USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=18 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 3 THR OG1 : rot 180:sc= -0.199 USER MOD Set 1.2: A 6 GLN : amide:sc= 0.236 K(o=0.036,f=-3.4!) USER MOD Single : A 8 THR OG1 : rot 69:sc= 0.358 USER MOD Single : A 9 SER OG : rot 76:sc= 0.641 USER MOD Single : A 10 ASN : amide:sc= -0.0172 K(o=-0.017,f=-1.9!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.4!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -52:sc= 0.111 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.989 K(o=0.99,f=-5.4!) USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0113) USER MOD Single : A 71 SER OG : rot 180:sc= 0.00469 USER MOD Single : A 72 THR OG1 : rot 52:sc= 0.296 USER MOD Single : A 76 ASN : amide:sc= -0.513 K(o=-0.51,f=-4.1!) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.314 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.301 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 6.430 -13.078 2.306 1.00 -0.46 N ATOM 14 CA ILE A 2 5.747 -11.801 2.509 1.00 0.04 C ATOM 15 C ILE A 2 4.626 -11.890 3.538 1.00 0.62 C ATOM 16 O ILE A 2 4.051 -12.958 3.680 1.00 -0.50 O ATOM 17 CB ILE A 2 5.186 -11.235 1.169 1.00 -0.01 C ATOM 18 CG1 ILE A 2 4.092 -12.130 0.501 1.00 -0.05 C ATOM 19 CG2 ILE A 2 6.308 -10.831 0.171 1.00 -0.09 C ATOM 20 CD1 ILE A 2 4.494 -13.412 -0.291 1.00 -0.09 C ATOM 0 HA ILE A 2 6.502 -11.118 2.897 1.00 0.04 H new ATOM 0 HB ILE A 2 4.669 -10.319 1.453 1.00 -0.01 H new ATOM 0 HG12 ILE A 2 3.405 -12.440 1.288 1.00 -0.05 H new ATOM 0 HG13 ILE A 2 3.528 -11.494 -0.181 1.00 -0.05 H new ATOM 0 HG21 ILE A 2 5.859 -10.444 -0.744 1.00 -0.09 H new ATOM 0 HG22 ILE A 2 6.936 -10.062 0.621 1.00 -0.09 H new ATOM 0 HG23 ILE A 2 6.917 -11.704 -0.065 1.00 -0.09 H new ATOM 0 HD11 ILE A 2 3.598 -13.897 -0.678 1.00 -0.09 H new ATOM 0 HD12 ILE A 2 5.145 -13.138 -1.121 1.00 -0.09 H new ATOM 0 HD13 ILE A 2 5.020 -14.099 0.372 1.00 -0.09 H new ATOM 32 N THR A 3 4.286 -10.806 4.279 1.00 -0.46 N ATOM 33 CA THR A 3 3.204 -10.899 5.268 1.00 0.04 C ATOM 34 C THR A 3 2.690 -9.528 5.651 1.00 0.62 C ATOM 35 O THR A 3 3.481 -8.598 5.652 1.00 -0.50 O ATOM 36 CB THR A 3 3.672 -11.594 6.582 1.00 0.17 C ATOM 37 OG1 THR A 3 4.591 -12.681 6.359 1.00 -0.55 O ATOM 38 CG2 THR A 3 2.499 -12.131 7.443 1.00 -0.19 C ATOM 0 H THR A 3 4.732 -9.891 4.210 1.00 -0.46 H new ATOM 0 HA THR A 3 2.420 -11.488 4.792 1.00 0.04 H new ATOM 0 HB THR A 3 4.182 -10.796 7.122 1.00 0.17 H new ATOM 0 HG1 THR A 3 4.848 -13.074 7.219 1.00 -0.55 H new ATOM 0 HG21 THR A 3 2.894 -12.603 8.343 1.00 -0.19 H new ATOM 0 HG22 THR A 3 1.846 -11.305 7.724 1.00 -0.19 H new ATOM 0 HG23 THR A 3 1.932 -12.863 6.869 1.00 -0.19 H new ATOM 46 N CYS A 4 1.392 -9.356 5.994 1.00 -0.46 N ATOM 47 CA CYS A 4 0.899 -8.023 6.340 1.00 0.04 C ATOM 48 C CYS A 4 1.678 -7.311 7.428 1.00 0.62 C ATOM 49 O CYS A 4 1.771 -6.095 7.354 1.00 -0.50 O ATOM 50 CB CYS A 4 -0.600 -8.034 6.746 1.00 -0.10 C ATOM 51 SG CYS A 4 -1.720 -8.653 5.442 1.00 0.82 S ATOM 0 H CYS A 4 0.697 -10.101 6.035 1.00 -0.46 H new ATOM 0 HA CYS A 4 1.041 -7.464 5.415 1.00 0.04 H new ATOM 0 HB2 CYS A 4 -0.720 -8.651 7.636 1.00 -0.10 H new ATOM 0 HB3 CYS A 4 -0.900 -7.022 7.017 1.00 -0.10 H new ATOM 56 N GLY A 5 2.242 -7.999 8.442 1.00 -0.46 N ATOM 57 CA GLY A 5 3.007 -7.275 9.458 1.00 0.04 C ATOM 58 C GLY A 5 4.118 -6.464 8.826 1.00 0.62 C ATOM 59 O GLY A 5 4.239 -5.283 9.117 1.00 -0.50 O ATOM 0 H GLY A 5 2.184 -9.009 8.572 1.00 -0.46 H new ATOM 0 HA2 GLY A 5 2.343 -6.615 10.017 1.00 0.04 H new ATOM 0 HA3 GLY A 5 3.429 -7.982 10.172 1.00 0.04 H new ATOM 63 N GLN A 6 4.943 -7.084 7.950 1.00 -0.46 N ATOM 64 CA GLN A 6 6.022 -6.334 7.304 1.00 0.04 C ATOM 65 C GLN A 6 5.437 -5.201 6.487 1.00 0.62 C ATOM 66 O GLN A 6 5.935 -4.086 6.548 1.00 -0.50 O ATOM 67 CB GLN A 6 6.894 -7.190 6.338 1.00 -0.10 C ATOM 68 CG GLN A 6 7.687 -8.326 7.045 1.00 -0.10 C ATOM 69 CD GLN A 6 6.860 -9.576 7.252 1.00 0.68 C ATOM 70 OE1 GLN A 6 6.115 -9.628 8.216 1.00 -0.47 O ATOM 71 NE2 GLN A 6 6.960 -10.600 6.373 1.00 -0.87 N ATOM 0 H GLN A 6 4.880 -8.067 7.687 1.00 -0.46 H new ATOM 0 HA GLN A 6 6.658 -5.980 8.115 1.00 0.04 H new ATOM 0 HB2 GLN A 6 6.250 -7.629 5.576 1.00 -0.10 H new ATOM 0 HB3 GLN A 6 7.597 -6.536 5.823 1.00 -0.10 H new ATOM 0 HG2 GLN A 6 8.567 -8.572 6.451 1.00 -0.10 H new ATOM 0 HG3 GLN A 6 8.044 -7.968 8.011 1.00 -0.10 H new ATOM 0 HE21 GLN A 6 7.592 -10.528 5.576 1.00 -0.87 H new ATOM 0 HE22 GLN A 6 6.403 -11.444 6.508 1.00 -0.87 H new ATOM 80 N VAL A 7 4.368 -5.486 5.709 1.00 -0.46 N ATOM 81 CA VAL A 7 3.791 -4.455 4.846 1.00 0.04 C ATOM 82 C VAL A 7 3.375 -3.298 5.729 1.00 0.62 C ATOM 83 O VAL A 7 3.819 -2.179 5.527 1.00 -0.50 O ATOM 84 CB VAL A 7 2.591 -4.974 3.990 1.00 -0.01 C ATOM 85 CG1 VAL A 7 1.963 -3.860 3.094 1.00 -0.09 C ATOM 86 CG2 VAL A 7 2.951 -6.211 3.111 1.00 -0.09 C ATOM 0 H VAL A 7 3.906 -6.394 5.667 1.00 -0.46 H new ATOM 0 HA VAL A 7 4.542 -4.139 4.122 1.00 0.04 H new ATOM 0 HB VAL A 7 1.849 -5.288 4.724 1.00 -0.01 H new ATOM 0 HG11 VAL A 7 1.134 -4.277 2.522 1.00 -0.09 H new ATOM 0 HG12 VAL A 7 1.597 -3.049 3.724 1.00 -0.09 H new ATOM 0 HG13 VAL A 7 2.719 -3.475 2.410 1.00 -0.09 H new ATOM 0 HG21 VAL A 7 2.074 -6.521 2.542 1.00 -0.09 H new ATOM 0 HG22 VAL A 7 3.755 -5.947 2.424 1.00 -0.09 H new ATOM 0 HG23 VAL A 7 3.276 -7.031 3.752 1.00 -0.09 H new ATOM 96 N THR A 8 2.522 -3.566 6.737 1.00 -0.46 N ATOM 97 CA THR A 8 1.976 -2.490 7.560 1.00 0.04 C ATOM 98 C THR A 8 3.115 -1.744 8.221 1.00 0.62 C ATOM 99 O THR A 8 3.069 -0.527 8.317 1.00 -0.50 O ATOM 100 CB THR A 8 0.990 -3.009 8.650 1.00 0.17 C ATOM 101 OG1 THR A 8 -0.063 -3.833 8.107 1.00 -0.55 O ATOM 102 CG2 THR A 8 0.258 -1.832 9.345 1.00 -0.19 C ATOM 0 H THR A 8 2.206 -4.502 6.991 1.00 -0.46 H new ATOM 0 HA THR A 8 1.410 -1.829 6.904 1.00 0.04 H new ATOM 0 HB THR A 8 1.614 -3.580 9.338 1.00 0.17 H new ATOM 0 HG1 THR A 8 0.314 -4.681 7.792 1.00 -0.55 H new ATOM 0 HG21 THR A 8 -0.423 -2.223 10.101 1.00 -0.19 H new ATOM 0 HG22 THR A 8 0.990 -1.178 9.819 1.00 -0.19 H new ATOM 0 HG23 THR A 8 -0.307 -1.267 8.604 1.00 -0.19 H new ATOM 110 N SER A 9 4.165 -2.461 8.681 1.00 -0.46 N ATOM 111 CA SER A 9 5.282 -1.788 9.347 1.00 0.04 C ATOM 112 C SER A 9 5.980 -0.853 8.382 1.00 0.62 C ATOM 113 O SER A 9 6.153 0.315 8.694 1.00 -0.50 O ATOM 114 CB SER A 9 6.311 -2.795 9.928 1.00 0.02 C ATOM 115 OG SER A 9 5.731 -3.623 10.952 1.00 -0.55 O ATOM 0 H SER A 9 4.255 -3.474 8.603 1.00 -0.46 H new ATOM 0 HA SER A 9 4.864 -1.220 10.178 1.00 0.04 H new ATOM 0 HB2 SER A 9 6.695 -3.425 9.126 1.00 0.02 H new ATOM 0 HB3 SER A 9 7.160 -2.250 10.340 1.00 0.02 H new ATOM 0 HG SER A 9 5.164 -4.307 10.538 1.00 -0.55 H new ATOM 121 N ASN A 10 6.383 -1.337 7.186 1.00 -0.46 N ATOM 122 CA ASN A 10 7.000 -0.438 6.205 1.00 0.04 C ATOM 123 C ASN A 10 6.121 0.761 5.926 1.00 0.62 C ATOM 124 O ASN A 10 6.650 1.828 5.655 1.00 -0.50 O ATOM 125 CB ASN A 10 7.219 -1.158 4.854 1.00 -0.09 C ATOM 126 CG ASN A 10 8.394 -2.104 4.910 1.00 0.68 C ATOM 127 OD1 ASN A 10 8.583 -2.765 5.915 1.00 -0.47 O ATOM 128 ND2 ASN A 10 9.207 -2.192 3.836 1.00 -0.87 N ATOM 0 H ASN A 10 6.294 -2.309 6.890 1.00 -0.46 H new ATOM 0 HA ASN A 10 7.950 -0.122 6.635 1.00 0.04 H new ATOM 0 HB2 ASN A 10 6.319 -1.711 4.586 1.00 -0.09 H new ATOM 0 HB3 ASN A 10 7.384 -0.419 4.070 1.00 -0.09 H new ATOM 0 HD21 ASN A 10 10.006 -2.826 3.852 1.00 -0.87 H new ATOM 0 HD22 ASN A 10 9.022 -1.625 3.009 1.00 -0.87 H new ATOM 135 N LEU A 11 4.779 0.620 5.988 1.00 -0.46 N ATOM 136 CA LEU A 11 3.908 1.776 5.781 1.00 0.04 C ATOM 137 C LEU A 11 3.944 2.773 6.933 1.00 0.62 C ATOM 138 O LEU A 11 3.204 3.738 6.832 1.00 -0.50 O ATOM 139 CB LEU A 11 2.444 1.318 5.488 1.00 -0.06 C ATOM 140 CG LEU A 11 2.264 0.485 4.180 1.00 -0.01 C ATOM 141 CD1 LEU A 11 0.785 -0.001 4.105 1.00 -0.11 C ATOM 142 CD2 LEU A 11 2.679 1.252 2.883 1.00 -0.11 C ATOM 0 H LEU A 11 4.295 -0.258 6.174 1.00 -0.46 H new ATOM 0 HA LEU A 11 4.298 2.303 4.910 1.00 0.04 H new ATOM 0 HB2 LEU A 11 2.089 0.725 6.331 1.00 -0.06 H new ATOM 0 HB3 LEU A 11 1.808 2.201 5.429 1.00 -0.06 H new ATOM 0 HG LEU A 11 2.943 -0.366 4.228 1.00 -0.01 H new ATOM 0 HD11 LEU A 11 0.640 -0.586 3.197 1.00 -0.11 H new ATOM 0 HD12 LEU A 11 0.561 -0.619 4.974 1.00 -0.11 H new ATOM 0 HD13 LEU A 11 0.119 0.862 4.092 1.00 -0.11 H new ATOM 0 HD21 LEU A 11 2.526 0.610 2.016 1.00 -0.11 H new ATOM 0 HD22 LEU A 11 2.070 2.150 2.781 1.00 -0.11 H new ATOM 0 HD23 LEU A 11 3.731 1.532 2.946 1.00 -0.11 H new ATOM 154 N ALA A 12 4.750 2.637 8.017 1.00 -0.46 N ATOM 155 CA ALA A 12 4.619 3.542 9.168 1.00 0.04 C ATOM 156 C ALA A 12 4.476 5.019 8.818 1.00 0.62 C ATOM 157 O ALA A 12 3.484 5.595 9.241 1.00 -0.50 O ATOM 158 CB ALA A 12 5.710 3.350 10.264 1.00 -0.10 C ATOM 0 