USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=9 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 147:sc= -1.77! (180deg=-4.65!) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0881 USER MOD Single : A 21 SER OG : rot 126:sc= 0.478 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -25:sc= -0.361! USER MOD Single : A 47 GLN : amide:sc= -0.0915 K(o=-0.091,f=-0.95) USER MOD Single : A 61 TYR OH : rot 18:sc= 0.193 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -112:sc= -3.96! (180deg=-8.82!) USER MOD Single : A 72 HIS : no HD1:sc= -5.16! C(o=-5.2!,f=-5.1!) USER MOD Single : A 73 SER OG : rot 180:sc=-0.00545 USER MOD Single : A 74 HIS : no HE2:sc= -5.1! C(o=-5.1!,f=-9.9!) 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 13.994 -2.882 1.966 1.00 0.00 N ATOM 63 CA LEU A 8 13.156 -1.708 2.136 1.00 0.00 C ATOM 64 C LEU A 8 11.890 -1.862 1.291 1.00 0.00 C ATOM 65 O LEU A 8 10.779 -1.757 1.806 1.00 0.00 O ATOM 66 CB LEU A 8 13.948 -0.435 1.830 1.00 0.00 C ATOM 67 CG LEU A 8 14.509 0.314 3.040 1.00 0.00 C ATOM 68 CD1 LEU A 8 15.074 1.675 2.629 1.00 0.00 C ATOM 69 CD2 LEU A 8 13.455 0.440 4.143 1.00 0.00 C ATOM 0 HA LEU A 8 12.837 -1.616 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.778 -0.696 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.303 0.245 1.274 1.00 0.00 H new ATOM 0 HG LEU A 8 15.336 -0.267 3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.466 2.187 3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.876 1.532 1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.283 2.277 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.879 0.976 4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.593 0.988 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.141 -0.554 4.462 1.00 0.00 H new ATOM 80 N ARG A 9 12.102 -2.110 0.007 1.00 0.00 N ATOM 81 CA ARG A 9 10.991 -2.281 -0.916 1.00 0.00 C ATOM 82 C ARG A 9 10.161 -3.506 -0.527 1.00 0.00 C ATOM 83 O ARG A 9 8.948 -3.527 -0.726 1.00 0.00 O ATOM 84 CB ARG A 9 11.489 -2.445 -2.352 1.00 0.00 C ATOM 85 CG ARG A 9 10.317 -2.600 -3.324 1.00 0.00 C ATOM 86 CD ARG A 9 10.488 -3.847 -4.195 1.00 0.00 C ATOM 87 NE ARG A 9 10.610 -5.048 -3.339 1.00 0.00 N ATOM 88 CZ ARG A 9 10.748 -6.296 -3.811 1.00 0.00 C ATOM 89 NH1 ARG A 9 10.783 -6.512 -5.132 1.00 0.00 N ATOM 90 NH2 ARG A 9 10.852 -7.325 -2.960 1.00 0.00 N ATOM 0 H ARG A 9 13.026 -2.197 -0.417 1.00 0.00 H new ATOM 0 HA ARG A 9 10.371 -1.386 -0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.088 -1.579 -2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.139 -3.318 -2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.383 -2.667 -2.766 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.246 -1.716 -3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.635 -3.953 -4.865 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.374 -3.745 -4.821 1.00 0.00 H new ATOM 0 HE ARG A 9 10.588 -4.919 -2.327 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.705 -5.728 -5.779 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.888 -7.461 -5.491 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.826 -7.159 -1.954 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.957 -8.274 -3.318 1.00 0.00 H new ATOM 101 N LYS A 10 10.850 -4.497 0.021 1.00 0.00 N ATOM 102 CA LYS A 10 10.193 -5.724 0.439 1.00 0.00 C ATOM 103 C LYS A 10 9.290 -5.430 1.639 1.00 0.00 C ATOM 104 O LYS A 10 8.265 -6.083 1.825 1.00 0.00 O ATOM 105 CB LYS A 10 11.224 -6.822 0.701 1.00 0.00 C ATOM 106 CG LYS A 10 10.570 -8.047 1.344 1.00 0.00 C ATOM 107 CD LYS A 10 9.417 -8.569 0.483 1.00 0.00 C ATOM 108 CE LYS A 10 9.942 -9.235 -0.790 1.00 0.00 C ATOM 109 NZ LYS A 10 9.539 -10.658 -0.835 1.00 0.00 N ATOM 0 H LYS A 10 11.856 -4.475 0.185 1.00 0.00 H new ATOM 0 HA LYS A 10 9.553 -6.104 -0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.700 -7.110 -0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.009 -6.440 1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.314 -8.833 1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.199 -7.787 2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.826 -9.284 1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.753 -7.746 0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.556 -8.714 -1.666 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.029 -9.157 -0.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.904 -11.095 -1.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.928 -11.155 -0.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.501 -10.725 -0.822 1.00 0.00 H new ATOM 119 N MET A 11 9.705 -4.445 2.423 1.00 0.00 N ATOM 120 CA MET A 11 8.946 -4.056 3.600 1.00 0.00 C ATOM 121 C MET A 11 7.632 -3.378 3.207 1.00 0.00 C ATOM 122 O MET A 11 6.564 -3.764 3.682 1.00 0.00 O ATOM 123 CB MET A 11 9.780 -3.096 4.451 1.00 0.00 C ATOM 124 CG MET A 11 10.555 -3.853 5.531 1.00 0.00 C ATOM 125 SD MET A 11 10.241 -3.125 7.131 1.00 0.00 S ATOM 126 CE MET A 11 11.509 -1.868 7.153 1.00 0.00 C ATOM 0 H MET A 11 10.556 -3.905 2.266 1.00 0.00 H new ATOM 0 HA MET A 11 8.713 -4.955 4.171 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.476 -2.550 3.814 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.128 -2.357 4.917 1.00 0.00 H new ATOM 0 HG2 MET A 11 10.259 -4.902 5.535 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.622 -3.824 5.312 1.00 0.00 H new ATOM 0 HE1 MET A 11 11.150 -0.999 7.705 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.403 -2.261 7.637 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.749 -1.575 6.131 1.00 0.00 H new ATOM 134 N VAL A 12 7.752 -2.382 2.343 1.00 0.00 N ATOM 135 CA VAL A 12 6.586 -1.648 1.879 1.00 0.00 C ATOM 136 C VAL A 12 5.764 -2.541 0.948 1.00 0.00 C ATOM 137 O VAL A 12 4.590 -2.269 0.701 1.00 0.00 O ATOM 138 CB VAL A 12 7.021 -0.337 1.221 1.00 0.00 C ATOM 139 CG1 VAL A 12 8.240 -0.553 0.322 1.00 0.00 C ATOM 140 CG2 VAL A 12 5.867 0.293 0.440 1.00 0.00 C ATOM 0 H VAL A 12 8.639 -2.065 1.951 1.00 0.00 H new ATOM 0 HA VAL A 12 5.946 -1.378 2.718 1.00 0.00 H new ATOM 0 HB VAL A 12 7.308 0.356 2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.529 0.394 -0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.068 -0.936 0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.993 -1.271 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.203 1.224 -0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.535 -0.395 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.039 0.500 1.118 1.00 0.00 H new ATOM 150 N GLU A 13 6.412 -3.586 0.457 1.00 0.00 N ATOM 151 CA GLU A 13 5.755 -4.520 -0.441 1.00 0.00 C ATOM 152 C GLU A 13 4.491 -5.085 0.212 1.00 0.00 C ATOM 153 O GLU A 13 3.398 -4.962 -0.336 1.00 0.00 O ATOM 154 CB GLU A 13 6.707 -5.643 -0.856 1.00 0.00 C ATOM 155 CG GLU A 13 6.881 -5.680 -2.377 1.00 0.00 C ATOM 156 CD GLU A 13 6.782 -7.112 -2.905 1.00 0.00 C ATOM 157 OE1 GLU A 13 5.638 -7.543 -3.167 1.00 0.00 O ATOM 158 OE2 GLU A 13 7.852 -7.745 -3.036 1.00 0.00 O ATOM 0 H GLU A 13 7.386 -3.807 0.664 1.00 0.00 H new ATOM 0 HA GLU A 13 5.464 -3.983 -1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.676 -5.498 -0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.320 -6.600 -0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.118 -5.061 -2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.848 -5.255 -2.647 1.00 0.00 H new ATOM 163 N GLU A 14 4.685 -5.692 1.374 1.00 0.00 N ATOM 164 CA GLU A 14 3.576 -6.276 2.107 1.00 0.00 C ATOM 165 C GLU A 14 2.644 -5.178 2.624 1.00 0.00 C ATOM 166 O GLU A 14 1.433 -5.374 2.707 1.00 0.00 O ATOM 167 CB GLU A 14 4.078 -7.155 3.255 1.00 0.00 C ATOM 168 CG GLU A 14 4.827 -6.320 4.296 1.00 0.00 C ATOM 169 CD GLU A 14 6.103 -7.030 4.752 1.00 0.00 C ATOM 170 OE1 GLU A 14 6.674 -7.765 3.918 1.00 0.00 O ATOM 171 OE2 GLU A 14 6.478 -6.822 5.927 1.00 0.00 O ATOM 0 H GLU A 14 5.594 -5.792 1.825 1.00 0.00 H new ATOM 0 HA GLU A 14 3.012 -6.913 1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.235 -7.660 3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.736 -7.931 2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.079 -5.347 3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.181 -6.138 5.155 1.00 0.00 H new ATOM 176 N VAL A 15 3.245 -4.045 2.959 1.00 0.00 N ATOM 177 CA VAL A 15 2.484 -2.916 3.465 1.00 0.00 C ATOM 178 C VAL A 15 1.295 -2.651 2.540 1.00 0.00 C ATOM 179 O VAL A 15 0.152 -2.933 2.897 1.00 0.00 O ATOM 180 CB VAL A 15 3.399 -1.699 3.627 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.582 -0.426 3.854 1.00 0.00 C ATOM 182 CG2 VAL A 15 4.405 -1.916 4.759 1.00 0.00 C ATOM 0 H VAL A 15 4.250 -3.885 2.890 1.00 0.00 H new ATOM 0 HA VAL A 15 2.082 -3.139 4.454 1.00 0.00 H new ATOM 0 HB VAL A 15 3.960 -1.575 2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.256 0.424 3.966 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.925 -0.258 3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.982 -0.535 4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.043 -1.037 4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.870 -2.078 5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.020 -2.788 4.537 1.00 0.00 H new ATOM 192 N PHE A 16 1.605 -2.113 1.370 1.00 0.00 N ATOM 193 CA PHE A 16 0.575 -1.807 0.391 1.00 0.00 C ATOM 194 C PHE A 16 -0.376 -2.991 0.207 1.00 0.00 C ATOM 