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 135:sc= -1.91 (180deg=-4.96!) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.537 USER MOD Single : A 21 SER OG : rot 124:sc= 0.208 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 2:sc= 0.95 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 74:sc= 0.247 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -116:sc= -2.21! (180deg=-5.3!) USER MOD Single : A 72 HIS : no HD1:sc= -4.5! C(o=-4.5!,f=-5!) USER MOD Single : A 73 SER OG : rot 180:sc= -0.075 USER MOD Single : A 74 HIS : no HE2:sc= -5.17! C(o=-5.2!,f=-12!) 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 13.768 -2.933 2.130 1.00 0.00 N ATOM 63 CA LEU A 8 12.942 -1.739 2.187 1.00 0.00 C ATOM 64 C LEU A 8 11.756 -1.899 1.234 1.00 0.00 C ATOM 65 O LEU A 8 10.602 -1.855 1.661 1.00 0.00 O ATOM 66 CB LEU A 8 13.784 -0.492 1.915 1.00 0.00 C ATOM 67 CG LEU A 8 14.285 0.261 3.150 1.00 0.00 C ATOM 68 CD1 LEU A 8 15.004 1.552 2.749 1.00 0.00 C ATOM 69 CD2 LEU A 8 13.143 0.523 4.132 1.00 0.00 C ATOM 0 HA LEU A 8 12.532 -1.607 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.647 -0.784 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.194 0.196 1.309 1.00 0.00 H new ATOM 0 HG LEU A 8 15.013 -0.368 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.350 2.069 3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.858 1.311 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.316 2.196 2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.526 1.059 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.375 1.123 3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.713 -0.426 4.452 1.00 0.00 H new ATOM 80 N ARG A 9 12.079 -2.082 -0.037 1.00 0.00 N ATOM 81 CA ARG A 9 11.053 -2.249 -1.053 1.00 0.00 C ATOM 82 C ARG A 9 10.183 -3.467 -0.735 1.00 0.00 C ATOM 83 O ARG A 9 8.995 -3.484 -1.050 1.00 0.00 O ATOM 84 CB ARG A 9 11.676 -2.424 -2.440 1.00 0.00 C ATOM 85 CG ARG A 9 10.601 -2.413 -3.529 1.00 0.00 C ATOM 86 CD ARG A 9 10.791 -3.582 -4.499 1.00 0.00 C ATOM 87 NE ARG A 9 12.032 -3.394 -5.281 1.00 0.00 N ATOM 88 CZ ARG A 9 12.625 -4.363 -5.992 1.00 0.00 C ATOM 89 NH1 ARG A 9 12.094 -5.593 -6.022 1.00 0.00 N ATOM 90 NH2 ARG A 9 13.750 -4.102 -6.671 1.00 0.00 N ATOM 0 H ARG A 9 13.036 -2.118 -0.387 1.00 0.00 H new ATOM 0 HA ARG A 9 10.437 -1.349 -1.054 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.393 -1.624 -2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.228 -3.363 -2.479 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.614 -2.473 -3.071 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.642 -1.471 -4.076 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.839 -4.520 -3.946 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.935 -3.651 -5.171 1.00 0.00 H new ATOM 0 HE ARG A 9 12.463 -2.470 -5.279 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.238 -5.792 -5.504 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.545 -6.330 -6.563 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.155 -3.166 -6.647 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.202 -4.839 -7.212 1.00 0.00 H new ATOM 101 N LYS A 10 10.809 -4.455 -0.113 1.00 0.00 N ATOM 102 CA LYS A 10 10.107 -5.673 0.252 1.00 0.00 C ATOM 103 C LYS A 10 9.176 -5.387 1.432 1.00 0.00 C ATOM 104 O LYS A 10 8.097 -5.970 1.531 1.00 0.00 O ATOM 105 CB LYS A 10 11.101 -6.807 0.514 1.00 0.00 C ATOM 106 CG LYS A 10 10.445 -7.939 1.306 1.00 0.00 C ATOM 107 CD LYS A 10 9.174 -8.430 0.611 1.00 0.00 C ATOM 108 CE LYS A 10 8.011 -8.533 1.600 1.00 0.00 C ATOM 109 NZ LYS A 10 7.633 -9.949 1.810 1.00 0.00 N ATOM 0 H LYS A 10 11.795 -4.437 0.147 1.00 0.00 H new ATOM 0 HA LYS A 10 9.481 -6.013 -0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.477 -7.192 -0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 10 11.959 -6.423 1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.147 -8.766 1.414 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.203 -7.592 2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.910 -7.747 -0.196 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.357 -9.404 0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.293 -8.081 2.551 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.155 -7.974 1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.842 -10.001 2.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.344 -10.369 0.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.447 -10.473 2.190 1.00 0.00 H new ATOM 119 N MET A 11 9.627 -4.488 2.296 1.00 0.00 N ATOM 120 CA MET A 11 8.848 -4.118 3.464 1.00 0.00 C ATOM 121 C MET A 11 7.542 -3.431 3.057 1.00 0.00 C ATOM 122 O MET A 11 6.458 -3.886 3.422 1.00 0.00 O ATOM 123 CB MET A 11 9.667 -3.174 4.346 1.00 0.00 C ATOM 124 CG MET A 11 10.549 -3.959 5.318 1.00 0.00 C ATOM 125 SD MET A 11 10.254 -3.410 6.990 1.00 0.00 S ATOM 126 CE MET A 11 11.294 -1.958 7.027 1.00 0.00 C ATOM 0 H MET A 11 10.522 -4.006 2.209 1.00 0.00 H new ATOM 0 HA MET A 11 8.603 -5.025 4.016 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.289 -2.534 3.720 1.00 0.00 H new ATOM 0 HB3 MET A 11 8.997 -2.520 4.904 1.00 0.00 H new ATOM 0 HG2 MET A 11 10.338 -5.025 5.234 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.599 -3.821 5.061 1.00 0.00 H new ATOM 0 HE1 MET A 11 10.752 -1.134 7.492 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.195 -2.170 7.602 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.570 -1.682 6.009 1.00 0.00 H new ATOM 134 N VAL A 12 7.688 -2.349 2.307 1.00 0.00 N ATOM 135 CA VAL A 12 6.534 -1.596 1.847 1.00 0.00 C ATOM 136 C VAL A 12 5.653 -2.499 0.981 1.00 0.00 C ATOM 137 O VAL A 12 4.428 -2.397 1.017 1.00 0.00 O ATOM 138 CB VAL A 12 6.991 -0.331 1.118 1.00 0.00 C ATOM 139 CG1 VAL A 12 8.221 -0.611 0.253 1.00 0.00 C ATOM 140 CG2 VAL A 12 5.855 0.260 0.281 1.00 0.00 C ATOM 0 H VAL A 12 8.588 -1.976 2.006 1.00 0.00 H new ATOM 0 HA VAL A 12 5.931 -1.268 2.693 1.00 0.00 H new ATOM 0 HB VAL A 12 7.271 0.406 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.525 0.305 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.037 -0.965 0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.979 -1.373 -0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.206 1.158 -0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.530 -0.471 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.018 0.515 0.931 1.00 0.00 H new ATOM 150 N GLU A 13 6.312 -3.364 0.223 1.00 0.00 N ATOM 151 CA GLU A 13 5.604 -4.284 -0.650 1.00 0.00 C ATOM 152 C GLU A 13 4.429 -4.924 0.093 1.00 0.00 C ATOM 153 O GLU A 13 3.311 -4.957 -0.418 1.00 0.00 O ATOM 154 CB GLU A 13 6.550 -5.352 -1.204 1.00 0.00 C ATOM 155 CG GLU A 13 7.224 -4.873 -2.491 1.00 0.00 C ATOM 156 CD GLU A 13 6.397 -5.260 -3.719 1.00 0.00 C ATOM 157 OE1 GLU A 13 5.183 -4.962 -3.701 1.00 0.00 O ATOM 158 OE2 GLU A 13 6.998 -5.843 -4.647 1.00 0.00 O ATOM 0 H GLU A 13 7.328 -3.447 0.196 1.00 0.00 H new ATOM 0 HA GLU A 13 5.210 -3.721 -1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.309 -5.592 -0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.994 -6.269 -1.400 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.350 -3.791 -2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.221 -5.308 -2.567 1.00 0.00 H new ATOM 163 N GLU A 14 4.724 -5.417 1.287 1.00 0.00 N ATOM 164 CA GLU A 14 3.707 -6.055 2.105 1.00 0.00 C ATOM 165 C GLU A 14 2.738 -5.008 2.657 1.00 0.00 C ATOM 166 O GLU A 14 1.529 -5.232 2.690 1.00 0.00 O ATOM 167 CB GLU A 14 4.342 -6.865 3.237 1.00 0.00 C ATOM 168 CG GLU A 14 4.417 -6.042 4.524 1.00 0.00 C ATOM 169 CD GLU A 14 5.239 -6.768 5.592 1.00 0.00 C ATOM 170 OE1 GLU A 14 5.133 -8.013 5.639 1.00 0.00 O ATOM 171 OE2 GLU A 14 5.952 -6.062 6.337 1.00 0.00 O ATOM 0 H GLU A 14 5.653 -5.387 1.707 1.00 0.00 H new ATOM 0 HA GLU A 14 3.146 -6.748 1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.760 -7.769 3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.343 -7.182 2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.865 -5.071 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.411 -5.855 4.899 1.00 0.00 H new ATOM 176 N VAL A 15 3.304 -3.886 3.077 1.00 0.00 N ATOM 177 CA VAL A 15 2.504 -2.804 3.626 1.00 0.00 C ATOM 178 C VAL A 15 1.304 -2.549 2.713 1.00 0.00 C ATOM 179 O VAL A 15 0.162 -2.793 3.100 1.00 0.00 O ATOM 180 CB VAL A 15 3.375 -1.562 3.830 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.512 -0.310 3.998 1.00 0.00 C ATOM 182 CG2 VAL A 15 4.317 -1.744 5.022 1.00 0.00 C ATOM 0 H VAL A 15 4.307 -3.703 3.048 1.00 0.00 H new ATOM 0 HA VAL A 15 2.114 -3.076 4.607 1.00 0.00 H new ATOM 0 HB VAL A 15 3.986 -1.430 2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.155 0.558 4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.902 -0.166 3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.864 -0.429 4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.925 -0.848 5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.732 -1.913 5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.966 -2.601 4.845 1.00 0.00 H new ATOM 192 N PHE A 16 1.603 -2.060 1.518 1.00 0.00 N ATOM 193 CA PHE A 16 0.562 -1.769 0.547 1.00 0.00 C ATOM 194 C PHE A 16 -0.378 -2.964 0.375 1.00 0.00 C ATOM 195 O PHE A 16 -1.579 -2.790 0.177 1.00 0.00 O ATOM 196 CB PHE A 16 1.260 -1.489 -0.786 1.00 0.00 C