H ALA A 12 5.476 1.927 8.110 1.00 -0.46 H new ATOM 0 HA ALA A 12 3.666 3.227 9.592 1.00 0.04 H new ATOM 0 HB1 ALA A 12 5.539 4.057 11.076 1.00 -0.10 H new ATOM 0 HB2 ALA A 12 5.661 2.333 10.652 1.00 -0.10 H new ATOM 0 HB3 ALA A 12 6.695 3.526 9.832 1.00 -0.10 H new ATOM 164 N PRO A 13 5.374 5.708 8.061 1.00 -0.23 N ATOM 165 CA PRO A 13 5.131 7.121 7.762 1.00 0.04 C ATOM 166 C PRO A 13 4.037 7.283 6.723 1.00 0.53 C ATOM 167 O PRO A 13 3.517 8.376 6.575 1.00 -0.50 O ATOM 168 CB PRO A 13 6.512 7.502 7.173 1.00 -0.12 C ATOM 169 CG PRO A 13 6.925 6.203 6.446 1.00 -0.12 C ATOM 170 CD PRO A 13 6.567 5.103 7.473 1.00 -0.01 C ATOM 0 HA PRO A 13 4.800 7.723 8.608 1.00 0.04 H new ATOM 0 HB2 PRO A 13 6.444 8.348 6.489 1.00 -0.12 H new ATOM 0 HB3 PRO A 13 7.224 7.778 7.950 1.00 -0.12 H new ATOM 0 HG2 PRO A 13 6.382 6.074 5.510 1.00 -0.12 H new ATOM 0 HG3 PRO A 13 7.987 6.197 6.202 1.00 -0.12 H new ATOM 0 HD2 PRO A 13 6.362 4.141 7.003 1.00 -0.01 H new ATOM 0 HD3 PRO A 13 7.358 4.938 8.205 1.00 -0.01 H new ATOM 178 N CYS A 14 3.650 6.222 5.978 1.00 -0.46 N ATOM 179 CA CYS A 14 2.554 6.354 5.024 1.00 0.04 C ATOM 180 C CYS A 14 1.265 6.426 5.813 1.00 0.62 C ATOM 181 O CYS A 14 0.458 7.308 5.572 1.00 -0.50 O ATOM 182 CB CYS A 14 2.456 5.116 4.099 1.00 -0.10 C ATOM 183 SG CYS A 14 4.068 4.618 3.420 1.00 0.82 S ATOM 0 H CYS A 14 4.074 5.295 6.024 1.00 -0.46 H new ATOM 0 HA CYS A 14 2.727 7.241 4.415 1.00 0.04 H new ATOM 0 HB2 CYS A 14 2.029 4.283 4.657 1.00 -0.10 H new ATOM 0 HB3 CYS A 14 1.772 5.334 3.278 1.00 -0.10 H new ATOM 188 N LEU A 15 1.063 5.493 6.771 1.00 -0.46 N ATOM 189 CA LEU A 15 -0.136 5.512 7.606 1.00 0.04 C ATOM 190 C LEU A 15 -0.383 6.925 8.099 1.00 0.62 C ATOM 191 O LEU A 15 -1.503 7.411 8.058 1.00 -0.50 O ATOM 192 CB LEU A 15 0.038 4.565 8.833 1.00 -0.06 C ATOM 193 CG LEU A 15 0.208 3.037 8.519 1.00 -0.01 C ATOM 194 CD1 LEU A 15 0.117 2.196 9.834 1.00 -0.11 C ATOM 195 CD2 LEU A 15 -0.745 2.481 7.422 1.00 -0.11 C ATOM 0 H LEU A 15 1.711 4.732 6.975 1.00 -0.46 H new ATOM 0 HA LEU A 15 -0.983 5.169 7.011 1.00 0.04 H new ATOM 0 HB2 LEU A 15 0.909 4.896 9.399 1.00 -0.06 H new ATOM 0 HB3 LEU A 15 -0.829 4.685 9.483 1.00 -0.06 H new ATOM 0 HG LEU A 15 1.205 2.937 8.089 1.00 -0.01 H new ATOM 0 HD11 LEU A 15 0.237 1.138 9.599 1.00 -0.11 H new ATOM 0 HD12 LEU A 15 0.905 2.507 10.520 1.00 -0.11 H new ATOM 0 HD13 LEU A 15 -0.855 2.356 10.302 1.00 -0.11 H new ATOM 0 HD21 LEU A 15 -0.551 1.418 7.276 1.00 -0.11 H new ATOM 0 HD22 LEU A 15 -1.780 2.622 7.734 1.00 -0.11 H new ATOM 0 HD23 LEU A 15 -0.572 3.013 6.486 1.00 -0.11 H new ATOM 207 N ALA A 16 0.684 7.611 8.560 1.00 -0.46 N ATOM 208 CA ALA A 16 0.537 8.995 9.007 1.00 0.04 C ATOM 209 C ALA A 16 0.002 9.885 7.897 1.00 0.62 C ATOM 210 O ALA A 16 -0.892 10.679 8.148 1.00 -0.50 O ATOM 211 CB ALA A 16 1.906 9.512 9.522 1.00 -0.10 C ATOM 0 H ALA A 16 1.629 7.234 8.628 1.00 -0.46 H new ATOM 0 HA ALA A 16 -0.190 9.027 9.818 1.00 0.04 H new ATOM 0 HB1 ALA A 16 1.803 10.544 9.857 1.00 -0.10 H new ATOM 0 HB2 ALA A 16 2.239 8.892 10.354 1.00 -0.10 H new ATOM 0 HB3 ALA A 16 2.639 9.463 8.717 1.00 -0.10 H new ATOM 217 N TYR A 17 0.527 9.773 6.656 1.00 -0.46 N ATOM 218 CA TYR A 17 -0.027 10.548 5.538 1.00 0.04 C ATOM 219 C TYR A 17 -1.487 10.202 5.335 1.00 0.62 C ATOM 220 O TYR A 17 -2.304 11.097 5.181 1.00 -0.50 O ATOM 221 CB TYR A 17 0.779 10.289 4.234 1.00 -0.10 C ATOM 222 CG TYR A 17 0.199 11.005 2.997 1.00 -0.03 C ATOM 223 CD1 TYR A 17 0.173 12.401 2.938 1.00 0.00 C ATOM 224 CD2 TYR A 17 -0.289 10.272 1.912 1.00 0.00 C ATOM 225 CE1 TYR A 17 -0.254 13.053 1.775 1.00 -0.26 C ATOM 226 CE2 TYR A 17 -0.672 10.913 0.732 1.00 -0.26 C ATOM 227 CZ TYR A 17 -0.642 12.307 0.655 1.00 0.46 C ATOM 228 OH TYR A 17 -0.999 12.943 -0.526 1.00 -0.53 O ATOM 0 H TYR A 17 1.312 9.169 6.413 1.00 -0.46 H new ATOM 0 HA TYR A 17 0.052 11.608 5.781 1.00 0.04 H new ATOM 0 HB2 TYR A 17 1.809 10.615 4.382 1.00 -0.10 H new ATOM 0 HB3 TYR A 17 0.809 9.216 4.042 1.00 -0.10 H new ATOM 0 HD1 TYR A 17 0.484 12.980 3.795 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.371 9.198 1.987 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.284 14.132 1.741 1.00 -0.26 H new ATOM 0 HE2 TYR A 17 -0.991 10.331 -0.120 1.00 -0.26 H new ATOM 0 HH TYR A 17 -1.239 12.272 -1.199 1.00 -0.53 H new ATOM 238 N LEU A 18 -1.850 8.903 5.353 1.00 -0.46 N ATOM 239 CA LEU A 18 -3.252 8.515 5.173 1.00 0.04 C ATOM 240 C LEU A 18 -4.135 9.125 6.244 1.00 0.62 C ATOM 241 O LEU A 18 -5.232 9.577 5.951 1.00 -0.50 O ATOM 242 CB LEU A 18 -3.421 6.971 5.258 1.00 -0.06 C ATOM 243 CG LEU A 18 -2.541 6.143 4.273 1.00 -0.01 C ATOM 244 CD1 LEU A 18 -2.960 4.645 4.279 1.00 -0.11 C ATOM 245 CD2 LEU A 18 -2.655 6.727 2.844 1.00 -0.11 C ATOM 0 H LEU A 18 -1.204 8.125 5.488 1.00 -0.46 H new ATOM 0 HA LEU A 18 -3.548 8.878 4.189 1.00 0.04 H new ATOM 0 HB2 LEU A 18 -3.193 6.654 6.276 1.00 -0.06 H new ATOM 0 HB3 LEU A 18 -4.468 6.727 5.075 1.00 -0.06 H new ATOM 0 HG LEU A 18 -1.504 6.205 4.602 1.00 -0.01 H new ATOM 0 HD11 LEU A 18 -2.331 4.089 3.584 1.00 -0.11 H new ATOM 0 HD12 LEU A 18 -2.840 4.238 5.283 1.00 -0.11 H new ATOM 0 HD13 LEU A 18 -4.003 4.558 3.975 1.00 -0.11 H new ATOM 0 HD21 LEU A 18 -2.037 6.143 2.162 1.00 -0.11 H new ATOM 0 HD22 LEU A 18 -3.694 6.688 2.517 1.00 -0.11 H new ATOM 0 HD23 LEU A 18 -2.314 7.762 2.846 1.00 -0.11 H new ATOM 257 N ARG A 19 -3.641 9.142 7.501 1.00 -0.46 N ATOM 258 CA ARG A 19 -4.381 9.742 8.618 1.00 0.04 C ATOM 259 C ARG A 19 -4.473 11.255 8.511 1.00 0.62 C ATOM 260 O ARG A 19 -5.172 11.840 9.322 1.00 -0.50 O ATOM 261 CB ARG A 19 -3.683 9.238 9.917 1.00 -0.08 C ATOM 262 CG ARG A 19 -4.352 9.639 11.262 1.00 -0.10 C ATOM 263 CD ARG A 19 -3.567 9.031 12.464 1.00 -0.23 C ATOM 264 NE ARG A 19 -3.710 7.573 12.565 1.00 -0.32 N ATOM 265 CZ ARG A 19 -2.939 6.791 13.291 1.00 0.76 C ATOM 266 NH1 ARG A 19 -1.973 7.240 14.051 1.00 -0.62 N ATOM 267 NH2 ARG A 19 -3.143 5.496 13.263 1.00 -0.62 N ATOM 0 H ARG A 19 -2.737 8.748 7.761 1.00 -0.46 H new ATOM 0 HA ARG A 19 -5.426 9.433 8.615 1.00 0.04 H new ATOM 0 HB2 ARG A 19 -3.627 8.150 9.874 1.00 -0.08 H new ATOM 0 HB3 ARG A 19 -2.659 9.610 9.921 1.00 -0.08 H new ATOM 0 HG2 ARG A 19 -4.381 10.725 11.351 1.00 -0.10 H new ATOM 0 HG3 ARG A 19 -5.384 9.290 11.280 1.00 -0.10 H new ATOM 0 HD2 ARG A 19 -2.511 9.281 12.364 1.00 -0.23 H new ATOM 0 HD3 ARG A 19 -3.917 9.490 13.389 1.00 -0.23 H new ATOM 0 HE ARG A 19 -4.462 7.134 12.034 1.00 -0.32 H new ATOM 0 HH11 ARG A 19 -1.787 8.242 14.101 1.00 -0.62 H new ATOM 0 HH12 ARG A 19 -1.406 6.588 14.593 1.00 -0.62 H new ATOM 0 HH21 ARG A 19 -3.889 5.110 12.685 1.00 -0.62 H new ATOM 0 HH22 ARG A 19 -2.555 4.875 13.819 1.00 -0.62 H new ATOM 281 N ASN A 20 -3.814 11.923 7.534 1.00 -0.46 N ATOM 282 CA ASN A 20 -3.932 13.376 7.400 1.00 0.04 C ATOM 283 C ASN A 20 -3.325 14.036 8.617 1.00 0.62 C ATOM 284 O ASN A 20 -3.999 14.768 9.324 1.00 -0.50 O ATOM 285 CB ASN A 20 -5.384 13.819 7.073 1.00 -0.09 C ATOM 286 CG ASN A 20 -5.418 15.218 6.491 1.00 0.68 C ATOM 287 OD1 ASN A 20 -4.607 16.044 6.864 1.00 -0.47 O ATOM 288 ND2 ASN A 20 -6.344 15.527 5.557 1.00 -0.87 N ATOM 0 H ASN A 20 -3.208 11.479 6.844 1.00 -0.46 H new ATOM 0 HA ASN A 20 -3.362 13.717 6.536 1.00 0.04 H new ATOM 0 HB2 ASN A 20 -5.829 13.119 6.366 1.00 -0.09 H new ATOM 0 HB3 ASN A 20 -5.989 13.786 7.979 1.00 -0.09 H new ATOM 0 HD21 ASN A 20 -6.369 16.464 5.155 1.00 -0.87 H new ATOM 0 HD22 ASN A 20 -7.018 14.823 5.254 1.00 -0.87 H new ATOM 295 N THR A 21 -2.020 13.767 8.853 1.00 -0.46 N ATOM 296 CA THR A 21 -1.325 14.366 9.993 1.00 0.04 C ATOM 297 C THR A 21 0.185 14.352 9.841 1.00 0.62 C ATOM 298 O THR A 21 0.784 15.388 10.085 1.00 -0.50 O ATOM 299 CB THR A 21 -1.760 13.727 11.345 1.00 0.17 C ATOM 300 OG1 THR A 21 -1.130 14.379 12.460 1.00 -0.55 O ATOM 301 CG2 THR A 21 -1.398 12.224 11.443 1.00 -0.19 C ATOM 0 H THR A 21 -1.446 13.151 8.277 1.00 -0.46 H new ATOM 0 HA THR A 21 -1.629 15.413 10.007 1.00 0.04 H new ATOM 0 HB THR A 21 -2.843 13.848 11.378 1.00 0.17 H new ATOM 0 HG1 THR A 21 -1.424 13.957 13.294 1.00 -0.55 H new ATOM 0 HG21 THR A 21 -1.725 11.833 12.406 1.00 -0.19 H new ATOM 0 HG22 THR A 21 -1.895 11.677 10.642 1.00 -0.19 H new ATOM 0 HG23 THR A 21 -0.319 12.103 11.350 1.00 -0.19 H new ATOM 309 N GLY A 22 0.841 13.231 9.444 1.00 -0.46 N ATOM 310 CA GLY A 22 2.296 13.225 9.281 1.00 0.04 C ATOM 311 C GLY A 22 2.676 13.287 7.817 1.00 0.62 C ATOM 312 O GLY A 22 1.834 12.940 7.004 1.00 -0.50 O ATOM 0 H GLY A 22 0.385 12.342 9.237 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 2.729 14.075 9.809 1.00 0.04 H new ATOM 0 HA3 GLY A 22 2.713 12.324 9.731 1.00 0.04 H new ATOM 316 N PRO A 23 3.907 13.702 7.421 1.00 -0.23 N ATOM 317 CA PRO A 23 4.230 13.791 6.001 1.00 0.04 C