USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 639 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 80 SER OG : rot -62:sc= 0.143 USER MOD Set 1.2: A 87 SER OG : rot 140:sc= 0.726 USER MOD Set 2.1: A 36 THR OG1 : rot -100:sc= 1.1 USER MOD Set 2.2: A 37 HIS : no HD1:sc= -3.02! C(o=-1.9!,f=-12!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -160:sc= -0.205 USER MOD Single : A 26 HIS : no HD1:sc= -3.59! C(o=-3.6!,f=-7.4!) USER MOD Single : A 28 THR OG1 : rot 33:sc= 0.349 USER MOD Single : A 30 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.9!) USER MOD Single : A 32 SER OG : rot 83:sc= 0.0922 USER MOD Single : A 38 TYR OH : rot 60:sc= 1 USER MOD Single : A 42 CYS SG : rot -164:sc= -2.12! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.728 X(o=-0.73,f=-1) USER MOD Single : A 96 THR OG1 : rot 164:sc= 0.417 USER MOD Single : A 98 THR OG1 : rot 43:sc= 0.876 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 9 6.661 -17.927 -0.203 1.00 0.00 N ATOM 81 CA LEU A 9 6.543 -16.496 -0.460 1.00 0.00 C ATOM 82 C LEU A 9 5.698 -15.818 0.613 1.00 0.00 C ATOM 83 O LEU A 9 4.498 -15.599 0.446 1.00 0.00 O ATOM 84 CB LEU A 9 5.928 -16.255 -1.840 1.00 0.00 C ATOM 85 CG LEU A 9 6.085 -14.844 -2.407 1.00 0.00 C ATOM 86 CD1 LEU A 9 7.553 -14.522 -2.638 1.00 0.00 C ATOM 87 CD2 LEU A 9 5.295 -14.698 -3.700 1.00 0.00 C ATOM 0 HA LEU A 9 7.543 -16.063 -0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.374 -16.959 -2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.864 -16.488 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 9 5.689 -14.135 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.645 -13.514 -3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.092 -14.585 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.975 -15.236 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.418 -13.687 -4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.661 -15.417 -4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.239 -14.885 -3.504 1.00 0.00 H new ATOM 99 N PRO A 10 6.336 -15.475 1.741 1.00 0.00 N ATOM 100 CA PRO A 10 5.663 -14.814 2.863 1.00 0.00 C ATOM 101 C PRO A 10 5.265 -13.378 2.535 1.00 0.00 C ATOM 102 O PRO A 10 6.084 -12.563 2.111 1.00 0.00 O ATOM 103 CB PRO A 10 6.716 -14.837 3.973 1.00 0.00 C ATOM 104 CG PRO A 10 8.020 -14.905 3.256 1.00 0.00 C ATOM 105 CD PRO A 10 7.766 -15.705 2.009 1.00 0.00 C ATOM 0 HA PRO A 10 4.732 -15.313 3.131 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.653 -13.945 4.597 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.580 -15.696 4.630 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.384 -13.907 3.012 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.782 -15.379 3.875 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.389 -15.367 1.181 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.982 -16.763 2.159 1.00 0.00 H new ATOM 113 N PRO A 11 3.978 -13.059 2.737 1.00 0.00 N ATOM 114 CA PRO A 11 3.443 -11.721 2.470 1.00 0.00 C ATOM 115 C PRO A 11 3.957 -10.683 3.462 1.00 0.00 C ATOM 116 O PRO A 11 4.583 -11.009 4.471 1.00 0.00 O ATOM 117 CB PRO A 11 1.932 -11.905 2.625 1.00 0.00 C ATOM 118 CG PRO A 11 1.784 -13.073 3.539 1.00 0.00 C ATOM 119 CD PRO A 11 2.946 -13.980 3.241 1.00 0.00 C ATOM 0 HA PRO A 11 3.743 -11.351 1.490 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.466 -11.013 3.044 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.455 -12.092 1.663 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.793 -12.756 4.582 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.836 -13.584 3.369 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.281 -14.510 4.133 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.686 -14.736 2.500 1.00 0.00 H new ATOM 127 N PRO A 12 3.689 -9.401 3.171 1.00 0.00 N ATOM 128 CA PRO A 12 4.115 -8.289 4.026 1.00 0.00 C ATOM 129 C PRO A 12 3.356 -8.250 5.348 1.00 0.00 C ATOM 130 O PRO A 12 2.125 -8.236 5.367 1.00 0.00 O ATOM 131 CB PRO A 12 3.791 -7.051 3.186 1.00 0.00 C ATOM 132 CG PRO A 12 2.692 -7.486 2.279 1.00 0.00 C ATOM 133 CD PRO A 12 2.949 -8.939 1.985 1.00 0.00 C ATOM 0 HA PRO A 12 5.166 -8.369 4.305 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.479 -6.217 3.814 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.661 -6.717 2.621 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.719 -7.349 2.751 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.687 -6.897 1.362 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.020 -9.492 1.851 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.531 -9.068 1.073 1.00 0.00 H new ATOM 141 N ARG A 13 4.097 -8.233 6.451 1.00 0.00 N ATOM 142 CA ARG A 13 3.493 -8.196 7.777 1.00 0.00 C ATOM 143 C ARG A 13 3.819 -6.886 8.487 1.00 0.00 C ATOM 144 O ARG A 13 2.992 -6.343 9.220 1.00 0.00 O ATOM 145 CB ARG A 13 3.982 -9.378 8.616 1.00 0.00 C ATOM 146 CG ARG A 13 5.386 -9.838 8.261 1.00 0.00 C ATOM 147 CD ARG A 13 5.885 -10.902 9.226 1.00 0.00 C ATOM 148 NE ARG A 13 7.342 -11.002 9.225 1.00 0.00 N ATOM 149 CZ ARG A 13 8.016 -11.931 9.894 1.00 0.00 C ATOM 150 NH1 ARG A 13 7.366 -12.836 10.613 1.00 0.00 N ATOM 151 NH2 ARG A 13 9.341 -11.957 9.844 1.00 0.00 N ATOM 0 H ARG A 13 5.117 -8.244 6.452 1.00 0.00 H new ATOM 0 HA ARG A 13 2.412 -8.265 7.658 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.956 -9.100 9.670 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.292 -10.213 8.489 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.394 -10.234 7.245 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.064 -8.985 8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.538 -10.669 10.233 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.455 -11.867 8.956 1.00 0.00 H new ATOM 0 HE ARG A 13 7.871 -10.321 8.681 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.347 -12.820 10.653 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.885 -13.549 11.126 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.844 -11.263 9.291 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.857 -12.671 10.358 1.00 0.00 H new ATOM 165 N ALA A 14 5.029 -6.383 8.264 1.00 0.00 N ATOM 166 CA ALA A 14 5.463 -5.136 8.881 1.00 0.00 C ATOM 167 C ALA A 14 4.961 -3.930 8.094 1.00 0.00 C ATOM 168 O ALA A 14 5.751 -3.111 7.622 1.00 0.00 O ATOM 169 CB ALA A 14 6.980 -5.102 8.991 1.00 0.00 C ATOM 0 H ALA A 14 5.726 -6.820 7.661 1.00 0.00 H new ATOM 0 HA ALA A 14 5.035 -5.087 9.882 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.290 -4.165 9.454 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.319 -5.938 9.602 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.419 -5.178 7.996 1.00 0.00 H new ATOM 175 N LEU A 15 3.644 -3.827 7.955 1.00 0.00 N ATOM 176 CA LEU A 15 3.036 -2.721 7.224 1.00 0.00 C ATOM 177 C LEU A 15 2.916 -1.484 8.108 1.00 0.00 C ATOM 178 O LEU A 15 2.154 -1.469 9.075 1.00 0.00 O ATOM 179 CB LEU A 15 1.655 -3.125 6.704 1.00 0.00 C ATOM 180 CG LEU A 15 1.626 -3.796 5.330 1.00 0.00 C ATOM 181 CD1 LEU A 15 1.889 -5.288 5.459 1.00 0.00 C ATOM 182 CD2 LEU A 15 0.291 -3.546 4.643 1.00 0.00 C ATOM 0 H LEU A 15 2.977 -4.496 8.339 1.00 0.00 H new ATOM 0 HA LEU A 15 3.680 -2.480 6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.200 -3.802 7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.029 -2.234 6.664 1.00 0.00 H new ATOM 0 HG LEU A 15 2.415 -3.360 4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.864 -5.749 4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.869 -5.447 5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.123 -5.739 6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.288 -4.031 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.514 -3.954 5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.142 -2.474 4.516 1.00 0.00 H new ATOM 194 N THR A 16 3.674 -0.445 7.770 1.00 0.00 N ATOM 195 CA THR A 16 3.652 0.797 8.532 1.00 0.00 C ATOM 196 C THR A 16 3.713 2.009 7.609 1.00 0.00 C ATOM 197 O THR A 16 4.431 2.006 6.609 1.00 0.00 O ATOM 198 CB THR A 16 4.825 0.866 9.528 1.00 0.00 C ATOM 199 OG1 THR A 16 4.891 -0.344 10.291 1.00 0.00 O ATOM 200 CG2 THR A 16 4.671 2.054 10.464 1.00 0.00 C ATOM 0 H THR A 16 4.311 -0.440 6.973 1.00 0.00 H new ATOM 0 HA THR A 16 2.713 0.811 9.086 1.00 0.00 H new ATOM 0 HB THR A 16 5.748 0.988 8.961 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.640 -0.293 10.921 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.511 2.082 11.158 1.00 0.00 H new ATOM 0 HG22 THR A 16 4.651 2.975 9.882 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.741 1.958 11.024 1.00 0.00 H new ATOM 208 N LEU A 17 2.955 3.045 7.951 1.00 0.00 N ATOM 209 CA LEU A 17 2.923 4.266 7.153 1.00 0.00 C ATOM 210 C LEU A 17 4.146 5.133 7.435 1.00 0.00 C ATOM 211 O LEU A 17 4.247 5.757 8.491 1.00 0.00 O ATOM 212 CB LEU A 17 1.646 5.056 7.445 1.00 0.00 C ATOM 213 CG LEU A 17 1.208 6.047 6.366 1.00 0.00 C ATOM 214 CD1 LEU A 17 0.591 5.313 5.186 1.00 0.00 C ATOM 215 CD2 LEU A 17 0.227 7.060 6.938 1.00 0.00 C ATOM 0 H LEU A 17 2.354 3.064 8.775 1.00 0.00 H new ATOM 0 HA LEU A 17 2.936 3.983 6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.834 4.348 7.610 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.786 5.603 8.377 1.00 0.00 H new ATOM 0 HG LEU A 17 2.089 6.583 6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.285 6.034 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.324 4.628 4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.279 4.750 5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.074 7.757 6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.652 6.540 7.318 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.703 