195 O PHE A 16 -1.521 -2.814 -0.205 1.00 0.00 O ATOM 196 CB PHE A 16 1.287 -1.530 -0.936 1.00 0.00 C ATOM 197 CG PHE A 16 1.892 -0.129 -1.036 1.00 0.00 C ATOM 198 CD1 PHE A 16 1.208 0.942 -0.551 1.00 0.00 C ATOM 199 CD2 PHE A 16 3.111 0.046 -1.611 1.00 0.00 C ATOM 200 CE1 PHE A 16 1.769 2.243 -0.645 1.00 0.00 C ATOM 201 CE2 PHE A 16 3.673 1.348 -1.705 1.00 0.00 C ATOM 202 CZ PHE A 16 2.989 2.419 -1.220 1.00 0.00 C ATOM 0 H PHE A 16 2.554 -1.881 1.077 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.012 -0.952 0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.078 -2.267 -1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.578 -1.668 -1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.239 0.803 -0.095 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.653 -0.805 -1.997 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.226 3.094 -0.260 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.642 1.487 -2.161 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.415 3.409 -1.291 1.00 0.00 H new ATOM 211 N ASP A 17 0.134 -4.174 0.523 1.00 0.00 N ATOM 212 CA ASP A 17 -0.657 -5.386 0.399 1.00 0.00 C ATOM 213 C ASP A 17 -1.603 -5.498 1.595 1.00 0.00 C ATOM 214 O ASP A 17 -2.822 -5.485 1.430 1.00 0.00 O ATOM 215 CB ASP A 17 0.238 -6.628 0.385 1.00 0.00 C ATOM 216 CG ASP A 17 0.398 -7.294 -0.982 1.00 0.00 C ATOM 217 OD1 ASP A 17 0.598 -6.542 -1.961 1.00 0.00 O ATOM 218 OD2 ASP A 17 0.318 -8.541 -1.019 1.00 0.00 O ATOM 0 H ASP A 17 1.084 -4.318 0.864 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.213 -5.331 -0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.225 -6.350 0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.170 -7.359 1.083 1.00 0.00 H new ATOM 222 N VAL A 18 -1.007 -5.607 2.773 1.00 0.00 N ATOM 223 CA VAL A 18 -1.781 -5.720 3.997 1.00 0.00 C ATOM 224 C VAL A 18 -2.894 -4.671 3.991 1.00 0.00 C ATOM 225 O VAL A 18 -4.071 -5.008 4.106 1.00 0.00 O ATOM 226 CB VAL A 18 -0.859 -5.608 5.213 1.00 0.00 C ATOM 227 CG1 VAL A 18 -1.632 -5.130 6.445 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.151 -6.935 5.490 1.00 0.00 C ATOM 0 H VAL A 18 0.004 -5.619 2.906 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.258 -6.698 4.058 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.096 -4.864 4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.954 -5.059 7.295 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.066 -4.151 6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.427 -5.840 6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.498 -6.827 6.359 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.893 -7.709 5.685 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.447 -7.216 4.623 1.00 0.00 H new ATOM 238 N LEU A 19 -2.482 -3.419 3.856 1.00 0.00 N ATOM 239 CA LEU A 19 -3.429 -2.317 3.833 1.00 0.00 C ATOM 240 C LEU A 19 -4.569 -2.650 2.868 1.00 0.00 C ATOM 241 O LEU A 19 -5.735 -2.667 3.260 1.00 0.00 O ATOM 242 CB LEU A 19 -2.715 -1.003 3.513 1.00 0.00 C ATOM 243 CG LEU A 19 -1.526 -0.650 4.408 1.00 0.00 C ATOM 244 CD1 LEU A 19 -1.127 0.816 4.236 1.00 0.00 C ATOM 245 CD2 LEU A 19 -1.817 -0.998 5.868 1.00 0.00 C ATOM 0 H LEU A 19 -1.505 -3.143 3.761 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.875 -2.178 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.368 -1.043 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.442 -0.193 3.573 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.673 -1.254 4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.279 1.041 4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.849 0.998 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.968 1.456 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.956 -0.737 6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.689 -0.439 6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.015 -2.066 5.955 1.00 0.00 H new ATOM 256 N TYR A 20 -4.191 -2.906 1.624 1.00 0.00 N ATOM 257 CA TYR A 20 -5.167 -3.237 0.599 1.00 0.00 C ATOM 258 C TYR A 20 -6.091 -4.364 1.066 1.00 0.00 C ATOM 259 O TYR A 20 -7.308 -4.278 0.908 1.00 0.00 O ATOM 260 CB TYR A 20 -4.362 -3.722 -0.609 1.00 0.00 C ATOM 261 CG TYR A 20 -5.221 -4.110 -1.813 1.00 0.00 C ATOM 262 CD1 TYR A 20 -6.257 -3.291 -2.215 1.00 0.00 C ATOM 263 CD2 TYR A 20 -4.961 -5.278 -2.500 1.00 0.00 C ATOM 264 CE1 TYR A 20 -7.066 -3.656 -3.349 1.00 0.00 C ATOM 265 CE2 TYR A 20 -5.769 -5.644 -3.633 1.00 0.00 C ATOM 266 CZ TYR A 20 -6.782 -4.815 -4.002 1.00 0.00 C ATOM 267 OH TYR A 20 -7.545 -5.159 -5.073 1.00 0.00 O ATOM 0 H TYR A 20 -3.223 -2.891 1.303 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.789 -2.372 0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.668 -2.937 -0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.762 -4.582 -0.311 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.461 -2.376 -1.679 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.150 -5.919 -2.187 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.879 -3.024 -3.674 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.575 -6.556 -4.178 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.227 -6.010 -5.441 1.00 0.00 H new ATOM 276 N SER A 21 -5.478 -5.393 1.631 1.00 0.00 N ATOM 277 CA SER A 21 -6.231 -6.535 2.121 1.00 0.00 C ATOM 278 C SER A 21 -7.150 -6.104 3.266 1.00 0.00 C ATOM 279 O SER A 21 -8.263 -6.611 3.398 1.00 0.00 O ATOM 280 CB SER A 21 -5.295 -7.654 2.584 1.00 0.00 C ATOM 281 OG SER A 21 -6.014 -8.808 3.011 1.00 0.00 O ATOM 0 H SER A 21 -4.468 -5.460 1.761 1.00 0.00 H new ATOM 0 HA SER A 21 -6.838 -6.921 1.302 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.624 -7.926 1.769 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.673 -7.291 3.402 1.00 0.00 H new ATOM 0 HG SER A 21 -5.688 -9.595 2.526 1.00 0.00 H new ATOM 286 N GLU A 22 -6.650 -5.172 4.064 1.00 0.00 N ATOM 287 CA GLU A 22 -7.413 -4.666 5.193 1.00 0.00 C ATOM 288 C GLU A 22 -8.684 -3.969 4.705 1.00 0.00 C ATOM 289 O GLU A 22 -9.778 -4.254 5.191 1.00 0.00 O ATOM 290 CB GLU A 22 -6.565 -3.724 6.049 1.00 0.00 C ATOM 291 CG GLU A 22 -5.514 -4.502 6.845 1.00 0.00 C ATOM 292 CD GLU A 22 -6.174 -5.379 7.911 1.00 0.00 C ATOM 293 OE1 GLU A 22 -6.696 -4.794 8.885 1.00 0.00 O ATOM 294 OE2 GLU A 22 -6.142 -6.615 7.727 1.00 0.00 O ATOM 0 H GLU A 22 -5.726 -4.754 3.951 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.703 -5.510 5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.073 -2.990 5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.208 -3.171 6.733 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.927 -5.124 6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.822 -3.806 7.319 1.00 0.00 H new ATOM 299 N ALA A 23 -8.498 -3.068 3.752 1.00 0.00 N ATOM 300 CA ALA A 23 -9.617 -2.328 3.193 1.00 0.00 C ATOM 301 C ALA A 23 -10.533 -3.292 2.437 1.00 0.00 C ATOM 302 O ALA A 23 -11.740 -3.067 2.349 1.00 0.00 O ATOM 303 CB ALA A 23 -9.090 -1.203 2.300 1.00 0.00 C ATOM 0 H ALA A 23 -7.589 -2.833 3.353 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.206 -1.866 3.985 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.929 -0.648 1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.469 -0.530 2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.496 -1.628 1.491 1.00 0.00 H new ATOM 309 N LEU A 24 -9.927 -4.344 1.909 1.00 0.00 N ATOM 310 CA LEU A 24 -10.674 -5.343 1.163 1.00 0.00 C ATOM 311 C LEU A 24 -11.400 -6.266 2.141 1.00 0.00 C ATOM 312 O LEU A 24 -12.427 -6.853 1.803 1.00 0.00 O ATOM 313 CB LEU A 24 -9.754 -6.082 0.187 1.00 0.00 C ATOM 314 CG LEU A 24 -9.810 -5.618 -1.269 1.00 0.00 C ATOM 315 CD1 LEU A 24 -8.689 -6.257 -2.091 1.00 0.00 C ATOM 316 CD2 LEU A 24 -11.189 -5.884 -1.876 1.00 0.00 C ATOM 0 H LEU A 24 -8.926 -4.527 1.983 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.437 -4.867 0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.728 -5.982 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.001 -7.143 0.219 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.651 -4.540 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.751 -5.911 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.724 -5.975 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.792 -7.342 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.202 -5.545 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.402 -6.952 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.947 -5.344 -1.308 1.00 0.00 H new ATOM 327 N GLY A 25 -10.839 -6.367 3.338 1.00 0.00 N ATOM 328 CA GLY A 25 -11.421 -7.210 4.369 1.00 0.00 C ATOM 329 C GLY A 25 -11.392 -8.683 3.955 1.00 0.00 C ATOM 330 O GLY A 25 -12.386 -9.392 4.098 1.00 0.00 O ATOM 0 H GLY A 25 -9.988 -5.879 3.616 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.873 -7.080 5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.449 -6.902 4.558 1.00 0.00 H new ATOM 334 N ARG A 26 -10.239 -9.099 3.451 1.00 0.00 N ATOM 335 CA ARG A 26 -10.066 -10.475 3.015 1.00 0.00 C ATOM 336 C ARG A 26 -9.409 -11.303 4.121 1.00 0.00 C ATOM 337 O ARG A 26 -9.019 -10.765 5.156 1.00 0.00 O ATOM 338 CB ARG A 26 -9.205 -10.549 1.752 1.00 0.00 C ATOM 339 CG ARG A 26 -9.789 -9.677 0.639 1.00 0.00 C ATOM 340 CD ARG A 26 -10.584 -10.521 -0.359 1.00 0.00 C ATOM 341 NE ARG A 26 -12.015 -10.540 0.019 1.00 0.00 N ATOM 342 CZ ARG A 26 -12.566 -11.455 0.827 1.00 