USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 523 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 18 CYS SG : rot 180:sc= 0.785 USER MOD Set 1.2: A 65 TYR OH : rot 21:sc= 0.417 USER MOD Set 2.1: A 33 ASN : amide:sc= 0.982 K(o=2.2,f=-1.1) USER MOD Set 2.2: A 34 GLN : amide:sc= 1.21 K(o=2.2,f=-0.0029) USER MOD Single : A 4 THR OG1 : rot 38:sc= 0.24 USER MOD Single : A 6 TYR OH : rot 180:sc= -0.0944 USER MOD Single : A 7 SER OG : rot 100:sc= 0.9 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -56:sc= 0.683 USER MOD Single : A 13 MET CE :methyl -127:sc= -0.427 (180deg=-1.31) USER MOD Single : A 15 CYS SG : rot 46:sc= 0.145 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 1.47 K(o=1.5,f=-5!) USER MOD Single : A 28 GLN : amide:sc= -0.0417 X(o=-0.042,f=-0.18) USER MOD Single : A 36 GLN : amide:sc= 1.69 K(o=1.7,f=-4.2!) USER MOD Single : A 41 THR OG1 : rot -150:sc=-0.00177 USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= 0.0661 (180deg=-1.18) USER MOD Single : A 50 ASN : amide:sc= -0.771 X(o=-0.77,f=-0.52) USER MOD Single : A 55 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.37) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 1.12 K(o=1.1,f=-0.12) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.797 K(o=0.8,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 4 -5.038 3.932 -12.223 1.00 0.64 N ATOM 20 CA THR A 4 -5.559 2.605 -11.949 1.00 0.51 C ATOM 21 C THR A 4 -5.432 2.323 -10.469 1.00 0.52 C ATOM 22 O THR A 4 -4.474 2.760 -9.830 1.00 0.64 O ATOM 23 CB THR A 4 -4.837 1.562 -12.803 1.00 0.51 C ATOM 24 OG1 THR A 4 -4.972 1.966 -14.138 1.00 0.95 O ATOM 25 CG2 THR A 4 -5.469 0.173 -12.681 1.00 0.79 C ATOM 0 HA THR A 4 -6.614 2.552 -12.216 1.00 0.51 H new ATOM 0 HB THR A 4 -3.801 1.495 -12.471 1.00 0.51 H new ATOM 0 HG1 THR A 4 -4.900 2.942 -14.193 1.00 0.95 H new ATOM 0 HG21 THR A 4 -4.921 -0.532 -13.306 1.00 0.79 H new ATOM 0 HG22 THR A 4 -5.429 -0.155 -11.642 1.00 0.79 H new ATOM 0 HG23 THR A 4 -6.508 0.216 -13.008 1.00 0.79 H new ATOM 33 N ARG A 5 -6.420 1.591 -9.960 1.00 0.46 N ATOM 34 CA ARG A 5 -6.578 1.294 -8.564 1.00 0.45 C ATOM 35 C ARG A 5 -5.975 -0.071 -8.307 1.00 0.45 C ATOM 36 O ARG A 5 -6.513 -1.080 -8.752 1.00 0.81 O ATOM 37 CB ARG A 5 -8.072 1.248 -8.251 1.00 0.54 C ATOM 38 CG ARG A 5 -8.233 0.831 -6.792 1.00 0.71 C ATOM 39 CD ARG A 5 -9.685 0.579 -6.436 1.00 1.00 C ATOM 40 NE ARG A 5 -10.261 1.761 -5.769 1.00 1.58 N ATOM 41 CZ ARG A 5 -11.436 1.769 -5.126 1.00 2.41 C ATOM 42 NH1 ARG A 5 -12.267 0.729 -5.284 1.00 2.70 N ATOM 43 NH2 ARG A 5 -11.765 2.791 -4.325 1.00 3.56 N ATOM 0 H ARG A 5 -7.151 1.180 -10.540 1.00 0.46 H new ATOM 0 HA ARG A 5 -6.090 2.046 -7.944 1.00 0.45 H new ATOM 0 HB2 ARG A 5 -8.528 2.223 -8.422 1.00 0.54 H new ATOM 0 HB3 ARG A 5 -8.578 0.541 -8.908 1.00 0.54 H new ATOM 0 HG2 ARG A 5 -7.651 -0.072 -6.605 1.00 0.71 H new ATOM 0 HG3 ARG A 5 -7.830 1.610 -6.145 1.00 0.71 H new ATOM 0 HD2 ARG A 5 -10.253 0.349 -7.338 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -9.761 -0.289 -5.781 1.00 1.00 H new ATOM 0 HE ARG A 5 -9.729 2.631 -5.799 1.00 1.58 H new ATOM 0 HH11 ARG A 5 -12.000 -0.050 -5.886 1.00 2.70 H new ATOM 0 HH12 ARG A 5 -13.166 0.717 -4.803 1.00 2.70 H new ATOM 0 HH21 ARG A 5 -11.119 3.570 -4.201 1.00 3.56 H new ATOM 0 HH22 ARG A 5 -12.662 2.790 -3.839 1.00 3.56 H new ATOM 57 N TYR A 6 -4.897 -0.103 -7.541 1.00 0.31 N ATOM 58 CA TYR A 6 -4.303 -1.341 -7.063 1.00 0.31 C ATOM 59 C TYR A 6 -4.686 -1.654 -5.632 1.00 0.31 C ATOM 60 O TYR A 6 -4.445 -0.821 -4.764 1.00 0.50 O ATOM 61 CB TYR A 6 -2.807 -1.281 -7.290 1.00 0.32 C ATOM 62 CG TYR A 6 -2.489 -0.919 -8.716 1.00 0.36 C ATOM 63 CD1 TYR A 6 -3.133 -1.625 -9.747 1.00 1.75 C ATOM 64 CD2 TYR A 6 -1.736 0.226 -9.016 1.00 1.61 C ATOM 65 CE1 TYR A 6 -2.945 -1.256 -11.080 1.00 1.86 C ATOM 66 CE2 TYR A 6 -1.535 0.581 -10.357 1.00 1.58 C ATOM 67 CZ TYR A 6 -2.071 -0.203 -11.391 1.00 0.68 C ATOM 68 OH TYR A 6 -1.790 0.097 -12.690 1.00 0.93 O ATOM 0 H TYR A 6 -4.406 0.735 -7.231 1.00 0.31 H new ATOM 0 HA TYR A 6 -4.703 -2.179 -7.634 1.00 0.31 H new ATOM 0 HB2 TYR A 6 -2.363 -0.547 -6.618 1.00 0.32 H new ATOM 0 HB3 TYR A 6 -2.360 -2.245 -7.048 1.00 0.32 H new ATOM 0 HD1 TYR A 6 -3.777 -2.458 -9.506 1.00 1.75 H new ATOM 0 HD2 TYR A 6 -1.316 0.827 -8.223 1.00 1.61 H new ATOM 0 HE1 TYR A 6 -3.469 -1.778 -11.867 1.00 1.86 H new ATOM 0 HE2 TYR A 6 -0.963 1.465 -10.597 1.00 1.58 H new ATOM 0 HH TYR A 6 -1.168 0.854 -12.724 1.00 0.93 H new ATOM 78 N SER A 7 -5.265 -2.843 -5.398 1.00 0.23 N ATOM 79 CA SER A 7 -5.642 -3.319 -4.076 1.00 0.26 C ATOM 80 C SER A 7 -4.569 -4.283 -3.557 1.00 0.25 C ATOM 81 O SER A 7 -3.993 -5.027 -4.349 1.00 0.27 O ATOM 82 CB SER A 7 -7.007 -4.017 -4.124 1.00 0.34 C ATOM 83 OG SER A 7 -7.835 -3.448 -5.119 1.00 1.90 O ATOM 0 H SER A 7 -5.484 -3.505 -6.142 1.00 0.23 H new ATOM 0 HA SER A 7 -5.720 -2.468 -3.400 1.00 0.26 H new ATOM 0 HB2 SER A 7 -6.869 -5.079 -4.325 1.00 0.34 H new ATOM 0 HB3 SER A 7 -7.494 -3.937 -3.152 1.00 0.34 H new ATOM 0 HG SER A 7 -7.812 -4.007 -5.923 1.00 1.90 H new ATOM 89 N TRP A 8 -4.300 -4.298 -2.248 1.00 0.26 N ATOM 90 CA TRP A 8 -3.579 -5.393 -1.608 1.00 0.28 C ATOM 91 C TRP A 8 -4.320 -5.853 -0.363 1.00 0.30 C ATOM 92 O TRP A 8 -5.017 -5.053 0.266 1.00 0.37 O ATOM 93 CB TRP A 8 -2.169 -5.032 -1.174 1.00 0.30 C ATOM 94 CG TRP A 8 -1.225 -4.434 -2.149 1.00 0.32 C ATOM 95 CD1 TRP A 8 -0.122 -4.993 -2.662 1.00 0.46 C ATOM 96 CD2 TRP A 8 -1.289 -3.167 -2.821 1.00 0.38 C ATOM 97 NE1 TRP A 8 0.665 -3.939 -3.141 1.00 0.83 N ATOM 98 CE2 TRP A 8 0.037 -2.702 -2.951 1.00 0.87 C ATOM 99 CE3 TRP A 8 -2.036 -2.748 -3.934 1.00 0.69 C ATOM 100 CZ2 TRP A 8 0.148 -1.442 -3.591 1.00 1.11 C ATOM 101 CZ3 TRP A 8 -1.273 -2.421 -5.101 1.00 0.67 C ATOM 102 CH2 TRP A 8 -0.254 -1.492 -4.911 1.00 0.48 C ATOM 0 H TRP A 8 -4.576 -3.553 -1.608 1.00 0.26 H new ATOM 0 HA TRP A 8 -3.518 -6.174 -2.366 1.00 0.28 H new ATOM 0 HB2 TRP A 8 -2.255 -4.338 -0.338 1.00 0.30 H new ATOM 0 HB3 TRP A 8 -1.706 -5.940 -0.789 1.00 0.30 H new ATOM 0 HD1 TRP A 8 0.114 -6.046 -2.699 1.00 0.46 H new ATOM 0 HE1 TRP A 8 1.581 -4.057 -3.574 1.00 0.83 H new ATOM 0 HE3 TRP A 8 -3.113 -2.677 -3.911 1.00 0.69 H new ATOM 0 HZ2 TRP A 8 0.505 -0.547 -3.103 1.00 1.11 H new ATOM 0 HZ3 TRP A 8 -1.475 -2.866 -6.064 1.00 0.67 H new ATOM 0 HH2 TRP A 8 0.169 -0.886 -5.698 1.00 0.48 H new ATOM 113 N LYS A 9 -4.048 -7.102 0.032 1.00 0.37 N ATOM 114 CA LYS A 9 -4.486 -7.701 1.278 1.00 0.40 C ATOM 115 C LYS A 9 -3.271 -7.708 2.199 1.00 0.44 C ATOM 116 O LYS A 9 -2.398 -8.552 2.018 1.00 0.59 O ATOM 117 CB LYS A 9 -4.994 -9.129 1.006 1.00 0.49 C ATOM 118 CG LYS A 9 -4.121 -9.944 0.024 1.00 1.86 C ATOM 119 CD LYS A 9 -4.669 -11.343 -0.261 1.00 1.77 C ATOM 120 CE LYS A 9 -4.857 -12.140 1.042 1.00 2.28 C ATOM 121 NZ LYS A 9 -5.184 -13.558 0.803 1.00 3.35 N ATOM 0 H LYS A 9 -3.494 -7.741 -0.538 1.00 0.37 H new ATOM 0 HA LYS A 9 -5.305 -7.148 1.738 1.00 0.40 H new ATOM 0 HB2 LYS A 9 -5.053 -9.667 1.952 1.00 0.49 H new ATOM 0 HB3 LYS A 9 -6.008 -9.071 0.609 1.00 0.49 H new ATOM 0 HG2 LYS A 9 -4.037 -9.397 -0.915 1.00 1.86 H new ATOM 0 HG3 LYS A 9 -3.114 -10.033 0.433 1.00 1.86 H new ATOM 0 HD2 LYS A 9 -5.622 -11.264 -0.784 1.00 1.77 H new ATOM 0 HD3 LYS A 9 -3.986 -11.877 -0.922 1.00 1.77 H new ATOM 0 HE2 LYS A 