7.609 7.750 1.00 0.00 H new ATOM 227 N ALA A 18 5.071 5.169 6.482 1.00 0.00 N ATOM 228 CA ALA A 18 6.285 5.962 6.626 1.00 0.00 C ATOM 229 C ALA A 18 5.956 7.425 6.904 1.00 0.00 C ATOM 230 O ALA A 18 6.478 8.020 7.846 1.00 0.00 O ATOM 231 CB ALA A 18 7.146 5.842 5.376 1.00 0.00 C ATOM 0 H ALA A 18 5.003 4.658 5.602 1.00 0.00 H new ATOM 0 HA ALA A 18 6.843 5.574 7.478 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.049 6.440 5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.419 4.798 5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.586 6.202 4.513 1.00 0.00 H new ATOM 237 N ALA A 19 5.086 7.998 6.078 1.00 0.00 N ATOM 238 CA ALA A 19 4.686 9.391 6.236 1.00 0.00 C ATOM 239 C ALA A 19 3.204 9.575 5.928 1.00 0.00 C ATOM 240 O ALA A 19 2.622 8.814 5.154 1.00 0.00 O ATOM 241 CB ALA A 19 5.529 10.287 5.341 1.00 0.00 C ATOM 0 H ALA A 19 4.645 7.519 5.293 1.00 0.00 H new ATOM 0 HA ALA A 19 4.852 9.675 7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.219 11.324 5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.580 10.186 5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.392 9.994 4.300 1.00 0.00 H new ATOM 247 N VAL A 20 2.599 10.589 6.538 1.00 0.00 N ATOM 248 CA VAL A 20 1.184 10.873 6.327 1.00 0.00 C ATOM 249 C VAL A 20 0.981 12.286 5.793 1.00 0.00 C ATOM 250 O VAL A 20 1.081 13.263 6.535 1.00 0.00 O ATOM 251 CB VAL A 20 0.379 10.707 7.630 1.00 0.00 C ATOM 252 CG1 VAL A 20 0.942 11.603 8.723 1.00 0.00 C ATOM 253 CG2 VAL A 20 -1.092 11.008 7.388 1.00 0.00 C ATOM 0 H VAL A 20 3.066 11.227 7.182 1.00 0.00 H new ATOM 0 HA VAL A 20 0.822 10.155 5.591 1.00 0.00 H new ATOM 0 HB VAL A 20 0.465 9.672 7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.361 11.472 9.636 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.981 11.336 8.913 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.888 12.644 8.404 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.646 10.886 8.319 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.200 12.033 7.033 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.485 10.321 6.639 1.00 0.00 H new ATOM 263 N THR A 21 0.694 12.388 4.499 1.00 0.00 N ATOM 264 CA THR A 21 0.477 13.681 3.864 1.00 0.00 C ATOM 265 C THR A 21 -0.937 13.789 3.305 1.00 0.00 C ATOM 266 O THR A 21 -1.464 12.855 2.700 1.00 0.00 O ATOM 267 CB THR A 21 1.486 13.925 2.726 1.00 0.00 C ATOM 268 OG1 THR A 21 2.714 13.244 3.006 1.00 0.00 O ATOM 269 CG2 THR A 21 1.755 15.412 2.551 1.00 0.00 C ATOM 0 H THR A 21 0.607 11.590 3.870 1.00 0.00 H new ATOM 0 HA THR A 21 0.619 14.439 4.635 1.00 0.00 H new ATOM 0 HB THR A 21 1.058 13.537 1.802 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.350 13.403 2.277 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.470 15.560 1.742 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.824 15.924 2.310 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.164 15.819 3.476 1.00 0.00 H new ATOM 277 N PRO A 22 -1.568 14.955 3.509 1.00 0.00 N ATOM 278 CA PRO A 22 -2.930 15.212 3.032 1.00 0.00 C ATOM 279 C PRO A 22 -3.000 15.329 1.513 1.00 0.00 C ATOM 280 O PRO A 22 -4.064 15.580 0.948 1.00 0.00 O ATOM 281 CB PRO A 22 -3.290 16.548 3.687 1.00 0.00 C ATOM 282 CG PRO A 22 -1.980 17.215 3.930 1.00 0.00 C ATOM 283 CD PRO A 22 -1.001 16.112 4.222 1.00 0.00 C ATOM 0 HA PRO A 22 -3.610 14.399 3.287 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.926 17.149 3.037 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.837 16.398 4.618 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.669 17.792 3.059 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.045 17.910 4.767 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.002 16.356 3.862 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.916 15.923 5.292 1.00 0.00 H new ATOM 291 N ARG A 23 -1.858 15.144 0.857 1.00 0.00 N ATOM 292 CA ARG A 23 -1.790 15.230 -0.597 1.00 0.00 C ATOM 293 C ARG A 23 -1.271 13.925 -1.194 1.00 0.00 C ATOM 294 O ARG A 23 -1.553 13.602 -2.349 1.00 0.00 O ATOM 295 CB ARG A 23 -0.888 16.391 -1.019 1.00 0.00 C ATOM 296 CG ARG A 23 -0.975 17.596 -0.097 1.00 0.00 C ATOM 297 CD ARG A 23 0.214 18.526 -0.281 1.00 0.00 C ATOM 298 NE ARG A 23 0.225 19.602 0.706 1.00 0.00 N ATOM 299 CZ ARG A 23 1.055 20.638 0.653 1.00 0.00 C ATOM 300 NH1 ARG A 23 1.936 20.737 -0.333 1.00 0.00 N ATOM 301 NH2 ARG A 23 1.005 21.578 1.589 1.00 0.00 N ATOM 0 H ARG A 23 -0.968 14.934 1.309 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.797 15.407 -0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.145 16.044 -1.053 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.154 16.698 -2.030 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.898 18.141 -0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.019 17.260 0.939 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.138 17.953 -0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.188 18.954 -1.283 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.440 19.556 1.478 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.978 20.016 -1.054 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.572 21.534 -0.371 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.329 21.505 2.349 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.643 22.373 1.548 1.00 0.00 H new ATOM 315 N THR A 24 -0.510 13.178 -0.400 1.00 0.00 N ATOM 316 CA THR A 24 0.050 11.910 -0.851 1.00 0.00 C ATOM 317 C THR A 24 0.156 10.916 0.300 1.00 0.00 C ATOM 318 O THR A 24 0.180 11.304 1.469 1.00 0.00 O ATOM 319 CB THR A 24 1.444 12.103 -1.478 1.00 0.00 C ATOM 320 OG1 THR A 24 2.449 12.066 -0.459 1.00 0.00 O ATOM 321 CG2 THR A 24 1.522 13.424 -2.227 1.00 0.00 C ATOM 0 H THR A 24 -0.267 13.429 0.558 1.00 0.00 H new ATOM 0 HA THR A 24 -0.629 11.515 -1.607 1.00 0.00 H new ATOM 0 HB THR A 24 1.615 11.292 -2.186 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.267 12.493 -0.790 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.515 13.538 -2.661 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.775 13.437 -3.021 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.331 14.246 -1.537 1.00 0.00 H new ATOM 329 N VAL A 25 0.221 9.632 -0.036 1.00 0.00 N ATOM 330 CA VAL A 25 0.327 8.582 0.970 1.00 0.00 C ATOM 331 C VAL A 25 1.539 7.694 0.712 1.00 0.00 C ATOM 332 O VAL A 25 1.691 7.133 -0.374 1.00 0.00 O ATOM 333 CB VAL A 25 -0.940 7.707 1.002 1.00 0.00 C ATOM 334 CG1 VAL A 25 -0.663 6.393 1.718 1.00 0.00 C ATOM 335 CG2 VAL A 25 -2.086 8.454 1.666 1.00 0.00 C ATOM 0 H VAL A 25 0.202 9.293 -0.998 1.00 0.00 H new ATOM 0 HA VAL A 25 0.442 9.077 1.934 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.231 7.480 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.569 5.788 1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.126 5.853 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.347 6.596 2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.973 7.821 1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.808 8.712 2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.299 9.365 1.107 1.00 0.00 H new ATOM 345 N HIS A 26 2.400 7.570 1.717 1.00 0.00 N ATOM 346 CA HIS A 26 3.599 6.749 1.600 1.00 0.00 C ATOM 347 C HIS A 26 3.555 5.580 2.579 1.00 0.00 C ATOM 348 O HIS A 26 3.456 5.775 3.791 1.00 0.00 O ATOM 349 CB HIS A 26 4.848 7.594 1.853 1.00 0.00 C ATOM 350 CG HIS A 26 6.127 6.824 1.729 1.00 0.00 C ATOM 351 ND1 HIS A 26 7.261 7.127 2.453 1.00 0.00 N ATOM 352 CD2 HIS A 26 6.447 5.756 0.961 1.00 0.00 C ATOM 353 CE1 HIS A 26 8.224 6.280 2.135 1.00 0.00 C ATOM 354 NE2 HIS A 26 7.755 5.438 1.231 1.00 0.00 N ATOM 0 H HIS A 26 2.289 8.028 2.622 1.00 0.00 H new ATOM 0 HA HIS A 26 3.638 6.350 0.586 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.864 8.425 1.148 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.789 8.025 2.852 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.795 5.249 0.266 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.224 6.276 2.544 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.280 4.675 0.803 1.00 0.00 H new ATOM 363 N LEU A 27 3.627 4.365 2.046 1.00 0.00 N ATOM 364 CA LEU A 27 3.594 3.163 2.872 1.00 0.00 C ATOM 365 C LEU A 27 4.869 2.344 2.693 1.00 0.00 C ATOM 366 O LEU A 27 5.458 2.320 1.612 1.00 0.00 O ATOM 367 CB LEU A 27 2.374 2.312 2.521 1.00 0.00 C ATOM 368 CG LEU A 27 1.986 1.240 3.540 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.325 1.873 4.755 1.00 0.00 C ATOM 370 CD2 LEU A 27 1.064 0.209 2.906 1.00 0.00 C ATOM 0 H LEU A 27 3.709 4.186 1.045 1.00 0.00 H new ATOM 0 HA LEU A 27 3.526 3.471 3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.521 2.976 2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.560 1.824 1.564 1.00 0.00 H new ATOM 0 HG LEU A 27 2.893 0.733 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.056 1.095 5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.018 2.572 5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.427 2.407 4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.799 -0.546 3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.159 0.701 2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.573 -0.268 2.068 1.00 0.00 H new ATOM 382 N THR A 28 5.289 1.672 3.761 1.00 0.00 N ATOM 383 CA THR A 28 6.492 0.851 3.722 1.00 0.00 C ATOM 384 C THR A 28 6.284 -0.465 4.463 1.00 0.00 C ATOM 385 O THR A 28 5.855 -0.476 5.617 1.00 0.00 O ATOM 386 CB THR A 28 7.696 1.589 4.336 1.00 0.00 C ATOM 387 OG1 THR A 28 7.450 1.861 5.720 1.00 0.00 O ATOM 388 CG2 THR A 28 7.966 2.892 3.599 1.00 0.00 C ATOM 0 H THR A 28 4.813 1.681 4.663 1.00 0.00 H new ATOM 0 HA THR A 28 6.700 0.644 2.672 1.00 0.00 H new ATOM 0 HB THR A 28 8.573 0.948 4.242 