USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 706 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 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 8 SER OG : rot -57:sc= 0.468 USER MOD Single : A 9 GLN : amide:sc= -0.0108 K(o=-0.011,f=-0.72) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -83:sc= 0.169 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 45:sc= 1.13 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -46:sc= 1.05 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0798 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.875! C(o=-4.4!,f=-0.87!) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.305 F(o=-1.1,f=-0.3) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0179 USER MOD Single : A 41 GLN : amide:sc= -0.78 K(o=-0.78,f=-1.9) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -1.91! C(o=-1.9!,f=-4.1!) USER MOD Single : A 50 ASN : amide:sc= 0.505 K(o=0.5,f=-0.0043) USER MOD Single : A 51 SER OG : rot -56:sc= 0.477 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 81:sc= 0.317 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.73 K(o=-0.73,f=-3.2!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.712 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -130:sc= -0.891 (180deg=-2.05!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 28:sc= 0.588 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.525 19.424 0.157 1.00 0.00 N ATOM 2 CA GLY A 1 19.356 20.825 0.492 1.00 0.00 C ATOM 3 C GLY A 1 20.055 21.200 1.784 1.00 0.00 C ATOM 4 O GLY A 1 21.245 20.934 1.953 1.00 0.00 O ATOM 0 H1 GLY A 1 19.029 19.218 -0.734 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.537 19.213 0.046 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.130 18.835 0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.746 21.439 -0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.293 21.049 0.579 1.00 0.00 H new ATOM 8 N SER A 2 19.316 21.823 2.696 1.00 0.00 N ATOM 9 CA SER A 2 19.874 22.241 3.977 1.00 0.00 C ATOM 10 C SER A 2 19.052 21.684 5.136 1.00 0.00 C ATOM 11 O SER A 2 17.852 21.445 5.001 1.00 0.00 O ATOM 12 CB SER A 2 19.927 23.767 4.061 1.00 0.00 C ATOM 13 OG SER A 2 20.957 24.288 3.239 1.00 0.00 O ATOM 0 H SER A 2 18.329 22.050 2.572 1.00 0.00 H new ATOM 0 HA SER A 2 20.887 21.845 4.050 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.968 24.185 3.756 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.093 24.072 5.094 1.00 0.00 H new ATOM 0 HG SER A 2 20.969 25.265 3.309 1.00 0.00 H new ATOM 19 N SER A 3 19.707 21.480 6.274 1.00 0.00 N ATOM 20 CA SER A 3 19.039 20.948 7.456 1.00 0.00 C ATOM 21 C SER A 3 18.346 22.061 8.235 1.00 0.00 C ATOM 22 O SER A 3 18.667 23.238 8.077 1.00 0.00 O ATOM 23 CB SER A 3 20.046 20.230 8.357 1.00 0.00 C ATOM 24 OG SER A 3 20.384 18.958 7.832 1.00 0.00 O ATOM 0 H SER A 3 20.700 21.675 6.403 1.00 0.00 H new ATOM 0 HA SER A 3 18.284 20.234 7.126 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.946 20.836 8.457 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.627 20.115 9.356 1.00 0.00 H new ATOM 0 HG SER A 3 21.030 18.520 8.425 1.00 0.00 H new ATOM 30 N GLY A 4 17.391 21.679 9.078 1.00 0.00 N ATOM 31 CA GLY A 4 16.666 22.656 9.869 1.00 0.00 C ATOM 32 C GLY A 4 16.341 22.148 11.260 1.00 0.00 C ATOM 33 O GLY A 4 16.249 20.941 11.482 1.00 0.00 O ATOM 0 H GLY A 4 17.107 20.711 9.227 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.258 23.568 9.947 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.741 22.920 9.356 1.00 0.00 H new ATOM 37 N SER A 5 16.166 23.072 12.200 1.00 0.00 N ATOM 38 CA SER A 5 15.855 22.712 13.578 1.00 0.00 C ATOM 39 C SER A 5 14.352 22.527 13.765 1.00 0.00 C ATOM 40 O SER A 5 13.553 23.346 13.309 1.00 0.00 O ATOM 41 CB SER A 5 16.371 23.786 14.538 1.00 0.00 C ATOM 42 OG SER A 5 15.528 24.924 14.531 1.00 0.00 O ATOM 0 H SER A 5 16.234 24.076 12.032 1.00 0.00 H new ATOM 0 HA SER A 5 16.351 21.767 13.801 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.429 23.379 15.547 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.382 24.077 14.253 1.00 0.00 H new ATOM 0 HG SER A 5 15.879 25.595 15.154 1.00 0.00 H new ATOM 48 N SER A 6 13.974 21.445 14.438 1.00 0.00 N ATOM 49 CA SER A 6 12.568 21.149 14.682 1.00 0.00 C ATOM 50 C SER A 6 12.389 20.421 16.011 1.00 0.00 C ATOM 51 O SER A 6 13.170 19.535 16.357 1.00 0.00 O ATOM 52 CB SER A 6 11.997 20.302 13.543 1.00 0.00 C ATOM 53 OG SER A 6 12.356 18.939 13.692 1.00 0.00 O ATOM 0 H SER A 6 14.622 20.759 14.824 1.00 0.00 H new ATOM 0 HA SER A 6 12.027 22.094 14.729 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.911 20.396 13.525 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.365 20.676 12.588 1.00 0.00 H new ATOM 0 HG SER A 6 11.978 18.418 12.953 1.00 0.00 H new ATOM 59 N GLY A 7 11.353 20.802 16.753 1.00 0.00 N ATOM 60 CA GLY A 7 11.089 20.176 18.035 1.00 0.00 C ATOM 61 C GLY A 7 9.737 20.563 18.602 1.00 0.00 C ATOM 62 O GLY A 7 9.486 21.736 18.880 1.00 0.00 O ATOM 0 H GLY A 7 10.692 21.533 16.489 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.136 19.093 17.923 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.870 20.458 18.741 1.00 0.00 H new ATOM 66 N SER A 8 8.864 19.576 18.773 1.00 0.00 N ATOM 67 CA SER A 8 7.528 19.820 19.305 1.00 0.00 C ATOM 68 C SER A 8 6.813 20.903 18.502 1.00 0.00 C ATOM 69 O SER A 8 6.152 21.773 19.067 1.00 0.00 O ATOM 70 CB SER A 8 7.610 20.231 20.777 1.00 0.00 C ATOM 71 OG SER A 8 6.320 20.297 21.360 1.00 0.00 O ATOM 0 H SER A 8 9.058 18.599 18.551 1.00 0.00 H new ATOM 0 HA SER A 8 6.957 18.895 19.224 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.224 19.515 21.324 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.100 21.201 20.860 1.00 0.00 H new ATOM 0 HG SER A 8 5.761 20.919 20.848 1.00 0.00 H new ATOM 77 N GLN A 9 6.952 20.840 17.182 1.00 0.00 N ATOM 78 CA GLN A 9 6.321 21.815 16.301 1.00 0.00 C ATOM 79 C GLN A 9 5.364 21.132 15.329 1.00 0.00 C ATOM 80 O GLN A 9 4.209 21.532 15.195 1.00 0.00 O ATOM 81 CB GLN A 9 7.383 22.596 15.525 1.00 0.00 C ATOM 82 CG GLN A 9 6.836 23.824 14.814 1.00 0.00 C ATOM 83 CD GLN A 9 7.876 24.916 14.652 1.00 0.00 C ATOM 84 OE1 GLN A 9 9.078 24.656 14.704 1.00 0.00 O ATOM 85 NE2 GLN A 9 7.417 26.146 14.454 1.00 0.00 N ATOM 0 H GLN A 9 7.496 20.125 16.699 1.00 0.00 H new ATOM 0 HA GLN A 9 5.750 22.508 16.919 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.170 22.905 16.213 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.843 21.936 14.790 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.463 23.534 13.832 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.987 24.216 15.375 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.412 26.316 14.418 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.070 26.921 14.338 1.00 0.00 H new ATOM 94 N GLY A 10 5.854 20.098 14.653 1.00 0.00 N ATOM 95 CA GLY A 10 5.030 19.375 13.702 1.00 0.00 C ATOM 96 C GLY A 10 4.541 20.258 12.570 1.00 0.00 C ATOM 97 O GLY A 10 3.566 20.993 12.724 1.00 0.00 O ATOM 0 H GLY A 10 6.807 19.748 14.747 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.601 18.543 13.289 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.173 18.946 14.221 1.00 0.00 H new ATOM 101 N ASP A 11 5.221 20.187 11.431 1.00 0.00 N ATOM 102 CA ASP A 11 4.851 20.987 10.269 1.00 0.00 C ATOM 103 C ASP A 11 4.094 20.143 9.248 1.00 0.00 C ATOM 104 O ASP A 11 4.232 18.920 9.214 1.00 0.00 O ATOM 105 CB ASP A 11 6.098 21.594 9.623 1.00 0.00 C ATOM 106 CG ASP A 11 6.941 22.373 10.613 1.00 0.00 C ATOM 107 OD1 ASP A 11 6.392 22.808 11.648 1.00 0.00 O ATOM 108 OD2 ASP A 11 8.150 22.548 10.354 1.00 0.00 O ATOM 0 H ASP A 11 6.031 19.584 11.287 1.00 0.00 H new ATOM 0 HA ASP A 11 4.197 21.792 10.605 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.700 20.799 9.184 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.798 22.253 8.808 1.00 0.00 H new ATOM 113 N CYS A 12 3.295 20.804 8.419 1.00 0.00 N ATOM 114 CA CYS A 12 2.514 20.115 7.398 1.00 0.00 C ATOM 115 C CYS A 12 2.941 20.552 6.000 1.00 0.00 C ATOM 116 O CYS A 12 3.234 21.724 5.767 1.00 0.00 O ATOM 117 CB CYS A 12 1.022 20.387 7.597 1.00 0.00 C ATOM 118 SG CYS A 12 -0.056 19.414 6.520 1.00 0.00 S ATOM 0 H CYS A 12 3.171 21.816 8.433 1.00 0.00 H new ATOM 0 HA CYS A 12 2.697 19.045 7.496 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.762 20.181 8.635 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.830 21.446 7.424 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.297 19.713 6.764 1.00 0.00 H new ATOM 124 N SER A 13 2.974 19.600 5.073 1.00 0.00 N ATOM 125 CA SER A 13 3.371 19.885 3.699 1.00 0.00 C ATOM 126 C SER A 13 2.605 19.002 2.718 1.00 0.00 C ATOM 127 O SER A 13 1.991 18.009 3.109 1.00 0.00 O ATOM 128 CB SER A 13 4.876 19.672 3.526 1.00 0.00 C ATOM 129 OG SER A 13 5.335 20.243 2.313 1.00 0.00 O ATOM 0 H SER A 13 2.731 18.625 5.248 1.00 0.00 H new ATOM 0 HA SER A 13 3.132 20.927 3.486 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.409 20.118 4.366 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.099 18.605 3.537 1.00 0.00 H new ATOM 0 HG SER A 13 5.169 19.620 1.575 1.00 0.00 H new ATOM 135 N TYR A 14 2.646 19.371 1.443 1.00 0.00 N ATOM 136 CA TYR A 14 1.955 18.615 0.405 1.00 0.00 C ATOM 137 C TYR A 14 2.239 17.122 0.538 1.00 0.00 C ATOM 138 O TYR A 14 3.387 16.709 0.696 1.00 0.00 O ATOM 139 CB TYR A 14 2.379 19.105 -0.980 1.00 0.00 C ATOM 140 CG TYR A 14 3.865 18.992 -1.234 1.00 0.00 C ATOM 141 CD1 TYR A 14 4.728 20.026 -0.892 1.00 0.00 C ATOM 142 CD2 TYR A 14 4.406 17.853 -1.816 1.00 0.00 C ATOM 143 CE1 TYR A 14 6.087 19.928 -1.123 1.00 0.00 C ATOM 144 CE2 TYR A 14 5.763 17.745 -2.049 1.00 0.00 C ATOM 145 CZ TYR A 14 6.599 18.785 -1.701 1.00 0.00 C ATOM 146 OH TYR A 14 7.952 18.683 -1.932 1.00 0.00 O ATOM 0 H TYR A 14 3.151 20.190 1.103 1.00 0.00 H new ATOM 0 HA TYR A 14 0.884 18.775 0.527 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.845 18.532 -1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.077 20.146 -1.096 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.330 20.921 -0.438 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.754 17.037 -2.091 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.744 20.741 -0.853 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.167 16.851 -2.501 1.00 0.00 H new ATOM 0 HH TYR A 14 8.149 17.816 -2.343 1.00 0.00 H new ATOM 156 N SER A 15 1.183 16.318 0.472 1.00 0.00 N ATOM 157 CA SER A 15 1.316 14.870 0.588 1.00 0.00 C ATOM 158 C SER A 15 2.377 14.344 -0.375 1.00 0.00 C ATOM 159 O SER A 15 2.172 14.321 -1.588 1.00 0.00 O ATOM 160 CB SER A 15 -0.025 14.189 0.309 1.00 0.00 C ATOM 161 OG SER A 15 -0.955 14.450 1.346 1.00 0.00 O ATOM 0 H SER A 15 0.226 16.644 0.339 1.00 0.00 H new ATOM 0 HA SER A 15 1.627 14.639 1.607 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.426 14.543 -0.641 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.123 13.114 0.211 1.00 0.00 H new ATOM 0 HG SER A 15 -1.804 