USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 472 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 16 TYR OH : rot 47:sc= 0.878 USER MOD Set 1.2: A 23 GLN : amide:sc= 1.52 K(o=2.4,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.143 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc=-0.00203 X(o=-0.002,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00352 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.247 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 36:sc= 0.154 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 1.08 K(o=1.1,f=-0.13) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HE2:sc= -0.272 K(o=-0.27,f=-4.3!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.072 16.190 -14.028 1.00 0.00 N ATOM 2 CA GLY A 1 -9.944 14.892 -14.668 1.00 0.00 C ATOM 3 C GLY A 1 -9.905 13.770 -13.629 1.00 0.00 C ATOM 4 O GLY A 1 -8.846 13.455 -13.089 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.096 16.934 -14.754 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.951 16.218 -13.474 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.260 16.348 -13.398 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.781 14.734 -15.348 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.035 14.867 -15.270 1.00 0.00 H new ATOM 8 N SER A 2 -11.073 13.196 -13.381 1.00 0.00 N ATOM 9 CA SER A 2 -11.186 12.115 -12.417 1.00 0.00 C ATOM 10 C SER A 2 -11.826 10.891 -13.075 1.00 0.00 C ATOM 11 O SER A 2 -13.028 10.669 -12.944 1.00 0.00 O ATOM 12 CB SER A 2 -12.001 12.548 -11.197 1.00 0.00 C ATOM 13 OG SER A 2 -11.297 12.327 -9.978 1.00 0.00 O ATOM 0 H SER A 2 -11.950 13.459 -13.831 1.00 0.00 H new ATOM 0 HA SER A 2 -10.184 11.854 -12.077 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.251 13.605 -11.285 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.942 11.999 -11.177 1.00 0.00 H new ATOM 0 HG SER A 2 -11.850 12.618 -9.223 1.00 0.00 H new ATOM 19 N SER A 3 -10.993 10.129 -13.769 1.00 0.00 N ATOM 20 CA SER A 3 -11.462 8.933 -14.448 1.00 0.00 C ATOM 21 C SER A 3 -12.195 8.024 -13.460 1.00 0.00 C ATOM 22 O SER A 3 -13.369 7.711 -13.652 1.00 0.00 O ATOM 23 CB SER A 3 -10.302 8.180 -15.102 1.00 0.00 C ATOM 24 OG SER A 3 -10.708 7.497 -16.285 1.00 0.00 O ATOM 0 H SER A 3 -9.996 10.317 -13.876 1.00 0.00 H new ATOM 0 HA SER A 3 -12.153 9.235 -15.235 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.505 8.883 -15.345 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.890 7.462 -14.393 1.00 0.00 H new ATOM 0 HG SER A 3 -9.939 7.030 -16.673 1.00 0.00 H new ATOM 30 N GLY A 4 -11.472 7.625 -12.423 1.00 0.00 N ATOM 31 CA GLY A 4 -12.039 6.758 -11.405 1.00 0.00 C ATOM 32 C GLY A 4 -11.077 6.594 -10.226 1.00 0.00 C ATOM 33 O GLY A 4 -10.675 5.479 -9.899 1.00 0.00 O ATOM 0 H GLY A 4 -10.499 7.887 -12.267 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.983 7.173 -11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.261 5.782 -11.836 1.00 0.00 H new ATOM 37 N SER A 5 -10.736 7.722 -9.621 1.00 0.00 N ATOM 38 CA SER A 5 -9.829 7.718 -8.486 1.00 0.00 C ATOM 39 C SER A 5 -8.554 6.948 -8.838 1.00 0.00 C ATOM 40 O SER A 5 -8.537 5.719 -8.801 1.00 0.00 O ATOM 41 CB SER A 5 -10.494 7.107 -7.251 1.00 0.00 C ATOM 42 OG SER A 5 -11.130 8.094 -6.444 1.00 0.00 O ATOM 0 H SER A 5 -11.072 8.645 -9.895 1.00 0.00 H new ATOM 0 HA SER A 5 -9.570 8.751 -8.252 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.229 6.366 -7.564 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.745 6.582 -6.658 1.00 0.00 H new ATOM 0 HG SER A 5 -11.544 7.664 -5.667 1.00 0.00 H new ATOM 48 N SER A 6 -7.518 7.704 -9.172 1.00 0.00 N ATOM 49 CA SER A 6 -6.242 7.108 -9.530 1.00 0.00 C ATOM 50 C SER A 6 -5.883 6.002 -8.535 1.00 0.00 C ATOM 51 O SER A 6 -5.748 4.840 -8.916 1.00 0.00 O ATOM 52 CB SER A 6 -5.135 8.162 -9.573 1.00 0.00 C ATOM 53 OG SER A 6 -5.325 9.094 -10.635 1.00 0.00 O ATOM 0 H SER A 6 -7.536 8.723 -9.202 1.00 0.00 H new ATOM 0 HA SER A 6 -6.334 6.676 -10.526 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.106 8.696 -8.623 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.170 7.669 -9.691 1.00 0.00 H new ATOM 0 HG SER A 6 -4.598 9.751 -10.627 1.00 0.00 H new ATOM 59 N GLY A 7 -5.739 6.403 -7.281 1.00 0.00 N ATOM 60 CA GLY A 7 -5.399 5.460 -6.228 1.00 0.00 C ATOM 61 C GLY A 7 -4.541 6.127 -5.151 1.00 0.00 C ATOM 62 O GLY A 7 -4.438 7.352 -5.105 1.00 0.00 O ATOM 0 H GLY A 7 -5.851 7.368 -6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.311 5.066 -5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.861 4.613 -6.653 1.00 0.00 H new ATOM 66 N GLU A 8 -3.949 5.292 -4.311 1.00 0.00 N ATOM 67 CA GLU A 8 -3.103 5.785 -3.237 1.00 0.00 C ATOM 68 C GLU A 8 -1.714 5.149 -3.320 1.00 0.00 C ATOM 69 O GLU A 8 -1.575 3.934 -3.192 1.00 0.00 O ATOM 70 CB GLU A 8 -3.744 5.526 -1.872 1.00 0.00 C ATOM 71 CG GLU A 8 -4.832 6.559 -1.572 1.00 0.00 C ATOM 72 CD GLU A 8 -5.943 5.952 -0.713 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.620 5.531 0.418 1.00 0.00 O ATOM 74 OE2 GLU A 8 -7.091 5.922 -1.208 1.00 0.00 O ATOM 0 H GLU A 8 -4.038 4.277 -4.352 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.994 6.863 -3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.173 4.524 -1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.980 5.561 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.395 7.414 -1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.252 6.932 -2.506 1.00 0.00 H new ATOM 81 N GLU A 9 -0.721 6.000 -3.533 1.00 0.00 N ATOM 82 CA GLU A 9 0.653 5.536 -3.635 1.00 0.00 C ATOM 83 C GLU A 9 1.242 5.312 -2.241 1.00 0.00 C ATOM 84 O GLU A 9 1.402 6.258 -1.471 1.00 0.00 O ATOM 85 CB GLU A 9 1.505 6.520 -4.439 1.00 0.00 C ATOM 86 CG GLU A 9 1.765 5.992 -5.851 1.00 0.00 C ATOM 87 CD GLU A 9 3.191 6.314 -6.303 1.00 0.00 C ATOM 88 OE1 GLU A 9 4.069 6.371 -5.414 1.00 0.00 O ATOM 89 OE2 GLU A 9 3.372 6.496 -7.526 1.00 0.00 O ATOM 0 H GLU A 9 -0.840 7.008 -3.638 1.00 0.00 H new ATOM 0 HA GLU A 9 0.657 4.584 -4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.999 7.484 -4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.454 6.687 -3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.607 4.914 -5.875 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.051 6.434 -6.546 1.00 0.00 H new ATOM 96 N PHE A 10 1.548 4.054 -1.957 1.00 0.00 N ATOM 97 CA PHE A 10 2.116 3.694 -0.669 1.00 0.00 C ATOM 98 C PHE A 10 3.502 3.070 -0.837 1.00 0.00 C ATOM 99 O PHE A 10 3.842 2.584 -1.914 1.00 0.00 O ATOM 100 CB PHE A 10 1.177 2.663 -0.040 1.00 0.00 C ATOM 101 CG PHE A 10 0.138 3.264 0.909 1.00 0.00 C ATOM 102 CD1 PHE A 10 -0.987 3.840 0.407 1.00 0.00 C ATOM 103 CD2 PHE A 10 0.339 3.221 2.253 1.00 0.00 C ATOM 104 CE1 PHE A 10 -1.952 4.398 1.287 1.00 0.00 C ATOM 105 CE2 PHE A 10 -0.625 3.779 3.133 1.00 0.00 C ATOM 106 CZ PHE A 10 -1.750 4.356 2.632 1.00 0.00 C ATOM 0 H PHE A 10 1.413 3.271 -2.597 1.00 0.00 H new ATOM 0 HA PHE A 10 2.221 4.582 -0.046 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.660 2.125 -0.835 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.772 1.931 0.506 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.147 3.873 -0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.232 2.762 2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.846 4.855 0.889 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.465 3.745 4.201 