USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 521 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 153:sc= -3.9! (180deg=-6.11!) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 21 SER OG : rot 100:sc= -0.522 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -17:sc= 1.26 USER MOD Single : A 47 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.058) USER MOD Single : A 61 TYR OH : rot 68:sc= 0.361 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -115:sc= -4.09! (180deg=-9.05!) USER MOD Single : A 72 HIS : no HD1:sc= -4.71! C(o=-4.7!,f=-4.6!) USER MOD Single : A 73 SER OG : rot 180:sc= -0.206 USER MOD Single : A 74 HIS : no HD1:sc= -8.34! C(o=-8.3!,f=-5.5!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 8 13.835 -2.879 2.049 1.00 0.00 N ATOM 63 CA LEU A 8 13.009 -1.689 2.149 1.00 0.00 C ATOM 64 C LEU A 8 11.769 -1.858 1.268 1.00 0.00 C ATOM 65 O LEU A 8 10.642 -1.753 1.750 1.00 0.00 O ATOM 66 CB LEU A 8 13.828 -0.439 1.824 1.00 0.00 C ATOM 67 CG LEU A 8 14.464 0.276 3.019 1.00 0.00 C ATOM 68 CD1 LEU A 8 15.144 1.574 2.581 1.00 0.00 C ATOM 69 CD2 LEU A 8 13.436 0.512 4.127 1.00 0.00 C ATOM 0 HA LEU A 8 12.658 -1.555 3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.620 -0.718 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.183 0.269 1.304 1.00 0.00 H new ATOM 0 HG LEU A 8 15.239 -0.370 3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.588 2.063 3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.923 1.349 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.406 2.237 2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.914 1.021 4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.623 1.128 3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.038 -0.445 4.464 1.00 0.00 H new ATOM 80 N ARG A 9 12.019 -2.119 -0.007 1.00 0.00 N ATOM 81 CA ARG A 9 10.938 -2.305 -0.959 1.00 0.00 C ATOM 82 C ARG A 9 10.107 -3.533 -0.586 1.00 0.00 C ATOM 83 O ARG A 9 8.897 -3.558 -0.802 1.00 0.00 O ATOM 84 CB ARG A 9 11.479 -2.474 -2.380 1.00 0.00 C ATOM 85 CG ARG A 9 10.337 -2.553 -3.395 1.00 0.00 C ATOM 86 CD ARG A 9 10.497 -3.770 -4.308 1.00 0.00 C ATOM 87 NE ARG A 9 11.636 -3.563 -5.232 1.00 0.00 N ATOM 88 CZ ARG A 9 12.253 -4.550 -5.897 1.00 0.00 C ATOM 89 NH1 ARG A 9 11.844 -5.817 -5.744 1.00 0.00 N ATOM 90 NH2 ARG A 9 13.278 -4.269 -6.713 1.00 0.00 N ATOM 0 H ARG A 9 12.955 -2.206 -0.403 1.00 0.00 H new ATOM 0 HA ARG A 9 10.310 -1.415 -0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.132 -1.637 -2.626 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.085 -3.378 -2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.383 -2.610 -2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.316 -1.644 -3.996 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.662 -4.665 -3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.581 -3.931 -4.877 1.00 0.00 H new ATOM 0 HE ARG A 9 11.972 -2.610 -5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.064 -6.030 -5.122 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.313 -6.569 -6.250 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.589 -3.304 -6.828 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.748 -5.020 -7.219 1.00 0.00 H new ATOM 101 N LYS A 10 10.790 -4.525 -0.033 1.00 0.00 N ATOM 102 CA LYS A 10 10.131 -5.754 0.372 1.00 0.00 C ATOM 103 C LYS A 10 9.200 -5.464 1.550 1.00 0.00 C ATOM 104 O LYS A 10 8.133 -6.066 1.667 1.00 0.00 O ATOM 105 CB LYS A 10 11.163 -6.847 0.658 1.00 0.00 C ATOM 106 CG LYS A 10 10.539 -7.996 1.453 1.00 0.00 C ATOM 107 CD LYS A 10 9.277 -8.518 0.764 1.00 0.00 C ATOM 108 CE LYS A 10 8.119 -8.634 1.757 1.00 0.00 C ATOM 109 NZ LYS A 10 7.789 -10.056 2.007 1.00 0.00 N ATOM 0 H LYS A 10 11.794 -4.502 0.144 1.00 0.00 H new ATOM 0 HA LYS A 10 9.511 -6.138 -0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.566 -7.226 -0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 10 11.999 -6.426 1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.262 -8.805 1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.294 -7.656 2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.998 -7.847 -0.049 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.478 -9.492 0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.386 -8.147 2.695 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.244 -8.115 1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.001 -10.116 2.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.514 -10.511 1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.620 -10.541 2.401 1.00 0.00 H new ATOM 119 N MET A 11 9.637 -4.542 2.396 1.00 0.00 N ATOM 120 CA MET A 11 8.857 -4.165 3.562 1.00 0.00 C ATOM 121 C MET A 11 7.547 -3.488 3.149 1.00 0.00 C ATOM 122 O MET A 11 6.466 -3.944 3.520 1.00 0.00 O ATOM 123 CB MET A 11 9.672 -3.210 4.435 1.00 0.00 C ATOM 124 CG MET A 11 10.338 -3.958 5.593 1.00 0.00 C ATOM 125 SD MET A 11 10.121 -3.047 7.112 1.00 0.00 S ATOM 126 CE MET A 11 11.288 -1.723 6.850 1.00 0.00 C ATOM 0 H MET A 11 10.522 -4.045 2.297 1.00 0.00 H new ATOM 0 HA MET A 11 8.617 -5.068 4.123 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.433 -2.718 3.829 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.023 -2.428 4.828 1.00 0.00 H new ATOM 0 HG2 MET A 11 9.905 -4.953 5.691 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.400 -4.091 5.388 1.00 0.00 H new ATOM 0 HE1 MET A 11 10.972 -0.843 7.411 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.275 -2.035 7.191 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.331 -1.480 5.788 1.00 0.00 H new ATOM 134 N VAL A 12 7.689 -2.414 2.389 1.00 0.00 N ATOM 135 CA VAL A 12 6.530 -1.670 1.922 1.00 0.00 C ATOM 136 C VAL A 12 5.677 -2.571 1.027 1.00 0.00 C ATOM 137 O VAL A 12 4.455 -2.440 0.994 1.00 0.00 O ATOM 138 CB VAL A 12 6.980 -0.386 1.223 1.00 0.00 C ATOM 139 CG1 VAL A 12 8.235 -0.630 0.382 1.00 0.00 C ATOM 140 CG2 VAL A 12 5.853 0.197 0.368 1.00 0.00 C ATOM 0 H VAL A 12 8.588 -2.040 2.084 1.00 0.00 H new ATOM 0 HA VAL A 12 5.907 -1.365 2.763 1.00 0.00 H new ATOM 0 HB VAL A 12 7.229 0.344 1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.534 0.299 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.042 -0.978 1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.024 -1.385 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.199 1.109 -0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.559 -0.529 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.997 0.426 1.002 1.00 0.00 H new ATOM 150 N GLU A 13 6.356 -3.466 0.324 1.00 0.00 N ATOM 151 CA GLU A 13 5.676 -4.388 -0.569 1.00 0.00 C ATOM 152 C GLU A 13 4.486 -5.034 0.142 1.00 0.00 C ATOM 153 O GLU A 13 3.400 -5.140 -0.428 1.00 0.00 O ATOM 154 CB GLU A 13 6.641 -5.451 -1.098 1.00 0.00 C ATOM 155 CG GLU A 13 7.369 -4.956 -2.350 1.00 0.00 C ATOM 156 CD GLU A 13 6.678 -5.457 -3.620 1.00 0.00 C ATOM 157 OE1 GLU A 13 5.437 -5.317 -3.683 1.00 0.00 O ATOM 158 OE2 GLU A 13 7.406 -5.967 -4.499 1.00 0.00 O ATOM 0 H GLU A 13 7.370 -3.572 0.355 1.00 0.00 H new ATOM 0 HA GLU A 13 5.302 -3.826 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.368 -5.704 -0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.091 -6.363 -1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.396 -3.866 -2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.403 -5.301 -2.334 1.00 0.00 H new ATOM 163 N GLU A 14 4.729 -5.449 1.376 1.00 0.00 N ATOM 164 CA GLU A 14 3.689 -6.082 2.171 1.00 0.00 C ATOM 165 C GLU A 14 2.701 -5.033 2.685 1.00 0.00 C ATOM 166 O GLU A 14 1.495 -5.271 2.710 1.00 0.00 O ATOM 167 CB GLU A 14 4.294 -6.880 3.329 1.00 0.00 C ATOM 168 CG GLU A 14 4.386 -6.025 4.594 1.00 0.00 C ATOM 169 CD GLU A 14 5.271 -6.696 5.646 1.00 0.00 C ATOM 170 OE1 GLU A 14 6.188 -7.435 5.228 1.00 0.00 O ATOM 171 OE2 GLU A 14 5.010 -6.456 6.845 1.00 0.00 O ATOM 0 H GLU A 14 5.630 -5.360 1.845 1.00 0.00 H new ATOM 0 HA GLU A 14 3.147 -6.782 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.684 -7.762 3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.287 -7.234 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.791 -5.044 4.345 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.388 -5.864 5.002 1.00 0.00 H new ATOM 176 N VAL A 15 3.250 -3.895 3.082 1.00 0.00 N ATOM 177 CA VAL A 15 2.432 -2.808 3.594 1.00 0.00 C ATOM 178 C VAL A 15 1.240 -2.589 2.660 1.00 0.00 C ATOM 179 O VAL A 15 0.108 -2.926 3.002 1.00 0.00 O ATOM 180 CB VAL A 15 3.285 -1.552 3.779 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.406 -0.311 3.948 1.00 0.00 C ATOM 182 CG2 VAL A 15 4.244 -1.710 4.961 1.00 0.00 C ATOM 0 H VAL A 15 4.251 -3.701 3.060 1.00 0.00 H new ATOM 0 HA VAL A 15 2.033 -3.061 4.577 1.00 0.00 H new ATOM 0 HB VAL A 15 3.883 -1.418 2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.038 0.568 4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.784 -0.183 3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.769 -0.433 4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.839 -0.803 5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.672 -1.882 5.873 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.905 -2.558 4.782 1.00 0.00 H new ATOM 192 N PHE A 16 1.536 -2.025 1.497 1.00 0.00 N ATOM 193 CA PHE A 16 0.504 -1.757 0.511 1.00 0.00 C ATOM 194 C PHE A 16 -0.422 -2.963 0.345 1.00 0.00 C ATOM 195 O