ATOM 197 CG PHE A 16 1.837 -0.076 -0.901 1.00 0.00 C ATOM 198 CD1 PHE A 16 1.147 0.983 -0.401 1.00 0.00 C ATOM 199 CD2 PHE A 16 3.040 0.120 -1.504 1.00 0.00 C ATOM 200 CE1 PHE A 16 1.682 2.294 -0.507 1.00 0.00 C ATOM 201 CE2 PHE A 16 3.576 1.430 -1.612 1.00 0.00 C ATOM 202 CZ PHE A 16 2.885 2.490 -1.111 1.00 0.00 C ATOM 0 H PHE A 16 2.551 -1.858 1.200 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.032 -0.919 0.882 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.065 -2.211 -0.922 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.549 -1.647 -1.597 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.191 0.827 0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.588 -0.722 -1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.134 3.135 -0.108 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.531 1.585 -2.091 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.292 3.487 -1.193 1.00 0.00 H new ATOM 211 N ASP A 17 0.205 -4.151 0.459 1.00 0.00 N ATOM 212 CA ASP A 17 -0.565 -5.374 0.315 1.00 0.00 C ATOM 213 C ASP A 17 -1.518 -5.514 1.505 1.00 0.00 C ATOM 214 O ASP A 17 -2.732 -5.603 1.324 1.00 0.00 O ATOM 215 CB ASP A 17 0.347 -6.601 0.295 1.00 0.00 C ATOM 216 CG ASP A 17 0.727 -7.103 -1.100 1.00 0.00 C ATOM 217 OD1 ASP A 17 0.811 -6.246 -2.007 1.00 0.00 O ATOM 218 OD2 ASP A 17 0.924 -8.330 -1.228 1.00 0.00 O ATOM 0 H ASP A 17 1.202 -4.291 0.625 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.114 -5.318 -0.625 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.260 -6.365 0.841 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.146 -7.410 0.834 1.00 0.00 H new ATOM 222 N VAL A 18 -0.933 -5.528 2.693 1.00 0.00 N ATOM 223 CA VAL A 18 -1.715 -5.655 3.911 1.00 0.00 C ATOM 224 C VAL A 18 -2.852 -4.631 3.891 1.00 0.00 C ATOM 225 O VAL A 18 -4.024 -5.001 3.845 1.00 0.00 O ATOM 226 CB VAL A 18 -0.806 -5.515 5.134 1.00 0.00 C ATOM 227 CG1 VAL A 18 -1.608 -5.103 6.369 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.029 -6.809 5.390 1.00 0.00 C ATOM 0 H VAL A 18 0.074 -5.453 2.838 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.169 -6.644 3.972 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.083 -4.726 4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.938 -5.011 7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.094 -4.145 6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.364 -5.859 6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.609 -6.683 6.264 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.730 -7.625 5.567 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.587 -7.041 4.521 1.00 0.00 H new ATOM 238 N LEU A 19 -2.465 -3.364 3.927 1.00 0.00 N ATOM 239 CA LEU A 19 -3.438 -2.285 3.913 1.00 0.00 C ATOM 240 C LEU A 19 -4.561 -2.628 2.934 1.00 0.00 C ATOM 241 O LEU A 19 -5.725 -2.715 3.324 1.00 0.00 O ATOM 242 CB LEU A 19 -2.751 -0.950 3.618 1.00 0.00 C ATOM 243 CG LEU A 19 -1.592 -0.573 4.542 1.00 0.00 C ATOM 244 CD1 LEU A 19 -1.275 0.921 4.444 1.00 0.00 C ATOM 245 CD2 LEU A 19 -1.874 -1.005 5.982 1.00 0.00 C ATOM 0 H LEU A 19 -1.492 -3.061 3.966 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.896 -2.172 4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.380 -0.974 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.500 -0.160 3.667 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.705 -1.113 4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.447 1.162 5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.999 1.168 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.153 1.499 4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.034 -0.725 6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.779 -0.513 6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.011 -2.086 6.017 1.00 0.00 H new ATOM 256 N TYR A 20 -4.174 -2.815 1.680 1.00 0.00 N ATOM 257 CA TYR A 20 -5.135 -3.147 0.642 1.00 0.00 C ATOM 258 C TYR A 20 -6.049 -4.291 1.086 1.00 0.00 C ATOM 259 O TYR A 20 -7.272 -4.177 1.016 1.00 0.00 O ATOM 260 CB TYR A 20 -4.312 -3.605 -0.563 1.00 0.00 C ATOM 261 CG TYR A 20 -5.155 -4.066 -1.754 1.00 0.00 C ATOM 262 CD1 TYR A 20 -6.201 -3.285 -2.202 1.00 0.00 C ATOM 263 CD2 TYR A 20 -4.870 -5.262 -2.379 1.00 0.00 C ATOM 264 CE1 TYR A 20 -6.994 -3.719 -3.323 1.00 0.00 C ATOM 265 CE2 TYR A 20 -5.663 -5.696 -3.499 1.00 0.00 C ATOM 266 CZ TYR A 20 -6.687 -4.903 -3.916 1.00 0.00 C ATOM 267 OH TYR A 20 -7.436 -5.314 -4.974 1.00 0.00 O ATOM 0 H TYR A 20 -3.208 -2.743 1.360 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.767 -2.288 0.415 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.668 -2.786 -0.882 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.660 -4.422 -0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.425 -2.349 -1.712 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.052 -5.873 -2.028 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.815 -3.117 -3.685 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.450 -6.630 -3.997 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.101 -6.177 -5.297 1.00 0.00 H new ATOM 276 N SER A 21 -5.420 -5.369 1.532 1.00 0.00 N ATOM 277 CA SER A 21 -6.160 -6.533 1.986 1.00 0.00 C ATOM 278 C SER A 21 -7.083 -6.147 3.145 1.00 0.00 C ATOM 279 O SER A 21 -8.193 -6.662 3.257 1.00 0.00 O ATOM 280 CB SER A 21 -5.212 -7.656 2.414 1.00 0.00 C ATOM 281 OG SER A 21 -5.860 -8.612 3.249 1.00 0.00 O ATOM 0 H SER A 21 -4.406 -5.460 1.588 1.00 0.00 H new ATOM 0 HA SER A 21 -6.763 -6.900 1.156 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.818 -8.155 1.529 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.361 -7.229 2.944 1.00 0.00 H new ATOM 0 HG SER A 21 -5.774 -9.504 2.852 1.00 0.00 H new ATOM 286 N GLU A 22 -6.587 -5.244 3.978 1.00 0.00 N ATOM 287 CA GLU A 22 -7.352 -4.782 5.123 1.00 0.00 C ATOM 288 C GLU A 22 -8.593 -4.017 4.660 1.00 0.00 C ATOM 289 O GLU A 22 -9.681 -4.206 5.200 1.00 0.00 O ATOM 290 CB GLU A 22 -6.490 -3.920 6.047 1.00 0.00 C ATOM 291 CG GLU A 22 -5.467 -4.775 6.800 1.00 0.00 C ATOM 292 CD GLU A 22 -6.099 -5.431 8.028 1.00 0.00 C ATOM 293 OE1 GLU A 22 -6.823 -4.709 8.749 1.00 0.00 O ATOM 294 OE2 GLU A 22 -5.845 -6.639 8.221 1.00 0.00 O ATOM 0 H GLU A 22 -5.664 -4.820 3.882 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.678 -5.653 5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.973 -3.159 5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.127 -3.396 6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.071 -5.543 6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.625 -4.155 7.107 1.00 0.00 H new ATOM 299 N ALA A 23 -8.388 -3.168 3.663 1.00 0.00 N ATOM 300 CA ALA A 23 -9.477 -2.374 3.120 1.00 0.00 C ATOM 301 C ALA A 23 -10.406 -3.277 2.307 1.00 0.00 C ATOM 302 O ALA A 23 -11.603 -3.013 2.207 1.00 0.00 O ATOM 303 CB ALA A 23 -8.904 -1.225 2.287 1.00 0.00 C ATOM 0 H ALA A 23 -7.484 -3.013 3.217 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.068 -1.933 3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.720 -0.629 1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.276 -0.596 2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.307 -1.630 1.470 1.00 0.00 H new ATOM 309 N LEU A 24 -9.819 -4.326 1.748 1.00 0.00 N ATOM 310 CA LEU A 24 -10.580 -5.270 0.948 1.00 0.00 C ATOM 311 C LEU A 24 -11.422 -6.153 1.871 1.00 0.00 C ATOM 312 O LEU A 24 -12.434 -6.711 1.448 1.00 0.00 O ATOM 313 CB LEU A 24 -9.650 -6.058 0.022 1.00 0.00 C ATOM 314 CG LEU A 24 -9.735 -5.713 -1.466 1.00 0.00 C ATOM 315 CD1 LEU A 24 -8.647 -6.440 -2.259 1.00 0.00 C ATOM 316 CD2 LEU A 24 -11.133 -5.997 -2.017 1.00 0.00 C ATOM 0 H LEU A 24 -8.826 -4.542 1.834 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.273 -4.743 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.623 -5.902 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.865 -7.120 0.141 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.557 -4.644 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.729 -6.178 -3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.666 -6.144 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.770 -7.517 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.165 -5.743 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.366 -7.054 -1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.866 -5.397 -1.478 1.00 0.00 H new ATOM 327 N GLY A 25 -10.973 -6.252 3.114 1.00 0.00 N ATOM 328 CA GLY A 25 -11.673 -7.057 4.101 1.00 0.00 C ATOM 329 C GLY A 25 -11.589 -8.545 3.753 1.00 0.00 C ATOM 330 O GLY A 25 -12.540 -9.292 3.974 1.00 0.00 O ATOM 0 H GLY A 25 -10.133 -5.788 3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.242 -6.885 5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.718 -6.750 4.152 1.00 0.00 H new ATOM 334 N ARG A 26 -10.442 -8.930 3.213 1.00 0.00 N ATOM 335 CA ARG A 26 -10.221 -10.315 2.834 1.00 0.00 C ATOM 336 C ARG A 26 -9.636 -11.102 4.009 1.00 0.00 C ATOM 337 O ARG A 26 -9.398 -10.542 5.078 1.00 0.00 O ATOM 338 CB ARG A 26 -9.269 -10.413 1.639 1.00 0.00 C ATOM 339 CG ARG A 26 -9.958 -9.954 0.351 1.00 0.00 C ATOM 340 CD ARG A 26 -10.285 -11.146 -0.551 1.00 0.00 C ATOM 341 NE ARG A 26 -11.620 -11.687 -0.210 1.00 0.00 N ATOM 342 CZ ARG A 26 -12.152 -12.782 -0.770 1.00 0.00 C ATOM 343 NH1 ARG A 26 -11.467 -13.459 -1.701 1.00 0.00 N ATOM 344 NH2 ARG A 26 -13.370 -13.200 -0.399 1.00 0.00 N ATOM 0 H ARG A 26 -9.656 -8.307 3.029 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.185 -10.739 2.553 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.386 -9.801 1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.926 -11.441 1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.874 -9.417 0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.312 -9.256 -0.182 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.264 -10.838 -1.596 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.528 -11.921 -0.432 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.169 -11.196 0.495 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.540 -13.141 -1.984 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.872 -14.292 -2.127 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.892 -12.685 0.310 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.775 -14.033 -0.825 1.00 0.00 H new ATOM 355 N ALA A 27 -9.421 -12.387 3.770 1.00 0.00 N ATOM 356 CA ALA A 27 -8.868 -13.255 4.795 1.00 0.00 C ATOM 357 C ALA A 27 -7.353 -13.354 4.611 1.00 0.00 C ATOM 358 O ALA A 27 -6.597 -13.205 5.571 1.00 0.00 O ATOM 359 CB ALA A 27 -9.553 -14.622 4.731 1.00 0.00 C ATOM 0 H ALA A 27 -9.620 -12.848 2.882 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.054 -12.843 5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.138 -15.273 5.500 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.623 -14.501 4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.386 -15.067 3.750 1.00 0.00 H new ATOM 365 N SER A 28 -6.953 -13.604 3.373 1.00 0.00 N ATOM 366 CA SER A 28 -5.541 -13.724 3.052 1.00 0.00 C ATOM 367 C SER A 28 -5.010 -12.391 2.521 1.00 0.00 C ATOM 368 O SER A 28 -5.787 -11.526 2.116 1.00 0.00 O ATOM 369 CB SER A 28 -5.303 -14.836 2.028 1.00 0.00 C ATOM 370 OG SER A 28 -6.017 -16.024 2.354 1.00 0.00 O ATOM 0 H SER A 28 -7.582 -13.727 2.580 1.00 0.00 H new ATOM 0 HA SER A 28 -5.003 -13.984 3.964 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.607 -14.490 1.040 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.237 -15.057 1.974 1.00 0.00 H new ATOM 0 HG SER A 28 -5.840 -16.709 1.676 1.00 0.00 H new ATOM 375 N VAL A 29 -3.692 -12.265 2.541 1.00 0.00 N ATOM 376 CA VAL A 29 -3.048 -11.052 2.066 1.00 0.00 C ATOM 377 C VAL A 29 -2.869 -11.134 0.549 1.00 0.00 C ATOM 378 O VAL A 29 -2.128 -11.982 0.052 1.00 0.00 O ATOM 379 CB VAL A 29 -1.730 -10.833 2.812 1.00 0.00 C ATOM 380 CG1 VAL A 29 -0.951 -9.659 2.216 1.00 0.00 C ATOM 381 CG2 VAL A 29 -1.975 -10.626 4.308 1.00 0.00 C ATOM 0 H VAL A 29 -3.052 -12.983 2.879 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.672 -10.183 2.273 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.124 -11.731 2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.019 -9.525 2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.730 -9.864 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.549 -8.751 2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.022 -10.473 4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.609 -9.752 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.468 -11.506 4.721 1.00 0.00 H new ATOM 391 N VAL A 30 -3.561 -10.242 -0.146 1.00 0.00 N ATOM 392 CA VAL A 30 -3.487 -10.203 -1.596 1.00 0.00 C ATOM 393 C VAL A 30 -2.522 -9.097 -2.024 1.00 0.00 C ATOM 394 O VAL A 30 -2.295 -8.143 -1.281 1.00 0.00 O ATOM 395 CB VAL A 30 -4.889 -10.035 -2.187 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.629 -11.374 -2.230 1.00 0.00 C ATOM 397 CG2 VAL A 30 -5.690 -8.990 -1.407 1.00 0.00 C ATOM 0 H VAL A 30 -4.175 -9.541 0.269 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.095 -11.143 -1.984 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.782 -9.679 -3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.622 -11.227 -2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.071 -12.078 -2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.721 -11.771 -1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.682 -8.889 -1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.784 -9.305 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.175 -8.030 -1.450 1.00 0.00 H new ATOM 407 N PRO A 31 -1.963 -9.264 -3.252 1.00 0.00 N ATOM 408 CA PRO A 31 -1.027 -8.290 -3.789 1.00 0.00 C ATOM 409 C PRO A 31 -1.755 -7.027 -4.253 1.00 0.00 C ATOM 410 O PRO A 31 -2.984 -6.988 -4.277 1.00 0.00 O ATOM 411 CB PRO A 31 -0.312 -9.012 -4.918 1.00 0.00 C ATOM 412 CG PRO A 31 -1.190 -10.200 -5.277 1.00 0.00 C ATOM 413 CD PRO A 31 -2.208 -10.381 -4.161 1.00 0.00 C ATOM 0 HA PRO A 31 -0.313 -7.938 -3.044 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.175 -8.355 -5.777 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.680 -9.340 -4.606 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.693 -10.029 -6.229 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.586 -11.100 -5.393 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.227 -10.361 -4.547 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.077 -11.338 -3.657 1.00 0.00 H new ATOM 418 N LEU A 32 -0.966 -6.025 -4.612 1.00 0.00 N ATOM 419 CA LEU A 32 -1.520 -4.765 -5.074 1.00 0.00 C ATOM 420 C LEU A 32 -1.133 -4.549 -6.539 1.00 0.00 C ATOM 421 O LEU A 32 -0.013 -4.133 -6.834 1.00 0.00 O ATOM 422 CB LEU A 32 -1.094 -3.621 -4.151 1.00 0.00 C ATOM 423 CG LEU A 32 -1.349 -2.206 -4.674 1.00 0.00 C ATOM 424 CD1 LEU A 32 -2.705 -2.118 -5.377 1.00 0.00 C ATOM 425 CD2 LEU A 32 -1.217 -1.175 -3.552 1.00 0.00 C ATOM 0 H LEU A 32 0.053 -6.061 -4.592 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.609 -4.790 -5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.615 -3.735 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.029 -3.724 -3.945 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.586 -1.973 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.862 -1.102 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.724 -2.810 -6.219 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.497 -2.379 -4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.403 -0.178 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.943 -1.394 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.211 -1.217 -3.136 1.00 0.00 H new ATOM 436 N PRO A 33 -2.105 -4.849 -7.441 1.00 0.00 N ATOM 437 CA PRO A 33 -1.877 -4.692 -8.867 1.00 0.00 C ATOM 438 C PRO A 33 -1.911 -3.217 -9.269 1.00 0.00 C ATOM 439 O PRO A 33 -2.867 -2.762 -9.898 1.00 0.00 O ATOM 440 CB PRO A 33 -2.969 -5.514 -9.533 1.00 0.00 C ATOM 441 CG PRO A 33 -4.040 -5.721 -8.474 1.00 0.00 C ATOM 442 CD PRO A 33 -3.443 -5.343 -7.128 1.00 0.00 C ATOM 0 HA PRO A 33 -0.891 -5.039 -9.176 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.374 -4.995 -10.402 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.579 -6.469 -9.886 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.914 -5.107 -8.690 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.374 -6.759 -8.466 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.041 -4.579 -6.630 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.401 -6.202 -6.458 1.00 0.00 H new ATOM 447 N TYR A 34 -0.858 -2.508 -8.890 1.00 0.00 N ATOM 448 CA TYR A 34 -0.756 -1.092 -9.203 1.00 0.00 C ATOM 449 C TYR A 34 -1.090 -0.831 -10.673 1.00 0.00 C ATOM 450 O TYR A 34 -1.975 -0.033 -10.979 1.00 0.00 O ATOM 451 CB TYR A 34 0.703 -0.710 -8.949 1.00 0.00 C ATOM 452 CG TYR A 34 1.163 -0.933 -7.506 1.00 0.00 C ATOM 453 CD1 TYR A 34 0.995 0.062 -6.565 1.00 0.00 C ATOM 454 CD2 TYR A 34 1.747 -2.132 -7.147 1.00 0.00 C ATOM 455 CE1 TYR A 34 1.428 -0.149 -5.208 1.00 0.00 C ATOM 456 CE2 TYR A 34 2.180 -2.343 -5.790 1.00 0.00 C ATOM 457 CZ TYR A 34 1.998 -1.341 -4.887 1.00 0.00 C ATOM 458 OH TYR A 34 2.408 -1.540 -3.606 1.00 0.00 O ATOM 0 H TYR A 34 -0.068 -2.887 -8.369 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.452 -0.513 -8.597 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.341 -1.289 -9.616 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.843 0.340 -9.206 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.539 0.999 -6.846 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.879 -2.911 -7.884 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.303 0.622 -4.462 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.639 -3.275 -5.495 1.00 0.00 H new ATOM 0 HH TYR A 34 2.189 -0.752 -3.066 1.00 0.00 H new ATOM 467 N GLU A 35 -0.365 -1.518 -11.544 1.00 0.00 N ATOM 468 CA GLU A 35 -0.574 -1.369 -12.974 1.00 0.00 C ATOM 469 C GLU A 35 -2.065 -1.207 -13.278 1.00 0.00 C ATOM 470 O GLU A 35 -2.436 -0.528 -14.235 1.00 0.00 O ATOM 471 CB GLU A 35 0.017 -2.555 -13.740 1.00 0.00 C ATOM 472 CG GLU A 35 -0.964 -3.729 -13.773 1.00 0.00 C ATOM 473 CD GLU A 35 -0.378 -4.910 -14.550 1.00 0.00 C ATOM 474 OE1 GLU A 35 0.373 -5.686 -13.922 1.00 0.00 O ATOM 475 OE2 GLU A 35 -0.695 -5.009 -15.755 1.00 0.00 O ATOM 0 H GLU A 35 0.368 -2.179 -11.287 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.056 -0.469 -13.306 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.260 -2.251 -14.758 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.949 -2.868 -13.270 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.200 -4.040 -12.755 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.900 -3.413 -14.235 1.00 0.00 H new ATOM 480 N