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.483 4.781 3.302 1.00 0.00 H new ATOM 116 N VAL A 11 4.266 3.103 0.245 1.00 0.00 N ATOM 117 CA VAL A 11 5.608 2.547 0.232 1.00 0.00 C ATOM 118 C VAL A 11 5.680 1.377 1.215 1.00 0.00 C ATOM 119 O VAL A 11 5.208 1.481 2.346 1.00 0.00 O ATOM 120 CB VAL A 11 6.632 3.643 0.532 1.00 0.00 C ATOM 121 CG1 VAL A 11 7.865 3.066 1.230 1.00 0.00 C ATOM 122 CG2 VAL A 11 7.024 4.391 -0.744 1.00 0.00 C ATOM 0 H VAL A 11 3.981 3.507 1.137 1.00 0.00 H new ATOM 0 HA VAL A 11 5.850 2.157 -0.757 1.00 0.00 H new ATOM 0 HB VAL A 11 6.168 4.358 1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.577 3.866 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.567 2.600 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.331 2.319 0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.753 5.165 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.460 3.691 -1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.139 4.851 -1.183 1.00 0.00 H new ATOM 132 N ALA A 12 6.275 0.289 0.748 1.00 0.00 N ATOM 133 CA ALA A 12 6.415 -0.900 1.571 1.00 0.00 C ATOM 134 C ALA A 12 7.445 -0.635 2.671 1.00 0.00 C ATOM 135 O ALA A 12 8.613 -0.379 2.384 1.00 0.00 O ATOM 136 CB ALA A 12 6.797 -2.090 0.689 1.00 0.00 C ATOM 0 H ALA A 12 6.666 0.206 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 12 5.470 -1.144 2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.902 -2.982 1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.019 -2.255 -0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.742 -1.883 0.188 1.00 0.00 H new ATOM 142 N ILE A 13 6.974 -0.705 3.908 1.00 0.00 N ATOM 143 CA ILE A 13 7.839 -0.475 5.052 1.00 0.00 C ATOM 144 C ILE A 13 8.955 -1.523 5.061 1.00 0.00 C ATOM 145 O ILE A 13 9.962 -1.356 5.746 1.00 0.00 O ATOM 146 CB ILE A 13 7.021 -0.438 6.344 1.00 0.00 C ATOM 147 CG1 ILE A 13 6.154 -1.692 6.481 1.00 0.00 C ATOM 148 CG2 ILE A 13 6.191 0.844 6.431 1.00 0.00 C ATOM 149 CD1 ILE A 13 6.090 -2.158 7.936 1.00 0.00 C ATOM 0 H ILE A 13 6.004 -0.918 4.142 1.00 0.00 H new ATOM 0 HA ILE A 13 8.318 0.501 4.977 1.00 0.00 H new ATOM 0 HB ILE A 13 7.713 -0.432 7.186 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.148 -1.484 6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.560 -2.489 5.858 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.619 0.845 7.359 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.854 1.709 6.413 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.507 0.893 5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.468 -3.050 8.005 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.095 -2.388 8.289 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.661 -1.368 8.553 1.00 0.00 H new ATOM 161 N ALA A 14 8.737 -2.579 4.291 1.00 0.00 N ATOM 162 CA ALA A 14 9.711 -3.653 4.201 1.00 0.00 C ATOM 163 C ALA A 14 9.346 -4.571 3.032 1.00 0.00 C ATOM 164 O ALA A 14 8.197 -4.596 2.594 1.00 0.00 O ATOM 165 CB ALA A 14 9.770 -4.402 5.534 1.00 0.00 C ATOM 0 H ALA A 14 7.900 -2.714 3.724 1.00 0.00 H new ATOM 0 HA ALA A 14 10.706 -3.253 4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.501 -5.208 5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.062 -3.713 6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.789 -4.820 5.760 1.00 0.00 H new ATOM 171 N ASP A 15 10.345 -5.301 2.561 1.00 0.00 N ATOM 172 CA ASP A 15 10.144 -6.218 1.452 1.00 0.00 C ATOM 173 C ASP A 15 9.155 -7.308 1.870 1.00 0.00 C ATOM 174 O ASP A 15 9.202 -7.794 2.999 1.00 0.00 O ATOM 175 CB ASP A 15 11.456 -6.897 1.053 1.00 0.00 C ATOM 176 CG ASP A 15 11.983 -7.924 2.057 1.00 0.00 C ATOM 177 OD1 ASP A 15 12.278 -7.504 3.196 1.00 0.00 O ATOM 178 OD2 ASP A 15 12.079 -9.106 1.661 1.00 0.00 O ATOM 0 H ASP A 15 11.297 -5.276 2.927 1.00 0.00 H new ATOM 0 HA ASP A 15 9.763 -5.646 0.606 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.315 -7.390 0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.216 -6.129 0.909 1.00 0.00 H new ATOM 183 N TYR A 16 8.283 -7.661 0.936 1.00 0.00 N ATOM 184 CA TYR A 16 7.285 -8.685 1.194 1.00 0.00 C ATOM 185 C TYR A 16 7.264 -9.725 0.072 1.00 0.00 C ATOM 186 O TYR A 16 7.561 -9.408 -1.079 1.00 0.00 O ATOM 187 CB TYR A 16 5.937 -7.961 1.227 1.00 0.00 C ATOM 188 CG TYR A 16 4.728 -8.898 1.256 1.00 0.00 C ATOM 189 CD1 TYR A 16 4.223 -9.409 0.078 1.00 0.00 C ATOM 190 CD2 TYR A 16 4.143 -9.232 2.460 1.00 0.00 C ATOM 191 CE1 TYR A 16 3.084 -10.291 0.105 1.00 0.00 C ATOM 192 CE2 TYR A 16 3.005 -10.113 2.488 1.00 0.00 C ATOM 193 CZ TYR A 16 2.532 -10.600 1.309 1.00 0.00 C ATOM 194 OH TYR A 16 1.457 -11.432 1.335 1.00 0.00 O ATOM 0 H TYR A 16 8.247 -7.256 0.000 1.00 0.00 H new ATOM 0 HA TYR A 16 7.503 -9.207 2.126 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.904 -7.315 2.105 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.862 -7.315 0.353 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.682 -9.148 -0.864 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.539 -8.832 3.382 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.678 -10.697 -0.810 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.537 -10.381 3.424 1.00 0.00 H new ATOM 0 HH TYR A 16 1.632 -12.210 0.766 1.00 0.00 H new ATOM 204 N ALA A 17 6.911 -10.946 0.447 1.00 0.00 N ATOM 205 CA ALA A 17 6.848 -12.034 -0.514 1.00 0.00 C ATOM 206 C ALA A 17 5.478 -12.710 -0.422 1.00 0.00 C ATOM 207 O ALA A 17 5.129 -13.276 0.613 1.00 0.00 O ATOM 208 CB ALA A 17 7.998 -13.010 -0.256 1.00 0.00 C ATOM 0 H ALA A 17 6.666 -11.206 1.402 1.00 0.00 H new ATOM 0 HA ALA A 17 6.962 -11.656 -1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.951 -13.826 -0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.949 -12.488 -0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.914 -13.412 0.754 1.00 0.00 H new ATOM 214 N ALA A 18 4.739 -12.630 -1.519 1.00 0.00 N ATOM 215 CA ALA A 18 3.416 -13.227 -1.576 1.00 0.00 C ATOM 216 C ALA A 18 3.508 -14.700 -1.172 1.00 0.00 C ATOM 217 O ALA A 18 4.272 -15.462 -1.762 1.00 0.00 O ATOM 218 CB ALA A 18 2.832 -13.042 -2.978 1.00 0.00 C ATOM 0 H ALA A 18 5.032 -12.160 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 18 2.742 -12.734 -0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.839 -13.490 -3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.760 -11.978 -3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.480 -13.526 -3.709 1.00 0.00 H new ATOM 224 N THR A 19 2.718 -15.056 -0.170 1.00 0.00 N ATOM 225 CA THR A 19 2.701 -16.424 0.319 1.00 0.00 C ATOM 226 C THR A 19 1.784 -17.289 -0.549 1.00 0.00 C ATOM 227 O THR A 19 1.968 -18.502 -0.635 1.00 0.00 O ATOM 228 CB THR A 19 2.292 -16.394 1.793 1.00 0.00 C ATOM 229 OG1 THR A 19 3.521 -16.553 2.497 1.00 0.00 O ATOM 230 CG2 THR A 19 1.469 -17.619 2.197 1.00 0.00 C ATOM 0 H THR A 19 2.085 -14.421 0.317 1.00 0.00 H new ATOM 0 HA THR A 19 3.688 -16.881 0.250 1.00 0.00 H new ATOM 0 HB THR A 19 1.718 -15.489 1.992 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.349 -16.543 3.462 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.205 -17.548 3.252 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.560 -17.660 1.597 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.055 -18.523 2.030 1.00 0.00 H new ATOM 238 N ASP A 20 0.816 -16.631 -1.169 1.00 0.00 N ATOM 239 CA ASP A 20 -0.130 -17.325 -2.027 1.00 0.00 C ATOM 240 C ASP A 20 -0.077 -16.720 -3.431 1.00 0.00 