14.005 1.143 1.00 0.00 H new ATOM 167 N ARG A 16 3.510 13.922 0.177 1.00 0.00 N ATOM 168 CA ARG A 16 4.604 13.397 -0.632 1.00 0.00 C ATOM 169 C ARG A 16 4.995 11.995 -0.172 1.00 0.00 C ATOM 170 O ARG A 16 5.421 11.163 -0.974 1.00 0.00 O ATOM 171 CB ARG A 16 5.816 14.327 -0.555 1.00 0.00 C ATOM 172 CG ARG A 16 6.547 14.266 0.776 1.00 0.00 C ATOM 173 CD ARG A 16 7.648 13.217 0.758 1.00 0.00 C ATOM 174 NE ARG A 16 8.390 13.180 2.016 1.00 0.00 N ATOM 175 CZ ARG A 16 9.349 12.299 2.278 1.00 0.00 C ATOM 176 NH1 ARG A 16 9.681 11.388 1.375 1.00 0.00 N ATOM 177 NH2 ARG A 16 9.978 12.330 3.446 1.00 0.00 N ATOM 0 H ARG A 16 3.694 13.933 1.180 1.00 0.00 H new ATOM 0 HA ARG A 16 4.264 13.341 -1.666 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.512 14.070 -1.354 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.489 15.351 -0.734 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.976 15.242 1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.838 14.038 1.572 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.212 12.237 0.566 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.335 13.427 -0.062 1.00 0.00 H new ATOM 0 HE ARG A 16 8.159 13.868 2.732 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.200 11.362 0.476 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.418 10.713 1.579 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.725 13.030 4.143 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.714 11.653 3.647 1.00 0.00 H new ATOM 191 N THR A 17 4.849 11.741 1.124 1.00 0.00 N ATOM 192 CA THR A 17 5.188 10.442 1.691 1.00 0.00 C ATOM 193 C THR A 17 3.990 9.822 2.402 1.00 0.00 C ATOM 194 O THR A 17 4.143 9.132 3.409 1.00 0.00 O ATOM 195 CB THR A 17 6.360 10.551 2.685 1.00 0.00 C ATOM 196 OG1 THR A 17 6.800 9.244 3.070 1.00 0.00 O ATOM 197 CG2 THR A 17 5.950 11.338 3.920 1.00 0.00 C ATOM 0 H THR A 17 4.498 12.418 1.801 1.00 0.00 H new ATOM 0 HA THR A 17 5.484 9.803 0.859 1.00 0.00 H new ATOM 0 HB THR A 17 7.177 11.078 2.192 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.862 8.673 2.276 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.794 11.402 4.607 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.644 12.342 3.627 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.118 10.835 4.412 1.00 0.00 H new ATOM 205 N ALA A 18 2.798 10.072 1.871 1.00 0.00 N ATOM 206 CA ALA A 18 1.574 9.536 2.453 1.00 0.00 C ATOM 207 C ALA A 18 1.577 8.011 2.430 1.00 0.00 C ATOM 208 O ALA A 18 1.522 7.364 3.477 1.00 0.00 O ATOM 209 CB ALA A 18 0.358 10.075 1.714 1.00 0.00 C ATOM 0 H ALA A 18 2.654 10.643 1.038 1.00 0.00 H new ATOM 0 HA ALA A 18 1.525 9.857 3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.549 9.666 2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.340 11.162 1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.411 9.783 0.665 1.00 0.00 H new ATOM 215 N LEU A 19 1.642 7.443 1.231 1.00 0.00 N ATOM 216 CA LEU A 19 1.651 5.993 1.072 1.00 0.00 C ATOM 217 C LEU A 19 2.440 5.327 2.195 1.00 0.00 C ATOM 218 O LEU A 19 1.993 4.339 2.779 1.00 0.00 O ATOM 219 CB LEU A 19 2.252 5.613 -0.283 1.00 0.00 C ATOM 220 CG LEU A 19 1.979 6.582 -1.433 1.00 0.00 C ATOM 221 CD1 LEU A 19 2.429 5.981 -2.756 1.00 0.00 C ATOM 222 CD2 LEU A 19 0.502 6.945 -1.486 1.00 0.00 C ATOM 0 H LEU A 19 1.689 7.964 0.355 1.00 0.00 H new ATOM 0 HA LEU A 19 0.621 5.641 1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.331 5.516 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.872 4.631 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 19 2.551 7.493 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.227 6.685 -3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.498 5.772 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.885 5.054 -2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.326 7.636 -2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.089 6.042 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.210 7.418 -0.548 1.00 0.00 H new ATOM 234 N TYR A 20 3.612 5.874 2.493 1.00 0.00 N ATOM 235 CA TYR A 20 4.463 5.333 3.546 1.00 0.00 C ATOM 236 C TYR A 20 3.801 5.484 4.913 1.00 0.00 C ATOM 237 O TYR A 20 3.712 4.526 5.681 1.00 0.00 O ATOM 238 CB TYR A 20 5.821 6.037 3.545 1.00 0.00 C ATOM 239 CG TYR A 20 6.427 6.183 2.168 1.00 0.00 C ATOM 240 CD1 TYR A 20 6.043 7.218 1.325 1.00 0.00 C ATOM 241 CD2 TYR A 20 7.383 5.285 1.709 1.00 0.00 C ATOM 242 CE1 TYR A 20 6.593 7.355 0.065 1.00 0.00 C ATOM 243 CE2 TYR A 20 7.940 5.415 0.451 1.00 0.00 C ATOM 244 CZ TYR A 20 7.541 6.451 -0.367 1.00 0.00 C ATOM 245 OH TYR A 20 8.092 6.585 -1.621 1.00 0.00 O ATOM 0 H TYR A 20 3.995 6.692 2.020 1.00 0.00 H new ATOM 0 HA TYR A 20 4.611 4.271 3.349 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.708 7.026 3.990 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.510 5.479 4.179 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.302 7.928 1.660 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.696 4.471 2.346 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.282 8.165 -0.578 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.683 4.709 0.111 1.00 0.00 H new ATOM 0 HH TYR A 20 8.744 5.868 -1.770 1.00 0.00 H new ATOM 255 N ASP A 21 3.337 6.693 5.208 1.00 0.00 N ATOM 256 CA ASP A 21 2.681 6.971 6.480 1.00 0.00 C ATOM 257 C ASP A 21 1.554 5.975 6.739 1.00 0.00 C ATOM 258 O ASP A 21 1.522 5.314 7.778 1.00 0.00 O ATOM 259 CB ASP A 21 2.131 8.398 6.494 1.00 0.00 C ATOM 260 CG ASP A 21 0.959 8.557 7.442 1.00 0.00 C ATOM 261 OD1 ASP A 21 -0.148 8.090 7.101 1.00 0.00 O ATOM 262 OD2 ASP A 21 1.149 9.148 8.526 1.00 0.00 O ATOM 0 H ASP A 21 3.403 7.497 4.583 1.00 0.00 H new ATOM 0 HA ASP A 21 3.422 6.868 7.273 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.924 9.087 6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.820 8.674 5.487 1.00 0.00 H new ATOM 267 N LEU A 22 0.631 5.875 5.789 1.00 0.00 N ATOM 268 CA LEU A 22 -0.499 4.961 5.914 1.00 0.00 C ATOM 269 C LEU A 22 -0.069 3.649 6.563 1.00 0.00 C ATOM 270 O LEU A 22 -0.685 3.188 7.525 1.00 0.00 O ATOM 271 CB LEU A 22 -1.113 4.687 4.540 1.00 0.00 C ATOM 272 CG LEU A 22 -2.078 5.749 4.012 1.00 0.00 C ATOM 273 CD1 LEU A 22 -1.324 6.813 3.230 1.00 0.00 C ATOM 274 CD2 LEU A 22 -3.153 5.110 3.146 1.00 0.00 C ATOM 0 H LEU A 22 0.643 6.415 4.924 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.247 5.432 6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.304 4.570 3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.641 3.734 4.584 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.563 6.227 4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.027 7.560 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.592 7.292 3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.812 6.350 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.831 5.881 2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.686 4.605 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.713 4.386 3.737 1.00 0.00 H new ATOM 286 N LEU A 23 0.992 3.052 6.031 1.00 0.00 N ATOM 287 CA LEU A 23 1.507 1.794 6.560 1.00 0.00 C ATOM 288 C LEU A 23 2.268 2.020 7.862 1.00 0.00 C ATOM 289 O LEU A 23 1.877 1.521 8.916 1.00 0.00 O ATOM 290 CB LEU A 23 2.419 1.122 5.532 1.00 0.00 C ATOM 291 CG LEU A 23 1.733 0.190 4.532 1.00 0.00 C ATOM 292 CD1 LEU A 23 0.632 0.927 3.786 1.00 0.00 C ATOM 293 CD2 LEU A 23 2.749 -0.386 3.557 1.00 0.00 C ATOM 0 H LEU A 23 1.512 3.419 5.234 1.00 0.00 H new ATOM 0 HA LEU A 23 0.659 1.141 6.767 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.939 1.901 4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.178 0.552 6.067 1.00 0.00 H new ATOM 0 HG LEU A 23 1.281 -0.635 5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.155 0.249 3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.110 1.290 4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.061 1.771 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.243 -1.047 2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.230 0.426 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.502 -0.950 4.107 1.00 0.00 H new ATOM 305 N GLY A 24 3.356 2.780 7.780 1.00 0.00 N ATOM 306 CA GLY A 24 4.154 3.061 8.960 1.00 0.00 C ATOM 307 C GLY A 24 5.630 2.800 8.737 1.00 0.00 C ATOM 308 O GLY A 24 6.378 2.569 9.688 1.00 0.00 O ATOM 0 H GLY A 24 3.699 3.206 6.919 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.012 4.102 9.251 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.801 2.447 9.788 1.00 0.00 H new ATOM 312 N VAL A 25 6.053 2.834 7.477 1.00 0.00 N ATOM 313 CA VAL A 25 7.449 2.598 7.132 1.00 0.00 C ATOM 314 C VAL A 25 8.141 3.893 6.724 1.00 0.00 C ATOM 315 O VAL A 25 7.516 4.829 6.223 1.00 0.00 O ATOM 316 CB VAL A 25 7.580 1.576 5.987 1.00 0.00 C ATOM 317 CG1 VAL A 25 7.024 0.225 6.411 1.00 0.00 C ATOM 318 CG2 VAL A 25 6.875 2.083 4.738 1.00 0.00 C ATOM 0 H VAL A 25 5.448 3.023 6.678 1.00 0.00 H new ATOM 0 HA VAL A 25 7.931 2.197 8.024 1.00 0.00 H new ATOM 0 HB VAL A 25 8.637 1.450 5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.125 -0.484 5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.577 -0.141 7.276 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.971 0.331 6.672 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.977 1.349 3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.818 2.239 4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.324 3.026 4.424 1.00 0.00 H new ATOM 328 N PRO A 26 9.463 3.952 6.941 1.00 0.00 N ATOM 329 CA PRO A 26 10.270 5.128 6.602 1.00 0.00 C ATOM 330 C PRO A 26 10.410 5.320 5.096 1.00 0.00 C ATOM 331 O PRO A 26 10.199 4.388 4.319 1.00 0.00 O ATOM 332 CB PRO A 26 11.631 4.819 7.231 1.00 0.00 C ATOM 333 CG PRO A 26 11.686 3.332 7.300 1.00 0.00 C ATOM 334 CD PRO A 26 10.273 2.875 7.535 1.00 0.00 C ATOM 0 HA PRO A 26 9.818 6.051 6.965 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.446 5.218 6.627 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.720 5.265 8.222 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.083 2.913 6.375 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.342 3.003 8.106 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.077 1.915 7.058 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.062 2.752 8.597 1.00 0.00 H new ATOM 342 N SER A 27 10.768 6.534 4.689 1.00 0.00 N ATOM 343 CA SER A 27 10.933 6.849 3.275 1.00 0.00 C ATOM 344 C SER A 27 12.003 5.963 2.643 1.00 0.00 C ATOM 345 O SER A 27 12.071 5.825 1.421 1.00 0.00 O ATOM 346 CB SER A 27 11.305 8.322 3.098 1.00 0.00 C ATOM 347 OG SER A 27 12.538 8.616 3.731 1.00 0.00 O ATOM 0 H SER A 27 10.949 7.316 5.319 1.00 0.00 H new ATOM 0 HA SER A 27 9.984 6.659 2.773 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.372 8.558 2.036 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.519 8.952 3.515 1.00 0.00 H new ATOM 0 HG SER A 27 12.754 9.563 3.602 1.00 0.00 H new ATOM 353 N THR A 28 12.840 5.364 3.485 1.00 0.00 N ATOM 354 CA THR A 28 13.908 4.493 3.011 1.00 0.00 C ATOM 355 C THR A 28 