0.00 C ATOM 343 NH1 ARG A 26 -11.811 -12.433 1.345 1.00 0.00 N ATOM 344 NH2 ARG A 26 -13.873 -11.394 1.116 1.00 0.00 N ATOM 0 H ARG A 26 -9.416 -8.508 3.335 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.054 -10.879 2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.190 -10.223 1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.139 -11.583 1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.436 -8.914 1.072 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.984 -9.156 0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.470 -10.114 -1.364 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.192 -11.538 -0.381 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.619 -9.811 -0.360 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.816 -12.481 1.124 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.231 -13.130 1.960 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.449 -10.651 0.721 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.292 -12.091 1.731 1.00 0.00 H new ATOM 355 N ALA A 27 -9.308 -12.599 3.864 1.00 0.00 N ATOM 356 CA ALA A 27 -8.705 -13.507 4.825 1.00 0.00 C ATOM 357 C ALA A 27 -7.203 -13.604 4.556 1.00 0.00 C ATOM 358 O ALA A 27 -6.397 -13.566 5.486 1.00 0.00 O ATOM 359 CB ALA A 27 -9.400 -14.868 4.748 1.00 0.00 C ATOM 0 H ALA A 27 -9.633 -13.042 3.005 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.834 -13.132 5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.948 -15.549 5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.459 -14.749 4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.289 -15.277 3.744 1.00 0.00 H new ATOM 365 N SER A 28 -6.869 -13.726 3.279 1.00 0.00 N ATOM 366 CA SER A 28 -5.477 -13.829 2.876 1.00 0.00 C ATOM 367 C SER A 28 -4.971 -12.469 2.390 1.00 0.00 C ATOM 368 O SER A 28 -5.766 -11.572 2.110 1.00 0.00 O ATOM 369 CB SER A 28 -5.296 -14.884 1.783 1.00 0.00 C ATOM 370 OG SER A 28 -6.010 -16.082 2.074 1.00 0.00 O ATOM 0 H SER A 28 -7.539 -13.756 2.510 1.00 0.00 H new ATOM 0 HA SER A 28 -4.893 -14.139 3.742 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.638 -14.481 0.830 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.236 -15.112 1.671 1.00 0.00 H new ATOM 0 HG SER A 28 -5.870 -16.730 1.352 1.00 0.00 H new ATOM 375 N VAL A 29 -3.654 -12.360 2.304 1.00 0.00 N ATOM 376 CA VAL A 29 -3.034 -11.124 1.856 1.00 0.00 C ATOM 377 C VAL A 29 -2.883 -11.156 0.334 1.00 0.00 C ATOM 378 O VAL A 29 -2.127 -11.965 -0.202 1.00 0.00 O ATOM 379 CB VAL A 29 -1.705 -10.912 2.583 1.00 0.00 C ATOM 380 CG1 VAL A 29 -0.951 -9.712 2.008 1.00 0.00 C ATOM 381 CG2 VAL A 29 -1.923 -10.753 4.090 1.00 0.00 C ATOM 0 H VAL A 29 -2.999 -13.106 2.537 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.665 -10.270 2.102 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.092 -11.799 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.010 -9.583 2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.747 -9.883 0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.558 -8.813 2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.962 -10.604 4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.564 -9.891 4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.398 -11.651 4.486 1.00 0.00 H new ATOM 391 N VAL A 30 -3.616 -10.267 -0.320 1.00 0.00 N ATOM 392 CA VAL A 30 -3.574 -10.184 -1.770 1.00 0.00 C ATOM 393 C VAL A 30 -2.592 -9.086 -2.186 1.00 0.00 C ATOM 394 O VAL A 30 -2.350 -8.147 -1.429 1.00 0.00 O ATOM 395 CB VAL A 30 -4.984 -9.966 -2.324 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.760 -11.283 -2.381 1.00 0.00 C ATOM 397 CG2 VAL A 30 -5.740 -8.920 -1.502 1.00 0.00 C ATOM 0 H VAL A 30 -4.242 -9.598 0.128 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.214 -11.121 -2.195 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.889 -9.588 -3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.758 -11.100 -2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.236 -11.987 -3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.840 -11.702 -1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.739 -8.784 -1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.819 -9.257 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.201 -7.973 -1.535 1.00 0.00 H new ATOM 407 N PRO A 31 -2.040 -9.245 -3.418 1.00 0.00 N ATOM 408 CA PRO A 31 -1.091 -8.279 -3.943 1.00 0.00 C ATOM 409 C PRO A 31 -1.800 -6.999 -4.388 1.00 0.00 C ATOM 410 O PRO A 31 -3.027 -6.920 -4.350 1.00 0.00 O ATOM 411 CB PRO A 31 -0.390 -8.997 -5.085 1.00 0.00 C ATOM 412 CG PRO A 31 -1.288 -10.165 -5.457 1.00 0.00 C ATOM 413 CD PRO A 31 -2.305 -10.345 -4.342 1.00 0.00 C ATOM 0 HA PRO A 31 -0.370 -7.949 -3.195 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.245 -8.330 -5.935 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.597 -9.345 -4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.791 -9.973 -6.405 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.699 -11.073 -5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.325 -10.303 -4.725 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.188 -11.311 -3.851 1.00 0.00 H new ATOM 418 N LEU A 32 -0.998 -6.028 -4.799 1.00 0.00 N ATOM 419 CA LEU A 32 -1.534 -4.755 -5.249 1.00 0.00 C ATOM 420 C LEU A 32 -1.201 -4.561 -6.730 1.00 0.00 C ATOM 421 O LEU A 32 -0.078 -4.195 -7.075 1.00 0.00 O ATOM 422 CB LEU A 32 -1.037 -3.617 -4.355 1.00 0.00 C ATOM 423 CG LEU A 32 -1.282 -2.199 -4.875 1.00 0.00 C ATOM 424 CD1 LEU A 32 -2.668 -2.080 -5.513 1.00 0.00 C ATOM 425 CD2 LEU A 32 -1.070 -1.164 -3.767 1.00 0.00 C ATOM 0 H LEU A 32 0.019 -6.097 -4.830 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.620 -4.748 -5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.515 -3.713 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.034 -3.745 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.550 -1.990 -5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.816 -1.062 -5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.745 -2.776 -6.348 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.431 -2.317 -4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.250 -0.165 -4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.762 -1.360 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.046 -1.229 -3.399 1.00 0.00 H new ATOM 436 N PRO A 33 -2.223 -4.825 -7.588 1.00 0.00 N ATOM 437 CA PRO A 33 -2.049 -4.684 -9.024 1.00 0.00 C ATOM 438 C PRO A 33 -2.039 -3.210 -9.433 1.00 0.00 C ATOM 439 O PRO A 33 -3.001 -2.719 -10.023 1.00 0.00 O ATOM 440 CB PRO A 33 -3.202 -5.463 -9.637 1.00 0.00 C ATOM 441 CG PRO A 33 -4.234 -5.619 -8.532 1.00 0.00 C ATOM 442 CD PRO A 33 -3.565 -5.260 -7.215 1.00 0.00 C ATOM 0 HA PRO A 33 -1.092 -5.073 -9.373 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.622 -4.932 -10.491 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.868 -6.435 -9.999 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.090 -4.969 -8.715 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.610 -6.642 -8.503 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.108 -4.469 -6.698 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.531 -6.117 -6.542 1.00 0.00 H new ATOM 447 N TYR A 34 -0.941 -2.546 -9.105 1.00 0.00 N ATOM 448 CA TYR A 34 -0.792 -1.137 -9.431 1.00 0.00 C ATOM 449 C TYR A 34 -1.169 -0.869 -10.890 1.00 0.00 C ATOM 450 O TYR A 34 -1.994 -0.003 -11.172 1.00 0.00 O ATOM 451 CB TYR A 34 0.689 -0.812 -9.231 1.00 0.00 C ATOM 452 CG TYR A 34 1.154 -0.897 -7.775 1.00 0.00 C ATOM 453 CD1 TYR A 34 0.910 0.150 -6.910 1.00 0.00 C ATOM 454 CD2 TYR A 34 1.816 -2.022 -7.328 1.00 0.00 C ATOM 455 CE1 TYR A 34 1.348 0.069 -5.541 1.00 0.00 C ATOM 456 CE2 TYR A 34 2.254 -2.104 -5.959 1.00 0.00 C ATOM 457 CZ TYR A 34 1.997 -1.054 -5.132 1.00 0.00 C ATOM 458 OH TYR A 34 2.411 -1.131 -3.838 1.00 0.00 O ATOM 0 H TYR A 34 -0.145 -2.957 -8.617 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.442 -0.527 -8.804 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.285 -1.498 -9.833 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.884 0.193 -9.606 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.391 1.030 -7.260 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.006 -2.841 -8.005 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.165 0.882 -4.854 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.774 -2.978 -5.597 1.00 0.00 H new ATOM 0 HH TYR A 34 2.534 -0.227 -3.480 1.00 0.00 H new ATOM 467 N GLU A 35 -0.545 -1.630 -11.777 1.00 0.00 N ATOM 468 CA GLU A 35 -0.803 -1.487 -13.200 1.00 0.00 C ATOM 469 C GLU A 35 -2.292 -1.232 -13.445 1.00 0.00 C ATOM 470 O GLU A 35 -2.661 -0.566 -14.411 1.00 0.00 O ATOM 471 CB GLU A 35 -0.323 -2.716 -13.972 1.00 0.00 C ATOM 472 CG GLU A 35 -1.038 -3.981 -13.491 1.00 0.00 C ATOM 473 CD GLU A 35 -0.496 -5.222 -14.200 1.00 0.00 C ATOM 474 OE1 GLU A 35 -0.146 -5.087 -15.394 1.00 0.00 O ATOM 475 OE2 GLU A 35 -0.442 -6.279 -13.535 1.00 0.00 O ATOM 0 H GLU A 35 0.139 -2.348 -11.538 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.241 -0.628 -13.567 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.505 -2.574 -15.037 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.753 -2.832 -13.845 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.909 -4.088 -12.414 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.108 -3.891 -13.677 1.00 0.00 H new ATOM 480 N ARG A 36 -3.108 -1.778 -12.554 1.00 0.00 N ATOM 481 CA ARG A 36 -4.548 -1.619 -12.663 1.00 0.00 C ATOM 482 C ARG A 36 -5.018 -0.440 -11.806 1.00 0.00 C ATOM 483 O ARG A 36 -5.476 0.571 -12.334 1.00 0.00 O ATOM 484 CB ARG A 36 -5.278 -2.887 -12.216 1.00 0.00 C ATOM 485 CG ARG A 36 -5.174 -3.983 -13.279 1.00 0.00 C ATOM 486 CD ARG A 36 -6.496 -4.739 -13.418 1.00 0.00 C ATOM 487 NE ARG A 36 -6.286 -6.179 -13.148 1.00 0.00 N ATOM 488 CZ ARG A 36 -7.120 -7.148 -13.550 1.00 0.00 C ATOM 489 NH1 ARG A 36 -8.224 -6.837 -14.241 1.00 0.00 N ATOM 490 NH2 ARG A 36 -6.849 -8.428 -13.259 1.00 0.00 N ATOM 0 H ARG A 36 -2.799 -2.330 -11.754 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.782 -1.429 -13.710 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.853 -3.244 -11.278 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.327 -2.659 -12.025 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.902 -3.541 -14.237 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.379 -4.679 -13.012 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.231 -4.334 -12.723 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.898 -4.604 -14.422 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.455 -6.451 -12.623 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.430 -5.863 -14.461 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.859 -7.574 -14.547 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.008 -8.664 -12.732 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.483 -9.166 -13.565 1.00 0.00 H new ATOM 501 N LEU A 37 -4.887 -0.611 -10.499 1.00 0.00 N ATOM 502 CA LEU A 37 -5.292 0.425 -9.564 1.00 0.00 C ATOM 503 C LEU A 37 -4.820 1.786 -10.082 1.00 0.00 C ATOM 504 O LEU A 37 -5.471 2.803 -9.851 1.00 0.00 O ATOM 505 CB LEU A 37 -4.797 0.099 -8.154 1.00 0.00 C ATOM 506 CG LEU A 37 -5.143 -1.297 -7.629 1.00 0.00 C ATOM 507 CD1 LEU A 37 -5.284 -1.289 -6.105 1.00 0.00 C ATOM 508 CD2 LEU A 37 -6.394 -1.847 -8.317 1.00 0.00 C ATOM 0 H LEU A 37 -4.506 -1.452 -10.065 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.379 0.469 -9.492 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.713 0.215 -8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.209 0.837 -7.466 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.320 -1.968 -7.874 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.530 -2.292 -5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.345 -0.969 -5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.078 -0.600 -5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.618 -2.840 -7.926 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.237 -1.183 -8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.220 -1.911 -9.391 1.00 0.00 H new ATOM 519 N LEU A 38 -3.690 1.760 -10.773 1.00 0.00 N ATOM 520 CA LEU A 38 -3.122 2.978 -11.326 1.00 0.00 C ATOM 521 C LEU A 38 -4.050 3.520 -12.415 1.00 0.00 C ATOM 522 O LEU A 38 -4.376 4.705 -12.424 1.00 0.00 O ATOM 523 CB LEU A 38 -1.689 2.733 -11.804 1.00 0.00 C ATOM 524 CG LEU A 38 -0.658 2.439 -10.712 1.00 0.00 C ATOM 525 CD1 LEU A 38 0.643 1.909 -11.316 1.00 0.00 C ATOM 526 CD2 LEU A 38 -0.424 3.669 -9.833 1.00 0.00 C ATOM 0 H LEU A 38 -3.152 0.914 -10.963 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.049 3.747 -10.557 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.698 1.896 -12.502 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.358 3.609 -12.362 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.056 1.655 -10.068 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.359 1.708 -10.519 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.441 0.988 -11.863 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.057 2.652 -11.997 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.313 3.433 -9.065 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.057 4.491 -10.448 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.361 3.961 -9.359 1.00 0.00 H new ATOM 537 N ARG A 39 -4.447 2.625 -13.307 1.00 0.00 N ATOM 538 CA ARG A 39 -5.331 2.998 -14.398 1.00 0.00 C ATOM 539 C ARG A 39 -6.552 3.747 -13.861 1.00 0.00 C ATOM 540 O ARG A 39 -6.958 4.763 -14.422 1.00 0.00 O ATOM 541 CB ARG A 39 -5.800 1.765 -15.175 1.00 0.00 C ATOM 542 CG ARG A 39 -6.806 2.150 -16.260 1.00 0.00 C ATOM 543 CD ARG A 39 -8.195 1.591 -15.943 1.00 0.00 C ATOM 544 NE ARG A 39 -9.018 1.553 -17.173 1.00 0.00 N ATOM 545 CZ ARG A 39 -8.977 0.562 -18.073 1.00 0.00 C ATOM 546 NH1 ARG A 39 -8.152 -0.478 -17.889 1.00 0.00 N ATOM 547 NH2 ARG A 39 -9.759 0.612 -19.160 1.00 0.00 N ATOM 0 H ARG A 39 -4.173 1.643 -13.297 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.769 3.646 -15.071 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.942 1.269 -15.629 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.255 1.050 -14.489 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.858 3.235 -16.345 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.469 1.771 -17.225 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.106 0.589 -15.524 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.682 2.210 -15.189 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.656 2.330 -17.346 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.555 -0.515 -17.063 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.121 -1.232 -18.575 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.385 1.405 -19.302 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.728 -0.143 -19.846 1.00 0.00 H new ATOM 558 N GLU A 40 -7.103 3.216 -12.780 1.00 0.00 N ATOM 559 CA GLU A 40 -8.269 3.821 -12.160 1.00 0.00 C ATOM 560 C GLU A 40 -7.956 4.221 -10.717 1.00 0.00 C ATOM 561 O GLU A 40 -7.887 3.368 -9.833 1.00 0.00 O ATOM 562 CB GLU A 40 -9.474 2.879 -12.218 1.00 0.00 C ATOM 563 CG GLU A 40 -9.024 1.418 -12.278 1.00 0.00 C ATOM 564 CD GLU A 40 -10.217 0.486 -12.497 1.00 0.00 C ATOM 565 OE1 GLU A 40 -11.293 0.803 -11.946 1.00 0.00 O ATOM 566 OE2 GLU A 40 -10.026 -0.523 -13.210 1.00 0.00 O ATOM 0 H GLU A 40 -6.763 2.373 -12.317 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.526 4.721 -12.719 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.104 3.034 -11.342 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.081 3.113 -13.092 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.304 1.288 -13.086 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.515 1.152 -11.351 1.00 0.00 H new ATOM 571 N PRO A 41 -7.770 5.554 -10.517 1.00 0.00 N ATOM 572 CA PRO A 41 -7.465 6.077 -9.196 1.00 0.00 C ATOM 573 C PRO A 41 -8.712 6.083 -8.307 1.00 0.00 C ATOM 574 O PRO A 41 -8.605 6.120 -7.083 1.00 0.00 O ATOM 575 CB PRO A 41 -6.906 7.469 -9.444 1.00 0.00 C ATOM 576 CG PRO A 41 -7.348 7.852 -10.846 1.00 0.00 C ATOM 577 CD PRO A 41 -7.844 6.594 -11.539 1.00 0.00 C ATOM 0 HA PRO A 41 -6.744 5.463 -8.656 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.284 8.178 -8.708 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.819 7.474 -9.362 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.138 8.602 -10.806 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.519 8.292 -11.401 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.864 6.719 -11.904 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.225 6.347 -12.401 1.00 0.00 H new ATOM 582 N GLY A 42 -9.864 6.045 -8.961 1.00 0.00 N ATOM 583 CA GLY A 42 -11.128 6.045 -8.245 1.00 0.00 C ATOM 584 C GLY A 42 -11.418 4.669 -7.641 1.00 0.00 C ATOM 585 O GLY A 42 -11.984 4.571 -6.554 1.00 0.00 O ATOM 0 H GLY A 42 -9.948 6.014 -9.977 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.102 6.795 -7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.934 6.325 -8.923 1.00 0.00 H new ATOM 589 N LEU A 43 -11.015 3.641 -8.374 1.00 0.00 N ATOM 590 CA LEU A 43 -11.224 2.275 -7.923 1.00 0.00 C ATOM 591 C LEU A 43 -10.622 2.105 -6.528 1.00 0.00 C ATOM 592 O LEU A 43 -11.225 1.475 -5.661 1.00 0.00 O ATOM 593 CB LEU A 43 -10.680 1.283 -8.955 1.00 0.00 C ATOM 594 CG LEU A 43 -11.178 -0.158 -8.826 1.00 0.00 C ATOM 595 CD1 LEU A 43 -12.639 -0.274 -9.266 1.00 0.00 C ATOM 596 CD2 LEU A 43 -10.269 -1.123 -9.592 1.00 0.00 C ATOM 0 H LEU A 43 -10.546 3.726 -9.276 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.289 2.059 -7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.936 1.647 -9.950 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.592 1.278 -8.887 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.135 -0.442 -7.775 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.969 -1.308 -9.165 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.259 0.368 -8.640 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.731 0.036 -10.307 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.645 -2.140 -9.484 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.257 -0.851 -10.647 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.257 -1.066 -9.191 1.00 0.00 H new ATOM 607 N LEU A 44 -9.438 2.675 -6.355 1.00 0.00 N ATOM 608 CA LEU A 44 -8.748 2.595 -5.079 1.00 0.00 C ATOM 609 C LEU A 44 -7.771 3.766 -4.958 1.00 0.00 C ATOM 610 O LEU A 44 -6.767 3.817 -5.666 1.00 0.00 O ATOM 611 CB LEU A 44 -8.088 1.224 -4.913 1.00 0.00 C ATOM 612 CG LEU A 44 -7.042 1.114 -3.803 1.00 0.00 C ATOM 613 CD1 LEU A 44 -7.510 1.828 -2.533 1.00 0.00 C ATOM 614 CD2 