PHE A 16 -1.609 -2.804 0.061 1.00 0.00 O ATOM 196 CB PHE A 16 1.213 -1.486 -0.817 1.00 0.00 C ATOM 197 CG PHE A 16 1.799 -0.078 -0.935 1.00 0.00 C ATOM 198 CD1 PHE A 16 1.110 0.988 -0.447 1.00 0.00 C ATOM 199 CD2 PHE A 16 3.009 0.108 -1.528 1.00 0.00 C ATOM 200 CE1 PHE A 16 1.654 2.295 -0.556 1.00 0.00 C ATOM 201 CE2 PHE A 16 3.552 1.415 -1.637 1.00 0.00 C ATOM 202 CZ PHE A 16 2.863 2.481 -1.149 1.00 0.00 C ATOM 0 H PHE A 16 2.476 -1.747 1.216 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.102 -0.909 0.828 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.015 -2.214 -0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.507 -1.644 -1.632 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.149 0.840 0.023 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.556 -0.738 -1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.107 3.142 -0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.513 1.563 -2.108 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.276 3.475 -1.233 1.00 0.00 H new ATOM 211 N ASP A 17 0.154 -4.142 0.529 1.00 0.00 N ATOM 212 CA ASP A 17 -0.605 -5.374 0.403 1.00 0.00 C ATOM 213 C ASP A 17 -1.553 -5.508 1.596 1.00 0.00 C ATOM 214 O ASP A 17 -2.772 -5.527 1.425 1.00 0.00 O ATOM 215 CB ASP A 17 0.321 -6.593 0.395 1.00 0.00 C ATOM 216 CG ASP A 17 0.529 -7.238 -0.976 1.00 0.00 C ATOM 217 OD1 ASP A 17 0.596 -6.471 -1.960 1.00 0.00 O ATOM 218 OD2 ASP A 17 0.616 -8.484 -1.008 1.00 0.00 O ATOM 0 H ASP A 17 1.138 -4.270 0.765 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.158 -5.335 -0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.292 -6.295 0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.084 -7.343 1.075 1.00 0.00 H new ATOM 222 N VAL A 18 -0.959 -5.597 2.776 1.00 0.00 N ATOM 223 CA VAL A 18 -1.736 -5.728 3.997 1.00 0.00 C ATOM 224 C VAL A 18 -2.899 -4.735 3.966 1.00 0.00 C ATOM 225 O VAL A 18 -4.062 -5.134 4.007 1.00 0.00 O ATOM 226 CB VAL A 18 -0.829 -5.549 5.217 1.00 0.00 C ATOM 227 CG1 VAL A 18 -1.632 -5.085 6.434 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.062 -6.837 5.524 1.00 0.00 C ATOM 0 H VAL A 18 0.052 -5.581 2.913 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.164 -6.728 4.071 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.100 -4.774 4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.964 -4.966 7.287 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.111 -4.131 6.212 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.394 -5.827 6.671 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.575 -6.682 6.395 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.769 -7.641 5.729 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.555 -7.106 4.667 1.00 0.00 H new ATOM 238 N LEU A 19 -2.545 -3.461 3.894 1.00 0.00 N ATOM 239 CA LEU A 19 -3.545 -2.407 3.857 1.00 0.00 C ATOM 240 C LEU A 19 -4.665 -2.807 2.893 1.00 0.00 C ATOM 241 O LEU A 19 -5.812 -2.976 3.304 1.00 0.00 O ATOM 242 CB LEU A 19 -2.896 -1.063 3.521 1.00 0.00 C ATOM 243 CG LEU A 19 -1.702 -0.659 4.390 1.00 0.00 C ATOM 244 CD1 LEU A 19 -1.389 0.830 4.234 1.00 0.00 C ATOM 245 CD2 LEU A 19 -1.934 -1.047 5.853 1.00 0.00 C ATOM 0 H LEU A 19 -1.579 -3.134 3.860 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.999 -2.278 4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.571 -1.089 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.656 -0.285 3.598 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.826 -1.209 4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.537 1.090 4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.151 1.045 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.256 1.418 4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.072 -0.749 6.450 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.825 -0.542 6.226 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.071 -2.126 5.926 1.00 0.00 H new ATOM 256 N TYR A 20 -4.292 -2.944 1.630 1.00 0.00 N ATOM 257 CA TYR A 20 -5.251 -3.320 0.604 1.00 0.00 C ATOM 258 C TYR A 20 -6.163 -4.447 1.093 1.00 0.00 C ATOM 259 O TYR A 20 -7.384 -4.351 0.989 1.00 0.00 O ATOM 260 CB TYR A 20 -4.425 -3.826 -0.581 1.00 0.00 C ATOM 261 CG TYR A 20 -5.260 -4.212 -1.803 1.00 0.00 C ATOM 262 CD1 TYR A 20 -6.176 -3.320 -2.322 1.00 0.00 C ATOM 263 CD2 TYR A 20 -5.098 -5.452 -2.386 1.00 0.00 C ATOM 264 CE1 TYR A 20 -6.962 -3.682 -3.472 1.00 0.00 C ATOM 265 CE2 TYR A 20 -5.884 -5.815 -3.536 1.00 0.00 C ATOM 266 CZ TYR A 20 -6.778 -4.912 -4.023 1.00 0.00 C ATOM 267 OH TYR A 20 -7.521 -5.255 -5.110 1.00 0.00 O ATOM 0 H TYR A 20 -3.340 -2.802 1.293 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.883 -2.472 0.341 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.713 -3.053 -0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.844 -4.692 -0.262 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.303 -2.350 -1.865 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.381 -6.150 -1.979 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.682 -2.993 -3.888 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.767 -6.782 -4.002 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.282 -6.161 -5.397 1.00 0.00 H new ATOM 276 N SER A 21 -5.533 -5.491 1.614 1.00 0.00 N ATOM 277 CA SER A 21 -6.273 -6.635 2.119 1.00 0.00 C ATOM 278 C SER A 21 -7.213 -6.195 3.244 1.00 0.00 C ATOM 279 O SER A 21 -8.359 -6.639 3.309 1.00 0.00 O ATOM 280 CB SER A 21 -5.325 -7.728 2.617 1.00 0.00 C ATOM 281 OG SER A 21 -4.797 -8.505 1.546 1.00 0.00 O ATOM 0 H SER A 21 -4.519 -5.568 1.697 1.00 0.00 H new ATOM 0 HA SER A 21 -6.863 -7.048 1.301 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.505 -7.272 3.172 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.856 -8.380 3.311 1.00 0.00 H new ATOM 0 HG SER A 21 -3.892 -8.195 1.332 1.00 0.00 H new ATOM 286 N GLU A 22 -6.694 -5.329 4.102 1.00 0.00 N ATOM 287 CA GLU A 22 -7.472 -4.826 5.220 1.00 0.00 C ATOM 288 C GLU A 22 -8.740 -4.133 4.716 1.00 0.00 C ATOM 289 O GLU A 22 -9.836 -4.403 5.204 1.00 0.00 O ATOM 290 CB GLU A 22 -6.639 -3.880 6.087 1.00 0.00 C ATOM 291 CG GLU A 22 -5.529 -4.639 6.816 1.00 0.00 C ATOM 292 CD GLU A 22 -6.029 -5.194 8.151 1.00 0.00 C ATOM 293 OE1 GLU A 22 -7.022 -5.952 8.114 1.00 0.00 O ATOM 294 OE2 GLU A 22 -5.406 -4.849 9.178 1.00 0.00 O ATOM 0 H GLU A 22 -5.744 -4.963 4.045 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.766 -5.672 5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.202 -3.100 5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.283 -3.385 6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.171 -5.456 6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.682 -3.975 6.989 1.00 0.00 H new ATOM 299 N ALA A 23 -8.547 -3.252 3.743 1.00 0.00 N ATOM 300 CA ALA A 23 -9.661 -2.519 3.167 1.00 0.00 C ATOM 301 C ALA A 23 -10.553 -3.486 2.384 1.00 0.00 C ATOM 302 O ALA A 23 -11.770 -3.317 2.342 1.00 0.00 O ATOM 303 CB ALA A 23 -9.127 -1.382 2.294 1.00 0.00 C ATOM 0 H ALA A 23 -7.636 -3.030 3.340 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.271 -2.070 3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.963 -0.832 1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.525 -0.708 2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.512 -1.795 1.494 1.00 0.00 H new ATOM 309 N LEU A 24 -9.911 -4.476 1.782 1.00 0.00 N ATOM 310 CA LEU A 24 -10.630 -5.469 1.003 1.00 0.00 C ATOM 311 C LEU A 24 -11.379 -6.410 1.950 1.00 0.00 C ATOM 312 O LEU A 24 -12.378 -7.016 1.566 1.00 0.00 O ATOM 313 CB LEU A 24 -9.679 -6.191 0.046 1.00 0.00 C ATOM 314 CG LEU A 24 -9.751 -5.761 -1.422 1.00 0.00 C ATOM 315 CD1 LEU A 24 -8.648 -6.430 -2.244 1.00 0.00 C ATOM 316 CD2 LEU A 24 -11.141 -6.026 -2.003 1.00 0.00 C ATOM 0 H LEU A 24 -8.901 -4.612 1.818 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.378 -4.989 0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.658 -6.042 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.882 -7.260 0.101 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.581 -4.685 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.722 -6.108 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.674 -6.147 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.761 -7.513 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.165 -5.712 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.365 -7.091 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.885 -5.464 -1.438 1.00 0.00 H new ATOM 327 N GLY A 25 -10.867 -6.503 3.168 1.00 0.00 N ATOM 328 CA GLY A 25 -11.475 -7.359 4.172 1.00 0.00 C ATOM 329 C GLY A 25 -11.361 -8.833 3.778 1.00 0.00 C ATOM 330 O GLY A 25 -12.331 -9.583 3.880 1.00 0.00 O ATOM 0 H GLY A 25 -10.038 -5.999 3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.990 -7.198 5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.525 -7.092 4.295 1.00 0.00 H new ATOM 334 N ARG A 26 -10.170 -9.203 3.333 1.00 0.00 N ATOM 335 CA ARG A 26 -9.918 -10.574 2.922 1.00 0.00 C ATOM 336 C ARG A 26 -9.232 -11.349 4.050 1.00 0.00 C ATOM 337 O ARG A 26 -8.900 -10.778 5.087 1.00 0.00 O ATOM 338 CB ARG A 26 -9.038 -10.621 1.672 1.00 0.00 C ATOM 339 CG ARG A 26 -9.707 -9.898 0.502 1.00 0.00 C ATOM 340 CD ARG A 26 -10.254 -10.897 -0.520 1.00 0.00 C ATOM 341 NE ARG A 26 -11.632 -11.292 -0.152 1.00 0.00 N ATOM 342 CZ ARG A 26 -12.253 -12.381 -0.627 1.00 