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.907 1.141 6.103 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.821 3.395 4.051 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.182 2.680 2.552 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.089 3.536 3.665 1.00 0.00 H new ATOM 396 N TRP A 29 6.592 -1.570 3.795 1.00 0.00 N ATOM 397 CA TRP A 29 6.439 -2.892 4.392 1.00 0.00 C ATOM 398 C TRP A 29 7.730 -3.694 4.276 1.00 0.00 C ATOM 399 O TRP A 29 8.684 -3.260 3.631 1.00 0.00 O ATOM 400 CB TRP A 29 5.292 -3.648 3.720 1.00 0.00 C ATOM 401 CG TRP A 29 5.412 -3.707 2.228 1.00 0.00 C ATOM 402 CD1 TRP A 29 6.073 -4.652 1.496 1.00 0.00 C ATOM 403 CD2 TRP A 29 4.860 -2.781 1.286 1.00 0.00 C ATOM 404 NE1 TRP A 29 5.964 -4.370 0.155 1.00 0.00 N ATOM 405 CE2 TRP A 29 5.224 -3.227 0.000 1.00 0.00 C ATOM 406 CE3 TRP A 29 4.091 -1.620 1.403 1.00 0.00 C ATOM 407 CZ2 TRP A 29 4.845 -2.551 -1.157 1.00 0.00 C ATOM 408 CZ3 TRP A 29 3.717 -0.950 0.254 1.00 0.00 C ATOM 409 CH2 TRP A 29 4.093 -1.417 -1.012 1.00 0.00 C ATOM 0 H TRP A 29 6.949 -1.577 2.840 1.00 0.00 H new ATOM 0 HA TRP A 29 6.208 -2.761 5.449 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.255 -4.663 4.115 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.348 -3.170 3.983 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.603 -5.497 1.910 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.368 -4.922 -0.602 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.794 -1.253 2.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.134 -2.909 -2.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 3.124 -0.051 0.333 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.783 -0.871 -1.891 1.00 0.00 H new ATOM 420 N GLN A 30 7.752 -4.866 4.904 1.00 0.00 N ATOM 421 CA GLN A 30 8.928 -5.728 4.870 1.00 0.00 C ATOM 422 C GLN A 30 9.062 -6.412 3.514 1.00 0.00 C ATOM 423 O GLN A 30 8.077 -6.804 2.888 1.00 0.00 O ATOM 424 CB GLN A 30 8.848 -6.778 5.979 1.00 0.00 C ATOM 425 CG GLN A 30 9.425 -6.309 7.305 1.00 0.00 C ATOM 426 CD GLN A 30 10.930 -6.471 7.376 1.00 0.00 C ATOM 427 OE1 GLN A 30 11.680 -5.671 6.815 1.00 0.00 O ATOM 428 NE2 GLN A 30 11.382 -7.510 8.068 1.00 0.00 N ATOM 0 H GLN A 30 6.970 -5.240 5.442 1.00 0.00 H new ATOM 0 HA GLN A 30 9.809 -5.106 5.031 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.806 -7.060 6.126 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.379 -7.674 5.658 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.169 -5.261 7.458 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.964 -6.872 8.117 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.725 -8.148 8.517 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.386 -7.670 8.151 1.00 0.00 H new ATOM 437 N PRO A 31 10.311 -6.559 3.046 1.00 0.00 N ATOM 438 CA PRO A 31 10.604 -7.197 1.759 1.00 0.00 C ATOM 439 C PRO A 31 10.329 -8.696 1.779 1.00 0.00 C ATOM 440 O PRO A 31 10.607 -9.375 2.767 1.00 0.00 O ATOM 441 CB PRO A 31 12.098 -6.929 1.562 1.00 0.00 C ATOM 442 CG PRO A 31 12.636 -6.754 2.940 1.00 0.00 C ATOM 443 CD PRO A 31 11.533 -6.115 3.738 1.00 0.00 C ATOM 0 HA PRO A 31 9.978 -6.805 0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.585 -7.759 1.049 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.264 -6.038 0.956 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.924 -7.713 3.371 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.527 -6.126 2.934 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.548 -6.442 4.778 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.619 -5.028 3.744 1.00 0.00 H new ATOM 451 N SER A 32 9.783 -9.208 0.680 1.00 0.00 N ATOM 452 CA SER A 32 9.468 -10.628 0.573 1.00 0.00 C ATOM 453 C SER A 32 10.674 -11.415 0.069 1.00 0.00 C ATOM 454 O SER A 32 11.761 -10.865 -0.102 1.00 0.00 O ATOM 455 CB SER A 32 8.278 -10.839 -0.365 1.00 0.00 C ATOM 456 OG SER A 32 7.929 -12.210 -0.445 1.00 0.00 O ATOM 0 H SER A 32 9.550 -8.661 -0.149 1.00 0.00 H new ATOM 0 HA SER A 32 9.207 -10.993 1.566 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.424 -10.263 -0.009 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.523 -10.464 -1.359 1.00 0.00 H new ATOM 0 HG SER A 32 7.362 -12.448 0.318 1.00 0.00 H new ATOM 462 N ALA A 33 10.472 -12.708 -0.166 1.00 0.00 N ATOM 463 CA ALA A 33 11.541 -13.572 -0.652 1.00 0.00 C ATOM 464 C ALA A 33 11.292 -13.993 -2.097 1.00 0.00 C ATOM 465 O ALA A 33 10.162 -14.294 -2.480 1.00 0.00 O ATOM 466 CB ALA A 33 11.677 -14.796 0.241 1.00 0.00 C ATOM 0 H ALA A 33 9.578 -13.180 -0.028 1.00 0.00 H new ATOM 0 HA ALA A 33 12.473 -13.008 -0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.479 -15.432 -0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.909 -14.480 1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.740 -15.354 0.239 1.00 0.00 H new ATOM 472 N GLY A 34 12.355 -14.010 -2.895 1.00 0.00 N ATOM 473 CA GLY A 34 12.230 -14.395 -4.288 1.00 0.00 C ATOM 474 C GLY A 34 11.064 -13.714 -4.976 1.00 0.00 C ATOM 475 O GLY A 34 10.487 -14.256 -5.918 1.00 0.00 O ATOM 0 H GLY A 34 13.300 -13.764 -2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.152 -14.148 -4.814 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.105 -15.476 -4.353 1.00 0.00 H new ATOM 479 N ALA A 35 10.714 -12.522 -4.502 1.00 0.00 N ATOM 480 CA ALA A 35 9.609 -11.766 -5.078 1.00 0.00 C ATOM 481 C ALA A 35 10.090 -10.869 -6.213 1.00 0.00 C ATOM 482 O ALA A 35 10.791 -9.882 -5.984 1.00 0.00 O ATOM 483 CB ALA A 35 8.920 -10.938 -4.003 1.00 0.00 C ATOM 0 H ALA A 35 11.180 -12.060 -3.721 1.00 0.00 H new ATOM 0 HA ALA A 35 8.892 -12.475 -5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.097 -10.378 -4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.533 -11.599 -3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.636 -10.243 -3.564 1.00 0.00 H new ATOM 489 N THR A 36 9.710 -11.217 -7.438 1.00 0.00 N ATOM 490 CA THR A 36 10.104 -10.444 -8.609 1.00 0.00 C ATOM 491 C THR A 36 9.606 -9.007 -8.513 1.00 0.00 C ATOM 492 O THR A 36 10.321 -8.066 -8.860 1.00 0.00 O ATOM 493 CB THR A 36 9.566 -11.076 -9.907 1.00 0.00 C ATOM 494 OG1 THR A 36 9.350 -10.061 -10.893 1.00 0.00 O ATOM 495 CG2 THR A 36 8.266 -11.823 -9.646 1.00 0.00 C ATOM 0 H THR A 36 9.129 -12.030 -7.645 1.00 0.00 H new ATOM 0 HA THR A 36 11.194 -10.447 -8.637 1.00 0.00 H new ATOM 0 HB THR A 36 10.307 -11.786 -10.274 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.398 -9.832 -10.923 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.905 -12.261 -10.577 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.441 -12.614 -8.917 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.520 -11.130 -9.258 1.00 0.00 H new ATOM 503 N HIS A 37 8.375 -8.843 -8.039 1.00 0.00 N ATOM 504 CA HIS A 37 7.781 -7.518 -7.895 1.00 0.00 C ATOM 505 C HIS A 37 6.659 -7.535 -6.862 1.00 0.00 C ATOM 506 O HIS A 37 6.347 -8.578 -6.286 1.00 0.00 O ATOM 507 CB HIS A 37 7.244 -7.029 -9.240 1.00 0.00 C ATOM 508 CG HIS A 37 6.437 -8.056 -9.973 1.00 0.00 C ATOM 509 ND1 HIS A 37 6.986 -8.934 -10.884 1.00 0.00 N ATOM 510 CD2 HIS A 37 5.116 -8.343 -9.924 1.00 0.00 C ATOM 511 CE1 HIS A 37 6.036 -9.717 -11.364 1.00 0.00 C ATOM 512 NE2 HIS A 37 4.891 -9.379 -10.798 1.00 0.00 N ATOM 0 H HIS A 37 7.769 -9.611 -7.748 1.00 0.00 H new ATOM 0 HA HIS A 37 8.557 -6.834 -7.551 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.628 -6.145 -9.076 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.082 -6.723 -9.866 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.376 -7.850 -9.312 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.172 -10.500 -12.095 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.987 -9.816 -10.980 1.00 0.00 H new ATOM 521 N TYR A 38 6.057 -6.374 -6.631 1.00 0.00 N ATOM 522 CA TYR A 38 4.972 -6.254 -5.664 1.00 0.00 C ATOM 523 C TYR A 38 3.791 -5.496 -6.262 1.00 0.00 C ATOM 524 O TYR A 38 3.949 -4.397 -6.795 1.00 0.00 O ATOM 525 CB TYR A 38 5.462 -5.544 -4.401 1.00 0.00 C ATOM 526 CG TYR A 38 6.612 -6.249 -3.718 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.920 -6.060 -4.144 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.389 -7.102 -2.644 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.974 -6.703 -3.523 1.00 0.00 C ATOM 530 CE2 TYR A 38 7.437 -7.747 -2.015 1.00 0.00 C ATOM 531 CZ TYR A 38 8.727 -7.545 -2.459 1.00 0.00 C ATOM 532 OH TYR A 38 9.774 -8.186 -1.837 1.00 0.00 O ATOM 0 H TYR A 38 6.302 -5.502 -7.100 1.00 0.00 H new ATOM 0 HA TYR A 38 4.640 -7.259 -5.402 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.770 -4.531 -4.660 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.633 -5.455 -3.699 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.117 -5.399 -4.975 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.380 -7.264 -2.295 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.985 -6.547 -3.869 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.247 -8.406 -1.180 1.00 0.00 H new ATOM 0 HH TYR A 38 10.397 -7.521 -1.476 1.00 0.00 H new ATOM 542 N LEU A 39 2.606 -6.091 -6.169 1.00 0.00 N ATOM 543 CA LEU A 39 1.396 -5.473 -6.700 1.00 0.00 C ATOM 544 C LEU A 39 0.678 -4.668 -5.621 1.00 0.00 C ATOM 545 O LEU A 39 0.381 -5.182 -4.543 1.00 0.00 O ATOM 546 CB LEU A 39 0.459 -6.542 -7.263 1.00 0.00 C ATOM 547 CG LEU A 39 -0.620 -6.049 -8.228 1.00 0.00 C ATOM 548 CD1 LEU A 39 -1.547 -5.064 -7.533 1.00 0.00 C ATOM 549 CD2 LEU A 39 0.014 -5.411 -9.456 1.00 0.00 C ATOM 0 H LEU A 39 2.458 -7.000 -5.731 1.00 0.00 H new ATOM 0 HA LEU A 39 1.686 -4.794 -7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.062 -7.291 -7.776 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.030 -7.044 -6.428 