LEU A 44 -6.676 -0.347 -3.537 1.00 0.00 C ATOM 0 H LEU A 44 -8.939 3.194 -7.078 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.457 2.685 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.869 0.487 -4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.616 0.953 -5.858 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.135 1.617 -4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.747 1.734 -1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.679 2.883 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.438 1.377 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.930 -0.397 -2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.567 -0.896 -3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.269 -0.791 -4.445 1.00 0.00 H new ATOM 625 N ALA A 45 -8.099 4.677 -4.055 1.00 0.00 N ATOM 626 CA ALA A 45 -7.263 5.845 -3.831 1.00 0.00 C ATOM 627 C ALA A 45 -6.385 5.610 -2.600 1.00 0.00 C ATOM 628 O ALA A 45 -6.872 5.166 -1.562 1.00 0.00 O ATOM 629 CB ALA A 45 -8.146 7.086 -3.690 1.00 0.00 C ATOM 0 H ALA A 45 -8.933 4.631 -3.469 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.601 6.012 -4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.519 7.962 -3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.727 7.225 -4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.823 6.957 -2.845 1.00 0.00 H new ATOM 635 N VAL A 46 -5.106 5.918 -2.758 1.00 0.00 N ATOM 636 CA VAL A 46 -4.155 5.746 -1.673 1.00 0.00 C ATOM 637 C VAL A 46 -3.988 7.075 -0.933 1.00 0.00 C ATOM 638 O VAL A 46 -3.451 8.034 -1.485 1.00 0.00 O ATOM 639 CB VAL A 46 -2.836 5.193 -2.215 1.00 0.00 C ATOM 640 CG1 VAL A 46 -1.849 4.916 -1.079 1.00 0.00 C ATOM 641 CG2 VAL A 46 -3.073 3.936 -3.054 1.00 0.00 C ATOM 0 H VAL A 46 -4.706 6.286 -3.621 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.525 5.016 -0.953 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.396 5.951 -2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.920 4.524 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.645 5.842 -0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.279 4.185 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.119 3.563 -3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.546 3.171 -2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.723 4.177 -3.895 1.00 0.00 H new ATOM 651 N GLN A 47 -4.456 7.089 0.307 1.00 0.00 N ATOM 652 CA GLN A 47 -4.364 8.284 1.129 1.00 0.00 C ATOM 653 C GLN A 47 -3.350 8.076 2.256 1.00 0.00 C ATOM 654 O GLN A 47 -2.950 6.947 2.535 1.00 0.00 O ATOM 655 CB GLN A 47 -5.735 8.671 1.689 1.00 0.00 C ATOM 656 CG GLN A 47 -6.611 9.300 0.605 1.00 0.00 C ATOM 657 CD GLN A 47 -6.255 10.773 0.398 1.00 0.00 C ATOM 658 OE1 GLN A 47 -5.945 11.500 1.328 1.00 0.00 O ATOM 659 NE2 GLN A 47 -6.315 11.172 -0.868 1.00 0.00 N ATOM 0 H GLN A 47 -4.900 6.292 0.762 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.018 9.107 0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.229 7.788 2.094 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.610 9.373 2.514 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.484 8.756 -0.331 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.661 9.212 0.884 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.582 10.512 -1.599 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.094 12.138 -1.109 1.00 0.00 H new ATOM 666 N GLY A 48 -2.963 9.184 2.870 1.00 0.00 N ATOM 667 CA GLY A 48 -2.002 9.138 3.960 1.00 0.00 C ATOM 668 C GLY A 48 -0.621 8.716 3.456 1.00 0.00 C ATOM 669 O GLY A 48 0.138 8.072 4.180 1.00 0.00 O ATOM 0 H GLY A 48 -3.297 10.119 2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.937 10.118 4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.344 8.438 4.722 1.00 0.00 H new ATOM 673 N LEU A 49 -0.336 9.095 2.219 1.00 0.00 N ATOM 674 CA LEU A 49 0.941 8.763 1.610 1.00 0.00 C ATOM 675 C LEU A 49 2.021 9.696 2.160 1.00 0.00 C ATOM 676 O LEU A 49 1.712 10.721 2.766 1.00 0.00 O ATOM 677 CB LEU A 49 0.829 8.785 0.084 1.00 0.00 C ATOM 678 CG LEU A 49 0.425 7.466 -0.578 1.00 0.00 C ATOM 679 CD1 LEU A 49 -0.194 7.710 -1.956 1.00 0.00 C ATOM 680 CD2 LEU A 49 1.611 6.501 -0.644 1.00 0.00 C ATOM 0 H LEU A 49 -0.967 9.629 1.622 1.00 0.00 H new ATOM 0 HA LEU A 49 1.234 7.746 1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.102 9.547 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.790 9.095 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.340 6.994 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.472 6.756 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.082 8.334 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.530 8.214 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.298 5.571 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.415 6.952 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.966 6.291 0.365 1.00 0.00 H new ATOM 691 N PRO A 50 3.300 9.298 1.924 1.00 0.00 N ATOM 692 CA PRO A 50 4.427 10.087 2.389 1.00 0.00 C ATOM 693 C PRO A 50 4.619 11.334 1.523 1.00 0.00 C ATOM 694 O PRO A 50 5.088 11.240 0.390 1.00 0.00 O ATOM 695 CB PRO A 50 5.617 9.141 2.340 1.00 0.00 C ATOM 696 CG PRO A 50 5.208 8.006 1.416 1.00 0.00 C ATOM 697 CD PRO A 50 3.704 8.090 1.210 1.00 0.00 C ATOM 0 HA PRO A 50 4.282 10.472 3.398 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.505 9.649 1.965 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.860 8.767 3.335 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.729 8.084 0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.481 7.044 1.850 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.452 8.153 0.151 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.200 7.208 1.606 1.00 0.00 H new ATOM 702 N GLU A 51 4.247 12.472 2.090 1.00 0.00 N ATOM 703 CA GLU A 51 4.371 13.735 1.383 1.00 0.00 C ATOM 704 C GLU A 51 5.604 13.717 0.477 1.00 0.00 C ATOM 705 O GLU A 51 6.631 13.139 0.831 1.00 0.00 O ATOM 706 CB GLU A 51 4.430 14.909 2.364 1.00 0.00 C ATOM 707 CG GLU A 51 3.088 15.095 3.076 1.00 0.00 C ATOM 708 CD GLU A 51 3.222 16.062 4.254 1.00 0.00 C ATOM 709 OE1 GLU A 51 4.060 15.770 5.134 1.00 0.00 O ATOM 710 OE2 GLU A 51 2.483 17.070 4.248 1.00 0.00 O ATOM 0 H GLU A 51 3.860 12.546 3.031 1.00 0.00 H new ATOM 0 HA GLU A 51 3.487 13.868 0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.215 14.734 3.100 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.692 15.822 1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.348 15.475 2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.724 14.131 3.432 1.00 0.00 H new ATOM 715 N GLY A 52 5.462 14.357 -0.674 1.00 0.00 N ATOM 716 CA GLY A 52 6.551 14.422 -1.634 1.00 0.00 C ATOM 717 C GLY A 52 6.788 13.059 -2.288 1.00 0.00 C ATOM 718 O GLY A 52 7.910 12.556 -2.294 1.00 0.00 O ATOM 0 H GLY A 52 4.609 14.835 -0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.321 15.162 -2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.462 14.753 -1.134 1.00 0.00 H new ATOM 722 N LEU A 53 5.712 12.501 -2.822 1.00 0.00 N ATOM 723 CA LEU A 53 5.788 11.205 -3.476 1.00 0.00 C ATOM 724 C LEU A 53 4.571 11.027 -4.386 1.00 0.00 C ATOM 725 O LEU A 53 3.820 11.973 -4.619 1.00 0.00 O ATOM 726 CB LEU A 53 5.951 10.090 -2.442 1.00 0.00 C ATOM 727 CG LEU A 53 7.389 9.679 -2.120 1.00 0.00 C ATOM 728 CD1 LEU A 53 7.417 8.436 -1.228 1.00 0.00 C ATOM 729 CD2 LEU A 53 8.204 9.485 -3.400 1.00 0.00 C ATOM 0 H LEU A 53 4.783 12.922 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 53 6.673 11.150 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.469 10.406 -1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.414 9.211 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 53 7.858 10.488 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.451 8.165 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.896 8.647 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.924 7.610 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.222 9.193 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.746 8.705 -4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.225 10.418 -3.963 1.00 0.00 H new ATOM 740 N ALA A 54 4.414 9.806 -4.879 1.00 0.00 N ATOM 741 CA ALA A 54 3.302 9.492 -5.759 1.00 0.00 C ATOM 742 C ALA A 54 3.003 7.993 -5.680 1.00 0.00 C ATOM 743 O ALA A 54 3.921 7.175 -5.654 1.00 0.00 O ATOM 744 CB ALA A 54 3.631 9.947 -7.182 1.00 0.00 C ATOM 0 H ALA A 54 5.039 9.023 -4.685 1.00 0.00 H new ATOM 0 HA ALA A 54 2.404 10.025 -5.447 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.796 9.711 -7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.806 11.023 -7.189 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.526 9.432 -7.531 1.00 0.00 H new ATOM 750 N PHE A 55 1.716 7.680 -5.644 1.00 0.00 N ATOM 751 CA PHE A 55 1.286 6.294 -5.569 1.00 0.00 C ATOM 752 C PHE A 55 1.814 5.490 -6.758 1.00 0.00 C ATOM 753 O PHE A 55 1.367 5.680 -7.889 1.00 0.00 O ATOM 754 CB PHE A 55 -0.243 6.298 -5.610 1.00 0.00 C ATOM 755 CG PHE A 55 -0.864 4.918 -5.839 1.00 0.00 C ATOM 756 CD1 PHE A 55 -0.461 3.859 -5.085 1.00 0.00 C ATOM 757 CD2 PHE A 55 -1.816 4.750 -6.793 1.00 0.00 C ATOM 758 CE1 PHE A 55 -1.038 2.578 -5.296 1.00 0.00 C ATOM 759 CE2 PHE A 55 -2.392 3.468 -7.005 1.00 0.00 C ATOM 760 CZ PHE A 55 -1.990 2.410 -6.252 1.00 0.00 C ATOM 0 H PHE A 55 0.958 8.362 -5.665 1.00 0.00 H new ATOM 0 HA