ATOM 318 C PRO A 23 4.606 12.448 5.414 1.00 0.53 C ATOM 319 O PRO A 23 4.719 11.480 6.147 1.00 -0.50 O ATOM 320 CB PRO A 23 5.475 14.709 6.082 1.00 -0.12 C ATOM 321 CG PRO A 23 6.136 14.279 7.414 1.00 -0.12 C ATOM 322 CD PRO A 23 4.933 14.109 8.369 1.00 -0.01 C ATOM 0 HA PRO A 23 3.411 14.142 5.373 1.00 0.04 H new ATOM 0 HB2 PRO A 23 6.143 14.560 5.233 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 5.199 15.764 6.090 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 6.696 13.351 7.304 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 6.835 15.032 7.778 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 5.114 13.355 9.135 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 4.678 15.034 8.886 1.00 -0.01 H new ATOM 330 N LEU A 24 4.814 12.378 4.078 1.00 -0.46 N ATOM 331 CA LEU A 24 5.252 11.129 3.460 1.00 0.04 C ATOM 332 C LEU A 24 6.634 10.759 3.953 1.00 0.62 C ATOM 333 O LEU A 24 6.846 9.610 4.307 1.00 -0.50 O ATOM 334 CB LEU A 24 5.305 11.196 1.907 1.00 -0.06 C ATOM 335 CG LEU A 24 3.895 11.260 1.233 1.00 -0.01 C ATOM 336 CD1 LEU A 24 3.429 12.709 0.870 1.00 -0.11 C ATOM 337 CD2 LEU A 24 3.875 10.344 -0.027 1.00 -0.11 C ATOM 0 H LEU A 24 4.686 13.156 3.431 1.00 -0.46 H new ATOM 0 HA LEU A 24 4.512 10.382 3.745 1.00 0.04 H new ATOM 0 HB2 LEU A 24 5.881 12.072 1.609 1.00 -0.06 H new ATOM 0 HB3 LEU A 24 5.838 10.322 1.532 1.00 -0.06 H new ATOM 0 HG LEU A 24 3.179 10.900 1.972 1.00 -0.01 H new ATOM 0 HD11 LEU A 24 2.443 12.669 0.407 1.00 -0.11 H new ATOM 0 HD12 LEU A 24 3.380 13.313 1.776 1.00 -0.11 H new ATOM 0 HD13 LEU A 24 4.139 13.156 0.174 1.00 -0.11 H new ATOM 0 HD21 LEU A 24 2.892 10.390 -0.495 1.00 -0.11 H new ATOM 0 HD22 LEU A 24 4.630 10.684 -0.736 1.00 -0.11 H new ATOM 0 HD23 LEU A 24 4.089 9.316 0.267 1.00 -0.11 H new ATOM 349 N GLY A 25 7.602 11.701 3.972 1.00 -0.46 N ATOM 350 CA GLY A 25 8.941 11.362 4.458 1.00 0.04 C ATOM 351 C GLY A 25 9.497 10.126 3.778 1.00 0.62 C ATOM 352 O GLY A 25 9.610 10.152 2.562 1.00 -0.50 O ATOM 0 H GLY A 25 7.482 12.667 3.666 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 9.613 12.203 4.286 1.00 0.04 H new ATOM 0 HA3 GLY A 25 8.905 11.198 5.535 1.00 0.04 H new ATOM 356 N ARG A 26 9.839 9.034 4.511 1.00 -0.46 N ATOM 357 CA ARG A 26 10.377 7.829 3.869 1.00 0.04 C ATOM 358 C ARG A 26 9.289 6.857 3.463 1.00 0.62 C ATOM 359 O ARG A 26 9.591 5.697 3.225 1.00 -0.50 O ATOM 360 CB ARG A 26 11.404 7.134 4.803 1.00 -0.08 C ATOM 361 CG ARG A 26 12.593 8.071 5.152 1.00 -0.10 C ATOM 362 CD ARG A 26 13.603 7.350 6.084 1.00 -0.23 C ATOM 363 NE ARG A 26 14.747 8.200 6.425 1.00 -0.32 N ATOM 364 CZ ARG A 26 15.738 7.811 7.198 1.00 0.76 C ATOM 365 NH1 ARG A 26 15.791 6.618 7.738 1.00 -0.62 N ATOM 366 NH2 ARG A 26 16.720 8.643 7.443 1.00 -0.62 N ATOM 0 H ARG A 26 9.750 8.973 5.525 1.00 -0.46 H new ATOM 0 HA ARG A 26 10.879 8.147 2.955 1.00 0.04 H new ATOM 0 HB2 ARG A 26 10.907 6.821 5.721 1.00 -0.08 H new ATOM 0 HB3 ARG A 26 11.781 6.232 4.321 1.00 -0.08 H new ATOM 0 HG2 ARG A 26 13.095 8.386 4.237 1.00 -0.10 H new ATOM 0 HG3 ARG A 26 12.221 8.973 5.638 1.00 -0.10 H new ATOM 0 HD2 ARG A 26 13.095 7.043 6.998 1.00 -0.23 H new ATOM 0 HD3 ARG A 26 13.960 6.442 5.597 1.00 -0.23 H new ATOM 0 HE ARG A 26 14.777 9.145 6.042 1.00 -0.32 H new ATOM 0 HH11 ARG A 26 15.043 5.946 7.565 1.00 -0.62 H new ATOM 0 HH12 ARG A 26 16.580 6.361 8.331 1.00 -0.62 H new ATOM 0 HH21 ARG A 26 16.709 9.578 7.036 1.00 -0.62 H new ATOM 0 HH22 ARG A 26 17.495 8.355 8.040 1.00 -0.62 H new ATOM 380 N CYS A 27 8.011 7.279 3.352 1.00 -0.46 N ATOM 381 CA CYS A 27 6.986 6.358 2.878 1.00 0.04 C ATOM 382 C CYS A 27 7.387 5.786 1.539 1.00 0.62 C ATOM 383 O CYS A 27 7.376 4.575 1.384 1.00 -0.50 O ATOM 384 CB CYS A 27 5.627 7.103 2.776 1.00 -0.10 C ATOM 385 SG CYS A 27 4.420 6.008 1.999 1.00 0.82 S ATOM 0 H CYS A 27 7.684 8.218 3.578 1.00 -0.46 H new ATOM 0 HA CYS A 27 6.880 5.534 3.583 1.00 0.04 H new ATOM 0 HB2 CYS A 27 5.284 7.400 3.767 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 5.740 8.016 2.191 1.00 -0.10 H new ATOM 390 N CYS A 28 7.738 6.630 0.550 1.00 -0.46 N ATOM 391 CA CYS A 28 8.058 6.081 -0.764 1.00 0.04 C ATOM 392 C CYS A 28 9.164 5.050 -0.633 1.00 0.62 C ATOM 393 O CYS A 28 9.105 4.042 -1.319 1.00 -0.50 O ATOM 394 CB CYS A 28 8.403 7.193 -1.784 1.00 -0.10 C ATOM 395 SG CYS A 28 6.956 8.311 -1.845 1.00 0.82 S ATOM 0 H CYS A 28 7.803 7.644 0.634 1.00 -0.46 H new ATOM 0 HA CYS A 28 7.174 5.580 -1.159 1.00 0.04 H new ATOM 0 HB2 CYS A 28 9.299 7.734 -1.479 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 8.606 6.768 -2.767 1.00 -0.10 H new ATOM 400 N GLY A 29 10.164 5.261 0.255 1.00 -0.46 N ATOM 401 CA GLY A 29 11.194 4.240 0.455 1.00 0.04 C ATOM 402 C GLY A 29 10.597 2.930 0.924 1.00 0.62 C ATOM 403 O GLY A 29 10.931 1.889 0.379 1.00 -0.50 O ATOM 0 H GLY A 29 10.271 6.102 0.822 1.00 -0.46 H new ATOM 0 HA2 GLY A 29 11.735 4.081 -0.478 1.00 0.04 H new ATOM 0 HA3 GLY A 29 11.919 4.593 1.188 1.00 0.04 H new ATOM 407 N GLY A 30 9.711 2.944 1.946 1.00 -0.46 N ATOM 408 CA GLY A 30 9.093 1.689 2.374 1.00 0.04 C ATOM 409 C GLY A 30 8.286 1.103 1.237 1.00 0.62 C ATOM 410 O GLY A 30 8.440 -0.067 0.929 1.00 -0.50 O ATOM 0 H GLY A 30 9.424 3.775 2.463 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 9.862 0.983 2.689 1.00 0.04 H new ATOM 0 HA3 GLY A 30 8.450 1.865 3.236 1.00 0.04 H new ATOM 414 N VAL A 31 7.417 1.921 0.599 1.00 -0.46 N ATOM 415 CA VAL A 31 6.571 1.423 -0.491 1.00 0.04 C ATOM 416 C VAL A 31 7.466 0.745 -1.517 1.00 0.62 C ATOM 417 O VAL A 31 7.209 -0.387 -1.893 1.00 -0.50 O ATOM 418 CB VAL A 31 5.704 2.561 -1.119 1.00 -0.01 C ATOM 419 CG1 VAL A 31 4.881 2.064 -2.338 1.00 -0.09 C ATOM 420 CG2 VAL A 31 4.710 3.194 -0.098 1.00 -0.09 C ATOM 0 H VAL A 31 7.290 2.909 0.820 1.00 -0.46 H new ATOM 0 HA VAL A 31 5.858 0.696 -0.101 1.00 0.04 H new ATOM 0 HB VAL A 31 6.423 3.315 -1.438 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 4.294 2.889 -2.742 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 5.558 1.691 -3.106 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 4.212 1.263 -2.023 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 4.134 3.978 -0.589 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 4.032 2.426 0.274 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 5.267 3.621 0.736 1.00 -0.09 H new ATOM 430 N LYS A 32 8.542 1.423 -1.970 1.00 -0.46 N ATOM 431 CA LYS A 32 9.456 0.839 -2.959 1.00 0.04 C ATOM 432 C LYS A 32 9.897 -0.564 -2.578 1.00 0.62 C ATOM 433 O LYS A 32 9.794 -1.467 -3.394 1.00 -0.50 O ATOM 434 CB LYS A 32 10.693 1.773 -3.090 1.00 -0.10 C ATOM 435 CG LYS A 32 11.762 1.296 -4.110 1.00 -0.16 C ATOM 436 CD LYS A 32 12.985 2.257 -4.066 1.00 -0.18 C ATOM 437 CE LYS A 32 14.049 1.913 -5.142 1.00 -0.04 C ATOM 438 NZ LYS A 32 15.238 2.791 -5.007 1.00 -0.14 N ATOM 0 H LYS A 32 8.792 2.364 -1.667 1.00 -0.46 H new ATOM 0 HA LYS A 32 8.932 0.754 -3.911 1.00 0.04 H new ATOM 0 HB2 LYS A 32 10.352 2.767 -3.380 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 11.163 1.871 -2.111 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 12.076 0.279 -3.875 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 11.338 1.275 -5.114 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 12.643 3.282 -4.212 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 13.444 2.211 -3.078 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 14.349 0.870 -5.043 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 13.618 2.028 -6.136 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 15.937 2.544 -5.736 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 14.952 3.784 -5.124 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 15.660 2.662 -4.065 1.00 -0.14 H new ATOM 452 N ALA A 33 10.397 -0.778 -1.340 1.00 -0.46 N ATOM 453 CA ALA A 33 10.820 -2.125 -0.941 1.00 0.04 C ATOM 454 C ALA A 33 9.691 -3.125 -1.085 1.00 0.62 C ATOM 455 O ALA A 33 9.928 -4.249 -1.499 1.00 -0.50 O ATOM 456 CB ALA A 33 11.305 -2.137 0.530 1.00 -0.10 C ATOM 0 H ALA A 33 10.512 -0.058 -0.627 1.00 -0.46 H new ATOM 0 HA ALA A 33 11.638 -2.409 -1.603 1.00 0.04 H new ATOM 0 HB1 ALA A 33 11.613 -3.146 0.803 1.00 -0.10 H new ATOM 0 HB2 ALA A 33 12.150 -1.457 0.640 1.00 -0.10 H new ATOM 0 HB3 ALA A 33 10.494 -1.816 1.183 1.00 -0.10 H new ATOM 462 N LEU A 34 8.447 -2.724 -0.747 1.00 -0.46 N ATOM 463 CA LEU A 34 7.321 -3.654 -0.840 1.00 0.04 C ATOM 464 C LEU A 34 7.041 -3.940 -2.293 1.00 0.62 C ATOM 465 O LEU A 34 6.845 -5.088 -2.654 1.00 -0.50 O ATOM 466 CB LEU A 34 6.030 -3.070 -0.202 1.00 -0.06 C ATOM 467 CG LEU A 34 6.214 -2.656 1.289 1.00 -0.01 C ATOM 468 CD1 LEU A 34 4.974 -1.842 1.764 1.00 -0.11 C ATOM 469 CD2 LEU A 34 6.517 -3.896 2.179 1.00 -0.11 C ATOM 0 H LEU A 34 8.209 -1.789 -0.417 