USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=20 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 17 TYR OH : rot 15:sc= 1.02 USER MOD Set 1.2: A 72 THR OG1 : rot 170:sc= 1.24 USER MOD Set 2.1: A 3 THR OG1 : rot 180:sc= -0.0126 USER MOD Set 2.2: A 6 GLN : amide:sc= 0.512 K(o=0.5,f=-6.8!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 9 SER OG : rot 77:sc= 0.714 USER MOD Single : A 10 ASN : amide:sc= 0.878 K(o=0.88,f=-0.16) USER MOD Single : A 20 ASN : amide:sc= -0.325 K(o=-0.33,f=-1.9) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -113:sc= -0.258 (180deg=-1.83!) USER MOD Single : A 36 ASN : amide:sc= -0.0169 X(o=-0.017,f=-0.035) USER MOD Single : A 37 SER OG : rot -0:sc= 0.327 USER MOD Single : A 40 THR OG1 : rot 90:sc= 1.35 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.919 K(o=0.92,f=-0.011) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= -0.0122 (180deg=-0.139) USER MOD Single : A 53 SER OG : rot 69:sc= 0.529 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.109 K(o=0.11,f=-6.9!) USER MOD Single : A 65 LYS NZ :NH3+ -172:sc=-0.00809 (180deg=-0.0774) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.14) USER MOD Single : A 79 TYR OH : rot 150:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -0:sc= 0.613 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 5.246 -13.559 1.827 1.00 -0.46 N ATOM 14 CA ILE A 2 5.180 -12.206 2.389 1.00 0.04 C ATOM 15 C ILE A 2 4.079 -12.171 3.415 1.00 0.62 C ATOM 16 O ILE A 2 3.200 -13.020 3.362 1.00 -0.50 O ATOM 17 CB ILE A 2 5.002 -11.176 1.233 1.00 -0.01 C ATOM 18 CG1 ILE A 2 6.128 -11.383 0.172 1.00 -0.05 C ATOM 19 CG2 ILE A 2 4.916 -9.698 1.722 1.00 -0.09 C ATOM 20 CD1 ILE A 2 7.588 -11.374 0.707 1.00 -0.09 C ATOM 0 HA ILE A 2 6.103 -11.931 2.900 1.00 0.04 H new ATOM 0 HB ILE A 2 4.035 -11.367 0.768 1.00 -0.01 H new ATOM 0 HG12 ILE A 2 5.954 -12.334 -0.331 1.00 -0.05 H new ATOM 0 HG13 ILE A 2 6.035 -10.602 -0.582 1.00 -0.05 H new ATOM 0 HG21 ILE A 2 4.793 -9.037 0.864 1.00 -0.09 H new ATOM 0 HG22 ILE A 2 4.064 -9.585 2.392 1.00 -0.09 H new ATOM 0 HG23 ILE A 2 5.832 -9.436 2.253 1.00 -0.09 H new ATOM 0 HD11 ILE A 2 8.280 -11.527 -0.121 1.00 -0.09 H new ATOM 0 HD12 ILE A 2 7.796 -10.415 1.181 1.00 -0.09 H new ATOM 0 HD13 ILE A 2 7.713 -12.174 1.437 1.00 -0.09 H new ATOM 32 N THR A 3 4.112 -11.216 4.372 1.00 -0.46 N ATOM 33 CA THR A 3 3.093 -11.170 5.418 1.00 0.04 C ATOM 34 C THR A 3 2.778 -9.731 5.749 1.00 0.62 C ATOM 35 O THR A 3 3.657 -8.891 5.609 1.00 -0.50 O ATOM 36 CB THR A 3 3.615 -11.906 6.683 1.00 0.17 C ATOM 37 OG1 THR A 3 4.345 -13.087 6.309 1.00 -0.55 O ATOM 38 CG2 THR A 3 2.486 -12.277 7.679 1.00 -0.19 C ATOM 0 H THR A 3 4.822 -10.486 4.433 1.00 -0.46 H new ATOM 0 HA THR A 3 2.186 -11.663 5.069 1.00 0.04 H new ATOM 0 HB THR A 3 4.276 -11.208 7.196 1.00 0.17 H new ATOM 0 HG1 THR A 3 4.669 -13.540 7.115 1.00 -0.55 H new ATOM 0 HG21 THR A 3 2.915 -12.788 8.541 1.00 -0.19 H new ATOM 0 HG22 THR A 3 1.980 -11.370 8.010 1.00 -0.19 H new ATOM 0 HG23 THR A 3 1.768 -12.934 7.187 1.00 -0.19 H new ATOM 46 N CYS A 4 1.539 -9.421 6.182 1.00 -0.46 N ATOM 47 CA CYS A 4 1.202 -8.029 6.464 1.00 0.04 C ATOM 48 C CYS A 4 2.155 -7.359 7.434 1.00 0.62 C ATOM 49 O CYS A 4 2.371 -6.167 7.291 1.00 -0.50 O ATOM 50 CB CYS A 4 -0.252 -7.919 6.994 1.00 -0.10 C ATOM 51 SG CYS A 4 -1.494 -8.672 5.879 1.00 0.82 S ATOM 0 H CYS A 4 0.788 -10.093 6.337 1.00 -0.46 H new ATOM 0 HA CYS A 4 1.295 -7.499 5.516 1.00 0.04 H new ATOM 0 HB2 CYS A 4 -0.312 -8.401 7.970 1.00 -0.10 H new ATOM 0 HB3 CYS A 4 -0.498 -6.867 7.142 1.00 -0.10 H new ATOM 56 N GLY A 5 2.748 -8.069 8.419 1.00 -0.46 N ATOM 57 CA GLY A 5 3.646 -7.396 9.361 1.00 0.04 C ATOM 58 C GLY A 5 4.734 -6.608 8.664 1.00 0.62 C ATOM 59 O GLY A 5 4.932 -5.443 8.980 1.00 -0.50 O ATOM 0 H GLY A 5 2.624 -9.069 8.574 1.00 -0.46 H new ATOM 0 HA2 GLY A 5 3.066 -6.725 9.995 1.00 0.04 H new ATOM 0 HA3 GLY A 5 4.102 -8.138 10.016 1.00 0.04 H new ATOM 63 N GLN A 6 5.454 -7.226 7.702 1.00 -0.46 N ATOM 64 CA GLN A 6 6.488 -6.490 6.966 1.00 0.04 C ATOM 65 C GLN A 6 5.895 -5.275 6.281 1.00 0.62 C ATOM 66 O GLN A 6 6.557 -4.253 6.162 1.00 -0.50 O ATOM 67 CB GLN A 6 7.156 -7.333 5.836 1.00 -0.10 C ATOM 68 CG GLN A 6 7.952 -8.571 6.343 1.00 -0.10 C ATOM 69 CD GLN A 6 7.078 -9.776 6.593 1.00 0.68 C ATOM 70 OE1 GLN A 6 6.346 -9.752 7.573 1.00 -0.47 O ATOM 71 NE2 GLN A 6 7.107 -10.838 5.760 1.00 -0.87 N ATOM 0 H GLN A 6 5.340 -8.202 7.428 1.00 -0.46 H new ATOM 0 HA GLN A 6 7.231 -6.222 7.717 1.00 0.04 H new ATOM 0 HB2 GLN A 6 6.383 -7.671 5.146 1.00 -0.10 H new ATOM 0 HB3 GLN A 6 7.830 -6.690 5.270 1.00 -0.10 H new ATOM 0 HG2 GLN A 6 8.716 -8.830 5.609 1.00 -0.10 H new ATOM 0 HG3 GLN A 6 8.471 -8.309 7.265 1.00 -0.10 H new ATOM 0 HE21 GLN A 6 7.726 -10.834 4.949 1.00 -0.87 H new ATOM 0 HE22 GLN A 6 6.510 -11.645 5.941 1.00 -0.87 H new ATOM 80 N VAL A 7 4.639 -5.394 5.801 1.00 -0.46 N ATOM 81 CA VAL A 7 4.039 -4.336 4.992 1.00 0.04 C ATOM 82 C VAL A 7 3.646 -3.180 5.892 1.00 0.62 C ATOM 83 O VAL A 7 4.035 -2.054 5.627 1.00 -0.50 O ATOM 84 CB VAL A 7 2.843 -4.934 4.196 1.00 -0.01 C ATOM 85 CG1 VAL A 7 2.137 -3.858 3.343 1.00 -0.09 C ATOM 86 CG2 VAL A 7 3.264 -6.133 3.287 1.00 -0.09 C ATOM 0 H VAL A 7 4.037 -6.202 5.961 1.00 -0.46 H new ATOM 0 HA VAL A 7 4.746 -3.939 4.264 1.00 0.04 H new ATOM 0 HB VAL A 7 2.145 -5.311 4.944 1.00 -0.01 H new ATOM 0 HG11 VAL A 7 1.307 -4.311 2.801 1.00 -0.09 H new ATOM 0 HG12 VAL A 7 1.759 -3.069 3.993 1.00 -0.09 H new ATOM 0 HG13 VAL A 7 2.846 -3.434 2.632 1.00 -0.09 H new ATOM 0 HG21 VAL A 7 2.391 -6.511 2.755 1.00 -0.09 H new ATOM 0 HG22 VAL A 7 4.011 -5.799 2.567 1.00 -0.09 H new ATOM 0 HG23 VAL A 7 3.685 -6.927 3.904 1.00 -0.09 H new ATOM 96 N THR A 8 2.886 -3.448 6.978 1.00 -0.46 N ATOM 97 CA THR A 8 2.519 -2.391 7.924 1.00 0.04 C ATOM 98 C THR A 8 3.764 -1.714 8.463 1.00 0.62 C ATOM 99 O THR A 8 3.762 -0.505 8.639 1.00 -0.50 O ATOM 100 CB THR A 8 1.700 -3.020 9.089 1.00 0.17 C ATOM 101 OG1 THR A 8 0.746 -3.923 8.499 1.00 -0.55 O ATOM 102 CG2 THR A 8 0.939 -1.963 9.929 1.00 -0.19 C ATOM 0 H THR A 8 2.524 -4.373 7.211 1.00 -0.46 H new ATOM 0 HA THR A 8 1.915 -1.639 7.417 1.00 0.04 H new ATOM 0 HB THR A 8 2.389 -3.524 9.766 1.00 0.17 H new ATOM 0 HG1 THR A 8 0.211 -4.341 9.206 1.00 -0.55 H new ATOM 0 HG21 THR A 8 0.386 -2.461 10.726 1.00 -0.19 H new ATOM 0 HG22 THR A 8 1.652 -1.262 10.364 1.00 -0.19 H new ATOM 0 HG23 THR A 8 0.243 -1.421 9.288 1.00 -0.19 H new ATOM 110 N SER A 9 4.845 -2.486 8.729 1.00 -0.46 N ATOM 111 CA SER A 9 6.062 -1.896 9.296 1.00 0.04 C ATOM 112 C SER A 9 6.694 -0.928 8.318 1.00 0.62 C ATOM 113 O SER A 9 6.948 0.214 8.666 1.00 -0.50 O ATOM 114 CB SER A 9 7.117 -2.974 9.676 1.00 0.02 C ATOM 115 OG SER A 9 6.632 -3.874 10.690 1.00 -0.55 O ATOM 0 H SER A 9 4.892 -3.491 8.562 1.00 -0.46 H new ATOM 0 HA SER A 9 5.757 -1.372 10.202 1.00 0.04 H new ATOM 0 HB2 SER A 9 7.389 -3.543 8.787 1.00 0.02 H new ATOM 0 HB3 SER A 9 8.024 -2.484 10.031 1.00 0.02 H new ATOM 0 HG SER A 9 6.009 -4.514 10.288 1.00 -0.55 H new ATOM 121 N ASN A 10 6.964 -1.365 7.069 1.00 -0.46 N ATOM 122 CA ASN A 10 7.569 -0.452 6.093 1.00 0.04 C ATOM 123 C ASN A 10 6.658 0.730 5.850 1.00 0.62 C ATOM 124 O ASN A 10 7.146 1.848 5.772 1.00 -0.50 O ATOM 125 CB ASN A 10 7.802 -1.136 4.726 1.00 -0.09 C ATOM 126 CG ASN A 10 9.037 -1.995 4.696 1.00 0.68 C ATOM 127 OD1 ASN A 10 10.108 -1.451 4.452 1.00 -0.47 O ATOM 128 ND2 ASN A 10 8.950 -3.318 4.928 1.00 -0.87 N ATOM 0 H ASN A 10 6.779 -2.308 6.728 1.00 -0.46 H new ATOM 0 HA ASN A 10 8.525 -0.139 6.513 1.00 0.04 H new ATOM 0 HB2 ASN A 10 6.935 -1.749 4.481 1.00 -0.09 H new ATOM 0 HB3 ASN A 10 7.880 -0.371 3.953 1.00 -0.09 H new ATOM 0 HD21 ASN A 10 9.790 -3.896 4.903 1.00 -0.87 H new ATOM 0 HD22 ASN A 10 8.044 -3.742 5.128 1.00 -0.87 H new ATOM 135 N LEU A 11 5.326 0.515 5.729 1.00 -0.46 N ATOM 136 CA LEU A 11 4.415 1.638 5.507 1.00 0.04 C ATOM 137 C LEU A 11 4.076 2.415 6.760 1.00 0.62 C ATOM 138 O LEU A 11 3.111 3.165 6.714 1.00 -0.50 O ATOM 139 CB LEU A 11 3.210 1.235 4.582 1.00 -0.06 C ATOM 140 CG LEU A 11 3.621 1.282 3.070 1.00 -0.01 C ATOM 141 CD1 LEU A 11 4.292 -0.041 2.614 1.00 -0.11 C ATOM 142 CD2 LEU A 11 2.525 1.759 2.067 1.00 -0.11 C ATOM 0 H LEU A 11 4.879 -0.400 5.781 1.00 -0.46 H new ATOM 0 HA LEU A 11 4.956 2.389 4.931 1.00 0.04 H new ATOM 0 HB2 LEU A 11 2.870 0.232 4.839 1.00 -0.06 H new ATOM 0 HB3 LEU A 11 2.372 1.910 4.756 1.00 -0.06 H new ATOM 0 HG LEU A 11 4.360 2.083 3.031 1.00 -0.01 H new ATOM 0 HD11 LEU A 11 4.562 0.032 1.560 1.00 -0.11 H new ATOM 0 HD12 LEU A 11 5.189 -0.217 3.207 1.00 -0.11 H new ATOM 0 HD13 LEU A 11 3.597 -0.869 2.754 1.00 -0.11 H new ATOM 0 HD21 LEU A 11 2.929 1.749 1.055 1.00 -0.11 H new ATOM 0 HD22 LEU A 11 1.666 1.090 2.122 1.00 -0.11 H new ATOM 0 HD23 