ARG A 36 -2.878 -1.842 -12.447 1.00 0.00 N ATOM 481 CA ARG A 36 -4.320 -1.777 -12.616 1.00 0.00 C ATOM 482 C ARG A 36 -4.899 -0.624 -11.792 1.00 0.00 C ATOM 483 O ARG A 36 -5.391 0.356 -12.349 1.00 0.00 O ATOM 484 CB ARG A 36 -4.985 -3.085 -12.187 1.00 0.00 C ATOM 485 CG ARG A 36 -5.367 -3.930 -13.404 1.00 0.00 C ATOM 486 CD ARG A 36 -6.779 -3.590 -13.886 1.00 0.00 C ATOM 487 NE ARG A 36 -7.351 -4.736 -14.628 1.00 0.00 N ATOM 488 CZ ARG A 36 -6.920 -5.143 -15.830 1.00 0.00 C ATOM 489 NH1 ARG A 36 -5.911 -4.499 -16.433 1.00 0.00 N ATOM 490 NH2 ARG A 36 -7.498 -6.192 -16.429 1.00 0.00 N ATOM 0 H ARG A 36 -2.566 -2.404 -11.655 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.523 -1.611 -13.674 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.307 -3.649 -11.546 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.875 -2.868 -11.596 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.653 -3.758 -14.209 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.311 -4.988 -13.149 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.413 -3.345 -13.034 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.751 -2.709 -14.527 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.121 -5.248 -14.198 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.471 -3.699 -15.977 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.583 -4.808 -17.348 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.266 -6.681 -15.970 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.170 -6.502 -17.344 1.00 0.00 H new ATOM 501 N LEU A 37 -4.821 -0.782 -10.479 1.00 0.00 N ATOM 502 CA LEU A 37 -5.330 0.233 -9.572 1.00 0.00 C ATOM 503 C LEU A 37 -4.941 1.618 -10.091 1.00 0.00 C ATOM 504 O LEU A 37 -5.705 2.573 -9.960 1.00 0.00 O ATOM 505 CB LEU A 37 -4.862 -0.042 -8.142 1.00 0.00 C ATOM 506 CG LEU A 37 -5.139 -1.448 -7.604 1.00 0.00 C ATOM 507 CD1 LEU A 37 -5.329 -1.425 -6.086 1.00 0.00 C ATOM 508 CD2 LEU A 37 -6.329 -2.086 -8.322 1.00 0.00 C ATOM 0 H LEU A 37 -4.413 -1.597 -10.021 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.419 0.200 -9.538 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.789 0.140 -8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.340 0.680 -7.479 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.269 -2.071 -7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.524 -2.436 -5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.426 -1.041 -5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.172 -0.782 -5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.504 -3.084 -7.920 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.217 -1.473 -8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.115 -2.156 -9.389 1.00 0.00 H new ATOM 519 N LEU A 38 -3.751 1.684 -10.671 1.00 0.00 N ATOM 520 CA LEU A 38 -3.249 2.936 -11.211 1.00 0.00 C ATOM 521 C LEU A 38 -4.188 3.421 -12.319 1.00 0.00 C ATOM 522 O LEU A 38 -4.626 4.570 -12.307 1.00 0.00 O ATOM 523 CB LEU A 38 -1.795 2.782 -11.661 1.00 0.00 C ATOM 524 CG LEU A 38 -0.777 2.504 -10.553 1.00 0.00 C ATOM 525 CD1 LEU A 38 0.545 2.003 -11.137 1.00 0.00 C ATOM 526 CD2 LEU A 38 -0.581 3.737 -9.668 1.00 0.00 C ATOM 0 H LEU A 38 -3.120 0.890 -10.779 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.239 3.706 -10.440 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.744 1.970 -12.386 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.498 3.693 -12.180 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.170 1.710 -9.918 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.251 1.813 -10.329 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.372 1.081 -11.692 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.956 2.758 -11.808 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.147 3.513 -8.888 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.219 4.567 -10.275 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.531 4.010 -9.209 1.00 0.00 H new ATOM 537 N ARG A 39 -4.468 2.519 -13.249 1.00 0.00 N ATOM 538 CA ARG A 39 -5.347 2.840 -14.361 1.00 0.00 C ATOM 539 C ARG A 39 -6.554 3.643 -13.870 1.00 0.00 C ATOM 540 O ARG A 39 -6.880 4.686 -14.434 1.00 0.00 O ATOM 541 CB ARG A 39 -5.837 1.571 -15.060 1.00 0.00 C ATOM 542 CG ARG A 39 -6.934 1.894 -16.077 1.00 0.00 C ATOM 543 CD ARG A 39 -6.413 2.836 -17.163 1.00 0.00 C ATOM 544 NE ARG A 39 -5.514 2.102 -18.082 1.00 0.00 N ATOM 545 CZ ARG A 39 -5.123 2.564 -19.278 1.00 0.00 C ATOM 546 NH1 ARG A 39 -5.550 3.759 -19.708 1.00 0.00 N ATOM 547 NH2 ARG A 39 -4.306 1.829 -20.044 1.00 0.00 N ATOM 0 H ARG A 39 -4.102 1.567 -13.255 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.776 3.436 -15.073 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.002 1.083 -15.563 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.218 0.868 -14.320 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.295 0.972 -16.533 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.782 2.352 -15.569 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.249 3.260 -17.720 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.879 3.670 -16.707 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.171 1.188 -17.787 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.173 4.318 -19.125 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.252 4.110 -20.618 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.982 0.919 -19.717 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.008 2.180 -20.954 1.00 0.00 H new ATOM 558 N GLU A 40 -7.181 3.127 -12.824 1.00 0.00 N ATOM 559 CA GLU A 40 -8.345 3.782 -12.252 1.00 0.00 C ATOM 560 C GLU A 40 -8.073 4.171 -10.798 1.00 0.00 C ATOM 561 O GLU A 40 -8.078 3.319 -9.911 1.00 0.00 O ATOM 562 CB GLU A 40 -9.585 2.890 -12.357 1.00 0.00 C ATOM 563 CG GLU A 40 -9.194 1.443 -12.666 1.00 0.00 C ATOM 564 CD GLU A 40 -10.436 0.567 -12.842 1.00 0.00 C ATOM 565 OE1 GLU A 40 -11.423 1.086 -13.406 1.00 0.00 O ATOM 566 OE2 GLU A 40 -10.370 -0.603 -12.405 1.00 0.00 O ATOM 0 H GLU A 40 -6.905 2.263 -12.357 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.542 4.690 -12.821 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.145 2.928 -11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.244 3.267 -13.139 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.590 1.411 -13.573 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.577 1.048 -11.858 1.00 0.00 H new ATOM 571 N PRO A 41 -7.834 5.494 -10.592 1.00 0.00 N ATOM 572 CA PRO A 41 -7.560 6.007 -9.260 1.00 0.00 C ATOM 573 C PRO A 41 -8.839 6.073 -8.423 1.00 0.00 C ATOM 574 O PRO A 41 -8.779 6.127 -7.196 1.00 0.00 O ATOM 575 CB PRO A 41 -6.929 7.371 -9.487 1.00 0.00 C ATOM 576 CG PRO A 41 -7.295 7.771 -10.907 1.00 0.00 C ATOM 577 CD PRO A 41 -7.820 6.533 -11.617 1.00 0.00 C ATOM 0 HA PRO A 41 -6.891 5.362 -8.690 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.304 8.099 -8.768 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.847 7.326 -9.361 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.050 8.557 -10.900 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.425 8.170 -11.428 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.818 6.702 -12.022 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.179 6.255 -12.454 1.00 0.00 H new ATOM 582 N GLY A 42 -9.965 6.063 -9.121 1.00 0.00 N ATOM 583 CA GLY A 42 -11.257 6.120 -8.457 1.00 0.00 C ATOM 584 C GLY A 42 -11.628 4.761 -7.862 1.00 0.00 C ATOM 585 O GLY A 42 -12.402 4.687 -6.909 1.00 0.00 O ATOM 0 H GLY A 42 -10.010 6.016 -10.139 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.231 6.872 -7.668 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.022 6.431 -9.168 1.00 0.00 H new ATOM 589 N LEU A 43 -11.058 3.718 -8.448 1.00 0.00 N ATOM 590 CA LEU A 43 -11.319 2.364 -7.988 1.00 0.00 C ATOM 591 C LEU A 43 -10.731 2.185 -6.586 1.00 0.00 C ATOM 592 O LEU A 43 -11.361 1.584 -5.718 1.00 0.00 O ATOM 593 CB LEU A 43 -10.806 1.344 -9.006 1.00 0.00 C ATOM 594 CG LEU A 43 -11.374 -0.071 -8.882 1.00 0.00 C ATOM 595 CD1 LEU A 43 -12.771 -0.157 -9.500 1.00 0.00 C ATOM 596 CD2 LEU A 43 -10.416 -1.102 -9.483 1.00 0.00 C ATOM 0 H LEU A 43 -10.416 3.783 -9.238 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.392 2.188 -7.909 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.027 1.716 -10.006 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.721 1.288 -8.919 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.476 -0.306 -7.823 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.152 -1.173 -9.399 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.439 0.534 -8.986 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.718 0.107 -10.556 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.844 -2.099 -9.381 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.259 -0.880 -10.539 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.462 -1.062 -8.958 1.00 0.00 H new ATOM 607 N LEU A 44 -9.532 2.718 -6.411 1.00 0.00 N ATOM 608 CA LEU A 44 -8.852 2.625 -5.130 1.00 0.00 C ATOM 609 C LEU A 44 -7.855 3.778 -5.000 1.00 0.00 C ATOM 610 O LEU A 44 -6.843 3.810 -5.699 1.00 0.00 O ATOM 611 CB LEU A 44 -8.219 1.243 -4.959 1.00 0.00 C ATOM 612 CG LEU A 44 -7.218 1.100 -3.810 1.00 0.00 C ATOM 613 CD1 LEU A 44 -7.748 1.760 -2.536 1.00 0.00 C ATOM 614 CD2 LEU A 44 -6.847 -0.367 -3.585 1.00 0.00 C ATOM 