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.210 -6.906 -8.552 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.308 -4.724 -8.235 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.027 -5.552 -6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.971 -4.209 -7.180 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.769 -5.066 -10.132 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.628 -4.564 -9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.637 -6.145 -9.967 1.00 0.00 H new ATOM 561 N VAL A 40 0.400 -3.403 -5.921 1.00 0.00 N ATOM 562 CA VAL A 40 -0.287 -2.528 -4.978 1.00 0.00 C ATOM 563 C VAL A 40 -1.647 -2.100 -5.517 1.00 0.00 C ATOM 564 O VAL A 40 -1.738 -1.451 -6.560 1.00 0.00 O ATOM 565 CB VAL A 40 0.549 -1.271 -4.669 1.00 0.00 C ATOM 566 CG1 VAL A 40 -0.322 -0.191 -4.046 1.00 0.00 C ATOM 567 CG2 VAL A 40 1.715 -1.620 -3.756 1.00 0.00 C ATOM 0 H VAL A 40 0.640 -2.962 -6.809 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.426 -3.098 -4.060 1.00 0.00 H new ATOM 0 HB VAL A 40 0.952 -0.884 -5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.285 0.689 -3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.120 0.077 -4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.756 -0.564 -3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.295 -0.721 -3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.335 -2.031 -2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.352 -2.358 -4.245 1.00 0.00 H new ATOM 577 N ARG A 41 -2.704 -2.467 -4.799 1.00 0.00 N ATOM 578 CA ARG A 41 -4.061 -2.121 -5.205 1.00 0.00 C ATOM 579 C ARG A 41 -4.626 -1.011 -4.324 1.00 0.00 C ATOM 580 O ARG A 41 -4.766 -1.177 -3.112 1.00 0.00 O ATOM 581 CB ARG A 41 -4.966 -3.353 -5.135 1.00 0.00 C ATOM 582 CG ARG A 41 -4.901 -4.228 -6.376 1.00 0.00 C ATOM 583 CD ARG A 41 -5.261 -5.671 -6.059 1.00 0.00 C ATOM 584 NE ARG A 41 -6.695 -5.917 -6.181 1.00 0.00 N ATOM 585 CZ ARG A 41 -7.243 -7.124 -6.098 1.00 0.00 C ATOM 586 NH1 ARG A 41 -6.481 -8.190 -5.893 1.00 0.00 N ATOM 587 NH2 ARG A 41 -8.557 -7.268 -6.219 1.00 0.00 N ATOM 0 H ARG A 41 -2.647 -3.004 -3.934 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.026 -1.762 -6.234 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.688 -3.949 -4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.996 -3.029 -4.983 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.583 -3.840 -7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.898 -4.187 -6.800 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.721 -6.336 -6.733 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.937 -5.911 -5.046 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.310 -5.118 -6.339 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.471 -8.084 -5.799 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.905 -9.115 -5.830 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.147 -6.451 -6.376 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.976 -8.196 -6.155 1.00 0.00 H new ATOM 601 N CYS A 42 -4.947 0.121 -4.942 1.00 0.00 N ATOM 602 CA CYS A 42 -5.496 1.260 -4.214 1.00 0.00 C ATOM 603 C CYS A 42 -6.999 1.377 -4.441 1.00 0.00 C ATOM 604 O CYS A 42 -7.466 1.383 -5.580 1.00 0.00 O ATOM 605 CB CYS A 42 -4.800 2.551 -4.647 1.00 0.00 C ATOM 606 SG CYS A 42 -4.747 3.826 -3.366 1.00 0.00 S ATOM 0 H CYS A 42 -4.837 0.274 -5.944 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.320 1.100 -3.150 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.781 2.316 -4.954 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.312 2.951 -5.522 1.00 0.00 H new ATOM 0 HG CYS A 42 -4.455 4.972 -3.906 1.00 0.00 H new ATOM 612 N SER A 43 -7.752 1.469 -3.350 1.00 0.00 N ATOM 613 CA SER A 43 -9.204 1.581 -3.430 1.00 0.00 C ATOM 614 C SER A 43 -9.755 2.363 -2.241 1.00 0.00 C ATOM 615 O SER A 43 -9.242 2.288 -1.124 1.00 0.00 O ATOM 616 CB SER A 43 -9.841 0.191 -3.479 1.00 0.00 C ATOM 617 OG SER A 43 -9.979 -0.354 -2.178 1.00 0.00 O ATOM 0 H SER A 43 -7.381 1.468 -2.400 1.00 0.00 H new ATOM 0 HA SER A 43 -9.453 2.120 -4.344 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.819 0.253 -3.956 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.229 -0.471 -4.091 1.00 0.00 H new ATOM 0 HG SER A 43 -10.390 -1.242 -2.237 1.00 0.00 H new ATOM 623 N PRO A 44 -10.825 3.134 -2.486 1.00 0.00 N ATOM 624 CA PRO A 44 -11.470 3.945 -1.450 1.00 0.00 C ATOM 625 C PRO A 44 -12.198 3.093 -0.416 1.00 0.00 C ATOM 626 O PRO A 44 -12.853 2.109 -0.759 1.00 0.00 O ATOM 627 CB PRO A 44 -12.467 4.799 -2.237 1.00 0.00 C ATOM 628 CG PRO A 44 -12.758 4.006 -3.465 1.00 0.00 C ATOM 629 CD PRO A 44 -11.488 3.272 -3.794 1.00 0.00 C ATOM 0 HA PRO A 44 -10.747 4.527 -0.879 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.373 4.982 -1.660 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.045 5.773 -2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.579 3.309 -3.294 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.058 4.656 -4.287 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.691 2.301 -4.246 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.873 3.830 -4.500 1.00 0.00 H new ATOM 637 N ALA A 45 -12.080 3.478 0.850 1.00 0.00 N ATOM 638 CA ALA A 45 -12.729 2.750 1.934 1.00 0.00 C ATOM 639 C ALA A 45 -14.228 3.027 1.960 1.00 0.00 C ATOM 640 O ALA A 45 -15.028 2.139 2.255 1.00 0.00 O ATOM 641 CB ALA A 45 -12.099 3.119 3.269 1.00 0.00 C ATOM 0 H ALA A 45 -11.541 4.290 1.151 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.586 1.684 1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.593 2.568 4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.039 2.864 3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.213 4.189 3.441 1.00 0.00 H new ATOM 761 N ARG A 54 -7.559 0.596 -8.629 1.00 0.00 N ATOM 762 CA ARG A 54 -6.302 0.910 -9.297 1.00 0.00 C ATOM 763 C ARG A 54 -5.242 -0.143 -8.984 1.00 0.00 C ATOM 764 O ARG A 54 -5.044 -0.512 -7.827 1.00 0.00 O ATOM 765 CB ARG A 54 -5.804 2.292 -8.870 1.00 0.00 C ATOM 766 CG ARG A 54 -4.401 2.612 -9.357 1.00 0.00 C ATOM 767 CD ARG A 54 -4.129 4.108 -9.331 1.00 0.00 C ATOM 768 NE ARG A 54 -2.851 4.443 -9.954 1.00 0.00 N ATOM 769 CZ ARG A 54 -2.410 5.687 -10.104 1.00 0.00 C ATOM 770 NH1 ARG A 54 -3.140 6.708 -9.677 1.00 0.00 N ATOM 771 NH2 ARG A 54 -1.237 5.911 -10.681 1.00 0.00 N ATOM 0 HA ARG A 54 -6.482 0.912 -10.372 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.492 3.049 -9.247 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.825 2.356 -7.782 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.672 2.098 -8.731 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.272 2.235 -10.372 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.933 4.632 -9.849 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.132 4.459 -8.299 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.265 3.680 -10.292 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.042 6.539 -9.232 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.799 7.662 -9.793 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.673 5.128 -11.010 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.899 6.867 -10.796 1.00 0.00 H new ATOM 785 N GLU A 55 -4.567 -0.621 -10.024 1.00 0.00 N ATOM 786 CA GLU A 55 -3.529 -1.632 -9.860 1.00 0.00 C ATOM 787 C GLU A 55 -2.184 -1.120 -10.367 1.00 0.00 C ATOM 788 O GLU A 55 -2.053 -0.734 -11.529 1.00 0.00 O ATOM 789 CB GLU A 55 -3.912 -2.914 -10.603 1.00 0.00 C ATOM 790 CG GLU A 55 -4.966 -3.741 -9.886 1.00 0.00 C ATOM 791 CD GLU A 55 -6.308 -3.039 -9.812 1.00 0.00 C ATOM 792 OE1 GLU A 55 -6.742 -2.478 -10.840 1.00 0.00 O ATOM 793 OE2 GLU A 55 -6.925 -3.051 -8.726 1.00 0.00 O ATOM 0 H GLU A 55 -4.720 -0.325 -10.988 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.437 -1.851 -8.796 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.280 -2.653 -11.595 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.019 -3.523 -10.744 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.087 -4.694 -10.401 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.622 -3.965 -8.877 1.00 0.00 H new ATOM 800 N VAL A 56 -1.187 -1.118 -9.488 1.00 0.00 N ATOM 801 CA VAL A 56 0.147 -0.654 -9.846 1.00 0.00 C ATOM 802 C VAL A 56 1.214 -1.642 -9.388 1.00 0.00 C ATOM 803 O VAL A 56 0.989 -2.432 -8.471 1.00 0.00 O ATOM 804 CB VAL A 56 0.445 0.727 -9.232 1.00 0.00 C ATOM 805 CG1 VAL A 56 -0.593 1.745 -9.680 1.00 0.00 C ATOM 806 CG2 VAL A 56 0.493 0.636 -7.714 1.00 0.00 C ATOM 0 H VAL A 56 -1.279 -1.433 -8.522 1.00 0.00 H new ATOM 0 HA VAL A 56 0.173 -0.573 -10.933 1.00 0.00 H new ATOM 0 HB VAL A 56 1.422 1.059 -9.584 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.367 2.715 -9.237 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.574 1.830 -10.767 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.583 1.421 -9.358 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.705 1.621 -7.297 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.468 0.282 -7.340 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.277 -0.060 -7.416 1.00 0.00 H new ATOM 816 N GLN A 57 2.376 -1.591 -10.032 1.00 0.00 N ATOM 817 CA GLN A 57 3.478 -2.482 -9.690 1.00 0.00 C ATOM 818 C GLN A 57 4.726 -1.688 -9.319 1.00 0.00 C ATOM 819 O GLN A 57 5.176 -0.829 -10.077 1.00 0.00 O ATOM 820 CB GLN A 57 3.785 -3.419 -10.859 1.00 0.00 C ATOM 821 CG GLN A 57 2.998 -4.720 -10.820 1.00 0.00 C ATOM 822 CD GLN A 57 2.950 -5.414 -12.167 1.00 0.00 C ATOM 823 OE1 GLN A 57 3.986 -5.708 -12.764 1.00 0.00 O ATOM 824 NE2 GLN A 57 1.744 -5.680 -12.653 1.00 0.00 N ATOM 0 H GLN A 57 2.578 -0.942 -10.793 1.00 0.00 H new ATOM 0 HA GLN A 57 3.177 -3.075 -8.826 