9 -3.945 -12.077 1.636 1.00 2.28 H new ATOM 0 HE3 LYS A 9 -5.652 -11.683 1.631 1.00 2.28 H new ATOM 0 HZ1 LYS A 9 -5.299 -14.046 1.714 1.00 3.35 H new ATOM 0 HZ2 LYS A 9 -6.069 -13.624 0.261 1.00 3.35 H new ATOM 0 HZ3 LYS A 9 -4.415 -14.006 0.265 1.00 3.35 H new ATOM 135 N VAL A 10 -3.164 -6.776 3.146 1.00 0.44 N ATOM 136 CA VAL A 10 -1.969 -6.663 3.971 1.00 0.53 C ATOM 137 C VAL A 10 -2.196 -7.414 5.286 1.00 0.63 C ATOM 138 O VAL A 10 -3.245 -8.024 5.482 1.00 1.30 O ATOM 139 CB VAL A 10 -1.589 -5.183 4.194 1.00 0.56 C ATOM 140 CG1 VAL A 10 -0.071 -5.012 4.106 1.00 1.04 C ATOM 141 CG2 VAL A 10 -2.166 -4.233 3.141 1.00 0.50 C ATOM 0 H VAL A 10 -3.890 -6.092 3.358 1.00 0.44 H new ATOM 0 HA VAL A 10 -1.122 -7.120 3.459 1.00 0.53 H new ATOM 0 HB VAL A 10 -1.996 -4.934 5.174 1.00 0.56 H new ATOM 0 HG11 VAL A 10 0.187 -3.965 4.265 1.00 1.04 H new ATOM 0 HG12 VAL A 10 0.409 -5.624 4.870 1.00 1.04 H new ATOM 0 HG13 VAL A 10 0.274 -5.325 3.121 1.00 1.04 H new ATOM 0 HG21 VAL A 10 -1.857 -3.212 3.364 1.00 0.50 H new ATOM 0 HG22 VAL A 10 -1.799 -4.517 2.155 1.00 0.50 H new ATOM 0 HG23 VAL A 10 -3.254 -4.293 3.154 1.00 0.50 H new ATOM 151 N SER A 11 -1.202 -7.413 6.178 1.00 0.53 N ATOM 152 CA SER A 11 -1.349 -7.977 7.507 1.00 0.56 C ATOM 153 C SER A 11 -0.324 -7.363 8.460 1.00 0.59 C ATOM 154 O SER A 11 0.879 -7.501 8.246 1.00 0.89 O ATOM 155 CB SER A 11 -1.257 -9.507 7.443 1.00 0.64 C ATOM 156 OG SER A 11 -0.151 -9.937 6.673 1.00 2.91 O ATOM 0 H SER A 11 -0.279 -7.021 5.993 1.00 0.53 H new ATOM 0 HA SER A 11 -2.335 -7.732 7.903 1.00 0.56 H new ATOM 0 HB2 SER A 11 -1.174 -9.908 8.453 1.00 0.64 H new ATOM 0 HB3 SER A 11 -2.176 -9.908 7.015 1.00 0.64 H new ATOM 0 HG SER A 11 -0.205 -9.545 5.776 1.00 2.91 H new ATOM 162 N GLY A 12 -0.811 -6.692 9.507 1.00 0.43 N ATOM 163 CA GLY A 12 -0.035 -6.245 10.657 1.00 0.56 C ATOM 164 C GLY A 12 -0.252 -4.762 10.954 1.00 0.59 C ATOM 165 O GLY A 12 -0.018 -4.311 12.076 1.00 0.72 O ATOM 0 H GLY A 12 -1.796 -6.437 9.575 1.00 0.43 H new ATOM 0 HA2 GLY A 12 -0.311 -6.834 11.532 1.00 0.56 H new ATOM 0 HA3 GLY A 12 1.024 -6.426 10.472 1.00 0.56 H new ATOM 169 N MET A 13 -0.677 -3.990 9.954 1.00 0.55 N ATOM 170 CA MET A 13 -0.858 -2.560 10.099 1.00 0.61 C ATOM 171 C MET A 13 -2.235 -2.279 10.696 1.00 0.67 C ATOM 172 O MET A 13 -3.171 -2.010 9.958 1.00 1.13 O ATOM 173 CB MET A 13 -0.606 -1.842 8.759 1.00 0.84 C ATOM 174 CG MET A 13 -1.516 -2.256 7.591 1.00 1.23 C ATOM 175 SD MET A 13 -2.692 -0.991 7.032 1.00 1.47 S ATOM 176 CE MET A 13 -3.412 -1.862 5.632 1.00 1.88 C ATOM 0 H MET A 13 -0.903 -4.345 9.025 1.00 0.55 H new ATOM 0 HA MET A 13 -0.122 -2.155 10.794 1.00 0.61 H new ATOM 0 HB2 MET A 13 -0.717 -0.769 8.918 1.00 0.84 H new ATOM 0 HB3 MET A 13 0.429 -2.015 8.466 1.00 0.84 H new ATOM 0 HG2 MET A 13 -0.888 -2.542 6.747 1.00 1.23 H new ATOM 0 HG3 MET A 13 -2.076 -3.143 7.886 1.00 1.23 H new ATOM 0 HE1 MET A 13 -3.348 -1.236 4.742 1.00 1.88 H new ATOM 0 HE2 MET A 13 -2.867 -2.791 5.462 1.00 1.88 H new ATOM 0 HE3 MET A 13 -4.457 -2.088 5.842 1.00 1.88 H new ATOM 186 N ASP A 14 -2.344 -2.270 12.027 1.00 0.66 N ATOM 187 CA ASP A 14 -3.540 -1.775 12.707 1.00 0.85 C ATOM 188 C ASP A 14 -3.144 -0.989 13.958 1.00 0.84 C ATOM 189 O ASP A 14 -3.139 -1.524 15.064 1.00 1.16 O ATOM 190 CB ASP A 14 -4.501 -2.930 13.019 1.00 1.29 C ATOM 191 CG ASP A 14 -5.824 -2.419 13.579 1.00 2.03 C ATOM 192 OD1 ASP A 14 -6.293 -1.372 13.079 1.00 2.94 O ATOM 193 OD2 ASP A 14 -6.357 -3.089 14.488 1.00 2.71 O ATOM 0 H ASP A 14 -1.613 -2.602 12.656 1.00 0.66 H new ATOM 0 HA ASP A 14 -4.074 -1.091 12.048 1.00 0.85 H new ATOM 0 HB2 ASP A 14 -4.686 -3.506 12.112 1.00 1.29 H new ATOM 0 HB3 ASP A 14 -4.038 -3.607 13.737 1.00 1.29 H new ATOM 198 N CYS A 15 -2.750 0.280 13.783 1.00 0.67 N ATOM 199 CA CYS A 15 -2.461 1.198 14.887 1.00 0.73 C ATOM 200 C CYS A 15 -2.650 2.645 14.426 1.00 0.95 C ATOM 201 O CYS A 15 -3.739 3.194 14.558 1.00 2.34 O ATOM 202 CB CYS A 15 -1.057 0.946 15.474 1.00 0.73 C ATOM 203 SG CYS A 15 -1.165 -0.008 17.009 1.00 1.47 S ATOM 0 H CYS A 15 -2.623 0.699 12.862 1.00 0.67 H new ATOM 0 HA CYS A 15 -3.168 1.012 15.696 1.00 0.73 H new ATOM 0 HB2 CYS A 15 -0.446 0.409 14.749 1.00 0.73 H new ATOM 0 HB3 CYS A 15 -0.562 1.898 15.666 1.00 0.73 H new ATOM 0 HG CYS A 15 -1.981 -1.006 16.843 1.00 1.47 H new ATOM 209 N ALA A 16 -1.602 3.271 13.873 1.00 0.71 N ATOM 210 CA ALA A 16 -1.629 4.648 13.373 1.00 0.75 C ATOM 211 C ALA A 16 -0.313 4.959 12.658 1.00 0.99 C ATOM 212 O ALA A 16 -0.280 5.231 11.459 1.00 2.10 O ATOM 213 CB ALA A 16 -1.866 5.643 14.518 1.00 1.03 C ATOM 0 H ALA A 16 -0.693 2.822 13.759 1.00 0.71 H new ATOM 0 HA ALA A 16 -2.454 4.749 12.668 1.00 0.75 H new ATOM 0 HB1 ALA A 16 -1.882 6.658 14.121 1.00 1.03 H new ATOM 0 HB2 ALA A 16 -2.821 5.426 14.997 1.00 1.03 H new ATOM 0 HB3 ALA A 16 -1.064 5.553 15.251 1.00 1.03 H new ATOM 219 N ALA A 17 0.799 4.863 13.391 1.00 0.63 N ATOM 220 CA ALA A 17 2.133 5.056 12.833 1.00 0.62 C ATOM 221 C ALA A 17 2.374 4.129 11.635 1.00 0.47 C ATOM 222 O ALA A 17 3.074 4.493 10.689 1.00 0.55 O ATOM 223 CB ALA A 17 3.180 4.814 13.923 1.00 0.86 C ATOM 0 H ALA A 17 0.796 4.649 14.388 1.00 0.63 H new ATOM 0 HA ALA A 17 2.217 6.082 12.474 1.00 0.62 H new ATOM 0 HB1 ALA A 17 4.177 4.958 13.508 1.00 0.86 H new ATOM 0 HB2 ALA A 17 3.023 5.517 14.741 1.00 0.86 H new ATOM 0 HB3 ALA A 17 3.086 3.795 14.298 1.00 0.86 H new ATOM 229 N CYS A 18 1.779 2.934 11.667 1.00 0.38 N ATOM 230 CA CYS A 18 1.929 1.951 10.612 1.00 0.37 C ATOM 231 C CYS A 18 1.113 2.382 9.403 1.00 0.30 C ATOM 232 O CYS A 18 1.551 2.163 8.272 1.00 0.32 O ATOM 233 CB CYS A 18 1.517 0.561 11.111 1.00 0.48 C ATOM 234 SG CYS A 18 2.950 -0.236 11.876 1.00 1.87 S ATOM 0 H CYS A 18 1.179 2.628 12.433 1.00 0.38 H new ATOM 0 HA CYS A 18 2.976 1.888 10.315 1.00 0.37 H new ATOM 0 HB2 CYS A 18 0.703 0.645 11.831 1.00 0.48 H new ATOM 0 HB3 CYS A 18 1.148 -0.043 10.282 1.00 0.48 H new ATOM 0 HG CYS A 18 2.613 -1.416 12.305 1.00 1.87 H new ATOM 240 N ALA A 19 -0.034 3.033 9.641 1.00 0.35 N ATOM 241 CA ALA A 19 -0.830 3.619 8.578 1.00 0.42 C ATOM 242 C ALA A 19 0.020 4.645 7.841 1.00 0.39 C ATOM 243 O ALA A 19 0.074 4.658 6.612 1.00 0.46 O ATOM 244 CB ALA A 19 -2.121 4.270 9.099 1.00 0.56 C ATOM 0 H ALA A 19 -0.426 3.162 10.574 1.00 0.35 H new ATOM 0 HA ALA A 19 -1.137 2.821 7.902 1.00 0.42 H new ATOM 0 HB1 ALA A 19 -2.678 4.693 8.263 1.00 0.56 H new ATOM 0 HB2 ALA A 19 -2.731 3.518 9.599 1.00 0.56 H new ATOM 0 HB3 ALA A 19 -1.870 5.062 9.805 1.00 0.56 H new ATOM 250 N ARG A 20 0.725 5.492 8.598 1.00 0.34 N ATOM 251 CA ARG A 20 1.659 6.380 7.961 1.00 0.40 C ATOM 252 C ARG A 20 2.724 5.604 7.207 1.00 0.31 C ATOM 253 O ARG A 20 2.948 5.863 6.031 1.00 0.33 O ATOM 254 CB ARG A 20 2.247 7.430 8.882 1.00 0.50 C ATOM 255 CG ARG A 20 1.126 8.292 9.464 1.00 0.59 C ATOM 256 CD ARG A 20 1.693 9.603 10.011 1.00 1.36 C ATOM 257 NE ARG A 20 0.625 10.611 10.138 1.00 1.87 N ATOM 258 CZ ARG A 20 -0.346 10.611 11.065 1.00 1.80 C ATOM 259 NH1 ARG A 20 -0.307 9.726 12.066 1.00 2.36 N ATOM 260 NH2 ARG A 20 -1.353 11.488 10.981 1.00 2.57 N ATOM 0 H ARG A 20 0.661 5.570 9.613 1.00 0.34 H new ATOM 0 HA ARG A 20 1.082 6.952 7.234 1.00 0.40 H new ATOM 0 HB2 ARG A 20 2.805 6.951 9.686 1.00 0.50 H new ATOM 0 HB3 ARG A 20 2.952 8.055 8.334 1.00 0.50 H new