13.765 3.088 3.583 1.00 0.00 C ATOM 356 O THR A 28 14.758 2.402 3.825 1.00 0.00 O ATOM 357 CB THR A 28 15.295 5.050 3.386 1.00 0.00 C ATOM 358 OG1 THR A 28 16.321 4.222 2.829 1.00 0.00 O ATOM 359 CG2 THR A 28 15.458 5.122 4.897 1.00 0.00 C ATOM 0 H THR A 28 12.798 5.467 4.499 1.00 0.00 H new ATOM 0 HA THR A 28 13.824 4.450 1.925 1.00 0.00 H new ATOM 0 HB THR A 28 15.381 6.058 2.979 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.109 3.280 2.999 1.00 0.00 H new ATOM 0 HG21 THR A 28 16.444 5.518 5.138 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.692 5.776 5.315 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.354 4.124 5.322 1.00 0.00 H new ATOM 367 N ALA A 29 12.524 2.663 3.795 1.00 0.00 N ATOM 368 CA ALA A 29 12.252 1.337 4.336 1.00 0.00 C ATOM 369 C ALA A 29 12.644 0.248 3.342 1.00 0.00 C ATOM 370 O ALA A 29 13.159 0.535 2.261 1.00 0.00 O ATOM 371 CB ALA A 29 10.782 1.210 4.708 1.00 0.00 C ATOM 0 H ALA A 29 11.691 3.218 3.600 1.00 0.00 H new ATOM 0 HA ALA A 29 12.855 1.207 5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.593 0.215 5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.531 1.959 5.459 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.168 1.365 3.821 1.00 0.00 H new ATOM 377 N THR A 30 12.398 -1.004 3.716 1.00 0.00 N ATOM 378 CA THR A 30 12.727 -2.136 2.859 1.00 0.00 C ATOM 379 C THR A 30 11.479 -2.933 2.498 1.00 0.00 C ATOM 380 O THR A 30 10.480 -2.898 3.216 1.00 0.00 O ATOM 381 CB THR A 30 13.744 -3.074 3.534 1.00 0.00 C ATOM 382 OG1 THR A 30 13.991 -4.211 2.700 1.00 0.00 O ATOM 383 CG2 THR A 30 13.236 -3.536 4.892 1.00 0.00 C ATOM 0 H THR A 30 11.972 -1.259 4.607 1.00 0.00 H new ATOM 0 HA THR A 30 13.169 -1.727 1.950 1.00 0.00 H new ATOM 0 HB THR A 30 14.673 -2.522 3.679 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.640 -4.802 3.136 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.971 -4.198 5.350 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.077 -2.670 5.535 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.295 -4.072 4.766 1.00 0.00 H new ATOM 391 N GLN A 31 11.543 -3.652 1.382 1.00 0.00 N ATOM 392 CA GLN A 31 10.417 -4.458 0.927 1.00 0.00 C ATOM 393 C GLN A 31 9.870 -5.318 2.061 1.00 0.00 C ATOM 394 O GLN A 31 8.659 -5.398 2.264 1.00 0.00 O ATOM 395 CB GLN A 31 10.839 -5.346 -0.245 1.00 0.00 C ATOM 396 CG GLN A 31 11.135 -4.571 -1.519 1.00 0.00 C ATOM 397 CD GLN A 31 12.498 -3.907 -1.495 1.00 0.00 C ATOM 398 OE1 GLN A 31 12.522 -2.616 -1.186 1.00 0.00 O flip ATOM 399 NE2 GLN A 31 13.518 -4.547 -1.752 1.00 0.00 N flip ATOM 0 H GLN A 31 12.363 -3.693 0.776 1.00 0.00 H new ATOM 0 HA GLN A 31 9.629 -3.782 0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.725 -5.913 0.040 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.049 -6.070 -0.445 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.079 -5.247 -2.372 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.367 -3.811 -1.664 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.453 -5.538 -1.985 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.428 -4.086 -1.732 1.00 0.00 H new ATOM 408 N ALA A 32 10.771 -5.961 2.797 1.00 0.00 N ATOM 409 CA ALA A 32 10.378 -6.814 3.911 1.00 0.00 C ATOM 410 C ALA A 32 9.457 -6.072 4.873 1.00 0.00 C ATOM 411 O ALA A 32 8.546 -6.662 5.453 1.00 0.00 O ATOM 412 CB ALA A 32 11.610 -7.325 4.645 1.00 0.00 C ATOM 0 H ALA A 32 11.778 -5.907 2.641 1.00 0.00 H new ATOM 0 HA ALA A 32 9.829 -7.665 3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.301 -7.961 5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.230 -7.901 3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.182 -6.480 5.029 1.00 0.00 H new ATOM 418 N GLN A 33 9.702 -4.776 5.038 1.00 0.00 N ATOM 419 CA GLN A 33 8.894 -3.954 5.932 1.00 0.00 C ATOM 420 C GLN A 33 7.583 -3.552 5.265 1.00 0.00 C ATOM 421 O GLN A 33 6.505 -3.960 5.699 1.00 0.00 O ATOM 422 CB GLN A 33 9.671 -2.705 6.351 1.00 0.00 C ATOM 423 CG GLN A 33 10.827 -2.995 7.295 1.00 0.00 C ATOM 424 CD GLN A 33 11.475 -1.732 7.829 1.00 0.00 C ATOM 425 OE1 GLN A 33 12.800 -1.674 7.765 1.00 0.00 O flip ATOM 426 NE2 GLN A 33 10.792 -0.819 8.294 1.00 0.00 N flip ATOM 0 H GLN A 33 10.453 -4.273 4.565 1.00 0.00 H new ATOM 0 HA GLN A 33 8.663 -4.544 6.819 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.056 -2.211 5.459 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.987 -2.006 6.832 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.467 -3.595 8.130 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.576 -3.591 6.774 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.776 -0.906 8.323 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.242 0.024 8.650 1.00 0.00 H new ATOM 435 N ILE A 34 7.682 -2.751 4.210 1.00 0.00 N ATOM 436 CA ILE A 34 6.504 -2.295 3.484 1.00 0.00 C ATOM 437 C ILE A 34 5.421 -3.369 3.464 1.00 0.00 C ATOM 438 O ILE A 34 4.230 -3.067 3.545 1.00 0.00 O ATOM 439 CB ILE A 34 6.851 -1.905 2.035 1.00 0.00 C ATOM 440 CG1 ILE A 34 7.844 -0.740 2.021 1.00 0.00 C ATOM 441 CG2 ILE A 34 5.589 -1.541 1.267 1.00 0.00 C ATOM 442 CD1 ILE A 34 8.503 -0.524 0.677 1.00 0.00 C ATOM 0 H ILE A 34 8.567 -2.404 3.839 1.00 0.00 H new ATOM 0 HA ILE A 34 6.131 -1.415 4.009 1.00 0.00 H new ATOM 0 HB ILE A 34 7.316 -2.761 1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.325 0.173 2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.615 -0.921 2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.851 -1.268 0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.913 -2.396 1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.098 -0.698 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.193 0.317 0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.051 -1.422 0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.740 -0.311 -0.072 1.00 0.00 H new ATOM 454 N LYS A 35 5.843 -4.624 3.356 1.00 0.00 N ATOM 455 CA LYS A 35 4.910 -5.745 3.328 1.00 0.00 C ATOM 456 C LYS A 35 4.383 -6.048 4.727 1.00 0.00 C ATOM 457 O LYS A 35 3.173 -6.063 4.954 1.00 0.00 O ATOM 458 CB LYS A 35 5.591 -6.987 2.748 1.00 0.00 C ATOM 459 CG LYS A 35 4.617 -8.008 2.187 1.00 0.00 C ATOM 460 CD LYS A 35 5.342 -9.139 1.478 1.00 0.00 C ATOM 461 CE LYS A 35 4.369 -10.057 0.753 1.00 0.00 C ATOM 462 NZ LYS A 35 5.019 -11.328 0.327 1.00 0.00 N ATOM 0 H LYS A 35 6.825 -4.891 3.286 1.00 0.00 H new ATOM 0 HA LYS A 35 4.068 -5.470 2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.277 -6.680 1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.191 -7.459 3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.009 -8.415 2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.936 -7.518 1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.054 -8.725 0.764 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.916 -9.716 2.203 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.526 -10.281 1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.968 -9.544 -0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.324 -11.926 -0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.808 -11.116 -0.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.380 -11.831 1.163 1.00 0.00 H new ATOM 476 N ALA A 36 5.297 -6.288 5.661 1.00 0.00 N ATOM 477 CA ALA A 36 4.924 -6.587 7.037 1.00 0.00 C ATOM 478 C ALA A 36 3.967 -5.535 7.587 1.00 0.00 C ATOM 479 O ALA A 36 3.003 -5.860 8.279 1.00 0.00 O ATOM 480 CB ALA A 36 6.165 -6.684 7.912 1.00 0.00 C ATOM 0 H ALA A 36 6.302 -6.281 5.489 1.00 0.00 H new ATOM 0 HA ALA A 36 4.411 -7.548 7.047 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.871 -6.908 8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.812 -7.478 7.539 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.702 -5.736 7.888 1.00 0.00 H new ATOM 486 N ALA A 37 4.241 -4.272 7.276 1.00 0.00 N ATOM 487 CA ALA A 37 3.404 -3.173 7.739 1.00 0.00 C ATOM 488 C ALA A 37 2.029 -3.215 7.080 1.00 0.00 C ATOM 489 O ALA A 37 1.009 -3.001 7.736 1.00 0.00 O ATOM 490 CB ALA A 37 4.083 -1.840 7.462 1.00 0.00 C ATOM 0 H ALA A 37 5.036 -3.985 6.705 1.00 0.00 H new ATOM 0 HA ALA A 37 3.266 -3.282 8.815 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.447 -1.028 7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.039 -1.803 7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.250 -1.733 6.390 1.00 0.00 H new ATOM 496 N TYR A 38 2.009 -3.491 5.781 1.00 0.00 N ATOM 497 CA TYR A 38 0.759 -3.558 5.033 1.00 0.00 C ATOM 498 C TYR A 38 -0.123 -4.693 5.547 1.00 0.00 C ATOM 499 O TYR A 38 -1.350 -4.592 5.539 1.00 0.00 O ATOM 500 CB TYR A 38 1.042 -3.752 3.543 1.00 0.00 C ATOM 501 CG TYR A 38 -0.200 -4.006 2.718 1.00 0.00 C ATOM 502 CD1 TYR A 38 -1.132 -2.998 2.501 1.00 0.00 C ATOM 503 CD2 TYR A 38 -0.443 -5.254 2.158 1.00 0.00 C ATOM 504 CE1 TYR A 38 -2.268 -3.226 1.749 1.00 0.00 C ATOM 505 CE2 TYR A 38 -1.576 -5.491 1.404 1.00 0.00 C ATOM 506 CZ TYR A 38 -2.486 -4.474 1.203 1.00 0.00 C ATOM 507 OH TYR A 38 -3.616 -4.706 0.453 1.00 0.00 O ATOM 0 H TYR A 38 2.844 -3.672 5.224 1.00 0.00 H new ATOM 0 HA TYR A 38 0.229 -2.617 5.176 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.548 -2.866 3.160 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.728 -4.590 3.418 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.965 -2.020 2.928 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.266 -6.053 2.315 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.982 -2.431 1.589 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.748 -6.467 0.974 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.617 -5.635 0.141 1.00 0.00 H new ATOM 517 N TYR A 39 0.512 -5.771 5.992 1.00 0.00 N ATOM 518 CA TYR A 39 -0.213 -6.926 6.508 1.00 0.00 C ATOM 519 C TYR A 39 -0.857 -6.608 7.855 1.00 0.00 C ATOM 520 O TYR A 39 -2.081 -6.609 7.986 1.00 0.00 O ATOM 521 CB TYR A 39 0.728 -8.123 6.650 1.00 0.00 C ATOM 522 CG TYR A 39 0.860 -8.943 5.386 1.00 0.00 C ATOM 523 CD1 TYR A 39 1.239 -8.351 4.188 1.00 0.00 C ATOM 524 CD2 TYR A 39 0.607 -10.309 5.391 1.00 0.00 C ATOM 525 CE1 TYR A 39 1.360 -9.095 3.030 1.00 0.00 C ATOM 526 CE2 TYR A 39 0.727 -11.061 4.238 1.00 0.00 C ATOM 527 CZ TYR A 39 1.104 -10.450 3.061 1.00 0.00 C ATOM 528 OH TYR A 39 1.225 -11.195 1.910 1.00 0.00 O ATOM 0 H TYR A 39 1.527 -5.869 6.006 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.002 -7.175 5.798 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.714 -7.766 6.946 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.367 -8.765 7.454 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.443 -7.291 4.161 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.312 -10.791 6.311 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.653 -8.618 2.106 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.526 -12.122 4.259 1.00 0.00 H new ATOM 0 HH TYR A 39 1.011 -12.132 2.103 1.00 0.00 H new ATOM 538 N ARG A 40 -0.022 -6.336 8.852 1.00 0.00 N ATOM 539 CA ARG A 40 -0.508 -6.017 10.189 1.00 0.00 C ATOM 540 C ARG A 40 -1.776 -5.170 10.119 1.00 0.00 C ATOM 541 O ARG A 40 -2.691 -5.339 10.924 1.00 0.00 O ATOM 542 CB ARG A 40 0.569 -5.277 10.984 1.00 0.00 C ATOM 543 CG ARG A 40 1.053 -4.002 10.313 1.00 0.00 C ATOM 544 CD ARG A 40 1.911 -3.169 11.252 1.00 0.00 C ATOM 545 NE ARG A 40 3.071 -3.912 11.736 1.00 0.00 N ATOM 546 CZ ARG A 40 4.186 -3.333 12.171 1.00 0.00 C ATOM 547 NH1 ARG A 40 4.289 -2.011 12.181 1.00 0.00 N ATOM 548 NH2 ARG A 40 5.199 -4.077 12.596 1.00 0.00 N ATOM 0 H ARG A 40 0.994 -6.330 8.760 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.744 -6.953 10.695 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.176 -5.032 11.971 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.419 -5.943 11.136 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.627 -4.254 9.421 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.196 -3.415 9.984 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.246 -2.270 10.735 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.309 -2.843 12.100 1.00 0.00 H new ATOM 0 HE ARG A 40 3.023 -4.931 11.741 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.512 -1.436 11.855 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.145 -1.569 12.515 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.123 -5.094 12.589 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.054 -3.632 12.930 1.00 0.00 H new ATOM 562 N GLN A 41 -1.820 -4.259 9.153 1.00 0.00 N ATOM 563 CA GLN A 41 -2.974 -3.385 8.979 1.00 0.00 C ATOM 564 C GLN A 41 -4.266 -4.194 8.929 1.00 0.00 C ATOM 565 O GLN A 41 -5.134 -4.049 9.790 1.00 0.00 O ATOM 566 CB GLN A 41 -2.826 -2.558 7.701 1.00 0.00 C ATOM 567 CG GLN A 41 -1.844 -1.405 7.833 1.00 0.00 C ATOM 568 CD GLN A 41 -1.893 -0.750 9.200 1.00 0.00 C ATOM 569 OE1 GLN A 41 -2.963 -0.385 9.688 1.00 0.00 O ATOM 570 NE2 GLN A 41 -0.732 -0.598 9.826 1.00 0.00 N ATOM 0 H GLN A 41 -1.070 -4.107 8.479 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.021 -2.712 9.835 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.500 -3.211 6.891 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.802 -2.163 7.419 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.834 -1.770 7.645 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.061 -0.659 7.069 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.131 -0.915 9.384 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.703 -0.164 10.749 1.00 0.00 H new ATOM 579 N CYS A 42 -4.387 -5.044 7.915 1.00 0.00 N ATOM 580 CA CYS A 42 -5.575 -5.875 7.752 1.00 0.00 C ATOM 581 C CYS A 42 -6.137 -6.292 9.107 1.00 0.00 C ATOM 582 O CYS A 42 -7.341 -6.198 9.347 1.00 0.00 O ATOM 583 CB CYS A 42 -5.244 -7.115 6.920 1.00 0.00 C ATOM 584 SG CYS A 42 -6.696 -8.007 6.315 1.00 0.00 S ATOM 0 H CYS A 42 -3.678 -5.176 7.194 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.331 -5.288 7.231 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -4.634 -6.815 6.068 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.639 -7.793 7.522 1.00 0.00 H new ATOM 0 HG CYS A 42 -6.314 -9.038 5.621 1.00 0.00 H new ATOM 590 N PHE A 43 -5.257 -6.756 9.989 1.00 0.00 N ATOM 591 CA PHE A 43 -5.666 -7.190 11.320 1.00 0.00 C ATOM 592 C PHE A 43 -6.389 -6.069 12.060 1.00 0.00 C ATOM 593 O PHE A 43 -7.505 -6.251 12.550 1.00 0.00 O ATOM 594 CB PHE A 43 -4.449 -7.647 12.127 1.00 0.00 C ATOM 595 CG PHE A 43 -4.784 -8.076 13.526 1.00 0.00 C ATOM 596 CD1 PHE A 43 -4.888 -7.143 14.545 1.00 0.00 C ATOM 597 CD2 PHE A 43 -4.994 -9.413 13.823 1.00 0.00 C ATOM 598 CE1 PHE A 43 -5.197 -7.535 15.834 1.00 0.00 C ATOM 599 CE2 PHE A 43 -5.304 -9.811 15.110 1.00 0.00 C ATOM 600 CZ PHE A 43 -5.404 -8.871 16.117 1.00 0.00 C ATOM 0 H PHE A 43 -4.257 -6.841 9.806 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.353 -8.028 11.206 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.969 -8.476 11.607 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.725 -6.834 12.169 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.726 -6.097 14.330 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.915 -10.153 13.040 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.276 -6.797 16.619 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.468 -10.856 15.328 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.644 -9.180 17.124 1.00 0.00 H new ATOM 610 N LEU A 44 -5.747 -4.909 12.138 1.00 0.00 N ATOM 611 CA LEU A 44 -6.327 -3.757 12.819 1.00 0.00 C ATOM 612 C LEU A 44 -7.779 -3.551 12.399 1.00 0.00 C ATOM 613 O LEU A 44 -8.643 -3.275 13.232 1.00 0.00 O ATOM 614 CB LEU A 44 -5.513 -2.497 12.516 1.00 0.00 C ATOM 615 CG LEU A 44 -4.318 -2.234 13.432 1.00 0.00 C ATOM 616 CD1 LEU A 44 -3.396 -1.190 12.820 1.00 0.00 C ATOM 617 CD2 LEU A 44 -4.789 -1.791 14.809 1.00 0.00 C ATOM 0 H LEU A 44 -4.824 -4.741 11.738 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.302 -3.949 13.892 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.152 -2.560 11.490 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.180 -1.637 12.567 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.758 -3.163 13.543 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.551 -1.016 13.486 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.031 -1.547 11.857 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.944 -0.259 12.678 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.925 -1.608 15.448 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.372 -0.875 14.717 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.408 -2.572 15.251 1.00 0.00 H new ATOM 629 N TYR A 45 -8.040 -3.689 11.104 1.00 0.00 N ATOM 630 CA TYR A 45 -9.388 -3.518 10.574 1.00 0.00 C ATOM 631 C TYR A 45 -9.880 -4.802 9.912 1.00 0.00 C ATOM 632 O TYR A 45 -9.592 -5.061 8.743 1.00 0.00 O ATOM 633 CB TYR A 45 -9.420 -2.367 9.567 1.00 0.00 C ATOM 634 CG TYR A 45 -8.754 -1.106 10.068 1.00 0.00 C ATOM 635 CD1 TYR A 45 -7.369 -0.999 10.114 1.00 0.00 C ATOM 636 CD2 TYR A 45 -9.509 -0.020 10.494 1.00 0.00 C ATOM 637 CE1 TYR A 45 -6.756 0.151 10.572 1.00 0.00 C ATOM 638 CE2 TYR A 45 -8.904 1.135 10.951 1.00 0.00 C ATOM 639 CZ TYR A 45 -7.528 1.215 10.989 1.00 0.00 C ATOM 640 OH TYR A 45 -6.921 2.364 11.444 1.00 0.00 O ATOM 0 H TYR A 45 -7.337 -3.919 10.402 1.00 0.00 H new ATOM 0 HA TYR A 45 -10.051 -3.283 11.406 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.930 -2.686 8.647 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.457 -2.145 9.315 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.761 -1.829 9.786 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.587 -0.080 10.467 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.678 0.217 10.603 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.506 1.971 11.277 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.606 3.017 11.698 1.00 0.00 H new ATOM 650 N HIS A 46 -10.624 -5.602 10.669 1.00 0.00 N ATOM 651 CA HIS A 46 -11.158 -6.859 10.156 1.00 0.00 C ATOM 652 C HIS A 46 -12.597 -6.684 9.680 1.00 0.00 C ATOM 653 O HIS A 46 -13.331 -5.816 10.152 1.00 0.00 O ATOM 654 CB HIS A 46 -11.094 -7.942 11.234 1.00 0.00 C ATOM 655 CG HIS A 46 -9.815 -8.722 11.223 1.00 0.00 C ATOM 656 ND1 HIS A 46 -9.415 -9.495 10.154 1.00 0.00 N ATOM 657 CD2 HIS A 46 -8.845 -8.844 12.158 1.00 0.00 C ATOM 658 CE1 HIS A 46 -8.254 -10.061 10.433 1.00 0.00 C ATOM 659 NE2 HIS A 46 -7.885 -9.681 11.643 1.00 0.00 N ATOM 0 H HIS A 46 -10.871 -5.403 11.638 1.00 0.00 H new ATOM 0 HA HIS A 46 -10.547 -7.165 9.307 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -11.218 -7.477 12.212 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -11.930 -8.628 11.098 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -8.828 -8.371 13.129 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.701 -10.722 9.782 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.027 -9.963 12.118 1.00 0.00 H new ATOM 667 N PRO A 47 -13.011 -7.527 8.722 1.00 0.00 N ATOM 668 CA PRO A 47 -14.364 -7.485 8.161 1.00 0.00 C ATOM 669 C PRO A 47 -15.420 -7.946 9.160 1.00 0.00 C ATOM 670 O PRO A 47 -16.615 -7.722 8.963 1.00 0.00 O ATOM 671 CB PRO A 47 -14.288 -8.453 6.978 1.00 0.00 C ATOM 672 CG PRO A 47 -13.186 -9.393 7.328 1.00 0.00 C ATOM 673 CD PRO A 47 -12.189 -8.587 8.114 1.00 0.00 C ATOM 0 HA PRO A 47 -14.659 -6.473 7.883 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -15.231 -8.982 6.838 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -14.078 -7.925 6.048 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -13.560 -10.232 7.915 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -12.730 -9.811 6.431 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.690 -9.192 8.871 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.411 -8.174 7.472 1.00 0.00 H new ATOM 681 N ASP A 48 -14.973 -8.590 10.232 1.00 0.00 N ATOM 682 CA ASP A 48 -15.880 -9.082 11.263 1.00 0.00 C ATOM 683 C ASP A 48 -16.095 -8.028 12.344 1.00 0.00 C ATOM 684 O ASP A 48 -17.221 -7.800 12.788 1.00 0.00 O ATOM 685 CB ASP A 48 -15.330 -10.365 11.887 1.00 0.00 C ATOM 686 CG ASP A 48 -15.089 -11.452 10.858 1.00 0.00 C ATOM 687 OD1 ASP A 48 -16.068 -12.116 10.457 1.00 0.00 O ATOM 688 OD2 ASP A 48 -13.922 -11.639 10.453 1.00 0.00 O ATOM 0 H ASP A 48 -13.988 -8.784 10.410 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.840 -9.298 10.795 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.396 -10.143 12.403 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.030 -10.729 12.639 1.00 0.00 H new ATOM 693 N ARG A 49 -15.009 -7.388 12.765 1.00 0.00 N ATOM 694 CA ARG A 49 -15.079 -6.360 13.796 1.00 0.00 C ATOM 695 C ARG A 49 -15.852 -5.142 13.298 1.00 0.00 C ATOM 696 O ARG A 49 -16.802 -4.694 13.938 1.00 0.00 O ATOM 697 CB ARG A 49 -13.672 -5.942 14.226 1.00 0.00 C ATOM 698 CG ARG A 49 -13.043 -6.879 15.246 1.00 0.00 C ATOM 699 CD ARG A 49 -12.403 -8.084 14.574 1.00 0.00 C ATOM 700 NE ARG A 49 -12.235 -9.201 15.500 1.00 0.00 N ATOM 701 CZ ARG A 49 -12.073 -10.460 15.111 1.00 0.00 C ATOM 702 NH1 ARG A 49 -12.055 -10.761 13.820 1.00 0.00 N ATOM 703 NH2 ARG A 49 -11.926 -11.422 16.013 1.00 0.00 N ATOM 0 H ARG A 49 -14.070 -7.564 12.408 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.605 -6.778 14.654 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.031 -5.894 13.345 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.713 -4.937 14.645 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.291 -6.340 15.822 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.804 -7.215 15.951 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.020 -8.400 13.733 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.432 -7.800 14.168 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.243 -9.003 16.501 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.166 -10.025 13.123 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.930 -11.729 13.524 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.937 -11.195 17.007 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.802 -12.389 15.712 1.00 0.00 H new ATOM 717 N ASN A 50 -15.438 -4.612 12.152 1.00 0.00 N ATOM 718 CA ASN A 