LEU A 11 2.214 2.772 2.323 1.00 -0.11 H new ATOM 154 N ALA A 12 4.837 2.338 7.876 1.00 -0.46 N ATOM 155 CA ALA A 12 4.408 3.038 9.090 1.00 0.04 C ATOM 156 C ALA A 12 4.165 4.519 8.861 1.00 0.62 C ATOM 157 O ALA A 12 3.072 4.953 9.191 1.00 -0.50 O ATOM 158 CB ALA A 12 5.318 2.816 10.335 1.00 -0.10 C ATOM 0 H ALA A 12 5.712 1.820 7.954 1.00 -0.46 H new ATOM 0 HA ALA A 12 3.455 2.566 9.329 1.00 0.04 H new ATOM 0 HB1 ALA A 12 4.919 3.374 11.182 1.00 -0.10 H new ATOM 0 HB2 ALA A 12 5.346 1.754 10.581 1.00 -0.10 H new ATOM 0 HB3 ALA A 12 6.327 3.164 10.115 1.00 -0.10 H new ATOM 164 N PRO A 13 5.081 5.367 8.315 1.00 -0.23 N ATOM 165 CA PRO A 13 4.752 6.784 8.203 1.00 0.04 C ATOM 166 C PRO A 13 3.681 6.996 7.152 1.00 0.53 C ATOM 167 O PRO A 13 2.907 7.934 7.255 1.00 -0.50 O ATOM 168 CB PRO A 13 6.114 7.398 7.784 1.00 -0.12 C ATOM 169 CG PRO A 13 7.158 6.256 7.902 1.00 -0.12 C ATOM 170 CD PRO A 13 6.367 4.931 7.779 1.00 -0.01 C ATOM 0 HA PRO A 13 4.346 7.230 9.111 1.00 0.04 H new ATOM 0 HB2 PRO A 13 6.071 7.782 6.765 1.00 -0.12 H new ATOM 0 HB3 PRO A 13 6.379 8.236 8.429 1.00 -0.12 H new ATOM 0 HG2 PRO A 13 7.910 6.334 7.117 1.00 -0.12 H new ATOM 0 HG3 PRO A 13 7.685 6.308 8.855 1.00 -0.12 H new ATOM 0 HD2 PRO A 13 6.294 4.581 6.749 1.00 -0.01 H new ATOM 0 HD3 PRO A 13 6.811 4.123 8.360 1.00 -0.01 H new ATOM 178 N CYS A 14 3.603 6.120 6.122 1.00 -0.46 N ATOM 179 CA CYS A 14 2.552 6.256 5.122 1.00 0.04 C ATOM 180 C CYS A 14 1.204 6.131 5.812 1.00 0.62 C ATOM 181 O CYS A 14 0.282 6.846 5.451 1.00 -0.50 O ATOM 182 CB CYS A 14 2.632 5.141 4.044 1.00 -0.10 C ATOM 183 SG CYS A 14 3.967 5.199 2.791 1.00 0.82 S ATOM 0 H CYS A 14 4.241 5.338 5.975 1.00 -0.46 H new ATOM 0 HA CYS A 14 2.676 7.225 4.638 1.00 0.04 H new ATOM 0 HB2 CYS A 14 2.713 4.187 4.565 1.00 -0.10 H new ATOM 0 HB3 CYS A 14 1.682 5.133 3.510 1.00 -0.10 H new ATOM 188 N LEU A 15 1.039 5.235 6.809 1.00 -0.46 N ATOM 189 CA LEU A 15 -0.260 5.127 7.487 1.00 0.04 C ATOM 190 C LEU A 15 -0.657 6.491 8.013 1.00 0.62 C ATOM 191 O LEU A 15 -1.788 6.925 7.849 1.00 -0.50 O ATOM 192 CB LEU A 15 -0.282 4.109 8.668 1.00 -0.06 C ATOM 193 CG LEU A 15 0.188 2.674 8.296 1.00 -0.01 C ATOM 194 CD1 LEU A 15 0.086 1.717 9.513 1.00 -0.11 C ATOM 195 CD2 LEU A 15 -0.543 2.086 7.059 1.00 -0.11 C ATOM 0 H LEU A 15 1.762 4.601 7.149 1.00 -0.46 H new ATOM 0 HA LEU A 15 -0.964 4.755 6.742 1.00 0.04 H new ATOM 0 HB2 LEU A 15 0.352 4.488 9.469 1.00 -0.06 H new ATOM 0 HB3 LEU A 15 -1.296 4.054 9.064 1.00 -0.06 H new ATOM 0 HG LEU A 15 1.237 2.765 8.012 1.00 -0.01 H new ATOM 0 HD11 LEU A 15 0.421 0.721 9.222 1.00 -0.11 H new ATOM 0 HD12 LEU A 15 0.714 2.089 10.322 1.00 -0.11 H new ATOM 0 HD13 LEU A 15 -0.949 1.667 9.851 1.00 -0.11 H new ATOM 0 HD21 LEU A 15 -0.166 1.084 6.856 1.00 -0.11 H new ATOM 0 HD22 LEU A 15 -1.614 2.038 7.258 1.00 -0.11 H new ATOM 0 HD23 LEU A 15 -0.363 2.723 6.193 1.00 -0.11 H new ATOM 207 N ALA A 16 0.298 7.202 8.643 1.00 -0.46 N ATOM 208 CA ALA A 16 -0.014 8.531 9.165 1.00 0.04 C ATOM 209 C ALA A 16 -0.475 9.446 8.039 1.00 0.62 C ATOM 210 O ALA A 16 -1.415 10.209 8.207 1.00 -0.50 O ATOM 211 CB ALA A 16 1.219 9.121 9.905 1.00 -0.10 C ATOM 0 H ALA A 16 1.256 6.887 8.796 1.00 -0.46 H new ATOM 0 HA ALA A 16 -0.829 8.448 9.884 1.00 0.04 H new ATOM 0 HB1 ALA A 16 0.973 10.111 10.289 1.00 -0.10 H new ATOM 0 HB2 ALA A 16 1.493 8.468 10.734 1.00 -0.10 H new ATOM 0 HB3 ALA A 16 2.057 9.198 9.212 1.00 -0.10 H new ATOM 217 N TYR A 17 0.182 9.372 6.857 1.00 -0.46 N ATOM 218 CA TYR A 17 -0.256 10.154 5.694 1.00 0.04 C ATOM 219 C TYR A 17 -1.639 9.777 5.226 1.00 0.62 C ATOM 220 O TYR A 17 -2.391 10.659 4.838 1.00 -0.50 O ATOM 221 CB TYR A 17 0.723 9.925 4.516 1.00 -0.10 C ATOM 222 CG TYR A 17 0.232 10.479 3.174 1.00 -0.03 C ATOM 223 CD1 TYR A 17 0.346 11.850 2.908 1.00 0.00 C ATOM 224 CD2 TYR A 17 -0.312 9.633 2.196 1.00 0.00 C ATOM 225 CE1 TYR A 17 0.094 12.334 1.627 1.00 -0.26 C ATOM 226 CE2 TYR A 17 -0.557 10.118 0.909 1.00 -0.26 C ATOM 227 CZ TYR A 17 -0.350 11.473 0.617 1.00 0.46 C ATOM 228 OH TYR A 17 -0.587 11.979 -0.658 1.00 -0.53 O ATOM 0 H TYR A 17 1.002 8.788 6.692 1.00 -0.46 H new ATOM 0 HA TYR A 17 -0.271 11.198 6.007 1.00 0.04 H new ATOM 0 HB2 TYR A 17 1.680 10.387 4.759 1.00 -0.10 H new ATOM 0 HB3 TYR A 17 0.903 8.855 4.411 1.00 -0.10 H new ATOM 0 HD1 TYR A 17 0.629 12.531 3.697 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.542 8.606 2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.242 13.382 1.411 1.00 -0.26 H new ATOM 0 HE2 TYR A 17 -0.907 9.448 0.138 1.00 -0.26 H new ATOM 0 HH TYR A 17 -0.178 12.866 -0.739 1.00 -0.53 H new ATOM 238 N LEU A 18 -2.014 8.482 5.256 1.00 -0.46 N ATOM 239 CA LEU A 18 -3.373 8.112 4.854 1.00 0.04 C ATOM 240 C LEU A 18 -4.377 8.756 5.785 1.00 0.62 C ATOM 241 O LEU A 18 -5.410 9.231 5.334 1.00 -0.50 O ATOM 242 CB LEU A 18 -3.592 6.577 4.934 1.00 -0.06 C ATOM 243 CG LEU A 18 -2.689 5.732 3.992 1.00 -0.01 C ATOM 244 CD1 LEU A 18 -2.877 4.224 4.311 1.00 -0.11 C ATOM 245 CD2 LEU A 18 -3.031 5.995 2.501 1.00 -0.11 C ATOM 0 H LEU A 18 -1.417 7.707 5.543 1.00 -0.46 H new ATOM 0 HA LEU A 18 -3.507 8.451 3.827 1.00 0.04 H new ATOM 0 HB2 LEU A 18 -3.421 6.254 5.961 1.00 -0.06 H new ATOM 0 HB3 LEU A 18 -4.635 6.362 4.701 1.00 -0.06 H new ATOM 0 HG LEU A 18 -1.652 6.022 4.160 1.00 -0.01 H new ATOM 0 HD11 LEU A 18 -2.244 3.631 3.651 1.00 -0.11 H new ATOM 0 HD12 LEU A 18 -2.599 4.034 5.348 1.00 -0.11 H new ATOM 0 HD13 LEU A 18 -3.920 3.947 4.159 1.00 -0.11 H new ATOM 0 HD21 LEU A 18 -2.383 5.390 1.867 1.00 -0.11 H new ATOM 0 HD22 LEU A 18 -4.072 5.730 2.314 1.00 -0.11 H new ATOM 0 HD23 LEU A 18 -2.879 7.050 2.273 1.00 -0.11 H new ATOM 257 N ARG A 19 -4.078 8.788 7.101 1.00 -0.46 N ATOM 258 CA ARG A 19 -4.953 9.481 8.050 1.00 0.04 C ATOM 259 C ARG A 19 -4.984 10.983 7.813 1.00 0.62 C ATOM 260 O ARG A 19 -5.825 11.642 8.403 1.00 -0.50 O ATOM 261 CB ARG A 19 -4.493 9.111 9.492 1.00 -0.08 C ATOM 262 CG ARG A 19 -5.435 9.643 10.608 1.00 -0.10 C ATOM 263 CD ARG A 19 -5.063 9.026 11.986 1.00 -0.23 C ATOM 264 NE ARG A 19 -5.817 9.631 13.087 1.00 -0.32 N ATOM 265 CZ ARG A 19 -5.752 9.219 14.333 1.00 0.76 C ATOM 266 NH1 ARG A 19 -5.003 8.211 14.711 1.00 -0.62 N ATOM 267 NH2 ARG A 19 -6.464 9.834 15.246 1.00 -0.62 N ATOM 0 H ARG A 19 -3.255 8.351 7.517 1.00 -0.46 H new ATOM 0 HA ARG A 19 -5.983 9.154 7.906 1.00 0.04 H new ATOM 0 HB2 ARG A 19 -4.425 8.026 9.574 1.00 -0.08 H new ATOM 0 HB3 ARG A 19 -3.491 9.507 9.656 1.00 -0.08 H new ATOM 0 HG2 ARG A 19 -5.366 10.730 10.661 1.00 -0.10 H new ATOM 0 HG3 ARG A 19 -6.469 9.401 10.363 1.00 -0.10 H new ATOM 0 HD2 ARG A 19 -5.253 7.953 11.965 1.00 -0.23 H new ATOM 0 HD3 ARG A 19 -3.996 9.157 12.164 1.00 -0.23 H new ATOM 0 HE ARG A 19 -6.429 10.419 12.874 1.00 -0.32 H new ATOM 0 HH11 ARG A 19 -4.438 7.710 14.025 1.00 -0.62 H new ATOM 0 HH12 ARG A 19 -4.986 7.928 15.691 1.00 -0.62 H new ATOM 0 HH21 ARG A 19 -7.058 10.621 14.985 1.00 -0.62 H new ATOM 0 HH22 ARG A 19 -6.424 9.526 16.217 1.00 -0.62 H new ATOM 281 N ASN A 20 -4.098 11.563 6.966 1.00 -0.46 N ATOM 282 CA ASN A 20 -4.086 13.009 6.726 1.00 0.04 C ATOM 283 C ASN A 20 -3.745 13.714 8.015 1.00 0.62 C ATOM 284 O ASN A 20 -4.519 14.533 8.486 1.00 -0.50 O ATOM 285 CB ASN A 20 -5.381 13.534 6.047 1.00 -0.09 C ATOM 286 CG ASN A 20 -5.259 15.006 5.725 1.00 0.68 C ATOM 287 OD1 ASN A 20 -4.288 15.382 5.081 1.00 -0.47 O ATOM 288 ND2 ASN A 20 -6.193 15.885 6.133 1.00 -0.87 N ATOM 0 H ASN A 20 -3.390 11.046 6.445 1.00 -0.46 H new ATOM 0 HA ASN A 20 -3.311 13.237 5.994 1.00 0.04 H new ATOM 0 HB2 ASN A 20 -5.571 12.972 5.133 1.00 -0.09 H new ATOM 0 HB3 ASN A 20 -6.234 13.371 6.705 1.00 -0.09 H new ATOM 0 HD21 ASN A 20 -6.096 16.875 5.906 1.00 -0.87 H new ATOM 0 HD22 ASN A 20 -6.998 15.561 6.669 1.00 -0.87 H new ATOM 295 N THR A 21 -2.558 13.396 8.585 1.00 -0.46 N ATOM 296 CA THR A 21 -2.128 14.056 9.823 1.00 0.04 C ATOM 297 C THR A 21 -0.631 13.963 10.056 1.00 0.62 C ATOM 298 O THR A 21 -0.042 15.004 10.312 1.00 -0.50 O ATOM 299 CB THR A 21 -2.926 13.567 11.068 1.00 0.17 C ATOM 300 OG1 THR A 21 -2.532 14.284 12.250 1.00 -0.55 O ATOM 301 CG2 THR A 21 -2.701 12.067 11.364 1.00 -0.19 C ATOM 0 H THR A 21 -1.904 12.706 8.215 1.00 -0.46 H new ATOM 0 HA THR A 21 -2.359 15.112 9.683 1.00 0.04 H new ATOM 0 HB THR A 21 -3.974 13.745 10.827 1.00 0.17 H new ATOM 0 HG1 THR A 21 -3.049 13.959 13.017 1.00 -0.55 H new ATOM 0 HG21 THR A 21 -3.280 11.778 12.241 1.00 -0.19 H new ATOM 0 HG22 THR A 21 -3.021 11.475 10.507 1.00 -0.19 H new ATOM 0 HG23 THR A 21 -1.643 11.888 11.553 1.00 -0.19 H new ATOM 309 N GLY A 22 0.026 12.776 9.975 1.00 -0.46 N ATOM 310 CA GLY A 22 1.474 12.727 10.189 1.00 0.04 C ATOM 311 C GLY A 22 2.174 12.702 8.848 1.00 0.62 C ATOM 312 O GLY A 22 1.603 12.142 7.919 1.00 -0.50 O ATOM 0 H GLY A 22 -0.414 11.879 