1.00 -0.46 H new ATOM 0 HA LEU A 34 7.594 -4.560 -0.299 1.00 0.04 H new ATOM 0 HB2 LEU A 34 5.710 -2.201 -0.777 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 5.232 -3.809 -0.271 1.00 -0.06 H new ATOM 0 HG LEU A 34 7.082 -2.004 1.385 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 5.106 -1.554 2.807 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 4.870 -0.947 1.151 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 4.078 -2.455 1.667 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 6.641 -3.579 3.215 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 5.690 -4.603 2.112 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 7.433 -4.376 1.834 1.00 -0.11 H new ATOM 481 N VAL A 35 7.025 -2.896 -3.149 1.00 -0.46 N ATOM 482 CA VAL A 35 6.708 -3.103 -4.564 1.00 0.04 C ATOM 483 C VAL A 35 7.629 -4.160 -5.131 1.00 0.62 C ATOM 484 O VAL A 35 7.153 -5.088 -5.770 1.00 -0.50 O ATOM 485 CB VAL A 35 6.787 -1.756 -5.339 1.00 -0.01 C ATOM 486 CG1 VAL A 35 6.737 -1.970 -6.876 1.00 -0.09 C ATOM 487 CG2 VAL A 35 5.605 -0.849 -4.900 1.00 -0.09 C ATOM 0 H VAL A 35 7.223 -1.930 -2.888 1.00 -0.46 H new ATOM 0 HA VAL A 35 5.685 -3.463 -4.673 1.00 0.04 H new ATOM 0 HB VAL A 35 7.740 -1.282 -5.103 1.00 -0.01 H new ATOM 0 HG11 VAL A 35 6.795 -1.005 -7.380 1.00 -0.09 H new ATOM 0 HG12 VAL A 35 7.578 -2.591 -7.184 1.00 -0.09 H new ATOM 0 HG13 VAL A 35 5.803 -2.464 -7.144 1.00 -0.09 H new ATOM 0 HG21 VAL A 35 5.653 0.097 -5.439 1.00 -0.09 H new ATOM 0 HG22 VAL A 35 4.662 -1.347 -5.124 1.00 -0.09 H new ATOM 0 HG23 VAL A 35 5.670 -0.660 -3.828 1.00 -0.09 H new ATOM 497 N ASN A 36 8.954 -4.051 -4.889 1.00 -0.46 N ATOM 498 CA ASN A 36 9.860 -5.106 -5.343 1.00 0.04 C ATOM 499 C ASN A 36 9.410 -6.453 -4.815 1.00 0.62 C ATOM 500 O ASN A 36 9.395 -7.402 -5.583 1.00 -0.50 O ATOM 501 CB ASN A 36 11.316 -4.842 -4.880 1.00 -0.09 C ATOM 502 CG ASN A 36 11.862 -3.627 -5.599 1.00 0.68 C ATOM 503 OD1 ASN A 36 11.900 -3.641 -6.814 1.00 -0.47 O ATOM 504 ND2 ASN A 36 12.298 -2.556 -4.901 1.00 -0.87 N ATOM 0 H ASN A 36 9.398 -3.273 -4.401 1.00 -0.46 H new ATOM 0 HA ASN A 36 9.834 -5.109 -6.433 1.00 0.04 H new ATOM 0 HB2 ASN A 36 11.343 -4.682 -3.802 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 11.939 -5.712 -5.089 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 12.666 -1.742 -5.393 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 12.259 -2.561 -3.882 1.00 -0.87 H new ATOM 511 N SER A 37 9.019 -6.560 -3.523 1.00 -0.46 N ATOM 512 CA SER A 37 8.501 -7.824 -2.991 1.00 0.04 C ATOM 513 C SER A 37 6.994 -7.886 -3.095 1.00 0.62 C ATOM 514 O SER A 37 6.370 -8.386 -2.174 1.00 -0.50 O ATOM 515 CB SER A 37 8.969 -7.983 -1.521 1.00 0.02 C ATOM 516 OG SER A 37 10.390 -7.750 -1.480 1.00 -0.55 O ATOM 0 H SER A 37 9.054 -5.796 -2.848 1.00 -0.46 H new ATOM 0 HA SER A 37 8.894 -8.650 -3.584 1.00 0.04 H new ATOM 0 HB2 SER A 37 8.448 -7.275 -0.876 1.00 0.02 H new ATOM 0 HB3 SER A 37 8.736 -8.982 -1.152 1.00 0.02 H new ATOM 0 HG SER A 37 10.710 -7.843 -0.559 1.00 -0.55 H new ATOM 522 N ALA A 38 6.397 -7.378 -4.197 1.00 -0.46 N ATOM 523 CA ALA A 38 4.945 -7.441 -4.365 1.00 0.04 C ATOM 524 C ALA A 38 4.599 -7.210 -5.816 1.00 0.62 C ATOM 525 O ALA A 38 3.741 -6.386 -6.083 1.00 -0.50 O ATOM 526 CB ALA A 38 4.208 -6.515 -3.368 1.00 -0.10 C ATOM 0 H ALA A 38 6.896 -6.929 -4.965 1.00 -0.46 H new ATOM 0 HA ALA A 38 4.585 -8.438 -4.111 1.00 0.04 H new ATOM 0 HB1 ALA A 38 3.132 -6.592 -3.527 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 4.447 -6.815 -2.348 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 4.525 -5.484 -3.526 1.00 -0.10 H new ATOM 532 N ARG A 39 5.250 -7.928 -6.765 1.00 -0.46 N ATOM 533 CA ARG A 39 4.963 -7.749 -8.189 1.00 0.04 C ATOM 534 C ARG A 39 5.115 -9.033 -8.985 1.00 0.62 C ATOM 535 O ARG A 39 5.543 -8.978 -10.127 1.00 -0.50 O ATOM 536 CB ARG A 39 5.829 -6.583 -8.774 1.00 -0.08 C ATOM 537 CG ARG A 39 5.137 -5.190 -8.828 1.00 -0.10 C ATOM 538 CD ARG A 39 4.354 -4.862 -10.143 1.00 -0.23 C ATOM 539 NE ARG A 39 3.271 -5.749 -10.573 1.00 -0.32 N ATOM 540 CZ ARG A 39 2.472 -5.497 -11.595 1.00 0.76 C ATOM 541 NH1 ARG A 39 2.580 -4.422 -12.335 1.00 -0.62 N ATOM 542 NH2 ARG A 39 1.531 -6.360 -11.877 1.00 -0.62 N ATOM 0 H ARG A 39 5.966 -8.625 -6.562 1.00 -0.46 H new ATOM 0 HA ARG A 39 3.913 -7.473 -8.282 1.00 0.04 H new ATOM 0 HB2 ARG A 39 6.737 -6.494 -8.177 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 6.137 -6.855 -9.784 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 4.445 -5.118 -7.989 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 5.897 -4.423 -8.681 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 3.934 -3.862 -10.033 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 5.081 -4.816 -10.954 1.00 -0.23 H new ATOM 0 HE ARG A 39 3.125 -6.614 -10.052 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 3.306 -3.734 -12.133 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 1.939 -4.272 -13.114 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 1.427 -7.204 -11.313 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 0.901 -6.189 -12.661 1.00 -0.62 H new ATOM 556 N THR A 40 4.746 -10.207 -8.430 1.00 -0.46 N ATOM 557 CA THR A 40 4.826 -11.445 -9.203 1.00 0.04 C ATOM 558 C THR A 40 3.616 -12.294 -8.896 1.00 0.62 C ATOM 559 O THR A 40 3.736 -13.471 -8.601 1.00 -0.50 O ATOM 560 CB THR A 40 6.208 -12.136 -9.015 1.00 0.17 C ATOM 561 OG1 THR A 40 6.344 -13.271 -9.885 1.00 -0.55 O ATOM 562 CG2 THR A 40 6.476 -12.627 -7.568 1.00 -0.19 C ATOM 0 H THR A 40 4.400 -10.315 -7.476 1.00 -0.46 H new ATOM 0 HA THR A 40 4.786 -11.245 -10.274 1.00 0.04 H new ATOM 0 HB THR A 40 6.934 -11.360 -9.257 1.00 0.17 H new ATOM 0 HG1 THR A 40 5.573 -13.865 -9.771 1.00 -0.55 H new ATOM 0 HG21 THR A 40 7.458 -13.097 -7.519 1.00 -0.19 H new ATOM 0 HG22 THR A 40 6.445 -11.779 -6.884 1.00 -0.19 H new ATOM 0 HG23 THR A 40 5.713 -13.351 -7.282 1.00 -0.19 H new ATOM 570 N THR A 41 2.417 -11.674 -8.983 1.00 -0.46 N ATOM 571 CA THR A 41 1.166 -12.397 -8.746 1.00 0.04 C ATOM 572 C THR A 41 0.998 -12.815 -7.301 1.00 0.62 C ATOM 573 O THR A 41 0.154 -12.253 -6.620 1.00 -0.50 O ATOM 574 CB THR A 41 0.957 -13.578 -9.739 1.00 0.17 C ATOM 575 OG1 THR A 41 0.974 -13.016 -11.064 1.00 -0.55 O ATOM 576 CG2 THR A 41 -0.379 -14.321 -9.457 1.00 -0.19 C ATOM 0 H THR A 41 2.299 -10.687 -9.213 1.00 -0.46 H new ATOM 0 HA THR A 41 0.365 -11.686 -8.950 1.00 0.04 H new ATOM 0 HB THR A 41 1.747 -14.321 -9.627 1.00 0.17 H new ATOM 0 HG1 THR A 41 0.847 -13.730 -11.724 1.00 -0.55 H new ATOM 0 HG21 THR A 41 -0.497 -15.140 -10.166 1.00 -0.19 H new ATOM 0 HG22 THR A 41 -0.367 -14.719 -8.442 1.00 -0.19 H new ATOM 0 HG23 THR A 41 -1.212 -13.626 -9.564 1.00 -0.19 H new ATOM 584 N GLU A 42 1.762 -13.802 -6.789 1.00 -0.46 N ATOM 585 CA GLU A 42 1.515 -14.281 -5.427 1.00 0.04 C ATOM 586 C GLU A 42 1.705 -13.153 -4.436 1.00 0.62 C ATOM 587 O GLU A 42 0.794 -12.816 -3.695 1.00 -0.50 O ATOM 588 CB GLU A 42 2.454 -15.477 -5.108 1.00 -0.18 C ATOM 589 CG GLU A 42 2.294 -15.981 -3.647 1.00 -0.40 C ATOM 590 CD GLU A 42 3.158 -17.181 -3.351 1.00 0.71 C ATOM 591 OE1 GLU A 42 3.890 -17.650 -4.264 1.00 -0.72 O ATOM 592 OE2 GLU A 42 3.105 -17.664 -2.188 1.00 -0.72 O ATOM 0 H GLU A 42 2.526 -14.264 -7.282 1.00 -0.46 H new ATOM 0 HA GLU A 42 0.485 -14.628 -5.347 1.00 0.04 H new ATOM 0 HB2 GLU A 42 2.243 -16.295 -5.797 1.00 -0.18 H new ATOM 0 HB3 GLU A 42 3.489 -15.178 -5.275 1.00 -0.18 H new ATOM 0 HG2 GLU A 42 2.549 -15.175 -2.958 1.00 -0.40 H new ATOM 0 HG3 GLU A 42 1.250 -16.236 -3.467 1.00 -0.40 H new ATOM 599 N ASP A 43 2.908 -12.547 -4.415 1.00 -0.46 N ATOM 600 CA ASP A 43 3.174 -11.482 -3.453 1.00 0.04 C ATOM 601 C ASP A 43 2.263 -10.286 -3.680 1.00 0.62 C ATOM 602 O ASP A 43 1.758 -9.715 -2.724 1.00 -0.50 O ATOM 603 CB ASP A 43 4.681 -11.122 -3.531 1.00 -0.40 C ATOM 604 CG ASP A 43 5.114 -10.689 -4.903 1.00 0.71 C ATOM 605 OD1 ASP A 43 4.318 -10.861 -5.865 1.00 -0.72 O ATOM 606 OD2 ASP A 43 6.246 -10.152 -5.037 1.00 -0.72 O ATOM 0 H ASP A 43 3.684 -12.774 -5.037 1.00 -0.46 H new ATOM 0 HA ASP A 43 2.950 -11.822 -2.442 1.00 0.04 H new ATOM 0 HB2 ASP A 43 4.895 -10.324 -2.820 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 5.271 -11.986 -3.226 1.00 -0.40 H new ATOM 611 N ARG A 44 2.023 -9.905 -4.954 1.00 -0.46 N ATOM 612 CA ARG A 44 1.091 -8.815 -5.264 1.00 0.04 C ATOM 613 C ARG A 44 -0.224 -8.993 -4.523 1.00 0.62 C ATOM 614 O ARG A 44 -0.733 -8.025 -3.976 1.00 -0.50 O ATOM 615 CB ARG A 44 0.862 -8.779 -6.805 1.00 -0.08 C ATOM 616 CG ARG A 44 -0.134 -7.698 -7.320 1.00 -0.10 C ATOM 617 CD ARG A 44 0.468 -6.280 -7.517 1.00 -0.23 C ATOM 618 NE ARG A 44 1.160 -5.725 -6.352 1.00 -0.32 N ATOM 619 CZ ARG A 44 0.563 -5.177 -5.319 1.00 0.76 C ATOM 620 