA ILE A 36 61.621 6.970 -1.262 1.00 0.69 H new ATOM 0 HB ILE A 36 63.704 5.031 -0.244 1.00 0.66 H new ATOM 0 HG12 ILE A 36 64.184 7.050 -2.488 1.00 0.65 H new ATOM 0 HG13 ILE A 36 65.097 6.918 -0.998 1.00 0.65 H new ATOM 0 HG21 ILE A 36 63.329 4.041 -2.503 1.00 0.65 H new ATOM 0 HG22 ILE A 36 61.789 4.272 -1.642 1.00 0.65 H new ATOM 0 HG23 ILE A 36 62.272 5.411 -2.921 1.00 0.65 H new ATOM 0 HD11 ILE A 36 66.289 5.788 -2.860 1.00 0.76 H new ATOM 0 HD12 ILE A 36 65.804 4.605 -1.621 1.00 0.76 H new ATOM 0 HD13 ILE A 36 64.876 4.740 -3.134 1.00 0.76 H new ATOM 554 N SER A 37 60.403 6.581 0.916 1.00 0.79 N ATOM 555 CA SER A 37 59.617 6.081 2.080 1.00 0.91 C ATOM 556 C SER A 37 59.386 4.573 1.963 1.00 0.85 C ATOM 557 O SER A 37 59.476 4.001 0.894 1.00 0.92 O ATOM 558 CB SER A 37 58.288 6.832 2.011 1.00 1.09 C ATOM 559 OG SER A 37 57.362 6.076 1.242 1.00 1.94 O ATOM 0 H SER A 37 59.930 7.278 0.341 1.00 0.79 H new ATOM 0 HA SER A 37 60.134 6.247 3.025 1.00 0.91 H new ATOM 0 HB2 SER A 37 57.897 6.996 3.015 1.00 1.09 H new ATOM 0 HB3 SER A 37 58.435 7.814 1.562 1.00 1.09 H new ATOM 0 HG SER A 37 57.018 6.628 0.509 1.00 1.94 H new ATOM 565 N THR A 38 59.086 3.926 3.055 1.00 0.88 N ATOM 566 CA THR A 38 58.847 2.456 3.012 1.00 1.02 C ATOM 567 C THR A 38 57.570 2.152 2.226 1.00 1.13 C ATOM 568 O THR A 38 57.455 1.129 1.579 1.00 1.48 O ATOM 569 CB THR A 38 58.687 2.039 4.473 1.00 1.12 C ATOM 570 OG1 THR A 38 58.664 0.621 4.560 1.00 1.47 O ATOM 571 CG2 THR A 38 57.380 2.608 5.019 1.00 1.25 C ATOM 0 H THR A 38 58.996 4.353 3.977 1.00 0.88 H new ATOM 0 HA THR A 38 59.659 1.919 2.521 1.00 1.02 H new ATOM 0 HB THR A 38 59.523 2.423 5.058 1.00 1.12 H new ATOM 0 HG1 THR A 38 58.405 0.353 5.466 1.00 1.47 H new ATOM 0 HG21 THR A 38 57.262 2.313 6.062 1.00 1.25 H new ATOM 0 HG22 THR A 38 57.400 3.696 4.950 1.00 1.25 H new ATOM 0 HG23 THR A 38 56.544 2.223 4.436 1.00 1.25 H new ATOM 579 N LYS A 39 56.608 3.032 2.280 1.00 1.09 N ATOM 580 CA LYS A 39 55.335 2.797 1.539 1.00 1.33 C ATOM 581 C LYS A 39 55.621 2.518 0.060 1.00 1.20 C ATOM 582 O LYS A 39 54.927 1.753 -0.580 1.00 1.45 O ATOM 583 CB LYS A 39 54.543 4.095 1.697 1.00 1.57 C ATOM 584 CG LYS A 39 53.685 4.022 2.962 1.00 2.27 C ATOM 585 CD LYS A 39 52.502 3.080 2.725 1.00 2.86 C ATOM 586 CE LYS A 39 51.463 3.273 3.831 1.00 3.52 C ATOM 587 NZ LYS A 39 50.220 2.645 3.305 1.00 4.37 N ATOM 0 H LYS A 39 56.648 3.905 2.806 1.00 1.09 H new ATOM 0 HA LYS A 39 54.789 1.935 1.921 1.00 1.33 H new ATOM 0 HB2 LYS A 39 55.224 4.944 1.756 1.00 1.57 H new ATOM 0 HB3 LYS A 39 53.910 4.255 0.824 1.00 1.57 H new ATOM 0 HG2 LYS A 39 54.284 3.666 3.800 1.00 2.27 H new ATOM 0 HG3 LYS A 39 53.324 5.016 3.227 1.00 2.27 H new ATOM 0 HD2 LYS A 39 52.054 3.281 1.752 1.00 2.86 H new ATOM 0 HD3 LYS A 39 52.845 2.045 2.711 1.00 2.86 H new ATOM 0 HE2 LYS A 39 51.782 2.799 4.759 1.00 3.52 H new ATOM 0 HE3 LYS A 39 51.310 4.330 4.049 1.00 3.52 H new ATOM 0 HZ1 LYS A 39 49.460 2.737 4.009 1.00 4.37 H new ATOM 0 HZ2 LYS A 39 49.936 3.121 2.425 1.00 4.37 H new ATOM 0 HZ3 LYS A 39 50.394 1.638 3.114 1.00 4.37 H new ATOM 601 N GLU A 40 56.632 3.134 -0.488 1.00 0.96 N ATOM 602 CA GLU A 40 56.951 2.903 -1.926 1.00 0.95 C ATOM 603 C GLU A 40 58.038 1.832 -2.069 1.00 0.84 C ATOM 604 O GLU A 40 58.133 1.164 -3.080 1.00 0.95 O ATOM 605 CB GLU A 40 57.457 4.254 -2.437 1.00 1.08 C ATOM 606 CG GLU A 40 56.290 5.041 -3.037 1.00 1.33 C ATOM 607 CD GLU A 40 55.554 5.790 -1.924 1.00 1.85 C ATOM 608 OE1 GLU A 40 55.302 5.185 -0.895 1.00 2.70 O ATOM 609 OE2 GLU A 40 55.254 6.957 -2.120 1.00 1.99 O ATOM 0 H GLU A 40 57.250 3.786 -0.004 1.00 0.96 H new ATOM 0 HA GLU A 40 56.087 2.548 -2.488 1.00 0.95 H new ATOM 0 HB2 GLU A 40 57.909 4.818 -1.621 1.00 1.08 H new ATOM 0 HB3 GLU A 40 58.233 4.104 -3.188 1.00 1.08 H new ATOM 0 HG2 GLU A 40 56.658 5.746 -3.783 1.00 1.33 H new ATOM 0 HG3 GLU A 40 55.606 4.364 -3.549 1.00 1.33 H new ATOM 616 N LEU A 41 58.857 1.664 -1.067 1.00 0.81 N ATOM 617 CA LEU A 41 59.938 0.638 -1.147 1.00 0.75 C ATOM 618 C LEU A 41 59.408 -0.652 -1.779 1.00 0.77 C ATOM 619 O LEU A 41 60.051 -1.251 -2.618 1.00 0.77 O ATOM 620 CB LEU A 41 60.354 0.391 0.303 1.00 0.82 C ATOM 621 CG LEU A 41 61.849 0.673 0.460 1.00 0.89 C ATOM 622 CD1 LEU A 41 62.216 0.665 1.945 1.00 1.10 C ATOM 623 CD2 LEU A 41 62.649 -0.411 -0.267 1.00 1.20 C ATOM 0 H LEU A 41 58.825 2.193 -0.195 1.00 0.81 H new ATOM 0 HA LEU A 41 60.773 0.969 -1.764 1.00 0.75 H new ATOM 0 HB2 LEU A 41 59.780 1.033 0.971 1.00 0.82 H new ATOM 0 HB3 LEU A 41 60.136 -0.639 0.585 1.00 0.82 H new ATOM 0 HG LEU A 41 62.083 1.648 0.033 1.00 0.89 H new ATOM 0 HD11 LEU A 41 63.281 0.866 2.058 1.00 1.10 H new ATOM 0 HD12 LEU A 41 61.645 1.434 2.465 1.00 1.10 H new ATOM 0 HD13 LEU A 41 61.984 -0.311 2.372 1.00 1.10 H new ATOM 0 HD21 LEU A 41 63.715 -0.212 -0.157 1.00 1.20 H new ATOM 0 HD22 LEU A 41 62.415 -1.385 0.162 1.00 1.20 H new ATOM 0 HD23 LEU A 41 62.387 -0.408 -1.325 1.00 1.20 H new ATOM 635 N GLY A 42 58.244 -1.088 -1.384 1.00 0.88 N ATOM 636 CA GLY A 42 57.685 -2.340 -1.967 1.00 1.02 C ATOM 637 C GLY A 42 57.856 -2.320 -3.487 1.00 0.99 C ATOM 638 O GLY A 42 58.523 -3.161 -4.056 1.00 1.11 O ATOM 0 H GLY A 42 57.657 -0.633 -0.685 1.00 0.88 H new ATOM 0 HA2 GLY A 42 58.193 -3.208 -1.545 1.00 1.02 H new ATOM 0 HA3 GLY A 42 56.630 -2.433 -1.711 1.00 1.02 H new ATOM 642 N LYS A 43 57.263 -1.365 -4.152 1.00 0.91 N ATOM 643 CA LYS A 43 57.401 -1.301 -5.635 1.00 1.00 C ATOM 644 C LYS A 43 58.856 -1.012 -6.012 1.00 0.84 C ATOM 645 O LYS A 43 59.284 -1.268 -7.120 1.00 0.89 O ATOM 646 CB LYS A 43 56.481 -0.159 -6.077 1.00 1.12 C ATOM 647 CG LYS A 43 57.069 1.186 -5.643 1.00 1.32 C ATOM 648 CD LYS A 43 57.166 2.116 -6.856 1.00 1.85 C ATOM 649 CE LYS A 43 55.813 2.174 -7.572 1.00 2.24 C ATOM 650 NZ LYS A 43 55.247 3.505 -7.216 1.00 2.80 N ATOM 0 H LYS A 43 56.692 -0.630 -3.735 1.00 0.91 H new ATOM 0 HA LYS A 43 57.130 -2.239 -6.119 1.00 1.00 H new ATOM 0 HB2 LYS A 43 56.358 -0.179 -7.160 1.00 1.12 H new ATOM 0 HB3 LYS A 43 55.491 -0.290 -5.641 1.00 1.12 H new ATOM 0 HG2 LYS A 43 56.442 1.638 -4.874 1.00 1.32 H new ATOM 0 HG3 LYS A 43 58.056 1.039 -5.204 1.00 1.32 H new ATOM 0 HD2 LYS A 43 57.463 3.115 -6.537 1.00 1.85 H new ATOM 0 HD3 LYS A 43 57.935 1.758 -7.540 1.00 1.85 H new ATOM 0 HE2 LYS A 43 55.932 2.071 -8.651 1.00 2.24 H new ATOM 0 HE3 LYS A 43 55.158 1.366 -7.245 1.00 2.24 H new ATOM 0 HZ1 LYS A 43 54.318 3.620 -7.670 1.00 2.80 H new ATOM 0 HZ2 LYS A 43 55.139 3.571 -6.184 1.00 2.80 H new ATOM 0 HZ3 LYS A 43 55.888 4.254 -7.546 1.00 2.80 H new ATOM 664 N VAL A 44 59.623 -0.488 -5.094 1.00 0.75 N ATOM 665 CA VAL A 44 61.052 -0.194 -5.395 1.00 0.68 C ATOM 666 C VAL A 44 61.855 -1.496 -5.405 1.00 0.68 C ATOM 667 O VAL A 44 62.793 -1.656 -6.160 1.00 0.76 O ATOM 668 CB VAL A 44 61.525 0.712 -4.257 1.00 0.72 C ATOM 669 CG1 VAL A 44 63.008 1.035 -4.449 1.00 1.10 C ATOM 670 CG2 VAL A 44 60.715 2.010 -4.265 1.00 1.70 C ATOM 0 H VAL A 44 59.321 -0.251 -4.149 1.00 0.75 H new ATOM 0 HA VAL A 44 61.182 0.279 -6.369 1.00 0.68 H new ATOM 0 HB VAL A 44 61.383 0.203 -3.304 1.00 0.72 H new ATOM 0 HG11 VAL A 44 63.348 1.681 -3.639 1.00 1.10 H new ATOM 0 HG12 VAL A 44 63.586 0.111 -4.443 1.00 1.10 H new ATOM 0 HG13 VAL A 44 63.149 1.544 -5.402 1.00 1.10 H new ATOM 0 HG21 VAL A 44 61.053 2.655 -3.454 1.00 1.70 H new ATOM 0 HG22 VAL A 44 60.856 2.521 -5.217 1.00 1.70 H new ATOM 0 HG23 VAL A 44 59.658 1.780 -4.130 1.00 1.70 H new ATOM 680 N MET A 45 61.486 -2.428 -4.570 1.00 0.79 N ATOM 681 CA MET A 45 62.218 -3.724 -4.524 1.00 0.99 C ATOM 682 C MET A 45 61.889 -4.556 -5.766 1.00 1.03 C ATOM 683 O MET A 45 62.633 -5.436 -6.152 1.00 1.16 O ATOM 684 CB MET A 45 61.710 -4.416 -3.259 1.00 1.26 C ATOM 685 CG MET A 45 62.566 -3.992 -2.064 1.00 1.54 C ATOM 686 SD MET A 45 63.953 -5.140 -1.878 1.00 2.11 S ATOM 687 CE MET A 45 65.233 -4.067 -2.573 1.00 1.74 C ATOM 0 H MET A 45 60.707 -2.347 -3.916 1.00 0.79 H new ATOM 0 HA MET A 45 63.300 -3.593 -4.509 1.00 0.99 H new ATOM 0 HB2 MET A 45 60.667 -4.154 -3.083 1.00 1.26 H new ATOM 0 HB3 MET A 45 61.751 -5.498 -3.383 1.00 1.26 H new ATOM 0 HG2 MET A 45 62.937 -2.978 -2.210 1.00 1.54 H new ATOM 0 HG3 MET A 45 61.963 -3.983 -1.156 1.00 1.54 H new ATOM 0 HE1 MET A 45 66.211 -4.390 -2.217 1.00 1.74 H new ATOM 0 HE2 MET A 45 65.205 -4.125 -3.661 1.00 1.74 H new ATOM 0 HE3 MET A 45 65.055 -3.038 -2.260 1.00 1.74 H new ATOM 697 N ARG A 46 60.778 -4.282 -6.396 1.00 1.05 N ATOM 698 CA ARG A 46 60.402 -5.055 -7.615 1.00 1.22 C ATOM 699 C ARG A 46 61.250 -4.602 -8.806 1.00 1.26 C ATOM 700 O ARG A 46 61.829 -5.406 -9.510 1.00 1.51 O ATOM 701 CB ARG A 46 58.926 -4.728 -7.853 1.00 1.28 C ATOM 702 CG ARG A 46 58.115 -5.085 -6.606 1.00 1.46 C ATOM 703 CD ARG A 46 57.434 -6.440 -6.811 1.00 1.98 C ATOM 704 NE ARG A 46 56.107 -6.116 -7.408 1.00 2.34 N ATOM 705 CZ ARG A 46 55.012 -6.389 -6.753 1.00 2.82 C ATOM 706 NH1 ARG A 46 54.959 -7.439 -5.980 1.00 3.34 N ATOM 707 NH2 ARG A 46 53.969 -5.612 -6.871 1.00 3.26 N ATOM 0 H ARG A 46 60.115 -3.557 -6.120 1.00 1.05 H new ATOM 0 HA ARG A 46 60.567 -6.126 -7.494 1.00 1.22 H new ATOM 0 HB2 ARG A 46 58.810 -3.669 -8.084 1.00 1.28 H new ATOM 0 HB3 ARG A 46 58.554 -5.284 -8.713 1.00 1.28 H new ATOM 0 HG2 ARG A 46 58.767 -5.122 -5.733 1.00 1.46 H new ATOM 0 HG3 ARG A 46 57.367 -4.316 -6.413 1.00 1.46 H new ATOM 0 HD2 ARG A 46 58.019 -7.080 -7.472 1.00 1.98 H new ATOM 0 HD3 ARG A 46 57.323 -6.973 -5.867 1.00 1.98 H new ATOM 0 HE ARG A 46 56.055 -5.681 -8.329 1.00 2.34 H new ATOM 0 HH11 ARG A 46 55.773 -8.046 -5.888 1.00 3.34 H new ATOM 0 HH12 ARG A 46 54.103 -7.653 -5.468 1.00 3.34 H new ATOM 0 HH21 ARG A 46 54.010 -4.791 -7.475 1.00 3.26 H new ATOM 0 HH22 ARG A 46 53.113 -5.826 -6.359 1.00 3.26 H new ATOM 721 N MET A 47 61.330 -3.320 -9.034 1.00 1.11 N ATOM 722 CA MET A 47 62.142 -2.815 -10.177 1.00 1.26 C ATOM 723 C MET A 47 63.520 -3.484 -10.183 1.00 1.19 C ATOM 724 O MET A 47 64.000 -3.929 -11.207 1.00 1.31 O ATOM 725 CB MET A 47 62.276 -1.311 -9.931 1.00 1.28 C ATOM 726 CG MET A 47 60.939 -0.623 -10.221 1.00 1.46 C ATOM 727 SD MET A 47 61.162 0.602 -11.536 1.00 1.99 S ATOM 728 CE MET A 47 62.473 1.560 -10.738 1.00 2.19 C ATOM 0 H MET A 47 60.868 -2.600 -8.478 1.00 1.11 H new ATOM 0 HA MET A 47 61.681 -3.031 -11.141 1.00 1.26 H new ATOM 0 HB2 MET A 47 62.576 -1.126 -8.899 1.00 1.28 H new ATOM 0 HB3 MET A 47 63.056 -0.896 -10.569 1.00 1.28 H new ATOM 0 HG2 MET A 47 60.195 -1.362 -10.520 1.00 1.46 H new ATOM 0 HG3 MET A 47 60.564 -0.140 -9.319 1.00 1.46 H new ATOM 0 HE1 MET A 47 62.109 2.564 -10.521 1.00 2.19 H new ATOM 0 HE2 MET A 47 62.766 1.072 -9.809 1.00 2.19 H new ATOM 0 HE3 MET A 47 63.334 1.622 -11.403 1.00 2.19 H new ATOM 738 N LEU A 48 64.158 -3.559 -9.047 1.00 1.09 N ATOM 739 CA LEU A 48 65.504 -4.200 -8.986 1.00 1.18 C ATOM 740 C LEU A 48 65.385 -5.710 -9.202 1.00 1.51 C ATOM 741 O LEU A 48 66.255 -6.336 -9.775 1.00 1.89 O ATOM 742 CB LEU A 48 66.021 -3.899 -7.579 1.00 1.18 C ATOM 743 CG LEU A 48 66.029 -2.387 -7.350 1.00 1.35 C ATOM 744 CD1 LEU A 48 66.697 -2.077 -6.010 1.00 2.05 C ATOM 745 CD2 LEU A 48 66.809 -1.707 -8.478 1.00 1.70 C ATOM 0 H LEU A 48 63.806 -3.204 -8.158 1.00 1.09 H new ATOM 0 HA LEU A 48 66.175 -3.823 -9.758 1.00 1.18 H new ATOM 0 HB2 LEU A 48 65.390 -4.386 -6.836 1.00 1.18 H new ATOM 0 HB3 LEU A 48 67.027 -4.301 -7.456 1.00 1.18 H new ATOM 0 HG LEU A 48 65.004 -2.015 -7.339 1.00 1.35 H new ATOM 0 HD11 LEU A 48 66.703 -0.999 -5.847 1.00 2.05 H new ATOM 0 HD12 LEU A 48 66.143 -2.563 -5.206 1.00 2.05 H new ATOM 0 HD13 LEU A 48 67.722 -2.448 -6.020 1.00 2.05 H new ATOM 0 HD21 LEU A 48 66.816 -0.629 -8.317 1.00 1.70 H new ATOM 0 HD22 LEU A 48 67.833 -2.079 -8.488 1.00 1.70 H new ATOM 0 HD23 LEU A 48 66.334 -1.928 -9.434 1.00 1.70 H new ATOM 757 N GLY A 49 64.315 -6.302 -8.745 1.00 1.56 N ATOM 758 CA GLY A 49 64.143 -7.773 -8.924 1.00 1.97 C ATOM 759 C GLY A 49 63.909 -8.432 -7.563 1.00 1.69 C ATOM 760 O GLY A 49 64.259 -9.576 -7.348 1.00 1.87 O ATOM 0 H GLY A 49 63.553 -5.832 -8.256 1.00 1.56 H new ATOM 0 HA2 GLY A 49 63.300 -7.973 -9.586 1.00 1.97 H new ATOM 0 HA3 GLY A 49 65.028 -8.198 -9.398 1.00 1.97 H new ATOM 764 N GLN A 50 63.318 -7.720 -6.641 1.00 1.38 N ATOM 765 CA GLN A 50 63.062 -8.309 -5.295 1.00 1.26 C ATOM 766 C GLN A 50 61.556 -8.376 -5.027 1.00 1.19 C ATOM 767 O GLN A 50 60.778 -7.655 -5.619 1.00 1.25 O ATOM 768 CB GLN A 50 63.740 -7.356 -4.309 1.00 1.39 C ATOM 769 CG GLN A 50 65.196 -7.136 -4.729 1.00 1.69 C ATOM 770 CD GLN A 50 66.058 -8.283 -4.201 1.00 2.12 C ATOM 771 OE1 GLN A 50 65.582 -9.388 -4.030 1.00 2.58 O ATOM 772 NE2 GLN A 50 67.317 -8.068 -3.931 1.00 2.76 N ATOM 0 H GLN A 50 63.002 -6.758 -6.761 1.00 1.38 H new ATOM 0 HA GLN A 50 63.447 -9.325 -5.208 1.00 1.26 H new ATOM 0 HB2 GLN A 50 63.210 -6.404 -4.284 1.00 1.39 H new ATOM 0 HB3 GLN A 50 63.700 -7.769 -3.301 1.00 1.39 H new ATOM 0 HG2 GLN A 50 65.268 -7.083 -5.815 1.00 1.69 H new ATOM 0 HG3 GLN A 50 65.559 -6.185 -4.339 1.00 1.69 H new ATOM 0 HE21 GLN A 50 67.718 -7.141 -4.074 1.00 2.76 H new ATOM 0 HE22 GLN A 50 67.900 -8.827 -3.577 1.00 2.76 H new ATOM 781 N ASN A 51 61.137 -9.236 -4.139 1.00 1.22 N ATOM 782 CA ASN A 51 59.681 -9.343 -3.838 1.00 1.29 C ATOM 783 C ASN A 51 59.458 -9.492 -2.331 1.00 1.25 C ATOM 784 O ASN A 51 58.927 -10.487 -1.878 1.00 1.41 O ATOM 785 CB ASN A 51 59.213 -10.598 -4.575 1.00 1.54 C ATOM 786 CG ASN A 51 59.904 -11.827 -3.982 1.00 1.88 C ATOM 787 OD1 ASN A 51 61.001 -11.733 -3.470 1.00 2.25 O ATOM 788 ND2 ASN A 51 59.306 -12.986 -4.032 1.00 2.57 N ATOM 0 H ASN A 51 61.738 -9.868 -3.610 1.00 1.22 H new ATOM 0 HA ASN A 51 59.131 -8.456 -4.153 1.00 1.29 H new ATOM 0 HB2 ASN A 51 58.131 -10.700 -4.490 1.00 1.54 H new ATOM 0 HB3 ASN A 51 59.443 -10.516 -5.637 1.00 1.54 H new ATOM 0 HD21 ASN A 51 59.760 -13.811 -3.641 1.00 2.57 H new ATOM 0 HD22 ASN A 51 58.384 -13.066 -4.462 1.00 2.57 H new ATOM 795 N PRO A 52 59.871 -8.491 -1.604 1.00 1.15 N ATOM 796 CA PRO A 52 59.710 -8.505 -0.131 1.00 1.20 C ATOM 797 C PRO A 52 58.244 -8.272 0.238 1.00 1.33 C ATOM 798 O PRO A 52 57.446 -7.864 -0.582 1.00 1.45 O ATOM 799 CB PRO A 52 60.580 -7.342 0.336 1.00 1.19 C ATOM 800 CG PRO A 52 60.654 -6.417 -0.838 1.00 1.20 C ATOM 801 CD PRO A 52 60.518 -7.263 -2.078 1.00 1.14 C ATOM 0 HA PRO A 52 59.996 -9.452 0.327 1.00 1.20 H new ATOM 0 HB2 PRO A 52 60.143 -6.846 1.203 1.00 1.19 H new ATOM 0 HB3 PRO A 52 61.572 -7.685 0.631 1.00 1.19 H new ATOM 0 HG2 PRO A 52 59.860 -5.671 -0.791 1.00 1.20 H new ATOM 0 HG3 PRO A 52 61.600 -5.876 -0.843 1.00 1.20 H new ATOM 0 HD2 PRO A 52 59.917 -6.763 -2.838 1.00 1.14 H new ATOM 0 HD3 PRO A 52 61.489 -7.472 -2.527 1.00 1.14 H new ATOM 809 N THR A 53 57.882 -8.519 1.465 1.00 1.39 N ATOM 810 CA THR A 53 56.467 -8.302 1.877 1.00 1.58 C ATOM 811 C THR A 53 56.287 -6.866 2.372 1.00 1.47 C ATOM 812 O THR A 53 57.250 -6.185 2.661 1.00 1.27 O ATOM 813 CB THR A 53 56.226 -9.298 3.013 1.00 1.77 C ATOM 814 OG1 THR A 53 57.444 -9.519 3.710 1.00 1.69 O ATOM 815 CG2 THR A 53 55.719 -10.621 2.437 1.00 1.97 C ATOM 0 H THR A 53 58.502 -8.861 2.199 1.00 1.39 H new ATOM 0 HA THR A 53 55.765 -8.450 1.056 1.00 1.58 H new ATOM 0 HB THR A 53 55.481 -8.895 3.699 1.00 1.77 H new ATOM 0 HG1 THR A 53 57.531 -10.472 3.922 1.00 1.69 H new ATOM 0 HG21 THR A 53 55.548 -11.329 3.248 1.00 1.97 H new ATOM 0 HG22 THR A 53 54.785 -10.450 1.901 1.00 1.97 H new ATOM 0 HG23 THR A 53 56.462 -11.028 1.751 1.00 1.97 H new ATOM 823 N PRO A 54 55.053 -6.452 2.456 1.00 1.64 N ATOM 824 CA PRO A 54 54.744 -5.080 2.926 1.00 1.63 C ATOM 825 C PRO A 54 55.048 -4.955 4.421 1.00 1.55 C ATOM 826 O PRO A 54 55.288 -3.878 4.930 1.00 1.47 O ATOM 827 CB PRO A 54 53.250 -4.934 2.648 1.00 1.92 C ATOM 828 CG PRO A 54 52.723 -6.333 2.631 1.00 2.08 