USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=10 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 138:sc= 0 (180deg=-1.17) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.317 USER MOD Single : A 21 SER OG : rot -141:sc= -0.287 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -4:sc= 1.39 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 69:sc= 0.822 USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= -0.0171 (180deg=-0.241) USER MOD Single : A 67 MET CE :methyl -115:sc= -3.5! (180deg=-8.15!) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -3.44! C(o=-6.8!,f=-3.4!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.104 K(o=-0.1,f=-0.6) 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 13.812 -2.946 2.028 1.00 0.00 N ATOM 63 CA LEU A 8 13.008 -1.736 2.081 1.00 0.00 C ATOM 64 C LEU A 8 11.805 -1.886 1.148 1.00 0.00 C ATOM 65 O LEU A 8 10.660 -1.872 1.599 1.00 0.00 O ATOM 66 CB LEU A 8 13.869 -0.507 1.781 1.00 0.00 C ATOM 67 CG LEU A 8 14.488 0.191 2.995 1.00 0.00 C ATOM 68 CD1 LEU A 8 15.234 1.459 2.576 1.00 0.00 C ATOM 69 CD2 LEU A 8 13.430 0.474 4.063 1.00 0.00 C ATOM 0 HA LEU A 8 12.615 -1.584 3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.674 -0.807 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.258 0.218 1.243 1.00 0.00 H new ATOM 0 HG LEU A 8 15.221 -0.482 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.664 1.936 3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.030 1.199 1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.540 2.147 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.896 0.970 4.914 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.656 1.119 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.983 -0.465 4.390 1.00 0.00 H new ATOM 80 N ARG A 9 12.104 -2.028 -0.134 1.00 0.00 N ATOM 81 CA ARG A 9 11.062 -2.180 -1.134 1.00 0.00 C ATOM 82 C ARG A 9 10.201 -3.405 -0.820 1.00 0.00 C ATOM 83 O ARG A 9 9.020 -3.444 -1.163 1.00 0.00 O ATOM 84 CB ARG A 9 11.659 -2.330 -2.535 1.00 0.00 C ATOM 85 CG ARG A 9 10.570 -2.256 -3.607 1.00 0.00 C ATOM 86 CD ARG A 9 10.565 -3.519 -4.471 1.00 0.00 C ATOM 87 NE ARG A 9 11.773 -3.551 -5.326 1.00 0.00 N ATOM 88 CZ ARG A 9 12.145 -4.608 -6.061 1.00 0.00 C ATOM 89 NH1 ARG A 9 11.406 -5.725 -6.049 1.00 0.00 N ATOM 90 NH2 ARG A 9 13.256 -4.548 -6.807 1.00 0.00 N ATOM 0 H ARG A 9 13.055 -2.041 -0.504 1.00 0.00 H new ATOM 0 HA ARG A 9 10.445 -1.281 -1.109 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.396 -1.545 -2.706 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.184 -3.282 -2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.596 -2.131 -3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.733 -1.381 -4.236 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.535 -4.404 -3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.669 -3.542 -5.092 1.00 0.00 H new ATOM 0 HE ARG A 9 12.359 -2.717 -5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.560 -5.771 -5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.689 -6.530 -6.608 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.819 -3.698 -6.816 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.539 -5.353 -7.366 1.00 0.00 H new ATOM 101 N LYS A 10 10.826 -4.378 -0.172 1.00 0.00 N ATOM 102 CA LYS A 10 10.132 -5.601 0.192 1.00 0.00 C ATOM 103 C LYS A 10 9.205 -5.324 1.378 1.00 0.00 C ATOM 104 O LYS A 10 8.136 -5.921 1.488 1.00 0.00 O ATOM 105 CB LYS A 10 11.133 -6.730 0.444 1.00 0.00 C ATOM 106 CG LYS A 10 10.482 -7.876 1.224 1.00 0.00 C ATOM 107 CD LYS A 10 