C ATOM 241 O ASP A 20 0.696 -15.798 -3.685 1.00 0.00 O ATOM 242 CB ASP A 20 -1.560 -17.177 -1.503 1.00 0.00 C ATOM 243 CG ASP A 20 -2.405 -18.451 -1.563 1.00 0.00 C ATOM 244 OD1 ASP A 20 -1.873 -19.505 -1.155 1.00 0.00 O ATOM 245 OD2 ASP A 20 -3.565 -18.341 -2.016 1.00 0.00 O ATOM 0 H ASP A 20 0.666 -15.625 -1.095 1.00 0.00 H new ATOM 0 HA ASP A 20 0.141 -18.381 -2.043 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.519 -16.835 -0.469 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.062 -16.398 -2.077 1.00 0.00 H new ATOM 250 N GLU A 21 -0.908 -17.265 -4.307 1.00 0.00 N ATOM 251 CA GLU A 21 -0.966 -16.791 -5.680 1.00 0.00 C ATOM 252 C GLU A 21 -2.014 -15.684 -5.816 1.00 0.00 C ATOM 253 O GLU A 21 -2.442 -15.363 -6.923 1.00 0.00 O ATOM 254 CB GLU A 21 -1.255 -17.941 -6.646 1.00 0.00 C ATOM 255 CG GLU A 21 -2.658 -18.508 -6.419 1.00 0.00 C ATOM 256 CD GLU A 21 -3.017 -19.530 -7.500 1.00 0.00 C ATOM 257 OE1 GLU A 21 -2.203 -20.459 -7.696 1.00 0.00 O ATOM 258 OE2 GLU A 21 -4.097 -19.360 -8.105 1.00 0.00 O ATOM 0 H GLU A 21 -1.547 -18.031 -4.093 1.00 0.00 H new ATOM 0 HA GLU A 21 0.008 -16.377 -5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.163 -17.589 -7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.514 -18.729 -6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.710 -18.978 -5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.387 -17.698 -6.423 1.00 0.00 H new ATOM 265 N THR A 22 -2.397 -15.132 -4.674 1.00 0.00 N ATOM 266 CA THR A 22 -3.387 -14.069 -4.651 1.00 0.00 C ATOM 267 C THR A 22 -2.843 -12.850 -3.904 1.00 0.00 C ATOM 268 O THR A 22 -3.607 -12.085 -3.317 1.00 0.00 O ATOM 269 CB THR A 22 -4.672 -14.632 -4.041 1.00 0.00 C ATOM 270 OG1 THR A 22 -4.284 -15.042 -2.733 1.00 0.00 O ATOM 271 CG2 THR A 22 -5.124 -15.927 -4.719 1.00 0.00 C ATOM 0 H THR A 22 -2.039 -15.401 -3.758 1.00 0.00 H new ATOM 0 HA THR A 22 -3.615 -13.719 -5.658 1.00 0.00 H new ATOM 0 HB THR A 22 -5.465 -13.888 -4.115 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.058 -15.418 -2.265 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.040 -16.284 -4.248 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.309 -15.739 -5.776 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.345 -16.683 -4.616 1.00 0.00 H new ATOM 279 N GLN A 23 -1.526 -12.706 -3.950 1.00 0.00 N ATOM 280 CA GLN A 23 -0.871 -11.593 -3.285 1.00 0.00 C ATOM 281 C GLN A 23 0.188 -10.976 -4.201 1.00 0.00 C ATOM 282 O GLN A 23 0.591 -11.587 -5.190 1.00 0.00 O ATOM 283 CB GLN A 23 -0.256 -12.034 -1.955 1.00 0.00 C ATOM 284 CG GLN A 23 -1.320 -12.627 -1.029 1.00 0.00 C ATOM 285 CD GLN A 23 -0.676 -13.437 0.098 1.00 0.00 C ATOM 286 OE1 GLN A 23 0.533 -13.574 0.186 1.00 0.00 O ATOM 287 NE2 GLN A 23 -1.549 -13.965 0.951 1.00 0.00 N ATOM 0 H GLN A 23 -0.895 -13.342 -4.438 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.621 -10.833 -3.066 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.524 -12.773 -2.138 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.219 -11.182 -1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.926 -11.826 -0.606 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.992 -13.266 -1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.549 -13.811 0.819 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.219 -14.524 1.738 1.00 0.00 H new ATOM 296 N LEU A 24 0.609 -9.773 -3.840 1.00 0.00 N ATOM 297 CA LEU A 24 1.613 -9.067 -4.617 1.00 0.00 C ATOM 298 C LEU A 24 2.915 -8.997 -3.816 1.00 0.00 C ATOM 299 O LEU A 24 2.894 -8.767 -2.608 1.00 0.00 O ATOM 300 CB LEU A 24 1.087 -7.698 -5.055 1.00 0.00 C ATOM 301 CG LEU A 24 0.150 -7.696 -6.264 1.00 0.00 C ATOM 302 CD1 LEU A 24 -0.185 -6.267 -6.695 1.00 0.00 C ATOM 303 CD2 LEU A 24 0.734 -8.519 -7.413 1.00 0.00 C ATOM 0 H LEU A 24 0.273 -9.269 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 24 1.832 -9.608 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.563 -7.246 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.940 -7.058 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.786 -8.172 -5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.852 -6.294 -7.556 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.674 -5.744 -5.873 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.733 -5.743 -6.963 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.047 -8.501 -8.259 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.692 -8.095 -7.714 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.879 -9.549 -7.086 1.00 0.00 H new ATOM 315 N SER A 25 4.018 -9.201 -4.522 1.00 0.00 N ATOM 316 CA SER A 25 5.327 -9.165 -3.892 1.00 0.00 C ATOM 317 C SER A 25 6.082 -7.907 -4.326 1.00 0.00 C ATOM 318 O SER A 25 6.191 -7.624 -5.519 1.00 0.00 O ATOM 319 CB SER A 25 6.138 -10.415 -4.236 1.00 0.00 C ATOM 320 OG SER A 25 5.304 -11.548 -4.463 1.00 0.00 O ATOM 0 H SER A 25 4.032 -9.392 -5.524 1.00 0.00 H new ATOM 0 HA SER A 25 5.186 -9.142 -2.811 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.739 -10.224 -5.125 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.831 -10.632 -3.423 1.00 0.00 H new ATOM 0 HG SER A 25 5.860 -12.325 -4.681 1.00 0.00 H new ATOM 326 N PHE A 26 6.583 -7.184 -3.335 1.00 0.00 N ATOM 327 CA PHE A 26 7.324 -5.963 -3.599 1.00 0.00 C ATOM 328 C PHE A 26 8.563 -5.869 -2.706 1.00 0.00 C ATOM 329 O PHE A 26 8.817 -6.759 -1.896 1.00 0.00 O ATOM 330 CB PHE A 26 6.389 -4.794 -3.280 1.00 0.00 C ATOM 331 CG PHE A 26 5.445 -5.056 -2.105 1.00 0.00 C ATOM 332 CD1 PHE A 26 5.874 -4.855 -0.830 1.00 0.00 C ATOM 333 CD2 PHE A 26 4.177 -5.490 -2.335 1.00 0.00 C ATOM 334 CE1 PHE A 26 4.997 -5.098 0.260 1.00 0.00 C ATOM 335 CE2 PHE A 26 3.300 -5.733 -1.245 1.00 0.00 C ATOM 336 CZ PHE A 26 3.729 -5.532 0.030 1.00 0.00 C ATOM 0 H PHE A 26 6.490 -7.421 -2.347 1.00 0.00 H new ATOM 0 HA PHE A 26 7.656 -5.947 -4.637 1.00 0.00 H new ATOM 0 HB2 PHE A 26 6.989 -3.911 -3.061 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.796 -4.564 -4.165 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.881 -4.511 -0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.837 -5.650 -3.347 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.337 -4.938 1.272 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.293 -6.077 -1.428 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.063 -5.717 0.860 1.00 0.00 H new ATOM 346 N LEU A 27 9.300 -4.782 -2.884 1.00 0.00 N ATOM 347 CA LEU A 27 10.506 -4.561 -2.104 1.00 0.00 C ATOM 348 C LEU A 27 10.372 -3.249 -1.328 1.00 0.00 C ATOM 349 O LEU A 27 9.809 -2.279 -1.834 1.00 0.00 O ATOM 350 CB LEU A 27 11.743 -4.620 -3.002 1.00 0.00 C ATOM 351 CG LEU A 27 12.761 -3.493 -2.816 1.00 0.00 C ATOM 352 CD1 LEU A 27 13.565 -3.687 -1.529 1.00 0.00 C ATOM 353 CD2 LEU A 27 13.667 -3.365 -4.043 1.00 0.00 C ATOM 0 H LEU A 27 9.085 -4.046 -3.556 1.00 0.00 H new ATOM 0 HA LEU A 27 10.636 -5.356 -1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.248 -5.571 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.414 -4.618 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 27 12.216 -2.554 -2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.281 -2.872 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.888 -3.691 -0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.099 -4.636 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.381 -2.557 -3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.205 -4.300 -4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.060 -3.147 -4.922 1.00 0.00 H new ATOM 365 N ARG A 28 10.898 -3.261 -0.112 1.00 0.00 N ATOM 366 CA ARG A 28 10.845 -2.085 0.739 1.00 0.00 C ATOM 367 C ARG A 28 11.074 -0.819 -0.090 1.00 0.00 C ATOM 368 O ARG A 28 12.130 -0.655 -0.699 1.00 0.00 O ATOM 369 CB ARG A 28 11.897 -2.158 1.847 1.00 0.00 C ATOM 370 CG ARG A 28 11.734 -1.001 2.835 1.00 0.00 C ATOM 371 CD ARG A 28 13.095 -0.510 3.333 1.00 0.00 C ATOM 372 NE ARG A 28 13.495 0.708 2.595 1.00 0.00 N ATOM 373 CZ ARG A 28 14.703 1.281 2.688 1.00 0.00 C ATOM 374 NH1 ARG A 28 15.636 0.749 3.490 1.00 0.00 N ATOM 375 NH2 ARG A 28 14.978 2.385 1.981 1.00 0.00 N ATOM 0 H ARG A 28 11.363 -4.068 0.304 1.00 0.00 H new ATOM 0 HA ARG A 28 9.856 -2.051 1.195 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.809 -3.107 2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.895 -2.129 1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.201 -0.180 2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.128 -1.323 3.681 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.046 -0.298 4.401 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.844 -1.290 3.197 1.00 0.00 H new ATOM 0 HE ARG A 28 12.808 1.139 1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.426 -0.091 4.029 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.556 1.184 3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.268 2.790 1.371 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.898 2.820 2.052 1.00 0.00 H new ATOM 389 N GLY A 29 10.067 0.042 -0.087 1.00 0.00 N ATOM 390 CA GLY A 29 10.146 1.288 -0.831 1.00 0.00 C ATOM 391 C GLY A 29 9.233 1.252 -2.059 1.00 0.00 C ATOM 392 O GLY A 29 8.655 2.269 -2.437 1.00 0.00 O ATOM 0 H GLY A 29 9.192 -0.098 0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.862 2.119 -0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.175 1.465 -1.144 1.00 0.00 H new ATOM 396 N GLU A 30 9.133 0.069 -2.647 1.00 0.00 N ATOM 397 CA GLU A 30 8.300 -0.114 -3.824 1.00 0.00 C ATOM 398 C GLU A 30 7.009 0.696 -3.691 1.00 0.00 C ATOM 399 O GLU A 30 6.367 0.680 -2.642 1.00 0.00 O ATOM 400 CB GLU A 30 7.997 -1.595 -4.057 1.00 0.00 C ATOM 401 CG GLU A 30 9.006 -2.215 -5.026 1.00 0.00 C ATOM 402 CD GLU A 30 8.382 -3.383 -5.793 1.00 0.00 C ATOM 403 OE1 GLU A 30 7.179 -3.274 -6.113 1.00 0.00 O ATOM 404 OE2 GLU A 30 9.124 -4.358 -6.043 1.00 0.00 O ATOM 0 H GLU A 30 9.615 -0.772 -2.331 1.00 0.00 H new ATOM 0 HA GLU A 30 8.847 0.251 -4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.024 -2.129 -3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.989 -1.705 -4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.353 -1.458 -5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.879 -2.563 -4.474 1.00 0.00 H new ATOM 411 N LYS A 31 6.667 1.385 -4.770 1.00 0.00 N ATOM 412 CA LYS A 31 5.464 2.200 -4.788 1.00 0.00 C ATOM 413 C LYS A 31 4.249 1.302 -5.030 1.00 0.00 C ATOM 414 O LYS A 31 3.995 0.886 -6.159 1.00 0.00 O ATOM 415 CB LYS A 31 5.600 3.336 -5.802 1.00 0.00 C ATOM 416 CG LYS A 31 6.959 4.027 -5.672 1.00 0.00 C ATOM 417 CD LYS A 31 7.046 4.824 -4.369 1.00 0.00 C ATOM 418 CE LYS A 31 8.502 5.114 -3.998 1.00 0.00 C ATOM 419 NZ LYS A 31 8.720 6.570 -3.852 1.00 0.00 N ATOM 0 H LYS A 31 7.202 1.396 -5.638 1.00 0.00 H new ATOM 0 HA LYS A 31 5.317 2.683 -3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.483 2.943 -6.812 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.802 4.063 -5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.754 3.282 -5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.115 4.693 -6.521 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.501 5.762 -4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.567 4.266 -3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.754 4.608 -3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.165 4.716 -4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.713 6.749 -3.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.499 7.046 -4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.101 6.940 -3.103 1.00 0.00 H new ATOM 433 N ILE A 32 3.530 1.029 -3.951 1.00 0.00 N ATOM 434 CA ILE A 32 2.348 0.188 -4.032 1.00 0.00 C ATOM 435 C ILE A 32 1.110 1.071 -4.205 1.00 0.00 C ATOM 436 O ILE A 32 0.968 2.087 -3.527 1.00 0.00 O ATOM 437 CB ILE A 32 2.272 -0.748 -2.824 1.00 0.00 C ATOM 438 CG1 ILE A 32 3.634 -1.380 -2.534 1.00 0.00 C ATOM 439 CG2 ILE A 32 1.179 -1.801 -3.014 1.00 0.00 C ATOM 440 CD1 ILE A 32 3.906 -2.554 -3.477 1.00 0.00 C ATOM 0 H ILE A 32 3.743 1.376 -3.016 1.00 0.00 H new ATOM 0 HA ILE A 32 2.402 -0.461 -4.906 1.00 0.00 H new ATOM 0 HB ILE A 32 2.000 -0.157 -1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.418 -0.631 -2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.666 -1.724 -1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.146 -2.453 -2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.215 -1.307 -3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.396 -2.394 -3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.881 -2.985 -3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.134 -3.312 -3.346 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.897 -2.202 -4.508 1.00 0.00 H new ATOM 452 N LEU A 33 0.245 0.650 -5.117 1.00 0.00 N ATOM 453 CA LEU A 33 -0.975 1.390 -5.388 1.00 0.00 C ATOM 454 C LEU A 33 -2.153 0.687 -4.710 1.00 0.00 C ATOM 455 O LEU A 33 -2.466 -0.458 -5.031 1.00 0.00 O ATOM 456 CB LEU A 33 -1.160 1.586 -6.894 1.00 0.00 C ATOM 457 CG LEU A 33 -1.530 3.000 -7.346 1.00 0.00 C ATOM 458 CD1 LEU A 33 -2.728 3.532 -6.556 1.00 0.00 C ATOM 459 CD2 LEU A 33 -0.324 3.937 -7.258 1.00 0.00 C ATOM 0 H LEU A 33 0.365 -0.194 -5.677 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.914 2.393 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.236 1.296 -7.394 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.936 0.902 -7.237 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.828 2.957 -8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.970 4.539 -6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.586 2.879 -6.713 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.481 3.558 -5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.614 4.935 -7.585 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.028 3.981 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.475 3.563 -7.899 1.00 0.00 H new ATOM 471 N ILE A 34 -2.775 1.403 -3.784 1.00 0.00 N ATOM 472 CA ILE A 34 -3.912 0.862 -3.058 1.00 0.00 C ATOM 473 C ILE A 34 -5.204 1.249 -3.781 1.00 0.00 C ATOM 474 O ILE A 34 -5.608 2.410 -3.758 1.00 0.00 O ATOM 475 CB ILE A 34 -3.871 1.303 -1.594 1.00 0.00 C ATOM 476 CG1 ILE A 34 -2.502 1.016 -0.973 1.00 0.00 C ATOM 477 CG2 ILE A 34 -5.008 0.662 -0.796 1.00 0.00 C ATOM 478 CD1 ILE A 34 -2.028 -0.396 -1.320 1.00 0.00 C ATOM 0 H ILE A 34 -2.513 2.353 -3.520 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.870 -0.227 -3.040 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.021 2.382 -1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.776 1.746 -1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.559 1.129 0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.956 0.992 0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.965 0.960 -1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.914 -0.423 -0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.053 -0.574 -0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.744 -1.124 -0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.949 -0.497 -2.402 1.00 0.00 H new ATOM 490 N LEU A 35 -5.815 0.253 -4.406 1.00 0.00 N ATOM 491 CA LEU A 35 -7.053 0.474 -5.134 1.00 0.00 C ATOM 492 C LEU A 35 -8.217 0.543 -4.143 1.00 0.00 C ATOM 493 O LEU A 35 -8.818 1.601 -3.959 1.00 0.00 O ATOM 494 CB LEU A 35 -7.232 -0.588 -6.220 1.00 0.00 C ATOM 495 CG LEU A 35 -6.162 -0.616 -7.314 1.00 0.00 C ATOM 496 CD1 LEU A 35 -5.878 0.792 -7.839 1.00 0.00 C ATOM 497 CD2 LEU A 35 -4.892 -1.312 -6.820 1.00 0.00 C ATOM 0 H LEU A 35 -5.476 -0.709 -4.423 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.022 1.430 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.260 -1.567 -5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.202 -0.436 -6.692 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.544 -1.200 -8.151 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.114 0.744 -8.615 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.792 1.216 -8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.525 1.421 -7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.148 -1.319 -7.616 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.496 -0.777 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.127 -2.337 -6.534 1.00 0.00 H new ATOM 509 N ARG A 36 -8.500 -0.597 -3.532 1.00 0.00 N ATOM 510 CA ARG A 36 -9.582 -0.680 -2.565 1.00 0.00 C ATOM 511 C ARG A 36 -9.052 -1.172 -1.217 1.00 0.00 C ATOM 512 O ARG A 36 -7.888 -1.553 -1.105 1.00 0.00 O ATOM 513 CB ARG A 36 -10.683 -1.625 -3.049 1.00 0.00 C ATOM 514 CG ARG A 36 -11.387 -1.060 -4.284 1.00 0.00 C ATOM 515 CD ARG A 36 -11.980 -2.182 -5.139 1.00 0.00 C ATOM 516 NE ARG A 36 -13.057 -1.646 -6.001 1.00 0.00 N ATOM 517 CZ ARG A 36 -14.329 -1.496 -5.608 1.00 0.00 C ATOM 518 NH1 ARG A 36 -14.691 -1.840 -4.365 1.00 0.00 N ATOM 519 NH2 ARG A 36 -15.239 -1.002 -6.459 1.00 0.00 N ATOM 0 H ARG A 36 -7.999 -1.472 -3.687 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.002 0.319 -2.451 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.254 -2.599 -3.284 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.409 -1.781 -2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.178 -0.377 -3.975 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.679 -0.481 -4.877 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.201 -2.632 -5.754 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.375 -2.970 -4.497 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.816 -1.374 -6.954 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.998 -2.216 -3.718 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.659 -1.726 -4.066 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.963 -0.740 -7.405 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.208 -0.888 -6.160 1.00 0.00 H new ATOM 533 N GLN A 37 -9.932 -1.148 -0.227 1.00 0.00 N ATOM 534 CA GLN A 37 -9.567 -1.588 1.109 1.00 0.00 C ATOM 535 C GLN A 37 -10.165 -2.967 1.396 1.00 0.00 C ATOM 536 O GLN A 37 -9.591 -3.752 2.150 1.00 0.00 O ATOM 537 CB GLN A 37 -10.010 -0.569 2.162 1.00 0.00 C ATOM 538 CG GLN A 37 -9.115 0.671 2.135 1.00 0.00 C ATOM 539 CD GLN A 37 -9.625 1.736 3.108 1.00 0.00 C ATOM 540 OE1 GLN A 37 -9.474 1.635 4.315 1.00 0.00 O ATOM 541 NE2 GLN A 37 -10.235 2.760 2.518 1.00 0.00 N ATOM 0 H GLN A 37 -10.897 -0.831 -0.323 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.481 -1.666 1.160 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -11.045 -0.279 1.980 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.976 -1.025 3.151 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.094 0.393 2.397 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.085 1.080 1.125 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.327 2.782 1.502 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.610 3.523 3.081 1.00 0.00 H new ATOM 550 N THR A 38 -11.309 -3.221 0.779 1.00 0.00 N ATOM 551 CA THR A 38 -11.991 -4.492 0.958 1.00 0.00 C ATOM 552 C THR A 38 -12.507 -4.622 2.392 1.00 0.00 C ATOM 553 O THR A 38 -13.715 -4.611 2.624 1.00 0.00 O ATOM 554 CB THR A 38 -11.024 -5.607 0.556 1.00 0.00 C ATOM 555 OG1 THR A 38 -10.462 -5.154 -0.672 1.00 0.00 O ATOM 556 CG2 THR A 38 -11.747 -6.902 0.180 1.00 0.00 C ATOM 0 H THR A 38 -11.782 -2.568 0.154 1.00 0.00 H new ATOM 0 HA THR A 38 -12.873 -4.562 0.321 1.00 0.00 H new ATOM 0 HB THR A 38 -10.334 -5.802 1.377 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.821 -5.818 -1.003 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.015 -7.660 -0.097 1.00 0.00 H new ATOM 0 HG22 THR A 38 -12.329 -7.254 1.031 1.00 0.00 H new ATOM 0 HG23 THR A 38 -12.413 -6.716 -0.663 1.00 0.00 H new ATOM 564 N THR A 39 -11.566 -4.744 3.317 1.00 0.00 N ATOM 565 CA THR A 39 -11.911 -4.876 4.722 1.00 0.00 C ATOM 566 C THR A 39 -11.183 -3.818 5.552 1.00 0.00 C ATOM 567 O THR A 39 -11.789 -2.840 5.989 1.00 0.00 O ATOM 568 CB THR A 39 -11.595 -6.310 5.154 1.00 0.00 C ATOM 569 OG1 THR A 39 -10.245 -6.507 4.739 1.00 0.00 O ATOM 570 CG2 THR A 39 -12.385 -7.349 4.356 1.00 0.00 C ATOM 0 H THR A 39 -10.565 -4.754 3.121 1.00 0.00 H new ATOM 0 HA THR A 39 -12.974 -4.698 4.886 1.00 0.00 H new ATOM 0 HB THR A 39 -11.812 -6.426 6.216 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.957 -7.412 4.981 1.00 0.00 H new ATOM 0 HG21 THR A 39 -12.124 -8.349 4.702 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.453 -7.183 4.499 1.00 0.00 H new ATOM 0 HG23 THR A 39 -12.142 -7.256 3.297 1.00 0.00 H new ATOM 578 N ALA A 40 -9.892 -4.048 5.746 1.00 0.00 N ATOM 579 CA ALA A 40 -9.075 -3.126 6.516 1.00 0.00 C ATOM 580 C ALA A 40 -7.684 -3.730 6.717 1.00 0.00 C ATOM 581 O ALA A 40 -6.687 -3.009 6.735 1.00 0.00 O ATOM 582 CB ALA A 40 -9.771 -2.811 7.842 1.00 0.00 C ATOM 0 H ALA A 40 -9.392 -4.860 5.383 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.952 -2.184 5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.158 -2.119 8.419 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.742 -2.357 7.644 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.910 -3.732 8.408 1.00 0.00 H new ATOM 588 N ASP A 41 -7.661 -5.047 6.862 1.00 0.00 N ATOM 589 CA ASP A 41 -6.408 -5.756 7.061 1.00 0.00 C ATOM 590 C ASP A 41 -5.844 -6.175 5.702 1.00 0.00 C ATOM 591 O ASP A 41 -4.629 -6.196 5.510 1.00 0.00 O ATOM 592 CB ASP A 41 -6.617 -7.020 7.897 1.00 0.00 C ATOM 593 CG ASP A 41 -5.776 -7.098 9.173 1.00 0.00 C ATOM 594 OD1 ASP A 41 -4.588 -7.465 9.047 1.00 0.00 O ATOM 595 OD2 ASP A 41 -6.341 -6.789 10.244 1.00 0.00 O ATOM 0 H ASP A 41 -8.490 -5.641 6.846 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.722 -5.089 7.583 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.670 -7.087 8.169 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.392 -7.888 7.278 1.00 0.00 H new ATOM 600 N TRP A 42 -6.752 -6.500 4.795 1.00 0.00 N ATOM 601 CA TRP A 42 -6.360 -6.918 3.459 1.00 0.00 C ATOM 602 C TRP A 42 -6.801 -5.832 2.476 1.00 0.00 C ATOM 603 O TRP A 42 -7.981 -5.492 2.409 1.00 0.00 O ATOM 604 CB TRP A 42 -6.935 -8.296 3.125 1.00 0.00 C ATOM 605 CG TRP A 42 -6.334 -9.437 3.949 1.00 0.00 C ATOM 606 CD1 TRP A 42 -6.778 -9.941 5.108 1.00 0.00 C ATOM 607 CD2 TRP A 42 -5.153 -10.201 3.625 1.00 0.00 C ATOM 608 NE1 TRP A 42 -5.974 -10.970 5.554 1.00 0.00 N ATOM 609 CE2 TRP A 42 -4.954 -11.133 4.624 1.00 0.00 C ATOM 610 CE3 TRP A 42 -4.282 -10.109 2.525 1.00 0.00 C ATOM 611 CZ2 TRP A 42 -3.890 -12.042 4.622 1.00 0.00 C ATOM 612 CZ3 TRP A 42 -3.223 -11.024 2.539 1.00 0.00 C ATOM 613 CH2 TRP A 42 -3.009 -11.968 3.537 1.00 0.00 C ATOM 0 H TRP A 42 -7.759 -6.483 4.958 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.278 -7.030 3.392 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -8.013 -8.276 3.283 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.771 -8.500 2.067 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.655 -9.586 5.628 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -6.104 -11.511 6.409 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.419 -9.389 1.