ATOM 0 HG2 ARG A 20 0.383 8.502 8.695 1.00 0.59 H new ATOM 0 HG3 ARG A 20 0.616 7.749 10.259 1.00 0.59 H new ATOM 0 HD2 ARG A 20 2.155 9.429 10.983 1.00 1.36 H new ATOM 0 HD3 ARG A 20 2.475 9.973 9.348 1.00 1.36 H new ATOM 0 HE ARG A 20 0.624 11.375 9.463 1.00 1.87 H new ATOM 0 HH11 ARG A 20 0.458 9.054 12.123 1.00 2.36 H new ATOM 0 HH12 ARG A 20 -1.043 9.722 12.773 1.00 2.36 H new ATOM 0 HH21 ARG A 20 -1.383 12.157 10.212 1.00 2.57 H new ATOM 0 HH22 ARG A 20 -2.090 11.487 11.686 1.00 2.57 H new ATOM 274 N LYS A 21 3.392 4.650 7.847 1.00 0.27 N ATOM 275 CA LYS A 21 4.445 3.926 7.153 1.00 0.26 C ATOM 276 C LYS A 21 3.955 3.382 5.804 1.00 0.23 C ATOM 277 O LYS A 21 4.650 3.523 4.804 1.00 0.25 O ATOM 278 CB LYS A 21 5.019 2.823 8.040 1.00 0.33 C ATOM 279 CG LYS A 21 6.549 2.815 7.957 1.00 1.27 C ATOM 280 CD LYS A 21 7.170 3.721 9.034 1.00 1.29 C ATOM 281 CE LYS A 21 7.353 2.918 10.335 1.00 1.96 C ATOM 282 NZ LYS A 21 8.160 3.638 11.340 1.00 2.96 N ATOM 0 H LYS A 21 3.230 4.368 8.814 1.00 0.27 H new ATOM 0 HA LYS A 21 5.252 4.626 6.936 1.00 0.26 H new ATOM 0 HB2 LYS A 21 4.705 2.977 9.072 1.00 0.33 H new ATOM 0 HB3 LYS A 21 4.626 1.855 7.728 1.00 0.33 H new ATOM 0 HG2 LYS A 21 6.917 1.796 8.079 1.00 1.27 H new ATOM 0 HG3 LYS A 21 6.864 3.152 6.969 1.00 1.27 H new ATOM 0 HD2 LYS A 21 8.131 4.104 8.692 1.00 1.29 H new ATOM 0 HD3 LYS A 21 6.528 4.584 9.213 1.00 1.29 H new ATOM 0 HE2 LYS A 21 6.374 2.690 10.757 1.00 1.96 H new ATOM 0 HE3 LYS A 21 7.831 1.966 10.105 1.00 1.96 H new ATOM 0 HZ1 LYS A 21 8.252 3.053 12.195 1.00 2.96 H new ATOM 0 HZ2 LYS A 21 9.105 3.834 10.951 1.00 2.96 H new ATOM 0 HZ3 LYS A 21 7.693 4.535 11.583 1.00 2.96 H new ATOM 296 N VAL A 22 2.743 2.822 5.764 1.00 0.25 N ATOM 297 CA VAL A 22 2.100 2.397 4.531 1.00 0.30 C ATOM 298 C VAL A 22 1.991 3.542 3.524 1.00 0.30 C ATOM 299 O VAL A 22 2.522 3.441 2.422 1.00 0.36 O ATOM 300 CB VAL A 22 0.695 1.893 4.870 1.00 0.39 C ATOM 301 CG1 VAL A 22 -0.176 1.757 3.631 1.00 0.58 C ATOM 302 CG2 VAL A 22 0.729 0.508 5.523 1.00 0.43 C ATOM 0 H VAL A 22 2.180 2.652 6.598 1.00 0.25 H new ATOM 0 HA VAL A 22 2.704 1.611 4.078 1.00 0.30 H new ATOM 0 HB VAL A 22 0.284 2.637 5.553 1.00 0.39 H new ATOM 0 HG11 VAL A 22 -1.164 1.397 3.918 1.00 0.58 H new ATOM 0 HG12 VAL A 22 -0.271 2.728 3.145 1.00 0.58 H new ATOM 0 HG13 VAL A 22 0.282 1.049 2.940 1.00 0.58 H new ATOM 0 HG21 VAL A 22 -0.288 0.187 5.748 1.00 0.43 H new ATOM 0 HG22 VAL A 22 1.192 -0.205 4.841 1.00 0.43 H new ATOM 0 HG23 VAL A 22 1.307 0.555 6.446 1.00 0.43 H new ATOM 312 N GLU A 23 1.251 4.606 3.857 1.00 0.27 N ATOM 313 CA GLU A 23 0.945 5.636 2.868 1.00 0.31 C ATOM 314 C GLU A 23 2.271 6.204 2.369 1.00 0.26 C ATOM 315 O GLU A 23 2.512 6.346 1.179 1.00 0.28 O ATOM 316 CB GLU A 23 -0.002 6.726 3.409 1.00 0.39 C ATOM 317 CG GLU A 23 0.663 7.542 4.516 1.00 0.42 C ATOM 318 CD GLU A 23 -0.189 8.626 5.154 1.00 0.65 C ATOM 319 OE1 GLU A 23 -1.319 8.839 4.671 1.00 1.40 O ATOM 320 OE2 GLU A 23 0.352 9.252 6.096 1.00 1.97 O ATOM 0 H GLU A 23 0.862 4.772 4.785 1.00 0.27 H new ATOM 0 HA GLU A 23 0.395 5.193 2.037 1.00 0.31 H new ATOM 0 HB2 GLU A 23 -0.300 7.388 2.596 1.00 0.39 H new ATOM 0 HB3 GLU A 23 -0.911 6.263 3.792 1.00 0.39 H new ATOM 0 HG2 GLU A 23 0.988 6.857 5.299 1.00 0.42 H new ATOM 0 HG3 GLU A 23 1.560 8.007 4.107 1.00 0.42 H new ATOM 327 N ASN A 24 3.182 6.468 3.296 1.00 0.23 N ATOM 328 CA ASN A 24 4.483 7.031 3.012 1.00 0.25 C ATOM 329 C ASN A 24 5.320 6.062 2.176 1.00 0.24 C ATOM 330 O ASN A 24 6.079 6.498 1.308 1.00 0.29 O ATOM 331 CB ASN A 24 5.148 7.388 4.333 1.00 0.28 C ATOM 332 CG ASN A 24 4.541 8.650 4.957 1.00 0.34 C ATOM 333 OD1 ASN A 24 5.017 9.756 4.722 1.00 0.48 O ATOM 334 ND2 ASN A 24 3.452 8.506 5.704 1.00 0.33 N ATOM 0 H ASN A 24 3.027 6.290 4.288 1.00 0.23 H new ATOM 0 HA ASN A 24 4.386 7.938 2.416 1.00 0.25 H new ATOM 0 HB2 ASN A 24 5.046 6.554 5.028 1.00 0.28 H new ATOM 0 HB3 ASN A 24 6.215 7.540 4.173 1.00 0.28 H new ATOM 0 HD21 ASN A 24 2.991 9.327 6.097 1.00 0.33 H new ATOM 0 HD22 ASN A 24 3.077 7.575 5.884 1.00 0.33 H new ATOM 341 N ALA A 25 5.162 4.752 2.397 1.00 0.25 N ATOM 342 CA ALA A 25 5.749 3.723 1.552 1.00 0.28 C ATOM 343 C ALA A 25 5.294 3.846 0.099 1.00 0.24 C ATOM 344 O ALA A 25 6.001 3.356 -0.774 1.00 0.26 O ATOM 345 CB ALA A 25 5.502 2.316 2.106 1.00 0.37 C ATOM 0 H ALA A 25 4.618 4.380 3.175 1.00 0.25 H new ATOM 0 HA ALA A 25 6.827 3.886 1.563 1.00 0.28 H new ATOM 0 HB1 ALA A 25 5.957 1.579 1.444 1.00 0.37 H new ATOM 0 HB2 ALA A 25 5.943 2.233 3.099 1.00 0.37 H new ATOM 0 HB3 ALA A 25 4.429 2.133 2.169 1.00 0.37 H new ATOM 351 N VAL A 26 4.158 4.504 -0.180 1.00 0.26 N ATOM 352 CA VAL A 26 3.690 4.742 -1.535 1.00 0.28 C ATOM 353 C VAL A 26 3.949 6.170 -2.012 1.00 0.25 C ATOM 354 O VAL A 26 4.346 6.392 -3.152 1.00 0.28 O ATOM 355 CB VAL A 26 2.227 4.316 -1.679 1.00 0.38 C ATOM 356 CG1 VAL A 26 2.049 2.911 -1.104 1.00 1.72 C ATOM 357 CG2 VAL A 26 1.114 5.219 -1.148 1.00 1.93 C ATOM 0 H VAL A 26 3.542 4.884 0.539 1.00 0.26 H new ATOM 0 HA VAL A 26 4.280 4.116 -2.204 1.00 0.28 H new ATOM 0 HB VAL A 26 2.080 4.382 -2.757 1.00 0.38 H new ATOM 0 HG11 VAL A 26 1.008 2.606 -1.206 1.00 1.72 H new ATOM 0 HG12 VAL A 26 2.687 2.213 -1.646 1.00 1.72 H new ATOM 0 HG13 VAL A 26 2.326 2.912 -0.050 1.00 1.72 H new ATOM 0 HG21 VAL A 26 0.147 4.755 -1.339 1.00 1.93 H new ATOM 0 HG22 VAL A 26 1.243 5.362 -0.075 1.00 1.93 H new ATOM 0 HG23 VAL A 26 1.158 6.185 -1.651 1.00 1.93 H new ATOM 367 N ARG A 27 3.760 7.157 -1.140 1.00 0.23 N ATOM 368 CA ARG A 27 3.954 8.561 -1.496 1.00 0.24 C ATOM 369 C ARG A 27 5.396 8.818 -1.941 1.00 0.24 C ATOM 370 O ARG A 27 5.657 9.749 -2.695 1.00 0.34 O ATOM 371 CB ARG A 27 3.596 9.490 -0.330 1.00 0.28 C ATOM 372 CG ARG A 27 2.099 9.462 0.019 1.00 0.43 C ATOM 373 CD ARG A 27 1.695 10.624 0.937 1.00 0.87 C ATOM 374 NE ARG A 27 2.499 10.681 2.172 1.00 1.05 N ATOM 375 CZ ARG A 27 2.508 11.729 3.013 1.00 1.63 C ATOM 376 NH1 ARG A 27 1.657 12.743 2.816 1.00 2.25 N ATOM 377 NH2 ARG A 27 3.369 11.781 4.035 1.00 2.66 N ATOM 0 H ARG A 27 3.470 7.009 -0.173 1.00 0.23 H new ATOM 0 HA ARG A 27 3.283 8.779 -2.327 1.00 0.24 H new ATOM 0 HB2 ARG A 27 4.174 9.202 0.548 1.00 0.28 H new ATOM 0 HB3 ARG A 27 3.886 10.510 -0.582 1.00 0.28 H new ATOM 0 HG2 ARG A 27 1.513 9.506 -0.899 1.00 0.43 H new ATOM 0 HG3 ARG A 27 1.859 8.517 0.506 1.00 0.43 H new ATOM 0 HD2 ARG A 27 1.802 11.564 0.395 1.00 0.87 H new ATOM 0 HD3 ARG A 27 0.641 10.525 1.199 1.00 0.87 H new ATOM 0 HE ARG A 27 3.083 9.877 2.401 1.00 1.05 H new ATOM 0 HH11 ARG A 27 1.006 12.718 2.031 1.00 2.25 H new ATOM 0 HH12 ARG A 27 1.659 13.541 3.451 1.00 2.25 H new ATOM 0 HH21 ARG A 27 4.030 11.019 4.184 1.00 2.66 H new ATOM 0 HH22 ARG A 27 3.364 12.583 4.665 1.00 2.66 H new ATOM 391 N GLN A 28 6.331 7.986 -1.474 1.00 0.22 N ATOM 392 CA GLN A 28 7.736 8.075 -1.839 1.00 0.25 C ATOM 393 C GLN A 28 8.009 7.681 -3.296 1.00 0.23 C ATOM 394 O GLN A 28 9.135 7.851 -3.753 1.00 0.27 O ATOM 395 CB GLN A 28 8.588 7.299 -0.836 1.00 0.29 C ATOM 396 CG GLN A 28 8.367 5.782 -0.899 1.00 0.29 C ATOM 397 CD GLN A 28 9.085 5.099 0.257 1.00 0.37 C ATOM 398 OE1 GLN A 28 9.990 4.296 0.065 1.00 0.50 O ATOM 399 NE2 GLN A 28 8.696 5.439 1.482 1.00 0.50 N ATOM 0 H GLN A 28 6.125 7.226 -0.826 1.00 0.22 H new ATOM 0 HA GLN A 28 8.028 9.124 -1.785 