0.00 C ATOM 343 NH1 ARG A 26 -11.622 -13.189 -1.490 1.00 0.00 N ATOM 344 NH2 ARG A 26 -13.504 -12.662 -0.239 1.00 0.00 N ATOM 0 H ARG A 26 -9.369 -8.578 3.248 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.879 -11.034 2.693 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.073 -10.160 1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.843 -11.658 1.399 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.518 -9.271 0.873 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.988 -9.236 0.020 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.248 -10.452 -1.515 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.613 -11.777 -0.560 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.141 -10.699 0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.669 -12.975 -1.785 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.094 -14.018 -1.851 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.984 -12.047 0.418 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.976 -13.491 -0.601 1.00 0.00 H new ATOM 355 N ALA A 27 -9.039 -12.637 3.808 1.00 0.00 N ATOM 356 CA ALA A 27 -8.400 -13.495 4.789 1.00 0.00 C ATOM 357 C ALA A 27 -6.892 -13.526 4.530 1.00 0.00 C ATOM 358 O ALA A 27 -6.097 -13.285 5.437 1.00 0.00 O ATOM 359 CB ALA A 27 -9.029 -14.889 4.736 1.00 0.00 C ATOM 0 H ALA A 27 -9.314 -13.107 2.946 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.553 -13.106 5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.549 -15.533 5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.094 -14.816 4.957 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.893 -15.312 3.741 1.00 0.00 H new ATOM 365 N SER A 28 -6.544 -13.824 3.286 1.00 0.00 N ATOM 366 CA SER A 28 -5.147 -13.888 2.895 1.00 0.00 C ATOM 367 C SER A 28 -4.685 -12.524 2.379 1.00 0.00 C ATOM 368 O SER A 28 -5.504 -11.689 1.998 1.00 0.00 O ATOM 369 CB SER A 28 -4.922 -14.962 1.829 1.00 0.00 C ATOM 370 OG SER A 28 -5.593 -16.179 2.147 1.00 0.00 O ATOM 0 H SER A 28 -7.206 -14.024 2.536 1.00 0.00 H new ATOM 0 HA SER A 28 -4.559 -14.156 3.772 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.274 -14.595 0.865 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.854 -15.153 1.727 1.00 0.00 H new ATOM 0 HG SER A 28 -5.426 -16.839 1.442 1.00 0.00 H new ATOM 375 N VAL A 29 -3.372 -12.339 2.382 1.00 0.00 N ATOM 376 CA VAL A 29 -2.791 -11.091 1.920 1.00 0.00 C ATOM 377 C VAL A 29 -2.596 -11.156 0.404 1.00 0.00 C ATOM 378 O VAL A 29 -1.740 -11.891 -0.085 1.00 0.00 O ATOM 379 CB VAL A 29 -1.493 -10.805 2.678 1.00 0.00 C ATOM 380 CG1 VAL A 29 -0.806 -9.550 2.135 1.00 0.00 C ATOM 381 CG2 VAL A 29 -1.751 -10.683 4.181 1.00 0.00 C ATOM 0 H VAL A 29 -2.695 -13.034 2.697 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.462 -10.257 2.127 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.821 -11.649 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.114 -9.369 2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.571 -9.692 1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.471 -8.694 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.812 -10.480 4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.450 -9.867 4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.175 -11.615 4.554 1.00 0.00 H new ATOM 391 N VAL A 30 -3.405 -10.375 -0.299 1.00 0.00 N ATOM 392 CA VAL A 30 -3.331 -10.333 -1.749 1.00 0.00 C ATOM 393 C VAL A 30 -2.399 -9.198 -2.177 1.00 0.00 C ATOM 394 O VAL A 30 -2.187 -8.248 -1.426 1.00 0.00 O ATOM 395 CB VAL A 30 -4.738 -10.208 -2.341 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.465 -11.553 -2.317 1.00 0.00 C ATOM 397 CG2 VAL A 30 -5.545 -9.134 -1.609 1.00 0.00 C ATOM 0 H VAL A 30 -4.115 -9.767 0.110 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.910 -11.261 -2.137 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.638 -9.902 -3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.461 -11.436 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.903 -12.281 -2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.549 -11.903 -1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.540 -9.064 -2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.631 -9.399 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.040 -8.173 -1.702 1.00 0.00 H new ATOM 407 N PRO A 31 -1.853 -9.339 -3.415 1.00 0.00 N ATOM 408 CA PRO A 31 -0.948 -8.337 -3.952 1.00 0.00 C ATOM 409 C PRO A 31 -1.713 -7.087 -4.393 1.00 0.00 C ATOM 410 O PRO A 31 -2.943 -7.090 -4.434 1.00 0.00 O ATOM 411 CB PRO A 31 -0.230 -9.029 -5.098 1.00 0.00 C ATOM 412 CG PRO A 31 -1.083 -10.234 -5.458 1.00 0.00 C ATOM 413 CD PRO A 31 -2.081 -10.451 -4.332 1.00 0.00 C ATOM 0 HA PRO A 31 -0.233 -7.976 -3.212 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.120 -8.359 -5.951 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.773 -9.335 -4.802 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.602 -10.066 -6.401 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.459 -11.118 -5.591 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.105 -10.453 -4.705 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.920 -11.410 -3.839 1.00 0.00 H new ATOM 418 N LEU A 32 -0.955 -6.049 -4.711 1.00 0.00 N ATOM 419 CA LEU A 32 -1.546 -4.795 -5.149 1.00 0.00 C ATOM 420 C LEU A 32 -1.164 -4.537 -6.607 1.00 0.00 C ATOM 421 O LEU A 32 -0.046 -4.112 -6.894 1.00 0.00 O ATOM 422 CB LEU A 32 -1.157 -3.660 -4.200 1.00 0.00 C ATOM 423 CG LEU A 32 -1.392 -2.241 -4.720 1.00 0.00 C ATOM 424 CD1 LEU A 32 -2.740 -2.137 -5.438 1.00 0.00 C ATOM 425 CD2 LEU A 32 -1.263 -1.215 -3.593 1.00 0.00 C ATOM 0 H LEU A 32 0.064 -6.050 -4.674 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.634 -4.852 -5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.715 -3.782 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.100 -3.765 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.618 -2.013 -5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.883 -1.118 -5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.757 -2.826 -6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.542 -2.393 -4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.435 -0.215 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.000 -1.430 -2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.262 -1.268 -3.165 1.00 0.00 H new ATOM 436 N PRO A 33 -2.139 -4.812 -7.515 1.00 0.00 N ATOM 437 CA PRO A 33 -1.916 -4.614 -8.936 1.00 0.00 C ATOM 438 C PRO A 33 -1.954 -3.127 -9.295 1.00 0.00 C ATOM 439 O PRO A 33 -2.975 -2.622 -9.758 1.00 0.00 O ATOM 440 CB PRO A 33 -3.009 -5.418 -9.622 1.00 0.00 C ATOM 441 CG PRO A 33 -4.076 -5.656 -8.566 1.00 0.00 C ATOM 442 CD PRO A 33 -3.475 -5.317 -7.212 1.00 0.00 C ATOM 0 HA PRO A 33 -0.930 -4.951 -9.258 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.417 -4.875 -10.474 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.619 -6.362 -10.003 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.951 -5.036 -8.761 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.409 -6.694 -8.587 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.072 -4.569 -6.690 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.430 -6.195 -6.568 1.00 0.00 H new ATOM 447 N TYR A 34 -0.826 -2.468 -9.069 1.00 0.00 N ATOM 448 CA TYR A 34 -0.717 -1.049 -9.363 1.00 0.00 C ATOM 449 C TYR A 34 -1.023 -0.770 -10.835 1.00 0.00 C ATOM 450 O TYR A 34 -1.827 0.106 -11.151 1.00 0.00 O ATOM 451 CB TYR A 34 0.737 -0.669 -9.074 1.00 0.00 C ATOM 452 CG TYR A 34 1.193 -0.990 -7.650 1.00 0.00 C ATOM 453 CD1 TYR A 34 0.981 -0.078 -6.636 1.00 0.00 C ATOM 454 CD2 TYR A 34 1.815 -2.192 -7.378 1.00 0.00 C ATOM 455 CE1 TYR A 34 1.410 -0.381 -5.294 1.00 0.00 C ATOM 456 CE2 TYR A 34 2.245 -2.494 -6.038 1.00 0.00 C ATOM 457 CZ TYR A 34 2.021 -1.574 -5.062 1.00 0.00 C ATOM 458 OH TYR A 34 2.426 -1.859 -3.796 1.00 0.00 O ATOM 0 H TYR A 34 0.020 -2.891 -8.686 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.425 -0.477 -8.764 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.385 -1.191 -9.778 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.865 0.398 -9.254 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.494 0.862 -6.848 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.979 -2.906 -8.171 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.250 0.323 -4.491 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.734 -3.430 -5.813 1.00 0.00 H new ATOM 0 HH TYR A 34 2.456 -1.034 -3.268 1.00 0.00 H new ATOM 467 N GLU A 35 -0.363 -1.529 -11.698 1.00 0.00 N ATOM 468 CA GLU A 35 -0.554 -1.373 -13.130 1.00 0.00 C ATOM 469 C GLU A 35 -2.037 -1.177 -13.450 1.00 0.00 C ATOM 470 O GLU A 35 -2.382 -0.513 -14.427 1.00 0.00 O ATOM 471 CB GLU A 35 0.017 -2.570 -13.892 1.00 0.00 C ATOM 472 CG GLU A 35 -0.739 -3.854 -13.544 1.00 0.00 C ATOM 473 CD GLU A 35 -0.170 -5.050 -14.309 1.00 0.00 C ATOM 474 OE1 GLU A 35 -0.175 -4.980 -15.557 1.00 0.00 O ATOM 475 OE2 GLU A 35 0.256 -6.010 -13.630 1.00 0.00 O ATOM 0 H GLU A 35 0.304 -2.253 -11.433 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.012 -0.485 -13.454 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.046 -2.386 -14.965 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.073 -2.689 -13.650 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.674 -4.039 -12.472 