NH1 ARG A 44 -0.733 -5.136 -5.172 1.00 -0.62 N ATOM 621 NH2 ARG A 44 1.301 -4.617 -4.390 1.00 -0.62 N ATOM 0 H ARG A 44 2.459 -10.334 -5.770 1.00 -0.46 H new ATOM 0 HA ARG A 44 1.518 -7.867 -4.936 1.00 0.04 H new ATOM 0 HB2 ARG A 44 1.824 -8.620 -7.292 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 0.502 -9.758 -7.122 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 -0.549 -8.034 -8.270 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 -0.964 -7.628 -6.617 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 1.168 -6.313 -8.352 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 -0.335 -5.599 -7.800 1.00 -0.23 H new ATOM 0 HE ARG A 44 2.179 -5.767 -6.342 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 -1.340 -5.544 -5.883 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 -1.139 -4.696 -4.346 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 2.317 -4.613 -4.479 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 0.859 -4.185 -3.579 1.00 -0.62 H new ATOM 635 N GLN A 45 -0.799 -10.218 -4.486 1.00 -0.46 N ATOM 636 CA GLN A 45 -2.083 -10.419 -3.800 1.00 0.04 C ATOM 637 C GLN A 45 -1.960 -10.113 -2.325 1.00 0.62 C ATOM 638 O GLN A 45 -2.802 -9.422 -1.772 1.00 -0.50 O ATOM 639 CB GLN A 45 -2.607 -11.883 -3.900 1.00 -0.10 C ATOM 640 CG GLN A 45 -3.016 -12.243 -5.348 1.00 -0.10 C ATOM 641 CD GLN A 45 -3.410 -13.697 -5.483 1.00 0.68 C ATOM 642 OE1 GLN A 45 -4.365 -14.107 -4.850 1.00 -0.47 O ATOM 643 NE2 GLN A 45 -2.704 -14.509 -6.299 1.00 -0.87 N ATOM 0 H GLN A 45 -0.403 -11.056 -4.912 1.00 -0.46 H new ATOM 0 HA GLN A 45 -2.778 -9.745 -4.300 1.00 0.04 H new ATOM 0 HB2 GLN A 45 -1.834 -12.571 -3.558 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 -3.463 -12.010 -3.237 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 -3.849 -11.612 -5.656 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 -2.187 -12.028 -6.022 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 -1.907 -14.142 -6.819 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 -2.968 -15.490 -6.395 1.00 -0.87 H new ATOM 652 N ILE A 46 -0.907 -10.641 -1.668 1.00 -0.46 N ATOM 653 CA ILE A 46 -0.792 -10.489 -0.217 1.00 0.04 C ATOM 654 C ILE A 46 -0.678 -9.010 0.067 1.00 0.62 C ATOM 655 O ILE A 46 -1.407 -8.488 0.899 1.00 -0.50 O ATOM 656 CB ILE A 46 0.439 -11.254 0.361 1.00 -0.01 C ATOM 657 CG1 ILE A 46 0.407 -12.792 0.063 1.00 -0.05 C ATOM 658 CG2 ILE A 46 0.655 -10.938 1.873 1.00 -0.09 C ATOM 659 CD1 ILE A 46 -0.720 -13.591 0.777 1.00 -0.09 C ATOM 0 H ILE A 46 -0.148 -11.160 -2.110 1.00 -0.46 H new ATOM 0 HA ILE A 46 -1.669 -10.919 0.266 1.00 0.04 H new ATOM 0 HB ILE A 46 1.313 -10.878 -0.171 1.00 -0.01 H new ATOM 0 HG12 ILE A 46 0.303 -12.933 -1.013 1.00 -0.05 H new ATOM 0 HG13 ILE A 46 1.368 -13.219 0.349 1.00 -0.05 H new ATOM 0 HG21 ILE A 46 1.521 -11.489 2.240 1.00 -0.09 H new ATOM 0 HG22 ILE A 46 0.824 -9.869 2.001 1.00 -0.09 H new ATOM 0 HG23 ILE A 46 -0.229 -11.235 2.437 1.00 -0.09 H new ATOM 0 HD11 ILE A 46 -0.650 -14.643 0.502 1.00 -0.09 H new ATOM 0 HD12 ILE A 46 -0.609 -13.490 1.857 1.00 -0.09 H new ATOM 0 HD13 ILE A 46 -1.691 -13.200 0.474 1.00 -0.09 H new ATOM 671 N ALA A 47 0.245 -8.308 -0.624 1.00 -0.46 N ATOM 672 CA ALA A 47 0.387 -6.882 -0.369 1.00 0.04 C ATOM 673 C ALA A 47 -0.926 -6.196 -0.634 1.00 0.62 C ATOM 674 O ALA A 47 -1.343 -5.417 0.204 1.00 -0.50 O ATOM 675 CB ALA A 47 1.484 -6.246 -1.243 1.00 -0.10 C ATOM 0 H ALA A 47 0.872 -8.694 -1.330 1.00 -0.46 H new ATOM 0 HA ALA A 47 0.679 -6.756 0.673 1.00 0.04 H new ATOM 0 HB1 ALA A 47 1.556 -5.182 -1.020 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 2.440 -6.726 -1.033 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 1.234 -6.380 -2.295 1.00 -0.10 H new ATOM 681 N CYS A 48 -1.611 -6.462 -1.766 1.00 -0.46 N ATOM 682 CA CYS A 48 -2.894 -5.801 -1.996 1.00 0.04 C ATOM 683 C CYS A 48 -3.793 -5.934 -0.783 1.00 0.62 C ATOM 684 O CYS A 48 -4.334 -4.933 -0.340 1.00 -0.50 O ATOM 685 CB CYS A 48 -3.614 -6.413 -3.222 1.00 -0.10 C ATOM 686 SG CYS A 48 -5.248 -5.640 -3.416 1.00 0.82 S ATOM 0 H CYS A 48 -1.308 -7.102 -2.500 1.00 -0.46 H new ATOM 0 HA CYS A 48 -2.691 -4.747 -2.183 1.00 0.04 H new ATOM 0 HB2 CYS A 48 -3.018 -6.258 -4.121 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 -3.723 -7.490 -3.093 1.00 -0.10 H new ATOM 691 N THR A 49 -3.977 -7.159 -0.240 1.00 -0.46 N ATOM 692 CA THR A 49 -4.874 -7.322 0.906 1.00 0.04 C ATOM 693 C THR A 49 -4.348 -6.557 2.103 1.00 0.62 C ATOM 694 O THR A 49 -5.113 -5.951 2.836 1.00 -0.50 O ATOM 695 CB THR A 49 -4.990 -8.818 1.322 1.00 0.17 C ATOM 696 OG1 THR A 49 -4.863 -9.672 0.175 1.00 -0.55 O ATOM 697 CG2 THR A 49 -6.322 -9.108 2.074 1.00 -0.19 C ATOM 0 H THR A 49 -3.530 -8.015 -0.568 1.00 -0.46 H new ATOM 0 HA THR A 49 -5.850 -6.942 0.603 1.00 0.04 H new ATOM 0 HB THR A 49 -4.172 -9.030 2.011 1.00 0.17 H new ATOM 0 HG1 THR A 49 -4.937 -10.608 0.455 1.00 -0.55 H new ATOM 0 HG21 THR A 49 -6.364 -10.163 2.347 1.00 -0.19 H new ATOM 0 HG22 THR A 49 -6.371 -8.498 2.976 1.00 -0.19 H new ATOM 0 HG23 THR A 49 -7.165 -8.867 1.427 1.00 -0.19 H new ATOM 705 N CYS A 50 -3.016 -6.598 2.324 1.00 -0.46 N ATOM 706 CA CYS A 50 -2.443 -5.926 3.489 1.00 0.04 C ATOM 707 C CYS A 50 -2.507 -4.418 3.359 1.00 0.62 C ATOM 708 O CYS A 50 -2.845 -3.750 4.319 1.00 -0.50 O ATOM 709 CB CYS A 50 -0.962 -6.332 3.647 1.00 -0.10 C ATOM 710 SG CYS A 50 -0.788 -8.145 3.713 1.00 0.82 S ATOM 0 H CYS A 50 -2.343 -7.076 1.726 1.00 -0.46 H new ATOM 0 HA CYS A 50 -3.027 -6.230 4.358 1.00 0.04 H new ATOM 0 HB2 CYS A 50 -0.382 -5.937 2.813 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 -0.555 -5.890 4.556 1.00 -0.10 H new ATOM 715 N LEU A 51 -2.177 -3.873 2.172 1.00 -0.46 N ATOM 716 CA LEU A 51 -2.288 -2.433 1.923 1.00 0.04 C ATOM 717 C LEU A 51 -3.727 -2.017 2.153 1.00 0.62 C ATOM 718 O LEU A 51 -3.995 -1.069 2.874 1.00 -0.50 O ATOM 719 CB LEU A 51 -1.862 -2.143 0.452 1.00 -0.06 C ATOM 720 CG LEU A 51 -0.316 -2.249 0.281 1.00 -0.01 C ATOM 721 CD1 LEU A 51 0.061 -2.667 -1.162 1.00 -0.11 C ATOM 722 CD2 LEU A 51 0.401 -0.911 0.644 1.00 -0.11 C ATOM 0 H LEU A 51 -1.833 -4.411 1.377 1.00 -0.46 H new ATOM 0 HA LEU A 51 -1.640 -1.870 2.594 1.00 0.04 H new ATOM 0 HB2 LEU A 51 -2.354 -2.849 -0.218 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 -2.195 -1.146 0.164 1.00 -0.06 H new ATOM 0 HG LEU A 51 0.023 -3.019 0.974 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 1.145 -2.732 -1.250 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 -0.381 -3.638 -1.387 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 -0.316 -1.925 -1.866 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 1.477 -1.027 0.512 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 0.039 -0.116 -0.008 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 0.189 -0.654 1.682 1.00 -0.11 H new ATOM 734 N LYS A 52 -4.671 -2.759 1.538 1.00 -0.46 N ATOM 735 CA LYS A 52 -6.092 -2.520 1.782 1.00 0.04 C ATOM 736 C LYS A 52 -6.381 -2.512 3.271 1.00 0.62 C ATOM 737 O LYS A 52 -6.989 -1.572 3.761 1.00 -0.50 O ATOM 738 CB LYS A 52 -6.902 -3.621 1.031 1.00 -0.10 C ATOM 739 CG LYS A 52 -8.342 -3.838 1.559 1.00 -0.16 C ATOM 740 CD LYS A 52 -9.096 -4.863 0.661 1.00 -0.18 C ATOM 741 CE LYS A 52 -10.498 -5.211 1.232 1.00 -0.04 C ATOM 742 NZ LYS A 52 -10.444 -6.134 2.398 1.00 -0.14 N ATOM 0 H LYS A 52 -4.472 -3.514 0.882 1.00 -0.46 H new ATOM 0 HA LYS A 52 -6.389 -1.541 1.405 1.00 0.04 H new ATOM 0 HB2 LYS A 52 -6.953 -3.358 -0.026 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 -6.358 -4.563 1.100 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 -8.310 -4.199 2.587 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 -8.879 -2.890 1.571 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 -9.204 -4.455 -0.344 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 -8.503 -5.774 0.573 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 -11.001 -4.291 1.529 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 -11.101 -5.665 0.445 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 -11.410 -6.327 2.733 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 -9.991 -7.026 2.114 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 -9.894 -5.695 3.163 1.00 -0.14 H new ATOM 756 N SER A 53 -5.955 -3.558 4.014 1.00 -0.46 N ATOM 757 CA SER A 53 -6.214 -3.603 5.455 1.00 0.04 C ATOM 758 C SER A 53 -5.574 -2.425 6.159 1.00 0.62 C ATOM 759 O SER A 53 -6.231 -1.758 6.943 1.00 -0.50 O ATOM 760 CB SER A 53 -5.668 -4.917 6.069 1.00 0.02 C ATOM 761 OG SER A 53 -5.924 -4.927 7.485 1.00 -0.55 O ATOM 0 H SER A 53 -5.444 -4.359 3.644 1.00 -0.46 H new ATOM 0 HA SER A 53 -7.294 -3.559 5.594 1.00 0.04 H new ATOM 0 HB2 SER A 53 -6.143 -5.777 5.597 1.00 0.02 H new ATOM 0 HB3 SER