PHE A 55 1.668 5.835 -4.657 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.620 6.703 -4.671 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.573 6.970 -6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.297 3.992 -4.327 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.135 5.591 -7.391 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.720 1.737 -4.697 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.149 3.334 -7.764 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.427 1.436 -6.413 1.00 0.00 H new ATOM 769 N ARG A 56 2.758 4.609 -6.463 1.00 0.00 N ATOM 770 CA ARG A 56 3.353 3.775 -7.495 1.00 0.00 C ATOM 771 C ARG A 56 4.097 2.597 -6.861 1.00 0.00 C ATOM 772 O ARG A 56 4.388 2.612 -5.667 1.00 0.00 O ATOM 773 CB ARG A 56 4.326 4.579 -8.360 1.00 0.00 C ATOM 774 CG ARG A 56 5.033 5.655 -7.533 1.00 0.00 C ATOM 775 CD ARG A 56 6.510 5.762 -7.923 1.00 0.00 C ATOM 776 NE ARG A 56 6.633 6.348 -9.276 1.00 0.00 N ATOM 777 CZ ARG A 56 7.803 6.588 -9.888 1.00 0.00 C ATOM 778 NH1 ARG A 56 8.954 6.292 -9.269 1.00 0.00 N ATOM 779 NH2 ARG A 56 7.819 7.121 -11.117 1.00 0.00 N ATOM 0 H ARG A 56 3.126 4.454 -5.524 1.00 0.00 H new ATOM 0 HA ARG A 56 2.547 3.402 -8.127 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.065 3.910 -8.801 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.786 5.045 -9.184 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.542 6.616 -7.684 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.949 5.418 -6.472 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.042 6.380 -7.200 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.973 4.776 -7.901 1.00 0.00 H new ATOM 0 HE ARG A 56 5.775 6.584 -9.775 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.940 5.885 -8.334 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.844 6.474 -9.733 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.942 7.344 -11.587 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.708 7.303 -11.582 1.00 0.00 H new ATOM 790 N ARG A 57 4.384 1.605 -7.692 1.00 0.00 N ATOM 791 CA ARG A 57 5.089 0.422 -7.229 1.00 0.00 C ATOM 792 C ARG A 57 6.147 0.806 -6.193 1.00 0.00 C ATOM 793 O ARG A 57 6.723 1.890 -6.261 1.00 0.00 O ATOM 794 CB ARG A 57 5.764 -0.307 -8.392 1.00 0.00 C ATOM 795 CG ARG A 57 5.008 -1.589 -8.748 1.00 0.00 C ATOM 796 CD ARG A 57 5.320 -2.029 -10.180 1.00 0.00 C ATOM 797 NE ARG A 57 4.065 -2.173 -10.951 1.00 0.00 N ATOM 798 CZ ARG A 57 3.994 -2.703 -12.179 1.00 0.00 C ATOM 799 NH1 ARG A 57 5.105 -3.141 -12.785 1.00 0.00 N ATOM 800 NH2 ARG A 57 2.811 -2.793 -12.803 1.00 0.00 N ATOM 0 H ARG A 57 4.141 1.597 -8.683 1.00 0.00 H new ATOM 0 HA ARG A 57 4.356 -0.244 -6.774 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.805 0.349 -9.262 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.793 -0.549 -8.126 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.282 -2.382 -8.052 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.936 -1.425 -8.639 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.970 -1.297 -10.660 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.860 -2.976 -10.169 1.00 0.00 H new ATOM 0 HE ARG A 57 3.199 -1.848 -10.520 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.006 -3.071 -12.311 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.051 -3.545 -13.720 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.965 -2.458 -12.343 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.757 -3.197 -13.738 1.00 0.00 H new ATOM 811 N PRO A 58 6.377 -0.129 -5.232 1.00 0.00 N ATOM 812 CA PRO A 58 7.356 0.101 -4.183 1.00 0.00 C ATOM 813 C PRO A 58 8.780 -0.051 -4.720 1.00 0.00 C ATOM 814 O PRO A 58 9.731 0.440 -4.114 1.00 0.00 O ATOM 815 CB PRO A 58 7.018 -0.913 -3.101 1.00 0.00 C ATOM 816 CG PRO A 58 6.165 -1.974 -3.776 1.00 0.00 C ATOM 817 CD PRO A 58 5.713 -1.425 -5.120 1.00 0.00 C ATOM 0 HA PRO A 58 7.317 1.115 -3.786 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.923 -1.350 -2.679 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.478 -0.442 -2.279 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.736 -2.893 -3.912 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.304 -2.222 -3.156 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.000 -2.089 -5.936 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.629 -1.320 -5.161 1.00 0.00 H new ATOM 822 N ALA A 59 8.883 -0.732 -5.851 1.00 0.00 N ATOM 823 CA ALA A 59 10.175 -0.955 -6.477 1.00 0.00 C ATOM 824 C ALA A 59 10.521 0.244 -7.364 1.00 0.00 C ATOM 825 O ALA A 59 11.679 0.435 -7.731 1.00 0.00 O ATOM 826 CB ALA A 59 10.145 -2.269 -7.260 1.00 0.00 C ATOM 0 H ALA A 59 8.092 -1.137 -6.351 1.00 0.00 H new ATOM 0 HA ALA A 59 10.956 -1.044 -5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.115 -2.435 -7.729 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.925 -3.092 -6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.374 -2.217 -8.029 1.00 0.00 H new ATOM 832 N GLU A 60 9.495 1.020 -7.681 1.00 0.00 N ATOM 833 CA GLU A 60 9.675 2.194 -8.517 1.00 0.00 C ATOM 834 C GLU A 60 9.989 3.418 -7.654 1.00 0.00 C ATOM 835 O GLU A 60 10.473 4.430 -8.157 1.00 0.00 O ATOM 836 CB GLU A 60 8.443 2.441 -9.390 1.00 0.00 C ATOM 837 CG GLU A 60 8.327 1.381 -10.487 1.00 0.00 C ATOM 838 CD GLU A 60 8.343 2.024 -11.875 1.00 0.00 C ATOM 839 OE1 GLU A 60 7.347 2.709 -12.194 1.00 0.00 O ATOM 840 OE2 GLU A 60 9.349 1.816 -12.585 1.00 0.00 O ATOM 0 H GLU A 60 8.536 0.858 -7.374 1.00 0.00 H new ATOM 0 HA GLU A 60 10.520 2.015 -9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.546 2.429 -8.771 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.505 3.431 -9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.151 0.672 -10.401 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.405 0.815 -10.355 1.00 0.00 H new ATOM 845 N TYR A 61 9.702 3.284 -6.368 1.00 0.00 N ATOM 846 CA TYR A 61 9.947 4.366 -5.429 1.00 0.00 C ATOM 847 C TYR A 61 11.446 4.545 -5.179 1.00 0.00 C ATOM 848 O TYR A 61 12.254 3.725 -5.611 1.00 0.00 O ATOM 849 CB TYR A 61 9.270 3.951 -4.121 1.00 0.00 C ATOM 850 CG TYR A 61 7.896 4.589 -3.902 1.00 0.00 C ATOM 851 CD1 TYR A 61 7.683 5.905 -4.256 1.00 0.00 C ATOM 852 CD2 TYR A 61 6.872 3.847 -3.350 1.00 0.00 C ATOM 853 CE1 TYR A 61 6.390 6.506 -4.050 1.00 0.00 C ATOM 854 CE2 TYR A 61 5.579 4.448 -3.143 1.00 0.00 C ATOM 855 CZ TYR A 61 5.402 5.748 -3.503 1.00 0.00 C ATOM 856 OH TYR A 61 4.181 6.314 -3.309 1.00 0.00 O ATOM 0 H TYR A 61 9.302 2.442 -5.954 1.00 0.00 H new ATOM 0 HA TYR A 61 9.561 5.308 -5.819 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.162 2.866 -4.108 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.920 4.217 -3.287 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.485 6.485 -4.688 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.040 2.817 -3.073 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.209 7.535 -4.324 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.768 3.879 -2.712 1.00 0.00 H new ATOM 0 HH TYR A 61 4.105 7.123 -3.856 1.00 0.00 H new ATOM 865 N ASP A 62 11.772 5.624 -4.483 1.00 0.00 N ATOM 866 CA ASP A 62 13.160 5.922 -4.170 1.00 0.00 C ATOM 867 C ASP A 62 13.565 5.170 -2.901 1.00 0.00 C ATOM 868 O ASP A 62 12.764 4.429 -2.332 1.00 0.00 O ATOM 869 CB ASP A 62 13.358 7.418 -3.918 1.00 0.00 C ATOM 870 CG ASP A 62 12.178 8.304 -4.318 1.00 0.00 C ATOM 871 OD1 ASP A 62 11.750 8.186 -5.487 1.00 0.00 O ATOM 872 OD2 ASP A 62 11.728 9.079 -3.446 1.00 0.00 O ATOM 0 H ASP A 62 11.099 6.303 -4.127 1.00 0.00 H new ATOM 0 HA ASP A 62 13.771 5.616 -5.019 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.562 7.568 -2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.242 7.749 -4.463 1.00 0.00 H new ATOM 876 N PRO A 63 14.839 5.392 -2.483 1.00 0.00 N ATOM 877 CA PRO A 63 15.361 4.744 -1.291 1.00 0.00 C ATOM 878 C PRO A 63 14.795 5.390 -0.024 1.00 0.00 C ATOM 879 O PRO A 63 14.232 4.706 0.828 1.00 0.00 O ATOM 880 CB PRO A 63 16.871 4.874 -1.401 1.00 0.00 C ATOM 881 CG PRO A 63 17.122 5.989 -2.404 1.00 0.00 C ATOM 882 CD PRO A 63 15.815 6.264 -3.131 1.00 0.00 C ATOM 0 HA PRO A 63 15.070 3.696 -1.220 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.314 5.112 -0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.320 3.939 -1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.473 6.887 -1.896 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.899 5.699 -3.111 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.528 7.312 -3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.899 6.042 -4.195 1.00 0.00 H new ATOM 887 N LYS A 64 14.967 6.702 0.060 1.00 0.00 N ATOM 888 CA LYS A 64 14.481 7.449 1.207 1.00 0.00 C ATOM 889 C LYS A 64 12.952 7.405 1.229 1.00 0.00 C ATOM 890 O LYS A 64 12.337 7.560 2.283 1.00 0.00 O ATOM 891 CB LYS A 64 15.056 8.865 1.208 1.00 0.00 C ATOM 892 CG LYS A 64 16.462 8.887 1.813 1.00 0.00 C ATOM 893 CD LYS A 64 17.527 8.696 0.732 1.00 0.00 C ATOM 894 CE LYS A 64 18.871 9.278 1.178 1.00 0.00 C ATOM 895 NZ LYS A 64 19.890 8.211 1.277 1.00 0.00 N ATOM 0 H LYS A 64 15.436 7.266 -0.648 1.00 0.00 H new ATOM 0 HA LYS A 64 14.826 6.990 2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.089 9.248 0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.402 9.526 1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.626 9.834 2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.552 8.099 2.561 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.641 7.634 0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.205 9.180 -0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.199 10.037 0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 64 18.758 9.772 2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.795 8.623 1.