0 H LEU A 44 -9.013 3.216 -7.134 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.566 2.727 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.017 0.516 -4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.715 0.979 -5.889 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.303 1.624 -4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.018 1.644 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.919 2.821 -2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.685 1.286 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.135 -0.440 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.744 -0.936 -3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.398 -0.772 -4.492 1.00 0.00 H new ATOM 625 N ALA A 45 -8.175 4.697 -4.101 1.00 0.00 N ATOM 626 CA ALA A 45 -7.319 5.849 -3.871 1.00 0.00 C ATOM 627 C ALA A 45 -6.437 5.588 -2.649 1.00 0.00 C ATOM 628 O ALA A 45 -6.907 5.063 -1.640 1.00 0.00 O ATOM 629 CB ALA A 45 -8.183 7.102 -3.710 1.00 0.00 C ATOM 0 H ALA A 45 -9.015 4.668 -3.523 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.660 6.014 -4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.542 7.966 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.768 7.259 -4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.855 6.974 -2.862 1.00 0.00 H new ATOM 635 N VAL A 46 -5.174 5.966 -2.779 1.00 0.00 N ATOM 636 CA VAL A 46 -4.221 5.779 -1.698 1.00 0.00 C ATOM 637 C VAL A 46 -4.035 7.103 -0.954 1.00 0.00 C ATOM 638 O VAL A 46 -3.530 8.071 -1.520 1.00 0.00 O ATOM 639 CB VAL A 46 -2.911 5.212 -2.248 1.00 0.00 C ATOM 640 CG1 VAL A 46 -1.944 4.867 -1.112 1.00 0.00 C ATOM 641 CG2 VAL A 46 -3.170 3.994 -3.137 1.00 0.00 C ATOM 0 H VAL A 46 -4.788 6.401 -3.617 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.597 5.052 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.445 5.982 -2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.021 4.466 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.722 5.766 -0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.400 4.123 -0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.222 3.611 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.669 3.219 -2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.804 4.283 -3.975 1.00 0.00 H new ATOM 651 N GLN A 47 -4.453 7.102 0.303 1.00 0.00 N ATOM 652 CA GLN A 47 -4.338 8.291 1.130 1.00 0.00 C ATOM 653 C GLN A 47 -3.344 8.052 2.268 1.00 0.00 C ATOM 654 O GLN A 47 -2.986 6.912 2.555 1.00 0.00 O ATOM 655 CB GLN A 47 -5.704 8.714 1.676 1.00 0.00 C ATOM 656 CG GLN A 47 -6.480 9.528 0.638 1.00 0.00 C ATOM 657 CD GLN A 47 -6.115 11.012 0.721 1.00 0.00 C ATOM 658 OE1 GLN A 47 -5.260 11.508 0.007 1.00 0.00 O ATOM 659 NE2 GLN A 47 -6.809 11.690 1.630 1.00 0.00 N ATOM 0 H GLN A 47 -4.872 6.297 0.769 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.963 9.105 0.510 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.278 7.830 1.954 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.571 9.305 2.582 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.262 9.152 -0.362 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.551 9.404 0.799 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.511 11.213 2.195 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.639 12.687 1.762 1.00 0.00 H new ATOM 666 N GLY A 48 -2.926 9.148 2.886 1.00 0.00 N ATOM 667 CA GLY A 48 -1.980 9.072 3.986 1.00 0.00 C ATOM 668 C GLY A 48 -0.594 8.654 3.490 1.00 0.00 C ATOM 669 O GLY A 48 0.168 8.023 4.222 1.00 0.00 O ATOM 0 H GLY A 48 -3.225 10.093 2.645 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.916 10.040 4.482 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.336 8.357 4.727 1.00 0.00 H new ATOM 673 N LEU A 49 -0.309 9.022 2.249 1.00 0.00 N ATOM 674 CA LEU A 49 0.971 8.694 1.646 1.00 0.00 C ATOM 675 C LEU A 49 2.050 9.616 2.218 1.00 0.00 C ATOM 676 O LEU A 49 1.740 10.632 2.837 1.00 0.00 O ATOM 677 CB LEU A 49 0.871 8.737 0.120 1.00 0.00 C ATOM 678 CG LEU A 49 0.436 7.438 -0.560 1.00 0.00 C ATOM 679 CD1 LEU A 49 -0.237 7.722 -1.904 1.00 0.00 C ATOM 680 CD2 LEU A 49 1.614 6.471 -0.703 1.00 0.00 C ATOM 0 H LEU A 49 -0.943 9.544 1.645 1.00 0.00 H new ATOM 0 HA LEU A 49 1.259 7.673 1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.167 9.522 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.843 9.025 -0.280 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.304 6.952 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.537 6.782 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.117 8.345 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.463 8.242 -2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.277 5.556 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.395 6.935 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.011 6.232 0.284 1.00 0.00 H new ATOM 691 N PRO A 50 3.330 9.216 1.987 1.00 0.00 N ATOM 692 CA PRO A 50 4.457 9.994 2.471 1.00 0.00 C ATOM 693 C PRO A 50 4.659 11.253 1.624 1.00 0.00 C ATOM 694 O PRO A 50 5.200 11.183 0.522 1.00 0.00 O ATOM 695 CB PRO A 50 5.643 9.045 2.417 1.00 0.00 C ATOM 696 CG PRO A 50 5.237 7.925 1.474 1.00 0.00 C ATOM 697 CD PRO A 50 3.736 8.017 1.258 1.00 0.00 C ATOM 0 HA PRO A 50 4.307 10.365 3.485 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.536 9.556 2.056 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.877 8.656 3.408 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.765 8.015 0.525 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.503 6.956 1.896 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.492 8.096 0.199 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.226 7.131 1.637 1.00 0.00 H new ATOM 702 N GLU A 51 4.215 12.374 2.173 1.00 0.00 N ATOM 703 CA GLU A 51 4.340 13.646 1.482 1.00 0.00 C ATOM 704 C GLU A 51 5.602 13.658 0.618 1.00 0.00 C ATOM 705 O GLU A 51 6.613 13.060 0.982 1.00 0.00 O ATOM 706 CB GLU A 51 4.342 14.810 2.473 1.00 0.00 C ATOM 707 CG GLU A 51 2.936 15.392 2.640 1.00 0.00 C ATOM 708 CD GLU A 51 2.673 16.492 1.609 1.00 0.00 C ATOM 709 OE1 GLU A 51 3.654 17.173 1.241 1.00 0.00 O ATOM 710 OE2 GLU A 51 1.496 16.627 1.212 1.00 0.00 O ATOM 0 H GLU A 51 3.768 12.428 3.088 1.00 0.00 H new ATOM 0 HA GLU A 51 3.476 13.770 0.830 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.715 14.469 3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.022 15.587 2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.195 14.600 2.530 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.823 15.796 3.646 1.00 0.00 H new ATOM 715 N GLY A 52 5.504 14.347 -0.510 1.00 0.00 N ATOM 716 CA GLY A 52 6.625 14.445 -1.427 1.00 0.00 C ATOM 717 C GLY A 52 6.854 13.120 -2.158 1.00 0.00 C ATOM 718 O GLY A 52 7.992 12.678 -2.307 1.00 0.00 O ATOM 0 H GLY A 52 4.664 14.843 -0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.438 15.237 -2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.525 14.722 -0.878 1.00 0.00 H new ATOM 722 N LEU A 53 5.754 12.524 -2.593 1.00 0.00 N ATOM 723 CA LEU A 53 5.821 11.258 -3.304 1.00 0.00 C ATOM 724 C LEU A 53 4.577 11.106 -4.184 1.00 0.00 C ATOM 725 O LEU A 53 3.814 12.056 -4.354 1.00 0.00 O ATOM 726 CB LEU A 53 6.025 10.102 -2.323 1.00 0.00 C ATOM 727 CG LEU A 53 7.475 9.683 -2.072 1.00 0.00 C ATOM 728 CD1 LEU A 53 7.570 8.719 -0.888 1.00 0.00 C ATOM 729 CD2 LEU A 53 8.104 9.101 -3.339 1.00 0.00 C ATOM 0 H LEU A 53 4.812 12.894 -2.467 1.00 0.00 H new ATOM 0 HA LEU A 53 6.686 11.239 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.577 10.378 -1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.476 9.236 -2.694 1.00 0.00 H new ATOM 0 HG LEU A 53 8.048 10.572 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.611 8.437 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.187 9.206 0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.980 7.827 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.134 8.811 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.538 8.226 -3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.089 9.851 -4.130 1.00 0.00 H new ATOM 740 N ALA A 54 4.413 9.905 -4.718 1.00 0.00 N ATOM 741 CA ALA A 54 3.276 9.617 -5.575 1.00 0.00 C ATOM 742 C ALA A 54 2.957 8.122 -5.505 1.00 0.00 C ATOM 743 O ALA A 54 3.862 7.292 -5.447 1.00 0.00 O ATOM 744 CB ALA A 54 3.580 10.082 -7.001 1.00 0.00 C ATOM 0 H ALA A 54 5.048 9.120 -4.574 1.00 0.00 H new ATOM 0 HA ALA A 54 2.393 10.159 -5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.727 9.866 -7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.771 11.155 -7.001 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.459 9.557 -7.375 1.00 0.00 H new ATOM 750 N PHE A 55 1.665 7.824 -5.515 1.00 0.00 N ATOM 751 CA PHE A 55 1.215 6.445 -5.453 1.00 0.00 C ATOM 752 C PHE A 55 1.721 5.649 -6.658 1.00 0.00 C ATOM 753 O PHE A 55 1.280 5.873 -7.784 1.00 0.00 O ATOM 754 CB PHE A 55 -0.315 6.472 -5.480 1.00 0.00 C ATOM 755 CG PHE A 55 -0.958 5.102 -5.706 1.00 0.00 C ATOM 756 CD1 PHE A 55 -0.565 4.034 -4.960 1.00 0.00 C ATOM 757 CD2 PHE A 55 -1.921 4.951 -6.654 1.00 0.00 C ATOM 758 CE1 PHE A 55 -1.161 2.764 -5.170 1.00 0.00 C ATOM 759 CE2 PHE A 55 -2.517 3.680 -6.864 1.00 0.00 C ATOM 760 CZ PHE A 55 -2.125 2.613 -6.118 1.00 0.00 C ATOM 0 H PHE A 55 0.916 8.515 -5.565 1.00 0.00 H new ATOM 0 HA PHE A 55 1.597 5.969 -4.550 