A 53 -4.598 -5.001 5.881 1.00 0.02 H new ATOM 0 HG SER A 53 -5.580 -5.758 7.874 1.00 -0.55 H new ATOM 767 N ALA A 54 -4.284 -2.148 5.874 1.00 -0.46 N ATOM 768 CA ALA A 54 -3.593 -1.017 6.488 1.00 0.04 C ATOM 769 C ALA A 54 -4.405 0.242 6.305 1.00 0.62 C ATOM 770 O ALA A 54 -4.705 0.916 7.278 1.00 -0.50 O ATOM 771 CB ALA A 54 -2.206 -0.803 5.825 1.00 -0.10 C ATOM 0 H ALA A 54 -3.713 -2.692 5.228 1.00 -0.46 H new ATOM 0 HA ALA A 54 -3.464 -1.233 7.549 1.00 0.04 H new ATOM 0 HB1 ALA A 54 -1.705 0.044 6.295 1.00 -0.10 H new ATOM 0 HB2 ALA A 54 -1.600 -1.700 5.952 1.00 -0.10 H new ATOM 0 HB3 ALA A 54 -2.338 -0.602 4.762 1.00 -0.10 H new ATOM 777 N ALA A 55 -4.777 0.564 5.049 1.00 -0.46 N ATOM 778 CA ALA A 55 -5.549 1.777 4.806 1.00 0.04 C ATOM 779 C ALA A 55 -6.848 1.721 5.579 1.00 0.62 C ATOM 780 O ALA A 55 -7.138 2.643 6.328 1.00 -0.50 O ATOM 781 CB ALA A 55 -5.769 1.935 3.280 1.00 -0.10 C ATOM 0 H ALA A 55 -4.559 0.014 4.218 1.00 -0.46 H new ATOM 0 HA ALA A 55 -5.009 2.656 5.158 1.00 0.04 H new ATOM 0 HB1 ALA A 55 -6.346 2.840 3.087 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 -4.804 2.006 2.779 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 -6.313 1.070 2.899 1.00 -0.10 H new ATOM 787 N GLY A 56 -7.639 0.634 5.442 1.00 -0.46 N ATOM 788 CA GLY A 56 -8.875 0.529 6.217 1.00 0.04 C ATOM 789 C GLY A 56 -8.638 0.577 7.713 1.00 0.62 C ATOM 790 O GLY A 56 -9.559 0.940 8.429 1.00 -0.50 O ATOM 0 H GLY A 56 -7.446 -0.153 4.822 1.00 -0.46 H new ATOM 0 HA2 GLY A 56 -9.545 1.340 5.934 1.00 0.04 H new ATOM 0 HA3 GLY A 56 -9.379 -0.404 5.964 1.00 0.04 H new ATOM 794 N ALA A 57 -7.436 0.219 8.225 1.00 -0.46 N ATOM 795 CA ALA A 57 -7.188 0.327 9.665 1.00 0.04 C ATOM 796 C ALA A 57 -7.256 1.770 10.130 1.00 0.62 C ATOM 797 O ALA A 57 -7.459 1.995 11.314 1.00 -0.50 O ATOM 798 CB ALA A 57 -5.790 -0.236 10.078 1.00 -0.10 C ATOM 0 H ALA A 57 -6.653 -0.135 7.676 1.00 -0.46 H new ATOM 0 HA ALA A 57 -7.970 -0.267 10.138 1.00 0.04 H new ATOM 0 HB1 ALA A 57 -5.659 -0.131 11.155 1.00 -0.10 H new ATOM 0 HB2 ALA A 57 -5.727 -1.290 9.806 1.00 -0.10 H new ATOM 0 HB3 ALA A 57 -5.007 0.319 9.561 1.00 -0.10 H new ATOM 804 N ILE A 58 -7.056 2.767 9.235 1.00 -0.46 N ATOM 805 CA ILE A 58 -6.933 4.155 9.681 1.00 0.04 C ATOM 806 C ILE A 58 -8.303 4.733 9.972 1.00 0.62 C ATOM 807 O ILE A 58 -9.183 4.601 9.137 1.00 -0.50 O ATOM 808 CB ILE A 58 -6.120 4.990 8.647 1.00 -0.01 C ATOM 809 CG1 ILE A 58 -4.705 4.379 8.380 1.00 -0.05 C ATOM 810 CG2 ILE A 58 -6.014 6.474 9.081 1.00 -0.09 C ATOM 811 CD1 ILE A 58 -3.731 4.419 9.593 1.00 -0.09 C ATOM 0 H ILE A 58 -6.979 2.631 8.227 1.00 -0.46 H new ATOM 0 HA ILE A 58 -6.372 4.193 10.615 1.00 0.04 H new ATOM 0 HB ILE A 58 -6.669 4.952 7.706 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 -4.827 3.343 8.065 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 -4.247 4.913 7.548 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 -5.441 7.030 8.339 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 -7.013 6.901 9.163 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 -5.513 6.536 10.047 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 -2.778 3.973 9.309 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 -3.571 5.453 9.897 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 -4.161 3.859 10.423 1.00 -0.09 H new ATOM 823 N SER A 59 -8.520 5.372 11.149 1.00 -0.46 N ATOM 824 CA SER A 59 -9.866 5.829 11.500 1.00 0.04 C ATOM 825 C SER A 59 -10.211 7.041 10.671 1.00 0.62 C ATOM 826 O SER A 59 -11.233 7.033 10.004 1.00 -0.50 O ATOM 827 CB SER A 59 -10.029 6.179 13.005 1.00 0.02 C ATOM 828 OG SER A 59 -9.773 5.034 13.840 1.00 -0.55 O ATOM 0 H SER A 59 -7.800 5.572 11.843 1.00 -0.46 H new ATOM 0 HA SER A 59 -10.543 5.000 11.293 1.00 0.04 H new ATOM 0 HB2 SER A 59 -9.344 6.985 13.269 1.00 0.02 H new ATOM 0 HB3 SER A 59 -11.039 6.546 13.188 1.00 0.02 H new ATOM 0 HG SER A 59 -9.881 5.285 14.781 1.00 -0.55 H new ATOM 834 N GLY A 60 -9.352 8.090 10.679 1.00 -0.46 N ATOM 835 CA GLY A 60 -9.591 9.254 9.826 1.00 0.04 C ATOM 836 C GLY A 60 -8.909 9.066 8.491 1.00 0.62 C ATOM 837 O GLY A 60 -8.260 9.986 8.016 1.00 -0.50 O ATOM 0 H GLY A 60 -8.512 8.144 11.255 1.00 -0.46 H new ATOM 0 HA2 GLY A 60 -10.662 9.394 9.680 1.00 0.04 H new ATOM 0 HA3 GLY A 60 -9.215 10.154 10.312 1.00 0.04 H new ATOM 841 N ILE A 61 -9.042 7.876 7.859 1.00 -0.46 N ATOM 842 CA ILE A 61 -8.401 7.663 6.563 1.00 0.04 C ATOM 843 C ILE A 61 -8.870 8.728 5.593 1.00 0.62 C ATOM 844 O ILE A 61 -10.069 8.938 5.502 1.00 -0.50 O ATOM 845 CB ILE A 61 -8.653 6.242 5.963 1.00 -0.01 C ATOM 846 CG1 ILE A 61 -7.794 6.060 4.667 1.00 -0.05 C ATOM 847 CG2 ILE A 61 -10.164 5.953 5.716 1.00 -0.09 C ATOM 848 CD1 ILE A 61 -8.222 4.876 3.766 1.00 -0.09 C ATOM 0 H ILE A 61 -9.570 7.081 8.219 1.00 -0.46 H new ATOM 0 HA ILE A 61 -7.326 7.734 6.725 1.00 0.04 H new ATOM 0 HB ILE A 61 -8.336 5.502 6.697 1.00 -0.01 H new ATOM 0 HG12 ILE A 61 -7.843 6.979 4.083 1.00 -0.05 H new ATOM 0 HG13 ILE A 61 -6.752 5.921 4.955 1.00 -0.05 H new ATOM 0 HG21 ILE A 61 -10.280 4.953 5.299 1.00 -0.09 H new ATOM 0 HG22 ILE A 61 -10.706 6.018 6.660 1.00 -0.09 H new ATOM 0 HG23 ILE A 61 -10.565 6.686 5.016 1.00 -0.09 H new ATOM 0 HD11 ILE A 61 -7.571 4.829 2.893 1.00 -0.09 H new ATOM 0 HD12 ILE A 61 -8.144 3.945 4.327 1.00 -0.09 H new ATOM 0 HD13 ILE A 61 -9.253 5.019 3.442 1.00 -0.09 H new ATOM 860 N ASN A 62 -7.962 9.409 4.856 1.00 -0.46 N ATOM 861 CA ASN A 62 -8.396 10.368 3.839 1.00 0.04 C ATOM 862 C ASN A 62 -8.401 9.663 2.493 1.00 0.62 C ATOM 863 O ASN A 62 -7.357 9.181 2.082 1.00 -0.50 O ATOM 864 CB ASN A 62 -7.443 11.583 3.856 1.00 -0.09 C ATOM 865 CG ASN A 62 -7.811 12.573 2.770 1.00 0.68 C ATOM 866 OD1 ASN A 62 -7.412 12.377 1.635 1.00 -0.47 O ATOM 867 ND2 ASN A 62 -8.577 13.646 3.061 1.00 -0.87 N ATOM 0 H ASN A 62 -6.951 9.310 4.949 1.00 -0.46 H new ATOM 0 HA ASN A 62 -9.403 10.736 4.038 1.00 0.04 H new ATOM 0 HB2 ASN A 62 -7.487 12.072 4.829 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 -6.416 11.247 3.715 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 -8.830 14.307 2.326 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 -8.903 13.796 4.016 1.00 -0.87 H new ATOM 874 N LEU A 63 -9.559 9.578 1.797 1.00 -0.46 N ATOM 875 CA LEU A 63 -9.647 8.785 0.562 1.00 0.04 C ATOM 876 C LEU A 63 -8.687 9.341 -0.472 1.00 0.62 C ATOM 877 O LEU A 63 -7.886 8.593 -1.013 1.00 -0.50 O ATOM 878 CB LEU A 63 -11.133 8.754 0.074 1.00 -0.06 C ATOM 879 CG LEU A 63 -11.498 7.682 -0.999 1.00 -0.01 C ATOM 880 CD1 LEU A 63 -13.043 7.464 -1.018 1.00 -0.11 C ATOM 881 CD2 LEU A 63 -11.027 8.064 -2.434 1.00 -0.11 C ATOM 0 H LEU A 63 -10.426 10.041 2.068 1.00 -0.46 H new ATOM 0 HA LEU A 63 -9.347 7.752 0.741 1.00 0.04 H new ATOM 0 HB2 LEU A 63 -11.773 8.597 0.942 1.00 -0.06 H new ATOM 0 HB3 LEU A 63 -11.379 9.736 -0.330 1.00 -0.06 H new ATOM 0 HG LEU A 63 -10.975 6.768 -0.716 1.00 -0.01 H new ATOM 0 HD11 LEU A 63 -13.296 6.715 -1.768 1.00 -0.11 H new ATOM 0 HD12 LEU A 63 -13.374 7.122 -0.038 1.00 -0.11 H new ATOM 0 HD13 LEU A 63 -13.540 8.403 -1.261 1.00 -0.11 H new ATOM 0 HD21 LEU A 63 -11.312 7.277 -3.132 1.00 -0.11 H new ATOM 0 HD22 LEU A 63 -11.496 9.001 -2.733 1.00 -0.11 H new ATOM 0 HD23 LEU A 63 -9.943 8.181 -2.442 1.00 -0.11 H new ATOM 893 N GLY A 64 -8.745 10.662 -0.759 1.00 -0.46 N ATOM 894 CA GLY A 64 -7.887 11.226 -1.802 1.00 0.04 C ATOM 895 C GLY A 64 -6.419 10.978 -1.542 1.00 0.62 C ATOM 896 O GLY A 64 -5.709 10.639 -2.474 1.00 -0.50 O ATOM 0 H GLY A 64 -9.359 11.331 -0.295 1.00 -0.46 H new ATOM 0 HA2 GLY A 64 -8.160 10.794 -2.765 1.00 0.04 H new ATOM 0 HA3 GLY A 64 -8.064 12.299 -1.872 1.00 0.04 H new ATOM 900 N LYS A 65 -5.930 11.150 -0.295 1.00 -0.46 N ATOM 901 CA LYS A 65 -4.518 10.887 -0.016 1.00 0.04 C ATOM 902 C LYS A 65 -4.242 9.411 -0.182 1.00 0.62 C ATOM 903 O LYS A 65 -3.214 9.081 -0.748 1.00 -0.50 O ATOM 904 CB LYS A 65 -4.125 11.330 1.421 1.00 -0.10 C ATOM 905 CG LYS A 65 -4.102 12.882 1.557 1.00 -0.16 C ATOM 906 CD LYS A 65 -4.015 13.327 3.045 1.00 -0.18 C ATOM 907 CE LYS A 65 -3.594 14.812 3.224 1.00 -0.04 C ATOM 908 NZ LYS A 65 -4.442 15.750 2.448 1.00 -0.14 N ATOM 0 H LYS A 65 -6.479 11.460 0.507 1.00 -0.46 H new ATOM 0 HA LYS A 65 -3.920 11.465 -0.720 1.00 0.04 H new ATOM 0 HB2 LYS A 65 -4.832 10.912 2.137 1.00 -0.10 H new ATOM 0 HB3 LYS A 65 -3.143 10.928 1.671 1.00 -0.10 H new ATOM 0 HG2 LYS A 65 -3.251 13.283 1.007 1.00 -0.16 H new ATOM 0 HG3 LYS A 65 -5.001 13.301 1.104 1.00 -0.16 H new ATOM 0 HD2 LYS A 65 -4.984 13.173 3.519 1.00 -0.18 H new ATOM 0 HD3 LYS A 65 -3.300 12.690 3.565 1.00 -0.18 H new ATOM 0 HE2 LYS A 65 -3.645 15.074 4.281 1.00 -0.04 H new ATOM 0 HE3 LYS A 65 -2.555 14.930 2.916 1.00 -0.04 H new ATOM 0 HZ1 LYS A 65 -4.159 