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.582 7.501 1.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 20.010 7.758 0.348 1.00 0.00 H new ATOM 905 N ALA A 65 12.382 7.195 0.052 1.00 0.00 N ATOM 906 CA ALA A 65 10.936 7.130 -0.078 1.00 0.00 C ATOM 907 C ALA A 65 10.409 5.939 0.725 1.00 0.00 C ATOM 908 O ALA A 65 9.609 6.110 1.643 1.00 0.00 O ATOM 909 CB ALA A 65 10.560 7.046 -1.559 1.00 0.00 C ATOM 0 H ALA A 65 12.895 7.068 -0.820 1.00 0.00 H new ATOM 0 HA ALA A 65 10.474 8.031 0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.475 6.997 -1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.932 7.929 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.004 6.152 -1.997 1.00 0.00 H new ATOM 915 N LEU A 66 10.879 4.758 0.350 1.00 0.00 N ATOM 916 CA LEU A 66 10.465 3.539 1.024 1.00 0.00 C ATOM 917 C LEU A 66 10.501 3.761 2.537 1.00 0.00 C ATOM 918 O LEU A 66 9.554 3.412 3.241 1.00 0.00 O ATOM 919 CB LEU A 66 11.313 2.354 0.556 1.00 0.00 C ATOM 920 CG LEU A 66 11.223 2.011 -0.931 1.00 0.00 C ATOM 921 CD1 LEU A 66 12.248 0.941 -1.311 1.00 0.00 C ATOM 922 CD2 LEU A 66 9.800 1.601 -1.315 1.00 0.00 C ATOM 0 H LEU A 66 11.543 4.620 -0.412 1.00 0.00 H new ATOM 0 HA LEU A 66 9.437 3.289 0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.355 2.561 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.021 1.475 1.130 1.00 0.00 H new ATOM 0 HG LEU A 66 11.466 2.907 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.162 0.716 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.252 1.307 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.061 0.036 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.764 1.362 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.505 0.726 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.115 2.423 -1.104 1.00 0.00 H new ATOM 933 N MET A 67 11.601 4.341 2.993 1.00 0.00 N ATOM 934 CA MET A 67 11.772 4.614 4.410 1.00 0.00 C ATOM 935 C MET A 67 10.743 5.636 4.899 1.00 0.00 C ATOM 936 O MET A 67 10.339 5.608 6.061 1.00 0.00 O ATOM 937 CB MET A 67 13.183 5.149 4.660 1.00 0.00 C ATOM 938 CG MET A 67 14.173 4.004 4.883 1.00 0.00 C ATOM 939 SD MET A 67 15.845 4.630 4.867 1.00 0.00 S ATOM 940 CE MET A 67 16.171 4.596 3.112 1.00 0.00 C ATOM 0 H MET A 67 12.383 4.630 2.406 1.00 0.00 H new ATOM 0 HA MET A 67 11.624 3.685 4.961 1.00 0.00 H new ATOM 0 HB2 MET A 67 13.503 5.751 3.810 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.178 5.805 5.531 1.00 0.00 H new ATOM 0 HG2 MET A 67 13.968 3.516 5.836 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.051 3.250 4.105 1.00 0.00 H new ATOM 0 HE1 MET A 67 16.925 3.838 2.897 1.00 0.00 H new ATOM 0 HE2 MET A 67 15.253 4.357 2.576 1.00 0.00 H new ATOM 0 HE3 MET A 67 16.535 5.572 2.791 1.00 0.00 H new ATOM 948 N ALA A 68 10.349 6.513 3.989 1.00 0.00 N ATOM 949 CA ALA A 68 9.375 7.542 4.313 1.00 0.00 C ATOM 950 C ALA A 68 7.969 6.943 4.252 1.00 0.00 C ATOM 951 O ALA A 68 7.017 7.530 4.767 1.00 0.00 O ATOM 952 CB ALA A 68 9.546 8.726 3.358 1.00 0.00 C ATOM 0 H ALA A 68 10.686 6.533 3.027 1.00 0.00 H new ATOM 0 HA ALA A 68 9.532 7.914 5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.816 9.498 3.601 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.552 9.133 3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.392 8.391 2.332 1.00 0.00 H new ATOM 958 N ILE A 69 7.880 5.782 3.620 1.00 0.00 N ATOM 959 CA ILE A 69 6.605 5.098 3.486 1.00 0.00 C ATOM 960 C ILE A 69 6.345 4.263 4.741 1.00 0.00 C ATOM 961 O ILE A 69 5.237 4.268 5.276 1.00 0.00 O ATOM 962 CB ILE A 69 6.567 4.287 2.189 1.00 0.00 C ATOM 963 CG1 ILE A 69 6.722 5.197 0.969 1.00 0.00 C ATOM 964 CG2 ILE A 69 5.297 3.436 2.113 1.00 0.00 C ATOM 965 CD1 ILE A 69 7.478 4.484 -0.154 1.00 0.00 C ATOM 0 H ILE A 69 8.670 5.297 3.195 1.00 0.00 H new ATOM 0 HA ILE A 69 5.791 5.819 3.408 1.00 0.00 H new ATOM 0 HB ILE A 69 7.415 3.602 2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.739 5.504 0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.256 6.104 1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.294 2.869 1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.270 2.747 2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.422 4.085 2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.574 5.153 -1.009 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.470 4.200 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.929 3.591 -0.452 1.00 0.00 H new ATOM 976 N LEU A 70 7.385 3.565 5.175 1.00 0.00 N ATOM 977 CA LEU A 70 7.282 2.728 6.358 1.00 0.00 C ATOM 978 C LEU A 70 7.065 3.612 7.588 1.00 0.00 C ATOM 979 O LEU A 70 6.518 3.161 8.593 1.00 0.00 O ATOM 980 CB LEU A 70 8.500 1.807 6.470 1.00 0.00 C ATOM 981 CG LEU A 70 8.897 1.063 5.193 1.00 0.00 C ATOM 982 CD1 LEU A 70 10.399 0.772 5.173 1.00 0.00 C ATOM 983 CD2 LEU A 70 8.065 -0.208 5.018 1.00 0.00 C ATOM 0 H LEU A 70 8.302 3.562 4.729 1.00 0.00 H new ATOM 0 HA LEU A 70 6.417 2.069 6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.352 2.402 6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.304 1.071 7.250 1.00 0.00 H new ATOM 0 HG LEU A 70 8.682 1.708 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.655 0.243 4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.952 1.710 5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.662 0.155 6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.367 -0.718 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.225 -0.868 5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.009 0.054 4.955 1.00 0.00 H new ATOM 994 N GLU A 71 7.506 4.856 7.467 1.00 0.00 N ATOM 995 CA GLU A 71 7.368 5.808 8.556 1.00 0.00 C ATOM 996 C GLU A 71 6.017 6.521 8.468 1.00 0.00 C ATOM 997 O GLU A 71 5.356 6.734 9.484 1.00 0.00 O ATOM 998 CB GLU A 71 8.521 6.813 8.556 1.00 0.00 C ATOM 999 CG GLU A 71 9.740 6.249 9.287 1.00 0.00 C ATOM 1000 CD GLU A 71 10.382 7.310 10.183 1.00 0.00 C ATOM 1001 OE1 GLU A 71 10.916 8.287 9.614 1.00 0.00 O ATOM 1002 OE2 GLU A 71 10.323 7.122 11.418 1.00 0.00 O ATOM 0 H GLU A 71 7.959 5.226 6.632 1.00 0.00 H new ATOM 0 HA GLU A 71 7.408 5.262 9.498 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.791 7.062 7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.201 7.738 9.035 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.442 5.391 9.890 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.470 5.891 8.561 1.00 0.00 H new ATOM 1007 N HIS A 72 5.647 6.872 7.245 1.00 0.00 N ATOM 1008 CA HIS A 72 4.388 7.558 7.011 1.00 0.00 C ATOM 1009 C HIS A 72 3.250 6.537 6.963 1.00 0.00 C ATOM 1010 O HIS A 72 2.077 6.908 6.977 1.00 0.00 O ATOM 1011 CB HIS A 72 4.465 8.421 5.750 1.00 0.00 C ATOM 1012 CG HIS A 72 5.430 9.577 5.855 1.00 0.00 C ATOM 1013 ND1 HIS A 72 5.090 10.872 5.503 1.00 0.00 N ATOM 1014 CD2 HIS A 72 6.726 9.622 6.278 1.00 0.00 C ATOM 1015 CE1 HIS A 72 6.141 11.651 5.708 1.00 0.00 C ATOM 1016 NE2 HIS A 72 7.155 10.875 6.188 1.00 0.00 N ATOM 0 H HIS A 72 6.198 6.694 6.405 1.00 0.00 H new ATOM 0 HA HIS A 72 4.183 8.241 7.835 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.758 7.792 4.909 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.471 8.810 5.527 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.305 8.780 6.627 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.187 12.715 5.527 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.088 11.203 6.437 1.00 0.00 H new ATOM 1023 N SER A 73 3.635 5.270 6.905 1.00 0.00 N ATOM 1024 CA SER A 73 2.661 4.193 6.854 1.00 0.00 C ATOM 1025 C SER A 73 1.575 4.419 7.908 1.00 0.00 C ATOM 1026 O SER A 73 0.406 4.120 7.673 1.00 0.00 O ATOM 1027 CB SER A 73 3.331 2.834 7.066 1.00 0.00 C ATOM 1028 OG SER A 73 3.273 2.417 8.427 1.00 0.00 O ATOM 0 H SER A 73 4.608 4.965 6.892 1.00 0.00 H new ATOM 0 HA SER A 73 2.204 4.192 5.865 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.845 2.088 6.437 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.372 2.889 6.748 1.00 0.00 H new ATOM 0 HG SER A 73 3.710 1.545 8.521 1.00 0.00 H new ATOM 1033 N HIS A 74 2.001 4.946 9.047 1.00 0.00 N ATOM 1034 CA HIS A 74 1.079 5.216 10.137 1.00 0.00 C ATOM 1035 C HIS A 74 -0.103 6.038 9.618 1.00 0.00 C ATOM 1036 O HIS A 74 -1.169 6.056 10.233 1.00 0.00 O ATOM 1037 CB HIS A 74 1.802 5.889 11.306 1.00 0.00 C ATOM 1038 CG HIS A 74 2.018 7.372 11.122 1.00 0.00 C ATOM 1039 ND1 HIS A 74 3.032 7.890 10.336 1.00 0.00 N ATOM 1040 CD2 HIS A 74 1.340 8.442 11.629 1.00 0.00 C ATOM 1041 CE1 HIS A 74 2.959 9.212 10.376 1.00 0.00 C ATOM 1042 NE2 HIS A 74 1.910 9.551 11.179 1.00 0.00 N ATOM 0 H HIS A 74 2.972 5.193 9.238 1.00 0.00 H new ATOM 0 HA HIS A 74 0.682 4.277 10.523 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.227 5.726 12.218 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.769 5.406 11.448 1.00 0.00 H new ATOM 0 HD1 HIS A 74 3.719 7.346 9.814 1.00 0.00 H new ATOM 0 HD2 HIS A 74 0.484 8.394 12.286 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.615 