1.00 0.25 H new ATOM 0 HB2 GLN A 28 9.641 7.514 -1.021 1.00 0.29 H new ATOM 0 HB3 GLN A 28 8.363 7.651 0.171 1.00 0.29 H new ATOM 0 HG2 GLN A 28 7.301 5.560 -0.857 1.00 0.29 H new ATOM 0 HG3 GLN A 28 8.736 5.392 -1.848 1.00 0.29 H new ATOM 0 HE21 GLN A 28 7.939 6.111 1.609 1.00 0.50 H new ATOM 0 HE22 GLN A 28 9.155 5.028 2.295 1.00 0.50 H new ATOM 408 N LEU A 29 7.035 7.063 -3.977 1.00 0.21 N ATOM 409 CA LEU A 29 7.140 6.639 -5.363 1.00 0.24 C ATOM 410 C LEU A 29 7.155 7.887 -6.263 1.00 0.30 C ATOM 411 O LEU A 29 8.044 8.726 -6.160 1.00 0.44 O ATOM 412 CB LEU A 29 5.987 5.666 -5.677 1.00 0.26 C ATOM 413 CG LEU A 29 5.866 4.361 -4.847 1.00 0.33 C ATOM 414 CD1 LEU A 29 6.071 3.157 -5.758 1.00 0.38 C ATOM 415 CD2 LEU A 29 6.800 4.125 -3.658 1.00 0.71 C ATOM 0 H LEU A 29 6.131 6.842 -3.560 1.00 0.21 H new ATOM 0 HA LEU A 29 8.068 6.099 -5.552 1.00 0.24 H new ATOM 0 HB2 LEU A 29 5.052 6.215 -5.567 1.00 0.26 H new ATOM 0 HB3 LEU A 29 6.069 5.384 -6.727 1.00 0.26 H new ATOM 0 HG LEU A 29 4.872 4.486 -4.417 1.00 0.33 H new ATOM 0 HD11 LEU A 29 5.986 2.240 -5.174 1.00 0.38 H new ATOM 0 HD12 LEU A 29 5.313 3.160 -6.541 1.00 0.38 H new ATOM 0 HD13 LEU A 29 7.061 3.208 -6.211 1.00 0.38 H new ATOM 0 HD21 LEU A 29 6.570 3.163 -3.200 1.00 0.71 H new ATOM 0 HD22 LEU A 29 7.834 4.125 -4.002 1.00 0.71 H new ATOM 0 HD23 LEU A 29 6.662 4.919 -2.924 1.00 0.71 H new ATOM 427 N ALA A 30 6.176 8.023 -7.158 1.00 0.28 N ATOM 428 CA ALA A 30 6.068 9.151 -8.077 1.00 0.29 C ATOM 429 C ALA A 30 4.748 9.048 -8.831 1.00 0.30 C ATOM 430 O ALA A 30 4.016 10.022 -8.964 1.00 0.31 O ATOM 431 CB ALA A 30 7.236 9.156 -9.072 1.00 0.32 C ATOM 0 H ALA A 30 5.425 7.341 -7.265 1.00 0.28 H new ATOM 0 HA ALA A 30 6.102 10.080 -7.508 1.00 0.29 H new ATOM 0 HB1 ALA A 30 7.135 10.006 -9.747 1.00 0.32 H new ATOM 0 HB2 ALA A 30 8.177 9.235 -8.528 1.00 0.32 H new ATOM 0 HB3 ALA A 30 7.227 8.231 -9.649 1.00 0.32 H new ATOM 437 N GLY A 31 4.455 7.843 -9.326 1.00 0.32 N ATOM 438 CA GLY A 31 3.272 7.604 -10.144 1.00 0.36 C ATOM 439 C GLY A 31 1.989 7.489 -9.315 1.00 0.33 C ATOM 440 O GLY A 31 0.883 7.634 -9.840 1.00 0.45 O ATOM 0 H GLY A 31 5.028 7.014 -9.171 1.00 0.32 H new ATOM 0 HA2 GLY A 31 3.163 8.416 -10.863 1.00 0.36 H new ATOM 0 HA3 GLY A 31 3.412 6.688 -10.717 1.00 0.36 H new ATOM 444 N VAL A 32 2.140 7.196 -8.019 1.00 0.27 N ATOM 445 CA VAL A 32 1.046 7.187 -7.063 1.00 0.27 C ATOM 446 C VAL A 32 0.465 8.591 -6.955 1.00 0.36 C ATOM 447 O VAL A 32 1.222 9.560 -6.917 1.00 0.44 O ATOM 448 CB VAL A 32 1.561 6.700 -5.699 1.00 0.36 C ATOM 449 CG1 VAL A 32 0.468 6.806 -4.627 1.00 0.49 C ATOM 450 CG2 VAL A 32 2.049 5.253 -5.833 1.00 0.37 C ATOM 0 H VAL A 32 3.041 6.956 -7.606 1.00 0.27 H new ATOM 0 HA VAL A 32 0.261 6.508 -7.397 1.00 0.27 H new ATOM 0 HB VAL A 32 2.390 7.335 -5.385 1.00 0.36 H new ATOM 0 HG11 VAL A 32 0.860 6.455 -3.672 1.00 0.49 H new ATOM 0 HG12 VAL A 32 0.153 7.845 -4.530 1.00 0.49 H new ATOM 0 HG13 VAL A 32 -0.386 6.193 -4.916 1.00 0.49 H new ATOM 0 HG21 VAL A 32 2.416 4.902 -4.868 1.00 0.37 H new ATOM 0 HG22 VAL A 32 1.224 4.620 -6.160 1.00 0.37 H new ATOM 0 HG23 VAL A 32 2.855 5.207 -6.566 1.00 0.37 H new ATOM 460 N ASN A 33 -0.864 8.696 -6.881 1.00 0.44 N ATOM 461 CA ASN A 33 -1.529 9.980 -6.718 1.00 0.59 C ATOM 462 C ASN A 33 -2.555 9.953 -5.590 1.00 0.47 C ATOM 463 O ASN A 33 -2.552 10.863 -4.764 1.00 0.83 O ATOM 464 CB ASN A 33 -2.101 10.474 -8.049 1.00 0.92 C ATOM 465 CG ASN A 33 -2.958 9.452 -8.784 1.00 1.06 C ATOM 466 OD1 ASN A 33 -4.110 9.228 -8.435 1.00 2.80 O ATOM 467 ND2 ASN A 33 -2.398 8.881 -9.839 1.00 0.95 N ATOM 0 H ASN A 33 -1.499 7.899 -6.932 1.00 0.44 H new ATOM 0 HA ASN A 33 -0.782 10.712 -6.411 1.00 0.59 H new ATOM 0 HB2 ASN A 33 -2.699 11.366 -7.864 1.00 0.92 H new ATOM 0 HB3 ASN A 33 -1.276 10.772 -8.697 1.00 0.92 H new ATOM 0 HD21 ASN A 33 -2.931 8.220 -10.404 1.00 0.95 H new ATOM 0 HD22 ASN A 33 -1.434 9.102 -10.087 1.00 0.95 H new ATOM 474 N GLN A 34 -3.430 8.944 -5.533 1.00 0.44 N ATOM 475 CA GLN A 34 -4.524 8.916 -4.566 1.00 0.67 C ATOM 476 C GLN A 34 -4.501 7.584 -3.808 1.00 0.70 C ATOM 477 O GLN A 34 -4.851 6.538 -4.341 1.00 1.34 O ATOM 478 CB GLN A 34 -5.844 9.204 -5.298 1.00 0.84 C ATOM 479 CG GLN A 34 -5.933 10.684 -5.707 1.00 1.40 C ATOM 480 CD GLN A 34 -6.919 10.909 -6.849 1.00 1.11 C ATOM 481 OE1 GLN A 34 -8.017 11.413 -6.638 1.00 1.42 O ATOM 482 NE2 GLN A 34 -6.529 10.563 -8.073 1.00 0.93 N ATOM 0 H GLN A 34 -3.398 8.133 -6.151 1.00 0.44 H new ATOM 0 HA GLN A 34 -4.413 9.693 -3.810 1.00 0.67 H new ATOM 0 HB2 GLN A 34 -5.919 8.573 -6.183 1.00 0.84 H new ATOM 0 HB3 GLN A 34 -6.685 8.949 -4.653 1.00 0.84 H new ATOM 0 HG2 GLN A 34 -6.236 11.279 -4.846 1.00 1.40 H new ATOM 0 HG3 GLN A 34 -4.946 11.036 -6.007 1.00 1.40 H new ATOM 0 HE21 GLN A 34 -5.609 10.146 -8.216 1.00 0.93 H new ATOM 0 HE22 GLN A 34 -7.150 10.715 -8.868 1.00 0.93 H new ATOM 491 N VAL A 35 -4.045 7.607 -2.553 1.00 0.36 N ATOM 492 CA VAL A 35 -3.899 6.415 -1.726 1.00 0.37 C ATOM 493 C VAL A 35 -5.058 6.295 -0.728 1.00 0.35 C ATOM 494 O VAL A 35 -5.473 7.280 -0.125 1.00 0.45 O ATOM 495 CB VAL A 35 -2.511 6.403 -1.059 1.00 0.50 C ATOM 496 CG1 VAL A 35 -2.227 7.629 -0.180 1.00 1.54 C ATOM 497 CG2 VAL A 35 -2.336 5.122 -0.237 1.00 1.31 C ATOM 0 H VAL A 35 -3.764 8.466 -2.080 1.00 0.36 H new ATOM 0 HA VAL A 35 -3.955 5.526 -2.354 1.00 0.37 H new ATOM 0 HB VAL A 35 -1.786 6.439 -1.873 1.00 0.50 H new ATOM 0 HG11 VAL A 35 -1.230 7.543 0.253 1.00 1.54 H new ATOM 0 HG12 VAL A 35 -2.283 8.533 -0.787 1.00 1.54 H new ATOM 0 HG13 VAL A 35 -2.966 7.683 0.619 1.00 1.54 H new ATOM 0 HG21 VAL A 35 -1.352 5.122 0.231 1.00 1.31 H new ATOM 0 HG22 VAL A 35 -3.105 5.077 0.534 1.00 1.31 H new ATOM 0 HG23 VAL A 35 -2.427 4.255 -0.891 1.00 1.31 H new ATOM 507 N GLN A 36 -5.571 5.074 -0.554 1.00 0.31 N ATOM 508 CA GLN A 36 -6.607 4.673 0.365 1.00 0.40 C ATOM 509 C GLN A 36 -6.025 3.575 1.252 1.00 0.32 C ATOM 510 O GLN A 36 -6.115 2.382 0.941 1.00 0.44 O ATOM 511 CB GLN A 36 -7.782 4.137 -0.455 1.00 0.82 C ATOM 512 CG GLN A 36 -8.680 5.252 -0.980 1.00 1.07 C ATOM 513 CD GLN A 36 -9.028 5.062 -2.465 1.00 1.21 C ATOM 514 OE1 GLN A 36 -10.024 4.426 -2.827 1.00 1.87 O ATOM 515 NE2 GLN A 36 -8.173 5.597 -3.332 1.00 1.40 N ATOM 0 H GLN A 36 -5.235 4.284 -1.105 1.00 0.31 H new ATOM 0 HA GLN A 36 -6.954 5.500 0.984 1.00 0.40 H new ATOM 0 HB2 GLN A 36 -7.401 3.556 -1.294 1.00 0.82 H new ATOM 0 HB3 GLN A 36 -8.372 3.458 0.161 1.00 0.82 H new ATOM 0 HG2 GLN A 36 -9.598 5.284 -0.394 1.00 1.07 H new ATOM 0 HG3 GLN A 36 -8.182 6.212 -0.845 1.00 1.07 H new ATOM 0 HE21 GLN A 36 -7.362 6.115 -2.995 1.00 1.40 H new ATOM 0 HE22 GLN A 36 -8.328 5.489 -4.334 1.00 1.40 H new ATOM 524 N VAL A 37 -5.508 3.996 2.402 1.00 0.36 N ATOM 525 CA VAL A 37 -5.091 3.123 3.490 1.00 0.44 C ATOM 526 C VAL A 37 -6.298 2.976 4.418 1.00 0.38 C ATOM 527 O VAL A 37 -6.743 3.947 5.021 1.00 0.53 O ATOM 528 CB VAL A 37 -3.857 3.698 4.228 1.00 0.59 C ATOM 529 CG1 VAL A 37 -2.711 3.943 3.250 1.00 1.72 C ATOM 530 CG2 VAL A 37 -4.072 5.019 4.987 1.00 1.67 C ATOM 0 H VAL A 37 -5.364 4.985 2.607 1.00 0.36 H new ATOM 0 HA VAL A 37 -4.780 2.148 3.115 1.00 0.44 H new ATOM 0 HB VAL A 37 -3.636 2.929 4.969 1.00 0.59 H new ATOM 0 HG11 VAL A 37 -1.854 4.347 3.788 1.00 1.72 H new ATOM 0 HG12 VAL A 37 -2.431 3.003 2.775 