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.796 -3.734 -13.783 1.00 0.00 H new ATOM 480 N ARG A 36 -2.874 -1.765 -12.609 1.00 0.00 N ATOM 481 CA ARG A 36 -4.313 -1.664 -12.789 1.00 0.00 C ATOM 482 C ARG A 36 -4.869 -0.497 -11.970 1.00 0.00 C ATOM 483 O ARG A 36 -5.359 0.483 -12.531 1.00 0.00 O ATOM 484 CB ARG A 36 -5.014 -2.956 -12.365 1.00 0.00 C ATOM 485 CG ARG A 36 -5.207 -3.892 -13.560 1.00 0.00 C ATOM 486 CD ARG A 36 -6.468 -3.525 -14.346 1.00 0.00 C ATOM 487 NE ARG A 36 -7.182 -4.753 -14.758 1.00 0.00 N ATOM 488 CZ ARG A 36 -8.155 -4.783 -15.679 1.00 0.00 C ATOM 489 NH1 ARG A 36 -8.536 -3.653 -16.288 1.00 0.00 N ATOM 490 NH2 ARG A 36 -8.749 -5.944 -15.990 1.00 0.00 N ATOM 0 H ARG A 36 -2.583 -2.314 -11.800 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.503 -1.493 -13.848 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.426 -3.458 -11.597 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.982 -2.721 -11.923 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.337 -3.836 -14.214 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.278 -4.922 -13.212 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.121 -2.903 -13.733 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.201 -2.938 -15.224 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.917 -5.632 -14.313 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.086 -2.769 -16.051 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.277 -3.676 -16.989 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.460 -6.805 -15.526 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.490 -5.966 -16.691 1.00 0.00 H new ATOM 501 N LEU A 37 -4.775 -0.641 -10.656 1.00 0.00 N ATOM 502 CA LEU A 37 -5.263 0.389 -9.754 1.00 0.00 C ATOM 503 C LEU A 37 -4.811 1.760 -10.260 1.00 0.00 C ATOM 504 O LEU A 37 -5.559 2.733 -10.178 1.00 0.00 O ATOM 505 CB LEU A 37 -4.832 0.090 -8.317 1.00 0.00 C ATOM 506 CG LEU A 37 -5.098 -1.331 -7.818 1.00 0.00 C ATOM 507 CD1 LEU A 37 -5.278 -1.354 -6.298 1.00 0.00 C ATOM 508 CD2 LEU A 37 -6.293 -1.952 -8.545 1.00 0.00 C ATOM 0 H LEU A 37 -4.368 -1.455 -10.195 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.353 0.398 -9.740 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.764 0.290 -8.230 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.342 0.788 -7.653 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.226 -1.943 -8.049 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.466 -2.376 -5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.374 -0.979 -5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.123 -0.723 -6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.461 -2.962 -8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.182 -1.347 -8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.088 -1.990 -9.615 1.00 0.00 H new ATOM 519 N LEU A 38 -3.589 1.794 -10.771 1.00 0.00 N ATOM 520 CA LEU A 38 -3.028 3.029 -11.290 1.00 0.00 C ATOM 521 C LEU A 38 -3.927 3.561 -12.410 1.00 0.00 C ATOM 522 O LEU A 38 -4.200 4.758 -12.474 1.00 0.00 O ATOM 523 CB LEU A 38 -1.574 2.821 -11.717 1.00 0.00 C ATOM 524 CG LEU A 38 -0.578 2.542 -10.588 1.00 0.00 C ATOM 525 CD1 LEU A 38 0.755 2.039 -11.145 1.00 0.00 C ATOM 526 CD2 LEU A 38 -0.399 3.774 -9.699 1.00 0.00 C ATOM 0 H LEU A 38 -2.971 0.985 -10.837 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.001 3.791 -10.511 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.538 1.989 -12.421 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.243 3.709 -12.256 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.985 1.749 -9.961 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.444 1.848 -10.322 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.592 1.117 -11.703 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.180 2.793 -11.808 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.313 3.549 -8.905 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.025 4.604 -10.298 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.358 4.048 -9.259 1.00 0.00 H new ATOM 537 N ARG A 39 -4.360 2.645 -13.262 1.00 0.00 N ATOM 538 CA ARG A 39 -5.222 3.007 -14.376 1.00 0.00 C ATOM 539 C ARG A 39 -6.475 3.720 -13.866 1.00 0.00 C ATOM 540 O ARG A 39 -6.907 4.714 -14.448 1.00 0.00 O ATOM 541 CB ARG A 39 -5.636 1.770 -15.176 1.00 0.00 C ATOM 542 CG ARG A 39 -6.555 2.152 -16.338 1.00 0.00 C ATOM 543 CD ARG A 39 -6.611 1.036 -17.382 1.00 0.00 C ATOM 544 NE ARG A 39 -7.441 1.458 -18.533 1.00 0.00 N ATOM 545 CZ ARG A 39 -7.592 0.742 -19.654 1.00 0.00 C ATOM 546 NH1 ARG A 39 -6.971 -0.439 -19.783 1.00 0.00 N ATOM 547 NH2 ARG A 39 -8.365 1.204 -20.646 1.00 0.00 N ATOM 0 H ARG A 39 -4.131 1.653 -13.205 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.660 3.675 -15.028 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.749 1.267 -15.560 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.146 1.063 -14.522 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.558 2.354 -15.962 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.198 3.071 -16.802 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.604 0.792 -17.720 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.025 0.131 -16.937 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.929 2.351 -18.468 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.384 -0.792 -19.027 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.086 -0.985 -20.637 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.839 2.102 -20.547 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.480 0.658 -21.500 1.00 0.00 H new ATOM 558 N GLU A 40 -7.024 3.185 -12.785 1.00 0.00 N ATOM 559 CA GLU A 40 -8.219 3.759 -12.191 1.00 0.00 C ATOM 560 C GLU A 40 -7.955 4.148 -10.735 1.00 0.00 C ATOM 561 O GLU A 40 -7.886 3.286 -9.861 1.00 0.00 O ATOM 562 CB GLU A 40 -9.400 2.792 -12.293 1.00 0.00 C ATOM 563 CG GLU A 40 -8.920 1.339 -12.311 1.00 0.00 C ATOM 564 CD GLU A 40 -10.085 0.380 -12.567 1.00 0.00 C ATOM 565 OE1 GLU A 40 -11.111 0.535 -11.870 1.00 0.00 O ATOM 566 OE2 GLU A 40 -9.921 -0.486 -13.452 1.00 0.00 O ATOM 0 H GLU A 40 -6.663 2.360 -12.305 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.479 4.660 -12.746 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.074 2.946 -11.450 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.969 3.002 -13.199 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.163 1.212 -13.085 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.447 1.097 -11.359 1.00 0.00 H new ATOM 571 N PRO A 41 -7.808 5.482 -10.515 1.00 0.00 N ATOM 572 CA PRO A 41 -7.552 5.996 -9.180 1.00 0.00 C ATOM 573 C PRO A 41 -8.820 5.959 -8.325 1.00 0.00 C ATOM 574 O PRO A 41 -8.746 5.934 -7.097 1.00 0.00 O ATOM 575 CB PRO A 41 -7.022 7.405 -9.396 1.00 0.00 C ATOM 576 CG PRO A 41 -7.438 7.794 -10.805 1.00 0.00 C ATOM 577 CD PRO A 41 -7.882 6.532 -11.526 1.00 0.00 C ATOM 0 HA PRO A 41 -6.830 5.393 -8.629 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.437 8.095 -8.661 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.938 7.436 -9.286 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.249 8.522 -10.776 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.607 8.263 -11.333 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.894 6.635 -11.917 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.234 6.312 -12.374 1.00 0.00 H new ATOM 582 N GLY A 42 -9.955 5.956 -9.008 1.00 0.00 N ATOM 583 CA GLY A 42 -11.238 5.922 -8.327 1.00 0.00 C ATOM 584 C GLY A 42 -11.508 4.537 -7.734 1.00 0.00 C ATOM 585 O GLY A 42 -12.208 4.413 -6.730 1.00 0.00 O ATOM 0 H GLY A 42 -10.013 5.977 -10.026 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.253 6.670 -7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.032 6.183 -9.027 1.00 0.00 H new ATOM 589 N LEU A 43 -10.938 3.531 -8.381 1.00 0.00 N ATOM 590 CA LEU A 43 -11.109 2.160 -7.930 1.00 0.00 C ATOM 591 C LEU A 43 -10.513 2.011 -6.529 1.00 0.00 C ATOM 592 O LEU A 43 -11.103 1.364 -5.665 1.00 0.00 O ATOM 593 CB LEU A 43 -10.525 1.184 -8.954 1.00 0.00 C ATOM 594 CG LEU A 43 -11.031 -0.258 -8.870 1.00 0.00 C ATOM 595 CD1 LEU A 43 -12.512 -0.342 -9.247 1.00 0.00 C ATOM 596 CD2 LEU A 43 -10.169 -1.193 -9.721 1.00 0.00 C ATOM 0 H LEU A 43 -10.358 3.638 -9.213 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.168 1.912 -7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.738 1.565 -9.953 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.441 1.175 -8.841 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.942 -0.591 -7.836 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.847 -1.377 -9.179 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.097 0.274 -8.564 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.649 0.017 -10.267 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.551 -2.211 -9.643 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.202 -0.872 -10.762 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.139 -1.163 -9.365 1.00 0.00 H new ATOM 607 N LEU A 44 -9.351 2.621 -6.346 1.00 0.00 N ATOM 608 CA LEU A 44 -8.668 2.564 -5.064 1.00 0.00 C ATOM 609 C LEU A 44 -7.739 3.771 -4.932 1.00 0.00 C ATOM 610 O LEU A 44 -6.726 3.858 -5.624 1.00 0.00 O ATOM 611 CB LEU A 44 -7.959 1.219 -4.894 1.00 0.00 C ATOM 612 CG LEU A 44 -6.951 1.133 -3.747 1.00 0.00 C ATOM 613 CD1 LEU A 44 -7.480 1.840 -2.497 