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.570 -2.902 -11.794 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.851 -3.649 -10.859 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.447 -5.390 -10.086 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.981 -4.515 -10.485 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.912 -5.418 -12.124 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.649 -6.146 -13.555 1.00 0.00 H new ATOM 833 N VAL A 58 5.280 -1.980 -8.146 1.00 0.00 N ATOM 834 CA VAL A 58 6.476 -1.293 -7.674 1.00 0.00 C ATOM 835 C VAL A 58 7.612 -2.278 -7.423 1.00 0.00 C ATOM 836 O VAL A 58 7.399 -3.363 -6.884 1.00 0.00 O ATOM 837 CB VAL A 58 6.198 -0.506 -6.380 1.00 0.00 C ATOM 838 CG1 VAL A 58 5.380 0.741 -6.678 1.00 0.00 C ATOM 839 CG2 VAL A 58 5.489 -1.388 -5.363 1.00 0.00 C ATOM 0 H VAL A 58 4.919 -2.687 -7.506 1.00 0.00 H new ATOM 0 HA VAL A 58 6.770 -0.595 -8.458 1.00 0.00 H new ATOM 0 HB VAL A 58 7.151 -0.192 -5.954 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.194 1.284 -5.751 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.930 1.380 -7.369 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.430 0.454 -7.128 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.300 -0.816 -4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.542 -1.733 -5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.116 -2.248 -5.127 1.00 0.00 H new ATOM 849 N GLY A 59 8.822 -1.891 -7.817 1.00 0.00 N ATOM 850 CA GLY A 59 9.975 -2.752 -7.625 1.00 0.00 C ATOM 851 C GLY A 59 10.489 -2.724 -6.199 1.00 0.00 C ATOM 852 O GLY A 59 11.487 -3.370 -5.880 1.00 0.00 O ATOM 0 H GLY A 59 9.024 -0.997 -8.265 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.709 -3.775 -7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.772 -2.443 -8.301 1.00 0.00 H new ATOM 856 N ARG A 60 9.807 -1.973 -5.341 1.00 0.00 N ATOM 857 CA ARG A 60 10.202 -1.862 -3.942 1.00 0.00 C ATOM 858 C ARG A 60 8.987 -1.967 -3.024 1.00 0.00 C ATOM 859 O ARG A 60 7.856 -1.682 -3.416 1.00 0.00 O ATOM 860 CB ARG A 60 10.925 -0.536 -3.698 1.00 0.00 C ATOM 861 CG ARG A 60 11.647 -0.002 -4.925 1.00 0.00 C ATOM 862 CD ARG A 60 12.816 0.891 -4.538 1.00 0.00 C ATOM 863 NE ARG A 60 14.026 0.120 -4.264 1.00 0.00 N ATOM 864 CZ ARG A 60 14.785 -0.419 -5.213 1.00 0.00 C ATOM 865 NH1 ARG A 60 14.460 -0.272 -6.490 1.00 0.00 N ATOM 866 NH2 ARG A 60 15.871 -1.106 -4.884 1.00 0.00 N ATOM 0 H ARG A 60 8.979 -1.432 -5.590 1.00 0.00 H new ATOM 0 HA ARG A 60 10.880 -2.685 -3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.201 0.206 -3.361 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.646 -0.668 -2.891 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.008 -0.835 -5.528 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.948 0.560 -5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 60 13.012 1.600 -5.342 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.550 1.474 -3.656 1.00 0.00 H new ATOM 0 HE ARG A 60 14.304 -0.012 -3.291 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.626 0.256 -6.746 1.00 0.00 H new ATOM 0 HH12 ARG A 60 15.044 -0.687 -7.216 1.00 0.00 H new ATOM 0 HH21 ARG A 60 16.124 -1.221 -3.903 1.00 0.00 H new ATOM 0 HH22 ARG A 60 16.453 -1.519 -5.612 1.00 0.00 H new ATOM 880 N PRO A 61 9.226 -2.385 -1.772 1.00 0.00 N ATOM 881 CA PRO A 61 8.165 -2.538 -0.772 1.00 0.00 C ATOM 882 C PRO A 61 7.598 -1.197 -0.320 1.00 0.00 C ATOM 883 O PRO A 61 6.742 -1.141 0.562 1.00 0.00 O ATOM 884 CB PRO A 61 8.871 -3.239 0.391 1.00 0.00 C ATOM 885 CG PRO A 61 10.306 -2.867 0.242 1.00 0.00 C ATOM 886 CD PRO A 61 10.551 -2.742 -1.236 1.00 0.00 C ATOM 0 HA PRO A 61 7.311 -3.090 -1.165 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.474 -2.910 1.351 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.735 -4.319 0.343 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.521 -1.929 0.754 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.953 -3.626 0.682 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.294 -1.975 -1.457 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.919 -3.675 -1.663 1.00 0.00 H new ATOM 894 N GLU A 62 8.080 -0.119 -0.931 1.00 0.00 N ATOM 895 CA GLU A 62 7.620 1.222 -0.589 1.00 0.00 C ATOM 896 C GLU A 62 6.884 1.860 -1.764 1.00 0.00 C ATOM 897 O GLU A 62 7.436 1.997 -2.856 1.00 0.00 O ATOM 898 CB GLU A 62 8.803 2.101 -0.175 1.00 0.00 C ATOM 899 CG GLU A 62 9.498 2.776 -1.346 1.00 0.00 C ATOM 900 CD GLU A 62 8.763 4.011 -1.828 1.00 0.00 C ATOM 901 OE1 GLU A 62 7.884 4.505 -1.091 1.00 0.00 O ATOM 902 OE2 GLU A 62 9.066 4.482 -2.944 1.00 0.00 O ATOM 0 H GLU A 62 8.788 -0.148 -1.665 1.00 0.00 H new ATOM 0 HA GLU A 62 6.928 1.139 0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.452 2.865 0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.528 1.491 0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.511 3.052 -1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.587 2.067 -2.169 1.00 0.00 H new ATOM 909 N VAL A 63 5.635 2.250 -1.531 1.00 0.00 N ATOM 910 CA VAL A 63 4.823 2.874 -2.568 1.00 0.00 C ATOM 911 C VAL A 63 4.349 4.258 -2.137 1.00 0.00 C ATOM 912 O VAL A 63 3.989 4.469 -0.978 1.00 0.00 O ATOM 913 CB VAL A 63 3.597 2.010 -2.918 1.00 0.00 C ATOM 914 CG1 VAL A 63 2.595 2.015 -1.773 1.00 0.00 C ATOM 915 CG2 VAL A 63 2.951 2.498 -4.205 1.00 0.00 C ATOM 0 H VAL A 63 5.163 2.145 -0.633 1.00 0.00 H new ATOM 0 HA VAL A 63 5.456 2.968 -3.451 1.00 0.00 H new ATOM 0 HB VAL A 63 3.930 0.984 -3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.736 1.399 -2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.066 1.613 -0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.265 3.036 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.087 1.876 -4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.631 3.533 -4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.672 2.436 -5.020 1.00 0.00 H new ATOM 925 N LEU A 64 4.351 5.197 -3.076 1.00 0.00 N ATOM 926 CA LEU A 64 3.920 6.562 -2.794 1.00 0.00 C ATOM 927 C LEU A 64 2.793 6.982 -3.732 1.00 0.00 C ATOM 928 O LEU A 64 2.997 7.130 -4.937 1.00 0.00 O ATOM 929 CB LEU A 64 5.098 7.528 -2.929 1.00 0.00 C ATOM 930 CG LEU A 64 4.772 9.012 -2.764 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.131 9.270 -1.409 1.00 0.00 C ATOM 932 CD2 LEU A 64 6.027 9.856 -2.932 1.00 0.00 C ATOM 0 H LEU A 64 4.646 5.039 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 64 3.547 6.595 -1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.850 7.257 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.550 7.383 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 64 4.061 9.297 -3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.906 10.332 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.209 8.694 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.818 8.969 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.776 10.910 -2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.762 9.570 -2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.444 9.694 -3.926 1.00 0.00 H new ATOM 944 N LEU A 65 1.604 7.175 -3.171 1.00 0.00 N ATOM 945 CA LEU A 65 0.444 7.581 -3.956 1.00 0.00 C ATOM 946 C LEU A 65 0.321 9.100 -4.001 1.00 0.00 C ATOM 947 O LEU A 65 -0.023 9.735 -3.004 1.00 0.00 O ATOM 948 CB LEU A 65 -0.831 6.972 -3.371 1.00 0.00 C ATOM 949 CG LEU A 65 -0.792 5.468 -3.097 1.00 0.00 C ATOM 950 CD1 LEU A 65 -1.926 5.065 -2.166 1.00 0.00 C ATOM 951 CD2 LEU A 65 -0.867 4.686 -4.400 1.00 0.00 C ATOM 0 H LEU A 65 1.418 7.057 -2.175 1.00 0.00 H new ATOM 0 HA LEU A 65 0.580 7.216 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.060 7.485 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.654 7.175 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 65 0.153 5.232 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.882 3.991 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.828 5.599 -1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.882 5.315 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.838 3.618 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.796 4.927 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.021 4.952 -5.033 1.00 0.00 H new ATOM 963 N ASP A 66 0.603 9.677 -5.164 1.00 0.00 N ATOM 964 CA ASP A 66 0.521 11.123 -5.340 1.00 0.00 C ATOM 965 C ASP A 66 -0.858 11.531 -5.846 1.00 0.00 C ATOM 966 O ASP A 66 -1.430 10.877 -6.717 1.00 0.00 O ATOM 967 CB ASP A 66 1.598 11.601 -6.315 1.00 0.00 C ATOM 968 CG ASP A 66 1.665 10.749 -7.567 1.00 0.00 C ATOM 969 OD1 ASP A 66 0.741 10.846 -8.400 1.00 0.00 O ATOM 970 OD2 ASP A 66 2.642 9.984 -7.713 1.00 0.00 O ATOM 0 H ASP A 66 0.890 9.166 -5.999 1.00 0.00 H new ATOM 0 HA ASP A 66 0.686 11.593 -4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.398 12.636 -6.594 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.567 11.586 -5.817 1.00 0.00 H new ATOM 975 N GLY A 67 -1.389 12.618 -5.293 1.00 0.00 N ATOM 976 CA GLY A 67 -2.698 13.094 -5.700 1.00 0.00 C ATOM 977 C GLY A 67 -3.815 12.508 -4.860 1.00 0.00 C ATOM 978 O GLY A 67 -4.569 11.652 -5.325 1.00 0.00 O ATOM 0 H GLY A 67 -0.936 13.177 -4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.725 14.181 -5.627 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.864 12.841 -6.747 1.00 0.00 H new ATOM 982 N LEU A 68 -3.922 12.968 -3.618 1.00 0.00 N ATOM 983 CA LEU A 68 -4.955 12.482 -2.709 1.00 0.00 C ATOM 984 C LEU A 68 -5.644 13.643 -1.998 1.00 0.00 C ATOM 985 O LEU A 68 -5.356 14.808 -2.270 1.00 0.00 O ATOM 986 CB LEU A 68 -4.349 11.527 -1.680 1.00 0.00 C ATOM 987 CG LEU A 68 -3.848 10.187 -2.221 1.00 0.00 C ATOM 988 CD1 LEU A 68 -3.109 9.417 -1.138 1.00 0.00 C ATOM 989 