1.00 1.72 H new ATOM 0 HG13 VAL A 37 -3.029 4.654 2.488 1.00 1.72 H new ATOM 0 HG21 VAL A 37 -3.139 5.321 5.462 1.00 1.67 H new ATOM 0 HG22 VAL A 37 -4.391 5.792 4.288 1.00 1.67 H new ATOM 0 HG23 VAL A 37 -4.839 4.880 5.749 1.00 1.67 H new ATOM 540 N LEU A 38 -6.895 1.779 4.464 1.00 0.37 N ATOM 541 CA LEU A 38 -8.005 1.481 5.345 1.00 0.36 C ATOM 542 C LEU A 38 -7.595 0.333 6.270 1.00 0.41 C ATOM 543 O LEU A 38 -7.429 -0.804 5.819 1.00 0.64 O ATOM 544 CB LEU A 38 -9.217 1.134 4.481 1.00 0.42 C ATOM 545 CG LEU A 38 -10.377 0.538 5.269 1.00 0.50 C ATOM 546 CD1 LEU A 38 -10.860 1.452 6.397 1.00 0.51 C ATOM 547 CD2 LEU A 38 -11.542 0.222 4.327 1.00 0.59 C ATOM 0 H LEU A 38 -6.611 0.991 3.882 1.00 0.37 H new ATOM 0 HA LEU A 38 -8.271 2.332 5.973 1.00 0.36 H new ATOM 0 HB2 LEU A 38 -9.559 2.035 3.972 1.00 0.42 H new ATOM 0 HB3 LEU A 38 -8.912 0.428 3.709 1.00 0.42 H new ATOM 0 HG LEU A 38 -10.008 -0.377 5.731 1.00 0.50 H new ATOM 0 HD11 LEU A 38 -11.687 0.975 6.923 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -10.042 1.632 7.095 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -11.195 2.401 5.978 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -12.367 -0.204 4.898 1.00 0.59 H new ATOM 0 HD22 LEU A 38 -11.874 1.138 3.838 1.00 0.59 H new ATOM 0 HD23 LEU A 38 -11.216 -0.494 3.572 1.00 0.59 H new ATOM 559 N PHE A 39 -7.466 0.651 7.562 1.00 0.56 N ATOM 560 CA PHE A 39 -7.327 -0.329 8.624 1.00 0.73 C ATOM 561 C PHE A 39 -8.560 -1.205 8.733 1.00 0.99 C ATOM 562 O PHE A 39 -9.613 -0.899 8.174 1.00 1.64 O ATOM 563 CB PHE A 39 -7.126 0.379 9.971 1.00 1.18 C ATOM 564 CG PHE A 39 -5.851 1.173 10.106 1.00 0.66 C ATOM 565 CD1 PHE A 39 -4.647 0.593 9.681 1.00 1.77 C ATOM 566 CD2 PHE A 39 -5.818 2.283 10.968 1.00 1.66 C ATOM 567 CE1 PHE A 39 -3.426 1.035 10.200 1.00 2.31 C ATOM 568 CE2 PHE A 39 -4.590 2.752 11.460 1.00 2.07 C ATOM 569 CZ PHE A 39 -3.394 2.105 11.104 1.00 2.05 C ATOM 0 H PHE A 39 -7.456 1.615 7.896 1.00 0.56 H new ATOM 0 HA PHE A 39 -6.464 -0.949 8.382 1.00 0.73 H new ATOM 0 HB2 PHE A 39 -7.969 1.049 10.138 1.00 1.18 H new ATOM 0 HB3 PHE A 39 -7.152 -0.370 10.762 1.00 1.18 H new ATOM 0 HD1 PHE A 39 -4.663 -0.200 8.948 1.00 1.77 H new ATOM 0 HD2 PHE A 39 -6.737 2.775 11.251 1.00 1.66 H new ATOM 0 HE1 PHE A 39 -2.507 0.551 9.904 1.00 2.31 H new ATOM 0 HE2 PHE A 39 -4.564 3.612 12.113 1.00 2.07 H new ATOM 0 HZ PHE A 39 -2.455 2.431 11.525 1.00 2.05 H new ATOM 579 N ALA A 40 -8.405 -2.306 9.466 1.00 0.89 N ATOM 580 CA ALA A 40 -9.433 -3.266 9.828 1.00 1.05 C ATOM 581 C ALA A 40 -9.847 -4.135 8.635 1.00 0.91 C ATOM 582 O ALA A 40 -9.829 -5.359 8.717 1.00 1.18 O ATOM 583 CB ALA A 40 -10.639 -2.597 10.503 1.00 1.28 C ATOM 0 H ALA A 40 -7.494 -2.564 9.846 1.00 0.89 H new ATOM 0 HA ALA A 40 -8.995 -3.934 10.569 1.00 1.05 H new ATOM 0 HB1 ALA A 40 -11.381 -3.354 10.755 1.00 1.28 H new ATOM 0 HB2 ALA A 40 -10.313 -2.091 11.412 1.00 1.28 H new ATOM 0 HB3 ALA A 40 -11.080 -1.870 9.822 1.00 1.28 H new ATOM 589 N THR A 41 -10.162 -3.502 7.499 1.00 0.65 N ATOM 590 CA THR A 41 -10.180 -4.175 6.207 1.00 0.65 C ATOM 591 C THR A 41 -8.755 -4.628 5.863 1.00 0.55 C ATOM 592 O THR A 41 -8.575 -5.549 5.070 1.00 0.85 O ATOM 593 CB THR A 41 -10.803 -3.282 5.127 1.00 0.79 C ATOM 594 OG1 THR A 41 -11.947 -2.620 5.628 1.00 0.97 O ATOM 595 CG2 THR A 41 -11.282 -4.125 3.939 1.00 1.35 C ATOM 0 H THR A 41 -10.410 -2.513 7.455 1.00 0.65 H new ATOM 0 HA THR A 41 -10.813 -5.061 6.256 1.00 0.65 H new ATOM 0 HB THR A 41 -10.036 -2.570 4.823 1.00 0.79 H new ATOM 0 HG1 THR A 41 -12.579 -2.461 4.896 1.00 0.97 H new ATOM 0 HG21 THR A 41 -11.721 -3.473 3.184 1.00 1.35 H new ATOM 0 HG22 THR A 41 -10.436 -4.661 3.509 1.00 1.35 H new ATOM 0 HG23 THR A 41 -12.030 -4.841 4.279 1.00 1.35 H new ATOM 603 N GLU A 42 -7.750 -3.976 6.466 1.00 0.47 N ATOM 604 CA GLU A 42 -6.344 -4.322 6.355 1.00 0.58 C ATOM 605 C GLU A 42 -5.939 -4.269 4.882 1.00 0.65 C ATOM 606 O GLU A 42 -5.226 -5.144 4.383 1.00 0.75 O ATOM 607 CB GLU A 42 -6.100 -5.692 7.011 1.00 0.74 C ATOM 608 CG GLU A 42 -4.636 -5.912 7.420 1.00 2.02 C ATOM 609 CD GLU A 42 -4.205 -5.145 8.663 1.00 3.28 C ATOM 610 OE1 GLU A 42 -5.066 -4.442 9.233 1.00 3.65 O ATOM 611 OE2 GLU A 42 -3.010 -5.295 9.007 1.00 4.60 O ATOM 0 H GLU A 42 -7.911 -3.165 7.064 1.00 0.47 H new ATOM 0 HA GLU A 42 -5.715 -3.609 6.887 1.00 0.58 H new ATOM 0 HB2 GLU A 42 -6.735 -5.784 7.892 1.00 0.74 H new ATOM 0 HB3 GLU A 42 -6.400 -6.478 6.318 1.00 0.74 H new ATOM 0 HG2 GLU A 42 -4.476 -6.976 7.592 1.00 2.02 H new ATOM 0 HG3 GLU A 42 -3.993 -5.623 6.589 1.00 2.02 H new ATOM 618 N LYS A 43 -6.438 -3.244 4.177 1.00 0.67 N ATOM 619 CA LYS A 43 -6.360 -3.212 2.726 1.00 0.73 C ATOM 620 C LYS A 43 -5.739 -1.918 2.207 1.00 0.59 C ATOM 621 O LYS A 43 -6.081 -0.812 2.648 1.00 0.62 O ATOM 622 CB LYS A 43 -7.708 -3.588 2.095 1.00 0.95 C ATOM 623 CG LYS A 43 -8.718 -2.443 2.115 1.00 1.11 C ATOM 624 CD LYS A 43 -8.663 -1.649 0.804 1.00 0.88 C ATOM 625 CE LYS A 43 -9.132 -0.217 1.054 1.00 0.94 C ATOM 626 NZ LYS A 43 -8.015 0.647 1.494 1.00 2.98 N ATOM 0 H LYS A 43 -6.896 -2.434 4.594 1.00 0.67 H new ATOM 0 HA LYS A 43 -5.663 -3.983 2.398 1.00 0.73 H new ATOM 0 HB2 LYS A 43 -7.545 -3.903 1.064 1.00 0.95 H new ATOM 0 HB3 LYS A 43 -8.126 -4.443 2.627 1.00 0.95 H new ATOM 0 HG2 LYS A 43 -9.722 -2.840 2.264 1.00 1.11 H new ATOM 0 HG3 LYS A 43 -8.509 -1.782 2.956 1.00 1.11 H new ATOM 0 HD2 LYS A 43 -7.646 -1.646 0.411 1.00 0.88 H new ATOM 0 HD3 LYS A 43 -9.294 -2.123 0.053 1.00 0.88 H new ATOM 0 HE2 LYS A 43 -9.570 0.188 0.142 1.00 0.94 H new ATOM 0 HE3 LYS A 43 -9.915 -0.216 1.812 1.00 0.94 H new ATOM 0 HZ1 LYS A 43 -8.395 1.513 1.926 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 -7.436 0.137 2.192 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 -7.427 0.899 0.674 1.00 2.98 H new ATOM 640 N LEU A 44 -4.843 -2.083 1.236 1.00 0.56 N ATOM 641 CA LEU A 44 -4.036 -1.050 0.605 1.00 0.62 C ATOM 642 C LEU A 44 -4.692 -0.754 -0.711 1.00 0.63 C ATOM 643 O LEU A 44 -4.812 -1.687 -1.496 1.00 0.80 O ATOM 644 CB LEU A 44 -2.635 -1.635 0.346 1.00 0.62 C ATOM 645 CG LEU A 44 -1.477 -0.887 0.994 1.00 0.76 C ATOM 646 CD1 LEU A 44 -0.994 0.319 0.191 1.00 0.73 C ATOM 647 CD2 LEU A 44 -1.871 -0.481 2.400 1.00 1.52 C ATOM 0 H LEU A 44 -4.651 -3.006 0.846 1.00 0.56 H new ATOM 0 HA LEU A 44 -3.953 -0.154 1.219 1.00 0.62 H new ATOM 0 HB2 LEU A 44 -2.621 -2.666 0.700 1.00 0.62 H new ATOM 0 HB3 LEU A 44 -2.467 -1.665 -0.731 1.00 0.62 H new ATOM 0 HG LEU A 44 -0.628 -1.570 1.022 1.00 0.76 H new ATOM 0 HD11 LEU A 44 -0.169 0.799 0.717 1.00 0.73 H new ATOM 0 HD12 LEU A 44 -0.656 -0.010 -0.792 1.00 0.73 H new ATOM 0 HD13 LEU A 44 -1.812 1.030 0.074 1.00 0.73 H new ATOM 0 HD21 LEU A 44 -1.046 0.055 2.869 1.00 1.52 H new ATOM 0 HD22 LEU A 44 -2.747 0.166 2.360 1.00 1.52 H new ATOM 0 HD23 LEU A 44 -2.104 -1.371 2.984 1.00 1.52 H new ATOM 659 N VAL A 45 -5.137 0.483 -0.946 1.00 0.43 N ATOM 660 CA VAL A 45 -5.646 0.857 -2.251 1.00 0.29 C ATOM 661 C VAL A 45 -4.859 2.022 -2.803 1.00 0.41 C ATOM 662 O VAL A 45 -5.029 3.147 -2.367 1.00 0.94 O ATOM 663 CB VAL A 45 -7.159 1.060 -2.209 1.00 0.39 C ATOM 664 CG1 VAL A 45 -7.676 1.850 -3.408 1.00 0.68 C ATOM 665 CG2 VAL A 45 -7.720 -0.344 -2.322 1.00 0.76 C ATOM 0 H VAL A 45 -5.152 1.230 -0.252 1.00 0.43 H new ATOM 0 HA VAL