1.00 0.00 C ATOM 614 CD2 LEU A 44 -6.564 -0.319 -3.463 1.00 0.00 C ATOM 0 H LEU A 44 -8.865 3.158 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.386 2.624 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.715 0.448 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.442 0.983 -5.824 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.043 1.654 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.744 1.764 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.663 2.891 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.411 1.370 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.846 -0.351 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.454 -0.886 -3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.116 -0.757 -4.355 1.00 0.00 H new ATOM 625 N ALA A 45 -8.116 4.673 -4.038 1.00 0.00 N ATOM 626 CA ALA A 45 -7.327 5.871 -3.806 1.00 0.00 C ATOM 627 C ALA A 45 -6.455 5.671 -2.565 1.00 0.00 C ATOM 628 O ALA A 45 -6.948 5.260 -1.516 1.00 0.00 O ATOM 629 CB ALA A 45 -8.259 7.078 -3.676 1.00 0.00 C ATOM 0 H ALA A 45 -8.957 4.598 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.662 6.061 -4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.668 7.977 -3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.834 7.194 -4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.940 6.924 -2.839 1.00 0.00 H new ATOM 635 N VAL A 46 -5.175 5.973 -2.725 1.00 0.00 N ATOM 636 CA VAL A 46 -4.231 5.831 -1.631 1.00 0.00 C ATOM 637 C VAL A 46 -4.057 7.182 -0.934 1.00 0.00 C ATOM 638 O VAL A 46 -3.653 8.160 -1.561 1.00 0.00 O ATOM 639 CB VAL A 46 -2.912 5.253 -2.149 1.00 0.00 C ATOM 640 CG1 VAL A 46 -1.920 5.038 -1.004 1.00 0.00 C ATOM 641 CG2 VAL A 46 -3.149 3.953 -2.921 1.00 0.00 C ATOM 0 H VAL A 46 -4.770 6.316 -3.596 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.610 5.128 -0.889 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.476 5.977 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.991 4.627 -1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.716 5.991 -0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.345 4.343 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.196 3.563 -3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.618 3.220 -2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.803 4.149 -3.771 1.00 0.00 H new ATOM 651 N GLN A 47 -4.371 7.193 0.353 1.00 0.00 N ATOM 652 CA GLN A 47 -4.256 8.408 1.142 1.00 0.00 C ATOM 653 C GLN A 47 -3.239 8.214 2.268 1.00 0.00 C ATOM 654 O GLN A 47 -2.839 7.089 2.562 1.00 0.00 O ATOM 655 CB GLN A 47 -5.617 8.832 1.697 1.00 0.00 C ATOM 656 CG GLN A 47 -6.308 9.822 0.758 1.00 0.00 C ATOM 657 CD GLN A 47 -5.732 11.230 0.923 1.00 0.00 C ATOM 658 OE1 GLN A 47 -6.108 11.981 1.809 1.00 0.00 O ATOM 659 NE2 GLN A 47 -4.804 11.544 0.025 1.00 0.00 N ATOM 0 H GLN A 47 -4.705 6.379 0.870 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.901 9.209 0.493 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.248 7.954 1.833 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.488 9.287 2.679 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.186 9.494 -0.274 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.378 9.837 0.964 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.537 10.867 -0.690 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.359 12.462 0.051 1.00 0.00 H new ATOM 666 N GLY A 48 -2.849 9.330 2.869 1.00 0.00 N ATOM 667 CA GLY A 48 -1.887 9.297 3.957 1.00 0.00 C ATOM 668 C GLY A 48 -0.512 8.847 3.460 1.00 0.00 C ATOM 669 O GLY A 48 0.244 8.216 4.198 1.00 0.00 O ATOM 0 H GLY A 48 -3.182 10.262 2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.809 10.286 4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.236 8.619 4.735 1.00 0.00 H new ATOM 673 N LEU A 49 -0.230 9.187 2.210 1.00 0.00 N ATOM 674 CA LEU A 49 1.042 8.826 1.606 1.00 0.00 C ATOM 675 C LEU A 49 2.136 9.755 2.135 1.00 0.00 C ATOM 676 O LEU A 49 1.842 10.788 2.737 1.00 0.00 O ATOM 677 CB LEU A 49 0.925 8.818 0.080 1.00 0.00 C ATOM 678 CG LEU A 49 0.529 7.485 -0.555 1.00 0.00 C ATOM 679 CD1 LEU A 49 -0.150 7.704 -1.909 1.00 0.00 C ATOM 680 CD2 LEU A 49 1.734 6.549 -0.663 1.00 0.00 C ATOM 0 H LEU A 49 -0.860 9.708 1.600 1.00 0.00 H new ATOM 0 HA LEU A 49 1.324 7.811 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.191 9.569 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.882 9.127 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.198 6.999 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.422 6.740 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.048 8.307 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.536 8.221 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.424 5.608 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.502 7.015 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.135 6.356 0.332 1.00 0.00 H new ATOM 691 N PRO A 50 3.408 9.346 1.886 1.00 0.00 N ATOM 692 CA PRO A 50 4.548 10.130 2.330 1.00 0.00 C ATOM 693 C PRO A 50 4.738 11.369 1.452 1.00 0.00 C ATOM 694 O PRO A 50 5.262 11.272 0.344 1.00 0.00 O ATOM 695 CB PRO A 50 5.729 9.175 2.274 1.00 0.00 C ATOM 696 CG PRO A 50 5.300 8.036 1.364 1.00 0.00 C ATOM 697 CD PRO A 50 3.794 8.130 1.177 1.00 0.00 C ATOM 0 HA PRO A 50 4.420 10.524 3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.616 9.674 1.884 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.981 8.807 3.268 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.809 8.103 0.402 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.571 7.075 1.801 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.529 8.186 0.121 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.289 7.255 1.587 1.00 0.00 H new ATOM 702 N GLU A 51 4.300 12.502 1.980 1.00 0.00 N ATOM 703 CA GLU A 51 4.415 13.757 1.258 1.00 0.00 C ATOM 704 C GLU A 51 5.666 13.751 0.376 1.00 0.00 C ATOM 705 O GLU A 51 6.681 13.158 0.739 1.00 0.00 O ATOM 706 CB GLU A 51 4.430 14.945 2.221 1.00 0.00 C ATOM 707 CG GLU A 51 3.017 15.276 2.706 1.00 0.00 C ATOM 708 CD GLU A 51 2.598 16.678 2.259 1.00 0.00 C ATOM 709 OE1 GLU A 51 3.182 17.643 2.798 1.00 0.00 O ATOM 710 OE2 GLU A 51 1.703 16.753 1.390 1.00 0.00 O ATOM 0 H GLU A 51 3.865 12.577 2.899 1.00 0.00 H new ATOM 0 HA GLU A 51 3.541 13.864 0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.067 14.717 3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.861 15.815 1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.313 14.541 2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.977 15.210 3.793 1.00 0.00 H new ATOM 715 N GLY A 52 5.552 14.415 -0.764 1.00 0.00 N ATOM 716 CA GLY A 52 6.661 14.493 -1.699 1.00 0.00 C ATOM 717 C GLY A 52 6.874 13.155 -2.410 1.00 0.00 C ATOM 718 O GLY A 52 8.008 12.712 -2.581 1.00 0.00 O ATOM 0 H GLY A 52 4.708 14.904 -1.062 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.467 15.273 -2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.570 14.775 -1.168 1.00 0.00 H new ATOM 722 N LEU A 53 5.763 12.549 -2.806 1.00 0.00 N ATOM 723 CA LEU A 53 5.814 11.271 -3.494 1.00 0.00 C ATOM 724 C LEU A 53 4.557 11.107 -4.350 1.00 0.00 C ATOM 725 O LEU A 53 3.794 12.057 -4.528 1.00 0.00 O ATOM 726 CB LEU A 53 6.030 10.132 -2.495 1.00 0.00 C ATOM 727 CG LEU A 53 7.484 9.730 -2.242 1.00 0.00 C ATOM 728 CD1 LEU A 53 7.591 8.784 -1.044 1.00 0.00 C ATOM 729 CD2 LEU A 53 8.116 9.132 -3.501 1.00 0.00 C ATOM 0 H LEU A 53 4.824 12.920 -2.663 1.00 0.00 H new ATOM 0 HA LEU A 53 6.668 11.237 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.582 10.420 -1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.488 9.256 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 53 8.048 10.629 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.635 8.514 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.206 9.280 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.008 7.883 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.149 8.855 -3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.557 8.247 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.092 9.868 -4.305 1.00 0.00 H new ATOM 740 N ALA A 54 4.378 9.896 -4.857 1.00 0.00 N ATOM 741 CA ALA A 54 3.225 9.597 -5.690 1.00 0.00 C ATOM 742 C ALA A 54 2.924 8.098 -5.617 1.00 0.00 C ATOM 743 O ALA A 54 3.840 7.278 -5.595 1.00 0.00 O ATOM 744 CB ALA A 54 3.493 10.068 -7.121 1.00 0.00 C ATOM 0 H ALA A 54 5.012 9.111 -4.707 1.00 0.00 H new ATOM 0 HA ALA A 54 2.344 10.129 -5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.628 9.844 -7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.673 11.143 -7.123 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.369 9.553 -7.515 1.00 0.00 H new ATOM 750 N PHE A 55 1.637 7.786 -5.581 1.00 0.00 N ATOM 751 CA PHE A 55 1.204 6.401 -5.510 1.00 0.00 C ATOM 752 C PHE A 55 1.716 5.605 -6.712 1.00 0.00 C ATOM 753 O PHE A 55 1.278 5.826 -7.841 1.00 0.00 O ATOM 754 CB PHE A 55 -0.326 6.410 -5.533 1.00 0.00 C ATOM 755 CG PHE A 55 -0.952 5.031 -5.755 1.00 0.00 C ATOM 756 CD1 PHE A 55 -0.544 3.971 -5.006 1.00 0.00 C ATOM 757 CD2 PHE A 55 -1.916 4.866 -6.700 1.00 0.00 C ATOM 758 CE1 PHE A 55 -1.125 2.691 -5.211 1.00 0.00 C ATOM 759 CE2 PHE A 55 -2.497 3.586 -6.905 1.00 0.00 C ATOM 760 CZ PHE A 55 -2.090 2.526 -6.156 1.00 0.00 C ATOM 0 H PHE A 55 0.880 8.469 -5.600 1.00 0.00 H new ATOM 0 HA PHE A 55 1.595 