9.770 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 1.798 13.593 10.766 1.00 0.04 H new ATOM 0 HA3 GLY A 22 1.739 11.842 10.767 1.00 0.04 H new ATOM 316 N PRO A 23 3.389 13.275 8.675 1.00 -0.23 N ATOM 317 CA PRO A 23 3.987 13.342 7.348 1.00 0.04 C ATOM 318 C PRO A 23 4.498 12.020 6.814 1.00 0.53 C ATOM 319 O PRO A 23 5.138 11.306 7.559 1.00 -0.50 O ATOM 320 CB PRO A 23 5.144 14.337 7.627 1.00 -0.12 C ATOM 321 CG PRO A 23 5.475 14.135 9.122 1.00 -0.12 C ATOM 322 CD PRO A 23 4.090 13.929 9.765 1.00 -0.01 C ATOM 0 HA PRO A 23 3.279 13.634 6.572 1.00 0.04 H new ATOM 0 HB2 PRO A 23 6.009 14.127 6.997 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 4.842 15.364 7.422 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 6.123 13.273 9.278 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 5.989 15.000 9.541 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 4.136 13.309 10.660 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 3.622 14.870 10.053 1.00 -0.01 H new ATOM 330 N LEU A 24 4.262 11.665 5.534 1.00 -0.46 N ATOM 331 CA LEU A 24 4.859 10.469 4.942 1.00 0.04 C ATOM 332 C LEU A 24 6.368 10.508 4.983 1.00 0.62 C ATOM 333 O LEU A 24 6.966 9.450 5.082 1.00 -0.50 O ATOM 334 CB LEU A 24 4.462 10.161 3.465 1.00 -0.06 C ATOM 335 CG LEU A 24 4.883 11.202 2.380 1.00 -0.01 C ATOM 336 CD1 LEU A 24 4.913 10.497 0.998 1.00 -0.11 C ATOM 337 CD2 LEU A 24 3.962 12.458 2.310 1.00 -0.11 C ATOM 0 H LEU A 24 3.663 12.193 4.899 1.00 -0.46 H new ATOM 0 HA LEU A 24 4.448 9.679 5.571 1.00 0.04 H new ATOM 0 HB2 LEU A 24 4.893 9.197 3.194 1.00 -0.06 H new ATOM 0 HB3 LEU A 24 3.379 10.049 3.423 1.00 -0.06 H new ATOM 0 HG LEU A 24 5.869 11.572 2.662 1.00 -0.01 H new ATOM 0 HD11 LEU A 24 5.206 11.213 0.230 1.00 -0.11 H new ATOM 0 HD12 LEU A 24 5.632 9.678 1.023 1.00 -0.11 H new ATOM 0 HD13 LEU A 24 3.923 10.104 0.769 1.00 -0.11 H new ATOM 0 HD21 LEU A 24 4.323 13.131 1.532 1.00 -0.11 H new ATOM 0 HD22 LEU A 24 2.943 12.149 2.079 1.00 -0.11 H new ATOM 0 HD23 LEU A 24 3.976 12.973 3.270 1.00 -0.11 H new ATOM 349 N GLY A 25 7.015 11.686 4.880 1.00 -0.46 N ATOM 350 CA GLY A 25 8.472 11.723 4.882 1.00 0.04 C ATOM 351 C GLY A 25 9.092 10.721 3.933 1.00 0.62 C ATOM 352 O GLY A 25 8.648 10.660 2.797 1.00 -0.50 O ATOM 0 H GLY A 25 6.559 12.594 4.797 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 8.804 12.725 4.611 1.00 0.04 H new ATOM 0 HA3 GLY A 25 8.833 11.530 5.892 1.00 0.04 H new ATOM 356 N ARG A 26 10.102 9.925 4.364 1.00 -0.46 N ATOM 357 CA ARG A 26 10.761 8.985 3.454 1.00 0.04 C ATOM 358 C ARG A 26 10.106 7.614 3.470 1.00 0.62 C ATOM 359 O ARG A 26 10.790 6.629 3.239 1.00 -0.50 O ATOM 360 CB ARG A 26 12.281 8.908 3.790 1.00 -0.08 C ATOM 361 CG ARG A 26 12.972 10.301 3.729 1.00 -0.10 C ATOM 362 CD ARG A 26 14.458 10.224 4.181 1.00 -0.23 C ATOM 363 NE ARG A 26 15.089 11.548 4.098 1.00 -0.32 N ATOM 364 CZ ARG A 26 15.545 12.094 2.990 1.00 0.76 C ATOM 365 NH1 ARG A 26 15.475 11.511 1.818 1.00 -0.62 N ATOM 366 NH2 ARG A 26 16.097 13.282 3.050 1.00 -0.62 N ATOM 0 H ARG A 26 10.464 9.921 5.317 1.00 -0.46 H new ATOM 0 HA ARG A 26 10.648 9.357 2.436 1.00 0.04 H new ATOM 0 HB2 ARG A 26 12.409 8.485 4.786 1.00 -0.08 H new ATOM 0 HB3 ARG A 26 12.771 8.231 3.091 1.00 -0.08 H new ATOM 0 HG2 ARG A 26 12.920 10.689 2.712 1.00 -0.10 H new ATOM 0 HG3 ARG A 26 12.433 11.003 4.366 1.00 -0.10 H new ATOM 0 HD2 ARG A 26 14.515 9.851 5.204 1.00 -0.23 H new ATOM 0 HD3 ARG A 26 14.999 9.516 3.553 1.00 -0.23 H new ATOM 0 HE ARG A 26 15.181 12.083 4.961 1.00 -0.32 H new ATOM 0 HH11 ARG A 26 15.051 10.587 1.732 1.00 -0.62 H new ATOM 0 HH12 ARG A 26 15.845 11.981 0.992 1.00 -0.62 H new ATOM 0 HH21 ARG A 26 16.167 13.767 3.945 1.00 -0.62 H new ATOM 0 HH22 ARG A 26 16.456 13.721 2.202 1.00 -0.62 H new ATOM 380 N CYS A 27 8.776 7.498 3.706 1.00 -0.46 N ATOM 381 CA CYS A 27 8.119 6.190 3.623 1.00 0.04 C ATOM 382 C CYS A 27 8.378 5.559 2.273 1.00 0.62 C ATOM 383 O CYS A 27 8.581 4.357 2.193 1.00 -0.50 O ATOM 384 CB CYS A 27 6.580 6.362 3.748 1.00 -0.10 C ATOM 385 SG CYS A 27 5.716 4.758 3.734 1.00 0.82 S ATOM 0 H CYS A 27 8.161 8.275 3.948 1.00 -0.46 H new ATOM 0 HA CYS A 27 8.514 5.567 4.426 1.00 0.04 H new ATOM 0 HB2 CYS A 27 6.347 6.892 4.672 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 6.215 6.978 2.926 1.00 -0.10 H new ATOM 390 N CYS A 28 8.346 6.377 1.196 1.00 -0.46 N ATOM 391 CA CYS A 28 8.425 5.846 -0.167 1.00 0.04 C ATOM 392 C CYS A 28 9.546 4.840 -0.331 1.00 0.62 C ATOM 393 O CYS A 28 9.361 3.852 -1.025 1.00 -0.50 O ATOM 394 CB CYS A 28 8.584 6.980 -1.217 1.00 -0.10 C ATOM 395 SG CYS A 28 7.410 8.367 -0.988 1.00 0.82 S ATOM 0 H CYS A 28 8.267 7.392 1.251 1.00 -0.46 H new ATOM 0 HA CYS A 28 7.480 5.332 -0.342 1.00 0.04 H new ATOM 0 HB2 CYS A 28 9.602 7.366 -1.170 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 8.448 6.561 -2.214 1.00 -0.10 H new ATOM 400 N GLY A 29 10.717 5.063 0.303 1.00 -0.46 N ATOM 401 CA GLY A 29 11.807 4.094 0.186 1.00 0.04 C ATOM 402 C GLY A 29 11.377 2.708 0.619 1.00 0.62 C ATOM 403 O GLY A 29 11.581 1.756 -0.118 1.00 -0.50 O ATOM 0 H GLY A 29 10.921 5.879 0.880 1.00 -0.46 H new ATOM 0 HA2 GLY A 29 12.154 4.061 -0.847 1.00 0.04 H new ATOM 0 HA3 GLY A 29 12.650 4.420 0.795 1.00 0.04 H new ATOM 407 N GLY A 30 10.771 2.575 1.821 1.00 -0.46 N ATOM 408 CA GLY A 30 10.320 1.254 2.264 1.00 0.04 C ATOM 409 C GLY A 30 9.235 0.703 1.366 1.00 0.62 C ATOM 410 O GLY A 30 9.139 -0.506 1.206 1.00 -0.50 O ATOM 0 H GLY A 30 10.592 3.339 2.473 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 11.166 0.566 2.277 1.00 0.04 H new ATOM 0 HA3 GLY A 30 9.947 1.321 3.286 1.00 0.04 H new ATOM 414 N VAL A 31 8.390 1.577 0.768 1.00 -0.46 N ATOM 415 CA VAL A 31 7.352 1.082 -0.139 1.00 0.04 C ATOM 416 C VAL A 31 8.060 0.415 -1.294 1.00 0.62 C ATOM 417 O VAL A 31 7.790 -0.738 -1.607 1.00 -0.50 O ATOM 418 CB VAL A 31 6.400 2.176 -0.722 1.00 -0.01 C ATOM 419 CG1 VAL A 31 5.222 1.505 -1.494 1.00 -0.09 C ATOM 420 CG2 VAL A 31 5.800 3.075 0.390 1.00 -0.09 C ATOM 0 H VAL A 31 8.410 2.589 0.896 1.00 -0.46 H new ATOM 0 HA VAL A 31 6.715 0.414 0.442 1.00 0.04 H new ATOM 0 HB VAL A 31 6.999 2.794 -1.391 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 4.565 2.276 -1.896 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 5.619 0.904 -2.312 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 4.658 0.866 -0.814 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 5.145 3.821 -0.059 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 5.227 2.461 1.085 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 6.605 3.576 0.927 1.00 -0.09 H new ATOM 430 N LYS A 32 8.994 1.150 -1.935 1.00 -0.46 N ATOM 431 CA LYS A 32 9.687 0.629 -3.111 1.00 0.04 C ATOM 432 C LYS A 32 10.233 -0.752 -2.847 1.00 0.62 C ATOM 433 O LYS A 32 10.020 -1.646 -3.649 1.00 -0.50 O ATOM 434 CB LYS A 32 10.818 1.586 -3.557 1.00 -0.10 C ATOM 435 CG LYS A 32 11.448 1.165 -4.909 1.00 -0.16 C ATOM 436 CD LYS A 32 12.685 2.028 -5.285 1.00 -0.18 C ATOM 437 CE LYS A 32 12.394 3.546 -5.494 1.00 -0.04 C ATOM 438 NZ LYS A 32 12.216 4.343 -4.251 1.00 -0.14 N ATOM 0 H LYS A 32 9.275 2.090 -1.656 1.00 -0.46 H new ATOM 0 HA LYS A 32 8.962 0.559 -3.922 1.00 0.04 H new ATOM 0 HB2 LYS A 32 10.422 2.598 -3.643 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 11.592 1.611 -2.790 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 11.743 0.117 -4.858 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 10.699 1.248 -5.696 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 13.434 1.922 -4.500 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 13.123 1.629 -6.200 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 13.213 3.979 -6.068 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 11.493 3.645 -6.100 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 11.231 4.672 -4.188 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 12.437 3.752 -3.425 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 12.855 5.164 -4.270 1.00 -0.14 H new ATOM 452 N ALA A 33 10.933 -0.956 -1.711 1.00 -0.46 N ATOM 453 CA ALA A 33 11.470 -2.286 -1.424 1.00 0.04 C ATOM 454 C ALA A 33 10.392 -3.341 -1.565 1.00 0.62 C ATOM 455 O ALA A 33 10.622 -4.353 -2.210 1.00 -0.50 O ATOM 456 CB ALA A 33 12.082 -2.367 0.000 1.00 -0.10 C ATOM 0 H ALA A 33 11.130 -0.243 -1.008 1.00 -0.46 H new ATOM 0 HA ALA A 33 12.261 -2.472 -2.150 1.00 0.04 H new ATOM 0 HB1 ALA A 33 12.469 -3.371 0.173 1.00 -0.10 H new ATOM 0 HB2 ALA A 33 12.893 -1.645 0.089 1.00 -0.10 H new ATOM 0 HB3 ALA A 33 11.314 -2.142 0.740 1.00 -0.10 H new ATOM 462 N LEU A 34 9.197 -3.127 -0.966 1.00 -0.46 N ATOM 463 CA LEU A 34 8.158 -4.158 -1.031 1.00 0.04 C ATOM 464 C LEU A 34 7.616 -4.357 -2.425 1.00 0.62 C ATOM 465 O LEU A 34 7.165 -5.451 -2.719 1.00 -0.50 O ATOM 466 CB LEU A 