A 45 -5.496 0.042 -2.960 1.00 0.29 H new ATOM 0 HB VAL A 45 -7.444 1.608 -1.311 1.00 0.39 H new ATOM 0 HG11 VAL A 45 -8.757 1.966 -3.329 1.00 0.68 H new ATOM 0 HG12 VAL A 45 -7.206 2.833 -3.426 1.00 0.68 H new ATOM 0 HG13 VAL A 45 -7.435 1.316 -4.327 1.00 0.68 H new ATOM 0 HG21 VAL A 45 -8.809 -0.303 -2.301 1.00 0.76 H new ATOM 0 HG22 VAL A 45 -7.392 -0.793 -3.260 1.00 0.76 H new ATOM 0 HG23 VAL A 45 -7.363 -0.947 -1.487 1.00 0.76 H new ATOM 675 N VAL A 46 -3.955 1.746 -3.727 1.00 0.30 N ATOM 676 CA VAL A 46 -3.089 2.753 -4.298 1.00 0.27 C ATOM 677 C VAL A 46 -3.595 3.086 -5.697 1.00 0.28 C ATOM 678 O VAL A 46 -3.524 2.235 -6.587 1.00 0.51 O ATOM 679 CB VAL A 46 -1.662 2.202 -4.259 1.00 0.36 C ATOM 680 CG1 VAL A 46 -0.676 3.170 -4.908 1.00 0.51 C ATOM 681 CG2 VAL A 46 -1.271 1.993 -2.790 1.00 0.32 C ATOM 0 H VAL A 46 -3.803 0.810 -4.102 1.00 0.30 H new ATOM 0 HA VAL A 46 -3.091 3.690 -3.742 1.00 0.27 H new ATOM 0 HB VAL A 46 -1.627 1.264 -4.813 1.00 0.36 H new ATOM 0 HG11 VAL A 46 0.329 2.750 -4.864 1.00 0.51 H new ATOM 0 HG12 VAL A 46 -0.957 3.332 -5.949 1.00 0.51 H new ATOM 0 HG13 VAL A 46 -0.695 4.121 -4.375 1.00 0.51 H new ATOM 0 HG21 VAL A 46 -0.256 1.600 -2.736 1.00 0.32 H new ATOM 0 HG22 VAL A 46 -1.320 2.945 -2.261 1.00 0.32 H new ATOM 0 HG23 VAL A 46 -1.959 1.285 -2.327 1.00 0.32 H new ATOM 691 N ASP A 47 -4.078 4.320 -5.884 1.00 0.21 N ATOM 692 CA ASP A 47 -4.544 4.787 -7.178 1.00 0.22 C ATOM 693 C ASP A 47 -3.376 5.562 -7.786 1.00 0.21 C ATOM 694 O ASP A 47 -2.910 6.566 -7.228 1.00 0.29 O ATOM 695 CB ASP A 47 -5.839 5.611 -7.086 1.00 0.36 C ATOM 696 CG ASP A 47 -6.978 4.942 -6.316 1.00 1.38 C ATOM 697 OD1 ASP A 47 -6.878 3.731 -6.036 1.00 2.49 O ATOM 698 OD2 ASP A 47 -7.966 5.643 -6.001 1.00 2.35 O ATOM 0 H ASP A 47 -4.153 5.014 -5.140 1.00 0.21 H new ATOM 0 HA ASP A 47 -4.826 3.951 -7.818 1.00 0.22 H new ATOM 0 HB2 ASP A 47 -5.611 6.566 -6.611 1.00 0.36 H new ATOM 0 HB3 ASP A 47 -6.184 5.831 -8.096 1.00 0.36 H new ATOM 703 N ALA A 48 -2.837 5.006 -8.876 1.00 0.24 N ATOM 704 CA ALA A 48 -1.581 5.424 -9.477 1.00 0.26 C ATOM 705 C ALA A 48 -1.713 5.452 -10.994 1.00 0.31 C ATOM 706 O ALA A 48 -2.350 4.570 -11.573 1.00 0.50 O ATOM 707 CB ALA A 48 -0.471 4.448 -9.068 1.00 0.32 C ATOM 0 H ALA A 48 -3.280 4.233 -9.372 1.00 0.24 H new ATOM 0 HA ALA A 48 -1.330 6.426 -9.128 1.00 0.26 H new ATOM 0 HB1 ALA A 48 0.472 4.760 -9.518 1.00 0.32 H new ATOM 0 HB2 ALA A 48 -0.371 4.444 -7.983 1.00 0.32 H new ATOM 0 HB3 ALA A 48 -0.723 3.445 -9.413 1.00 0.32 H new ATOM 713 N ASP A 49 -1.084 6.434 -11.641 1.00 0.33 N ATOM 714 CA ASP A 49 -1.110 6.569 -13.096 1.00 0.40 C ATOM 715 C ASP A 49 0.111 5.868 -13.697 1.00 0.42 C ATOM 716 O ASP A 49 0.908 6.481 -14.402 1.00 0.57 O ATOM 717 CB ASP A 49 -1.223 8.052 -13.491 1.00 0.53 C ATOM 718 CG ASP A 49 -2.651 8.570 -13.386 1.00 0.69 C ATOM 719 OD1 ASP A 49 -3.224 8.473 -12.278 1.00 1.97 O ATOM 720 OD2 ASP A 49 -3.162 9.025 -14.430 1.00 1.69 O ATOM 0 H ASP A 49 -0.542 7.158 -11.170 1.00 0.33 H new ATOM 0 HA ASP A 49 -1.992 6.078 -13.508 1.00 0.40 H new ATOM 0 HB2 ASP A 49 -0.575 8.647 -12.848 1.00 0.53 H new ATOM 0 HB3 ASP A 49 -0.866 8.182 -14.513 1.00 0.53 H new ATOM 725 N ASN A 50 0.226 4.563 -13.426 1.00 0.34 N ATOM 726 CA ASN A 50 1.244 3.624 -13.912 1.00 0.41 C ATOM 727 C ASN A 50 1.144 2.359 -13.065 1.00 0.60 C ATOM 728 O ASN A 50 0.656 2.453 -11.939 1.00 1.75 O ATOM 729 CB ASN A 50 2.687 4.173 -13.861 1.00 0.44 C ATOM 730 CG ASN A 50 3.241 4.547 -12.479 1.00 0.50 C ATOM 731 OD1 ASN A 50 4.385 4.975 -12.380 1.00 1.33 O ATOM 732 ND2 ASN A 50 2.491 4.393 -11.389 1.00 0.60 N ATOM 0 H ASN A 50 -0.444 4.099 -12.812 1.00 0.34 H new ATOM 0 HA ASN A 50 1.043 3.434 -14.966 1.00 0.41 H new ATOM 0 HB2 ASN A 50 3.349 3.427 -14.301 1.00 0.44 H new ATOM 0 HB3 ASN A 50 2.736 5.057 -14.496 1.00 0.44 H new ATOM 0 HD21 ASN A 50 2.869 4.631 -10.472 1.00 0.60 H new ATOM 0 HD22 ASN A 50 1.539 4.037 -11.471 1.00 0.60 H new ATOM 739 N ASP A 51 1.636 1.213 -13.546 1.00 0.72 N ATOM 740 CA ASP A 51 1.776 0.042 -12.687 1.00 0.61 C ATOM 741 C ASP A 51 2.994 0.246 -11.792 1.00 0.43 C ATOM 742 O ASP A 51 4.085 0.511 -12.296 1.00 0.55 O ATOM 743 CB ASP A 51 1.934 -1.241 -13.508 1.00 0.84 C ATOM 744 CG ASP A 51 1.958 -2.485 -12.623 1.00 2.03 C ATOM 745 OD1 ASP A 51 1.817 -2.360 -11.380 1.00 3.14 O ATOM 746 OD2 ASP A 51 2.025 -3.598 -13.194 1.00 2.74 O ATOM 0 H ASP A 51 1.939 1.075 -14.510 1.00 0.72 H new ATOM 0 HA ASP A 51 0.874 -0.068 -12.085 1.00 0.61 H new ATOM 0 HB2 ASP A 51 1.113 -1.319 -14.221 1.00 0.84 H new ATOM 0 HB3 ASP A 51 2.856 -1.190 -14.087 1.00 0.84 H new ATOM 751 N ILE A 52 2.811 0.122 -10.477 1.00 0.31 N ATOM 752 CA ILE A 52 3.902 0.150 -9.512 1.00 0.26 C ATOM 753 C ILE A 52 3.666 -0.900 -8.427 1.00 0.25 C ATOM 754 O ILE A 52 4.207 -0.781 -7.331 1.00 0.28 O ATOM 755 CB ILE A 52 4.078 1.567 -8.918 1.00 0.34 C ATOM 756 CG1 ILE A 52 2.755 2.267 -8.570 1.00 0.42 C ATOM 757 CG2 ILE A 52 4.891 2.463 -9.860 1.00 0.49 C ATOM 758 CD1 ILE A 52 1.880 1.477 -7.595 1.00 0.62 C ATOM 0 H ILE A 52 1.892 -0.002 -10.052 1.00 0.31 H new ATOM 0 HA ILE A 52 4.833 -0.098 -10.021 1.00 0.26 H new ATOM 0 HB ILE A 52 4.617 1.417 -7.982 1.00 0.34 H new ATOM 0 HG12 ILE A 52 2.973 3.244 -8.139 1.00 0.42 H new ATOM 0 HG13 ILE A 52 2.194 2.442 -9.488 1.00 0.42 H new ATOM 0 HG21 ILE A 52 4.999 3.453 -9.417 1.00 0.49 H new ATOM 0 HG22 ILE A 52 5.877 2.026 -10.017 1.00 0.49 H new ATOM 0 HG23 ILE A 52 4.375 2.548 -10.817 1.00 0.49 H new ATOM 0 HD11 ILE A 52 0.964 2.033 -7.396 1.00 0.62 H new ATOM 0 HD12 ILE A 52 1.630 0.510 -8.032 1.00 0.62 H new ATOM 0 HD13 ILE A 52 2.422 1.325 -6.661 1.00 0.62 H new ATOM 770 N ARG A 53 2.861 -1.935 -8.683 1.00 0.27 N ATOM 771 CA ARG A 53 2.382 -2.765 -7.576 1.00 0.30 C ATOM 772 C ARG A 53 3.517 -3.479 -6.872 1.00 0.25 C ATOM 773 O ARG A 53 3.628 -3.405 -5.651 1.00 0.27 O ATOM 774 CB ARG A 53 1.358 -3.778 -8.049 1.00 0.35 C ATOM 775 CG ARG A 53 0.179 -2.999 -8.609 1.00 0.41 C ATOM 776 CD ARG A 53 -0.941 -3.914 -9.106 1.00 0.48 C ATOM 777 NE ARG A 53 -0.492 -5.275 -9.429 1.00 0.83 N ATOM 778 CZ ARG A 53 0.134 -5.628 -10.558 1.00 1.99 C ATOM 779 NH1 ARG A 53 0.539 -4.670 -11.394 1.00 3.06 N ATOM 780 NH2 ARG A 53 0.363 -6.912 -10.827 1.00 2.54 N ATOM 0 H ARG A 53 2.537 -2.211 -9.610 1.00 0.27 H new ATOM 0 HA ARG A 53 1.909 -2.089 -6.864 1.00 0.30 H new ATOM 0 HB2 ARG A 53 1.785 -4.430 -8.811 1.00 0.35 H new ATOM 0 HB3 ARG A 53 1.040 -4.417 -7.225 1.00 0.35 H new ATOM 0 HG2 ARG A 53 -0.213 -2.335 -7.839 1.00 0.41 H new ATOM 0 HG3 ARG A 53 0.521 -2.368 -9.430 1.00 0.41 H new ATOM 0 HD2 ARG A 53 -1.719 -3.969 -8.344 1.00 0.48 H new ATOM 0 HD3 ARG A 53 -1.394 -3.470 -9.993 1.00 0.48 H new ATOM 0 HE ARG A 53 -0.671 -6.006 -8.741 1.00 0.83 H new ATOM 0 HH11 ARG A 53 0.370 -3.690 -11.167 1.00 3.06 H new ATOM 0 HH12 ARG A 53 1.018 -4.918 -12.260 1.00 3.06 H new ATOM 0 HH21 ARG A 53 0.061 -7.632 -10.171 1.00 2.54 H new ATOM 0 HH22 ARG A 53 0.841 -7.175 -11.689 1.00 2.54 H new ATOM 794 N ALA A 54 4.387 -4.115 -7.658 1.00 0.25 N ATOM 795 CA ALA A 54 5.611 -4.713 -7.154 1.00 0.24 C ATOM 796 C ALA A 54 6.429 -3.669 -6.395 1.00 0.20 C ATOM 797 O ALA A 54 7.111 -3.994 -5.422 1.00 0.20 O ATOM 798 CB ALA A 54 6.421 -5.266 -8.327 1.00 0.29 C ATOM 0 H ALA A 54 4.257 -4.227 -8.663 1.00 0.25 H new ATOM 