C ATOM 829 CD PRO A 54 53.840 -7.212 2.131 1.00 1.93 C ATOM 0 HA PRO A 54 55.334 -4.308 2.433 1.00 1.63 H new ATOM 0 HB2 PRO A 54 52.761 -4.337 3.418 1.00 1.92 H new ATOM 0 HB3 PRO A 54 53.072 -4.433 1.696 1.00 1.92 H new ATOM 0 HG2 PRO A 54 52.407 -6.639 3.628 1.00 2.08 H new ATOM 0 HG3 PRO A 54 51.850 -6.410 1.982 1.00 2.08 H new ATOM 0 HD2 PRO A 54 53.834 -8.185 2.622 1.00 1.93 H new ATOM 0 HD3 PRO A 54 53.757 -7.395 1.060 1.00 1.93 H new ATOM 837 N GLU A 55 55.050 -6.055 5.125 1.00 1.61 N ATOM 838 CA GLU A 55 55.349 -6.006 6.585 1.00 1.58 C ATOM 839 C GLU A 55 56.864 -6.016 6.811 1.00 1.42 C ATOM 840 O GLU A 55 57.393 -5.237 7.579 1.00 1.36 O ATOM 841 CB GLU A 55 54.712 -7.271 7.161 1.00 1.74 C ATOM 842 CG GLU A 55 54.550 -7.119 8.674 1.00 2.16 C ATOM 843 CD GLU A 55 53.129 -7.516 9.078 1.00 2.56 C ATOM 844 OE1 GLU A 55 52.857 -8.704 9.124 1.00 2.83 O ATOM 845 OE2 GLU A 55 52.336 -6.624 9.332 1.00 3.10 O ATOM 0 H GLU A 55 54.858 -6.985 4.752 1.00 1.61 H new ATOM 0 HA GLU A 55 54.962 -5.104 7.059 1.00 1.58 H new ATOM 0 HB2 GLU A 55 53.741 -7.446 6.697 1.00 1.74 H new ATOM 0 HB3 GLU A 55 55.333 -8.138 6.937 1.00 1.74 H new ATOM 0 HG2 GLU A 55 55.275 -7.746 9.193 1.00 2.16 H new ATOM 0 HG3 GLU A 55 54.749 -6.089 8.970 1.00 2.16 H new ATOM 852 N GLU A 56 57.564 -6.895 6.146 1.00 1.38 N ATOM 853 CA GLU A 56 59.044 -6.961 6.321 1.00 1.26 C ATOM 854 C GLU A 56 59.680 -5.607 5.995 1.00 1.14 C ATOM 855 O GLU A 56 60.580 -5.155 6.673 1.00 1.07 O ATOM 856 CB GLU A 56 59.511 -8.022 5.325 1.00 1.32 C ATOM 857 CG GLU A 56 59.689 -9.359 6.047 1.00 2.10 C ATOM 858 CD GLU A 56 60.028 -10.449 5.028 1.00 2.79 C ATOM 859 OE1 GLU A 56 60.659 -10.127 4.035 1.00 3.40 O ATOM 860 OE2 GLU A 56 59.651 -11.586 5.258 1.00 3.18 O ATOM 0 H GLU A 56 57.175 -7.571 5.489 1.00 1.38 H new ATOM 0 HA GLU A 56 59.327 -7.205 7.345 1.00 1.26 H new ATOM 0 HB2 GLU A 56 58.783 -8.126 4.520 1.00 1.32 H new ATOM 0 HB3 GLU A 56 60.452 -7.716 4.867 1.00 1.32 H new ATOM 0 HG2 GLU A 56 60.483 -9.281 6.789 1.00 2.10 H new ATOM 0 HG3 GLU A 56 58.776 -9.619 6.583 1.00 2.10 H new ATOM 867 N LEU A 57 59.220 -4.959 4.959 1.00 1.17 N ATOM 868 CA LEU A 57 59.802 -3.636 4.588 1.00 1.13 C ATOM 869 C LEU A 57 60.027 -2.783 5.840 1.00 1.06 C ATOM 870 O LEU A 57 61.130 -2.360 6.123 1.00 1.02 O ATOM 871 CB LEU A 57 58.760 -2.987 3.677 1.00 1.24 C ATOM 872 CG LEU A 57 59.367 -2.760 2.292 1.00 1.41 C ATOM 873 CD1 LEU A 57 59.805 -4.101 1.699 1.00 1.93 C ATOM 874 CD2 LEU A 57 58.319 -2.116 1.379 1.00 1.87 C ATOM 0 H LEU A 57 58.467 -5.287 4.354 1.00 1.17 H new ATOM 0 HA LEU A 57 60.770 -3.735 4.096 1.00 1.13 H new ATOM 0 HB2 LEU A 57 57.880 -3.625 3.600 1.00 1.24 H new ATOM 0 HB3 LEU A 57 58.430 -2.039 4.101 1.00 1.24 H new ATOM 0 HG LEU A 57 60.232 -2.102 2.377 1.00 1.41 H new ATOM 0 HD11 LEU A 57 60.238 -3.938 0.712 1.00 1.93 H new ATOM 0 HD12 LEU A 57 60.549 -4.561 2.350 1.00 1.93 H new ATOM 0 HD13 LEU A 57 58.941 -4.760 1.613 1.00 1.93 H new ATOM 0 HD21 LEU A 57 58.749 -1.953 0.391 1.00 1.87 H new ATOM 0 HD22 LEU A 57 57.455 -2.775 1.295 1.00 1.87 H new ATOM 0 HD23 LEU A 57 58.006 -1.161 1.801 1.00 1.87 H new ATOM 886 N GLN A 58 58.992 -2.528 6.592 1.00 1.09 N ATOM 887 CA GLN A 58 59.151 -1.703 7.824 1.00 1.08 C ATOM 888 C GLN A 58 60.157 -2.361 8.772 1.00 1.04 C ATOM 889 O GLN A 58 60.684 -1.733 9.669 1.00 1.05 O ATOM 890 CB GLN A 58 57.759 -1.663 8.457 1.00 1.15 C ATOM 891 CG GLN A 58 57.793 -0.791 9.716 1.00 1.39 C ATOM 892 CD GLN A 58 58.514 0.523 9.411 1.00 1.62 C ATOM 893 OE1 GLN A 58 57.910 1.465 8.937 1.00 2.20 O ATOM 894 NE2 GLN A 58 59.790 0.629 9.666 1.00 1.88 N ATOM 0 H GLN A 58 58.044 -2.855 6.407 1.00 1.09 H new ATOM 0 HA GLN A 58 59.527 -0.703 7.608 1.00 1.08 H new ATOM 0 HB2 GLN A 58 57.036 -1.264 7.745 1.00 1.15 H new ATOM 0 HB3 GLN A 58 57.434 -2.672 8.710 1.00 1.15 H new ATOM 0 HG2 GLN A 58 56.778 -0.590 10.059 1.00 1.39 H new ATOM 0 HG3 GLN A 58 58.303 -1.319 10.522 1.00 1.39 H new ATOM 0 HE21 GLN A 58 60.298 -0.161 10.064 1.00 1.88 H new ATOM 0 HE22 GLN A 58 60.279 1.502 9.467 1.00 1.88 H new ATOM 903 N GLU A 59 60.427 -3.623 8.578 1.00 1.07 N ATOM 904 CA GLU A 59 61.401 -4.325 9.463 1.00 1.09 C ATOM 905 C GLU A 59 62.833 -4.062 8.990 1.00 1.07 C ATOM 906 O GLU A 59 63.710 -3.753 9.773 1.00 1.08 O ATOM 907 CB GLU A 59 61.055 -5.807 9.331 1.00 1.17 C ATOM 908 CG GLU A 59 61.468 -6.542 10.606 1.00 1.28 C ATOM 909 CD GLU A 59 60.415 -7.596 10.955 1.00 1.84 C ATOM 910 OE1 GLU A 59 59.895 -8.210 10.037 1.00 2.18 O ATOM 911 OE2 GLU A 59 60.147 -7.770 12.132 1.00 2.48 O ATOM 0 H GLU A 59 60.015 -4.199 7.844 1.00 1.07 H new ATOM 0 HA GLU A 59 61.343 -3.983 10.496 1.00 1.09 H new ATOM 0 HB2 GLU A 59 59.985 -5.928 9.159 1.00 1.17 H new ATOM 0 HB3 GLU A 59 61.567 -6.236 8.469 1.00 1.17 H new ATOM 0 HG2 GLU A 59 62.439 -7.016 10.466 1.00 1.28 H new ATOM 0 HG3 GLU A 59 61.575 -5.834 11.428 1.00 1.28 H new ATOM 918 N MET A 60 63.079 -4.188 7.714 1.00 1.08 N ATOM 919 CA MET A 60 64.455 -3.948 7.192 1.00 1.09 C ATOM 920 C MET A 60 64.789 -2.456 7.245 1.00 1.10 C ATOM 921 O MET A 60 65.916 -2.054 7.038 1.00 1.47 O ATOM 922 CB MET A 60 64.419 -4.439 5.744 1.00 1.09 C ATOM 923 CG MET A 60 64.880 -5.896 5.685 1.00 1.42 C ATOM 924 SD MET A 60 66.615 -6.001 6.190 