34 6.869 -3.856 -0.218 1.00 -0.06 C ATOM 467 CG LEU A 34 7.077 -3.705 1.311 1.00 -0.01 C ATOM 468 CD1 LEU A 34 5.788 -3.051 1.894 1.00 -0.11 C ATOM 469 CD2 LEU A 34 7.400 -5.063 2.021 1.00 -0.11 C ATOM 0 H LEU A 34 8.943 -2.282 -0.454 1.00 -0.46 H new ATOM 0 HA LEU A 34 8.696 -5.018 -0.631 1.00 0.04 H new ATOM 0 HB2 LEU A 34 6.423 -2.938 -0.601 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 6.151 -4.657 -0.394 1.00 -0.06 H new ATOM 0 HG LEU A 34 7.948 -3.076 1.494 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 5.898 -2.928 2.972 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 5.634 -2.076 1.432 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 4.930 -3.691 1.687 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 7.535 -4.892 3.089 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 6.576 -5.760 1.866 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 8.314 -5.484 1.603 1.00 -0.11 H new ATOM 481 N VAL A 35 7.622 -3.321 -3.287 1.00 -0.46 N ATOM 482 CA VAL A 35 7.076 -3.480 -4.641 1.00 0.04 C ATOM 483 C VAL A 35 7.656 -4.752 -5.217 1.00 0.62 C ATOM 484 O VAL A 35 6.935 -5.566 -5.774 1.00 -0.50 O ATOM 485 CB VAL A 35 7.471 -2.320 -5.601 1.00 -0.01 C ATOM 486 CG1 VAL A 35 6.927 -2.522 -7.053 1.00 -0.09 C ATOM 487 CG2 VAL A 35 6.971 -0.949 -5.082 1.00 -0.09 C ATOM 0 H VAL A 35 7.988 -2.393 -3.075 1.00 -0.46 H new ATOM 0 HA VAL A 35 5.989 -3.493 -4.560 1.00 0.04 H new ATOM 0 HB VAL A 35 8.561 -2.333 -5.628 1.00 -0.01 H new ATOM 0 HG11 VAL A 35 7.234 -1.682 -7.677 1.00 -0.09 H new ATOM 0 HG12 VAL A 35 7.329 -3.447 -7.467 1.00 -0.09 H new ATOM 0 HG13 VAL A 35 5.839 -2.578 -7.029 1.00 -0.09 H new ATOM 0 HG21 VAL A 35 7.267 -0.166 -5.780 1.00 -0.09 H new ATOM 0 HG22 VAL A 35 5.885 -0.967 -4.996 1.00 -0.09 H new ATOM 0 HG23 VAL A 35 7.409 -0.748 -4.104 1.00 -0.09 H new ATOM 497 N ASN A 36 8.990 -4.922 -5.071 1.00 -0.46 N ATOM 498 CA ASN A 36 9.650 -6.118 -5.592 1.00 0.04 C ATOM 499 C ASN A 36 8.974 -7.344 -5.025 1.00 0.62 C ATOM 500 O ASN A 36 8.682 -8.271 -5.765 1.00 -0.50 O ATOM 501 CB ASN A 36 11.154 -6.124 -5.209 1.00 -0.09 C ATOM 502 CG ASN A 36 11.809 -4.873 -5.742 1.00 0.68 C ATOM 503 OD1 ASN A 36 11.778 -4.665 -6.949 1.00 -0.47 O ATOM 504 ND2 ASN A 36 12.399 -4.007 -4.898 1.00 -0.87 N ATOM 0 H ASN A 36 9.609 -4.258 -4.607 1.00 -0.46 H new ATOM 0 HA ASN A 36 9.572 -6.121 -6.679 1.00 0.04 H new ATOM 0 HB2 ASN A 36 11.265 -6.173 -4.126 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 11.642 -7.008 -5.620 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 12.832 -3.157 -5.260 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 12.413 -4.200 -3.897 1.00 -0.87 H new ATOM 511 N SER A 37 8.688 -7.335 -3.706 1.00 -0.46 N ATOM 512 CA SER A 37 7.878 -8.387 -3.100 1.00 0.04 C ATOM 513 C SER A 37 6.413 -8.005 -3.104 1.00 0.62 C ATOM 514 O SER A 37 5.757 -8.127 -2.077 1.00 -0.50 O ATOM 515 CB SER A 37 8.415 -8.613 -1.664 1.00 0.02 C ATOM 516 OG SER A 37 8.246 -7.441 -0.851 1.00 -0.55 O ATOM 0 H SER A 37 9.006 -6.616 -3.056 1.00 -0.46 H new ATOM 0 HA SER A 37 7.952 -9.313 -3.670 1.00 0.04 H new ATOM 0 HB2 SER A 37 7.893 -9.453 -1.207 1.00 0.02 H new ATOM 0 HB3 SER A 37 9.471 -8.879 -1.707 1.00 0.02 H new ATOM 0 HG SER A 37 7.826 -6.732 -1.382 1.00 -0.55 H new ATOM 522 N ALA A 38 5.878 -7.535 -4.248 1.00 -0.46 N ATOM 523 CA ALA A 38 4.439 -7.317 -4.386 1.00 0.04 C ATOM 524 C ALA A 38 4.075 -7.301 -5.859 1.00 0.62 C ATOM 525 O ALA A 38 3.385 -6.398 -6.318 1.00 -0.50 O ATOM 526 CB ALA A 38 3.987 -6.006 -3.693 1.00 -0.10 C ATOM 0 H ALA A 38 6.422 -7.303 -5.079 1.00 -0.46 H new ATOM 0 HA ALA A 38 3.916 -8.134 -3.890 1.00 0.04 H new ATOM 0 HB1 ALA A 38 2.912 -5.880 -3.818 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 4.225 -6.055 -2.631 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 4.506 -5.159 -4.142 1.00 -0.10 H new ATOM 532 N ARG A 39 4.565 -8.314 -6.602 1.00 -0.46 N ATOM 533 CA ARG A 39 4.438 -8.377 -8.065 1.00 0.04 C ATOM 534 C ARG A 39 4.349 -9.817 -8.576 1.00 0.62 C ATOM 535 O ARG A 39 3.540 -10.046 -9.464 1.00 -0.50 O ATOM 536 CB ARG A 39 5.567 -7.577 -8.777 1.00 -0.08 C ATOM 537 CG ARG A 39 5.261 -6.057 -9.002 1.00 -0.10 C ATOM 538 CD ARG A 39 4.854 -5.664 -10.459 1.00 -0.23 C ATOM 539 NE ARG A 39 3.560 -6.170 -10.934 1.00 -0.32 N ATOM 540 CZ ARG A 39 3.062 -5.922 -12.127 1.00 0.76 C ATOM 541 NH1 ARG A 39 3.697 -5.202 -13.020 1.00 -0.62 N ATOM 542 NH2 ARG A 39 1.887 -6.403 -12.457 1.00 -0.62 N ATOM 0 H ARG A 39 5.060 -9.110 -6.200 1.00 -0.46 H new ATOM 0 HA ARG A 39 3.494 -7.896 -8.320 1.00 0.04 H new ATOM 0 HB2 ARG A 39 6.480 -7.665 -8.189 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 5.765 -8.039 -9.744 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 4.458 -5.761 -8.326 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 6.143 -5.481 -8.721 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 4.842 -4.576 -10.529 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 5.630 -6.019 -11.138 1.00 -0.23 H new ATOM 0 HE ARG A 39 3.012 -6.751 -10.299 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 4.613 -4.810 -12.801 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 3.275 -5.034 -13.933 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 1.361 -6.968 -11.790 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 1.499 -6.212 -13.381 1.00 -0.62 H new ATOM 556 N THR A 40 5.126 -10.811 -8.069 1.00 -0.46 N ATOM 557 CA THR A 40 4.993 -12.222 -8.481 1.00 0.04 C ATOM 558 C THR A 40 3.632 -12.880 -8.239 1.00 0.62 C ATOM 559 O THR A 40 3.594 -14.006 -7.769 1.00 -0.50 O ATOM 560 CB THR A 40 6.177 -13.081 -7.888 1.00 0.17 C ATOM 561 OG1 THR A 40 7.099 -12.311 -7.091 1.00 -0.55 O ATOM 562 CG2 THR A 40 7.060 -13.712 -8.995 1.00 -0.19 C ATOM 0 H THR A 40 5.853 -10.653 -7.371 1.00 -0.46 H new ATOM 0 HA THR A 40 5.058 -12.198 -9.569 1.00 0.04 H new ATOM 0 HB THR A 40 5.664 -13.832 -7.287 1.00 0.17 H new ATOM 0 HG1 THR A 40 6.805 -12.314 -6.156 1.00 -0.55 H new ATOM 0 HG21 THR A 40 7.860 -14.293 -8.536 1.00 -0.19 H new ATOM 0 HG22 THR A 40 6.450 -14.365 -9.619 1.00 -0.19 H new ATOM 0 HG23 THR A 40 7.492 -12.923 -9.610 1.00 -0.19 H new ATOM 570 N THR A 41 2.467 -12.273 -8.566 1.00 -0.46 N ATOM 571 CA THR A 41 1.159 -12.943 -8.405 1.00 0.04 C ATOM 572 C THR A 41 0.728 -13.209 -6.982 1.00 0.62 C ATOM 573 O THR A 41 -0.347 -12.759 -6.606 1.00 -0.50 O ATOM 574 CB THR A 41 0.987 -14.224 -9.266 1.00 0.17 C ATOM 575 OG1 THR A 41 1.501 -13.923 -10.582 1.00 -0.55 O ATOM 576 CG2 THR A 41 -0.508 -14.630 -9.446 1.00 -0.19 C ATOM 0 H THR A 41 2.408 -11.326 -8.941 1.00 -0.46 H new ATOM 0 HA THR A 41 0.481 -12.183 -8.792 1.00 0.04 H new ATOM 0 HB THR A 41 1.507 -15.041 -8.767 1.00 0.17 H new ATOM 0 HG1 THR A 41 1.411 -14.712 -11.157 1.00 -0.55 H new ATOM 0 HG21 THR A 41 -0.569 -15.531 -10.056 1.00 -0.19 H new ATOM 0 HG22 THR A 41 -0.953 -14.821 -8.470 1.00 -0.19 H new ATOM 0 HG23 THR A 41 -1.048 -13.821 -9.939 1.00 -0.19 H new ATOM 584 N GLU A 42 1.526 -13.944 -6.175 1.00 -0.46 N ATOM 585 CA GLU A 42 1.095 -14.252 -4.815 1.00 0.04 C ATOM 586 C GLU A 42 1.372 -13.026 -3.972 1.00 0.62 C ATOM 587 O GLU A 42 0.438 -12.373 -3.527 1.00 -0.50 O ATOM 588 CB GLU A 42 1.800 -15.531 -4.272 1.00 -0.18 C ATOM 589 CG GLU A 42 1.606 -16.763 -5.200 1.00 -0.40 C ATOM 590 CD GLU A 42 2.424 -17.949 -4.754 1.00 0.71 C ATOM 591 OE1 GLU A 42 3.059 -17.886 -3.666 1.00 -0.72 O ATOM 592 OE2 GLU A 42 2.443 -18.960 -5.505 1.00 -0.72 O ATOM 0 H GLU A 42 2.438 -14.318 -6.439 1.00 -0.46 H new ATOM 0 HA GLU A 42 0.030 -14.481 -4.785 1.00 0.04 H new ATOM 0 HB2 GLU A 42 2.866 -15.332 -4.157 1.00 -0.18 H new ATOM 0 HB3 GLU A 42 1.410 -15.763 -3.281 1.00 -0.18 H new ATOM 0 HG2 GLU A 42 0.551 -17.038 -5.219 1.00 -0.40 H new ATOM 0 HG3 GLU A 42 1.884 -16.495 -6.219 1.00 -0.40 H new ATOM 599 N ASP A 43 2.664 -12.682 -3.759 1.00 -0.46 N ATOM 600 CA ASP A 43 3.006 -11.534 -2.923 1.00 0.04 C ATOM 601 C ASP A 43 2.179 -10.330 -3.331 1.00 0.62 C ATOM 602 O ASP A 43 1.628 -9.635 -2.490 1.00 -0.50 O ATOM 603 CB ASP A 43 4.528 -11.246 -3.019 1.00 -0.40 C ATOM 604 CG ASP A 43 5.083 -11.213 -4.416 1.00 0.71 C ATOM 605 OD1 ASP A 43 4.489 -10.532 -5.291 1.00 -0.72 O ATOM 606 OD2 ASP A 43 6.121 -11.885 -4.652 1.00 -0.72 O ATOM 0 H ASP A 43 3.464 -13.179 -4.151 1.00 -0.46 H new ATOM 0 HA ASP A 43 2.774 -11.757 -1.882 1.00 0.04 H new ATOM 0 HB2 ASP A 43 4.732 -10.288 -2.541 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 5.063 -12.006 -2.450 1.00 -0.40 H new ATOM 611 N ARG A 44 2.083 -10.108 -4.657 1.00 -0.46 N ATOM 612 CA ARG A 44 1.262 -9.037 -5.219 1.00 0.04 C ATOM 613 C ARG A 44 -0.080 -8.897 -4.545 1.00 0.62 C ATOM 614 O ARG A 44 -0.460 -7.807 -4.145 1.00 -0.50 O ATOM 615 CB ARG A 44 1.087 -9.367 -6.725 1.00 -0.08 C ATOM 616 CG ARG A 44 0.369 -8.250 -7.507 