50 -16.091 -3.446 11.569 1.00 0.00 C ATOM 719 C ASN A 50 -17.433 -3.826 10.951 1.00 0.00 C ATOM 720 O ASN A 50 -18.440 -3.153 11.168 1.00 0.00 O ATOM 721 CB ASN A 50 -15.191 -2.809 10.508 1.00 0.00 C ATOM 722 CG ASN A 50 -13.854 -2.368 11.073 1.00 0.00 C ATOM 723 OD1 ASN A 50 -13.749 -1.311 11.695 1.00 0.00 O ATOM 724 ND2 ASN A 50 -12.824 -3.178 10.857 1.00 0.00 N ATOM 0 H ASN A 50 -14.653 -4.971 11.609 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.269 -2.724 12.366 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -15.024 -3.523 9.701 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.700 -1.949 10.073 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.900 -2.933 11.212 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.957 -4.045 10.336 1.00 0.00 H new ATOM 731 N SER A 51 -17.438 -4.910 10.182 1.00 0.00 N ATOM 732 CA SER A 51 -18.656 -5.379 9.530 1.00 0.00 C ATOM 733 C SER A 51 -19.121 -4.385 8.470 1.00 0.00 C ATOM 734 O SER A 51 -20.317 -4.143 8.312 1.00 0.00 O ATOM 735 CB SER A 51 -19.763 -5.594 10.564 1.00 0.00 C ATOM 736 OG SER A 51 -20.885 -6.235 9.984 1.00 0.00 O ATOM 0 H SER A 51 -16.613 -5.480 9.995 1.00 0.00 H new ATOM 0 HA SER A 51 -18.435 -6.328 9.042 1.00 0.00 H new ATOM 0 HB2 SER A 51 -19.382 -6.196 11.389 1.00 0.00 H new ATOM 0 HB3 SER A 51 -20.065 -4.634 10.983 1.00 0.00 H new ATOM 0 HG SER A 51 -21.203 -5.710 9.220 1.00 0.00 H new ATOM 742 N GLY A 52 -18.166 -3.812 7.745 1.00 0.00 N ATOM 743 CA GLY A 52 -18.496 -2.851 6.709 1.00 0.00 C ATOM 744 C GLY A 52 -18.644 -1.443 7.249 1.00 0.00 C ATOM 745 O GLY A 52 -19.657 -0.784 7.016 1.00 0.00 O ATOM 0 H GLY A 52 -17.169 -3.996 7.857 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -17.718 -2.864 5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -19.425 -3.150 6.223 1.00 0.00 H new ATOM 749 N SER A 53 -17.632 -0.980 7.976 1.00 0.00 N ATOM 750 CA SER A 53 -17.656 0.357 8.557 1.00 0.00 C ATOM 751 C SER A 53 -17.429 1.419 7.485 1.00 0.00 C ATOM 752 O SER A 53 -16.694 1.198 6.523 1.00 0.00 O ATOM 753 CB SER A 53 -16.591 0.481 9.648 1.00 0.00 C ATOM 754 OG SER A 53 -16.613 1.770 10.238 1.00 0.00 O ATOM 0 H SER A 53 -16.785 -1.512 8.177 1.00 0.00 H new ATOM 0 HA SER A 53 -18.639 0.517 9.000 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.761 -0.276 10.414 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.606 0.289 9.223 1.00 0.00 H new ATOM 0 HG SER A 53 -15.924 1.823 10.933 1.00 0.00 H new ATOM 760 N ALA A 54 -18.065 2.573 7.660 1.00 0.00 N ATOM 761 CA ALA A 54 -17.931 3.670 6.710 1.00 0.00 C ATOM 762 C ALA A 54 -16.520 4.247 6.732 1.00 0.00 C ATOM 763 O ALA A 54 -15.838 4.282 5.709 1.00 0.00 O ATOM 764 CB ALA A 54 -18.952 4.757 7.012 1.00 0.00 C ATOM 0 H ALA A 54 -18.678 2.772 8.451 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.119 3.277 5.711 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -18.841 5.570 6.295 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -19.957 4.343 6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.790 5.138 8.020 1.00 0.00 H new ATOM 770 N GLU A 55 -16.088 4.698 7.906 1.00 0.00 N ATOM 771 CA GLU A 55 -14.758 5.274 8.060 1.00 0.00 C ATOM 772 C GLU A 55 -13.688 4.325 7.528 1.00 0.00 C ATOM 773 O GLU A 55 -12.855 4.708 6.708 1.00 0.00 O ATOM 774 CB GLU A 55 -14.484 5.596 9.531 1.00 0.00 C ATOM 775 CG GLU A 55 -15.484 6.566 10.138 1.00 0.00 C ATOM 776 CD GLU A 55 -15.210 8.006 9.748 1.00 0.00 C ATOM 777 OE1 GLU A 55 -15.638 8.415 8.649 1.00 0.00 O ATOM 778 OE2 GLU A 55 -14.568 8.723 10.544 1.00 0.00 O ATOM 0 H GLU A 55 -16.640 4.675 8.763 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.721 6.196 7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.495 4.670 10.105 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.482 6.016 9.622 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.490 6.292 9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.458 6.476 11.224 1.00 0.00 H new ATOM 785 N ALA A 56 -13.719 3.083 8.002 1.00 0.00 N ATOM 786 CA ALA A 56 -12.754 2.078 7.574 1.00 0.00 C ATOM 787 C ALA A 56 -12.764 1.918 6.058 1.00 0.00 C ATOM 788 O ALA A 56 -11.711 1.878 5.422 1.00 0.00 O ATOM 789 CB ALA A 56 -13.045 0.746 8.249 1.00 0.00 C ATOM 0 H ALA A 56 -14.402 2.749 8.682 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.761 2.414 7.871 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.317 0.005 7.920 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.979 0.864 9.331 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.048 0.413 7.980 1.00 0.00 H new ATOM 795 N ALA A 57 -13.960 1.827 5.485 1.00 0.00 N ATOM 796 CA ALA A 57 -14.106 1.673 4.043 1.00 0.00 C ATOM 797 C ALA A 57 -13.024 2.444 3.296 1.00 0.00 C ATOM 798 O ALA A 57 -12.211 1.857 2.582 1.00 0.00 O ATOM 799 CB ALA A 57 -15.487 2.133 3.600 1.00 0.00 C ATOM 0 H ALA A 57 -14.841 1.857 5.997 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.993 0.616 3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.582 2.012 2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.248 1.534 4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.622 3.183 3.861 1.00 0.00 H new ATOM 805 N GLU A 58 -13.020 3.763 3.464 1.00 0.00 N ATOM 806 CA GLU A 58 -12.038 4.614 2.804 1.00 0.00 C ATOM 807 C GLU A 58 -10.618 4.173 3.145 1.00 0.00 C ATOM 808 O GLU A 58 -9.765 4.053 2.266 1.00 0.00 O ATOM 809 CB GLU A 58 -12.241 6.076 3.210 1.00 0.00 C ATOM 810 CG GLU A 58 -13.626 6.610 2.888 1.00 0.00 C ATOM 811 CD GLU A 58 -13.959 6.515 1.411 1.00 0.00 C ATOM 812 OE1 GLU A 58 -13.662 7.477 0.673 1.00 0.00 O ATOM 813 OE2 GLU A 58 -14.517 5.478 0.995 1.00 0.00 O ATOM 0 H GLU A 58 -13.686 4.265 4.052 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.180 4.520 1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.062 6.175 4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.497 6.691 2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -14.368 6.053 3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.693 7.651 3.206 1.00 0.00 H new ATOM 820 N ARG A 59 -10.372 3.933 4.429 1.00 0.00 N ATOM 821 CA ARG A 59 -9.055 3.507 4.888 1.00 0.00 C ATOM 822 C ARG A 59 -8.617 2.232 4.174 1.00 0.00 C ATOM 823 O ARG A 59 -7.656 2.239 3.404 1.00 0.00 O ATOM 824 CB ARG A 59 -9.069 3.278 6.401 1.00 0.00 C ATOM 825 CG ARG A 59 -7.695 2.995 6.986 1.00 0.00 C ATOM 826 CD ARG A 59 -7.702 3.105 8.503 1.00 0.00 C ATOM 827 NE ARG A 59 -7.764 4.493 8.951 1.00 0.00 N ATOM 828 CZ ARG A 59 -6.703 5.289 9.026 1.00 0.00 C ATOM 829 NH1 ARG A 59 -5.505 4.837 8.684 1.00 0.00 N ATOM 830 NH2 ARG A 59 -6.840 6.542 9.444 1.00 0.00 N ATOM 0 H ARG A 59 -11.067 4.026 5.170 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.342 4.298 4.653 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.489 4.158 6.889 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.730 2.442 6.627 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.373 1.995 6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.971 3.697 6.573 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.555 2.557 8.902 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.805 2.634 8.905 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.671 4.872 9.221 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.396 3.875 8.362 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.692 5.451 8.743 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.760 6.894 9.708 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.025 7.153 9.501 1.00 0.00 H new ATOM 844 N PHE A 60 -9.327 1.140 4.434 1.00 0.00 N ATOM 845 CA PHE A 60 -9.011 -0.143 3.817 1.00 0.00 C ATOM 846 C PHE A 60 -8.633 0.037 2.350 1.00 0.00 C ATOM 847 O PHE A 60 -7.628 -0.502 1.884 1.00 0.00 O ATOM 848 CB PHE A 60 -10.201 -1.097 3.935 1.00 0.00 C ATOM 849 CG PHE A 60 -9.834 -2.541 3.740 1.00 0.00 C ATOM 850 CD1 PHE A 60 -9.023 -3.193 4.654 1.00 0.00 C ATOM 851 CD2 PHE A 60 -10.300 -3.245 2.641 1.00 0.00 C ATOM 852 CE1 PHE A 60 -8.684 -4.521 4.478 1.00 0.00 C ATOM 853 CE2 PHE A 60 -9.964 -4.573 2.459 1.00 0.00 C ATOM 854 CZ PHE A 60 -9.154 -5.212 3.378 1.00 0.00 C ATOM 0 H PHE A 60 -10.126 1.117 5.068 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.158 -0.570 4.344 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.657 -0.976 4.917 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.954 -0.819 3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.651 -2.657 5.515 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -10.933 -2.750 1.919 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.052 -5.018 5.199 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.334 -5.111 1.599 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.889 -6.249 3.237 1.00 0.00 H new ATOM 864 N THR A 61 -9.446 0.800 1.625 1.00 0.00 N ATOM 865 CA THR A 61 -9.199 1.051 0.211 1.00 0.00 C ATOM 866 C THR A 61 -7.884 1.793 0.005 1.00 0.00 C ATOM 867 O THR A 61 -7.071 1.413 -0.837 1.00 0.00 O ATOM 868 CB THR A 61 -10.341 1.868 -0.422 1.00 0.00 C ATOM 869 OG1 THR A 61 -11.576 1.152 -0.311 1.00 0.00 O ATOM 870 CG2 THR A 61 -10.049 2.163 -1.886 1.00 0.00 C ATOM 0 H THR A 61 -10.281 1.255 1.994 1.00 0.00 H new ATOM 0 HA THR A 61 -9.144 0.078 -0.277 1.00 0.00 H new ATOM 0 HB THR A 61 -10.421 2.814 0.113 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.949 1.280 0.586 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.870 2.741 -2.311 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.124 2.734 -1.965 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.944 1.226 -2.432 1.00 0.00 H new ATOM 878 N ARG A 62 -7.680 2.853 0.781 1.00 0.00 N ATOM 879 CA ARG A 62 -6.463 3.649 0.683 1.00 0.00 C ATOM 880 C ARG A 62 -5.230 2.794 0.960 1.00 0.00 C ATOM 881 O ARG A 62 -4.314 2.724 0.140 1.00 0.00 O ATOM 882 CB ARG A 62 -6.514 4.822 1.664 1.00 0.00 C ATOM 883 CG ARG A 62 -7.374 5.980 1.185 1.00 0.00 C ATOM 884 CD ARG A 62 -7.257 7.181 2.110 1.00 0.00 C ATOM 885 NE ARG A 62 -8.012 6.996 3.346 1.00 0.00 N ATOM 886 CZ ARG A 62 -7.731 7.627 4.480 1.00 0.00 C ATOM 887 NH1 ARG A 62 -6.718 8.480 4.535 1.00 0.00 N ATOM 888 NH2 ARG A 62 -8.465 7.405 5.564 1.00 0.00 N ATOM 0 H ARG A 62 -8.342 3.180 1.484 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.394 4.037 -0.333 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.897 4.468 2.621 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.500 5.182 1.840 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.073 6.265 0.177 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.415 5.663 1.129 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.208 7.354 2.349 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.617 8.072 1.595 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.798 6.346 3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.152 8.653 3.705 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.505 8.963 5.408 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.245 6.749 5.526 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.248 7.890 6.435 1.00 