1.00 1.89 S ATOM 925 CE MET A 60 67.342 -5.536 4.600 1.00 1.71 C ATOM 0 H MET A 60 62.387 -4.447 7.011 1.00 1.08 H new ATOM 0 HA MET A 60 65.215 -4.463 7.779 1.00 1.09 H new ATOM 0 HB2 MET A 60 63.409 -4.350 5.344 1.00 1.09 H new ATOM 0 HB3 MET A 60 65.064 -3.818 5.122 1.00 1.09 H new ATOM 0 HG2 MET A 60 64.262 -6.511 6.339 1.00 1.42 H new ATOM 0 HG3 MET A 60 64.760 -6.286 4.674 1.00 1.42 H new ATOM 0 HE1 MET A 60 67.963 -6.352 4.231 1.00 1.71 H new ATOM 0 HE2 MET A 60 66.547 -5.332 3.882 1.00 1.71 H new ATOM 0 HE3 MET A 60 67.954 -4.643 4.727 1.00 1.71 H new ATOM 935 N ILE A 61 63.817 -1.631 7.520 1.00 0.91 N ATOM 936 CA ILE A 61 64.081 -0.165 7.585 1.00 0.95 C ATOM 937 C ILE A 61 64.322 0.269 9.034 1.00 0.94 C ATOM 938 O ILE A 61 65.375 0.770 9.373 1.00 1.06 O ATOM 939 CB ILE A 61 62.813 0.490 7.034 1.00 1.03 C ATOM 940 CG1 ILE A 61 62.688 0.176 5.541 1.00 1.35 C ATOM 941 CG2 ILE A 61 62.893 2.004 7.232 1.00 1.55 C ATOM 942 CD1 ILE A 61 61.332 0.666 5.028 1.00 1.56 C ATOM 0 H ILE A 61 62.852 -1.907 7.702 1.00 0.91 H new ATOM 0 HA ILE A 61 64.968 0.119 7.018 1.00 0.95 H new ATOM 0 HB ILE A 61 61.943 0.101 7.563 1.00 1.03 H new ATOM 0 HG12 ILE A 61 63.494 0.659 4.988 1.00 1.35 H new ATOM 0 HG13 ILE A 61 62.786 -0.897 5.375 1.00 1.35 H new ATOM 0 HG21 ILE A 61 61.990 2.471 6.839 1.00 1.55 H new ATOM 0 HG22 ILE A 61 62.984 2.228 8.295 1.00 1.55 H new ATOM 0 HG23 ILE A 61 63.762 2.395 6.703 1.00 1.55 H new ATOM 0 HD11 ILE A 61 61.243 0.443 3.965 1.00 1.56 H new ATOM 0 HD12 ILE A 61 60.533 0.163 5.573 1.00 1.56 H new ATOM 0 HD13 ILE A 61 61.253 1.742 5.180 1.00 1.56 H new ATOM 954 N ASP A 62 63.355 0.080 9.890 1.00 1.09 N ATOM 955 CA ASP A 62 63.529 0.484 11.315 1.00 1.09 C ATOM 956 C ASP A 62 64.779 -0.172 11.909 1.00 1.11 C ATOM 957 O ASP A 62 65.282 0.248 12.932 1.00 1.24 O ATOM 958 CB ASP A 62 62.272 -0.019 12.025 1.00 1.22 C ATOM 959 CG ASP A 62 61.504 1.170 12.606 1.00 1.40 C ATOM 960 OD1 ASP A 62 62.149 2.108 13.045 1.00 1.87 O ATOM 961 OD2 ASP A 62 60.285 1.121 12.603 1.00 1.91 O ATOM 0 H ASP A 62 62.452 -0.337 9.664 1.00 1.09 H new ATOM 0 HA ASP A 62 63.658 1.561 11.423 1.00 1.09 H new ATOM 0 HB2 ASP A 62 61.641 -0.567 11.325 1.00 1.22 H new ATOM 0 HB3 ASP A 62 62.544 -0.714 12.820 1.00 1.22 H new ATOM 966 N GLU A 63 65.280 -1.201 11.283 1.00 1.18 N ATOM 967 CA GLU A 63 66.492 -1.882 11.821 1.00 1.31 C ATOM 968 C GLU A 63 67.761 -1.132 11.405 1.00 1.18 C ATOM 969 O GLU A 63 68.782 -1.213 12.057 1.00 1.41 O ATOM 970 CB GLU A 63 66.471 -3.280 11.204 1.00 1.50 C ATOM 971 CG GLU A 63 66.022 -4.295 12.256 1.00 1.93 C ATOM 972 CD GLU A 63 67.127 -5.331 12.470 1.00 1.91 C ATOM 973 OE1 GLU A 63 67.753 -5.712 11.494 1.00 2.33 O ATOM 974 OE2 GLU A 63 67.329 -5.726 13.607 1.00 2.24 O ATOM 0 H GLU A 63 64.903 -1.600 10.423 1.00 1.18 H new ATOM 0 HA GLU A 63 66.490 -1.915 12.910 1.00 1.31 H new ATOM 0 HB2 GLU A 63 65.794 -3.302 10.350 1.00 1.50 H new ATOM 0 HB3 GLU A 63 67.462 -3.540 10.832 1.00 1.50 H new ATOM 0 HG2 GLU A 63 65.798 -3.787 13.194 1.00 1.93 H new ATOM 0 HG3 GLU A 63 65.105 -4.787 11.933 1.00 1.93 H new ATOM 981 N VAL A 64 67.708 -0.404 10.323 1.00 0.93 N ATOM 982 CA VAL A 64 68.919 0.343 9.874 1.00 0.92 C ATOM 983 C VAL A 64 68.704 1.852 10.030 1.00 0.95 C ATOM 984 O VAL A 64 69.643 2.614 10.147 1.00 1.37 O ATOM 985 CB VAL A 64 69.095 -0.037 8.402 1.00 0.91 C ATOM 986 CG1 VAL A 64 68.118 0.760 7.534 1.00 1.66 C ATOM 987 CG2 VAL A 64 70.529 0.272 7.967 1.00 1.51 C ATOM 0 H VAL A 64 66.884 -0.294 9.733 1.00 0.93 H new ATOM 0 HA VAL A 64 69.801 0.094 10.463 1.00 0.92 H new ATOM 0 HB VAL A 64 68.893 -1.101 8.281 1.00 0.91 H new ATOM 0 HG11 VAL A 64 68.251 0.483 6.488 1.00 1.66 H new ATOM 0 HG12 VAL A 64 67.096 0.540 7.841 1.00 1.66 H new ATOM 0 HG13 VAL A 64 68.311 1.826 7.654 1.00 1.66 H new ATOM 0 HG21 VAL A 64 70.657 0.002 6.919 1.00 1.51 H new ATOM 0 HG22 VAL A 64 70.727 1.336 8.095 1.00 1.51 H new ATOM 0 HG23 VAL A 64 71.226 -0.302 8.577 1.00 1.51 H new ATOM 997 N ASP A 65 67.474 2.291 10.033 1.00 0.96 N ATOM 998 CA ASP A 65 67.206 3.750 10.183 1.00 1.02 C ATOM 999 C ASP A 65 67.736 4.251 11.529 1.00 1.06 C ATOM 1000 O ASP A 65 67.201 3.936 12.574 1.00 1.22 O ATOM 1001 CB ASP A 65 65.683 3.883 10.123 1.00 1.24 C ATOM 1002 CG ASP A 65 65.308 5.057 9.217 1.00 1.68 C ATOM 1003 OD1 ASP A 65 65.979 5.244 8.216 1.00 2.50 O ATOM 1004 OD2 ASP A 65 64.358 5.750 9.541 1.00 1.96 O ATOM 0 H ASP A 65 66.645 1.704 9.938 1.00 0.96 H new ATOM 0 HA ASP A 65 67.697 4.340 9.409 1.00 1.02 H new ATOM 0 HB2 ASP A 65 65.242 2.962 9.743 1.00 1.24 H new ATOM 0 HB3 ASP A 65 65.281 4.040 11.124 1.00 1.24 H new ATOM 1009 N GLU A 66 68.785 5.027 11.513 1.00 1.15 N ATOM 1010 CA GLU A 66 69.348 5.546 12.792 1.00 1.37 C ATOM 1011 C GLU A 66 68.820 6.956 13.068 1.00 1.34 C ATOM 1012 O GLU A 66 68.623 7.347 14.201 1.00 1.62 O ATOM 1013 CB GLU A 66 70.863 5.572 12.578 1.00 1.74 C ATOM 1014 CG GLU A 66 71.569 5.666 13.932 1.00 1.95 C ATOM 1015 CD GLU A 66 72.869 4.861 13.888 1.00 2.73 C ATOM 1016 OE1 GLU A 66 72.838 3.751 13.382 1.00 3.39 O ATOM 1017 OE2 GLU A 66 73.873 5.368 14.359 1.00 3.12 O ATOM 0 H GLU A 66 69.276 5.324 10.670 1.00 1.15 H new ATOM 0 HA GLU A 66 69.069 4.929 13.646 1.00 1.37 H new ATOM 0 HB2 GLU A 66 71.182 4.672 