1.00 -0.10 C ATOM 617 CD ARG A 44 0.469 -8.513 -9.034 1.00 -0.23 C ATOM 618 NE ARG A 44 -0.287 -9.657 -9.543 1.00 -0.32 N ATOM 619 CZ ARG A 44 0.066 -10.438 -10.532 1.00 0.76 C ATOM 620 NH1 ARG A 44 1.200 -10.361 -11.209 1.00 -0.62 N ATOM 621 NH2 ARG A 44 -0.763 -11.389 -10.895 1.00 -0.62 N ATOM 0 H ARG A 44 2.572 -10.666 -5.357 1.00 -0.46 H new ATOM 0 HA ARG A 44 1.758 -8.079 -5.062 1.00 0.04 H new ATOM 0 HB2 ARG A 44 2.067 -9.542 -7.169 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 0.522 -10.294 -6.825 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 -0.678 -8.202 -7.207 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 0.814 -7.284 -7.267 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 0.132 -7.619 -9.558 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 1.519 -8.655 -9.289 1.00 -0.23 H new ATOM 0 HE ARG A 44 -1.173 -9.866 -9.084 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 1.887 -9.645 -10.973 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 1.387 -11.017 -11.967 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 -1.653 -11.502 -10.410 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 -0.517 -12.014 -11.662 1.00 -0.62 H new ATOM 635 N GLN A 45 -0.819 -10.014 -4.405 1.00 -0.46 N ATOM 636 CA GLN A 45 -2.143 -9.940 -3.793 1.00 0.04 C ATOM 637 C GLN A 45 -1.987 -9.797 -2.293 1.00 0.62 C ATOM 638 O GLN A 45 -2.729 -9.035 -1.691 1.00 -0.50 O ATOM 639 CB GLN A 45 -2.980 -11.185 -4.189 1.00 -0.10 C ATOM 640 CG GLN A 45 -3.213 -11.208 -5.727 1.00 -0.10 C ATOM 641 CD GLN A 45 -3.772 -12.540 -6.161 1.00 0.68 C ATOM 642 OE1 GLN A 45 -4.902 -12.848 -5.805 1.00 -0.47 O ATOM 643 NE2 GLN A 45 -3.027 -13.366 -6.919 1.00 -0.87 N ATOM 0 H GLN A 45 -0.527 -10.946 -4.699 1.00 -0.46 H new ATOM 0 HA GLN A 45 -2.684 -9.067 -4.157 1.00 0.04 H new ATOM 0 HB2 GLN A 45 -2.464 -12.093 -3.878 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 -3.938 -11.169 -3.669 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 -3.901 -10.410 -6.008 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 -2.274 -11.016 -6.245 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 -2.088 -13.088 -7.204 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 -3.402 -14.269 -7.208 1.00 -0.87 H new ATOM 652 N ILE A 46 -1.016 -10.505 -1.670 1.00 -0.46 N ATOM 653 CA ILE A 46 -0.790 -10.362 -0.227 1.00 0.04 C ATOM 654 C ILE A 46 -0.584 -8.903 0.122 1.00 0.62 C ATOM 655 O ILE A 46 -1.208 -8.409 1.051 1.00 -0.50 O ATOM 656 CB ILE A 46 0.411 -11.205 0.308 1.00 -0.01 C ATOM 657 CG1 ILE A 46 0.016 -12.684 0.612 1.00 -0.05 C ATOM 658 CG2 ILE A 46 1.066 -10.583 1.578 1.00 -0.09 C ATOM 659 CD1 ILE A 46 -0.629 -13.442 -0.578 1.00 -0.09 C ATOM 0 H ILE A 46 -0.394 -11.164 -2.137 1.00 -0.46 H new ATOM 0 HA ILE A 46 -1.684 -10.750 0.261 1.00 0.04 H new ATOM 0 HB ILE A 46 1.141 -11.194 -0.501 1.00 -0.01 H new ATOM 0 HG12 ILE A 46 0.907 -13.226 0.930 1.00 -0.05 H new ATOM 0 HG13 ILE A 46 -0.679 -12.695 1.451 1.00 -0.05 H new ATOM 0 HG21 ILE A 46 1.895 -11.211 1.905 1.00 -0.09 H new ATOM 0 HG22 ILE A 46 1.437 -9.585 1.344 1.00 -0.09 H new ATOM 0 HG23 ILE A 46 0.325 -10.517 2.374 1.00 -0.09 H new ATOM 0 HD11 ILE A 46 -0.870 -14.460 -0.273 1.00 -0.09 H new ATOM 0 HD12 ILE A 46 -1.541 -12.930 -0.884 1.00 -0.09 H new ATOM 0 HD13 ILE A 46 0.070 -13.469 -1.414 1.00 -0.09 H new ATOM 671 N ALA A 47 0.313 -8.181 -0.585 1.00 -0.46 N ATOM 672 CA ALA A 47 0.600 -6.804 -0.181 1.00 0.04 C ATOM 673 C ALA A 47 -0.635 -5.966 -0.438 1.00 0.62 C ATOM 674 O ALA A 47 -1.007 -5.166 0.406 1.00 -0.50 O ATOM 675 CB ALA A 47 1.860 -6.201 -0.857 1.00 -0.10 C ATOM 0 H ALA A 47 0.826 -8.516 -1.401 1.00 -0.46 H new ATOM 0 HA ALA A 47 0.841 -6.805 0.882 1.00 0.04 H new ATOM 0 HB1 ALA A 47 2.007 -5.179 -0.507 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 2.733 -6.801 -0.600 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 1.727 -6.199 -1.939 1.00 -0.10 H new ATOM 681 N CYS A 48 -1.307 -6.149 -1.600 1.00 -0.46 N ATOM 682 CA CYS A 48 -2.565 -5.440 -1.848 1.00 0.04 C ATOM 683 C CYS A 48 -3.543 -5.658 -0.712 1.00 0.62 C ATOM 684 O CYS A 48 -4.021 -4.680 -0.164 1.00 -0.50 O ATOM 685 CB CYS A 48 -3.176 -5.879 -3.210 1.00 -0.10 C ATOM 686 SG CYS A 48 -4.846 -5.220 -3.556 1.00 0.82 S ATOM 0 H CYS A 48 -1.003 -6.765 -2.354 1.00 -0.46 H new ATOM 0 HA CYS A 48 -2.354 -4.372 -1.900 1.00 0.04 H new ATOM 0 HB2 CYS A 48 -2.505 -5.566 -4.010 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 -3.218 -6.968 -3.238 1.00 -0.10 H new ATOM 691 N THR A 49 -3.889 -6.912 -0.336 1.00 -0.46 N ATOM 692 CA THR A 49 -4.862 -7.104 0.750 1.00 0.04 C ATOM 693 C THR A 49 -4.326 -6.594 2.072 1.00 0.62 C ATOM 694 O THR A 49 -5.075 -6.020 2.849 1.00 -0.50 O ATOM 695 CB THR A 49 -5.413 -8.544 0.956 1.00 0.17 C ATOM 696 OG1 THR A 49 -6.425 -8.547 1.981 1.00 -0.55 O ATOM 697 CG2 THR A 49 -4.330 -9.534 1.438 1.00 -0.19 C ATOM 0 H THR A 49 -3.524 -7.769 -0.752 1.00 -0.46 H new ATOM 0 HA THR A 49 -5.712 -6.514 0.407 1.00 0.04 H new ATOM 0 HB THR A 49 -5.798 -8.852 -0.016 1.00 0.17 H new ATOM 0 HG1 THR A 49 -6.766 -9.458 2.101 1.00 -0.55 H new ATOM 0 HG21 THR A 49 -4.771 -10.523 1.565 1.00 -0.19 H new ATOM 0 HG22 THR A 49 -3.530 -9.586 0.700 1.00 -0.19 H new ATOM 0 HG23 THR A 49 -3.924 -9.193 2.390 1.00 -0.19 H new ATOM 705 N CYS A 50 -3.022 -6.792 2.366 1.00 -0.46 N ATOM 706 CA CYS A 50 -2.488 -6.280 3.624 1.00 0.04 C ATOM 707 C CYS A 50 -2.641 -4.783 3.665 1.00 0.62 C ATOM 708 O CYS A 50 -3.112 -4.257 4.661 1.00 -0.50 O ATOM 709 CB CYS A 50 -0.979 -6.580 3.787 1.00 -0.10 C ATOM 710 SG CYS A 50 -0.746 -8.366 4.013 1.00 0.82 S ATOM 0 H CYS A 50 -2.354 -7.282 1.772 1.00 -0.46 H new ATOM 0 HA CYS A 50 -3.044 -6.772 4.422 1.00 0.04 H new ATOM 0 HB2 CYS A 50 -0.431 -6.238 2.909 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 -0.579 -6.038 4.644 1.00 -0.10 H new ATOM 715 N LEU A 51 -2.250 -4.075 2.588 1.00 -0.46 N ATOM 716 CA LEU A 51 -2.381 -2.628 2.608 1.00 0.04 C ATOM 717 C LEU A 51 -3.835 -2.245 2.647 1.00 0.62 C ATOM 718 O LEU A 51 -4.225 -1.491 3.520 1.00 -0.50 O ATOM 719 CB LEU A 51 -1.684 -1.940 1.409 1.00 -0.06 C ATOM 720 CG LEU A 51 -0.162 -1.775 1.640 1.00 -0.01 C ATOM 721 CD1 LEU A 51 0.619 -1.511 0.324 1.00 -0.11 C ATOM 722 CD2 LEU A 51 0.170 -0.718 2.735 1.00 -0.11 C ATOM 0 H LEU A 51 -1.859 -4.471 1.733 1.00 -0.46 H new ATOM 0 HA LEU A 51 -1.877 -2.277 3.509 1.00 0.04 H new ATOM 0 HB2 LEU A 51 -1.852 -2.527 0.506 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 -2.133 -0.961 1.241 1.00 -0.06 H new ATOM 0 HG LEU A 51 0.184 -2.736 2.020 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 1.681 -1.404 0.546 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 0.474 -2.348 -0.359 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 0.251 -0.596 -0.140 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 1.251 -0.645 2.854 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 -0.229 0.252 2.437 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 -0.280 -1.020 3.681 1.00 -0.11 H new ATOM 734 N LYS A 52 -4.655 -2.766 1.718 1.00 -0.46 N ATOM 735 CA LYS A 52 -6.101 -2.550 1.802 1.00 0.04 C ATOM 736 C LYS A 52 -6.558 -2.634 3.249 1.00 0.62 C ATOM 737 O LYS A 52 -7.356 -1.813 3.677 1.00 -0.50 O ATOM 738 CB LYS A 52 -6.769 -3.661 0.945 1.00 -0.10 C ATOM 739 CG LYS A 52 -8.311 -3.740 1.025 1.00 -0.16 C ATOM 740 CD LYS A 52 -8.872 -4.923 0.190 1.00 -0.18 C ATOM 741 CE LYS A 52 -10.410 -5.061 0.372 1.00 -0.04 C ATOM 742 NZ LYS A 52 -10.791 -5.400 1.767 1.00 -0.14 N ATOM 0 H LYS A 52 -4.348 -3.325 0.922 1.00 -0.46 H new ATOM 0 HA LYS A 52 -6.377 -1.562 1.433 1.00 0.04 H new ATOM 0 HB2 LYS A 52 -6.486 -3.509 -0.097 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 -6.359 -4.624 1.250 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 -8.616 -3.853 2.065 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 -8.742 -2.805 0.666 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 -8.640 -4.770 -0.864 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 -8.383 -5.849 0.492 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 -10.892 -4.126 0.084 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 -10.784 -5.833 -0.301 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 -11.797 -5.663 1.798 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 -10.214 -6.199 2.100 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 -10.629 -4.576 2.381 1.00 -0.14 H new ATOM 756 N SER A 53 -6.054 -3.621 4.028 1.00 -0.46 N ATOM 757 CA SER A 53 -6.444 -3.735 5.437 1.00 0.04 C ATOM 758 C SER A 53 -5.830 -2.619 6.262 1.00 0.62 C ATOM 759 O SER A 53 -6.538 -1.960 7.005 1.00 -0.50 O ATOM 760 CB SER A 53 -6.040 -5.104 6.057 1.00 0.02 C ATOM 761 OG SER A 53 -6.639 -6.205 5.345 1.00 -0.55 O ATOM 0 H SER A 53 -5.394 -4.329 