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.678 6.881 -4.537 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.642 7.150 -6.268 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.201 4.153 -4.208 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.232 5.798 -7.247 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.849 1.917 -4.577 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.282 3.560 -7.617 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.579 1.646 -6.278 1.00 0.00 H new ATOM 769 N ARG A 56 2.639 4.735 -6.380 1.00 0.00 N ATOM 770 CA ARG A 56 3.209 3.904 -7.426 1.00 0.00 C ATOM 771 C ARG A 56 3.923 2.697 -6.816 1.00 0.00 C ATOM 772 O ARG A 56 4.172 2.662 -5.612 1.00 0.00 O ATOM 773 CB ARG A 56 4.201 4.697 -8.280 1.00 0.00 C ATOM 774 CG ARG A 56 4.828 5.837 -7.474 1.00 0.00 C ATOM 775 CD ARG A 56 6.227 6.172 -7.996 1.00 0.00 C ATOM 776 NE ARG A 56 6.140 7.218 -9.040 1.00 0.00 N ATOM 777 CZ ARG A 56 5.947 6.967 -10.342 1.00 0.00 C ATOM 778 NH1 ARG A 56 5.818 5.702 -10.768 1.00 0.00 N ATOM 779 NH2 ARG A 56 5.881 7.979 -11.218 1.00 0.00 N ATOM 0 H ARG A 56 3.002 4.552 -5.445 1.00 0.00 H new ATOM 0 HA ARG A 56 2.391 3.563 -8.061 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.983 4.033 -8.647 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.691 5.102 -9.154 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.193 6.721 -7.532 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.886 5.555 -6.423 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.857 6.516 -7.176 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.696 5.277 -8.404 1.00 0.00 H new ATOM 0 HE ARG A 56 6.233 8.191 -8.750 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.867 4.932 -10.101 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.671 5.510 -11.759 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.978 8.941 -10.894 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.734 7.787 -12.209 1.00 0.00 H new ATOM 790 N ARG A 57 4.232 1.737 -7.675 1.00 0.00 N ATOM 791 CA ARG A 57 4.913 0.530 -7.235 1.00 0.00 C ATOM 792 C ARG A 57 6.004 0.876 -6.221 1.00 0.00 C ATOM 793 O ARG A 57 6.564 1.970 -6.256 1.00 0.00 O ATOM 794 CB ARG A 57 5.541 -0.210 -8.418 1.00 0.00 C ATOM 795 CG ARG A 57 4.768 -1.490 -8.737 1.00 0.00 C ATOM 796 CD ARG A 57 4.842 -1.819 -10.230 1.00 0.00 C ATOM 797 NE ARG A 57 3.652 -2.598 -10.637 1.00 0.00 N ATOM 798 CZ ARG A 57 3.419 -3.864 -10.265 1.00 0.00 C ATOM 799 NH1 ARG A 57 4.293 -4.501 -9.474 1.00 0.00 N ATOM 800 NH2 ARG A 57 2.311 -4.492 -10.684 1.00 0.00 N ATOM 0 H ARG A 57 4.024 1.770 -8.673 1.00 0.00 H new ATOM 0 HA ARG A 57 4.171 -0.118 -6.768 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.552 0.440 -9.293 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.578 -0.455 -8.189 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.175 -2.319 -8.158 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.726 -1.374 -8.438 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.900 -0.899 -10.811 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.748 -2.387 -10.441 1.00 0.00 H new ATOM 0 HE ARG A 57 2.966 -2.143 -11.239 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.135 -4.022 -9.155 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.116 -5.465 -9.191 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.646 -4.006 -11.286 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.133 -5.456 -10.401 1.00 0.00 H new ATOM 811 N PRO A 58 6.281 -0.103 -5.318 1.00 0.00 N ATOM 812 CA PRO A 58 7.296 0.088 -4.296 1.00 0.00 C ATOM 813 C PRO A 58 8.701 -0.016 -4.892 1.00 0.00 C ATOM 814 O PRO A 58 9.665 0.476 -4.307 1.00 0.00 O ATOM 815 CB PRO A 58 7.012 -0.983 -3.255 1.00 0.00 C ATOM 816 CG PRO A 58 6.146 -2.022 -3.951 1.00 0.00 C ATOM 817 CD PRO A 58 5.638 -1.411 -5.248 1.00 0.00 C ATOM 0 HA PRO A 58 7.260 1.081 -3.848 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.938 -1.428 -2.890 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.498 -0.561 -2.391 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.722 -2.925 -4.154 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.311 -2.313 -3.313 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.902 -2.028 -6.107 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.552 -1.319 -5.244 1.00 0.00 H new ATOM 822 N ALA A 59 8.773 -0.660 -6.047 1.00 0.00 N ATOM 823 CA ALA A 59 10.045 -0.835 -6.729 1.00 0.00 C ATOM 824 C ALA A 59 10.354 0.417 -7.551 1.00 0.00 C ATOM 825 O ALA A 59 11.506 0.661 -7.906 1.00 0.00 O ATOM 826 CB ALA A 59 9.993 -2.100 -7.589 1.00 0.00 C ATOM 0 H ALA A 59 7.971 -1.067 -6.529 1.00 0.00 H new ATOM 0 HA ALA A 59 10.853 -0.964 -6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.946 -2.232 -8.101 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.800 -2.964 -6.954 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.196 -2.006 -8.326 1.00 0.00 H new ATOM 832 N GLU A 60 9.306 1.178 -7.829 1.00 0.00 N ATOM 833 CA GLU A 60 9.451 2.399 -8.602 1.00 0.00 C ATOM 834 C GLU A 60 9.805 3.570 -7.684 1.00 0.00 C ATOM 835 O GLU A 60 10.294 4.601 -8.146 1.00 0.00 O ATOM 836 CB GLU A 60 8.181 2.695 -9.403 1.00 0.00 C ATOM 837 CG GLU A 60 7.995 1.679 -10.531 1.00 0.00 C ATOM 838 CD GLU A 60 8.039 2.364 -11.899 1.00 0.00 C ATOM 839 OE1 GLU A 60 9.153 2.770 -12.295 1.00 0.00 O ATOM 840 OE2 GLU A 60 6.957 2.466 -12.517 1.00 0.00 O ATOM 0 H GLU A 60 8.352 0.972 -7.532 1.00 0.00 H new ATOM 0 HA GLU A 60 10.266 2.261 -9.313 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.315 2.671 -8.741 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.236 3.701 -9.820 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.776 0.921 -10.475 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.042 1.165 -10.408 1.00 0.00 H new ATOM 845 N TYR A 61 9.546 3.374 -6.399 1.00 0.00 N ATOM 846 CA TYR A 61 9.831 4.400 -5.412 1.00 0.00 C ATOM 847 C TYR A 61 11.336 4.518 -5.163 1.00 0.00 C ATOM 848 O TYR A 61 12.107 3.652 -5.574 1.00 0.00 O ATOM 849 CB TYR A 61 9.146 3.946 -4.121 1.00 0.00 C ATOM 850 CG TYR A 61 7.759 4.553 -3.906 1.00 0.00 C ATOM 851 CD1 TYR A 61 7.520 5.868 -4.250 1.00 0.00 C ATOM 852 CD2 TYR A 61 6.746 3.786 -3.367 1.00 0.00 C ATOM 853 CE1 TYR A 61 6.214 6.439 -4.047 1.00 0.00 C ATOM 854 CE2 TYR A 61 5.440 4.357 -3.164 1.00 0.00 C ATOM 855 CZ TYR A 61 5.238 5.656 -3.514 1.00 0.00 C ATOM 856 OH TYR A 61 4.005 6.195 -3.323 1.00 0.00 O ATOM 0 H TYR A 61 9.141 2.518 -6.019 1.00 0.00 H new ATOM 0 HA TYR A 61 9.475 5.371 -5.755 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.058 2.860 -4.131 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.781 4.207 -3.274 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.313 6.469 -4.671 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.933 2.757 -3.097 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.014 7.467 -4.312 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.639 3.767 -2.743 1.00 0.00 H new ATOM 0 HH TYR A 61 3.555 6.296 -4.188 1.00 0.00 H new ATOM 865 N ASP A 62 11.710 5.597 -4.491 1.00 0.00 N ATOM 866 CA ASP A 62 13.108 5.840 -4.183 1.00 0.00 C ATOM 867 C ASP A 62 13.482 5.088 -2.904 1.00 0.00 C ATOM 868 O ASP A 62 12.652 4.388 -2.326 1.00 0.00 O ATOM 869 CB ASP A 62 13.370 7.329 -3.949 1.00 0.00 C ATOM 870 CG ASP A 62 12.229 8.259 -4.363 1.00 0.00 C ATOM 871 OD1 ASP A 62 11.090 7.991 -3.923 1.00 0.00 O ATOM 872 OD2 ASP A 62 12.522 9.218 -5.111 1.00 0.00 O ATOM 0 H ASP A 62 11.068 6.313 -4.151 1.00 0.00 H new ATOM 0 HA ASP A 62 13.704 5.498 -5.029 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.579 7.484 -2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.268 7.615 -4.496 1.00 0.00 H new ATOM 876 N PRO A 63 14.765 5.261 -2.488 1.00 0.00 N ATOM 877 CA PRO A 63 15.259 4.607 -1.289 1.00 0.00 C ATOM 878 C PRO A 63 14.723 5.292 -0.031 1.00 0.00 C ATOM 879 O PRO A 63 14.192 4.632 0.861 1.00 0.00 O ATOM 880 CB PRO A 63 16.774 4.672 -1.401 1.00 0.00 C ATOM 881 CG PRO A 63 17.071 5.761 -2.418 1.00 0.00 C ATOM 882 CD PRO A 63 15.776 6.082 -3.148 1.00 0.00 C ATOM 0 HA PRO A 63 14.923 3.573 -1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.227 4.904 -0.437 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.183 3.715 -1.723 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.461 6.650 -1.922 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.834 5.428 -3.122 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.533 7.142 -3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.850 5.843 -4.209 1.00 0.00 H new ATOM 887 N LYS A 64 14.879 6.607 0.001 1.00 0.00 N ATOM 888 CA LYS A 64 14.417 7.388 1.136 1.00 0.00 C ATOM 889 C LYS A 64 12.888 7.368 1.175 1.00 0.00 C ATOM 890 O LYS A 64 12.287 7.590 2.225 1.00 0.00 O ATOM 891 CB LYS A 64 15.012 8.798 1.094 1.00 0.00 C ATOM 892 CG LYS A 64 16.411 8.821 1.711 1.00 0.00 C ATOM 893 CD LYS A 64 17.473 8.430 0.682 1.00 0.00 C ATOM 894 CE LYS A 64 18.490 9.556 0.488 1.00 0.00 C ATOM 895 NZ LYS A 64 18.136 10.377 -0.691 1.00 0.00 N ATOM 0 H LYS A 64 15.319 7.152 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 64 14.766 6.946 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.060 9.146 0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.362 9.487 1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.625 9.817 2.098 