16.729 2.658 1.00 -0.14 H new ATOM 0 HZ2 LYS A 65 -4.323 15.566 1.431 1.00 -0.14 H new ATOM 0 HZ3 LYS A 65 -5.439 15.614 2.710 1.00 -0.14 H new ATOM 922 N ALA A 66 -5.123 8.495 0.277 1.00 -0.46 N ATOM 923 CA ALA A 66 -4.852 7.068 0.069 1.00 0.04 C ATOM 924 C ALA A 66 -4.729 6.767 -1.405 1.00 0.62 C ATOM 925 O ALA A 66 -3.776 6.123 -1.821 1.00 -0.50 O ATOM 926 CB ALA A 66 -5.879 6.118 0.764 1.00 -0.10 C ATOM 0 H ALA A 66 -5.989 8.710 0.772 1.00 -0.46 H new ATOM 0 HA ALA A 66 -3.900 6.861 0.557 1.00 0.04 H new ATOM 0 HB1 ALA A 66 -5.610 5.081 0.563 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 -5.867 6.294 1.840 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 -6.878 6.315 0.375 1.00 -0.10 H new ATOM 932 N ALA A 67 -5.684 7.250 -2.223 1.00 -0.46 N ATOM 933 CA ALA A 67 -5.578 7.021 -3.661 1.00 0.04 C ATOM 934 C ALA A 67 -4.460 7.827 -4.290 1.00 0.62 C ATOM 935 O ALA A 67 -3.902 7.375 -5.278 1.00 -0.50 O ATOM 936 CB ALA A 67 -6.927 7.317 -4.362 1.00 -0.10 C ATOM 0 H ALA A 67 -6.502 7.779 -1.922 1.00 -0.46 H new ATOM 0 HA ALA A 67 -5.332 5.968 -3.801 1.00 0.04 H new ATOM 0 HB1 ALA A 67 -6.827 7.140 -5.433 1.00 -0.10 H new ATOM 0 HB2 ALA A 67 -7.699 6.663 -3.957 1.00 -0.10 H new ATOM 0 HB3 ALA A 67 -7.206 8.357 -4.190 1.00 -0.10 H new ATOM 942 N GLY A 68 -4.104 9.010 -3.739 1.00 -0.46 N ATOM 943 CA GLY A 68 -2.974 9.779 -4.263 1.00 0.04 C ATOM 944 C GLY A 68 -1.642 9.250 -3.780 1.00 0.62 C ATOM 945 O GLY A 68 -0.634 9.558 -4.396 1.00 -0.50 O ATOM 0 H GLY A 68 -4.580 9.439 -2.945 1.00 -0.46 H new ATOM 0 HA2 GLY A 68 -2.997 9.757 -5.353 1.00 0.04 H new ATOM 0 HA3 GLY A 68 -3.078 10.822 -3.963 1.00 0.04 H new ATOM 949 N LEU A 69 -1.587 8.474 -2.674 1.00 -0.46 N ATOM 950 CA LEU A 69 -0.303 8.002 -2.170 1.00 0.04 C ATOM 951 C LEU A 69 0.558 7.376 -3.255 1.00 0.62 C ATOM 952 O LEU A 69 1.674 7.845 -3.425 1.00 -0.50 O ATOM 953 CB LEU A 69 -0.475 7.093 -0.917 1.00 -0.06 C ATOM 954 CG LEU A 69 0.873 6.475 -0.454 1.00 -0.01 C ATOM 955 CD1 LEU A 69 1.891 7.593 -0.112 1.00 -0.11 C ATOM 956 CD2 LEU A 69 0.657 5.571 0.786 1.00 -0.11 C ATOM 0 H LEU A 69 -2.399 8.175 -2.135 1.00 -0.46 H new ATOM 0 HA LEU A 69 0.252 8.879 -1.837 1.00 0.04 H new ATOM 0 HB2 LEU A 69 -0.905 7.676 -0.103 1.00 -0.06 H new ATOM 0 HB3 LEU A 69 -1.181 6.294 -1.143 1.00 -0.06 H new ATOM 0 HG LEU A 69 1.269 5.870 -1.270 1.00 -0.01 H new ATOM 0 HD11 LEU A 69 2.830 7.144 0.211 1.00 -0.11 H new ATOM 0 HD12 LEU A 69 2.067 8.207 -0.995 1.00 -0.11 H new ATOM 0 HD13 LEU A 69 1.492 8.215 0.689 1.00 -0.11 H new ATOM 0 HD21 LEU A 69 1.611 5.146 1.097 1.00 -0.11 H new ATOM 0 HD22 LEU A 69 0.241 6.164 1.600 1.00 -0.11 H new ATOM 0 HD23 LEU A 69 -0.033 4.766 0.534 1.00 -0.11 H new ATOM 968 N PRO A 70 0.154 6.338 -4.027 1.00 -0.23 N ATOM 969 CA PRO A 70 1.073 5.786 -5.012 1.00 0.04 C ATOM 970 C PRO A 70 1.272 6.763 -6.143 1.00 0.53 C ATOM 971 O PRO A 70 2.365 6.814 -6.682 1.00 -0.50 O ATOM 972 CB PRO A 70 0.303 4.516 -5.439 1.00 -0.12 C ATOM 973 CG PRO A 70 -1.185 4.835 -5.194 1.00 -0.12 C ATOM 974 CD PRO A 70 -1.172 5.743 -3.942 1.00 -0.01 C ATOM 0 HA PRO A 70 2.083 5.578 -4.658 1.00 0.04 H new ATOM 0 HB2 PRO A 70 0.486 4.280 -6.487 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 0.620 3.651 -4.857 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 -1.631 5.342 -6.050 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 -1.765 3.928 -5.023 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 -1.961 6.494 -3.972 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 -1.308 5.175 -3.022 1.00 -0.01 H new ATOM 982 N SER A 71 0.255 7.570 -6.517 1.00 -0.46 N ATOM 983 CA SER A 71 0.462 8.566 -7.567 1.00 0.04 C ATOM 984 C SER A 71 1.573 9.513 -7.171 1.00 0.62 C ATOM 985 O SER A 71 2.340 9.931 -8.025 1.00 -0.50 O ATOM 986 CB SER A 71 -0.846 9.370 -7.805 1.00 0.02 C ATOM 987 OG SER A 71 -1.977 8.480 -7.820 1.00 -0.55 O ATOM 0 H SER A 71 -0.683 7.548 -6.118 1.00 -0.46 H new ATOM 0 HA SER A 71 0.739 8.052 -8.487 1.00 0.04 H new ATOM 0 HB2 SER A 71 -0.971 10.117 -7.021 1.00 0.02 H new ATOM 0 HB3 SER A 71 -0.784 9.908 -8.751 1.00 0.02 H new ATOM 0 HG SER A 71 -2.797 8.996 -7.969 1.00 -0.55 H new ATOM 993 N THR A 72 1.673 9.862 -5.866 1.00 -0.46 N ATOM 994 CA THR A 72 2.721 10.783 -5.422 1.00 0.04 C ATOM 995 C THR A 72 4.060 10.202 -5.830 1.00 0.62 C ATOM 996 O THR A 72 4.883 10.910 -6.386 1.00 -0.50 O ATOM 997 CB THR A 72 2.741 11.043 -3.883 1.00 0.17 C ATOM 998 OG1 THR A 72 1.486 11.545 -3.377 1.00 -0.55 O ATOM 999 CG2 THR A 72 3.798 12.125 -3.521 1.00 -0.19 C ATOM 0 H THR A 72 1.055 9.525 -5.128 1.00 -0.46 H new ATOM 0 HA THR A 72 2.516 11.745 -5.892 1.00 0.04 H new ATOM 0 HB THR A 72 2.965 10.074 -3.438 1.00 0.17 H new ATOM 0 HG1 THR A 72 0.758 10.957 -3.667 1.00 -0.55 H new ATOM 0 HG21 THR A 72 3.795 12.291 -2.444 1.00 -0.19 H new ATOM 0 HG22 THR A 72 4.786 11.787 -3.833 1.00 -0.19 H new ATOM 0 HG23 THR A 72 3.555 13.057 -4.032 1.00 -0.19 H new ATOM 1007 N CYS A 73 4.300 8.899 -5.553 1.00 -0.46 N ATOM 1008 CA CYS A 73 5.547 8.241 -5.949 1.00 0.04 C ATOM 1009 C CYS A 73 5.230 7.188 -6.986 1.00 0.62 C ATOM 1010 O CYS A 73 5.263 6.011 -6.669 1.00 -0.50 O ATOM 1011 CB CYS A 73 6.215 7.651 -4.682 1.00 -0.10 C ATOM 1012 SG CYS A 73 6.954 9.022 -3.742 1.00 0.82 S ATOM 0 H CYS A 73 3.644 8.293 -5.059 1.00 -0.46 H new ATOM 0 HA CYS A 73 6.250 8.942 -6.398 1.00 0.04 H new ATOM 0 HB2 CYS A 73 5.479 7.125 -4.073 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 6.978 6.924 -4.958 1.00 -0.10 H new ATOM 1017 N GLY A 74 4.925 7.606 -8.236 1.00 -0.46 N ATOM 1018 CA GLY A 74 4.598 6.631 -9.275 1.00 0.04 C ATOM 1019 C GLY A 74 5.698 5.605 -9.474 1.00 0.62 C ATOM 1020 O GLY A 74 6.769 5.986 -9.916 1.00 -0.50 O ATOM 0 H GLY A 74 4.901 8.581 -8.533 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 3.672 6.120 -9.011 1.00 0.04 H new ATOM 0 HA3 GLY A 74 4.417 7.153 -10.215 1.00 0.04 H new ATOM 1024 N VAL A 75 5.456 4.310 -9.161 1.00 -0.46 N ATOM 1025 CA VAL A 75 6.448 3.239 -9.340 1.00 0.04 C ATOM 1026 C VAL A 75 5.657 2.051 -9.886 1.00 0.62 C ATOM 1027 O VAL A 75 4.554 2.295 -10.355 1.00 -0.50 O ATOM 1028 CB VAL A 75 7.157 2.972 -7.972 1.00 -0.01 C ATOM 1029 CG1 VAL A 75 8.100 4.130 -7.535 1.00 -0.09 C ATOM 1030 CG2 VAL A 75 6.106 2.685 -6.871 1.00 -0.09 C ATOM 0 H VAL A 75 4.568 3.985 -8.779 1.00 -0.46 H new ATOM 0 HA VAL A 75 7.252 3.478 -10.036 1.00 0.04 H new ATOM 0 HB VAL A 75 7.789 2.095 -8.112 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 8.561 3.883 -6.579 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 8.877 4.270 -8.287 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 7.524 5.050 -7.433 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 6.613 2.501 -5.924 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 5.444 3.545 -6.767 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 5.521 1.807 -7.146 1.00 -0.09 H new ATOM 1040 N ASN A 76 6.109 0.773 -9.858 1.00 -0.46 N ATOM 1041 CA ASN A 76 5.266 -0.310 -10.380 1.00 0.04 C ATOM 1042 C ASN A 76 4.081 -0.594 -9.464 1.00 0.62 C ATOM 1043 O ASN A 76 4.084 -1.621 -8.806 1.00 -0.50 O ATOM 1044 CB ASN A 76 6.096 -1.603 -10.626 1.00 -0.09 C ATOM 1045 CG ASN A 76 7.304 -1.366 -11.501 1.00 0.68 C ATOM 1046 OD1 ASN A 76 8.075 -0.471 -11.208 1.00 -0.47 O ATOM 1047 ND2 ASN A 76 7.512 -2.157 -12.575 1.00 -0.87 N ATOM 0 H ASN A 76 7.016 0.482 -9.494 1.00 -0.46 H new ATOM 0 HA ASN A 76 4.870 0.026 -11.338 1.00 0.04 H new ATOM 0 HB2 ASN A 76 6.421 -2.008 -9.668 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 5.459 -2.355 -11.091 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 8.332 -2.012 -13.164 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 6.849 -2.900 -12.797 1.00 -0.87 H new ATOM 1054 N ILE A 77 3.048 0.281 -9.401 1.00 -0.46 N ATOM 1055 CA ILE A 77 1.859 0.026 -8.572 1.00 0.04 C ATOM 1056 C ILE A 77 0.623 0.015 -9.452 1.00 0.62 C ATOM 1057 O ILE A 77 0.100 1.093 -9.683 1.00 -0.50 O ATOM 1058 CB ILE A 77 1.780 1.075 -7.414 1.00 -0.01 C ATOM 1059 CG1 ILE A 77 2.810 0.695 -6.313 1.00 -0.05 C ATOM 1060 CG2 ILE A 77 0.357 1.181 -6.790 1.00 -0.09 C ATOM 1061 CD1 ILE A 77 3.022 1.815 -5.255 1.00 -0.09 C ATOM 0 H ILE A 77 3.020 1.163 -9.913 1.00 -0.46 H new ATOM 0 HA ILE A 77 1.926 -0.954 -8.100 1.00 0.04 H new ATOM 0 HB ILE A 77 2.012 2.052 -7.839 1.00 -0.01 H new ATOM 0 HG12 ILE A 77 2.475 -0.212 -5.810 1.00 -0.05 H new ATOM 0 HG13 ILE A 77 3.766 0.464 -6.784 1.00 -0.05 H new ATOM 0 HG21 ILE A 77 0.364 1.924 -5.992 1.00 -0.09 H new ATOM 0 HG22 ILE A 77 -0.356 1.480 -7.558 1.00 -0.09 H new ATOM 0 HG23 ILE A 77 0.066 0.213 -6.382 1.00 -0.09 H new ATOM 0 HD11 ILE A 77 3.752 1.484 -4.517 1.00 -0.09 H new ATOM 0 HD12 ILE A 77 3.386 2.717 -5.748 1.00 -0.09 H new ATOM 0 HD13 ILE A 77 2.076 