3.707 1.00 -0.46 H new ATOM 0 HA SER A 53 -7.531 -3.657 5.459 1.00 0.04 H new ATOM 0 HB2 SER A 53 -4.955 -5.206 6.040 1.00 0.02 H new ATOM 0 HB3 SER A 53 -6.347 -5.136 7.102 1.00 0.02 H new ATOM 0 HG SER A 53 -6.234 -6.278 4.456 1.00 -0.55 H new ATOM 767 N ALA A 54 -4.501 -2.383 6.156 1.00 -0.46 N ATOM 768 CA ALA A 54 -3.865 -1.323 6.949 1.00 0.04 C ATOM 769 C ALA A 54 -4.542 0.010 6.680 1.00 0.62 C ATOM 770 O ALA A 54 -4.845 0.760 7.596 1.00 -0.50 O ATOM 771 CB ALA A 54 -2.351 -1.211 6.613 1.00 -0.10 C ATOM 0 H ALA A 54 -3.869 -2.900 5.545 1.00 -0.46 H new ATOM 0 HA ALA A 54 -3.972 -1.580 8.003 1.00 0.04 H new ATOM 0 HB1 ALA A 54 -1.903 -0.419 7.213 1.00 -0.10 H new ATOM 0 HB2 ALA A 54 -1.858 -2.158 6.835 1.00 -0.10 H new ATOM 0 HB3 ALA A 54 -2.229 -0.978 5.555 1.00 -0.10 H new ATOM 777 N ALA A 55 -4.810 0.313 5.391 1.00 -0.46 N ATOM 778 CA ALA A 55 -5.587 1.499 5.029 1.00 0.04 C ATOM 779 C ALA A 55 -6.934 1.430 5.715 1.00 0.62 C ATOM 780 O ALA A 55 -7.278 2.315 6.485 1.00 -0.50 O ATOM 781 CB ALA A 55 -5.788 1.605 3.481 1.00 -0.10 C ATOM 0 H ALA A 55 -4.499 -0.247 4.597 1.00 -0.46 H new ATOM 0 HA ALA A 55 -5.040 2.384 5.353 1.00 0.04 H new ATOM 0 HB1 ALA A 55 -6.369 2.498 3.250 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 -4.816 1.668 2.991 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 -6.319 0.723 3.122 1.00 -0.10 H new ATOM 787 N GLY A 56 -7.725 0.371 5.440 1.00 -0.46 N ATOM 788 CA GLY A 56 -9.083 0.311 5.980 1.00 0.04 C ATOM 789 C GLY A 56 -9.126 0.314 7.491 1.00 0.62 C ATOM 790 O GLY A 56 -10.143 0.693 8.049 1.00 -0.50 O ATOM 0 H GLY A 56 -7.451 -0.426 4.865 1.00 -0.46 H new ATOM 0 HA2 GLY A 56 -9.653 1.161 5.605 1.00 0.04 H new ATOM 0 HA3 GLY A 56 -9.574 -0.590 5.611 1.00 0.04 H new ATOM 794 N ALA A 57 -8.045 -0.103 8.190 1.00 -0.46 N ATOM 795 CA ALA A 57 -8.046 -0.036 9.653 1.00 0.04 C ATOM 796 C ALA A 57 -8.188 1.387 10.160 1.00 0.62 C ATOM 797 O ALA A 57 -8.654 1.569 11.275 1.00 -0.50 O ATOM 798 CB ALA A 57 -6.724 -0.609 10.232 1.00 -0.10 C ATOM 0 H ALA A 57 -7.192 -0.476 7.774 1.00 -0.46 H new ATOM 0 HA ALA A 57 -8.901 -0.626 9.982 1.00 0.04 H new ATOM 0 HB1 ALA A 57 -6.747 -0.549 11.320 1.00 -0.10 H new ATOM 0 HB2 ALA A 57 -6.615 -1.650 9.928 1.00 -0.10 H new ATOM 0 HB3 ALA A 57 -5.881 -0.031 9.855 1.00 -0.10 H new ATOM 804 N ILE A 58 -7.779 2.419 9.388 1.00 -0.46 N ATOM 805 CA ILE A 58 -7.796 3.787 9.915 1.00 0.04 C ATOM 806 C ILE A 58 -9.208 4.338 9.826 1.00 0.62 C ATOM 807 O ILE A 58 -9.807 4.221 8.770 1.00 -0.50 O ATOM 808 CB ILE A 58 -6.795 4.684 9.128 1.00 -0.01 C ATOM 809 CG1 ILE A 58 -5.337 4.140 9.233 1.00 -0.05 C ATOM 810 CG2 ILE A 58 -6.896 6.166 9.580 1.00 -0.09 C ATOM 811 CD1 ILE A 58 -4.381 4.826 8.221 1.00 -0.09 C ATOM 0 H ILE A 58 -7.444 2.329 8.429 1.00 -0.46 H new ATOM 0 HA ILE A 58 -7.484 3.781 10.959 1.00 0.04 H new ATOM 0 HB ILE A 58 -7.072 4.648 8.074 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 -4.965 4.297 10.245 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 -5.339 3.064 9.057 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 -6.186 6.768 9.014 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 -7.907 6.533 9.401 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 -6.667 6.239 10.643 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 -3.378 4.415 8.332 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 -4.736 4.647 7.206 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 -4.356 5.899 8.413 1.00 -0.09 H new ATOM 823 N SER A 59 -9.770 4.954 10.898 1.00 -0.46 N ATOM 824 CA SER A 59 -11.134 5.488 10.813 1.00 0.04 C ATOM 825 C SER A 59 -11.132 6.781 10.032 1.00 0.62 C ATOM 826 O SER A 59 -11.922 6.918 9.111 1.00 -0.50 O ATOM 827 CB SER A 59 -11.793 5.748 12.195 1.00 0.02 C ATOM 828 OG SER A 59 -11.919 4.532 12.953 1.00 -0.55 O ATOM 0 H SER A 59 -9.310 5.086 11.799 1.00 -0.46 H new ATOM 0 HA SER A 59 -11.724 4.720 10.312 1.00 0.04 H new ATOM 0 HB2 SER A 59 -11.196 6.468 12.755 1.00 0.02 H new ATOM 0 HB3 SER A 59 -12.778 6.193 12.052 1.00 0.02 H new ATOM 0 HG SER A 59 -12.335 4.728 13.818 1.00 -0.55 H new ATOM 834 N GLY A 60 -10.238 7.745 10.352 1.00 -0.46 N ATOM 835 CA GLY A 60 -10.154 8.975 9.557 1.00 0.04 C ATOM 836 C GLY A 60 -9.334 8.793 8.297 1.00 0.62 C ATOM 837 O GLY A 60 -8.583 9.690 7.945 1.00 -0.50 O ATOM 0 H GLY A 60 -9.585 7.692 11.134 1.00 -0.46 H new ATOM 0 HA2 GLY A 60 -11.159 9.301 9.289 1.00 0.04 H new ATOM 0 HA3 GLY A 60 -9.713 9.767 10.163 1.00 0.04 H new ATOM 841 N ILE A 61 -9.455 7.651 7.584 1.00 -0.46 N ATOM 842 CA ILE A 61 -8.675 7.456 6.366 1.00 0.04 C ATOM 843 C ILE A 61 -9.073 8.469 5.312 1.00 0.62 C ATOM 844 O ILE A 61 -10.261 8.710 5.162 1.00 -0.50 O ATOM 845 CB ILE A 61 -8.850 6.024 5.771 1.00 -0.01 C ATOM 846 CG1 ILE A 61 -7.737 5.796 4.705 1.00 -0.05 C ATOM 847 CG2 ILE A 61 -10.289 5.739 5.245 1.00 -0.09 C ATOM 848 CD1 ILE A 61 -7.937 4.536 3.842 1.00 -0.09 C ATOM 0 H ILE A 61 -10.071 6.876 7.831 1.00 -0.46 H new ATOM 0 HA ILE A 61 -7.630 7.589 6.645 1.00 0.04 H new ATOM 0 HB ILE A 61 -8.729 5.291 6.569 1.00 -0.01 H new ATOM 0 HG12 ILE A 61 -7.692 6.667 4.051 1.00 -0.05 H new ATOM 0 HG13 ILE A 61 -6.774 5.727 5.211 1.00 -0.05 H new ATOM 0 HG21 ILE A 61 -10.337 4.726 4.846 1.00 -0.09 H new ATOM 0 HG22 ILE A 61 -11.002 5.841 6.063 1.00 -0.09 H new ATOM 0 HG23 ILE A 61 -10.536 6.451 4.457 1.00 -0.09 H new ATOM 0 HD11 ILE A 61 -7.119 4.452 3.126 1.00 -0.09 H new ATOM 0 HD12 ILE A 61 -7.951 3.654 4.483 1.00 -0.09 H new ATOM 0 HD13 ILE A 61 -8.883 4.609 3.305 1.00 -0.09 H new ATOM 860 N ASN A 62 -8.114 9.057 4.560 1.00 -0.46 N ATOM 861 CA ASN A 62 -8.473 9.937 3.448 1.00 0.04 C ATOM 862 C ASN A 62 -8.549 9.122 2.167 1.00 0.62 C ATOM 863 O ASN A 62 -7.568 8.483 1.818 1.00 -0.50 O ATOM 864 CB ASN A 62 -7.439 11.087 3.380 1.00 -0.09 C ATOM 865 CG ASN A 62 -7.779 12.071 2.288 1.00 0.68 C ATOM 866 OD1 ASN A 62 -7.882 11.660 1.143 1.00 -0.47 O ATOM 867 ND2 ASN A 62 -7.947 13.374 2.586 1.00 -0.87 N ATOM 0 H ASN A 62 -7.112 8.936 4.705 1.00 -0.46 H new ATOM 0 HA ASN A 62 -9.456 10.386 3.592 1.00 0.04 H new ATOM 0 HB2 ASN A 62 -7.404 11.604 4.339 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 -6.446 10.675 3.204 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 -8.166 14.042 1.847 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 -7.856 13.692 3.551 1.00 -0.87 H new ATOM 874 N LEU A 63 -9.698 9.121 1.450 1.00 -0.46 N ATOM 875 CA LEU A 63 -9.857 8.264 0.266 1.00 0.04 C ATOM 876 C LEU A 63 -8.897 8.719 -0.812 1.00 0.62 C ATOM 877 O LEU A 63 -8.158 7.906 -1.350 1.00 -0.50 O ATOM 878 CB LEU A 63 -11.354 8.290 -0.182 1.00 -0.06 C ATOM 879 CG LEU A 63 -11.810 7.209 -1.212 1.00 -0.01 C ATOM 880 CD1 LEU A 63 -13.362 7.074 -1.167 1.00 -0.11 C ATOM 881 CD2 LEU A 63 -11.383 7.544 -2.669 1.00 -0.11 C ATOM 0 H LEU A 63 -10.511 9.696 1.671 1.00 -0.46 H new ATOM 0 HA LEU A 63 -9.609 7.226 0.489 1.00 0.04 H new ATOM 0 HB2 LEU A 63 -11.975 8.191 0.708 1.00 -0.06 H new ATOM 0 HB3 LEU A 63 -11.562 9.271 -0.608 1.00 -0.06 H new ATOM 0 HG LEU A 63 -11.322 6.276 -0.930 1.00 -0.01 H new ATOM 0 HD11 LEU A 63 -13.683 6.320 -1.886 1.00 -0.11 H new ATOM 0 HD12 LEU A 63 -13.672 6.776 -0.165 1.00 -0.11 H new ATOM 0 HD13 LEU A 63 -13.818 8.032 -1.419 1.00 -0.11 H new ATOM 0 HD21 LEU A 63 -11.728 6.757 -3.339 1.00 -0.11 H new ATOM 0 HD22 LEU A 63 -11.825 8.495 -2.968 1.00 -0.11 H new ATOM 0 HD23 LEU A 63 -10.297 7.616 -2.722 1.00 -0.11 H new ATOM 893 N GLY A 64 -8.887 10.030 -1.140 1.00 -0.46 N ATOM 894 CA GLY A 64 -8.002 10.512 -2.197 1.00 0.04 C ATOM 895 C GLY A 64 -6.556 10.195 -1.907 1.00 0.62 C ATOM 896 O GLY A 64 -5.858 9.784 -2.820 1.00 -0.50 O ATOM 0 H GLY A 64 -9.465 10.745 -0.699 1.00 -0.46 H new ATOM 0 HA2 GLY A 64 -8.290 10.060 -3.146 1.00 0.04 H new ATOM 0 HA3 GLY A 64 -8.122 11.590 -2.308 1.00 0.04 H new ATOM 900 N LYS A 65 -6.067 10.380 -0.662 1.00 -0.46 N ATOM 901 CA LYS A 65 -4.665 10.070 -0.381 1.00 0.04 C ATOM 902 C LYS A 65 -4.437 8.579 -0.400 1.00 0.62 C ATOM 903 O LYS A 65 -3.352 8.172 -0.777 1.00 -0.50 O ATOM 904 CB LYS A 65 -4.152 10.656 0.959 1.00 -0.10 C ATOM 905 CG LYS A 65 -4.238 12.206 0.957 1.00 -0.16 C ATOM 906 CD LYS A 65 -3.554 12.821 2.204 1.00 -0.18 C ATOM 907 CE LYS A 65 -3.571 14.375 2.182 1.00 -0.04 C ATOM 908 NZ LYS A 65 -2.949 14.968 0.974 1.00 -0.14 N ATOM 0 H LYS A 65 -6.605 10.729 0.131 1.00 -0.46 H new ATOM 0 HA LYS A 65 -4.092 10.549 -1.175 1.00 0.04 H new ATOM 0 HB2 LYS A 65 -4.742 10.257 1.784 1.00 -0.10 H new ATOM 0 HB3 LYS A 65 -3.120 10.346 1.125 1.00 -0.10 H new ATOM 0 HG2 LYS A 65 -3.767 12.595 0.055 1.00 -0.16 H new ATOM 0 HG3 LYS A 65 -5.284 12.512 0.928 1.00 -0.16 H new ATOM 0 HD2 LYS A 65 -4.058 12.467 3.103 1.00 -0.18 H new ATOM 0 HD3 LYS A 65 -2.523 12.472 2.259 1.00 -0.18 H new ATOM 0 HE2 LYS A 65 -4.603 14.718 