12.052 1.00 1.74 H new ATOM 0 HB3 GLU A 66 71.138 6.422 11.953 1.00 1.74 H new ATOM 0 HG2 GLU A 66 71.782 6.708 14.171 1.00 1.95 H new ATOM 0 HG3 GLU A 66 70.919 5.285 14.720 1.00 1.95 H new ATOM 1024 N ASP A 67 68.587 7.723 12.038 1.00 1.42 N ATOM 1025 CA ASP A 67 68.069 9.106 12.242 1.00 1.67 C ATOM 1026 C ASP A 67 66.602 9.060 12.680 1.00 1.70 C ATOM 1027 O ASP A 67 66.020 10.063 13.042 1.00 2.12 O ATOM 1028 CB ASP A 67 68.204 9.786 10.879 1.00 2.50 C ATOM 1029 CG ASP A 67 67.405 9.002 9.837 1.00 3.17 C ATOM 1030 OD1 ASP A 67 66.275 8.648 10.130 1.00 3.83 O ATOM 1031 OD2 ASP A 67 67.936 8.769 8.764 1.00 3.45 O ATOM 0 H ASP A 67 68.733 7.452 11.065 1.00 1.42 H new ATOM 0 HA ASP A 67 68.615 9.642 13.018 1.00 1.67 H new ATOM 0 HB2 ASP A 67 67.841 10.812 10.935 1.00 2.50 H new ATOM 0 HB3 ASP A 67 69.253 9.835 10.587 1.00 2.50 H new ATOM 1036 N GLY A 68 66.001 7.902 12.649 1.00 1.77 N ATOM 1037 CA GLY A 68 64.574 7.789 13.063 1.00 2.43 C ATOM 1038 C GLY A 68 63.725 8.758 12.238 1.00 2.01 C ATOM 1039 O GLY A 68 62.833 9.408 12.748 1.00 2.65 O ATOM 0 H GLY A 68 66.437 7.028 12.354 1.00 1.77 H new ATOM 0 HA2 GLY A 68 64.222 6.767 12.919 1.00 2.43 H new ATOM 0 HA3 GLY A 68 64.473 8.014 14.125 1.00 2.43 H new ATOM 1043 N SER A 69 63.994 8.860 10.965 1.00 1.59 N ATOM 1044 CA SER A 69 63.202 9.787 10.108 1.00 1.99 C ATOM 1045 C SER A 69 62.006 9.052 9.496 1.00 1.42 C ATOM 1046 O SER A 69 60.952 9.623 9.293 1.00 1.97 O ATOM 1047 CB SER A 69 64.169 10.239 9.014 1.00 2.89 C ATOM 1048 OG SER A 69 64.446 9.145 8.150 1.00 3.53 O ATOM 0 H SER A 69 64.728 8.342 10.482 1.00 1.59 H new ATOM 0 HA SER A 69 62.802 10.629 10.672 1.00 1.99 H new ATOM 0 HB2 SER A 69 63.736 11.064 8.448 1.00 2.89 H new ATOM 0 HB3 SER A 69 65.093 10.609 9.459 1.00 2.89 H new ATOM 0 HG SER A 69 64.133 9.355 7.245 1.00 3.53 H new ATOM 1054 N GLY A 70 62.159 7.791 9.201 1.00 1.23 N ATOM 1055 CA GLY A 70 61.031 7.023 8.603 1.00 1.51 C ATOM 1056 C GLY A 70 61.254 6.869 7.096 1.00 1.28 C ATOM 1057 O GLY A 70 60.439 6.304 6.394 1.00 1.42 O ATOM 0 H GLY A 70 63.017 7.259 9.348 1.00 1.23 H new ATOM 0 HA2 GLY A 70 60.957 6.042 9.072 1.00 1.51 H new ATOM 0 HA3 GLY A 70 60.088 7.537 8.790 1.00 1.51 H new ATOM 1061 N THR A 71 62.350 7.368 6.593 1.00 1.12 N ATOM 1062 CA THR A 71 62.622 7.249 5.131 1.00 0.98 C ATOM 1063 C THR A 71 63.962 6.549 4.897 1.00 0.88 C ATOM 1064 O THR A 71 64.819 6.524 5.759 1.00 0.92 O ATOM 1065 CB THR A 71 62.675 8.689 4.618 1.00 1.11 C ATOM 1066 OG1 THR A 71 63.202 9.532 5.632 1.00 1.83 O ATOM 1067 CG2 THR A 71 61.265 9.153 4.245 1.00 1.34 C ATOM 0 H THR A 71 63.069 7.853 7.130 1.00 1.12 H new ATOM 0 HA THR A 71 61.862 6.660 4.618 1.00 0.98 H new ATOM 0 HB THR A 71 63.315 8.738 3.737 1.00 1.11 H new ATOM 0 HG1 THR A 71 63.238 10.455 5.304 1.00 1.83 H new ATOM 0 HG21 THR A 71 61.304 10.179 3.880 1.00 1.34 H new ATOM 0 HG22 THR A 71 60.863 8.506 3.466 1.00 1.34 H new ATOM 0 HG23 THR A 71 60.622 9.105 5.124 1.00 1.34 H new ATOM 1075 N VAL A 72 64.151 5.978 3.739 1.00 0.83 N ATOM 1076 CA VAL A 72 65.437 5.279 3.452 1.00 0.76 C ATOM 1077 C VAL A 72 66.284 6.114 2.488 1.00 0.68 C ATOM 1078 O VAL A 72 66.061 6.119 1.294 1.00 0.72 O ATOM 1079 CB VAL A 72 65.045 3.947 2.801 1.00 0.79 C ATOM 1080 CG1 VAL A 72 66.191 2.952 2.962 1.00 0.87 C ATOM 1081 CG2 VAL A 72 63.789 3.385 3.476 1.00 1.02 C ATOM 0 H VAL A 72 63.471 5.965 2.979 1.00 0.83 H new ATOM 0 HA VAL A 72 66.028 5.127 4.355 1.00 0.76 H new ATOM 0 HB VAL A 72 64.841 4.111 1.743 1.00 0.79 H new ATOM 0 HG11 VAL A 72 65.917 2.003 2.501 1.00 0.87 H new ATOM 0 HG12 VAL A 72 67.085 3.346 2.479 1.00 0.87 H new ATOM 0 HG13 VAL A 72 66.391 2.795 4.022 1.00 0.87 H new ATOM 0 HG21 VAL A 72 63.517 2.439 3.008 1.00 1.02 H new ATOM 0 HG22 VAL A 72 63.987 3.222 4.535 1.00 1.02 H new ATOM 0 HG23 VAL A 72 62.968 4.094 3.365 1.00 1.02 H new ATOM 1091 N ASP A 73 67.254 6.822 2.998 1.00 0.72 N ATOM 1092 CA ASP A 73 68.114 7.657 2.112 1.00 0.76 C ATOM 1093 C ASP A 73 69.319 6.844 1.630 1.00 0.83 C ATOM 1094 O ASP A 73 69.597 5.773 2.130 1.00 1.49 O ATOM 1095 CB ASP A 73 68.570 8.826 2.987 1.00 0.98 C ATOM 1096 CG ASP A 73 67.495 9.915 2.985 1.00 1.30 C ATOM 1097 OD1 ASP A 73 67.501 10.724 2.071 1.00 1.89 O ATOM 1098 OD2 ASP A 73 66.684 9.922 3.897 1.00 1.99 O ATOM 0 H ASP A 73 67.488 6.859 3.990 1.00 0.72 H new ATOM 0 HA ASP A 73 67.584 7.998 1.223 1.00 0.76 H new ATOM 0 HB2 ASP A 73 68.753 8.482 4.005 1.00 0.98 H new ATOM 0 HB3 ASP A 73 69.511 9.229 2.613 1.00 0.98 H new ATOM 1103 N PHE A 74 70.035 7.344 0.661 1.00 0.67 N ATOM 1104 CA PHE A 74 71.221 6.598 0.149 1.00 0.64 C ATOM 1105 C PHE A 74 72.075 6.100 1.317 1.00 0.73 C ATOM 1106 O PHE A 74 72.797 5.129 1.201 1.00 0.87 O ATOM 1107 CB PHE A 74 71.999 7.613 -0.688 1.00 0.79 C ATOM 1108 CG PHE A 74 72.803 6.886 -1.740 1.00 0.86 C ATOM 1109 CD1 PHE A 74 72.201 5.885 -2.512 1.00 1.68 C ATOM 1110 CD2 PHE A 74 74.149 7.213 -1.944 1.00 1.33 C ATOM 1111 CE1 PHE A 74 72.945 5.210 -3.486 1.00 1.78 C ATOM 1112 CE2 PHE A 74 74.893 6.538 -2.919 1.00 1.45 C ATOM 1113 CZ PHE A 74 74.291 5.536 -3.690 1.00 1.20 C ATOM 0 H PHE A 74 69.851 8.236 0.201 1.00 0.67 H new ATOM 0 HA PHE A 74 70.937 5.722 -0.435 1.00 0.64 H new ATOM 0 HB2 PHE A 74 71.311 8.314 -1.161 1.00 0.79 