2.030 -4.758 1.00 -0.09 H new ATOM 1073 N PRO A 78 0.084 -1.127 -9.961 1.00 -0.23 N ATOM 1074 CA PRO A 78 -1.153 -1.062 -10.736 1.00 0.04 C ATOM 1075 C PRO A 78 -2.372 -1.063 -9.829 1.00 0.53 C ATOM 1076 O PRO A 78 -3.223 -1.925 -9.982 1.00 -0.50 O ATOM 1077 CB PRO A 78 -0.983 -2.374 -11.548 1.00 -0.12 C ATOM 1078 CG PRO A 78 -0.328 -3.334 -10.531 1.00 -0.12 C ATOM 1079 CD PRO A 78 0.717 -2.436 -9.828 1.00 -0.01 C ATOM 0 HA PRO A 78 -1.307 -0.169 -11.342 1.00 0.04 H new ATOM 0 HB2 PRO A 78 -1.941 -2.755 -11.903 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 -0.354 -2.226 -12.426 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 -1.057 -3.733 -9.826 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 0.139 -4.187 -11.024 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 0.870 -2.717 -8.786 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 1.691 -2.476 -10.315 1.00 -0.01 H new ATOM 1087 N TYR A 79 -2.482 -0.096 -8.884 1.00 -0.46 N ATOM 1088 CA TYR A 79 -3.640 -0.029 -7.978 1.00 0.04 C ATOM 1089 C TYR A 79 -3.652 1.318 -7.269 1.00 0.62 C ATOM 1090 O TYR A 79 -2.717 2.069 -7.491 1.00 -0.50 O ATOM 1091 CB TYR A 79 -3.705 -1.257 -7.018 1.00 -0.10 C ATOM 1092 CG TYR A 79 -2.405 -1.483 -6.234 1.00 -0.03 C ATOM 1093 CD1 TYR A 79 -1.336 -2.215 -6.777 1.00 0.00 C ATOM 1094 CD2 TYR A 79 -2.242 -0.979 -4.934 1.00 0.00 C ATOM 1095 CE1 TYR A 79 -0.127 -2.337 -6.099 1.00 -0.26 C ATOM 1096 CE2 TYR A 79 -0.990 -0.949 -4.335 1.00 -0.26 C ATOM 1097 CZ TYR A 79 0.058 -1.705 -4.865 1.00 0.46 C ATOM 1098 OH TYR A 79 1.274 -1.843 -4.195 1.00 -0.53 O ATOM 0 H TYR A 79 -1.788 0.637 -8.736 1.00 -0.46 H new ATOM 0 HA TYR A 79 -4.560 -0.094 -8.559 1.00 0.04 H new ATOM 0 HB2 TYR A 79 -4.526 -1.117 -6.315 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 -3.932 -2.152 -7.598 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 -1.455 -2.692 -7.739 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -3.101 -0.610 -4.393 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.673 -2.923 -6.528 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 -0.826 -0.340 -3.458 1.00 -0.26 H new ATOM 0 HH TYR A 79 1.242 -1.342 -3.353 1.00 -0.53 H new ATOM 1108 N LYS A 80 -4.678 1.672 -6.454 1.00 -0.46 N ATOM 1109 CA LYS A 80 -4.697 2.971 -5.768 1.00 0.04 C ATOM 1110 C LYS A 80 -5.004 2.757 -4.299 1.00 0.62 C ATOM 1111 O LYS A 80 -5.829 3.448 -3.724 1.00 -0.50 O ATOM 1112 CB LYS A 80 -5.589 4.034 -6.467 1.00 -0.10 C ATOM 1113 CG LYS A 80 -7.042 3.546 -6.723 1.00 -0.16 C ATOM 1114 CD LYS A 80 -7.192 2.800 -8.079 1.00 -0.18 C ATOM 1115 CE LYS A 80 -7.227 3.771 -9.293 1.00 -0.04 C ATOM 1116 NZ LYS A 80 -7.040 3.021 -10.558 1.00 -0.14 N ATOM 0 H LYS A 80 -5.487 1.081 -6.263 1.00 -0.46 H new ATOM 0 HA LYS A 80 -3.704 3.415 -5.836 1.00 0.04 H new ATOM 0 HB2 LYS A 80 -5.618 4.934 -5.853 1.00 -0.10 H new ATOM 0 HB3 LYS A 80 -5.134 4.312 -7.418 1.00 -0.10 H new ATOM 0 HG2 LYS A 80 -7.347 2.884 -5.913 1.00 -0.16 H new ATOM 0 HG3 LYS A 80 -7.717 4.402 -6.707 1.00 -0.16 H new ATOM 0 HD2 LYS A 80 -6.363 2.103 -8.200 1.00 -0.18 H new ATOM 0 HD3 LYS A 80 -8.107 2.208 -8.065 1.00 -0.18 H new ATOM 0 HE2 LYS A 80 -8.178 4.302 -9.315 1.00 -0.04 H new ATOM 0 HE3 LYS A 80 -6.444 4.522 -9.189 1.00 -0.04 H new ATOM 0 HZ1 LYS A 80 -7.066 3.682 -11.361 1.00 -0.14 H new ATOM 0 HZ2 LYS A 80 -6.121 2.534 -10.540 1.00 -0.14 H new ATOM 0 HZ3 LYS A 80 -7.802 2.321 -10.662 1.00 -0.14 H new ATOM 1130 N ILE A 81 -4.318 1.754 -3.705 1.00 -0.46 N ATOM 1131 CA ILE A 81 -4.534 1.379 -2.307 1.00 0.04 C ATOM 1132 C ILE A 81 -6.001 1.532 -1.959 1.00 0.62 C ATOM 1133 O ILE A 81 -6.348 2.194 -0.994 1.00 -0.50 O ATOM 1134 CB ILE A 81 -3.550 2.161 -1.379 1.00 -0.01 C ATOM 1135 CG1 ILE A 81 -2.081 1.956 -1.867 1.00 -0.05 C ATOM 1136 CG2 ILE A 81 -3.693 1.700 0.109 1.00 -0.09 C ATOM 1137 CD1 ILE A 81 -0.984 2.664 -1.023 1.00 -0.09 C ATOM 0 H ILE A 81 -3.611 1.194 -4.182 1.00 -0.46 H new ATOM 0 HA ILE A 81 -4.300 0.327 -2.145 1.00 0.04 H new ATOM 0 HB ILE A 81 -3.801 3.220 -1.430 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 -1.869 0.887 -1.881 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 -2.007 2.310 -2.895 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 -2.996 2.261 0.732 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 -4.712 1.882 0.450 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 -3.470 0.636 0.183 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 -0.004 2.454 -1.451 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 -1.159 3.740 -1.027 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 -1.019 2.295 0.002 1.00 -0.09 H new ATOM 1149 N SER A 82 -6.907 0.922 -2.758 1.00 -0.46 N ATOM 1150 CA SER A 82 -8.327 1.055 -2.437 1.00 0.04 C ATOM 1151 C SER A 82 -8.601 0.306 -1.144 1.00 0.62 C ATOM 1152 O SER A 82 -8.253 -0.866 -1.119 1.00 -0.50 O ATOM 1153 CB SER A 82 -9.249 0.479 -3.545 1.00 0.02 C ATOM 1154 OG SER A 82 -8.983 1.081 -4.821 1.00 -0.55 O ATOM 0 H SER A 82 -6.688 0.364 -3.584 1.00 -0.46 H new ATOM 0 HA SER A 82 -8.546 2.119 -2.345 1.00 0.04 H new ATOM 0 HB2 SER A 82 -9.106 -0.599 -3.614 1.00 0.02 H new ATOM 0 HB3 SER A 82 -10.292 0.645 -3.274 1.00 0.02 H new ATOM 0 HG SER A 82 -9.579 0.694 -5.496 1.00 -0.55 H new ATOM 1160 N PRO A 83 -9.220 0.836 -0.058 1.00 -0.23 N ATOM 1161 CA PRO A 83 -9.562 -0.038 1.059 1.00 0.04 C ATOM 1162 C PRO A 83 -10.640 -1.061 0.727 1.00 0.53 C ATOM 1163 O PRO A 83 -11.041 -1.763 1.641 1.00 -0.50 O ATOM 1164 CB PRO A 83 -10.082 0.974 2.112 1.00 -0.12 C ATOM 1165 CG PRO A 83 -9.548 2.334 1.608 1.00 -0.12 C ATOM 1166 CD PRO A 83 -9.585 2.237 0.064 1.00 -0.01 C ATOM 0 HA PRO A 83 -8.715 -0.645 1.378 1.00 0.04 H new ATOM 0 HB2 PRO A 83 -11.170 0.968 2.170 1.00 -0.12 H new ATOM 0 HB3 PRO A 83 -9.708 0.742 3.109 1.00 -0.12 H new ATOM 0 HG2 PRO A 83 -10.167 3.157 1.966 1.00 -0.12 H new ATOM 0 HG3 PRO A 83 -8.535 2.517 1.967 1.00 -0.12 H new ATOM 0 HD2 PRO A 83 -10.567 2.459 -0.353 1.00 -0.01 H new ATOM 0 HD3 PRO A 83 -8.874 2.906 -0.422 1.00 -0.01 H new ATOM 1174 N SER A 84 -11.139 -1.183 -0.530 1.00 -0.46 N ATOM 1175 CA SER A 84 -12.127 -2.210 -0.871 1.00 0.04 C ATOM 1176 C SER A 84 -11.844 -2.808 -2.236 1.00 0.62 C ATOM 1177 O SER A 84 -12.793 -3.148 -2.920 1.00 -0.50 O ATOM 1178 CB SER A 84 -13.527 -1.543 -0.774 1.00 0.02 C ATOM 1179 OG SER A 84 -13.721 -0.874 0.488 1.00 -0.55 O ATOM 0 H SER A 84 -10.869 -0.583 -1.310 1.00 -0.46 H new ATOM 0 HA SER A 84 -12.081 -3.051 -0.180 1.00 0.04 H new ATOM 0 HB2 SER A 84 -13.644 -0.825 -1.586 1.00 0.02 H new ATOM 0 HB3 SER A 84 -14.299 -2.301 -0.905 1.00 0.02 H new ATOM 0 HG SER A 84 -14.612 -0.467 0.509 1.00 -0.55 H new ATOM 1185 N THR A 85 -10.564 -2.950 -2.663 1.00 -0.46 N ATOM 1186 CA THR A 85 -10.277 -3.570 -3.961 1.00 0.04 C ATOM 1187 C THR A 85 -10.278 -5.074 -3.826 1.00 0.62 C ATOM 1188 O THR A 85 -9.978 -5.572 -2.752 1.00 -0.50 O ATOM 1189 CB THR A 85 -8.936 -3.158 -4.637 1.00 0.17 C ATOM 1190 OG1 THR A 85 -8.798 -3.965 -5.827 1.00 -0.55 O ATOM 1191 CG2 THR A 85 -7.686 -3.334 -3.720 1.00 -0.19 C ATOM 0 H THR A 85 -9.742 -2.650 -2.138 1.00 -0.46 H new ATOM 0 HA THR A 85 -11.073 -3.200 -4.608 1.00 0.04 H new ATOM 0 HB THR A 85 -8.976 -2.092 -4.862 1.00 0.17 H new ATOM 0 HG1 THR A 85 -7.963 -3.733 -6.284 1.00 -0.55 H new ATOM 0 HG21 THR A 85 -6.791 -3.026 -4.261 1.00 -0.19 H new ATOM 0 HG22 THR A 85 -7.800 -2.718 -2.828 1.00 -0.19 H new ATOM 0 HG23 THR A 85 -7.592 -4.380 -3.429 1.00 -0.19 H new ATOM 1199 N ASP A 86 -10.590 -5.810 -4.920 1.00 -0.46 N ATOM 1200 CA ASP A 86 -10.503 -7.267 -4.903 1.00 0.04 C ATOM 1201 C ASP A 86 -9.147 -7.646 -5.458 1.00 0.62 C ATOM 1202 O ASP A 86 -8.781 -7.134 -6.505 1.00 -0.50 O ATOM 1203 CB ASP A 86 -11.631 -7.898 -5.763 1.00 -0.40 C ATOM 1204 CG ASP A 86 -11.572 -9.404 -5.820 1.00 0.71 C ATOM 1205 OD1 ASP A 86 -10.625 -10.016 -5.251 1.00 -0.72 O ATOM 1206 OD2 ASP A 86 -12.484 -9.999 -6.453 1.00 -0.72 O ATOM 0 H ASP A 86 -10.899 -5.414 -5.808 1.00 -0.46 H new ATOM 0 HA ASP A 86 -10.623 -7.639 -3.886 1.00 0.04 H new ATOM 0 HB2 ASP A 86 -12.597 -7.595 -5.360 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 -11.570 -7.501 -6.776 1.00 -0.40 H new ATOM 1211 N CYS A 87 -8.381 -8.531 -4.783 1.00 -0.46 N ATOM 1212 CA CYS A 87 -7.120 -9.014 -5.337 1.00 0.04 C ATOM 1213 C CYS A 87 -7.033 -10.508 -5.133 1.00 0.62 C ATOM 1214 O CYS A 87 -6.023 -10.995 -4.653 1.00 -0.50 O ATOM 1215 CB CYS A 87 -5.967 -8.273 -4.629 1.00 -0.10 C ATOM 1216 SG CYS A 87 -5.968 -6.519 -5.096 1.00 0.82 S ATOM 0 H CYS A 87 -8.618 -8.914 -3.868 1.00 -0.46 H new ATOM 0 HA CYS A 87 -7.055 -8.818 -6.407 1.00 0.04 H new ATOM 0 HB2 CYS A 87 -6.073 -8.369 -3.548 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 -5.014 -8.728 -4.898 1.00 -0.10 H new