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.756 -12.762 5.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.523 -10.995 1.717 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -2.167 -12.641 3.475 1.00 0.00 H new ATOM 624 N TRP A 43 -5.828 -5.319 1.737 1.00 0.00 N ATOM 625 CA TRP A 43 -6.101 -4.278 0.760 1.00 0.00 C ATOM 626 C TRP A 43 -5.839 -4.857 -0.632 1.00 0.00 C ATOM 627 O TRP A 43 -5.092 -5.824 -0.776 1.00 0.00 O ATOM 628 CB TRP A 43 -5.276 -3.023 1.050 1.00 0.00 C ATOM 629 CG TRP A 43 -5.597 -2.364 2.393 1.00 0.00 C ATOM 630 CD1 TRP A 43 -6.525 -2.727 3.289 1.00 0.00 C ATOM 631 CD2 TRP A 43 -4.950 -1.205 2.959 1.00 0.00 C ATOM 632 NE1 TRP A 43 -6.523 -1.891 4.387 1.00 0.00 N ATOM 633 CE2 TRP A 43 -5.535 -0.936 4.179 1.00 0.00 C ATOM 634 CE3 TRP A 43 -3.904 -0.411 2.456 1.00 0.00 C ATOM 635 CZ2 TRP A 43 -5.143 0.129 4.999 1.00 0.00 C ATOM 636 CZ3 TRP A 43 -3.524 0.650 3.288 1.00 0.00 C ATOM 637 CH2 TRP A 43 -4.103 0.934 4.519 1.00 0.00 C ATOM 0 H TRP A 43 -4.850 -5.604 1.795 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.142 -3.960 0.816 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.218 -3.283 1.028 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.443 -2.299 0.253 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.191 -3.568 3.167 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.134 -1.961 5.201 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.431 -0.604 1.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.617 0.319 5.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.725 1.292 2.949 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.752 1.772 5.103 1.00 0.00 H new ATOM 648 N TRP A 44 -6.467 -4.240 -1.623 1.00 0.00 N ATOM 649 CA TRP A 44 -6.311 -4.682 -2.998 1.00 0.00 C ATOM 650 C TRP A 44 -5.425 -3.667 -3.723 1.00 0.00 C ATOM 651 O TRP A 44 -5.797 -2.503 -3.866 1.00 0.00 O ATOM 652 CB TRP A 44 -7.672 -4.874 -3.670 1.00 0.00 C ATOM 653 CG TRP A 44 -7.590 -5.181 -5.166 1.00 0.00 C ATOM 654 CD1 TRP A 44 -7.841 -4.357 -6.193 1.00 0.00 C ATOM 655 CD2 TRP A 44 -7.218 -6.440 -5.767 1.00 0.00 C ATOM 656 NE1 TRP A 44 -7.660 -4.990 -7.406 1.00 0.00 N ATOM 657 CE2 TRP A 44 -7.269 -6.296 -7.138 1.00 0.00 C ATOM 658 CE3 TRP A 44 -6.852 -7.659 -5.171 1.00 0.00 C ATOM 659 CZ2 TRP A 44 -6.966 -7.333 -8.029 1.00 0.00 C ATOM 660 CZ3 TRP A 44 -6.552 -8.685 -6.075 1.00 0.00 C ATOM 661 CH2 TRP A 44 -6.598 -8.557 -7.458 1.00 0.00 C ATOM 0 H TRP A 44 -7.085 -3.438 -1.500 1.00 0.00 H new ATOM 0 HA TRP A 44 -5.827 -5.658 -3.037 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.200 -5.687 -3.171 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.267 -3.972 -3.527 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.147 -3.327 -6.085 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -7.789 -4.575 -8.329 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.806 -7.794 -4.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.014 -7.196 -9.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.265 -9.644 -5.669 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.351 -9.398 -8.089 1.00 0.00 H new ATOM 672 N GLY A 45 -4.269 -4.144 -4.161 1.00 0.00 N ATOM 673 CA GLY A 45 -3.327 -3.293 -4.867 1.00 0.00 C ATOM 674 C GLY A 45 -3.171 -3.738 -6.323 1.00 0.00 C ATOM 675 O GLY A 45 -3.849 -4.662 -6.770 1.00 0.00 O ATOM 0 H GLY A 45 -3.963 -5.110 -4.040 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.670 -2.259 -4.834 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.359 -3.324 -4.368 1.00 0.00 H new ATOM 679 N GLU A 46 -2.273 -3.059 -7.022 1.00 0.00 N ATOM 680 CA GLU A 46 -2.019 -3.373 -8.418 1.00 0.00 C ATOM 681 C GLU A 46 -0.554 -3.099 -8.766 1.00 0.00 C ATOM 682 O GLU A 46 -0.080 -1.973 -8.627 1.00 0.00 O ATOM 683 CB GLU A 46 -2.957 -2.587 -9.336 1.00 0.00 C ATOM 684 CG GLU A 46 -2.637 -2.858 -10.808 1.00 0.00 C ATOM 685 CD GLU A 46 -3.357 -1.860 -11.718 1.00 0.00 C ATOM 686 OE1 GLU A 46 -2.877 -0.708 -11.788 1.00 0.00 O ATOM 687 OE2 GLU A 46 -4.370 -2.272 -12.323 1.00 0.00 O ATOM 0 H GLU A 46 -1.713 -2.293 -6.648 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.217 -4.434 -8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.991 -2.863 -9.128 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.864 -1.521 -9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.561 -2.791 -10.968 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.935 -3.874 -11.068 1.00 0.00 H new ATOM 694 N ARG A 47 0.121 -4.149 -9.211 1.00 0.00 N ATOM 695 CA ARG A 47 1.522 -4.035 -9.579 1.00 0.00 C ATOM 696 C ARG A 47 1.658 -3.808 -11.086 1.00 0.00 C ATOM 697 O ARG A 47 0.658 -3.658 -11.788 1.00 0.00 O ATOM 698 CB ARG A 47 2.298 -5.295 -9.189 1.00 0.00 C ATOM 699 CG ARG A 47 2.699 -5.256 -7.713 1.00 0.00 C ATOM 700 CD ARG A 47 4.220 -5.178 -7.560 1.00 0.00 C ATOM 701 NE ARG A 47 4.593 -3.948 -6.826 1.00 0.00 N ATOM 702 CZ ARG A 47 4.820 -2.764 -7.411 1.00 0.00 C ATOM 703 NH1 ARG A 47 4.713 -2.643 -8.741 1.00 0.00 N ATOM 704 NH2 ARG A 47 5.153 -1.702 -6.666 1.00 0.00 N ATOM 0 H ARG A 47 -0.276 -5.082 -9.325 1.00 0.00 H new ATOM 0 HA ARG A 47 1.938 -3.184 -9.040 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.687 -6.177 -9.380 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.190 -5.384 -9.810 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.237 -4.395 -7.229 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.324 -6.146 -7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.585 -6.055 -7.026 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.693 -5.183 -8.542 1.00 0.00 H new ATOM 0 HE ARG A 47 4.683 -4.005 -5.812 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.459 -3.452 -9.308 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.886 -1.742 -9.187 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.234 -1.795 -5.653 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.326 -0.801 -7.111 1.00 0.00 H new ATOM 718 N ALA A 48 2.902 -3.790 -11.540 1.00 0.00 N ATOM 719 CA ALA A 48 3.182 -3.584 -12.951 1.00 0.00 C ATOM 720 C ALA A 48 2.484 -4.672 -13.769 1.00 0.00 C ATOM 721 O ALA A 48 2.951 -5.809 -13.822 1.00 0.00 O ATOM 722 CB ALA A 48 4.695 -3.566 -13.175 1.00 0.00 C ATOM 0 H ALA A 48 3.728 -3.915 -10.955 1.00 0.00 H new ATOM 0 HA ALA A 48 2.793 -2.621 -13.283 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.904 -3.411 -14.234 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.139 -2.757 -12.595 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.121 -4.517 -12.856 1.00 0.00 H new ATOM 728 N GLY A 49 1.378 -4.286 -14.387 1.00 0.00 N ATOM 729 CA GLY A 49 0.611 -5.215 -15.200 1.00 0.00 C ATOM 730 