0 HA ALA A 54 5.365 -5.525 -6.470 1.00 0.24 H new ATOM 0 HB1 ALA A 54 7.341 -5.716 -7.954 1.00 0.29 H new ATOM 0 HB2 ALA A 54 5.834 -6.021 -8.851 1.00 0.29 H new ATOM 0 HB3 ALA A 54 6.666 -4.456 -9.014 1.00 0.29 H new ATOM 804 N GLN A 55 6.376 -2.409 -6.848 1.00 0.22 N ATOM 805 CA GLN A 55 7.225 -1.381 -6.280 1.00 0.27 C ATOM 806 C GLN A 55 6.678 -0.968 -4.927 1.00 0.28 C ATOM 807 O GLN A 55 7.444 -0.781 -3.982 1.00 0.39 O ATOM 808 CB GLN A 55 7.404 -0.211 -7.254 1.00 0.38 C ATOM 809 CG GLN A 55 8.694 0.559 -6.937 1.00 0.37 C ATOM 810 CD GLN A 55 8.933 1.732 -7.886 1.00 1.26 C ATOM 811 OE1 GLN A 55 9.222 2.842 -7.455 1.00 2.75 O ATOM 812 NE2 GLN A 55 8.822 1.503 -9.191 1.00 0.88 N ATOM 0 H GLN A 55 5.760 -2.091 -7.596 1.00 0.22 H new ATOM 0 HA GLN A 55 8.228 -1.775 -6.116 1.00 0.27 H new ATOM 0 HB2 GLN A 55 7.438 -0.584 -8.278 1.00 0.38 H new ATOM 0 HB3 GLN A 55 6.547 0.460 -7.188 1.00 0.38 H new ATOM 0 HG2 GLN A 55 8.648 0.930 -5.913 1.00 0.37 H new ATOM 0 HG3 GLN A 55 9.542 -0.124 -6.991 1.00 0.37 H new ATOM 0 HE21 GLN A 55 8.580 0.571 -9.526 1.00 0.88 H new ATOM 0 HE22 GLN A 55 8.979 2.260 -9.857 1.00 0.88 H new ATOM 821 N VAL A 56 5.352 -0.873 -4.815 1.00 0.25 N ATOM 822 CA VAL A 56 4.755 -0.596 -3.537 1.00 0.27 C ATOM 823 C VAL A 56 5.017 -1.803 -2.628 1.00 0.30 C ATOM 824 O VAL A 56 5.589 -1.656 -1.549 1.00 0.46 O ATOM 825 CB VAL A 56 3.273 -0.284 -3.736 1.00 0.28 C ATOM 826 CG1 VAL A 56 2.578 -0.282 -2.376 1.00 0.42 C ATOM 827 CG2 VAL A 56 3.176 1.139 -4.297 1.00 0.43 C ATOM 0 H VAL A 56 4.694 -0.984 -5.586 1.00 0.25 H new ATOM 0 HA VAL A 56 5.189 0.280 -3.055 1.00 0.27 H new ATOM 0 HB VAL A 56 2.816 -1.018 -4.399 1.00 0.28 H new ATOM 0 HG11 VAL A 56 1.519 -0.060 -2.509 1.00 0.42 H new ATOM 0 HG12 VAL A 56 2.688 -1.261 -1.910 1.00 0.42 H new ATOM 0 HG13 VAL A 56 3.030 0.477 -1.737 1.00 0.42 H new ATOM 0 HG21 VAL A 56 2.129 1.398 -4.453 1.00 0.43 H new ATOM 0 HG22 VAL A 56 3.622 1.840 -3.591 1.00 0.43 H new ATOM 0 HG23 VAL A 56 3.708 1.193 -5.247 1.00 0.43 H new ATOM 837 N GLU A 57 4.630 -3.003 -3.078 1.00 0.22 N ATOM 838 CA GLU A 57 4.840 -4.246 -2.345 1.00 0.19 C ATOM 839 C GLU A 57 6.230 -4.311 -1.732 1.00 0.19 C ATOM 840 O GLU A 57 6.333 -4.447 -0.518 1.00 0.23 O ATOM 841 CB GLU A 57 4.542 -5.462 -3.236 1.00 0.24 C ATOM 842 CG GLU A 57 5.353 -6.729 -2.924 1.00 0.48 C ATOM 843 CD GLU A 57 4.683 -7.984 -3.472 1.00 1.18 C ATOM 844 OE1 GLU A 57 4.106 -7.889 -4.575 1.00 2.44 O ATOM 845 OE2 GLU A 57 4.740 -9.009 -2.755 1.00 2.26 O ATOM 0 H GLU A 57 4.157 -3.134 -3.972 1.00 0.22 H new ATOM 0 HA GLU A 57 4.135 -4.268 -1.514 1.00 0.19 H new ATOM 0 HB2 GLU A 57 3.482 -5.701 -3.151 1.00 0.24 H new ATOM 0 HB3 GLU A 57 4.724 -5.183 -4.274 1.00 0.24 H new ATOM 0 HG2 GLU A 57 6.351 -6.635 -3.351 1.00 0.48 H new ATOM 0 HG3 GLU A 57 5.475 -6.825 -1.845 1.00 0.48 H new ATOM 852 N SER A 58 7.283 -4.178 -2.542 1.00 0.20 N ATOM 853 CA SER A 58 8.656 -4.223 -2.056 1.00 0.23 C ATOM 854 C SER A 58 8.835 -3.327 -0.818 1.00 0.27 C ATOM 855 O SER A 58 9.437 -3.733 0.181 1.00 0.31 O ATOM 856 CB SER A 58 9.602 -3.828 -3.198 1.00 0.27 C ATOM 857 OG SER A 58 10.949 -4.090 -2.853 1.00 0.53 O ATOM 0 H SER A 58 7.204 -4.037 -3.549 1.00 0.20 H new ATOM 0 HA SER A 58 8.900 -5.237 -1.738 1.00 0.23 H new ATOM 0 HB2 SER A 58 9.340 -4.381 -4.100 1.00 0.27 H new ATOM 0 HB3 SER A 58 9.480 -2.769 -3.426 1.00 0.27 H new ATOM 0 HG SER A 58 11.533 -3.832 -3.596 1.00 0.53 H new ATOM 863 N ALA A 59 8.264 -2.119 -0.862 1.00 0.30 N ATOM 864 CA ALA A 59 8.365 -1.163 0.220 1.00 0.34 C ATOM 865 C ALA A 59 7.660 -1.697 1.458 1.00 0.32 C ATOM 866 O ALA A 59 8.216 -1.654 2.549 1.00 0.39 O ATOM 867 CB ALA A 59 7.734 0.163 -0.199 1.00 0.38 C ATOM 0 H ALA A 59 7.719 -1.786 -1.657 1.00 0.30 H new ATOM 0 HA ALA A 59 9.418 -1.004 0.452 1.00 0.34 H new ATOM 0 HB1 ALA A 59 7.813 0.878 0.620 1.00 0.38 H new ATOM 0 HB2 ALA A 59 8.254 0.553 -1.074 1.00 0.38 H new ATOM 0 HB3 ALA A 59 6.683 0.005 -0.443 1.00 0.38 H new ATOM 873 N LEU A 60 6.425 -2.177 1.305 1.00 0.26 N ATOM 874 CA LEU A 60 5.606 -2.620 2.421 1.00 0.23 C ATOM 875 C LEU A 60 6.170 -3.884 3.058 1.00 0.28 C ATOM 876 O LEU A 60 6.181 -4.024 4.283 1.00 0.36 O ATOM 877 CB LEU A 60 4.180 -2.852 1.931 1.00 0.21 C ATOM 878 CG LEU A 60 3.401 -1.532 1.911 1.00 0.46 C ATOM 879 CD1 LEU A 60 3.768 -0.616 0.758 1.00 1.97 C ATOM 880 CD2 LEU A 60 1.918 -1.835 1.805 1.00 1.54 C ATOM 0 H LEU A 60 5.968 -2.267 0.398 1.00 0.26 H new ATOM 0 HA LEU A 60 5.607 -1.846 3.188 1.00 0.23 H new ATOM 0 HB2 LEU A 60 4.198 -3.286 0.931 1.00 0.21 H new ATOM 0 HB3 LEU A 60 3.677 -3.569 2.581 1.00 0.21 H new ATOM 0 HG LEU A 60 3.658 -1.014 2.835 1.00 0.46 H new ATOM 0 HD11 LEU A 60 3.174 0.296 0.814 1.00 1.97 H new ATOM 0 HD12 LEU A 60 4.827 -0.363 0.817 1.00 1.97 H new ATOM 0 HD13 LEU A 60 3.567 -1.122 -0.187 1.00 1.97 H new ATOM 0 HD21 LEU A 60 1.356 -0.901 1.790 1.00 1.54 H new ATOM 0 HD22 LEU A 60 1.725 -2.390 0.887 1.00 1.54 H new ATOM 0 HD23 LEU A 60 1.607 -2.432 2.662 1.00 1.54 H new ATOM 892 N GLN A 61 6.659 -4.793 2.221 1.00 0.28 N ATOM 893 CA GLN A 61 7.360 -5.984 2.668 1.00 0.38 C ATOM 894 C GLN A 61 8.512 -5.554 3.578 1.00 0.46 C ATOM 895 O GLN A 61 8.631 -6.038 4.701 1.00 0.54 O ATOM 896 CB GLN A 61 7.830 -6.803 1.451 1.00 0.39 C ATOM 897 CG GLN A 61 7.303 -8.248 1.455 1.00 0.50 C ATOM 898 CD GLN A 61 6.976 -8.713 0.038 1.00 1.00 C ATOM 899 OE1 GLN A 61 7.869 -8.838 -0.795 1.00 2.35 O ATOM 900 NE2 GLN A 61 5.696 -8.945 -0.241 1.00 0.70 N ATOM 0 H GLN A 61 6.578 -4.720 1.207 1.00 0.28 H new ATOM 0 HA GLN A 61 6.702 -6.635 3.243 1.00 0.38 H new ATOM 0 HB2 GLN A 61 7.503 -6.306 0.538 1.00 0.39 H new ATOM 0 HB3 GLN A 61 8.920 -6.820 1.431 1.00 0.39 H new ATOM 0 HG2 GLN A 61 8.048 -8.910 1.896 1.00 0.50 H new ATOM 0 HG3 GLN A 61 6.411 -8.312 2.078 1.00 0.50 H new ATOM 0 HE21 GLN A 61 4.987 -8.828 0.483 1.00 0.70 H new ATOM 0 HE22 GLN A 61 5.424 -9.240 -1.179 1.00 0.70 H new ATOM 909 N LYS A 62 9.327 -4.598 3.118 1.00 0.48 N ATOM 910 CA LYS A 62 10.435 -4.089 3.914 1.00 0.56 C ATOM 911 C LYS A 62 9.953 -3.306 5.145 1.00 0.52 C ATOM 912 O LYS A 62 10.587 -3.363 6.196 1.00 0.56 O ATOM 913 CB LYS A 62 11.374 -3.276 3.013 1.00 0.63 C ATOM 914 CG LYS A 62 12.705 -2.932 3.700 1.00 1.56 C ATOM 915 CD LYS A 62 12.694 -1.525 4.311 1.00 2.45 C ATOM 916 CE LYS A 62 14.030 -1.259 5.021 1.00 3.60 C ATOM 917 NZ LYS A 62 14.116 0.119 5.542 1.00 4.51 N ATOM 0 H LYS A 62 9.235 -4.165 2.199 1.00 0.48 H new ATOM 0 HA LYS A 62 10.999 -4.929 4.319 1.00 0.56 H new ATOM 0 HB2 LYS A 62 11.575 -3.840 2.102 1.00 0.63 H new ATOM 0 HB3 LYS A 62 10.875 -2.354 2.714 1.00 0.63 H new ATOM 0 HG2 LYS A 62 12.909 -3.664 4.481 1.00 1.56 H new ATOM 0 HG3 LYS A 62 13.516 -3.005 2.975 1.00 1.56 H new ATOM 0 HD2 LYS A 62 12.531 -0.781 3.532 1.00 2.45 H new ATOM 0 HD3 LYS A 62 11.870 -1.432 5.019 1.00 2.45 H new ATOM 0 HE2 LYS A 62 14.150 -1.965 5.843 1.00 3.60 H new ATOM 0 HE3 LYS A 62 14.851 -1.435 4.326 1.00 3.60 H new ATOM 0 HZ1 LYS A 62 15.033 0.255 6.013 1.00 4.51 H new ATOM 0 HZ2 LYS A 62 14.027 0.794 4.756 1.00 4.51 H new ATOM 0 HZ3 LYS A 62 13.348 0.280 6.225 1.00 4.51 H new ATOM 931 N ALA A 63 8.859 -2.547 5.021 1.00 0.47 N ATOM 932 CA ALA A 63 8.263 -1.790 6.118 1.00 0.48 C ATOM 933 C ALA A 63 7.828 -2.737 7.235 1.00 0.53 C ATOM 934 O ALA A 63 7.962 -2.405 8.411 1.00 0.61 O ATOM 935 CB ALA A 63 7.077 -0.959 5.620 1.00 0.45 C ATOM 0 H ALA A 63 8.357 -2.442 4.139 1.00 0.47 H new ATOM 0 HA ALA A 63 9.012 -1.105 6.515 1.00 0.48 H new ATOM 0 HB1 ALA A 63 6.647 -0.403 6.453 1.00 0.45 H new ATOM 0 HB2 ALA A 63 7.417 -0.261 4.855 1.00 0.45 H new ATOM 0 HB3 ALA A 63 6.321 -1.621 5.197 1.00 0.45 H new ATOM 941 N GLY A 64 7.320 -3.909 6.847 1.00 0.55 N ATOM 942 CA GLY A 64 7.067 -5.034 7.730 1.00 0.64 C ATOM 943 C GLY A 64 5.617 -5.493 7.659 1.00 0.63 C ATOM 944 O GLY A 64 5.034 -5.802 8.696 1.00 0.76 O ATOM 0 H GLY A 64 7.068 -4.100 5.877 1.00 0.55 H new ATOM 0 HA2 GLY A 64 7.724 -5.862 7.462 1.00 0.64 H new ATOM 0 HA3 GLY A 64 7.310 -4.754 8.755 1.00 0.64 H new ATOM 948 N TYR A 65 5.032 -5.545 6.456 1.00 0.57 N ATOM 949 CA TYR A 65 3.669 -6.020 6.263 1.00 0.63 C ATOM 950 C TYR A 65 3.648 -7.079 5.166 1.00 0.71 C ATOM 951 O TYR A 65 4.118 -6.829 4.055 1.00 1.25 O ATOM 952 CB TYR A 65 2.741 -4.857 5.900 1.00 0.65 C ATOM 953 CG TYR A 65 2.992 -3.565 6.645 1.00 0.61 C ATOM 954 CD1 TYR A 65 2.873 -3.533 8.045 1.00 1.75 C ATOM 955 CD2 TYR A 65 3.320 -2.394 5.939 1.00 2.08 C ATOM 956 CE1 TYR A 65 3.069 -2.327 8.735 1.00 1.72 C ATOM 957 CE2 TYR A 65 3.463 -1.177 6.626 1.00 2.20 C ATOM 958 CZ TYR A 65 3.301 -1.143 8.020 1.00 0.92 C ATOM 959 OH TYR A 65 3.277 0.049 8.676 1.00 1.20 O ATOM 0 H TYR A 65 5.495 -5.258 5.594 1.00 0.57 H new ATOM 0 HA TYR A 65 3.312 -6.462 7.193 1.00 0.63 H new ATOM 0 HB2 TYR A 65 2.832 -4.663 4.831 1.00 0.65 H new ATOM 0 HB3 TYR A 65 1.712 -5.166 6.082 1.00 0.65 H new ATOM 0 HD1 TYR A 65 2.631 -4.434 8.588 1.00 1.75 H new ATOM 0 HD2 TYR A 65 3.462 -2.430 4.869 1.00 2.08 H new ATOM 0 HE1 TYR A 65 3.041 -2.311 9.815 1.00 1.72 H new ATOM 0 HE2 TYR A 65 3.696 -0.272 6.084 1.00 2.20 H new ATOM 0 HH TYR A 65 3.423 -0.101 9.633 1.00 1.20 H new ATOM 969 N SER A 66 3.087 -8.252 5.459 1.00 0.48 N ATOM 970 CA SER A 66 2.964 -9.319 4.486 1.00 0.41 C ATOM 971 C SER A 66 1.709 -9.053 3.662 1.00 0.38 C ATOM 972 O SER A 66 0.606 -9.027 4.207 1.00 0.61 O ATOM 973 CB SER A 66 2.887 -10.670 5.200 1.00 0.51 C ATOM 974 OG SER A 66 3.992 -10.806 6.074 1.00 1.47 O ATOM 0 H SER A 66 2.708 -8.482 6.378 1.00 0.48 H new ATOM 0 HA SER A 66 3.832 -9.349 3.828 1.00 0.41 H new ATOM 0 HB2 SER A 66 1.955 -10.744 5.761 1.00 0.51 H new ATOM 0 HB3 SER A 66 2.885 -11.479 4.470 1.00 0.51 H new ATOM 0 HG SER A 66 3.942 -11.671 6.533 1.00 1.47 H new ATOM 980 N LEU A 67 1.887 -8.848 2.358 1.00 0.33 N ATOM 981 CA LEU A 67 0.811 -8.713 1.396 1.00 0.39 C ATOM 982 C LEU A 67 1.020 -9.683 0.250 1.00 0.48 C ATOM 983 O LEU A 67 2.068 -10.320 0.157 1.00 0.53 O ATOM 984 CB LEU A 67 0.685 -7.260 0.919 1.00 0.32 C ATOM 985 CG LEU A 67 1.968 -6.619 0.369 1.00 0.33 C ATOM 986 CD1 LEU A 67 2.282 -7.030 -1.069 1.00 0.79 C ATOM 987 CD2 LEU A 67 1.794 -5.100 0.451 1.00 0.74 C ATOM 0 H LEU A 67 2.813 -8.770 1.937 1.00 0.33 H new ATOM 0 HA LEU A 67 -0.135 -8.967 1.874 1.00 0.39 H new ATOM 0 HB2 LEU A 67 -0.080 -7.218 0.144 1.00 0.32 H new ATOM 0 HB3 LEU A 67 0.328 -6.654 1.752 1.00 0.32 H new ATOM 0 HG LEU A 67 2.810 -6.965 0.968 1.00 0.33 H new ATOM 0 HD11 LEU A 67 3.200 -6.542 -1.395 1.00 0.79 H new ATOM 0 HD12 LEU A 67 2.409 -8.111 -1.119 1.00 0.79 H new ATOM 0 HD13 LEU A 67 1.461 -6.731 -1.721 1.00 0.79 H new ATOM 0 HD21 LEU A 67 2.689 -4.610 0.068 1.00 0.74 H new ATOM 0 HD22 LEU A 67 0.932 -4.800 -0.145 1.00 0.74 H new ATOM 0 HD23 LEU A 67 1.637 -4.807 1.489 1.00 0.74 H new ATOM 999 N ARG A 68 0.009 -9.791 -0.614 1.00 0.61 N ATOM 1000 CA ARG A 68 0.058 -10.531 -1.852 1.00 0.73 C ATOM 1001 C ARG A 68 -0.677 -9.637 -2.839 1.00 0.72 C ATOM 1002 O ARG A 68 -1.790 -9.212 -2.523 1.00 0.97 O ATOM 1003 CB ARG A 68 -0.644 -11.892 -1.712 1.00 0.95 C ATOM 1004 CG ARG A 68 -0.483 -12.506 -0.313 1.00 0.59 C ATOM 1005 CD ARG A 68 -0.690 -14.026 -0.252 1.00 1.08 C ATOM 1006 NE ARG A 68 0.379 -14.769 -0.948 1.00 2.07 N ATOM 1007 CZ ARG A 68 0.277 -15.401 -2.130 1.00 3.12 C ATOM 1008 NH1 ARG A 68 -0.809 -15.231 -2.893 1.00 3.52 N ATOM 1009 NH2 ARG A 68 1.263 -16.204 -2.548 1.00 4.31 N ATOM 0 H ARG A 68 -0.894 -9.345 -0.454 1.00 0.61 H new ATOM 0 HA ARG A 68 1.077 -10.757 -2.166 1.00 0.73 H new ATOM 0 HB2 ARG A 68 -1.705 -11.772 -1.931 1.00 0.95 H new ATOM 0 HB3 ARG A 68 -0.241 -12.581 -2.454 1.00 0.95 H new ATOM 0 HG2 ARG A 68 0.515 -12.274 0.058 1.00 0.59 H new ATOM 0 HG3 ARG A 68 -1.193 -12.029 0.362 1.00 0.59 H new ATOM 0 HD2 ARG A 68 -0.729 -14.343 0.790 1.00 1.08 H new ATOM 0 HD3 ARG A 68 -1.652 -14.277 -0.698 1.00 1.08 H new ATOM 0 HE ARG A 68 1.287 -14.807 -0.485 1.00 2.07 H new ATOM 0 HH11 ARG A 68 -1.563 -14.620 -2.578 1.00 3.52 H new ATOM 0 HH12 ARG A 68 -0.883 -15.712 -3.789 1.00 3.52 H new ATOM 0 HH21 ARG A 68 2.093 -16.337 -1.969 1.00 4.31 H new ATOM 0 HH22 ARG A 68 1.185 -16.683 -3.445 1.00 4.31 H new ATOM 1023 N ASP A 69 -0.037 -9.313 -3.963 1.00 0.64 N ATOM 1024 CA ASP A 69 -0.582 -8.516 -5.043 1.00 0.65 C ATOM 1025 C ASP A 69 -2.022 -8.912 -5.321 1.00 0.52 C ATOM 1026 O ASP A 69 -2.289 -10.023 -5.782 1.00 0.75 O ATOM 1027 CB ASP A 69 0.235 -8.781 -6.303 1.00 0.87 C ATOM 1028 CG ASP A 69 -0.165 -7.868 -7.452 1.00 2.07 C ATOM 1029 OD1 ASP A 69 -0.564 -6.717 -7.179 1.00 3.53 O ATOM 1030 OD2 ASP A 69 -0.044 -8.293 -8.621 1.00 2.77 O ATOM 0 H ASP A 69 0.919 -9.617 -4.146 1.00 0.64 H new ATOM 0 HA ASP A 69 -0.544 -7.464 -4.761 1.00 0.65 H new ATOM 0 HB2 ASP A 69 1.294 -8.642 -6.083 1.00 0.87 H new ATOM 0 HB3 ASP A 69 0.106 -9.820 -6.605 1.00 0.87 H new ATOM 1035 N GLU A 70 -2.944 -8.026 -4.977 1.00 0.42 N ATOM 1036 CA GLU A 70 -4.358 -8.311 -5.075 1.00 0.45 C ATOM 1037 C GLU A 70 -4.932 -7.631 -6.315 1.00 0.60 C ATOM 1038 O GLU A 70 -4.358 -6.691 -6.865 1.00 0.90 O ATOM 1039 CB GLU A 70 -5.042 -7.869 -3.785 1.00 0.78 C ATOM 1040 CG GLU A 70 -6.101 -8.837 -3.292 1.00 0.65 C ATOM 1041 CD GLU A 70 -7.231 -8.078 -2.612 1.00 1.91 C ATOM 1042 OE1 GLU A 70 -8.092 -7.572 -3.367 1.00 2.58 O ATOM 1043 OE2 GLU A 70 -7.194 -7.997 -1.368 1.00 3.40 O ATOM 0 H GLU A 70 -2.729 -7.094 -4.624 1.00 0.42 H new ATOM 0 HA GLU A 70 -4.534 -9.380 -5.191 1.00 0.45 H new ATOM 0 HB2 GLU A 70 -4.287 -7.744 -3.009 1.00 0.78 H new ATOM 0 HB3 GLU A 70 -5.501 -6.893 -3.944 1.00 0.78 H new ATOM 0 HG2 GLU A 70 -6.493 -9.415 -4.129 1.00 0.65 H new ATOM 0 HG3 GLU A 70 -5.658 -9.547 -2.594 1.00 0.65 H new ATOM 1050 N GLN A 71 -6.069 -8.145 -6.774 1.00 0.64 N ATOM 1051 CA GLN A 71 -6.739 -7.627 -7.954 1.00 0.75 C ATOM 1052 C GLN A 71 -6.993 -6.117 -7.874 1.00 0.89 C ATOM 1053 O GLN A 71 -7.169 -5.536 -6.801 1.00 1.09 O ATOM 1054 CB GLN A 71 -8.039 -8.388 -8.245 1.00 0.83 C ATOM 1055 CG GLN A 71 -9.070 -8.389 -7.101 1.00 2.10 C ATOM 1056 CD GLN A 71 -9.036 -9.666 -6.266 1.00 3.25 C ATOM 1057 OE1 GLN A 71 -9.106 -10.767 -6.803 1.00 3.89 O ATOM 1058 NE2 GLN A 71 -8.923 -9.554 -4.949 1.00 4.05 N ATOM 0 H GLN A 71 -6.549 -8.932 -6.336 1.00 0.64 H new ATOM 0 HA GLN A 71 -6.057 -7.790 -8.788 1.00 0.75 H new ATOM 0 HB2 GLN A 71 -8.504 -7.955 -9.131 1.00 0.83 H new ATOM 0 HB3 GLN A 71 -7.790 -9.421 -8.488 1.00 0.83 H new ATOM 0 HG2 GLN A 71 -8.885 -7.533 -6.452 1.00 2.10 H new ATOM 0 HG3 GLN A 71 -10.068 -8.262 -7.519 1.00 2.10 H new ATOM 0 HE21 GLN A 71 -8.866 -8.631 -4.519 1.00 4.05 H new ATOM 0 HE22 GLN A 71 -8.893 -10.391 -4.367 1.00 4.05 H new