0.00 H new ATOM 902 N ILE A 63 -5.215 2.146 2.120 1.00 0.00 N ATOM 903 CA ILE A 63 -4.096 1.295 2.504 1.00 0.00 C ATOM 904 C ILE A 63 -3.528 0.555 1.298 1.00 0.00 C ATOM 905 O ILE A 63 -2.334 0.641 1.009 1.00 0.00 O ATOM 906 CB ILE A 63 -4.511 0.267 3.574 1.00 0.00 C ATOM 907 CG1 ILE A 63 -5.025 0.981 4.826 1.00 0.00 C ATOM 908 CG2 ILE A 63 -3.340 -0.641 3.918 1.00 0.00 C ATOM 909 CD1 ILE A 63 -5.552 0.039 5.885 1.00 0.00 C ATOM 0 H ILE A 63 -5.965 2.194 2.810 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.330 1.950 2.919 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.317 -0.348 3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.218 1.578 5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.817 1.673 4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.649 -1.362 4.675 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.016 -1.172 3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.515 -0.041 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.899 0.614 6.743 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.380 -0.540 5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.757 -0.637 6.199 1.00 0.00 H new ATOM 921 N SER A 64 -4.392 -0.172 0.595 1.00 0.00 N ATOM 922 CA SER A 64 -3.976 -0.929 -0.580 1.00 0.00 C ATOM 923 C SER A 64 -3.213 -0.040 -1.557 1.00 0.00 C ATOM 924 O SER A 64 -2.216 -0.458 -2.143 1.00 0.00 O ATOM 925 CB SER A 64 -5.194 -1.542 -1.274 1.00 0.00 C ATOM 926 OG SER A 64 -4.824 -2.172 -2.488 1.00 0.00 O ATOM 0 H SER A 64 -5.384 -0.252 0.819 1.00 0.00 H new ATOM 0 HA SER A 64 -3.313 -1.729 -0.251 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.666 -2.268 -0.613 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.932 -0.765 -1.474 1.00 0.00 H new ATOM 0 HG SER A 64 -5.619 -2.557 -2.912 1.00 0.00 H new ATOM 932 N GLN A 65 -3.691 1.189 -1.726 1.00 0.00 N ATOM 933 CA GLN A 65 -3.055 2.138 -2.633 1.00 0.00 C ATOM 934 C GLN A 65 -1.547 2.179 -2.406 1.00 0.00 C ATOM 935 O GLN A 65 -0.768 2.207 -3.358 1.00 0.00 O ATOM 936 CB GLN A 65 -3.650 3.534 -2.443 1.00 0.00 C ATOM 937 CG GLN A 65 -5.165 3.570 -2.558 1.00 0.00 C ATOM 938 CD GLN A 65 -5.657 3.155 -3.930 1.00 0.00 C ATOM 939 OE1 GLN A 65 -4.863 2.899 -4.836 1.00 0.00 O ATOM 940 NE2 GLN A 65 -6.973 3.085 -4.092 1.00 0.00 N ATOM 0 H GLN A 65 -4.516 1.551 -1.247 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.242 1.808 -3.655 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.359 3.914 -1.464 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.221 4.207 -3.186 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.598 2.910 -1.806 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.518 4.578 -2.339 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.595 3.306 -3.314 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.362 2.810 -4.994 1.00 0.00 H new ATOM 949 N ALA A 66 -1.144 2.185 -1.140 1.00 0.00 N ATOM 950 CA ALA A 66 0.270 2.221 -0.789 1.00 0.00 C ATOM 951 C ALA A 66 0.985 0.958 -1.255 1.00 0.00 C ATOM 952 O ALA A 66 2.151 1.001 -1.647 1.00 0.00 O ATOM 953 CB ALA A 66 0.437 2.401 0.713 1.00 0.00 C ATOM 0 H ALA A 66 -1.777 2.165 -0.340 1.00 0.00 H new ATOM 0 HA ALA A 66 0.723 3.071 -1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.498 2.426 0.961 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.030 3.336 1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.038 1.570 1.234 1.00 0.00 H new ATOM 959 N TYR A 67 0.279 -0.166 -1.210 1.00 0.00 N ATOM 960 CA TYR A 67 0.847 -1.444 -1.625 1.00 0.00 C ATOM 961 C TYR A 67 1.006 -1.502 -3.141 1.00 0.00 C ATOM 962 O TYR A 67 1.448 -2.510 -3.692 1.00 0.00 O ATOM 963 CB TYR A 67 -0.037 -2.598 -1.148 1.00 0.00 C ATOM 964 CG TYR A 67 0.709 -3.902 -0.981 1.00 0.00 C ATOM 965 CD1 TYR A 67 1.809 -3.993 -0.136 1.00 0.00 C ATOM 966 CD2 TYR A 67 0.316 -5.044 -1.668 1.00 0.00 C ATOM 967 CE1 TYR A 67 2.494 -5.182 0.020 1.00 0.00 C ATOM 968 CE2 TYR A 67 0.994 -6.238 -1.518 1.00 0.00 C ATOM 969 CZ TYR A 67 2.082 -6.302 -0.673 1.00 0.00 C ATOM 970 OH TYR A 67 2.761 -7.489 -0.521 1.00 0.00 O ATOM 0 H TYR A 67 -0.688 -0.219 -0.890 1.00 0.00 H new ATOM 0 HA TYR A 67 1.833 -1.540 -1.171 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.494 -2.326 -0.196 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.849 -2.742 -1.861 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.134 -3.118 0.408 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.535 -4.997 -2.331 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.347 -5.235 0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.674 -7.116 -2.059 1.00 0.00 H new ATOM 0 HH TYR A 67 2.343 -8.179 -1.077 1.00 0.00 H new ATOM 980 N VAL A 68 0.643 -0.413 -3.810 1.00 0.00 N ATOM 981 CA VAL A 68 0.746 -0.338 -5.262 1.00 0.00 C ATOM 982 C VAL A 68 2.050 0.328 -5.687 1.00 0.00 C ATOM 983 O VAL A 68 2.936 -0.319 -6.246 1.00 0.00 O ATOM 984 CB VAL A 68 -0.436 0.441 -5.870 1.00 0.00 C ATOM 985 CG1 VAL A 68 -0.435 0.318 -7.386 1.00 0.00 C ATOM 986 CG2 VAL A 68 -1.753 -0.051 -5.287 1.00 0.00 C ATOM 0 H VAL A 68 0.275 0.430 -3.369 1.00 0.00 H new ATOM 0 HA VAL A 68 0.726 -1.363 -5.633 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.323 1.495 -5.616 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.277 0.875 -7.797 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.496 0.723 -7.783 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.523 -0.732 -7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.578 0.510 -5.727 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.876 -1.111 -5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.750 0.096 -4.207 1.00 0.00 H new ATOM 996 N VAL A 69 2.162 1.625 -5.417 1.00 0.00 N ATOM 997 CA VAL A 69 3.359 2.379 -5.770 1.00 0.00 C ATOM 998 C VAL A 69 4.566 1.897 -4.973 1.00 0.00 C ATOM 999 O VAL A 69 5.694 1.906 -5.468 1.00 0.00 O ATOM 1000 CB VAL A 69 3.165 3.887 -5.525 1.00 0.00 C ATOM 1001 CG1 VAL A 69 4.418 4.657 -5.912 1.00 0.00 C ATOM 1002 CG2 VAL A 69 1.955 4.400 -6.292 1.00 0.00 C ATOM 0 H VAL A 69 1.438 2.175 -4.955 1.00 0.00 H new ATOM 0 HA VAL A 69 3.537 2.211 -6.832 1.00 0.00 H new ATOM 0 HB VAL A 69 2.986 4.044 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.262 5.721 -5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.259 4.307 -5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.632 4.496 -6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.833 5.467 -6.107 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.102 4.231 -7.359 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.062 3.870 -5.960 1.00 0.00 H new ATOM 1012 N LEU A 70 4.322 1.475 -3.737 1.00 0.00 N ATOM 1013 CA LEU A 70 5.390 0.988 -2.871 1.00 0.00 C ATOM 1014 C LEU A 70 5.532 -0.527 -2.980 1.00 0.00 C ATOM 1015 O LEU A 70 6.613 -1.076 -2.773 1.00 0.00 O ATOM 1016 CB LEU A 70 5.115 1.383 -1.419 1.00 0.00 C ATOM 1017 CG LEU A 70 4.782 2.855 -1.175 1.00 0.00 C ATOM 1018 CD1 LEU A 70 4.349 3.073 0.267 1.00 0.00 C ATOM 1019 CD2 LEU A 70 5.977 3.735 -1.513 1.00 0.00 C ATOM 0 H LEU A 70 3.395 1.460 -3.312 1.00 0.00 H new ATOM 0 HA LEU A 70 6.325 1.446 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.287 0.778 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.990 1.125 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 70 3.954 3.133 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.116 4.127 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.464 2.471 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.156 2.777 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.722 4.779 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.824 3.455 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.242 3.601 -2.562 1.00 0.00 H new ATOM 1031 N GLY A 71 4.431 -1.197 -3.310 1.00 0.00 N ATOM 1032 CA GLY A 71 4.455 -2.641 -3.443 1.00 0.00 C ATOM 1033 C GLY A 71 5.760 -3.149 -4.023 1.00 0.00 C ATOM 1034 O GLY A 71 6.245 -4.213 -3.639 1.00 0.00 O ATOM 0 H GLY A 71 3.524 -0.765 -3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.294 -3.095 -2.465 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.630 -2.958 -4.081 1.00 0.00 H new ATOM 1038 N SER A 72 6.329 -2.387 -4.951 1.00 0.00 N ATOM 1039 CA SER A 72 7.584 -2.769 -5.590 1.00 0.00 C ATOM 1040 C SER A 72 8.615 -1.650 -5.472 1.00 0.00 C ATOM 1041 O SER A 72 8.276 -0.469 -5.536 1.00 0.00 O ATOM 1042 CB SER A 72 7.349 -3.108 -7.063 1.00 0.00 C ATOM 1043 OG SER A 72 6.464 -4.206 -7.198 1.00 0.00 O ATOM 0 H SER A 72 5.942 -1.502 -5.278 1.00 0.00 H new ATOM 0 HA SER A 72 7.970 -3.651 -5.079 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.938 -2.240 -7.578 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.300 -3.342 -7.542 1.00 0.00 H new ATOM 0 HG SER A 72 6.329 -4.402 -8.149 1.00 0.00 H new ATOM 1049 N ALA A 73 9.876 -2.033 -5.299 1.00 0.00 N ATOM 1050 CA ALA A 73 10.958 -1.064 -5.174 1.00 0.00 C ATOM 1051 C ALA A 73 11.074 -0.206 -6.429 1.00 0.00 C ATOM 1052 O ALA A 73 11.056 1.024 -6.357 1.00 0.00 O ATOM 1053 CB ALA A 73 12.274 -1.776 -4.896 1.00 0.00 C ATOM 0 H ALA A 73 10.173 -3.007 -5.242 1.00 0.00 H new ATOM 0 HA ALA A 73 10.729 -0.406 -4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.073 -1.041 -4.805 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.193 -2.341 -3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.499 -2.457 -5.716 1.00 0.00 H new ATOM 1059 N THR A 74 11.193 -0.861 -7.580 1.00 0.00 N ATOM 1060 CA THR A 74 11.313 -0.157 -8.850 1.00 0.00 C ATOM 1061 C THR A 74 10.366 1.036 -8.911 1.00 0.00 C ATOM 1062 O THR A 74 10.784 2.160 -9.190 1.00 0.00 O ATOM 1063 CB THR A 74 11.021 -1.091 -10.040 1.00 0.00 C ATOM 1064 OG1 THR A 74 11.940 -2.189 -10.038 1.00 0.00 O ATOM 1065 CG2 THR A 74 11.124 -0.338 -11.358 1.00 0.00 C ATOM 0 H THR A 74 11.209 -1.878 -7.658 1.00 0.00 H new ATOM 0 HA THR A 74 12.342 0.196 -8.918 1.00 0.00 H new ATOM 0 HB THR A 74 10.004 -1.469 -9.935 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.747 -2.779 -10.796 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.914 -1.018 -12.183 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.402 0.479 -11.368 1.00 0.00 H new ATOM 0 HG23 THR A 74 12.130 0.066 -11.468 1.00 0.00 H new ATOM 1073 N LEU A 75 9.089 0.784 -8.647 1.00 0.00 N ATOM 1074 CA LEU A 75 8.081 1.838 -8.671 1.00 0.00 C ATOM 1075 C LEU A 75 8.497 3.009 -7.786 1.00 0.00 C ATOM 1076 O LEU A 75 8.459 4.164 -8.210 1.00 0.00 O ATOM 1077 CB LEU A 75 6.730 1.290 -8.208 1.00 0.00 C ATOM 1078 CG LEU A 75 6.101 0.217 -9.097 1.00 0.00 C ATOM 1079 CD1 LEU A 75 4.889 -0.399 -8.415 1.00 0.00 C ATOM 1080 CD2 LEU A 75 5.715 0.802 -10.448 1.00 0.00 C ATOM 0 H LEU A 75 8.727 -0.141 -8.414 1.00 0.00 H new ATOM 0 HA LEU A 75 7.989 2.195 -9.697 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.852 0.878 -7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.031 2.122 -8.128 1.00 0.00 H new ATOM 0 HG LEU A 75 6.838 -0.569 -9.261 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.455 -1.160 -9.063 