CD2 LEU A 68 -5.007 9.365 -2.766 1.00 0.00 C ATOM 0 H LEU A 68 -3.307 13.676 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.700 11.946 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.516 12.033 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.097 11.329 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.153 10.383 -3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.760 8.466 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.255 10.001 -0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.782 9.231 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.632 8.415 -3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.727 9.178 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.494 9.913 -3.573 1.00 0.00 H new ATOM 1001 N GLU A 69 -6.553 13.315 -1.086 1.00 0.00 N ATOM 1002 CA GLU A 69 -7.281 14.332 -0.335 1.00 0.00 C ATOM 1003 C GLU A 69 -7.154 14.094 1.167 1.00 0.00 C ATOM 1004 O GLU A 69 -6.972 12.968 1.630 1.00 0.00 O ATOM 1005 CB GLU A 69 -8.757 14.335 -0.738 1.00 0.00 C ATOM 1006 CG GLU A 69 -9.581 13.265 -0.042 1.00 0.00 C ATOM 1007 CD GLU A 69 -11.073 13.499 -0.174 1.00 0.00 C ATOM 1008 OE1 GLU A 69 -11.560 13.589 -1.321 1.00 0.00 O ATOM 1009 OE2 GLU A 69 -11.754 13.594 0.869 1.00 0.00 O ATOM 0 H GLU A 69 -6.803 12.355 -0.849 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.845 15.303 -0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.184 15.313 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.831 14.194 -1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.332 12.290 -0.461 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.314 13.236 1.014 1.00 0.00 H new ATOM 1016 N PRO A 70 -7.250 15.181 1.948 1.00 0.00 N ATOM 1017 CA PRO A 70 -7.148 15.118 3.409 1.00 0.00 C ATOM 1018 C PRO A 70 -8.353 14.433 4.045 1.00 0.00 C ATOM 1019 O PRO A 70 -9.401 14.288 3.415 1.00 0.00 O ATOM 1020 CB PRO A 70 -7.089 16.590 3.824 1.00 0.00 C ATOM 1021 CG PRO A 70 -7.770 17.323 2.721 1.00 0.00 C ATOM 1022 CD PRO A 70 -7.467 16.555 1.464 1.00 0.00 C ATOM 0 HA PRO A 70 -6.286 14.535 3.733 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.592 16.753 4.777 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.059 16.926 3.946 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.845 17.379 2.895 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.405 18.348 2.650 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.292 16.605 0.754 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.585 16.946 0.957 1.00 0.00 H new ATOM 1030 N GLY A 71 -8.198 14.015 5.297 1.00 0.00 N ATOM 1031 CA GLY A 71 -9.282 13.351 5.997 1.00 0.00 C ATOM 1032 C GLY A 71 -9.990 12.327 5.132 1.00 0.00 C ATOM 1033 O GLY A 71 -11.202 12.408 4.929 1.00 0.00 O ATOM 0 H GLY A 71 -7.341 14.124 5.839 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.889 12.860 6.887 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.002 14.096 6.336 1.00 0.00 H new ATOM 1037 N ARG A 72 -9.233 11.363 4.619 1.00 0.00 N ATOM 1038 CA ARG A 72 -9.796 10.321 3.768 1.00 0.00 C ATOM 1039 C ARG A 72 -9.198 8.959 4.108 1.00 0.00 C ATOM 1040 O ARG A 72 -7.998 8.842 4.358 1.00 0.00 O ATOM 1041 CB ARG A 72 -9.545 10.646 2.294 1.00 0.00 C ATOM 1042 CG ARG A 72 -10.320 9.758 1.334 1.00 0.00 C ATOM 1043 CD ARG A 72 -11.666 10.368 0.976 1.00 0.00 C ATOM 1044 NE ARG A 72 -12.493 9.449 0.197 1.00 0.00 N ATOM 1045 CZ ARG A 72 -12.390 9.304 -1.119 1.00 0.00 C ATOM 1046 NH1 ARG A 72 -11.500 10.013 -1.800 1.00 0.00 N ATOM 1047 NH2 ARG A 72 -13.178 8.448 -1.757 1.00 0.00 N ATOM 0 H ARG A 72 -8.229 11.282 4.778 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.870 10.282 3.947 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.812 11.686 2.109 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.480 10.549 2.086 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.736 9.604 0.427 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.472 8.778 1.785 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.193 10.645 1.889 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.509 11.285 0.408 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.187 8.888 0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.892 10.672 -1.313 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.423 9.900 -2.811 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.864 7.901 -1.237 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.098 8.337 -2.768 1.00 0.00 H new ATOM 1061 N ASP A 73 -10.042 7.934 4.117 1.00 0.00 N ATOM 1062 CA ASP A 73 -9.597 6.580 4.426 1.00 0.00 C ATOM 1063 C ASP A 73 -9.419 5.762 3.151 1.00 0.00 C ATOM 1064 O ASP A 73 -10.396 5.378 2.507 1.00 0.00 O ATOM 1065 CB ASP A 73 -10.599 5.890 5.354 1.00 0.00 C ATOM 1066 CG ASP A 73 -10.944 6.736 6.564 1.00 0.00 C ATOM 1067 OD1 ASP A 73 -11.854 7.583 6.455 1.00 0.00 O ATOM 1068 OD2 ASP A 73 -10.302 6.551 7.620 1.00 0.00 O ATOM 0 H ASP A 73 -11.038 8.014 3.914 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.633 6.647 4.930 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.510 5.667 4.799 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.186 4.937 5.686 1.00 0.00 H new ATOM 1073 N TYR A 74 -8.168 5.499 2.792 1.00 0.00 N ATOM 1074 CA TYR A 74 -7.862 4.730 1.592 1.00 0.00 C ATOM 1075 C TYR A 74 -7.470 3.299 1.947 1.00 0.00 C ATOM 1076 O TYR A 74 -7.033 3.023 3.064 1.00 0.00 O ATOM 1077 CB TYR A 74 -6.733 5.399 0.806 1.00 0.00 C ATOM 1078 CG TYR A 74 -7.183 6.598 0.002 1.00 0.00 C ATOM 1079 CD1 TYR A 74 -7.729 6.445 -1.266 1.00 0.00 C ATOM 1080 CD2 TYR A 74 -7.063 7.885 0.512 1.00 0.00 C ATOM 1081 CE1 TYR A 74 -8.141 7.537 -2.004 1.00 0.00 C ATOM 1082 CE2 TYR A 74 -7.474 8.984 -0.218 1.00 0.00 C ATOM 1083 CZ TYR A 74 -8.012 8.805 -1.476 1.00 0.00 C ATOM 1084 OH TYR A 74 -8.422 9.896 -2.207 1.00 0.00 O ATOM 0 H TYR A 74 -7.349 5.807 3.315 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.759 4.699 0.973 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.953 5.710 1.501 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.287 4.667 0.133 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.833 5.454 -1.682 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.641 8.029 1.496 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.562 7.399 -2.989 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.375 9.977 0.194 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.263 10.714 -1.691 1.00 0.00 H new ATOM 1094 N GLU A 75 -7.629 2.393 0.988 1.00 0.00 N ATOM 1095 CA GLU A 75 -7.293 0.990 1.199 1.00 0.00 C ATOM 1096 C GLU A 75 -6.174 0.551 0.258 1.00 0.00 C ATOM 1097 O GLU A 75 -6.358 0.488 -0.957 1.00 0.00 O ATOM 1098 CB GLU A 75 -8.526 0.109 0.988 1.00 0.00 C ATOM 1099 CG GLU A 75 -9.337 -0.116 2.253 1.00 0.00 C ATOM 1100 CD GLU A 75 -8.493 -0.628 3.404 1.00 0.00 C ATOM 1101 OE1 GLU A 75 -8.065 -1.800 3.349 1.00 0.00 O ATOM 1102 OE2 GLU A 75 -8.260 0.143 4.358 1.00 0.00 O ATOM 0 H GLU A 75 -7.988 2.605 0.057 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.946 0.877 2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.165 0.568 0.234 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.209 -0.856 0.593 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.814 0.819 2.545 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.135 -0.830 2.047 1.00 0.00 H new ATOM 1109 N VAL A 76 -5.012 0.250 0.830 1.00 0.00 N ATOM 1110 CA VAL A 76 -3.863 -0.183 0.045 1.00 0.00 C ATOM 1111 C VAL A 76 -3.516 -1.639 0.335 1.00 0.00 C ATOM 1112 O VAL A 76 -3.243 -2.007 1.477 1.00 0.00 O ATOM 1113 CB VAL A 76 -2.628 0.694 0.326 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -1.491 0.334 -0.618 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -2.984 2.168 0.209 1.00 0.00 C ATOM 0 H VAL A 76 -4.842 0.298 1.835 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.140 -0.081 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.294 0.505 1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.627 0.964 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.220 -0.713 -0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.810 0.492 -1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.100 2.773 0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.344 2.376 -0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.763 2.413 0.931 1.00 0.00 H new ATOM 1125 N SER A 77 -3.528 -2.463 -0.708 1.00 0.00 N ATOM 1126 CA SER A 77 -3.218 -3.881 -0.564 1.00 0.00 C ATOM 1127 C SER A 77 -1.935 -4.234 -1.310 1.00 0.00 C ATOM 1128 O SER A 77 -1.833 -4.040 -2.521 1.00 0.00 O ATOM 1129 CB SER A 77 -4.376 -4.733 -1.088 1.00 0.00 C ATOM 1130 OG SER A 77 -5.620 -4.089 -0.875 1.00 0.00 O ATOM 0 H SER A 77 -3.749 -2.174 -1.661 1.00 0.00 H new ATOM 0 HA SER A 77 -3.072 -4.091 0.496 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.239 -4.923 -2.152 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.374 -5.702 -0.588 1.00 0.00 H new ATOM 0 HG SER A 77 -6.344 -4.653 -1.220 1.00 0.00 H new ATOM 1136 N VAL A 78 -0.956 -4.754 -0.576 1.00 0.00 N ATOM 1137 CA VAL A 78 0.322 -5.136 -1.166 1.00 0.00 C ATOM 1138 C VAL A 78 0.412 -6.646 -1.351 1.00 0.00 C ATOM 1139 O VAL A 78 0.051 -7.413 -0.458 1.00 0.00 O ATOM 1140 CB VAL A 78 1.504 -4.665 -0.298 1.00 0.00 C ATOM 1141 CG1 VAL A 78 2.822 -5.148 -0.883 1.00 0.00 C ATOM 1142 CG2 VAL A 78 1.495 -3.149 -0.163 1.00 0.00 C ATOM 0 H VAL A 78 -1.023 -4.920 0.428 1.00 0.00 H new ATOM 0 HA VAL A 78 0.379 -4.649 -2.140 1.00 0.00 H new ATOM 0 HB VAL A 78 1.396 -5.096 0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.645 -4.806 -0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.825 -6.237 -0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.942 -4.748 -1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.337 -2.834 0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.578 -2.695 -1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.563 -2.831 0.305 1.00 0.00 H new ATOM 1152 N GLN A 79 0.896 -7.066 -2.515 1.00 0.00 N ATOM 1153 CA GLN A 79 1.033 -8.486 -2.817 1.00 0.00 C ATOM 1154 C GLN A 79 2.400 -8.784 -3.425 1.00 0.00 C ATOM 1155 O GLN A 79 2.756 -8.243 -4.472 1.00 0.00 O ATOM 1156 CB GLN A 79 -0.072 -8.935 -3.775 1.00 0.00 C ATOM 1157 CG GLN A 79 0.090 -10.365 -4.264 1.00 0.00 C ATOM 1158 CD GLN A 79 -1.202 -10.948 -4.801 1.00 0.00 C ATOM 1159 OE1 GLN A 79 -2.262 -10.803 -4.191 1.00 0.00 O ATOM 1160 NE2 GLN A 79 -1.121 -11.613 -5.947 1.00 0.00 N ATOM 0 H GLN A 79 1.200 -6.444 -3.264 1.00 0.00 H new ATOM 0 HA GLN A 79 0.942 -9.040 -1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.036 -8.838 -3.275 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.090 -8.266 -4.635 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.850 -10.394 -5.045 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.452 -10.986 -3.445 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.222 -11.709 -6.419 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.958 -12.028 -6.356 1.00 0.00 H new ATOM 1169 N SER A 80 3.163 -9.646 -2.761 1.00 0.00 N ATOM 1170 CA SER A 80 4.493 -10.013 -3.233 1.00 0.00 C ATOM 1171 C SER A 80 4.404 -11.003 -4.390 1.00 0.00 C ATOM 1172 O SER A 80 4.063 -12.171 -4.199 1.00 0.00 O ATOM 1173 CB SER A 80 5.314 -10.616 -2.092 1.00 0.00 C ATOM 1174 OG SER A 80 5.185 -9.847 -0.909 1.00 0.00 O ATOM 0 H SER A 80 2.883 -10.104 -1.894 1.00 0.00 H new ATOM 0 HA SER A 80 4.988 -9.109 -3.588 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.984 -11.638 -1.903 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.363 -10.668 -2.383 1.00 0.00 H new ATOM 0 HG SER A 80 5.535 -8.945 -1.065 1.00 0.00 H new ATOM 1180 N LEU A 81 4.714 -10.528 -5.592 1.00 0.00 N ATOM 1181 CA LEU A 81 4.670 -11.371 -6.782 1.00 0.00 C ATOM 1182 C LEU A 81 5.994 -12.104 -6.979 1.00 0.00 C ATOM 1183 O LEU A 81 7.064 -11.553 -6.720 1.00 0.00 O ATOM 1184 CB LEU A 81 4.353 -10.527 -8.017 1.00 0.00 C ATOM 1185 CG LEU A 81 2.889 -10.121 -8.194 1.00 0.00 C ATOM 1186 CD1 LEU A 81 2.019 -11.346 -8.428 1.00 0.00 C ATOM 1187 CD2 LEU A 81 2.401 -9.342 -6.981 1.00 0.00 C ATOM 0 H LEU A 81 4.998 -9.564 -5.768 1.00 0.00 H new ATOM 0 HA LEU A 81 3.882 -12.112 -6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.958 -9.621 -7.979 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.665 -11.082 -8.902 1.00 0.00 H new ATOM 0 HG LEU A 81 2.815 -9.476 -9.069 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.981 -11.037 -8.552 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.353 -11.863 -9.327 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.098 -12.017 -7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.358 -9.061 -7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.490 -9.963 -6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.005 -8.443 -6.859 1.00 0.00 H new ATOM 1199 N ARG A 82 5.913 -13.347 -7.442 1.00 0.00 N ATOM 1200 CA ARG A 82 7.104 -14.155 -7.675 1.00 0.00 C ATOM 1201 C ARG A 82 7.113 -14.712 -9.096 1.00 0.00 C ATOM 1202 O ARG A 82 7.799 -15.691 -9.385 1.00 0.00 O ATOM 1203 CB ARG A 82 7.174 -15.302 -6.665 1.00 0.00 C ATOM 1204 CG ARG A 82 6.192 -16.426 -6.952 1.00 0.00 C ATOM 1205 CD ARG A 82 6.715 -17.764 -6.453 1.00 0.00 C ATOM 1206 NE ARG A 82 5.633 -18.696 -6.148 1.00 0.00 N ATOM 1207 CZ ARG A 82 5.812 -20.002 -5.984 1.00 0.00 C ATOM 1208 NH1 ARG A 82 7.025 -20.527 -6.095 1.00 0.00 N ATOM 1209 NH2 ARG A 82 4.778 -20.785 -5.708 1.00 0.00 N ATOM 0 H ARG A 82 5.035 -13.817 -7.663 1.00 0.00 H new ATOM 0 HA ARG A 82 7.977 -13.515 -7.548 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.186 -15.708 -6.658 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.981 -14.908 -5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.237 -16.207 -6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.007 -16.484 -8.025 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.368 -18.202 -7.208 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.320 -17.606 -5.560 1.00 0.00 H new ATOM 0 HE ARG A 82 4.688 -18.324 -6.056 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.823 -19.928 -6.307 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.160 -21.530 -5.969 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.844 -20.385 -5.621 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.917 -21.788 -5.582 1.00 0.00 H new ATOM 1223 N GLY A 83 6.346 -14.080 -9.979 1.00 0.00 N ATOM 1224 CA GLY A 83 6.280 -14.526 -11.358 1.00 0.00 C ATOM 1225 C GLY A 83 4.878 -14.924 -11.772 1.00 0.00 C ATOM 1226 O GLY A 83 4.052 -14.085 -12.134 1.00 0.00 O ATOM 0 H GLY A 83 5.769 -13.267 -9.764 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.636 -13.730 -12.012 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.950 -15.374 -11.495 1.00 0.00 H new ATOM 1230 N PRO A 84 4.591 -16.234 -11.723 1.00 0.00 N ATOM 1231 CA PRO A 84 3.278 -16.771 -12.094 1.00 0.00 C ATOM 1232 C PRO A 84 2.194 -16.396 -11.090 1.00 0.00 C ATOM 1233 O PRO A 84 1.137 -15.890 -11.465 1.00 0.00 O ATOM 1234 CB PRO A 84 3.503 -18.285 -12.098 1.00 0.00 C ATOM 1235 CG PRO A 84 4.644 -18.501 -11.165 1.00 0.00 C ATOM 1236 CD PRO A 84 5.526 -17.290 -11.302 1.00 0.00 C ATOM 0 HA PRO A 84 2.930 -16.375 -13.048 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.613 -18.818 -11.765 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.736 -18.648 -13.099 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.293 -18.614 -10.139 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.188 -19.411 -11.418 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.016 -17.041 -10.361 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.313 -17.447 -12.039 1.00 0.00 H new ATOM 1244 N GLU A 85 2.464 -16.647 -9.813 1.00 0.00 N ATOM 1245 CA GLU A 85 1.509 -16.336 -8.755 1.00 0.00 C ATOM 1246 C GLU A 85 2.157 -15.476 -7.674 1.00 0.00 C ATOM 1247 O GLU A 85 3.362 -15.556 -7.441 1.00 0.00 O ATOM 1248 CB GLU A 85 0.959 -17.623 -8.138 1.00 0.00 C ATOM 1249 CG GLU A 85 2.036 -18.538 -7.578 1.00 0.00 C ATOM 1250 CD GLU A 85 1.487 -19.549 -6.590 1.00 0.00 C ATOM 1251 OE1 GLU A 85 0.592 -20.329 -6.977 1.00 0.00 O ATOM 1252 OE2 GLU A 85 1.952 -19.559 -5.431 1.00 0.00 O ATOM 0 H GLU A 85 3.335 -17.064 -9.486 1.00 0.00 H new ATOM 0 HA GLU A 85 0.686 -15.775 -9.197 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.263 -17.365 -7.340 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.391 -18.165 -8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.523 -19.065 -8.399 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.801 -17.935 -7.088 1.00 0.00 H new ATOM 1259 N GLY A 86 1.346 -14.653 -7.015 1.00 0.00 N ATOM 1260 CA GLY A 86 1.857 -13.790 -5.966 1.00 0.00 C ATOM 1261 C GLY A 86 1.474 -14.272 -4.581 1.00 0.00 C ATOM 1262 O GLY A 86 0.922 -15.361 -4.425 1.00 0.00 O ATOM 0 H GLY A 86 0.345 -14.569 -7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.943 -13.736 -6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 86 1.477 -12.779 -6.114 1.00 0.00 H new ATOM 1266 N SER A 87 1.768 -13.459 -3.571 1.00 0.00 N ATOM 1267 CA SER A 87 1.456 -13.810 -2.191 1.00 0.00 C ATOM 1268 C SER A 87 0.045 -13.363 -1.822 1.00 0.00 C ATOM 1269 O SER A 87 -0.653 -12.749 -2.629 1.00 0.00 O ATOM 1270 CB SER A 87 2.470 -13.174 -1.238 1.00 0.00 C ATOM 1271 OG SER A 87 2.312 -11.767 -1.191 1.00 0.00 O ATOM 0 H SER A 87 2.222 -12.553 -3.683 1.00 0.00 H new ATOM 0 HA SER A 87 1.511 -14.895 -2.097 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.346 -13.591 -0.239 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.482 -13.419 -1.562 1.00 0.00 H new ATOM 0 HG SER A 87 2.422 -11.456 -0.268 1.00 0.00 H new ATOM 1277 N GLU A 88 -0.367 -13.675 -0.598 1.00 0.00 N ATOM 1278 CA GLU A 88 -1.695 -13.306 -0.122 1.00 0.00 C ATOM 1279 C GLU A 88 -1.860 -11.789 -0.091 1.00 0.00 C ATOM 1280 O GLU A 88 -0.878 -11.047 -0.098 1.00 0.00 O ATOM 1281 CB GLU A 88 -1.941 -13.885 1.273 1.00 0.00 C ATOM 1282 CG GLU A 88 -2.444 -15.319 1.257 1.00 0.00 C ATOM 1283 CD GLU A 88 -3.613 -15.516 0.312 1.00 0.00 C ATOM 1284 OE1 GLU A 88 -4.769 -15.349 0.754 1.00 0.00 O ATOM 1285 OE2 GLU A 88 -3.372 -15.838 -0.871 1.00 0.00 O ATOM 0 H GLU A 88 0.199 -14.182 0.082 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.428 -13.720 -0.814 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.014 -13.840 1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.667 -13.260 1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.630 -15.982 0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.744 -15.606 2.265 1.00 0.00 H new ATOM 1292 N ALA A 89 -3.109 -11.336 -0.057 1.00 0.00 N ATOM 1293 CA ALA A 89 -3.403 -9.909 -0.024 1.00 0.00 C ATOM 1294 C ALA A 89 -3.336 -9.368 1.400 1.00 0.00 C ATOM 1295 O ALA A 89 -4.113 -9.772 2.265 1.00 0.00 O ATOM 1296 CB ALA A 89 -4.773 -9.638 -0.629 1.00 0.00 C ATOM 0 H ALA A 89 -3.933 -11.937 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.647 -9.394 -0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.979 -8.568 -0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.788 -9.980 -1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.534 -10.171 -0.059 1.00 0.00 H new ATOM 1302 N ARG A 90 -2.402 -8.452 1.636 1.00 0.00 N ATOM 1303 CA ARG A 90 -2.232 -7.857 2.956 1.00 0.00 C ATOM 1304 C ARG A 90 -2.138 -6.337 2.859 1.00 0.00 C ATOM 1305 O ARG A 90 -1.069 -5.787 2.597 1.00 0.00 O ATOM 