C GLY A 49 0.081 -6.374 -14.355 1.00 0.00 C ATOM 731 O GLY A 49 -0.453 -7.345 -14.890 1.00 0.00 O ATOM 0 H GLY A 49 0.994 -3.342 -14.341 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.222 -4.691 -15.669 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.237 -5.603 -16.004 1.00 0.00 H new ATOM 735 N CYS A 50 0.246 -6.236 -13.047 1.00 0.00 N ATOM 736 CA CYS A 50 -0.210 -7.260 -12.123 1.00 0.00 C ATOM 737 C CYS A 50 -1.330 -6.668 -11.265 1.00 0.00 C ATOM 738 O CYS A 50 -1.424 -5.451 -11.112 1.00 0.00 O ATOM 739 CB CYS A 50 0.938 -7.802 -11.268 1.00 0.00 C ATOM 740 SG CYS A 50 1.546 -9.381 -11.966 1.00 0.00 S ATOM 0 H CYS A 50 0.689 -5.430 -12.606 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.594 -8.113 -12.682 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.749 -7.075 -11.231 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.599 -7.954 -10.243 1.00 0.00 H new ATOM 0 HG CYS A 50 2.522 -9.832 -11.235 1.00 0.00 H new ATOM 746 N CYS A 51 -2.152 -7.557 -10.726 1.00 0.00 N ATOM 747 CA CYS A 51 -3.262 -7.138 -9.887 1.00 0.00 C ATOM 748 C CYS A 51 -3.505 -8.223 -8.836 1.00 0.00 C ATOM 749 O CYS A 51 -3.959 -9.319 -9.163 1.00 0.00 O ATOM 750 CB CYS A 51 -4.518 -6.851 -10.713 1.00 0.00 C ATOM 751 SG CYS A 51 -4.927 -8.300 -11.753 1.00 0.00 S ATOM 0 H CYS A 51 -2.071 -8.566 -10.854 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.013 -6.201 -9.389 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.353 -6.620 -10.052 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.358 -5.975 -11.342 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.646 -9.392 -11.106 1.00 0.00 H new ATOM 757 N GLY A 52 -3.193 -7.880 -7.595 1.00 0.00 N ATOM 758 CA GLY A 52 -3.373 -8.810 -6.494 1.00 0.00 C ATOM 759 C GLY A 52 -3.698 -8.068 -5.196 1.00 0.00 C ATOM 760 O GLY A 52 -3.832 -6.846 -5.193 1.00 0.00 O ATOM 0 H GLY A 52 -2.817 -6.970 -7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.177 -9.507 -6.730 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.467 -9.402 -6.362 1.00 0.00 H new ATOM 764 N TYR A 53 -3.815 -8.839 -4.124 1.00 0.00 N ATOM 765 CA TYR A 53 -4.123 -8.269 -2.823 1.00 0.00 C ATOM 766 C TYR A 53 -2.842 -7.916 -2.064 1.00 0.00 C ATOM 767 O TYR A 53 -1.744 -8.258 -2.498 1.00 0.00 O ATOM 768 CB TYR A 53 -4.874 -9.357 -2.054 1.00 0.00 C ATOM 769 CG TYR A 53 -6.380 -9.384 -2.324 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.234 -8.634 -1.542 1.00 0.00 C ATOM 771 CD2 TYR A 53 -6.883 -10.158 -3.350 1.00 0.00 C ATOM 772 CE1 TYR A 53 -8.652 -8.658 -1.797 1.00 0.00 C ATOM 773 CE2 TYR A 53 -8.300 -10.183 -3.604 1.00 0.00 C ATOM 774 CZ TYR A 53 -9.115 -9.432 -2.815 1.00 0.00 C ATOM 775 OH TYR A 53 -10.453 -9.455 -3.056 1.00 0.00 O ATOM 0 H TYR A 53 -3.702 -9.853 -4.130 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.707 -7.355 -2.932 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.452 -10.328 -2.313 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.709 -9.212 -0.986 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.840 -8.029 -0.739 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.214 -10.745 -3.962 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.332 -8.075 -1.194 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -8.707 -10.785 -4.403 1.00 0.00 H new ATOM 0 HH TYR A 53 -10.639 -10.049 -3.813 1.00 0.00 H new ATOM 785 N ILE A 54 -3.027 -7.236 -0.942 1.00 0.00 N ATOM 786 CA ILE A 54 -1.901 -6.832 -0.117 1.00 0.00 C ATOM 787 C ILE A 54 -2.377 -6.619 1.321 1.00 0.00 C ATOM 788 O ILE A 54 -3.525 -6.239 1.549 1.00 0.00 O ATOM 789 CB ILE A 54 -1.205 -5.611 -0.722 1.00 0.00 C ATOM 790 CG1 ILE A 54 -2.221 -4.653 -1.346 1.00 0.00 C ATOM 791 CG2 ILE A 54 -0.127 -6.034 -1.722 1.00 0.00 C ATOM 792 CD1 ILE A 54 -1.589 -3.288 -1.625 1.00 0.00 C ATOM 0 H ILE A 54 -3.940 -6.955 -0.585 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.147 -7.619 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.705 -5.070 0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.603 -5.077 -2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.072 -4.533 -0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.352 -5.147 -2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.619 -6.646 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.583 -6.610 -2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.333 -2.626 -2.068 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.230 -2.856 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.753 -3.408 -2.315 1.00 0.00 H new ATOM 804 N PRO A 55 -1.448 -6.880 2.279 1.00 0.00 N ATOM 805 CA PRO A 55 -1.761 -6.720 3.689 1.00 0.00 C ATOM 806 C PRO A 55 -1.798 -5.241 4.078 1.00 0.00 C ATOM 807 O PRO A 55 -1.385 -4.381 3.303 1.00 0.00 O ATOM 808 CB PRO A 55 -0.683 -7.501 4.422 1.00 0.00 C ATOM 809 CG PRO A 55 0.452 -7.679 3.427 1.00 0.00 C ATOM 810 CD PRO A 55 -0.079 -7.332 2.047 1.00 0.00 C ATOM 0 HA PRO A 55 -2.751 -7.097 3.946 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.345 -6.963 5.308 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.061 -8.466 4.760 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.291 -7.034 3.686 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.820 -8.705 3.447 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.521 -6.553 1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.055 -8.197 1.384 1.00 0.00 H new ATOM 818 N ALA A 56 -2.298 -4.991 5.280 1.00 0.00 N ATOM 819 CA ALA A 56 -2.394 -3.631 5.782 1.00 0.00 C ATOM 820 C ALA A 56 -1.434 -3.458 6.961 1.00 0.00 C ATOM 821 O ALA A 56 -1.831 -3.607 8.116 1.00 0.00 O ATOM 822 CB ALA A 56 -3.845 -3.328 6.162 1.00 0.00 C ATOM 0 H ALA A 56 -2.641 -5.707 5.920 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.103 -2.916 5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.917 -2.308 6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.481 -3.436 5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.172 -4.024 6.935 1.00 0.00 H new ATOM 828 N ASN A 57 -0.190 -3.145 6.629 1.00 0.00 N ATOM 829 CA ASN A 57 0.829 -2.950 7.645 1.00 0.00 C ATOM 830 C ASN A 57 2.207 -2.913 6.980 1.00 0.00 C ATOM 831 O ASN A 57 3.086 -2.167 7.407 1.00 0.00 O ATOM 832 CB ASN A 57 0.824 -4.097 8.658 1.00 0.00 C ATOM 833 CG ASN A 57 0.694 -3.567 10.087 1.00 0.00 C ATOM 834 OD1 ASN A 57 1.668 -3.366 10.793 1.00 0.00 O ATOM 835 ND2 ASN A 57 -0.560 -3.351 10.472 1.00 0.00 N ATOM 0 H ASN A 57 0.135 -3.022 5.670 1.00 0.00 H new ATOM 0 HA ASN A 57 0.616 -2.013 8.160 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.002 -4.774 8.441 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.743 -4.675 8.563 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.752 -2.996 11.409 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.330 -3.540 9.831 1.00 0.00 H new ATOM 842 N HIS A 58 2.351 -3.728 5.945 1.00 0.00 N ATOM 843 CA HIS A 58 3.606 -3.798 5.217 1.00 0.00 C ATOM 844 C HIS A 58 3.807 -2.509 4.417 1.00 0.00 C ATOM 845 O HIS A 58 4.918 -2.215 3.976 1.00 0.00 O ATOM 846 CB HIS A 58 3.658 -5.052 4.343 1.00 0.00 C ATOM 847 CG HIS A 58 4.345 -6.228 4.996 1.00 0.00 C ATOM 848 ND1 HIS A 58 3.661 -7.188 5.722 1.00 0.00 N ATOM 849 CD2 HIS A 58 5.660 -6.588 5.024 1.00 0.00 C ATOM 850 CE1 HIS A 58 4.536 -8.080 6.163 1.00 0.00 C ATOM 851 NE2 HIS A 58 5.774 -7.706 5.730 1.00 0.00 N ATOM 0 H HIS A 58 1.619 -4.345 5.594 1.00 0.00 H new ATOM 0 HA