5.934 -4.606 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.691 6.816 -4.590 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.664 7.082 -6.322 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.222 4.103 -4.256 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.240 5.708 -7.294 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.801 1.849 -4.617 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.262 3.454 -7.656 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.533 1.553 -6.311 1.00 0.00 H new ATOM 769 N ARG A 56 2.636 4.695 -6.430 1.00 0.00 N ATOM 770 CA ARG A 56 3.213 3.864 -7.473 1.00 0.00 C ATOM 771 C ARG A 56 3.926 2.658 -6.859 1.00 0.00 C ATOM 772 O ARG A 56 4.187 2.633 -5.657 1.00 0.00 O ATOM 773 CB ARG A 56 4.208 4.658 -8.323 1.00 0.00 C ATOM 774 CG ARG A 56 4.892 5.746 -7.492 1.00 0.00 C ATOM 775 CD ARG A 56 6.364 5.891 -7.885 1.00 0.00 C ATOM 776 NE ARG A 56 6.470 6.423 -9.261 1.00 0.00 N ATOM 777 CZ ARG A 56 7.574 6.993 -9.763 1.00 0.00 C ATOM 778 NH1 ARG A 56 8.673 7.108 -9.004 1.00 0.00 N ATOM 779 NH2 ARG A 56 7.580 7.448 -11.023 1.00 0.00 N ATOM 0 H ARG A 56 2.997 4.515 -5.493 1.00 0.00 H new ATOM 0 HA ARG A 56 2.399 3.522 -8.112 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.959 3.984 -8.735 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.689 5.112 -9.167 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.378 6.696 -7.636 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.817 5.501 -6.433 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.871 6.558 -7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.863 4.924 -7.821 1.00 0.00 H new ATOM 0 HE ARG A 56 5.652 6.352 -9.866 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.669 6.762 -8.045 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.513 7.542 -9.386 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.744 7.361 -11.601 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.421 7.882 -11.405 1.00 0.00 H new ATOM 790 N ARG A 57 4.222 1.688 -7.711 1.00 0.00 N ATOM 791 CA ARG A 57 4.900 0.483 -7.267 1.00 0.00 C ATOM 792 C ARG A 57 5.969 0.827 -6.229 1.00 0.00 C ATOM 793 O ARG A 57 6.547 1.913 -6.263 1.00 0.00 O ATOM 794 CB ARG A 57 5.556 -0.245 -8.442 1.00 0.00 C ATOM 795 CG ARG A 57 4.843 -1.566 -8.736 1.00 0.00 C ATOM 796 CD ARG A 57 5.189 -2.077 -10.135 1.00 0.00 C ATOM 797 NE ARG A 57 4.908 -3.527 -10.229 1.00 0.00 N ATOM 798 CZ ARG A 57 5.758 -4.484 -9.835 1.00 0.00 C ATOM 799 NH1 ARG A 57 6.948 -4.152 -9.317 1.00 0.00 N ATOM 800 NH2 ARG A 57 5.418 -5.774 -9.958 1.00 0.00 N ATOM 0 H ARG A 57 4.004 1.712 -8.707 1.00 0.00 H new ATOM 0 HA ARG A 57 4.152 -0.172 -6.820 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.532 0.390 -9.327 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.605 -0.436 -8.216 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.128 -2.310 -7.992 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.765 -1.428 -8.652 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.608 -1.537 -10.882 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.241 -1.887 -10.350 1.00 0.00 H new ATOM 0 HE ARG A 57 4.011 -3.816 -10.618 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.207 -3.170 -9.223 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.595 -4.881 -9.017 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.512 -6.027 -10.352 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.065 -6.503 -9.658 1.00 0.00 H new ATOM 811 N PRO A 58 6.208 -0.143 -5.305 1.00 0.00 N ATOM 812 CA PRO A 58 7.198 0.047 -4.259 1.00 0.00 C ATOM 813 C PRO A 58 8.617 -0.086 -4.815 1.00 0.00 C ATOM 814 O PRO A 58 9.572 0.402 -4.213 1.00 0.00 O ATOM 815 CB PRO A 58 6.869 -1.004 -3.211 1.00 0.00 C ATOM 816 CG PRO A 58 6.008 -2.040 -3.916 1.00 0.00 C ATOM 817 CD PRO A 58 5.544 -1.441 -5.233 1.00 0.00 C ATOM 0 HA PRO A 58 7.165 1.047 -3.826 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.777 -1.456 -2.813 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.337 -0.562 -2.368 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.576 -2.953 -4.091 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.153 -2.311 -3.297 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.821 -2.075 -6.075 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.460 -1.333 -5.259 1.00 0.00 H new ATOM 822 N ALA A 59 8.709 -0.749 -5.958 1.00 0.00 N ATOM 823 CA ALA A 59 9.997 -0.952 -6.603 1.00 0.00 C ATOM 824 C ALA A 59 10.325 0.265 -7.470 1.00 0.00 C ATOM 825 O ALA A 59 11.479 0.472 -7.843 1.00 0.00 O ATOM 826 CB ALA A 59 9.963 -2.252 -7.410 1.00 0.00 C ATOM 0 H ALA A 59 7.914 -1.152 -6.454 1.00 0.00 H new ATOM 0 HA ALA A 59 10.789 -1.050 -5.860 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.928 -2.405 -7.894 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.754 -3.089 -6.743 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.183 -2.189 -8.168 1.00 0.00 H new ATOM 832 N GLU A 60 9.290 1.037 -7.765 1.00 0.00 N ATOM 833 CA GLU A 60 9.455 2.229 -8.582 1.00 0.00 C ATOM 834 C GLU A 60 9.811 3.429 -7.704 1.00 0.00 C ATOM 835 O GLU A 60 10.347 4.423 -8.193 1.00 0.00 O ATOM 836 CB GLU A 60 8.196 2.506 -9.407 1.00 0.00 C ATOM 837 CG GLU A 60 8.043 1.483 -10.534 1.00 0.00 C ATOM 838 CD GLU A 60 8.117 2.163 -11.904 1.00 0.00 C ATOM 839 OE1 GLU A 60 7.279 3.061 -12.138 1.00 0.00 O ATOM 840 OE2 GLU A 60 9.008 1.768 -12.686 1.00 0.00 O ATOM 0 H GLU A 60 8.335 0.862 -7.454 1.00 0.00 H new ATOM 0 HA GLU A 60 10.276 2.058 -9.279 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.319 2.474 -8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.246 3.511 -9.827 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.826 0.729 -10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.090 0.964 -10.432 1.00 0.00 H new ATOM 845 N TYR A 61 9.499 3.298 -6.423 1.00 0.00 N ATOM 846 CA TYR A 61 9.780 4.360 -5.471 1.00 0.00 C ATOM 847 C TYR A 61 11.285 4.503 -5.237 1.00 0.00 C ATOM 848 O TYR A 61 12.066 3.654 -5.663 1.00 0.00 O ATOM 849 CB TYR A 61 9.109 3.941 -4.162 1.00 0.00 C ATOM 850 CG TYR A 61 7.719 4.544 -3.954 1.00 0.00 C ATOM 851 CD1 TYR A 61 7.467 5.847 -4.334 1.00 0.00 C ATOM 852 CD2 TYR A 61 6.715 3.784 -3.388 1.00 0.00 C ATOM 853 CE1 TYR A 61 6.158 6.414 -4.139 1.00 0.00 C ATOM 854 CE2 TYR A 61 5.406 4.352 -3.192 1.00 0.00 C ATOM 855 CZ TYR A 61 5.192 5.639 -3.578 1.00 0.00 C ATOM 856 OH TYR A 61 3.956 6.174 -3.393 1.00 0.00 O ATOM 0 H TYR A 61 9.054 2.472 -6.022 1.00 0.00 H new ATOM 0 HA TYR A 61 9.411 5.316 -5.842 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.029 2.854 -4.138 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.748 4.232 -3.329 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.252 6.441 -4.778 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.911 2.764 -3.092 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.948 7.432 -4.432 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.612 3.769 -2.749 1.00 0.00 H new ATOM 0 HH TYR A 61 3.532 6.327 -4.263 1.00 0.00 H new ATOM 865 N ASP A 62 11.646 5.583 -4.561 1.00 0.00 N ATOM 866 CA ASP A 62 13.044 5.847 -4.264 1.00 0.00 C ATOM 867 C ASP A 62 13.443 5.095 -2.993 1.00 0.00 C ATOM 868 O ASP A 62 12.629 4.381 -2.408 1.00 0.00 O ATOM 869 CB ASP A 62 13.283 7.339 -4.025 1.00 0.00 C ATOM 870 CG ASP A 62 12.120 8.252 -4.417 1.00 0.00 C ATOM 871 OD1 ASP A 62 11.799 8.273 -5.625 1.00 0.00 O ATOM 872 OD2 ASP A 62 11.579 8.907 -3.501 1.00 0.00 O ATOM 0 H ASP A 62 10.995 6.286 -4.210 1.00 0.00 H new ATOM 0 HA ASP A 62 13.638 5.518 -5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.504 7.491 -2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.168 7.644 -4.583 1.00 0.00 H new ATOM 876 N PRO A 63 14.729 5.284 -2.592 1.00 0.00 N ATOM 877 CA PRO A 63 15.246 4.631 -1.401 1.00 0.00 C ATOM 878 C PRO A 63 14.714 5.303 -0.133 1.00 0.00 C ATOM 879 O PRO A 63 14.189 4.635 0.754 1.00 0.00 O ATOM 880 CB PRO A 63 16.757 4.717 -1.530 1.00 0.00 C ATOM 881 CG PRO A 63 17.027 5.814 -2.546 1.00 0.00 C ATOM 882 CD PRO A 63 15.721 6.121 -3.260 1.00 0.00 C ATOM 0 HA PRO A 63 14.926 3.592 -1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.218 4.951 -0.571 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.175 3.767 -1.861 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.410 6.706 -2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.786 5.494 -3.260 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.465 7.178 -3.181 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.786 5.887 -4.323 1.00 0.00 H new ATOM 887 N LYS A 64 14.871 6.619 -0.090 1.00 0.00 N ATOM 888 CA LYS A 64 14.414 7.389 1.055 1.00 0.00 C ATOM 889 C LYS A 64 12.886 7.351 1.112 1.00 0.00 C ATOM 890 O LYS A 64 12.296 7.518 2.178 1.00 0.00 O ATOM 891 CB LYS A 64 14.994 8.805 1.013 1.00 0.00 C ATOM 892 CG LYS A 64 16.446 8.817 1.494 1.00 0.00 C ATOM 893 CD LYS A 64 17.405 9.097 0.335 1.00 0.00 C ATOM 894 CE LYS A 64 18.835 8.689 0.695 1.00 0.00 C ATOM 895 NZ LYS A 64 19.660 8.559 -0.527 1.00 0.00 N ATOM 0 H LYS A 64 15.308 7.170 -0.829 1.00 0.00 H new ATOM 0 HA LYS A 64 14.778 6.947 1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.941 9.194 -0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.394 9.466 1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.571 9.577 2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.690 7.857 1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.080 8.551 -0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.378 10.157 0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.275 9.432 1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 64 18.824 7.743 1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.627 8.282 -0.