2.252 1.00 -0.04 H new ATOM 0 HE3 LYS A 65 -3.051 14.746 3.065 1.00 -0.04 H new ATOM 0 HZ1 LYS A 65 -2.875 15.999 1.092 1.00 -0.14 H new ATOM 0 HZ2 LYS A 65 -1.999 14.566 0.840 1.00 -0.14 H new ATOM 0 HZ3 LYS A 65 -3.535 14.756 0.142 1.00 -0.14 H new ATOM 922 N ALA A 66 -5.419 7.728 -0.031 1.00 -0.46 N ATOM 923 CA ALA A 66 -5.221 6.291 -0.238 1.00 0.04 C ATOM 924 C ALA A 66 -4.926 6.029 -1.695 1.00 0.62 C ATOM 925 O ALA A 66 -3.935 5.383 -2.009 1.00 -0.50 O ATOM 926 CB ALA A 66 -6.360 5.379 0.309 1.00 -0.10 C ATOM 0 H ALA A 66 -6.309 7.998 0.389 1.00 -0.46 H new ATOM 0 HA ALA A 66 -4.361 6.007 0.368 1.00 0.04 H new ATOM 0 HB1 ALA A 66 -6.119 4.335 0.107 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 -6.459 5.527 1.384 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 -7.299 5.636 -0.181 1.00 -0.10 H new ATOM 932 N ALA A 67 -5.766 6.541 -2.612 1.00 -0.46 N ATOM 933 CA ALA A 67 -5.477 6.326 -4.028 1.00 0.04 C ATOM 934 C ALA A 67 -4.280 7.141 -4.484 1.00 0.62 C ATOM 935 O ALA A 67 -3.611 6.737 -5.425 1.00 -0.50 O ATOM 936 CB ALA A 67 -6.742 6.589 -4.885 1.00 -0.10 C ATOM 0 H ALA A 67 -6.608 7.079 -2.408 1.00 -0.46 H new ATOM 0 HA ALA A 67 -5.201 5.281 -4.170 1.00 0.04 H new ATOM 0 HB1 ALA A 67 -6.509 6.424 -5.937 1.00 -0.10 H new ATOM 0 HB2 ALA A 67 -7.537 5.909 -4.578 1.00 -0.10 H new ATOM 0 HB3 ALA A 67 -7.070 7.619 -4.743 1.00 -0.10 H new ATOM 942 N GLY A 68 -3.981 8.287 -3.830 1.00 -0.46 N ATOM 943 CA GLY A 68 -2.800 9.083 -4.173 1.00 0.04 C ATOM 944 C GLY A 68 -1.522 8.516 -3.610 1.00 0.62 C ATOM 945 O GLY A 68 -0.465 8.832 -4.133 1.00 -0.50 O ATOM 0 H GLY A 68 -4.542 8.671 -3.069 1.00 -0.46 H new ATOM 0 HA2 GLY A 68 -2.715 9.148 -5.258 1.00 0.04 H new ATOM 0 HA3 GLY A 68 -2.934 10.099 -3.803 1.00 0.04 H new ATOM 949 N LEU A 69 -1.548 7.691 -2.544 1.00 -0.46 N ATOM 950 CA LEU A 69 -0.297 7.179 -1.990 1.00 0.04 C ATOM 951 C LEU A 69 0.641 6.588 -3.027 1.00 0.62 C ATOM 952 O LEU A 69 1.794 6.995 -3.014 1.00 -0.50 O ATOM 953 CB LEU A 69 -0.562 6.200 -0.815 1.00 -0.06 C ATOM 954 CG LEU A 69 0.749 5.629 -0.198 1.00 -0.01 C ATOM 955 CD1 LEU A 69 1.679 6.779 0.298 1.00 -0.11 C ATOM 956 CD2 LEU A 69 0.407 4.695 0.995 1.00 -0.11 C ATOM 0 H LEU A 69 -2.395 7.378 -2.069 1.00 -0.46 H new ATOM 0 HA LEU A 69 0.233 8.046 -1.595 1.00 0.04 H new ATOM 0 HB2 LEU A 69 -1.129 6.715 -0.040 1.00 -0.06 H new ATOM 0 HB3 LEU A 69 -1.181 5.375 -1.168 1.00 -0.06 H new ATOM 0 HG LEU A 69 1.271 5.066 -0.971 1.00 -0.01 H new ATOM 0 HD11 LEU A 69 2.588 6.354 0.725 1.00 -0.11 H new ATOM 0 HD12 LEU A 69 1.939 7.424 -0.541 1.00 -0.11 H new ATOM 0 HD13 LEU A 69 1.161 7.364 1.058 1.00 -0.11 H new ATOM 0 HD21 LEU A 69 1.328 4.299 1.422 1.00 -0.11 H new ATOM 0 HD22 LEU A 69 -0.133 5.259 1.756 1.00 -0.11 H new ATOM 0 HD23 LEU A 69 -0.215 3.871 0.645 1.00 -0.11 H new ATOM 968 N PRO A 70 0.279 5.664 -3.952 1.00 -0.23 N ATOM 969 CA PRO A 70 1.264 5.220 -4.932 1.00 0.04 C ATOM 970 C PRO A 70 1.696 6.342 -5.842 1.00 0.53 C ATOM 971 O PRO A 70 2.768 6.223 -6.416 1.00 -0.50 O ATOM 972 CB PRO A 70 0.447 4.174 -5.724 1.00 -0.12 C ATOM 973 CG PRO A 70 -1.019 4.609 -5.508 1.00 -0.12 C ATOM 974 CD PRO A 70 -1.058 5.098 -4.043 1.00 -0.01 C ATOM 0 HA PRO A 70 2.186 4.847 -4.486 1.00 0.04 H new ATOM 0 HB2 PRO A 70 0.713 4.176 -6.781 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 0.623 3.164 -5.353 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 -1.305 5.401 -6.200 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 -1.708 3.780 -5.670 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 -1.840 5.837 -3.867 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 -1.220 4.287 -3.333 1.00 -0.01 H new ATOM 982 N SER A 71 0.901 7.426 -5.999 1.00 -0.46 N ATOM 983 CA SER A 71 1.347 8.553 -6.817 1.00 0.04 C ATOM 984 C SER A 71 2.352 9.366 -6.026 1.00 0.62 C ATOM 985 O SER A 71 3.446 9.611 -6.510 1.00 -0.50 O ATOM 986 CB SER A 71 0.136 9.428 -7.246 1.00 0.02 C ATOM 987 OG SER A 71 0.540 10.489 -8.128 1.00 -0.55 O ATOM 0 H SER A 71 -0.023 7.534 -5.580 1.00 -0.46 H new ATOM 0 HA SER A 71 1.822 8.182 -7.725 1.00 0.04 H new ATOM 0 HB2 SER A 71 -0.608 8.804 -7.742 1.00 0.02 H new ATOM 0 HB3 SER A 71 -0.341 9.850 -6.361 1.00 0.02 H new ATOM 0 HG SER A 71 -0.244 11.020 -8.381 1.00 -0.55 H new ATOM 993 N THR A 72 2.004 9.791 -4.788 1.00 -0.46 N ATOM 994 CA THR A 72 2.931 10.590 -3.984 1.00 0.04 C ATOM 995 C THR A 72 4.193 9.798 -3.743 1.00 0.62 C ATOM 996 O THR A 72 5.282 10.316 -3.941 1.00 -0.50 O ATOM 997 CB THR A 72 2.289 10.982 -2.623 1.00 0.17 C ATOM 998 OG1 THR A 72 0.931 11.406 -2.831 1.00 -0.55 O ATOM 999 CG2 THR A 72 3.097 12.094 -1.905 1.00 -0.19 C ATOM 0 H THR A 72 1.108 9.595 -4.341 1.00 -0.46 H new ATOM 0 HA THR A 72 3.166 11.505 -4.527 1.00 0.04 H new ATOM 0 HB THR A 72 2.301 10.103 -1.979 1.00 0.17 H new ATOM 0 HG1 THR A 72 0.479 11.493 -1.966 1.00 -0.55 H new ATOM 0 HG21 THR A 72 2.616 12.340 -0.958 1.00 -0.19 H new ATOM 0 HG22 THR A 72 4.111 11.742 -1.716 1.00 -0.19 H new ATOM 0 HG23 THR A 72 3.132 12.983 -2.535 1.00 -0.19 H new ATOM 1007 N CYS A 73 4.062 8.517 -3.333 1.00 -0.46 N ATOM 1008 CA CYS A 73 5.215 7.626 -3.295 1.00 0.04 C ATOM 1009 C CYS A 73 5.273 6.896 -4.610 1.00 0.62 C ATOM 1010 O CYS A 73 5.047 5.700 -4.607 1.00 -0.50 O ATOM 1011 CB CYS A 73 5.164 6.642 -2.093 1.00 -0.10 C ATOM 1012 SG CYS A 73 5.635 7.469 -0.549 1.00 0.82 S ATOM 0 H CYS A 73 3.184 8.095 -3.032 1.00 -0.46 H new ATOM 0 HA CYS A 73 6.123 8.212 -3.149 1.00 0.04 H new ATOM 0 HB2 CYS A 73 4.158 6.232 -1.997 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 5.834 5.802 -2.278 1.00 -0.10 H new ATOM 1017 N GLY A 74 5.592 7.591 -5.723 1.00 -0.46 N ATOM 1018 CA GLY A 74 5.751 6.920 -7.012 1.00 0.04 C ATOM 1019 C GLY A 74 6.282 5.508 -6.899 1.00 0.62 C ATOM 1020 O GLY A 74 7.454 5.359 -6.580 1.00 -0.50 O ATOM 0 H GLY A 74 5.741 8.600 -5.747 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 4.788 6.897 -7.521 1.00 0.04 H new ATOM 0 HA3 GLY A 74 6.427 7.505 -7.635 1.00 0.04 H new ATOM 1024 N VAL A 75 5.460 4.463 -7.148 1.00 -0.46 N ATOM 1025 CA VAL A 75 5.962 3.088 -7.129 1.00 0.04 C ATOM 1026 C VAL A 75 5.275 2.255 -8.190 1.00 0.62 C ATOM 1027 O VAL A 75 4.170 2.606 -8.582 1.00 -0.50 O ATOM 1028 CB VAL A 75 5.778 2.410 -5.744 1.00 -0.01 C ATOM 1029 CG1 VAL A 75 6.878 2.828 -4.730 1.00 -0.09 C ATOM 1030 CG2 VAL A 75 4.346 2.578 -5.174 1.00 -0.09 C ATOM 0 H VAL A 75 4.466 4.551 -7.360 1.00 -0.46 H new ATOM 0 HA VAL A 75 7.031 3.144 -7.337 1.00 0.04 H new ATOM 0 HB VAL A 75 5.905 1.341 -5.913 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 6.704 2.327 -3.778 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 7.856 2.543 -5.117 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 6.846 3.908 -4.583 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 4.280 2.083 -4.205 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 4.124 3.638 -5.056 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 3.627 2.131 -5.860 1.00 -0.09 H new ATOM 1040 N ASN A 76 5.896 1.154 -8.675 1.00 -0.46 N ATOM 1041 CA ASN A 76 5.295 0.376 -9.762 1.00 0.04 C ATOM 1042 C ASN A 76 4.364 -0.683 -9.211 1.00 0.62 C ATOM 1043 O ASN A 76 4.572 -1.855 -9.498 1.00 -0.50 O ATOM 1044 CB ASN A 76 6.414 -0.234 -10.652 1.00 -0.09 C ATOM 1045 CG ASN A 76 5.846 -0.813 -11.926 1.00 0.68 C ATOM 1046 OD1 ASN A 76 5.327 -0.047 -12.729 1.00 -0.47 O ATOM 1047 ND2 ASN A 76 5.911 -2.134 -12.175 1.00 -0.87 N ATOM 0 H ASN A 76 6.790 0.798 -8.336 1.00 -0.46 H new ATOM 0 HA ASN A 76 4.691 1.034 -10.387 1.00 0.04 H new ATOM 0 HB2 ASN A 76 7.148 0.534 -10.895 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 6.939 -1.013 -10.098 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 5.525 -2.509 -13.041 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 6.346 -2.760 -11.497 1.00 -0.87 H new ATOM 1054 N ILE A 77 3.333 -0.287 -8.421 1.00 -0.46 N ATOM 1055 CA ILE A 77 2.398 -1.274 -7.867 1.00 0.04 C ATOM 1056 C ILE A 77 1.151 -1.356 -8.729 1.00 0.62 C ATOM 1057 O ILE A 77 0.639 -0.298 -9.075 1.00 -0.50 O ATOM 1058 CB ILE A 77 1.959 -1.077 -6.381 1.00 -0.01 C ATOM 1059 CG1 ILE A 77 1.196 0.254 -6.129 1.00 -0.05 C ATOM 1060 CG2 ILE A 77 3.149 -1.249 -5.400 1.00 -0.09 C ATOM 1061 CD1 ILE A 77 0.934 0.490 -4.618 1.00 -0.09 C ATOM 0 H ILE A 77 3.139 0.681 -8.165 1.00 -0.46 H new ATOM 0 HA ILE A 77 2.976 -2.198 -7.875 1.00 0.04 H new ATOM 0 HB ILE A 77 1.243 -1.873 -6.179 1.00 -0.01 H new ATOM 0 HG12 ILE A 77 1.773 1.086 -6.532 1.00 -0.05 H new ATOM 0 HG13 ILE A 77 0.247 0.236 -6.664 1.00 -0.05 H new ATOM 0 HG21 ILE A 77 2.801 -1.104 -4.377 1.00 -0.09 H new ATOM 0 HG22 ILE A 77 3.564 -2.252 -5.504 1.00 -0.09 H new ATOM 0 HG23 ILE A 77 3.919 -0.512 -5.629 1.00 -0.09 H new ATOM 0 HD11 ILE A 77 0.399 1.430 -4.484 1.00 -0.09 H new ATOM 0 HD12 ILE A 77 