HIS A 58 4.435 -3.882 5.920 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.641 -5.340 4.078 1.00 0.00 H new ATOM 0 HB3 HIS A 58 4.174 -4.813 3.413 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.471 -6.054 4.552 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.309 -8.950 6.760 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.644 -8.204 5.918 1.00 0.00 H new ATOM 859 N VAL A 59 2.716 -1.775 4.254 1.00 0.00 N ATOM 860 CA VAL A 59 2.759 -0.525 3.514 1.00 0.00 C ATOM 861 C VAL A 59 2.392 0.628 4.450 1.00 0.00 C ATOM 862 O VAL A 59 1.535 0.478 5.320 1.00 0.00 O ATOM 863 CB VAL A 59 1.851 -0.612 2.286 1.00 0.00 C ATOM 864 CG1 VAL A 59 2.466 -1.511 1.212 1.00 0.00 C ATOM 865 CG2 VAL A 59 0.452 -1.097 2.673 1.00 0.00 C ATOM 0 H VAL A 59 1.797 -2.022 4.622 1.00 0.00 H new ATOM 0 HA VAL A 59 3.766 -0.334 3.143 1.00 0.00 H new ATOM 0 HB VAL A 59 1.755 0.390 1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.800 -1.556 0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.430 -1.105 0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.607 -2.514 1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.174 -1.150 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.522 -2.086 3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.010 -0.401 3.386 1.00 0.00 H new ATOM 875 N GLY A 60 3.058 1.754 4.239 1.00 0.00 N ATOM 876 CA GLY A 60 2.812 2.932 5.053 1.00 0.00 C ATOM 877 C GLY A 60 4.018 3.873 5.034 1.00 0.00 C ATOM 878 O GLY A 60 5.063 3.538 4.478 1.00 0.00 O ATOM 0 H GLY A 60 3.767 1.875 3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.931 3.457 4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.597 2.631 6.078 1.00 0.00 H new ATOM 882 N LYS A 61 3.834 5.033 5.648 1.00 0.00 N ATOM 883 CA LYS A 61 4.894 6.024 5.709 1.00 0.00 C ATOM 884 C LYS A 61 6.208 5.338 6.088 1.00 0.00 C ATOM 885 O LYS A 61 6.252 4.554 7.036 1.00 0.00 O ATOM 886 CB LYS A 61 4.505 7.168 6.648 1.00 0.00 C ATOM 887 CG LYS A 61 3.988 8.373 5.859 1.00 0.00 C ATOM 888 CD LYS A 61 2.461 8.351 5.763 1.00 0.00 C ATOM 889 CE LYS A 61 1.882 9.760 5.915 1.00 0.00 C ATOM 890 NZ LYS A 61 2.149 10.563 4.701 1.00 0.00 N ATOM 0 H LYS A 61 2.966 5.308 6.108 1.00 0.00 H new ATOM 0 HA LYS A 61 5.043 6.481 4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.738 6.828 7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.368 7.463 7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.312 9.295 6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.419 8.369 4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.159 7.931 4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.054 7.701 6.537 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.808 9.701 6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.321 10.248 6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.750 11.516 4.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.176 10.634 4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.709 10.104 3.878 1.00 0.00 H new ATOM 904 N HIS A 62 7.246 5.656 5.329 1.00 0.00 N ATOM 905 CA HIS A 62 8.557 5.080 5.574 1.00 0.00 C ATOM 906 C HIS A 62 9.271 5.875 6.668 1.00 0.00 C ATOM 907 O HIS A 62 10.066 6.767 6.374 1.00 0.00 O ATOM 908 CB HIS A 62 9.364 4.998 4.277 1.00 0.00 C ATOM 909 CG HIS A 62 9.314 6.254 3.441 1.00 0.00 C ATOM 910 ND1 HIS A 62 9.767 7.479 3.901 1.00 0.00 N ATOM 911 CD2 HIS A 62 8.861 6.463 2.172 1.00 0.00 C ATOM 912 CE1 HIS A 62 9.589 8.377 2.943 1.00 0.00 C ATOM 913 NE2 HIS A 62 9.026 7.745 1.872 1.00 0.00 N ATOM 0 H HIS A 62 7.206 6.306 4.544 1.00 0.00 H new ATOM 0 HA HIS A 62 8.448 4.056 5.931 1.00 0.00 H new ATOM 0 HB2 HIS A 62 10.403 4.778 4.521 1.00 0.00 H new ATOM 0 HB3 HIS A 62 8.993 4.163 3.682 1.00 0.00 H new ATOM 0 HD1 HIS A 62 10.169 7.659 4.821 1.00 0.00 H new ATOM 0 HD2 HIS A 62 8.439 5.712 1.521 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.844 9.425 3.000 1.00 0.00 H new ATOM 921 N SER A 63 8.963 5.524 7.908 1.00 0.00 N ATOM 922 CA SER A 63 9.565 6.194 9.047 1.00 0.00 C ATOM 923 C SER A 63 9.060 7.635 9.135 1.00 0.00 C ATOM 924 O SER A 63 8.310 7.979 10.047 1.00 0.00 O ATOM 925 CB SER A 63 11.092 6.172 8.955 1.00 0.00 C ATOM 926 OG SER A 63 11.707 6.433 10.214 1.00 0.00 O ATOM 0 H SER A 63 8.304 4.784 8.148 1.00 0.00 H new ATOM 0 HA SER A 63 9.274 5.658 9.951 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.419 5.200 8.587 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.422 6.915 8.229 1.00 0.00 H new ATOM 0 HG SER A 63 12.682 6.408 10.113 1.00 0.00 H new ATOM 932 N GLY A 64 9.489 8.439 8.173 1.00 0.00 N ATOM 933 CA GLY A 64 9.089 9.835 8.130 1.00 0.00 C ATOM 934 C GLY A 64 9.830 10.584 7.020 1.00 0.00 C ATOM 935 O GLY A 64 10.126 10.013 5.972 1.00 0.00 O ATOM 0 H GLY A 64 10.110 8.150 7.417 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.014 9.904 7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.295 10.306 9.091 1.00 0.00 H new ATOM 939 N PRO A 65 10.117 11.884 7.297 1.00 0.00 N ATOM 940 CA PRO A 65 10.817 12.717 6.334 1.00 0.00 C ATOM 941 C PRO A 65 12.305 12.364 6.284 1.00 0.00 C ATOM 942 O PRO A 65 13.071 12.764 7.159 1.00 0.00 O ATOM 943 CB PRO A 65 10.560 14.145 6.788 1.00 0.00 C ATOM 944 CG PRO A 65 10.120 14.047 8.240 1.00 0.00 C ATOM 945 CD PRO A 65 9.782 12.594 8.528 1.00 0.00 C ATOM 0 HA PRO A 65 10.464 12.568 5.314 1.00 0.00 H new ATOM 0 HB2 PRO A 65 11.459 14.753 6.693 1.00 0.00 H new ATOM 0 HB3 PRO A 65 9.790 14.617 6.177 1.00 0.00 H new ATOM 0 HG2 PRO A 65 10.913 14.393 8.903 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.253 14.683 8.420 1.00 0.00 H new ATOM 0 HD2 PRO A 65 10.356 12.214 9.373 1.00 0.00 H new ATOM 0 HD3 PRO A 65 8.728 12.475 8.779 1.00 0.00 H new ATOM 953 N SER A 66 12.670 11.618 5.251 1.00 0.00 N ATOM 954 CA SER A 66 14.052 11.207 5.076 1.00 0.00 C ATOM 955 C SER A 66 14.319 10.883 3.605 1.00 0.00 C ATOM 956 O SER A 66 14.131 9.747 3.172 1.00 0.00 O ATOM 957 CB SER A 66 14.383 9.999 5.954 1.00 0.00 C ATOM 958 OG SER A 66 15.283 10.335 7.007 1.00 0.00 O ATOM 0 H SER A 66 12.032 11.288 4.527 1.00 0.00 H new ATOM 0 HA SER A 66 14.695 12.032 5.383 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.463 9.596 6.378 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.822 9.213 5.339 1.00 0.00 H new ATOM 0 HG SER A 66 15.468 9.538 7.546 1.00 0.00 H new ATOM 964 N SER A 67 14.753 11.901 2.876 1.00 0.00 N ATOM 965 CA SER A 67 15.048 11.738 1.463 1.00 0.00 C ATOM 966 C SER A 67 15.706 13.006 0.916 1.00 0.00 C ATOM 967 O SER A 67 16.835 12.964 0.430 1.00 0.00 O ATOM 968 CB SER A 67 13.780 11.414 0.670 1.00 0.00 C ATOM 969 OG SER A 67 14.034 11.324 -0.729 1.00 0.00 O ATOM 0 H SER A 67 14.907 12.842 3.238 1.00 0.00 H new ATOM 0 HA SER A 67 15.738 10.901 1.352 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.362 10.472 1.024 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.031 12.184 0.854 1.00 0.00 H new ATOM 0 HG SER A 67 13.201 11.114 -1.200 1.00 0.00 H new ATOM 975 N GLY A 68 14.972 14.105 1.014 1.00 0.00 N ATOM 976 CA GLY A 68 15.471 15.383 0.535 1.00 0.00 C ATOM 977 C GLY A 68 14.488 16.511 0.858 1.00 0.00 C ATOM 978 O GLY A 68 14.288 16.850 2.024 1.00 0.00 O ATOM 0 H GLY A 68 14.036 14.137 1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 68 16.437 15.595 0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 68 15.633 15.334 -0.542 1.00 0.00 H new TER 982 GLY A 68