H new ATOM 0 HB3 PHE A 74 72.661 8.197 -0.048 1.00 0.79 H new ATOM 0 HD1 PHE A 74 71.162 5.634 -2.356 1.00 1.68 H new ATOM 0 HD2 PHE A 74 74.613 7.986 -1.349 1.00 1.33 H new ATOM 0 HE1 PHE A 74 72.481 4.437 -4.081 1.00 1.78 H new ATOM 0 HE2 PHE A 74 75.931 6.790 -3.077 1.00 1.45 H new ATOM 0 HZ PHE A 74 74.865 5.015 -4.442 1.00 1.20 H new ATOM 1123 N ASP A 75 71.999 6.756 2.443 1.00 0.94 N ATOM 1124 CA ASP A 75 72.807 6.319 3.617 1.00 1.11 C ATOM 1125 C ASP A 75 72.235 5.023 4.197 1.00 0.90 C ATOM 1126 O ASP A 75 72.902 4.009 4.251 1.00 0.94 O ATOM 1127 CB ASP A 75 72.686 7.460 4.628 1.00 1.45 C ATOM 1128 CG ASP A 75 74.020 8.204 4.717 1.00 2.16 C ATOM 1129 OD1 ASP A 75 74.974 7.614 5.198 1.00 2.78 O ATOM 1130 OD2 ASP A 75 74.065 9.351 4.304 1.00 2.66 O ATOM 0 H ASP A 75 71.412 7.575 2.601 1.00 0.94 H new ATOM 0 HA ASP A 75 73.845 6.118 3.354 1.00 1.11 H new ATOM 0 HB2 ASP A 75 71.894 8.146 4.326 1.00 1.45 H new ATOM 0 HB3 ASP A 75 72.411 7.066 5.606 1.00 1.45 H new ATOM 1135 N GLU A 76 71.004 5.046 4.629 1.00 0.81 N ATOM 1136 CA GLU A 76 70.392 3.815 5.203 1.00 0.76 C ATOM 1137 C GLU A 76 69.951 2.871 4.080 1.00 0.62 C ATOM 1138 O GLU A 76 69.969 1.665 4.227 1.00 0.61 O ATOM 1139 CB GLU A 76 69.181 4.306 5.998 1.00 0.93 C ATOM 1140 CG GLU A 76 69.632 5.353 7.019 1.00 1.09 C ATOM 1141 CD GLU A 76 68.498 6.348 7.268 1.00 1.59 C ATOM 1142 OE1 GLU A 76 68.118 7.030 6.330 1.00 1.93 O ATOM 1143 OE2 GLU A 76 68.027 6.411 8.393 1.00 2.25 O ATOM 0 H GLU A 76 70.396 5.864 4.609 1.00 0.81 H new ATOM 0 HA GLU A 76 71.091 3.260 5.829 1.00 0.76 H new ATOM 0 HB2 GLU A 76 68.440 4.735 5.324 1.00 0.93 H new ATOM 0 HB3 GLU A 76 68.703 3.469 6.506 1.00 0.93 H new ATOM 0 HG2 GLU A 76 69.915 4.867 7.953 1.00 1.09 H new ATOM 0 HG3 GLU A 76 70.515 5.877 6.652 1.00 1.09 H new ATOM 1150 N PHE A 77 69.556 3.410 2.960 1.00 0.59 N ATOM 1151 CA PHE A 77 69.114 2.543 1.830 1.00 0.57 C ATOM 1152 C PHE A 77 70.225 1.559 1.449 1.00 0.59 C ATOM 1153 O PHE A 77 69.966 0.451 1.022 1.00 0.71 O ATOM 1154 CB PHE A 77 68.832 3.505 0.677 1.00 0.62 C ATOM 1155 CG PHE A 77 68.118 2.767 -0.429 1.00 0.72 C ATOM 1156 CD1 PHE A 77 66.734 2.566 -0.354 1.00 1.42 C ATOM 1157 CD2 PHE A 77 68.837 2.282 -1.526 1.00 1.51 C ATOM 1158 CE1 PHE A 77 66.071 1.879 -1.377 1.00 1.60 C ATOM 1159 CE2 PHE A 77 68.174 1.594 -2.550 1.00 1.76 C ATOM 1160 CZ PHE A 77 66.791 1.393 -2.476 1.00 1.37 C ATOM 0 H PHE A 77 69.520 4.413 2.778 1.00 0.59 H new ATOM 0 HA PHE A 77 68.238 1.948 2.087 1.00 0.57 H new ATOM 0 HB2 PHE A 77 68.222 4.339 1.025 1.00 0.62 H new ATOM 0 HB3 PHE A 77 69.765 3.927 0.304 1.00 0.62 H new ATOM 0 HD1 PHE A 77 66.179 2.941 0.493 1.00 1.42 H new ATOM 0 HD2 PHE A 77 69.904 2.438 -1.584 1.00 1.51 H new ATOM 0 HE1 PHE A 77 65.004 1.723 -1.319 1.00 1.60 H new ATOM 0 HE2 PHE A 77 68.730 1.219 -3.397 1.00 1.76 H new ATOM 0 HZ PHE A 77 66.279 0.863 -3.266 1.00 1.37 H new ATOM 1170 N LEU A 78 71.459 1.955 1.598 1.00 0.57 N ATOM 1171 CA LEU A 78 72.584 1.042 1.242 1.00 0.62 C ATOM 1172 C LEU A 78 72.700 -0.085 2.272 1.00 0.61 C ATOM 1173 O LEU A 78 72.587 -1.249 1.946 1.00 0.68 O ATOM 1174 CB LEU A 78 73.834 1.922 1.268 1.00 0.66 C ATOM 1175 CG LEU A 78 74.186 2.353 -0.157 1.00 0.73 C ATOM 1176 CD1 LEU A 78 75.478 3.172 -0.139 1.00 1.10 C ATOM 1177 CD2 LEU A 78 74.383 1.111 -1.029 1.00 1.34 C ATOM 0 H LEU A 78 71.738 2.871 1.951 1.00 0.57 H new ATOM 0 HA LEU A 78 72.438 0.570 0.271 1.00 0.62 H new ATOM 0 HB2 LEU A 78 73.661 2.799 1.892 1.00 0.66 H new ATOM 0 HB3 LEU A 78 74.667 1.375 1.710 1.00 0.66 H new ATOM 0 HG LEU A 78 73.377 2.960 -0.563 1.00 0.73 H new ATOM 0 HD11 LEU A 78 75.728 3.479 -1.154 1.00 1.10 H new ATOM 0 HD12 LEU A 78 75.340 4.056 0.484 1.00 1.10 H new ATOM 0 HD13 LEU A 78 76.288 2.565 0.267 1.00 1.10 H new ATOM 0 HD21 LEU A 78 74.634 1.416 -2.045 1.00 1.34 H new ATOM 0 HD22 LEU A 78 75.192 0.505 -0.622 1.00 1.34 H new ATOM 0 HD23 LEU A 78 73.463 0.526 -1.042 1.00 1.34 H new ATOM 1189 N VAL A 79 72.926 0.253 3.513 1.00 0.64 N ATOM 1190 CA VAL A 79 73.052 -0.800 4.563 1.00 0.68 C ATOM 1191 C VAL A 79 71.908 -1.810 4.443 1.00 0.78 C ATOM 1192 O VAL A 79 72.119 -3.006 4.480 1.00 0.92 O ATOM 1193 CB VAL A 79 72.966 -0.045 5.890 1.00 0.73 C ATOM 1194 CG1 VAL A 79 72.978 -1.044 7.048 1.00 1.15 C ATOM 1195 CG2 VAL A 79 74.166 0.896 6.018 1.00 0.91 C ATOM 0 H VAL A 79 73.029 1.212 3.845 1.00 0.64 H new ATOM 0 HA VAL A 79 73.980 -1.364 4.473 1.00 0.68 H new ATOM 0 HB VAL A 79 72.043 0.534 5.919 1.00 0.73 H new ATOM 0 HG11 VAL A 79 72.917 -0.506 7.994 1.00 1.15 H new ATOM 0 HG12 VAL A 79 72.125 -1.716 6.957 1.00 1.15 H new ATOM 0 HG13 VAL A 79 73.901 -1.623 7.019 1.00 1.15 H new ATOM 0 HG21 VAL A 79 74.106 1.435 6.963 1.00 0.91 H new ATOM 0 HG22 VAL A 79 75.088 0.316 5.989 1.00 0.91 H new ATOM 0 HG23 VAL A 79 74.159 1.608 5.193 1.00 0.91 H new ATOM 1205 N MET A 80 70.698 -1.343 4.293 1.00 0.82 N ATOM 1206 CA MET A 80 69.554 -2.289 4.167 1.00 0.93 C ATOM 1207 C MET A 80 69.823 -3.282 3.033 1.00 0.92 C ATOM 1208 O MET A 80 69.755 -4.481 3.214 1.00 0.99 O ATOM 1209 CB MET A 80 68.344 -1.413 3.841 1.00 1.04 C ATOM 1210 CG MET A 80 67.218 -1.708 4.834 1.00 1.05 C ATOM 1211 SD MET A 80 65.750 -0.750 4.383 1.00 1.64 S ATOM 1212 CE MET A 80 65.367 -1.632 2.850 