9.900 9.863 1.00 0.00 H new ATOM 1049 N ARG A 75 0.126 6.699 8.492 1.00 0.00 N ATOM 1050 CA ARG A 75 -0.907 7.521 7.884 1.00 0.00 C ATOM 1051 C ARG A 75 -1.472 6.829 6.643 1.00 0.00 C ATOM 1052 O ARG A 75 -2.665 6.929 6.360 1.00 0.00 O ATOM 1053 CB ARG A 75 -0.357 8.893 7.491 1.00 0.00 C ATOM 1054 CG ARG A 75 0.736 9.344 8.461 1.00 0.00 C ATOM 1055 CD ARG A 75 0.841 10.871 8.498 1.00 0.00 C ATOM 1056 NE ARG A 75 -0.433 11.453 8.978 1.00 0.00 N ATOM 1057 CZ ARG A 75 -1.411 11.887 8.171 1.00 0.00 C ATOM 1058 NH1 ARG A 75 -1.269 11.807 6.841 1.00 0.00 N ATOM 1059 NH2 ARG A 75 -2.533 12.401 8.694 1.00 0.00 N ATOM 0 H ARG A 75 1.011 6.682 7.985 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.700 7.658 8.619 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.045 8.851 6.479 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.165 9.624 7.483 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.519 8.967 9.460 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.693 8.917 8.160 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.658 11.172 9.154 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.073 11.252 7.504 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.575 11.528 9.985 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.416 11.415 6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.014 12.138 6.228 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.643 12.462 9.706 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.277 12.731 8.080 1.00 0.00 H new ATOM 1070 N ILE A 76 -0.588 6.144 5.932 1.00 0.00 N ATOM 1071 CA ILE A 76 -0.985 5.436 4.726 1.00 0.00 C ATOM 1072 C ILE A 76 -2.308 4.711 4.977 1.00 0.00 C ATOM 1073 O ILE A 76 -2.401 3.875 5.874 1.00 0.00 O ATOM 1074 CB ILE A 76 0.142 4.515 4.252 1.00 0.00 C ATOM 1075 CG1 ILE A 76 1.384 5.321 3.866 1.00 0.00 C ATOM 1076 CG2 ILE A 76 -0.333 3.612 3.112 1.00 0.00 C ATOM 1077 CD1 ILE A 76 2.462 4.413 3.269 1.00 0.00 C ATOM 0 H ILE A 76 0.401 6.064 6.168 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.157 6.138 3.910 1.00 0.00 H new ATOM 0 HB ILE A 76 0.425 3.866 5.081 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.112 6.092 3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.779 5.831 4.745 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.486 2.967 2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.165 2.998 3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.659 4.226 2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.334 5.010 3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.749 3.658 4.001 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.072 3.923 2.377 1.00 0.00 H new ATOM 1088 N ARG A 77 -3.299 5.057 4.168 1.00 0.00 N ATOM 1089 CA ARG A 77 -4.613 4.449 4.290 1.00 0.00 C ATOM 1090 C ARG A 77 -5.234 4.247 2.907 1.00 0.00 C ATOM 1091 O ARG A 77 -5.251 5.166 2.089 1.00 0.00 O ATOM 1092 CB ARG A 77 -5.543 5.318 5.139 1.00 0.00 C ATOM 1093 CG ARG A 77 -5.240 5.153 6.629 1.00 0.00 C ATOM 1094 CD ARG A 77 -5.994 3.957 7.213 1.00 0.00 C ATOM 1095 NE ARG A 77 -5.041 3.015 7.840 1.00 0.00 N ATOM 1096 CZ ARG A 77 -5.405 1.915 8.514 1.00 0.00 C ATOM 1097 NH1 ARG A 77 -6.703 1.613 8.654 1.00 0.00 N ATOM 1098 NH2 ARG A 77 -4.470 1.118 9.050 1.00 0.00 N ATOM 0 H ARG A 77 -3.218 5.751 3.425 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.489 3.483 4.780 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.429 6.364 4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.580 5.046 4.943 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.168 5.017 6.773 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.521 6.061 7.163 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.719 4.299 7.952 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.554 3.451 6.427 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.045 3.215 7.754 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.415 2.220 8.248 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.979 0.776 9.167 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.482 1.349 8.945 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.747 0.281 9.563 1.00 0.00 H new ATOM 1109 N PHE A 78 -5.732 3.039 2.689 1.00 0.00 N ATOM 1110 CA PHE A 78 -6.354 2.704 1.419 1.00 0.00 C ATOM 1111 C PHE A 78 -7.841 3.062 1.425 1.00 0.00 C ATOM 1112 O PHE A 78 -8.498 2.985 2.463 1.00 0.00 O ATOM 1113 CB PHE A 78 -6.207 1.192 1.234 1.00 0.00 C ATOM 1114 CG PHE A 78 -4.829 0.758 0.728 1.00 0.00 C ATOM 1115 CD1 PHE A 78 -3.705 1.194 1.357 1.00 0.00 C ATOM 1116 CD2 PHE A 78 -4.730 -0.066 -0.350 1.00 0.00 C ATOM 1117 CE1 PHE A 78 -2.428 0.791 0.887 1.00 0.00 C ATOM 1118 CE2 PHE A 78 -3.452 -0.469 -0.819 1.00 0.00 C ATOM 1119 CZ PHE A 78 -2.328 -0.032 -0.191 1.00 0.00 C ATOM 0 H PHE A 78 -5.718 2.280 3.370 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.877 3.261 0.613 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.405 0.699 2.186 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.966 0.847 0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.784 1.847 2.214 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.623 -0.413 -0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.535 1.138 1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.373 -1.123 -1.675 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.356 -0.338 -0.548 1.00 0.00 H new ATOM 1128 N LYS A 79 -8.329 3.448 0.255 1.00 0.00 N ATOM 1129 CA LYS A 79 -9.727 3.819 0.112 1.00 0.00 C ATOM 1130 C LYS A 79 -10.309 3.130 -1.123 1.00 0.00 C ATOM 1131 O LYS A 79 -9.871 3.384 -2.245 1.00 0.00 O ATOM 1132 CB LYS A 79 -9.877 5.341 0.097 1.00 0.00 C ATOM 1133 CG LYS A 79 -10.198 5.876 1.494 1.00 0.00 C ATOM 1134 CD LYS A 79 -11.709 5.921 1.731 1.00 0.00 C ATOM 1135 CE LYS A 79 -12.307 7.230 1.212 1.00 0.00 C ATOM 1136 NZ LYS A 79 -13.784 7.177 1.256 1.00 0.00 N ATOM 0 H LYS A 79 -7.781 3.512 -0.603 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.304 3.474 0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.957 5.797 -0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.669 5.625 -0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.727 5.243 2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.778 6.875 1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.184 5.077 1.232 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.917 5.819 2.796 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.949 8.065 1.815 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.974 7.409 0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.174 8.073 0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.121 6.393 0.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.097 7.028 2.237 1.00 0.00 H new ATOM 1146 N LEU A 80 -11.288 2.272 -0.876 1.00 0.00 N ATOM 1147 CA LEU A 80 -11.934 1.545 -1.955 1.00 0.00 C ATOM 1148 C LEU A 80 -13.110 2.368 -2.486 1.00 0.00 C ATOM 1149 O LEU A 80 -13.719 3.138 -1.745 1.00 0.00 O ATOM 1150 CB LEU A 80 -12.327 0.140 -1.493 1.00 0.00 C ATOM 1151 CG LEU A 80 -11.218 -0.913 -1.532 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -11.753 -2.289 -1.129 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -10.537 -0.943 -2.902 1.00 0.00 C ATOM 0 H LEU A 80 -11.649 2.064 0.055 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.243 1.402 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.702 0.206 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.153 -0.207 -2.114 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.459 -0.635 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.944 -3.019 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.154 -2.241 -0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.543 -2.588 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.753 -1.700 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.273 -1.183 -3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.099 0.033 -3.112 1.00 0.00 H new ATOM 1164 N LYS A 81 -13.393 2.178 -3.766 1.00 0.00 N ATOM 1165 CA LYS A 81 -14.484 2.893 -4.406 1.00 0.00 C ATOM 1166 C LYS A 81 -15.761 2.706 -3.584 1.00 0.00 C ATOM 1167 O LYS A 81 -16.345 3.677 -3.105 1.00 0.00 O ATOM 1168 CB LYS A 81 -14.625 2.463 -5.867 1.00 0.00 C ATOM 1169 CG LYS A 81 -14.998 3.651 -6.755 1.00 0.00 C ATOM 1170 CD LYS A 81 -15.429 3.181 -8.146 1.00 0.00 C ATOM 1171 CE LYS A 81 -16.890 2.728 -8.145 1.00 0.00 C ATOM 1172 NZ LYS A 81 -17.557 3.124 -9.405 1.00 0.00 N ATOM 0 H LYS A 81 -12.885 1.539 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.274 3.962 -4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.688 2.026 -6.213 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.388 1.689 -5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.806 4.217 -6.292 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.146 4.326 -6.843 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.296 3.990 -8.864 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.790 2.359 -8.470 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.941 1.646 -8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.413 3.169 -7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -18.548 2.809 -9.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.525 4.159 -9.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -17.068 2.683 -10.210 1.00 0.00 H new