0.334 -0.329 -4.220 1.00 -0.09 H new ATOM 0 HD13 ILE A 77 1.885 0.535 -4.087 1.00 -0.09 H new ATOM 1073 N PRO A 78 0.593 -2.539 -9.092 1.00 -0.23 N ATOM 1074 CA PRO A 78 -0.660 -2.579 -9.847 1.00 0.04 C ATOM 1075 C PRO A 78 -1.877 -2.562 -8.939 1.00 0.53 C ATOM 1076 O PRO A 78 -2.759 -3.394 -9.094 1.00 -0.50 O ATOM 1077 CB PRO A 78 -0.444 -3.937 -10.560 1.00 -0.12 C ATOM 1078 CG PRO A 78 0.275 -4.785 -9.488 1.00 -0.12 C ATOM 1079 CD PRO A 78 1.253 -3.806 -8.816 1.00 -0.01 C ATOM 0 HA PRO A 78 -0.856 -1.733 -10.506 1.00 0.04 H new ATOM 0 HB2 PRO A 78 -1.389 -4.388 -10.864 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 0.161 -3.828 -11.460 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 -0.432 -5.197 -8.768 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 0.802 -5.628 -9.936 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 1.359 -3.994 -7.748 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 2.252 -3.856 -9.249 1.00 -0.01 H new ATOM 1087 N TYR A 79 -1.978 -1.610 -7.987 1.00 -0.46 N ATOM 1088 CA TYR A 79 -3.174 -1.502 -7.143 1.00 0.04 C ATOM 1089 C TYR A 79 -3.209 -0.149 -6.459 1.00 0.62 C ATOM 1090 O TYR A 79 -2.146 0.317 -6.075 1.00 -0.50 O ATOM 1091 CB TYR A 79 -3.343 -2.656 -6.108 1.00 -0.10 C ATOM 1092 CG TYR A 79 -2.109 -2.902 -5.225 1.00 -0.03 C ATOM 1093 CD1 TYR A 79 -1.008 -3.622 -5.722 1.00 0.00 C ATOM 1094 CD2 TYR A 79 -2.052 -2.448 -3.901 1.00 0.00 C ATOM 1095 CE1 TYR A 79 0.121 -3.841 -4.921 1.00 -0.26 C ATOM 1096 CE2 TYR A 79 -0.880 -2.530 -3.166 1.00 -0.26 C ATOM 1097 CZ TYR A 79 0.225 -3.240 -3.669 1.00 0.46 C ATOM 1098 OH TYR A 79 1.383 -3.325 -2.898 1.00 -0.53 O ATOM 0 H TYR A 79 -1.255 -0.918 -7.790 1.00 -0.46 H new ATOM 0 HA TYR A 79 -4.026 -1.600 -7.816 1.00 0.04 H new ATOM 0 HB2 TYR A 79 -4.195 -2.430 -5.466 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 -3.581 -3.575 -6.643 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 -1.033 -4.010 -6.730 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.936 -2.027 -3.445 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.916 -4.480 -5.277 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 -0.815 -2.046 -2.202 1.00 -0.26 H new ATOM 0 HH TYR A 79 1.465 -2.523 -2.341 1.00 -0.53 H new ATOM 1108 N LYS A 80 -4.380 0.511 -6.289 1.00 -0.46 N ATOM 1109 CA LYS A 80 -4.399 1.861 -5.710 1.00 0.04 C ATOM 1110 C LYS A 80 -4.481 1.866 -4.192 1.00 0.62 C ATOM 1111 O LYS A 80 -5.002 2.814 -3.620 1.00 -0.50 O ATOM 1112 CB LYS A 80 -5.521 2.718 -6.360 1.00 -0.10 C ATOM 1113 CG LYS A 80 -5.269 3.049 -7.858 1.00 -0.16 C ATOM 1114 CD LYS A 80 -6.474 3.850 -8.426 1.00 -0.18 C ATOM 1115 CE LYS A 80 -6.275 4.303 -9.896 1.00 -0.04 C ATOM 1116 NZ LYS A 80 -7.444 5.088 -10.360 1.00 -0.14 N ATOM 0 H LYS A 80 -5.296 0.137 -6.539 1.00 -0.46 H new ATOM 0 HA LYS A 80 -3.438 2.320 -5.944 1.00 0.04 H new ATOM 0 HB2 LYS A 80 -6.469 2.188 -6.269 1.00 -0.10 H new ATOM 0 HB3 LYS A 80 -5.622 3.650 -5.804 1.00 -0.10 H new ATOM 0 HG2 LYS A 80 -4.352 3.629 -7.963 1.00 -0.16 H new ATOM 0 HG3 LYS A 80 -5.131 2.129 -8.426 1.00 -0.16 H new ATOM 0 HD2 LYS A 80 -7.372 3.236 -8.361 1.00 -0.18 H new ATOM 0 HD3 LYS A 80 -6.643 4.728 -7.803 1.00 -0.18 H new ATOM 0 HE2 LYS A 80 -5.370 4.905 -9.978 1.00 -0.04 H new ATOM 0 HE3 LYS A 80 -6.138 3.431 -10.536 1.00 -0.04 H new ATOM 0 HZ1 LYS A 80 -7.295 5.383 -11.346 1.00 -0.14 H new ATOM 0 HZ2 LYS A 80 -8.301 4.502 -10.300 1.00 -0.14 H new ATOM 0 HZ3 LYS A 80 -7.557 5.930 -9.760 1.00 -0.14 H new ATOM 1130 N ILE A 81 -3.967 0.830 -3.491 1.00 -0.46 N ATOM 1131 CA ILE A 81 -3.983 0.818 -2.021 1.00 0.04 C ATOM 1132 C ILE A 81 -5.335 1.263 -1.498 1.00 0.62 C ATOM 1133 O ILE A 81 -5.410 1.955 -0.495 1.00 -0.50 O ATOM 1134 CB ILE A 81 -2.837 1.728 -1.478 1.00 -0.01 C ATOM 1135 CG1 ILE A 81 -1.530 1.491 -2.300 1.00 -0.05 C ATOM 1136 CG2 ILE A 81 -2.593 1.530 0.046 1.00 -0.09 C ATOM 1137 CD1 ILE A 81 -0.262 2.174 -1.713 1.00 -0.09 C ATOM 0 H ILE A 81 -3.543 0.006 -3.917 1.00 -0.46 H new ATOM 0 HA ILE A 81 -3.815 -0.199 -1.668 1.00 0.04 H new ATOM 0 HB ILE A 81 -3.149 2.765 -1.605 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 -1.350 0.418 -2.369 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 -1.685 1.854 -3.316 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 -1.786 2.186 0.374 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 -3.503 1.772 0.595 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 -2.318 0.493 0.239 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 0.596 1.955 -2.348 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 -0.416 3.252 -1.670 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 -0.076 1.794 -0.709 1.00 -0.09 H new ATOM 1149 N SER A 82 -6.443 0.902 -2.186 1.00 -0.46 N ATOM 1150 CA SER A 82 -7.745 1.469 -1.826 1.00 0.04 C ATOM 1151 C SER A 82 -8.437 0.498 -0.894 1.00 0.62 C ATOM 1152 O SER A 82 -8.462 -0.673 -1.257 1.00 -0.50 O ATOM 1153 CB SER A 82 -8.583 1.750 -3.109 1.00 0.02 C ATOM 1154 OG SER A 82 -7.831 2.476 -4.114 1.00 -0.55 O ATOM 0 H SER A 82 -6.456 0.244 -2.965 1.00 -0.46 H new ATOM 0 HA SER A 82 -7.625 2.424 -1.315 1.00 0.04 H new ATOM 0 HB2 SER A 82 -8.927 0.805 -3.529 1.00 0.02 H new ATOM 0 HB3 SER A 82 -9.472 2.322 -2.841 1.00 0.02 H new ATOM 0 HG SER A 82 -6.927 2.656 -3.780 1.00 -0.55 H new ATOM 1160 N PRO A 83 -9.007 0.846 0.294 1.00 -0.23 N ATOM 1161 CA PRO A 83 -9.618 -0.174 1.145 1.00 0.04 C ATOM 1162 C PRO A 83 -10.956 -0.612 0.583 1.00 0.53 C ATOM 1163 O PRO A 83 -11.983 -0.363 1.192 1.00 -0.50 O ATOM 1164 CB PRO A 83 -9.715 0.599 2.480 1.00 -0.12 C ATOM 1165 CG PRO A 83 -9.979 2.038 1.992 1.00 -0.12 C ATOM 1166 CD PRO A 83 -8.998 2.211 0.804 1.00 -0.01 C ATOM 0 HA PRO A 83 -9.073 -1.113 1.237 1.00 0.04 H new ATOM 0 HB2 PRO A 83 -10.522 0.226 3.111 1.00 -0.12 H new ATOM 0 HB3 PRO A 83 -8.796 0.527 3.062 1.00 -0.12 H new ATOM 0 HG2 PRO A 83 -11.014 2.170 1.678 1.00 -0.12 H new ATOM 0 HG3 PRO A 83 -9.788 2.768 2.778 1.00 -0.12 H new ATOM 0 HD2 PRO A 83 -9.350 2.936 0.070 1.00 -0.01 H new ATOM 0 HD3 PRO A 83 -8.007 2.535 1.121 1.00 -0.01 H new ATOM 1174 N SER A 84 -10.958 -1.272 -0.599 1.00 -0.46 N ATOM 1175 CA SER A 84 -12.217 -1.619 -1.271 1.00 0.04 C ATOM 1176 C SER A 84 -11.948 -2.399 -2.547 1.00 0.62 C ATOM 1177 O SER A 84 -12.510 -3.474 -2.700 1.00 -0.50 O ATOM 1178 CB SER A 84 -13.026 -0.342 -1.634 1.00 0.02 C ATOM 1179 OG SER A 84 -12.208 0.600 -2.358 1.00 -0.55 O ATOM 0 H SER A 84 -10.116 -1.567 -1.093 1.00 -0.46 H new ATOM 0 HA SER A 84 -12.795 -2.231 -0.579 1.00 0.04 H new ATOM 0 HB2 SER A 84 -13.892 -0.615 -2.237 1.00 0.02 H new ATOM 0 HB3 SER A 84 -13.405 0.124 -0.724 1.00 0.02 H new ATOM 0 HG SER A 84 -12.739 1.394 -2.577 1.00 -0.55 H new ATOM 1185 N THR A 85 -11.096 -1.890 -3.472 1.00 -0.46 N ATOM 1186 CA THR A 85 -10.770 -2.645 -4.688 1.00 0.04 C ATOM 1187 C THR A 85 -10.520 -4.113 -4.406 1.00 0.62 C ATOM 1188 O THR A 85 -9.943 -4.430 -3.376 1.00 -0.50 O ATOM 1189 CB THR A 85 -9.531 -2.085 -5.451 1.00 0.17 C ATOM 1190 OG1 THR A 85 -9.351 -2.728 -6.727 1.00 -0.55 O ATOM 1191 CG2 THR A 85 -8.213 -2.185 -4.633 1.00 -0.19 C ATOM 0 H THR A 85 -10.637 -0.982 -3.395 1.00 -0.46 H new ATOM 0 HA THR A 85 -11.653 -2.531 -5.317 1.00 0.04 H new ATOM 0 HB THR A 85 -9.747 -1.028 -5.608 1.00 0.17 H new ATOM 0 HG1 THR A 85 -8.566 -2.350 -7.176 1.00 -0.55 H new ATOM 0 HG21 THR A 85 -7.389 -1.779 -5.220 1.00 -0.19 H new ATOM 0 HG22 THR A 85 -8.315 -1.617 -3.708 1.00 -0.19 H new ATOM 0 HG23 THR A 85 -8.010 -3.229 -4.397 1.00 -0.19 H new ATOM 1199 N ASP A 86 -10.933 -5.030 -5.312 1.00 -0.46 N ATOM 1200 CA ASP A 86 -10.640 -6.445 -5.104 1.00 0.04 C ATOM 1201 C ASP A 86 -9.157 -6.674 -5.318 1.00 0.62 C ATOM 1202 O ASP A 86 -8.657 -6.287 -6.363 1.00 -0.50 O ATOM 1203 CB ASP A 86 -11.456 -7.341 -6.077 1.00 -0.40 C ATOM 1204 CG ASP A 86 -10.954 -8.760 -6.065 1.00 0.71 C ATOM 1205 OD1 ASP A 86 -10.993 -9.409 -4.985 1.00 -0.72 O ATOM 1206 OD2 ASP A 86 -10.489 -9.234 -7.135 1.00 -0.72 O ATOM 0 H ASP A 86 -11.452 -4.815 -6.163 1.00 -0.46 H new ATOM 0 HA ASP A 86 -10.923 -6.715 -4.087 1.00 0.04 H new ATOM 0 HB2 ASP A 86 -12.509 -7.323 -5.795 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 -11.390 -6.938 -7.088 1.00 -0.40 H new ATOM 1211 N CYS A 87 -8.431 -7.303 -4.364 1.00 -0.46 N ATOM 1212 CA CYS A 87 -7.057 -7.721 -4.650 1.00 0.04 C ATOM 1213 C CYS A 87 -7.054 -8.993 -5.479 1.00 0.62 C ATOM 1214 O CYS A 87 -6.097 -9.199 -6.224 1.00 -0.50 O ATOM 1215 CB CYS A 87 -6.249 -7.942 -3.345 1.00 -0.10 C ATOM 1216 SG CYS A 87 -6.076 -6.375 -2.414 1.00 0.82 S ATOM 0 H CYS A 87 -8.766 -7.522 -3.426 1.00 -0.46 H new ATOM 0 HA CYS A 87 -6.579 -6.921 -5.215 1.00 0.04 H new ATOM 0 HB2 CYS A 87 -6.749 -8.686 -2.724 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 -5.262 -8.338 -3.585 1.00 -0.10 H new