1.00 1.27 C ATOM 0 H MET A 80 70.454 -0.354 4.252 1.00 0.82 H new ATOM 0 HA MET A 80 69.395 -2.873 5.074 1.00 0.93 H new ATOM 0 HB2 MET A 80 68.620 -0.360 3.891 1.00 1.04 H new ATOM 0 HB3 MET A 80 68.005 -1.606 2.823 1.00 1.04 H new ATOM 0 HG2 MET A 80 66.986 -2.773 4.831 1.00 1.05 H new ATOM 0 HG3 MET A 80 67.535 -1.454 5.846 1.00 1.05 H new ATOM 0 HE1 MET A 80 64.296 -1.826 2.800 1.00 1.27 H new ATOM 0 HE2 MET A 80 65.666 -1.024 1.996 1.00 1.27 H new ATOM 0 HE3 MET A 80 65.908 -2.578 2.829 1.00 1.27 H new ATOM 1222 N MET A 81 70.137 -2.789 1.864 1.00 0.86 N ATOM 1223 CA MET A 81 70.419 -3.704 0.721 1.00 0.88 C ATOM 1224 C MET A 81 71.511 -4.706 1.108 1.00 0.90 C ATOM 1225 O MET A 81 71.287 -5.897 1.158 1.00 1.04 O ATOM 1226 CB MET A 81 70.903 -2.790 -0.405 1.00 0.86 C ATOM 1227 CG MET A 81 69.729 -2.448 -1.323 1.00 0.97 C ATOM 1228 SD MET A 81 69.444 -3.814 -2.475 1.00 1.31 S ATOM 1229 CE MET A 81 68.063 -3.065 -3.371 1.00 0.93 C ATOM 0 H MET A 81 70.210 -1.794 1.652 1.00 0.86 H new ATOM 0 HA MET A 81 69.544 -4.284 0.427 1.00 0.88 H new ATOM 0 HB2 MET A 81 71.331 -1.878 0.011 1.00 0.86 H new ATOM 0 HB3 MET A 81 71.692 -3.282 -0.974 1.00 0.86 H new ATOM 0 HG2 MET A 81 68.832 -2.265 -0.731 1.00 0.97 H new ATOM 0 HG3 MET A 81 69.940 -1.532 -1.874 1.00 0.97 H new ATOM 0 HE1 MET A 81 67.508 -3.841 -3.898 1.00 0.93 H new ATOM 0 HE2 MET A 81 67.402 -2.562 -2.666 1.00 0.93 H new ATOM 0 HE3 MET A 81 68.446 -2.340 -4.090 1.00 0.93 H new ATOM 1239 N VAL A 82 72.694 -4.228 1.382 1.00 0.81 N ATOM 1240 CA VAL A 82 73.800 -5.149 1.764 1.00 0.87 C ATOM 1241 C VAL A 82 73.351 -6.080 2.894 1.00 0.93 C ATOM 1242 O VAL A 82 73.931 -7.124 3.120 1.00 1.06 O ATOM 1243 CB VAL A 82 74.927 -4.234 2.243 1.00 0.86 C ATOM 1244 CG1 VAL A 82 74.417 -3.344 3.377 1.00 1.12 C ATOM 1245 CG2 VAL A 82 76.093 -5.082 2.752 1.00 1.38 C ATOM 0 H VAL A 82 72.942 -3.239 1.358 1.00 0.81 H new ATOM 0 HA VAL A 82 74.112 -5.784 0.935 1.00 0.87 H new ATOM 0 HB VAL A 82 75.263 -3.612 1.414 1.00 0.86 H new ATOM 0 HG11 VAL A 82 75.221 -2.692 3.718 1.00 1.12 H new ATOM 0 HG12 VAL A 82 73.586 -2.737 3.018 1.00 1.12 H new ATOM 0 HG13 VAL A 82 74.080 -3.967 4.205 1.00 1.12 H new ATOM 0 HG21 VAL A 82 76.896 -4.429 3.093 1.00 1.38 H new ATOM 0 HG22 VAL A 82 75.755 -5.705 3.580 1.00 1.38 H new ATOM 0 HG23 VAL A 82 76.460 -5.717 1.946 1.00 1.38 H new ATOM 1255 N ARG A 83 72.324 -5.710 3.610 1.00 0.92 N ATOM 1256 CA ARG A 83 71.844 -6.572 4.728 1.00 1.06 C ATOM 1257 C ARG A 83 70.865 -7.632 4.212 1.00 1.17 C ATOM 1258 O ARG A 83 70.769 -8.715 4.753 1.00 1.35 O ATOM 1259 CB ARG A 83 71.141 -5.616 5.691 1.00 1.12 C ATOM 1260 CG ARG A 83 72.163 -5.034 6.669 1.00 1.21 C ATOM 1261 CD ARG A 83 71.437 -4.469 7.892 1.00 1.42 C ATOM 1262 NE ARG A 83 72.130 -5.075 9.064 1.00 1.54 N ATOM 1263 CZ ARG A 83 71.443 -5.444 10.110 1.00 1.90 C ATOM 1264 NH1 ARG A 83 70.260 -4.936 10.328 1.00 1.93 N ATOM 1265 NH2 ARG A 83 71.939 -6.321 10.939 1.00 2.73 N ATOM 0 H ARG A 83 71.797 -4.848 3.469 1.00 0.92 H new ATOM 0 HA ARG A 83 72.661 -7.110 5.208 1.00 1.06 H new ATOM 0 HB2 ARG A 83 70.656 -4.814 5.135 1.00 1.12 H new ATOM 0 HB3 ARG A 83 70.359 -6.143 6.237 1.00 1.12 H new ATOM 0 HG2 ARG A 83 72.868 -5.806 6.976 1.00 1.21 H new ATOM 0 HG3 ARG A 83 72.742 -4.249 6.182 1.00 1.21 H new ATOM 0 HD2 ARG A 83 71.495 -3.381 7.918 1.00 1.42 H new ATOM 0 HD3 ARG A 83 70.379 -4.731 7.880 1.00 1.42 H new ATOM 0 HE ARG A 83 73.142 -5.201 9.048 1.00 1.54 H new ATOM 0 HH11 ARG A 83 69.872 -4.250 9.680 1.00 1.93 H new ATOM 0 HH12 ARG A 83 69.724 -5.225 11.146 1.00 1.93 H new ATOM 0 HH21 ARG A 83 72.863 -6.718 10.769 1.00 2.73 H new ATOM 0 HH22 ARG A 83 71.403 -6.610 11.757 1.00 2.73 H new ATOM 1279 N CYS A 84 70.134 -7.332 3.172 1.00 1.21 N ATOM 1280 CA CYS A 84 69.163 -8.331 2.636 1.00 1.46 C ATOM 1281 C CYS A 84 69.887 -9.366 1.769 1.00 1.52 C ATOM 1282 O CYS A 84 69.510 -10.520 1.720 1.00 1.97 O ATOM 1283 CB CYS A 84 68.169 -7.518 1.801 1.00 1.72 C ATOM 1284 SG CYS A 84 68.948 -6.995 0.252 1.00 2.58 S ATOM 0 H CYS A 84 70.166 -6.443 2.672 1.00 1.21 H new ATOM 0 HA CYS A 84 68.662 -8.885 3.430 1.00 1.46 H new ATOM 0 HB2 CYS A 84 67.284 -8.117 1.589 1.00 1.72 H new ATOM 0 HB3 CYS A 84 67.836 -6.646 2.363 1.00 1.72 H new ATOM 0 HG CYS A 84 70.147 -6.556 0.496 1.00 2.58 H new ATOM 1290 N MET A 85 70.925 -8.965 1.086 1.00 1.31 N ATOM 1291 CA MET A 85 71.668 -9.931 0.226 1.00 1.51 C ATOM 1292 C MET A 85 72.839 -10.539 1.002 1.00 1.66 C ATOM 1293 O MET A 85 73.562 -11.377 0.500 1.00 2.46 O ATOM 1294 CB MET A 85 72.178 -9.106 -0.955 1.00 1.47 C ATOM 1295 CG MET A 85 73.053 -7.963 -0.441 1.00 1.57 C ATOM 1296 SD MET A 85 74.100 -7.352 -1.785 1.00 1.89 S ATOM 1297 CE MET A 85 73.257 -5.769 -2.027 1.00 1.57 C ATOM 0 H MET A 85 71.290 -8.013 1.086 1.00 1.31 H new ATOM 0 HA MET A 85 71.039 -10.759 -0.100 1.00 1.51 H new ATOM 0 HB2 MET A 85 72.750 -9.739 -1.634 1.00 1.47 H new ATOM 0 HB3 MET A 85 71.338 -8.707 -1.523 1.00 1.47 H new ATOM 0 HG2 MET A 85 72.428 -7.157 -0.058 1.00 1.57 H new ATOM 0 HG3 MET A 85 73.671 -8.309 0.387 1.00 1.57 H new ATOM 0 HE1 MET A 85 73.589 -5.319 -2.963 1.00 1.57 H new ATOM 0 HE2 MET A 85 72.180 -5.932 -2.065 1.00 1.57 H new ATOM 0 HE3 MET A 85 73.493 -5.101 -1.199 1.00 1.57 H new