1306 CB ARG A 90 -0.978 -8.414 3.633 1.00 0.00 C ATOM 1307 CG ARG A 90 -1.058 -9.902 3.932 1.00 0.00 C ATOM 1308 CD ARG A 90 -1.994 -10.187 5.096 1.00 0.00 C ATOM 1309 NE ARG A 90 -1.332 -10.014 6.386 1.00 0.00 N ATOM 1310 CZ ARG A 90 -0.429 -10.861 6.868 1.00 0.00 C ATOM 1311 NH1 ARG A 90 -0.084 -11.935 6.171 1.00 0.00 N ATOM 1312 NH2 ARG A 90 0.130 -10.635 8.050 1.00 0.00 N ATOM 0 H ARG A 90 -1.752 -8.106 0.930 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.105 -8.113 3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.116 -8.226 2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.807 -7.873 4.564 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.405 -10.434 3.046 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.063 -10.282 4.163 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.856 -9.522 5.039 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.372 -11.206 5.016 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.576 -9.198 6.948 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.512 -12.113 5.262 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.610 -12.584 6.543 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.133 -9.810 8.589 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.823 -11.286 8.419 1.00 0.00 H new ATOM 1326 N GLY A 91 -3.264 -5.664 3.073 1.00 0.00 N ATOM 1327 CA GLY A 91 -3.287 -4.215 3.005 1.00 0.00 C ATOM 1328 C GLY A 91 -3.560 -3.575 4.351 1.00 0.00 C ATOM 1329 O GLY A 91 -4.010 -4.243 5.283 1.00 0.00 O ATOM 0 H GLY A 91 -4.161 -6.097 3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.331 -3.857 2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.051 -3.900 2.295 1.00 0.00 H new ATOM 1333 N ILE A 92 -3.287 -2.279 4.455 1.00 0.00 N ATOM 1334 CA ILE A 92 -3.506 -1.550 5.698 1.00 0.00 C ATOM 1335 C ILE A 92 -4.474 -0.390 5.492 1.00 0.00 C ATOM 1336 O ILE A 92 -4.619 0.121 4.382 1.00 0.00 O ATOM 1337 CB ILE A 92 -2.184 -1.005 6.272 1.00 0.00 C ATOM 1338 CG1 ILE A 92 -2.441 -0.254 7.580 1.00 0.00 C ATOM 1339 CG2 ILE A 92 -1.502 -0.097 5.259 1.00 0.00 C ATOM 1340 CD1 ILE A 92 -1.186 0.010 8.382 1.00 0.00 C ATOM 0 H ILE A 92 -2.914 -1.712 3.694 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.936 -2.258 6.407 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.522 -1.845 6.482 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.925 0.696 7.355 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.137 -0.830 8.189 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.569 0.280 5.679 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.289 -0.660 4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.158 0.740 5.021 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.444 0.546 9.296 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.712 -0.937 8.638 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.496 0.612 7.791 1.00 0.00 H new ATOM 1352 N ARG A 93 -5.132 0.023 6.571 1.00 0.00 N ATOM 1353 CA ARG A 93 -6.086 1.123 6.508 1.00 0.00 C ATOM 1354 C ARG A 93 -5.364 2.467 6.466 1.00 0.00 C ATOM 1355 O ARG A 93 -4.881 2.955 7.487 1.00 0.00 O ATOM 1356 CB ARG A 93 -7.030 1.077 7.712 1.00 0.00 C ATOM 1357 CG ARG A 93 -8.411 1.644 7.425 1.00 0.00 C ATOM 1358 CD ARG A 93 -8.399 3.164 7.417 1.00 0.00 C ATOM 1359 NE ARG A 93 -8.214 3.717 8.756 1.00 0.00 N ATOM 1360 CZ ARG A 93 -9.207 3.900 9.619 1.00 0.00 C ATOM 1361 NH1 ARG A 93 -10.448 3.575 9.285 1.00 0.00 N ATOM 1362 NH2 ARG A 93 -8.960 4.408 10.819 1.00 0.00 N ATOM 0 H ARG A 93 -5.022 -0.388 7.498 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.669 1.014 5.593 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.132 0.044 8.043 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.582 1.633 8.536 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.763 1.277 6.461 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -9.115 1.289 8.178 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.599 3.517 6.766 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.336 3.532 6.999 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.271 3.977 9.044 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.642 3.183 8.363 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.209 3.717 9.950 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.006 4.659 11.080 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.724 4.548 11.481 1.00 0.00 H new ATOM 1376 N ALA A 94 -5.295 3.059 5.278 1.00 0.00 N ATOM 1377 CA ALA A 94 -4.634 4.346 5.103 1.00 0.00 C ATOM 1378 C ALA A 94 -5.480 5.479 5.673 1.00 0.00 C ATOM 1379 O ALA A 94 -6.709 5.418 5.658 1.00 0.00 O ATOM 1380 CB ALA A 94 -4.341 4.592 3.630 1.00 0.00 C ATOM 0 H ALA A 94 -5.689 2.667 4.422 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.692 4.321 5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.847 5.557 3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.691 3.803 3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.275 4.592 3.068 1.00 0.00 H new ATOM 1386 N ARG A 95 -4.813 6.513 6.176 1.00 0.00 N ATOM 1387 CA ARG A 95 -5.504 7.660 6.753 1.00 0.00 C ATOM 1388 C ARG A 95 -4.718 8.946 6.512 1.00 0.00 C ATOM 1389 O ARG A 95 -3.503 8.916 6.314 1.00 0.00 O ATOM 1390 CB ARG A 95 -5.715 7.453 8.254 1.00 0.00 C ATOM 1391 CG ARG A 95 -4.566 7.963 9.107 1.00 0.00 C ATOM 1392 CD ARG A 95 -4.775 7.635 10.577 1.00 0.00 C ATOM 1393 NE ARG A 95 -3.509 7.486 11.290 1.00 0.00 N ATOM 1394 CZ ARG A 95 -3.380 7.652 12.602 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -4.435 7.970 13.340 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -2.195 7.499 13.178 1.00 0.00 N ATOM 0 H ARG A 95 -3.795 6.580 6.196 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.475 7.751 6.265 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.633 7.958 8.556 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -5.857 6.390 8.449 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.632 7.519 8.763 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.471 9.042 8.984 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.364 8.424 11.044 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.351 6.714 10.665 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.678 7.241 10.751 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.348 8.088 12.901 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.333 8.097 14.347 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.382 7.254 12.614 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.097 7.627 14.185 1.00 0.00 H new ATOM 1410 N THR A 96 -5.420 10.075 6.531 1.00 0.00 N ATOM 1411 CA THR A 96 -4.789 11.370 6.313 1.00 0.00 C ATOM 1412 C THR A 96 -5.465 12.457 7.142 1.00 0.00 C ATOM 1413 O THR A 96 -6.689 12.502 7.271 1.00 0.00 O ATOM 1414 CB THR A 96 -4.832 11.773 4.826 1.00 0.00 C ATOM 1415 OG1 THR A 96 -6.168 11.654 4.325 1.00 0.00 O ATOM 1416 CG2 THR A 96 -3.896 10.902 4.003 1.00 0.00 C ATOM 0 H THR A 96 -6.426 10.118 6.695 1.00 0.00 H new ATOM 0 HA THR A 96 -3.749 11.272 6.625 1.00 0.00 H new ATOM 0 HB THR A 96 -4.505 12.809 4.743 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.245 12.142 3.479 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.943 11.205 2.957 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.876 11.018 4.369 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.197 9.858 4.093 1.00 0.00 H new ATOM 1424 N PRO A 97 -4.652 13.355 7.717 1.00 0.00 N ATOM 1425 CA PRO A 97 -5.150 14.459 8.543 1.00 0.00 C ATOM 1426 C PRO A 97 -5.889 15.509 7.722 1.00 0.00 C ATOM 1427 O PRO A 97 -6.199 15.292 6.550 1.00 0.00 O ATOM 1428 CB PRO A 97 -3.875 15.052 9.148 1.00 0.00 C ATOM 1429 CG PRO A 97 -2.796 14.694 8.185 1.00 0.00 C ATOM 1430 CD PRO A 97 -3.183 13.361 7.606 1.00 0.00 C ATOM 0 HA PRO A 97 -5.872 14.119 9.285 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -3.958 16.132 9.266 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -3.676 14.638 10.137 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.705 15.448 7.403 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.830 14.636 8.686 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.858 13.263 6.570 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.735 12.537 8.160 1.00 0.00 H new ATOM 1438 N THR A 98 -6.168 16.651 8.343 1.00 0.00 N ATOM 1439 CA THR A 98 -6.871 17.736 7.670 1.00 0.00 C ATOM 1440 C THR A 98 -6.182 19.073 7.915 1.00 0.00 C ATOM 1441 O THR A 98 -6.450 19.746 8.911 1.00 0.00 O ATOM 1442 CB THR A 98 -8.335 17.832 8.137 1.00 0.00 C ATOM 1443 OG1 THR A 98 -8.385 18.036 9.553 1.00 0.00 O ATOM 1444 CG2 THR A 98 -9.103 16.569 7.775 1.00 0.00 C ATOM 0 H THR A 98 -5.917 16.848 9.312 1.00 0.00 H new ATOM 0 HA THR A 98 -6.852 17.511 6.604 1.00 0.00 H new ATOM 0 HB THR A 98 -8.799 18.679 7.631 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.708 18.695 9.813 1.00 0.00 H new ATOM 0 HG21 THR A 98 -10.135 16.660 8.115 1.00 0.00 H new ATOM 0 HG22 THR A 98 -9.088 16.431 6.694 1.00 0.00 H new ATOM 0 HG23 THR A 98 -8.637 15.709 8.257 1.00 0.00 H new ATOM 1452 N SER A 99 -5.295 19.454 7.001 1.00 0.00 N ATOM 1453 CA SER A 99 -4.566 20.711 7.121 1.00 0.00 C ATOM 1454 C SER A 99 -5.492 21.901 6.886 1.00 0.00 C ATOM 1455 O SER A 99 -6.482 21.798 6.163 1.00 0.00 O ATOM 1456 CB SER A 99 -3.406 20.749 6.124 1.00 0.00 C ATOM 1457 OG SER A 99 -2.847 22.048 6.041 1.00 0.00 O ATOM 0 H SER A 99 -5.064 18.910 6.170 1.00 0.00 H new ATOM 0 HA SER A 99 -4.168 20.777 8.134 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.638 20.038 6.428 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.757 20.437 5.140 1.00 0.00 H new ATOM 0 HG SER A 99 -2.107 22.045 5.399 1.00 0.00 H new