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.194 -0.855 -7.473 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.148 0.376 -8.220 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.269 0.024 -11.067 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.995 1.608 -10.303 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.604 1.194 -10.942 1.00 0.00 H new ATOM 1092 N ARG A 76 8.895 2.702 -6.556 1.00 0.00 N ATOM 1093 CA ARG A 76 9.319 3.729 -5.612 1.00 0.00 C ATOM 1094 C ARG A 76 10.314 4.687 -6.261 1.00 0.00 C ATOM 1095 O ARG A 76 10.144 5.905 -6.207 1.00 0.00 O ATOM 1096 CB ARG A 76 9.948 3.086 -4.374 1.00 0.00 C ATOM 1097 CG ARG A 76 9.120 1.953 -3.790 1.00 0.00 C ATOM 1098 CD ARG A 76 9.394 1.772 -2.305 1.00 0.00 C ATOM 1099 NE ARG A 76 10.485 0.833 -2.059 1.00 0.00 N ATOM 1100 CZ ARG A 76 11.767 1.178 -2.066 1.00 0.00 C ATOM 1101 NH1 ARG A 76 12.118 2.434 -2.304 1.00 0.00 N ATOM 1102 NH2 ARG A 76 12.702 0.265 -1.834 1.00 0.00 N ATOM 0 H ARG A 76 8.933 1.751 -6.190 1.00 0.00 H new ATOM 0 HA ARG A 76 8.438 4.296 -5.311 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.936 2.706 -4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.092 3.851 -3.611 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.061 2.158 -3.943 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.345 1.027 -4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.640 2.737 -1.862 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.490 1.415 -1.811 1.00 0.00 H new ATOM 0 HE ARG A 76 10.249 -0.141 -1.871 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.402 3.138 -2.482 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.104 2.696 -2.309 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.436 -0.702 -1.650 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.687 0.531 -1.840 1.00 0.00 H new ATOM 1116 N ARG A 77 11.353 4.128 -6.873 1.00 0.00 N ATOM 1117 CA ARG A 77 12.375 4.932 -7.531 1.00 0.00 C ATOM 1118 C ARG A 77 11.792 5.682 -8.726 1.00 0.00 C ATOM 1119 O ARG A 77 12.115 6.847 -8.960 1.00 0.00 O ATOM 1120 CB ARG A 77 13.535 4.046 -7.989 1.00 0.00 C ATOM 1121 CG ARG A 77 14.255 3.347 -6.846 1.00 0.00 C ATOM 1122 CD ARG A 77 14.960 2.086 -7.321 1.00 0.00 C ATOM 1123 NE ARG A 77 16.281 2.373 -7.874 1.00 0.00 N ATOM 1124 CZ ARG A 77 17.253 1.472 -7.961 1.00 0.00 C ATOM 1125 NH1 ARG A 77 17.052 0.233 -7.533 1.00 0.00 N ATOM 1126 NH2 ARG A 77 18.428 1.809 -8.477 1.00 0.00 N ATOM 0 H ARG A 77 11.509 3.121 -6.927 1.00 0.00 H new ATOM 0 HA ARG A 77 12.746 5.662 -6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 77 13.156 3.295 -8.682 1.00 0.00 H new ATOM 0 HB3 ARG A 77 14.251 4.655 -8.540 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.982 4.027 -6.403 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.539 3.093 -6.065 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.059 1.390 -6.488 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.350 1.592 -8.077 1.00 0.00 H new ATOM 0 HE ARG A 77 16.467 3.317 -8.212 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.150 -0.029 -7.136 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.800 -0.458 -7.601 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.586 2.761 -8.807 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.174 1.116 -8.543 1.00 0.00 H new ATOM 1140 N LYS A 78 10.932 5.006 -9.479 1.00 0.00 N ATOM 1141 CA LYS A 78 10.303 5.606 -10.649 1.00 0.00 C ATOM 1142 C LYS A 78 9.678 6.953 -10.300 1.00 0.00 C ATOM 1143 O LYS A 78 9.994 7.973 -10.914 1.00 0.00 O ATOM 1144 CB LYS A 78 9.234 4.669 -11.217 1.00 0.00 C ATOM 1145 CG LYS A 78 9.805 3.506 -12.011 1.00 0.00 C ATOM 1146 CD LYS A 78 8.853 3.059 -13.107 1.00 0.00 C ATOM 1147 CE LYS A 78 9.600 2.411 -14.263 1.00 0.00 C ATOM 1148 NZ LYS A 78 10.653 3.307 -14.816 1.00 0.00 N ATOM 0 H LYS A 78 10.654 4.041 -9.300 1.00 0.00 H new ATOM 0 HA LYS A 78 11.074 5.766 -11.402 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.633 4.278 -10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.564 5.242 -11.858 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.758 3.798 -12.452 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.007 2.671 -11.340 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.131 2.353 -12.698 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.288 3.917 -13.472 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.056 1.481 -13.924 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.894 2.151 -15.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.555 3.361 -15.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.549 4.258 -14.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.592 2.928 -14.577 1.00 0.00 H new ATOM 1162 N TYR A 79 8.792 6.950 -9.311 1.00 0.00 N ATOM 1163 CA TYR A 79 8.122 8.172 -8.881 1.00 0.00 C ATOM 1164 C TYR A 79 9.134 9.281 -8.610 1.00 0.00 C ATOM 1165 O TYR A 79 8.954 10.420 -9.041 1.00 0.00 O ATOM 1166 CB TYR A 79 7.290 7.908 -7.624 1.00 0.00 C ATOM 1167 CG TYR A 79 6.429 9.080 -7.211 1.00 0.00 C ATOM 1168 CD1 TYR A 79 5.467 9.597 -8.069 1.00 0.00 C ATOM 1169 CD2 TYR A 79 6.578 9.670 -5.962 1.00 0.00 C ATOM 1170 CE1 TYR A 79 4.678 10.668 -7.696 1.00 0.00 C ATOM 1171 CE2 TYR A 79 5.793 10.740 -5.580 1.00 0.00 C ATOM 1172 CZ TYR A 79 4.844 11.236 -6.450 1.00 0.00 C ATOM 1173 OH TYR A 79 4.061 12.303 -6.074 1.00 0.00 O ATOM 0 H TYR A 79 8.521 6.115 -8.792 1.00 0.00 H new ATOM 0 HA TYR A 79 7.461 8.496 -9.685 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.651 7.042 -7.796 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.959 7.652 -6.803 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.333 9.154 -9.045 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.320 9.285 -5.278 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.935 11.058 -8.376 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.921 11.186 -4.605 1.00 0.00 H new ATOM 0 HH TYR A 79 4.304 12.583 -5.167 1.00 0.00 H new ATOM 1183 N ASP A 80 10.199 8.939 -7.894 1.00 0.00 N ATOM 1184 CA ASP A 80 11.242 9.904 -7.566 1.00 0.00 C ATOM 1185 C ASP A 80 11.931 10.410 -8.829 1.00 0.00 C ATOM 1186 O ASP A 80 12.486 11.509 -8.848 1.00 0.00 O ATOM 1187 CB ASP A 80 12.271 9.275 -6.625 1.00 0.00 C ATOM 1188 CG ASP A 80 11.887 9.421 -5.166 1.00 0.00 C ATOM 1189 OD1 ASP A 80 12.129 10.504 -4.594 1.00 0.00 O ATOM 1190 OD2 ASP A 80 11.344 8.451 -4.596 1.00 0.00 O ATOM 0 H ASP A 80 10.363 8.001 -7.529 1.00 0.00 H new ATOM 0 HA ASP A 80 10.774 10.752 -7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.380 8.217 -6.865 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.243 9.741 -6.790 1.00 0.00 H new ATOM 1195 N ARG A 81 11.893 9.600 -9.882 1.00 0.00 N ATOM 1196 CA ARG A 81 12.516 9.964 -11.149 1.00 0.00 C ATOM 1197 C ARG A 81 11.470 10.442 -12.152 1.00 0.00 C ATOM 1198 O ARG A 81 11.744 10.550 -13.346 1.00 0.00 O ATOM 1199 CB ARG A 81 13.284 8.773 -11.725 1.00 0.00 C ATOM 1200 CG ARG A 81 14.347 8.224 -10.788 1.00 0.00 C ATOM 1201 CD ARG A 81 15.311 9.311 -10.340 1.00 0.00 C ATOM 1202 NE ARG A 81 16.599 8.762 -9.922 1.00 0.00 N ATOM 1203 CZ ARG A 81 17.502 9.451 -9.233 1.00 0.00 C ATOM 1204 NH1 ARG A 81 17.258 10.707 -8.885 1.00 0.00 N ATOM 1205 NH2 ARG A 81 18.650 8.882 -8.889 1.00 0.00 N ATOM 0 H ARG A 81 11.437 8.687 -9.883 1.00 0.00 H new ATOM 0 HA ARG A 81 13.213 10.780 -10.961 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.578 7.978 -11.966 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.756 9.074 -12.660 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.869 7.778 -9.916 1.00 0.00 H new ATOM 0 HG3 ARG A 81 14.900 7.430 -11.289 1.00 0.00 H new ATOM 0 HD2 ARG A 81 15.465 10.017 -11.156 1.00 0.00 H new ATOM 0 HD3 ARG A 81 14.870 9.869 -9.514 1.00 0.00 H new ATOM 0 HE ARG A 81 16.817 7.798 -10.173 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.375 11.146 -9.146 1.00 0.00 H new ATOM 0 HH12 ARG A 81 17.953 11.234 -8.356 1.00 0.00 H new ATOM 0 HH21 ARG A 81 18.839 7.915 -9.154 1.00 0.00 H new ATOM 0 HH22 ARG A 81 19.343 9.411 -8.360 1.00 0.00 H new ATOM 1219 N GLY A 82 10.269 10.726 -11.657 1.00 0.00 N ATOM 1220 CA GLY A 82 9.199 11.187 -12.523 1.00 0.00 C ATOM 1221 C GLY A 82 8.853 10.182 -13.603 1.00 0.00 C ATOM 1222 O GLY A 82 8.129 10.498 -14.547 1.00 0.00 O ATOM 0 H GLY A 82 10.018 10.645 -10.672 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.312 11.390 -11.923 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.492 12.128 -12.988 1.00 0.00 H new ATOM 1226 N LEU A 83 9.373 8.967 -13.466 1.00 0.00 N ATOM 1227 CA LEU A 83 9.116 7.911 -14.440 1.00 0.00 C ATOM 1228 C LEU A 83 7.717 7.332 -14.258 1.00 0.00 C ATOM 1229 O LEU A 83 7.152 6.743 -15.182 1.00 0.00 O ATOM 1230 CB LEU A 83 10.161 6.802 -14.306 1.00 0.00 C ATOM 1231 CG LEU A 83 11.621 7.235 -14.440 1.00 0.00 C ATOM 1232 CD1 LEU A 83 12.551 6.139 -13.944 1.00 0.00 C ATOM 1233 CD2 LEU A 83 11.940 7.596 -15.883 1.00 0.00 C ATOM 0 H LEU A 83 9.975 8.689 -12.691 1.00 0.00 H new ATOM 0 HA LEU A 83 9.182 8.346 -15.437 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.032 6.325 -13.335 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.957 6.045 -15.063 1.00 0.00 H new ATOM 0 HG LEU A 83 11.775 8.120 -13.823 1.00 0.00 H new ATOM 0 HD11 LEU A 83 13.586 6.466 -14.047 1.00 0.00 H new ATOM 0 HD12 LEU A 83 12.340 5.929 -12.895 1.00 0.00 H new ATOM 0 HD13 LEU A 83 12.395 5.235 -14.533 1.00 0.00 H new ATOM 0 HD21 LEU A 83 12.983 7.902 -15.959 1.00 0.00 H new ATOM 0 HD22 LEU A 83 11.768 6.729 -16.521 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.297 8.416 -16.204 1.00 0.00 H new ATOM 1245 N LEU A 84 7.161 7.503 -13.064 1.00 0.00 N ATOM 1246 CA LEU A 84 5.826 7.000 -12.762 1.00 0.00 C ATOM 1247 C LEU A 84 4.756 7.870 -13.412 1.00 0.00 C ATOM 1248 O LEU A 84 4.741 9.088 -13.237 1.00 0.00 O ATOM 1249 CB LEU A 84 5.609 6.950 -11.248 1.00 0.00 C ATOM 1250 CG LEU A 84 4.304 6.307 -10.778 1.00 0.00 C ATOM 1251 CD1 LEU A 84 4.492 4.813 -10.563 1.00 0.00 C ATOM 1252 CD2 LEU A 84 3.810 6.973 -9.502 1.00 0.00 C ATOM 0 H LEU A 84 7.614 7.987 -12.289 1.00 0.00 H new ATOM 0 HA LEU A 84 5.744 5.992 -13.168 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.441 6.406 -10.800 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.649 7.968 -10.862 1.00 0.00 H new ATOM 0 HG LEU A 84 3.551 6.450 -11.553 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.553 4.372 -10.229 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.799 4.346 -11.499 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.260 4.648 -9.807 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.880 6.502 -9.182 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.561 6.862 -8.720 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.635 8.032 -9.689 1.00 0.00 H new ATOM 1264 N SER A 85 3.859 7.236 -14.161 1.00 0.00 N ATOM 1265 CA SER A 85 2.785 7.952 -14.839 1.00 0.00 C ATOM 1266 C SER A 85 1.428 7.578 -14.253 1.00 0.00 C ATOM 1267 O SER A 85 1.255 6.490 -13.702 1.00 0.00 O ATOM 1268 CB SER A 85 2.808 