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.248 7.834 -1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 19.685 9.470 -1.028 1.00 0.00 H new ATOM 905 N ALA A 65 12.287 7.131 -0.050 1.00 0.00 N ATOM 906 CA ALA A 65 10.839 7.070 -0.145 1.00 0.00 C ATOM 907 C ALA A 65 10.328 5.886 0.678 1.00 0.00 C ATOM 908 O ALA A 65 9.534 6.064 1.601 1.00 0.00 O ATOM 909 CB ALA A 65 10.427 6.978 -1.616 1.00 0.00 C ATOM 0 H ALA A 65 12.779 6.993 -0.933 1.00 0.00 H new ATOM 0 HA ALA A 65 10.389 7.975 0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.340 6.932 -1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.789 7.856 -2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.858 6.080 -2.059 1.00 0.00 H new ATOM 915 N LEU A 66 10.803 4.704 0.315 1.00 0.00 N ATOM 916 CA LEU A 66 10.404 3.491 1.009 1.00 0.00 C ATOM 917 C LEU A 66 10.526 3.709 2.518 1.00 0.00 C ATOM 918 O LEU A 66 9.645 3.312 3.280 1.00 0.00 O ATOM 919 CB LEU A 66 11.202 2.292 0.494 1.00 0.00 C ATOM 920 CG LEU A 66 11.082 1.999 -1.003 1.00 0.00 C ATOM 921 CD1 LEU A 66 12.112 0.957 -1.442 1.00 0.00 C ATOM 922 CD2 LEU A 66 9.655 1.583 -1.367 1.00 0.00 C ATOM 0 H LEU A 66 11.461 4.560 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 66 9.359 3.260 0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.254 2.453 0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.884 1.406 1.044 1.00 0.00 H new ATOM 0 HG LEU A 66 11.300 2.917 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.005 0.767 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.116 1.330 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.950 0.031 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.597 1.380 -2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.385 0.684 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.965 2.388 -1.112 1.00 0.00 H new ATOM 933 N MET A 67 11.626 4.339 2.906 1.00 0.00 N ATOM 934 CA MET A 67 11.874 4.615 4.311 1.00 0.00 C ATOM 935 C MET A 67 10.849 5.606 4.865 1.00 0.00 C ATOM 936 O MET A 67 10.509 5.558 6.046 1.00 0.00 O ATOM 937 CB MET A 67 13.283 5.189 4.477 1.00 0.00 C ATOM 938 CG MET A 67 14.309 4.074 4.686 1.00 0.00 C ATOM 939 SD MET A 67 15.962 4.737 4.579 1.00 0.00 S ATOM 940 CE MET A 67 16.260 4.548 2.828 1.00 0.00 C ATOM 0 H MET A 67 12.355 4.666 2.272 1.00 0.00 H new ATOM 0 HA MET A 67 11.785 3.682 4.867 1.00 0.00 H new ATOM 0 HB2 MET A 67 13.548 5.771 3.595 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.304 5.871 5.327 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.158 3.607 5.659 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.171 3.296 3.935 1.00 0.00 H new ATOM 0 HE1 MET A 67 17.067 3.832 2.671 1.00 0.00 H new ATOM 0 HE2 MET A 67 15.354 4.186 2.342 1.00 0.00 H new ATOM 0 HE3 MET A 67 16.541 5.511 2.401 1.00 0.00 H new ATOM 948 N ALA A 68 10.386 6.483 3.986 1.00 0.00 N ATOM 949 CA ALA A 68 9.406 7.484 4.373 1.00 0.00 C ATOM 950 C ALA A 68 8.009 6.863 4.342 1.00 0.00 C ATOM 951 O ALA A 68 7.095 7.348 5.007 1.00 0.00 O ATOM 952 CB ALA A 68 9.526 8.698 3.450 1.00 0.00 C ATOM 0 H ALA A 68 10.671 6.521 3.007 1.00 0.00 H new ATOM 0 HA ALA A 68 9.590 7.829 5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.791 9.449 3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.528 9.120 3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.345 8.391 2.420 1.00 0.00 H new ATOM 958 N ILE A 69 7.887 5.798 3.562 1.00 0.00 N ATOM 959 CA ILE A 69 6.616 5.106 3.435 1.00 0.00 C ATOM 960 C ILE A 69 6.358 4.285 4.701 1.00 0.00 C ATOM 961 O ILE A 69 5.245 4.278 5.225 1.00 0.00 O ATOM 962 CB ILE A 69 6.582 4.278 2.149 1.00 0.00 C ATOM 963 CG1 ILE A 69 6.728 5.174 0.918 1.00 0.00 C ATOM 964 CG2 ILE A 69 5.319 3.417 2.084 1.00 0.00 C ATOM 965 CD1 ILE A 69 7.436 4.433 -0.219 1.00 0.00 C ATOM 0 H ILE A 69 8.647 5.398 3.012 1.00 0.00 H new ATOM 0 HA ILE A 69 5.800 5.823 3.347 1.00 0.00 H new ATOM 0 HB ILE A 69 7.434 3.599 2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.744 5.503 0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.292 6.069 1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.320 2.839 1.160 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.297 2.738 2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.439 4.060 2.109 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.527 5.093 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.429 4.126 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.857 3.552 -0.495 1.00 0.00 H new ATOM 976 N LEU A 70 7.406 3.614 5.156 1.00 0.00 N ATOM 977 CA LEU A 70 7.308 2.792 6.350 1.00 0.00 C ATOM 978 C LEU A 70 7.111 3.694 7.570 1.00 0.00 C ATOM 979 O LEU A 70 6.600 3.251 8.598 1.00 0.00 O ATOM 980 CB LEU A 70 8.517 1.862 6.461 1.00 0.00 C ATOM 981 CG LEU A 70 8.889 1.090 5.194 1.00 0.00 C ATOM 982 CD1 LEU A 70 10.401 0.869 5.111 1.00 0.00 C ATOM 983 CD2 LEU A 70 8.112 -0.224 5.104 1.00 0.00 C ATOM 0 H LEU A 70 8.328 3.623 4.719 1.00 0.00 H new ATOM 0 HA LEU A 70 6.437 2.139 6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.379 2.455 6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.325 1.143 7.257 1.00 0.00 H new ATOM 0 HG LEU A 70 8.603 1.692 4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.639 0.318 4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.909 1.833 5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.733 0.298 5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.396 -0.753 4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.343 -0.843 5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.043 -0.014 5.083 1.00 0.00 H new ATOM 994 N GLU A 71 7.525 4.943 7.415 1.00 0.00 N ATOM 995 CA GLU A 71 7.401 5.911 8.492 1.00 0.00 C ATOM 996 C GLU A 71 6.049 6.623 8.412 1.00 0.00 C ATOM 997 O GLU A 71 5.419 6.882 9.436 1.00 0.00 O ATOM 998 CB GLU A 71 8.553 6.917 8.459 1.00 0.00 C ATOM 999 CG GLU A 71 9.805 6.340 9.125 1.00 0.00 C ATOM 1000 CD GLU A 71 10.732 7.456 9.609 1.00 0.00 C ATOM 1001 OE1 GLU A 71 10.991 8.370 8.797 1.00 0.00 O ATOM 1002 OE2 GLU A 71 11.161 7.370 10.779 1.00 0.00 O ATOM 0 H GLU A 71 7.946 5.307 6.560 1.00 0.00 H new ATOM 0 HA GLU A 71 7.454 5.379 9.442 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.777 7.185 7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.255 7.833 8.969 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.516 5.711 9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.336 5.702 8.418 1.00 0.00 H new ATOM 1007 N HIS A 72 5.643 6.918 7.186 1.00 0.00 N ATOM 1008 CA HIS A 72 4.377 7.594 6.960 1.00 0.00 C ATOM 1009 C HIS A 72 3.249 6.563 6.896 1.00 0.00 C ATOM 1010 O HIS A 72 2.072 6.923 6.908 1.00 0.00 O ATOM 1011 CB HIS A 72 4.447 8.475 5.710 1.00 0.00 C ATOM 1012 CG HIS A 72 5.427 9.619 5.820 1.00 0.00 C ATOM 1013 ND1 HIS A 72 5.115 10.911 5.433 1.00 0.00 N ATOM 1014 CD2 HIS A 72 6.710 9.652 6.278 1.00 0.00 C ATOM 1015 CE1 HIS A 72 6.173 11.679 5.652 1.00 0.00 C ATOM 1016 NE2 HIS A 72 7.161 10.897 6.174 1.00 0.00 N ATOM 0 H HIS A 72 6.168 6.701 6.339 1.00 0.00 H new ATOM 0 HA HIS A 72 4.164 8.263 7.794 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.721 7.856 4.856 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.455 8.878 5.506 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.266 8.809 6.661 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.241 12.738 5.452 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.093 11.216 6.441 1.00 0.00 H new ATOM 1023 N SER A 73 3.646 5.301 6.828 1.00 0.00 N ATOM 1024 CA SER A 73 2.683 4.215 6.762 1.00 0.00 C ATOM 1025 C SER A 73 1.558 4.452 7.771 1.00 0.00 C ATOM 1026 O SER A 73 0.381 4.355 7.427 1.00 0.00 O ATOM 1027 CB SER A 73 3.356 2.866 7.024 1.00 0.00 C ATOM 1028 OG SER A 73 3.269 2.484 8.394 1.00 0.00 O ATOM 0 H SER A 73 4.622 5.006 6.817 1.00 0.00 H new ATOM 0 HA SER A 73 2.262 4.191 5.757 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.889 2.101 6.404 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.404 2.920 6.728 1.00 0.00 H new ATOM 0 HG SER A 73 3.708 1.617 8.520 1.00 0.00 H new ATOM 1033 N HIS A 74 1.959 4.757 8.996 1.00 0.00 N ATOM 1034 CA HIS A 74 0.998 5.008 10.057 1.00 0.00 C ATOM 1035 C HIS A 74 -0.129 5.897 9.529 1.00 0.00 C ATOM 1036 O HIS A 74 -1.250 5.848 10.032 1.00 0.00 O ATOM 1037 CB HIS A 74 1.690 5.597 11.288 1.00 0.00 C ATOM 1038 CG HIS A 74 1.506 7.087 11.443 1.00 0.00 C ATOM 1039 ND1 HIS A 74 2.568 7.970 11.533 1.00 0.00 N ATOM 1040 CD2 HIS A 74 0.372 7.842 11.521 1.00 0.00 C ATOM 1041 CE1 HIS A 74 2.085 9.196 11.660 1.00 0.00 C ATOM 1042 NE2 HIS A 74 0.722 9.114 11.654 1.00 0.00 N ATOM 0 H HIS A 74 2.936 4.836 9.278 1.00 0.00 H new ATOM 0 HA HIS A 74 0.551 4.067 10.378 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.308 5.100 12.179 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.756 5.377 11.233 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.640 7.467 11.481 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.666 10.101 