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.450 8.135 2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.985 7.525 1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 64 16.995 8.199 -0.270 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.521 10.183 1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.487 9.135 0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 18.837 11.137 -0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.129 9.778 -1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.193 10.794 -0.553 1.00 0.00 H new ATOM 905 N ALA A 65 12.301 7.097 0.018 1.00 0.00 N ATOM 906 CA ALA A 65 10.854 7.044 -0.093 1.00 0.00 C ATOM 907 C ALA A 65 10.329 5.846 0.702 1.00 0.00 C ATOM 908 O ALA A 65 9.526 6.010 1.619 1.00 0.00 O ATOM 909 CB ALA A 65 10.457 6.982 -1.569 1.00 0.00 C ATOM 0 H ALA A 65 12.802 6.912 -0.851 1.00 0.00 H new ATOM 0 HA ALA A 65 10.404 7.943 0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.371 6.942 -1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.828 7.869 -2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.889 6.091 -2.025 1.00 0.00 H new ATOM 915 N LEU A 66 10.804 4.670 0.321 1.00 0.00 N ATOM 916 CA LEU A 66 10.394 3.446 0.988 1.00 0.00 C ATOM 917 C LEU A 66 10.464 3.646 2.503 1.00 0.00 C ATOM 918 O LEU A 66 9.582 3.199 3.233 1.00 0.00 O ATOM 919 CB LEU A 66 11.219 2.259 0.485 1.00 0.00 C ATOM 920 CG LEU A 66 11.122 1.961 -1.013 1.00 0.00 C ATOM 921 CD1 LEU A 66 12.191 0.954 -1.441 1.00 0.00 C ATOM 922 CD2 LEU A 66 9.714 1.498 -1.389 1.00 0.00 C ATOM 0 H LEU A 66 11.469 4.538 -0.441 1.00 0.00 H new ATOM 0 HA LEU A 66 9.358 3.210 0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.265 2.438 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.910 1.369 1.033 1.00 0.00 H new ATOM 0 HG LEU A 66 11.313 2.885 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.100 0.759 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.180 1.361 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.056 0.023 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.672 1.293 -2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.469 0.591 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.996 2.279 -1.141 1.00 0.00 H new ATOM 933 N MET A 67 11.523 4.318 2.930 1.00 0.00 N ATOM 934 CA MET A 67 11.720 4.583 4.345 1.00 0.00 C ATOM 935 C MET A 67 10.663 5.555 4.873 1.00 0.00 C ATOM 936 O MET A 67 10.223 5.439 6.016 1.00 0.00 O ATOM 937 CB MET A 67 13.113 5.176 4.564 1.00 0.00 C ATOM 938 CG MET A 67 14.137 4.076 4.855 1.00 0.00 C ATOM 939 SD MET A 67 15.782 4.769 4.895 1.00 0.00 S ATOM 940 CE MET A 67 16.186 4.709 3.157 1.00 0.00 C ATOM 0 H MET A 67 12.253 4.687 2.321 1.00 0.00 H new ATOM 0 HA MET A 67 11.626 3.643 4.888 1.00 0.00 H new ATOM 0 HB2 MET A 67 13.417 5.736 3.680 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.086 5.881 5.394 1.00 0.00 H new ATOM 0 HG2 MET A 67 13.911 3.600 5.809 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.078 3.301 4.090 1.00 0.00 H new ATOM 0 HE1 MET A 67 17.025 4.031 3.002 1.00 0.00 H new ATOM 0 HE2 MET A 67 15.323 4.353 2.595 1.00 0.00 H new ATOM 0 HE3 MET A 67 16.457 5.707 2.812 1.00 0.00 H new ATOM 948 N ALA A 68 10.287 6.493 4.016 1.00 0.00 N ATOM 949 CA ALA A 68 9.289 7.485 4.382 1.00 0.00 C ATOM 950 C ALA A 68 7.902 6.842 4.351 1.00 0.00 C ATOM 951 O ALA A 68 6.960 7.358 4.952 1.00 0.00 O ATOM 952 CB ALA A 68 9.396 8.687 3.442 1.00 0.00 C ATOM 0 H ALA A 68 10.655 6.587 3.069 1.00 0.00 H new ATOM 0 HA ALA A 68 9.461 7.847 5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.648 9.431 3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.391 9.125 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.226 8.362 2.415 1.00 0.00 H new ATOM 958 N ILE A 69 7.818 5.724 3.644 1.00 0.00 N ATOM 959 CA ILE A 69 6.560 5.005 3.527 1.00 0.00 C ATOM 960 C ILE A 69 6.329 4.181 4.795 1.00 0.00 C ATOM 961 O ILE A 69 5.221 4.154 5.328 1.00 0.00 O ATOM 962 CB ILE A 69 6.536 4.176 2.242 1.00 0.00 C ATOM 963 CG1 ILE A 69 6.672 5.072 1.008 1.00 0.00 C ATOM 964 CG2 ILE A 69 5.283 3.299 2.179 1.00 0.00 C ATOM 965 CD1 ILE A 69 7.402 4.342 -0.121 1.00 0.00 C ATOM 0 H ILE A 69 8.600 5.299 3.147 1.00 0.00 H new ATOM 0 HA ILE A 69 5.727 5.704 3.445 1.00 0.00 H new ATOM 0 HB ILE A 69 7.397 3.508 2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.684 5.380 0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.216 5.979 1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.290 2.720 1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.270 2.621 3.032 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.395 3.931 2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.485 5.000 -0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.399 4.056 0.215 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.843 3.448 -0.398 1.00 0.00 H new ATOM 976 N LEU A 70 7.392 3.530 5.242 1.00 0.00 N ATOM 977 CA LEU A 70 7.319 2.707 6.437 1.00 0.00 C ATOM 978 C LEU A 70 7.095 3.605 7.656 1.00 0.00 C ATOM 979 O LEU A 70 6.574 3.156 8.675 1.00 0.00 O ATOM 980 CB LEU A 70 8.557 1.815 6.551 1.00 0.00 C ATOM 981 CG LEU A 70 8.941 1.038 5.290 1.00 0.00 C ATOM 982 CD1 LEU A 70 10.456 0.832 5.214 1.00 0.00 C ATOM 983 CD2 LEU A 70 8.178 -0.284 5.206 1.00 0.00 C ATOM 0 H LEU A 70 8.310 3.556 4.798 1.00 0.00 H new ATOM 0 HA LEU A 70 6.469 2.027 6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.403 2.437 6.843 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.393 1.101 7.358 1.00 0.00 H new ATOM 0 HG LEU A 70 8.652 1.631 4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.703 0.277 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.954 1.801 5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.791 0.271 6.086 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.470 -0.816 4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.412 -0.895 6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.107 -0.085 5.180 1.00 0.00 H new ATOM 994 N GLU A 71 7.499 4.858 7.510 1.00 0.00 N ATOM 995 CA GLU A 71 7.350 5.823 8.586 1.00 0.00 C ATOM 996 C GLU A 71 5.981 6.502 8.503 1.00 0.00 C ATOM 997 O GLU A 71 5.317 6.696 9.521 1.00 0.00 O ATOM 998 CB GLU A 71 8.477 6.857 8.556 1.00 0.00 C ATOM 999 CG GLU A 71 9.766 6.279 9.145 1.00 0.00 C ATOM 1000 CD GLU A 71 10.816 7.374 9.345 1.00 0.00 C ATOM 1001 OE1 GLU A 71 10.999 8.166 8.395 1.00 0.00 O ATOM 1002 OE2 GLU A 71 11.412 7.394 10.444 1.00 0.00 O ATOM 0 H GLU A 71 7.930 5.228 6.662 1.00 0.00 H new ATOM 0 HA GLU A 71 7.414 5.292 9.536 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.654 7.178 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.180 7.741 9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.551 5.798 10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.160 5.509 8.482 1.00 0.00 H new ATOM 1007 N HIS A 72 5.599 6.845 7.281 1.00 0.00 N ATOM 1008 CA HIS A 72 4.321 7.497 7.052 1.00 0.00 C ATOM 1009 C HIS A 72 3.210 6.446 6.997 1.00 0.00 C ATOM 1010 O HIS A 72 2.028 6.786 7.012 1.00 0.00 O ATOM 1011 CB HIS A 72 4.375 8.369 5.796 1.00 0.00 C ATOM 1012 CG HIS A 72 5.301 9.557 5.911 1.00 0.00 C ATOM 1013 ND1 HIS A 72 4.926 10.837 5.543 1.00 0.00 N ATOM 1014 CD2 HIS A 72 6.586 9.644 6.359 1.00 0.00 C ATOM 1015 CE1 HIS A 72 5.949 11.651 5.762 1.00 0.00 C ATOM 1016 NE2 HIS A 72 6.977 10.909 6.267 1.00 0.00 N ATOM 0 H HIS A 72 6.152 6.683 6.439 1.00 0.00 H new ATOM 0 HA HIS A 72 4.097 8.168 7.881 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.692 7.755 4.953 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.370 8.725 5.570 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.184 8.823 6.726 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.966 12.714 5.574 1.00 0.00 H new ATOM 0 HE2 HIS A 72 7.895 11.268 6.530 1.00 0.00 H new ATOM 1023 N SER A 73 3.630 5.191 6.935 1.00 0.00 N ATOM 1024 CA SER A 73 2.685 4.088 6.878 1.00 0.00 C ATOM 1025 C SER A 73 1.575 4.296 7.912 1.00 0.00 C ATOM 1026 O SER A 73 0.401 4.083 7.617 1.00 0.00 O ATOM 1027 CB SER A 73 3.386 2.749 7.115 1.00 0.00 C ATOM 1028 OG SER A 73 3.186 2.269 8.441 1.00 0.00 O ATOM 0 H SER A 73 4.611 4.913 6.923 1.00 0.00 H new ATOM 0 HA SER A 73 2.245 4.066 5.881 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.012 2.013 6.403 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.454 2.861 6.927 1.00 0.00 H new ATOM 0 HG SER A 73 3.648 1.412 8.552 1.00 0.00 H new ATOM 1033 N HIS A 74 1.988 4.708 9.101 1.00 0.00 N ATOM 1034 CA HIS A 74 1.044 4.948 10.179 1.00 0.00 C ATOM 1035 C HIS A 74 -0.121 5.795 9.663 1.00 0.00 C ATOM 1036 O HIS A 74 -1.217 5.757 10.222 1.00 0.00 O ATOM 1037 CB HIS A 74 1.744 5.574 11.386 1.00 0.00 C ATOM 1038 CG HIS A 74 2.074 7.037 11.212 1.00 0.00 C ATOM 1039 ND1 HIS A 74 3.103 7.484 10.401 1.00 0.00 N ATOM 1040 CD2 HIS A 74 1.501 8.151 11.754 1.00 0.00 C ATOM 1041 CE1 HIS A 74 3.138 8.806 10.459 1.00 0.00 C ATOM 1042 NE2 HIS A 74 2.145 9.218 11.299 1.00 0.00 N ATOM 0 H HIS A 74 2.964 4.882 9.342 1.00 0.00 H new ATOM 0 HA HIS A 74 0.633 3.999 10.524 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.108 5.457 12.263 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.665 5.025 11.584 1.00 0.00 H new ATOM 0 HD1 HIS A 74 3.728 6.894 9.852 1.00 0.00 H new ATOM 0 HD2 HIS A 74 0.665 8.162 12.438 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.831 