7.648 -16.338 1.00 0.00 C ATOM 1269 OG SER A 85 3.646 8.557 -17.031 1.00 0.00 O ATOM 0 H SER A 85 3.855 6.227 -14.313 1.00 0.00 H new ATOM 0 HA SER A 85 2.943 9.020 -14.690 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.159 6.629 -16.500 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.796 7.704 -16.739 1.00 0.00 H new ATOM 0 HG SER A 85 3.645 8.340 -17.987 1.00 0.00 H new ATOM 1275 N ASP A 86 0.467 8.487 -14.375 1.00 0.00 N ATOM 1276 CA ASP A 86 -0.877 8.253 -13.858 1.00 0.00 C ATOM 1277 C ASP A 86 -1.367 6.857 -14.231 1.00 0.00 C ATOM 1278 O ASP A 86 -2.143 6.246 -13.497 1.00 0.00 O ATOM 1279 CB ASP A 86 -1.845 9.307 -14.398 1.00 0.00 C ATOM 1280 CG ASP A 86 -1.717 10.634 -13.676 1.00 0.00 C ATOM 1281 OD1 ASP A 86 -2.295 10.770 -12.577 1.00 0.00 O ATOM 1282 OD2 ASP A 86 -1.038 11.536 -14.209 1.00 0.00 O ATOM 0 H ASP A 86 0.593 9.393 -14.827 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.840 8.328 -12.771 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.659 9.456 -15.462 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.867 8.941 -14.301 1.00 0.00 H new ATOM 1287 N GLU A 87 -0.909 6.360 -15.375 1.00 0.00 N ATOM 1288 CA GLU A 87 -1.303 5.037 -15.845 1.00 0.00 C ATOM 1289 C GLU A 87 -1.156 4.000 -14.735 1.00 0.00 C ATOM 1290 O GLU A 87 -2.021 3.142 -14.554 1.00 0.00 O ATOM 1291 CB GLU A 87 -0.459 4.629 -17.055 1.00 0.00 C ATOM 1292 CG GLU A 87 -1.074 3.506 -17.874 1.00 0.00 C ATOM 1293 CD GLU A 87 -0.646 2.133 -17.396 1.00 0.00 C ATOM 1294 OE1 GLU A 87 -0.962 1.782 -16.240 1.00 0.00 O ATOM 1295 OE2 GLU A 87 0.004 1.408 -18.178 1.00 0.00 O ATOM 0 H GLU A 87 -0.265 6.853 -15.994 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.351 5.081 -16.141 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.314 5.498 -17.696 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.528 4.319 -16.711 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.160 3.580 -17.827 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.791 3.627 -18.920 1.00 0.00 H new ATOM 1302 N ASP A 88 -0.055 4.084 -13.996 1.00 0.00 N ATOM 1303 CA ASP A 88 0.206 3.154 -12.904 1.00 0.00 C ATOM 1304 C ASP A 88 -0.855 3.284 -11.815 1.00 0.00 C ATOM 1305 O ASP A 88 -1.534 2.314 -11.476 1.00 0.00 O ATOM 1306 CB ASP A 88 1.594 3.404 -12.313 1.00 0.00 C ATOM 1307 CG ASP A 88 2.217 2.145 -11.745 1.00 0.00 C ATOM 1308 OD1 ASP A 88 2.576 1.250 -12.539 1.00 0.00 O ATOM 1309 OD2 ASP A 88 2.345 2.053 -10.506 1.00 0.00 O ATOM 0 H ASP A 88 0.671 4.787 -14.134 1.00 0.00 H new ATOM 0 HA ASP A 88 0.168 2.141 -13.305 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.246 3.812 -13.085 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.521 4.156 -11.527 1.00 0.00 H new ATOM 1314 N LEU A 89 -0.991 4.487 -11.269 1.00 0.00 N ATOM 1315 CA LEU A 89 -1.968 4.744 -10.217 1.00 0.00 C ATOM 1316 C LEU A 89 -3.267 3.991 -10.485 1.00 0.00 C ATOM 1317 O LEU A 89 -3.692 3.161 -9.681 1.00 0.00 O ATOM 1318 CB LEU A 89 -2.247 6.244 -10.108 1.00 0.00 C ATOM 1319 CG LEU A 89 -1.045 7.128 -9.773 1.00 0.00 C ATOM 1320 CD1 LEU A 89 -1.399 8.597 -9.945 1.00 0.00 C ATOM 1321 CD2 LEU A 89 -0.562 6.857 -8.356 1.00 0.00 C ATOM 0 H LEU A 89 -0.437 5.300 -11.537 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.552 4.389 -9.274 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.670 6.584 -11.053 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.009 6.397 -9.344 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.237 6.886 -10.463 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.532 9.211 -9.702 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.697 8.781 -10.977 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.223 8.853 -9.279 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.294 7.495 -8.135 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.365 7.070 -7.651 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.268 5.811 -8.266 1.00 0.00 H new ATOM 1333 N ARG A 90 -3.892 4.286 -11.620 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.142 3.636 -11.994 1.00 0.00 C ATOM 1335 C ARG A 90 -4.903 2.181 -12.385 1.00 0.00 C ATOM 1336 O ARG A 90 -5.790 1.338 -12.257 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.803 4.384 -13.153 1.00 0.00 C ATOM 1338 CG ARG A 90 -4.931 4.479 -14.394 1.00 0.00 C ATOM 1339 CD ARG A 90 -5.764 4.712 -15.645 1.00 0.00 C ATOM 1340 NE ARG A 90 -5.965 6.133 -15.912 1.00 0.00 N ATOM 1341 CZ ARG A 90 -6.957 6.608 -16.656 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -7.835 5.779 -17.203 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -7.074 7.915 -16.854 1.00 0.00 N ATOM 0 H ARG A 90 -3.553 4.971 -12.296 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.806 3.658 -11.130 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.736 3.883 -13.412 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.062 5.390 -12.824 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.215 5.293 -14.276 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.354 3.561 -14.506 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.271 4.249 -16.500 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.732 4.224 -15.532 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.307 6.798 -15.505 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.749 4.774 -17.053 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.596 6.146 -17.774 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.401 8.557 -16.434 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.837 8.278 -17.426 1.00 0.00 H new ATOM 1357 N GLY A 91 -3.696 1.892 -12.864 1.00 0.00 N ATOM 1358 CA GLY A 91 -3.362 0.539 -13.267 1.00 0.00 C ATOM 1359 C GLY A 91 -4.544 -0.196 -13.868 1.00 0.00 C ATOM 1360 O GLY A 91 -5.235 -0.960 -13.194 1.00 0.00 O ATOM 0 H GLY A 91 -2.944 2.571 -12.980 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.550 0.570 -13.993 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.996 -0.014 -12.402 1.00 0.00 H new ATOM 1364 N PRO A 92 -4.791 0.035 -15.166 1.00 0.00 N ATOM 1365 CA PRO A 92 -5.898 -0.601 -15.886 1.00 0.00 C ATOM 1366 C PRO A 92 -5.674 -2.095 -16.093 1.00 0.00 C ATOM 1367 O PRO A 92 -6.607 -2.836 -16.398 1.00 0.00 O ATOM 1368 CB PRO A 92 -5.913 0.129 -17.231 1.00 0.00 C ATOM 1369 CG PRO A 92 -4.517 0.619 -17.411 1.00 0.00 C ATOM 1370 CD PRO A 92 -4.008 0.933 -16.031 1.00 0.00 C ATOM 0 HA PRO A 92 -6.836 -0.529 -15.336 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.206 -0.539 -18.041 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -6.625 0.954 -17.226 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.897 -0.137 -17.893 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.493 1.504 -18.047 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -2.938 0.743 -15.944 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.167 1.980 -15.772 1.00 0.00 H new ATOM 1378 N GLY A 93 -4.429 -2.531 -15.924 1.00 0.00 N ATOM 1379 CA GLY A 93 -4.105 -3.935 -16.097 1.00 0.00 C ATOM 1380 C GLY A 93 -2.731 -4.143 -16.702 1.00 0.00 C ATOM 1381 O GLY A 93 -2.608 -4.577 -17.847 1.00 0.00 O ATOM 0 H GLY A 93 -3.639 -1.937 -15.670 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.153 -4.437 -15.131 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.854 -4.401 -16.736 1.00 0.00 H new ATOM 1385 N SER A 94 -1.693 -3.831 -15.931 1.00 0.00 N ATOM 1386 CA SER A 94 -0.321 -3.980 -16.400 1.00 0.00 C ATOM 1387 C SER A 94 -0.141 -5.302 -17.141 1.00 0.00 C ATOM 1388 O SER A 94 -0.296 -6.377 -16.564 1.00 0.00 O ATOM 1389 CB SER A 94 0.654 -3.906 -15.223 1.00 0.00 C ATOM 1390 OG SER A 94 0.418 -4.955 -14.299 1.00 0.00 O ATOM 0 H SER A 94 -1.777 -3.474 -14.979 1.00 0.00 H new ATOM 0 HA SER A 94 -0.109 -3.164 -17.091 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.678 -3.965 -15.591 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.550 -2.944 -14.721 1.00 0.00 H new ATOM 0 HG SER A 94 0.030 -5.723 -14.768 1.00 0.00 H new ATOM 1396 N GLY A 95 0.188 -5.212 -18.427 1.00 0.00 N ATOM 1397 CA GLY A 95 0.384 -6.407 -19.227 1.00 0.00 C ATOM 1398 C GLY A 95 -0.596 -6.499 -20.380 1.00 0.00 C ATOM 1399 O GLY A 95 -1.162 -5.499 -20.823 1.00 0.00 O ATOM 0 H GLY A 95 0.322 -4.334 -18.928 1.00 0.00 H new ATOM 0 HA2 GLY A 95 1.402 -6.416 -19.617 1.00 0.00 H new ATOM 0 HA3 GLY A 95 0.278 -7.287 -18.593 1.00 0.00 H new ATOM 1403 N PRO A 96 -0.806 -7.722 -20.887 1.00 0.00 N ATOM 1404 CA PRO A 96 -1.723 -7.970 -22.003 1.00 0.00 C ATOM 1405 C PRO A 96 -3.183 -7.776 -21.608 1.00 0.00 C ATOM 1406 O PRO A 96 -3.537 -7.877 -20.434 1.00 0.00 O ATOM 1407 CB PRO A 96 -1.457 -9.434 -22.363 1.00 0.00 C ATOM 1408 CG PRO A 96 -0.937 -10.044 -21.108 1.00 0.00 C ATOM 1409 CD PRO A 96 -0.165 -8.959 -20.409 1.00 0.00 C ATOM 0 HA PRO A 96 -1.557 -7.277 -22.828 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.368 -9.931 -22.697 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.733 -9.517 -23.173 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.753 -10.407 -20.483 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.298 -10.900 -21.326 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.231 -9.053 -19.325 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.894 -8.989 -20.667 1.00 0.00 H new ATOM 1417 N SER A 97 -4.027 -7.498 -22.597 1.00 0.00 N ATOM 1418 CA SER A 97 -5.449 -7.287 -22.351 1.00 0.00 C ATOM 1419 C SER A 97 -6.295 -8.170 -23.263 1.00 0.00 C ATOM 1420 O SER A 97 -5.792 -8.749 -24.226 1.00 0.00 O ATOM 1421 CB SER A 97 -5.812 -5.816 -22.567 1.00 0.00 C ATOM 1422 OG SER A 97 -5.904 -5.511 -23.948 1.00 0.00 O ATOM 0 H SER A 97 -3.751 -7.414 -23.575 1.00 0.00 H new ATOM 0 HA SER A 97 -5.658 -7.558 -21.316 1.00 0.00 H new ATOM 0 HB2 SER A 97 -6.762 -5.597 -22.079 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.060 -5.180 -22.100 1.00 0.00 H new ATOM 0 HG SER A 97 -6.139 -4.566 -24.059 1.00 0.00 H new ATOM 1428 N SER A 98 -7.583 -8.269 -22.951 1.00 0.00 N ATOM 1429 CA SER A 98 -8.500 -9.085 -23.739 1.00 0.00 C ATOM 1430 C SER A 98 -9.947 -8.821 -23.335 1.00 0.00 C ATOM 1431 O SER A 98 -10.230 -8.472 -22.189 1.00 0.00 O ATOM 1432 CB SER A 98 -8.173 -10.569 -23.565 1.00 0.00 C ATOM 1433 OG SER A 98 -8.333 -10.972 -22.216 1.00 0.00 O ATOM 0 H SER A 98 -8.015 -7.795 -22.158 1.00 0.00 H new ATOM 0 HA SER A 98 -8.379 -8.814 -24.788 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.823 -11.165 -24.205 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.149 -10.759 -23.885 1.00 0.00 H new ATOM 0 HG SER A 98 -8.120 -11.925 -22.132 1.00 0.00 H new ATOM 1439 N GLY A 99 -10.861 -8.989 -24.286 1.00 0.00 N ATOM 1440 CA GLY A 99 -12.268 -8.765 -24.010 1.00 0.00 C ATOM 1441 C GLY A 99 -13.158 -9.817 -24.642 1.00 0.00 C ATOM 1442 O GLY A 99 -14.378 -9.783 -24.486 1.00 0.00 O ATOM 0 H GLY A 99 -10.652 -9.276 -25.242 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.427 -8.759 -22.932 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.555 -7.781 -24.380 1.00 0.00 H new TER 1446 GLY A 99