11.752 1.00 0.00 H new ATOM 0 HE2 HIS A 74 0.079 9.901 11.738 1.00 0.00 H new ATOM 1049 N ARG A 75 0.208 6.690 8.522 1.00 0.00 N ATOM 1050 CA ARG A 75 -0.762 7.589 7.921 1.00 0.00 C ATOM 1051 C ARG A 75 -1.366 6.955 6.667 1.00 0.00 C ATOM 1052 O ARG A 75 -2.552 7.127 6.389 1.00 0.00 O ATOM 1053 CB ARG A 75 -0.117 8.926 7.549 1.00 0.00 C ATOM 1054 CG ARG A 75 1.061 9.242 8.472 1.00 0.00 C ATOM 1055 CD ARG A 75 1.142 10.742 8.762 1.00 0.00 C ATOM 1056 NE ARG A 75 2.385 11.048 9.504 1.00 0.00 N ATOM 1057 CZ ARG A 75 2.728 12.273 9.923 1.00 0.00 C ATOM 1058 NH1 ARG A 75 1.924 13.316 9.676 1.00 0.00 N ATOM 1059 NH2 ARG A 75 3.877 12.457 10.590 1.00 0.00 N ATOM 0 H ARG A 75 1.139 6.728 8.108 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.547 7.770 8.655 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.225 8.893 6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.859 9.722 7.614 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.953 8.692 9.407 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.990 8.906 8.011 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.119 11.303 7.828 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.275 11.056 9.344 1.00 0.00 H new ATOM 0 HE ARG A 75 3.021 10.277 9.709 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.050 13.177 9.169 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.186 14.249 9.995 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.490 11.664 10.778 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.138 13.390 10.909 1.00 0.00 H new ATOM 1070 N ILE A 76 -0.522 6.235 5.941 1.00 0.00 N ATOM 1071 CA ILE A 76 -0.959 5.575 4.723 1.00 0.00 C ATOM 1072 C ILE A 76 -2.279 4.849 4.985 1.00 0.00 C ATOM 1073 O ILE A 76 -2.345 3.958 5.831 1.00 0.00 O ATOM 1074 CB ILE A 76 0.146 4.665 4.181 1.00 0.00 C ATOM 1075 CG1 ILE A 76 1.417 5.463 3.883 1.00 0.00 C ATOM 1076 CG2 ILE A 76 -0.339 3.881 2.960 1.00 0.00 C ATOM 1077 CD1 ILE A 76 2.492 4.569 3.262 1.00 0.00 C ATOM 0 H ILE A 76 0.461 6.095 6.173 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.149 6.309 3.940 1.00 0.00 H new ATOM 0 HB ILE A 76 0.397 3.936 4.952 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.185 6.284 3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.796 5.908 4.803 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.465 3.242 2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.193 3.265 3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.635 4.577 2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.385 5.161 3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.739 3.763 3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.119 4.145 2.330 1.00 0.00 H new ATOM 1088 N ARG A 77 -3.300 5.258 4.246 1.00 0.00 N ATOM 1089 CA ARG A 77 -4.615 4.657 4.389 1.00 0.00 C ATOM 1090 C ARG A 77 -5.215 4.360 3.012 1.00 0.00 C ATOM 1091 O ARG A 77 -5.190 5.209 2.122 1.00 0.00 O ATOM 1092 CB ARG A 77 -5.561 5.579 5.160 1.00 0.00 C ATOM 1093 CG ARG A 77 -5.430 5.361 6.669 1.00 0.00 C ATOM 1094 CD ARG A 77 -6.522 6.117 7.429 1.00 0.00 C ATOM 1095 NE ARG A 77 -5.941 7.294 8.112 1.00 0.00 N ATOM 1096 CZ ARG A 77 -5.223 7.229 9.242 1.00 0.00 C ATOM 1097 NH1 ARG A 77 -4.993 6.042 9.822 1.00 0.00 N ATOM 1098 NH2 ARG A 77 -4.734 8.349 9.792 1.00 0.00 N ATOM 0 H ARG A 77 -3.243 5.998 3.547 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.496 3.728 4.947 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.339 6.618 4.918 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.589 5.393 4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.496 4.296 6.893 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.449 5.697 7.005 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.303 6.436 6.739 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.992 5.458 8.159 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.097 8.213 7.697 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.364 5.189 9.403 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.447 5.992 10.682 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.908 9.252 9.351 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.188 8.298 10.652 1.00 0.00 H new ATOM 1109 N PHE A 78 -5.741 3.151 2.880 1.00 0.00 N ATOM 1110 CA PHE A 78 -6.346 2.730 1.629 1.00 0.00 C ATOM 1111 C PHE A 78 -7.841 3.057 1.604 1.00 0.00 C ATOM 1112 O PHE A 78 -8.510 2.995 2.634 1.00 0.00 O ATOM 1113 CB PHE A 78 -6.167 1.214 1.532 1.00 0.00 C ATOM 1114 CG PHE A 78 -4.816 0.784 0.958 1.00 0.00 C ATOM 1115 CD1 PHE A 78 -3.663 1.270 1.491 1.00 0.00 C ATOM 1116 CD2 PHE A 78 -4.767 -0.087 -0.087 1.00 0.00 C ATOM 1117 CE1 PHE A 78 -2.410 0.870 0.958 1.00 0.00 C ATOM 1118 CE2 PHE A 78 -3.512 -0.487 -0.620 1.00 0.00 C ATOM 1119 CZ PHE A 78 -2.361 0.000 -0.086 1.00 0.00 C ATOM 0 H PHE A 78 -5.760 2.449 3.620 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.874 3.250 0.795 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.283 0.780 2.525 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.962 0.803 0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.701 1.961 2.320 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.682 -0.474 -0.511 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.495 1.257 1.382 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.473 -1.178 -1.449 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.407 -0.304 -0.491 1.00 0.00 H new ATOM 1128 N LYS A 79 -8.320 3.399 0.417 1.00 0.00 N ATOM 1129 CA LYS A 79 -9.724 3.736 0.246 1.00 0.00 C ATOM 1130 C LYS A 79 -10.258 3.049 -1.012 1.00 0.00 C ATOM 1131 O LYS A 79 -9.743 3.265 -2.108 1.00 0.00 O ATOM 1132 CB LYS A 79 -9.914 5.254 0.247 1.00 0.00 C ATOM 1133 CG LYS A 79 -10.145 5.776 1.666 1.00 0.00 C ATOM 1134 CD LYS A 79 -11.636 5.787 2.011 1.00 0.00 C ATOM 1135 CE LYS A 79 -12.338 6.985 1.369 1.00 0.00 C ATOM 1136 NZ LYS A 79 -13.360 7.538 2.286 1.00 0.00 N ATOM 0 H LYS A 79 -7.762 3.450 -0.435 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.311 3.365 1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.035 5.734 -0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.762 5.518 -0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.608 5.151 2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.740 6.784 1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.099 4.862 1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.762 5.824 3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.606 7.755 1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.807 6.681 0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.827 8.350 1.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.067 6.806 2.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.904 7.846 3.168 1.00 0.00 H new ATOM 1146 N LEU A 80 -11.285 2.236 -0.814 1.00 0.00 N ATOM 1147 CA LEU A 80 -11.896 1.517 -1.919 1.00 0.00 C ATOM 1148 C LEU A 80 -13.111 2.299 -2.422 1.00 0.00 C ATOM 1149 O LEU A 80 -13.799 2.953 -1.640 1.00 0.00 O ATOM 1150 CB LEU A 80 -12.216 0.078 -1.510 1.00 0.00 C ATOM 1151 CG LEU A 80 -11.050 -0.911 -1.567 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -11.498 -2.311 -1.141 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -10.401 -0.915 -2.953 1.00 0.00 C ATOM 0 H LEU A 80 -11.710 2.059 0.096 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.200 1.439 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.608 0.089 -0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.013 -0.293 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.290 -0.585 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.651 -2.995 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.878 -2.277 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.285 -2.660 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.575 -1.626 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.140 -1.204 -3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.024 0.082 -3.181 1.00 0.00 H new ATOM 1164 N LYS A 81 -13.337 2.206 -3.724 1.00 0.00 N ATOM 1165 CA LYS A 81 -14.457 2.896 -4.340 1.00 0.00 C ATOM 1166 C LYS A 81 -15.726 2.625 -3.529 1.00 0.00 C ATOM 1167 O LYS A 81 -15.914 1.524 -3.013 1.00 0.00 O ATOM 1168 CB LYS A 81 -14.577 2.511 -5.816 1.00 0.00 C ATOM 1169 CG LYS A 81 -15.107 1.085 -5.970 1.00 0.00 C ATOM 1170 CD LYS A 81 -16.019 0.968 -7.194 1.00 0.00 C ATOM 1171 CE LYS A 81 -16.973 -0.220 -7.056 1.00 0.00 C ATOM 1172 NZ LYS A 81 -18.175 -0.019 -7.895 1.00 0.00 N ATOM 0 H LYS A 81 -12.763 1.663 -4.369 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.294 3.974 -4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.244 3.207 -6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.603 2.594 -6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.272 0.391 -6.067 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.657 0.799 -5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.592 1.887 -7.314 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.414 0.850 -8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.465 -1.138 -7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.266 -0.340 -6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -18.812 -0.834 -7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.667 0.846 -7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -17.892 0.072 -8.891 1.00 0.00 H new