9.446 9.934 1.00 0.00 H new ATOM 1049 N ARG A 75 0.156 6.540 8.603 1.00 0.00 N ATOM 1050 CA ARG A 75 -0.855 7.395 8.006 1.00 0.00 C ATOM 1051 C ARG A 75 -1.412 6.751 6.735 1.00 0.00 C ATOM 1052 O ARG A 75 -2.606 6.853 6.454 1.00 0.00 O ATOM 1053 CB ARG A 75 -0.280 8.770 7.662 1.00 0.00 C ATOM 1054 CG ARG A 75 0.780 9.192 8.681 1.00 0.00 C ATOM 1055 CD ARG A 75 0.766 10.707 8.893 1.00 0.00 C ATOM 1056 NE ARG A 75 -0.568 11.139 9.366 1.00 0.00 N ATOM 1057 CZ ARG A 75 -0.833 12.358 9.855 1.00 0.00 C ATOM 1058 NH1 ARG A 75 0.142 13.274 9.940 1.00 0.00 N ATOM 1059 NH2 ARG A 75 -2.074 12.663 10.260 1.00 0.00 N ATOM 0 H ARG A 75 1.066 6.569 8.143 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.656 7.520 8.735 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.159 8.745 6.665 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.082 9.508 7.639 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.599 8.687 9.630 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.766 8.879 8.336 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.528 10.988 9.621 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.013 11.215 7.961 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.334 10.467 9.317 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.087 13.043 9.632 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.061 14.202 10.312 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.817 11.967 10.196 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.275 13.591 10.632 1.00 0.00 H new ATOM 1070 N ILE A 76 -0.522 6.102 6.000 1.00 0.00 N ATOM 1071 CA ILE A 76 -0.909 5.441 4.765 1.00 0.00 C ATOM 1072 C ILE A 76 -2.216 4.678 4.988 1.00 0.00 C ATOM 1073 O ILE A 76 -2.275 3.770 5.816 1.00 0.00 O ATOM 1074 CB ILE A 76 0.232 4.566 4.245 1.00 0.00 C ATOM 1075 CG1 ILE A 76 1.487 5.400 3.979 1.00 0.00 C ATOM 1076 CG2 ILE A 76 -0.202 3.775 3.008 1.00 0.00 C ATOM 1077 CD1 ILE A 76 2.576 4.558 3.314 1.00 0.00 C ATOM 0 H ILE A 76 0.467 6.019 6.236 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.098 6.176 3.983 1.00 0.00 H new ATOM 0 HB ILE A 76 0.485 3.841 5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.236 6.247 3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.861 5.809 4.917 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.628 3.161 2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.045 3.133 3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.499 4.467 2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.456 5.176 3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.842 3.726 3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.207 4.171 2.364 1.00 0.00 H new ATOM 1088 N ARG A 77 -3.232 5.074 4.236 1.00 0.00 N ATOM 1089 CA ARG A 77 -4.535 4.439 4.342 1.00 0.00 C ATOM 1090 C ARG A 77 -5.157 4.269 2.954 1.00 0.00 C ATOM 1091 O ARG A 77 -5.189 5.212 2.165 1.00 0.00 O ATOM 1092 CB ARG A 77 -5.480 5.263 5.219 1.00 0.00 C ATOM 1093 CG ARG A 77 -5.247 4.968 6.702 1.00 0.00 C ATOM 1094 CD ARG A 77 -5.970 3.689 7.128 1.00 0.00 C ATOM 1095 NE ARG A 77 -7.401 3.974 7.374 1.00 0.00 N ATOM 1096 CZ ARG A 77 -8.336 3.030 7.550 1.00 0.00 C ATOM 1097 NH1 ARG A 77 -7.996 1.734 7.510 1.00 0.00 N ATOM 1098 NH2 ARG A 77 -9.610 3.382 7.768 1.00 0.00 N ATOM 0 H ARG A 77 -3.179 5.827 3.550 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.391 3.461 4.802 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.327 6.325 5.027 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.514 5.038 4.958 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.179 4.866 6.893 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.600 5.806 7.303 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.870 2.930 6.352 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.511 3.285 8.030 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.694 4.950 7.412 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.026 1.466 7.346 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.708 1.016 7.644 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.868 4.368 7.800 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.322 2.664 7.902 1.00 0.00 H new ATOM 1109 N PHE A 78 -5.636 3.060 2.699 1.00 0.00 N ATOM 1110 CA PHE A 78 -6.255 2.755 1.421 1.00 0.00 C ATOM 1111 C PHE A 78 -7.733 3.147 1.420 1.00 0.00 C ATOM 1112 O PHE A 78 -8.392 3.100 2.457 1.00 0.00 O ATOM 1113 CB PHE A 78 -6.140 1.243 1.218 1.00 0.00 C ATOM 1114 CG PHE A 78 -4.766 0.782 0.730 1.00 0.00 C ATOM 1115 CD1 PHE A 78 -3.646 1.143 1.412 1.00 0.00 C ATOM 1116 CD2 PHE A 78 -4.663 0.011 -0.385 1.00 0.00 C ATOM 1117 CE1 PHE A 78 -2.369 0.715 0.960 1.00 0.00 C ATOM 1118 CE2 PHE A 78 -3.387 -0.417 -0.838 1.00 0.00 C ATOM 1119 CZ PHE A 78 -2.266 -0.055 -0.157 1.00 0.00 C ATOM 0 H PHE A 78 -5.608 2.280 3.356 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.759 3.311 0.625 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.366 0.742 2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.895 0.925 0.499 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.728 1.755 2.298 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.552 -0.276 -0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.480 1.001 1.503 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.306 -1.030 -1.723 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.295 -0.379 -0.503 1.00 0.00 H new ATOM 1128 N LYS A 79 -8.212 3.526 0.244 1.00 0.00 N ATOM 1129 CA LYS A 79 -9.600 3.926 0.094 1.00 0.00 C ATOM 1130 C LYS A 79 -10.195 3.238 -1.136 1.00 0.00 C ATOM 1131 O LYS A 79 -9.758 3.482 -2.259 1.00 0.00 O ATOM 1132 CB LYS A 79 -9.718 5.452 0.063 1.00 0.00 C ATOM 1133 CG LYS A 79 -10.016 6.007 1.457 1.00 0.00 C ATOM 1134 CD LYS A 79 -11.523 6.084 1.707 1.00 0.00 C ATOM 1135 CE LYS A 79 -12.089 7.425 1.236 1.00 0.00 C ATOM 1136 NZ LYS A 79 -11.988 8.436 2.312 1.00 0.00 N ATOM 0 H LYS A 79 -7.662 3.564 -0.614 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.185 3.602 0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.791 5.884 -0.314 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.510 5.745 -0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.551 5.373 2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.576 6.999 1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.024 5.270 1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.726 5.953 2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.545 7.767 0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.131 7.303 0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.376 9.340 1.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.526 8.115 3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.990 8.564 2.575 1.00 0.00 H new ATOM 1146 N LEU A 80 -11.184 2.394 -0.883 1.00 0.00 N ATOM 1147 CA LEU A 80 -11.844 1.670 -1.955 1.00 0.00 C ATOM 1148 C LEU A 80 -13.052 2.472 -2.439 1.00 0.00 C ATOM 1149 O LEU A 80 -13.604 3.281 -1.693 1.00 0.00 O ATOM 1150 CB LEU A 80 -12.189 0.247 -1.508 1.00 0.00 C ATOM 1151 CG LEU A 80 -11.047 -0.768 -1.564 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -11.524 -2.156 -1.127 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -10.403 -0.796 -2.952 1.00 0.00 C ATOM 0 H LEU A 80 -11.545 2.195 0.050 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.174 1.558 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.561 0.289 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.006 -0.120 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.278 -0.453 -0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.692 -2.859 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.898 -2.107 -0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.322 -2.492 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.594 -1.526 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.151 -1.072 -3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.004 0.191 -3.188 1.00 0.00 H new ATOM 1164 N LYS A 81 -13.430 2.221 -3.684 1.00 0.00 N ATOM 1165 CA LYS A 81 -14.563 2.911 -4.276 1.00 0.00 C ATOM 1166 C LYS A 81 -15.795 2.713 -3.390 1.00 0.00 C ATOM 1167 O LYS A 81 -16.712 3.532 -3.405 1.00 0.00 O ATOM 1168 CB LYS A 81 -14.769 2.460 -5.723 1.00 0.00 C ATOM 1169 CG LYS A 81 -15.376 1.058 -5.780 1.00 0.00 C ATOM 1170 CD LYS A 81 -14.528 0.126 -6.648 1.00 0.00 C ATOM 1171 CE LYS A 81 -14.776 -1.339 -6.285 1.00 0.00 C ATOM 1172 NZ LYS A 81 -13.816 -1.787 -5.251 1.00 0.00 N ATOM 0 H LYS A 81 -12.971 1.549 -4.299 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.373 3.983 -4.324 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.423 3.164 -6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.815 2.468 -6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.454 0.651 -4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.388 1.112 -6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.764 0.289 -7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.472 0.363 -6.518 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.796 -1.462 -5.920 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.678 -1.962 -7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.999 -2.784 -5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.846 -1.688 -5.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.928 -1.204 -4.397 1.00 0.00 H new