9.215 -8.366 0.521 1.00 0.00 C ATOM 108 CE LYS A 10 8.052 -8.486 1.508 1.00 0.00 C ATOM 109 NZ LYS A 10 7.661 -9.903 1.679 1.00 0.00 N ATOM 0 H LYS A 10 11.806 -4.344 0.110 1.00 0.00 H new ATOM 0 HA LYS A 10 9.503 -5.941 -0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.514 -7.103 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 10 11.988 -6.346 1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.188 -8.700 1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.237 -7.542 2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.948 -7.675 -0.279 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.404 -9.334 0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.339 -8.063 2.471 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.201 -7.909 1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.871 -9.966 2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.367 -10.295 0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.470 -10.445 2.044 1.00 0.00 H new ATOM 119 N MET A 11 9.650 -4.417 2.235 1.00 0.00 N ATOM 120 CA MET A 11 8.874 -4.053 3.408 1.00 0.00 C ATOM 121 C MET A 11 7.558 -3.384 3.010 1.00 0.00 C ATOM 122 O MET A 11 6.482 -3.856 3.377 1.00 0.00 O ATOM 123 CB MET A 11 9.688 -3.096 4.282 1.00 0.00 C ATOM 124 CG MET A 11 10.839 -3.830 4.974 1.00 0.00 C ATOM 125 SD MET A 11 10.733 -3.604 6.741 1.00 0.00 S ATOM 126 CE MET A 11 11.564 -2.032 6.903 1.00 0.00 C ATOM 0 H MET A 11 10.538 -3.924 2.140 1.00 0.00 H new ATOM 0 HA MET A 11 8.644 -4.962 3.964 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.084 -2.286 3.669 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.040 -2.641 5.031 1.00 0.00 H new ATOM 0 HG2 MET A 11 10.801 -4.892 4.732 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.794 -3.453 4.608 1.00 0.00 H new ATOM 0 HE1 MET A 11 11.024 -1.407 7.614 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.581 -2.193 7.261 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.595 -1.535 5.933 1.00 0.00 H new ATOM 134 N VAL A 12 7.685 -2.296 2.265 1.00 0.00 N ATOM 135 CA VAL A 12 6.518 -1.559 1.812 1.00 0.00 C ATOM 136 C VAL A 12 5.651 -2.469 0.940 1.00 0.00 C ATOM 137 O VAL A 12 4.424 -2.388 0.979 1.00 0.00 O ATOM 138 CB VAL A 12 6.953 -0.280 1.093 1.00 0.00 C ATOM 139 CG1 VAL A 12 8.192 -0.530 0.231 1.00 0.00 C ATOM 140 CG2 VAL A 12 5.809 0.295 0.256 1.00 0.00 C ATOM 0 H VAL A 12 8.579 -1.907 1.964 1.00 0.00 H new ATOM 0 HA VAL A 12 5.910 -1.248 2.662 1.00 0.00 H new ATOM 0 HB VAL A 12 7.216 0.458 1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.480 0.395 -0.269 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.012 -0.872 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.968 -1.292 -0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.145 1.203 -0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.500 -0.437 -0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.965 0.529 0.905 1.00 0.00 H new ATOM 150 N GLU A 13 6.323 -3.314 0.172 1.00 0.00 N ATOM 151 CA GLU A 13 5.629 -4.238 -0.708 1.00 0.00 C ATOM 152 C GLU A 13 4.452 -4.887 0.023 1.00 0.00 C ATOM 153 O GLU A 13 3.344 -4.948 -0.508 1.00 0.00 O ATOM 154 CB GLU A 13 6.587 -5.300 -1.254 1.00 0.00 C ATOM 155 CG GLU A 13 7.270 -4.816 -2.533 1.00 0.00 C ATOM 156 CD GLU A 13 6.495 -5.267 -3.774 1.00 0.00 C ATOM 157 OE1 GLU A 13 5.301 -5.595 -3.607 1.00 0.00 O ATOM 158 OE2 GLU A 13 7.115 -5.271 -4.860 1.00 0.00 O ATOM 0 H GLU A 13 7.341 -3.378 0.141 1.00 0.00 H new ATOM 0 HA GLU A 13 5.239 -3.676 -1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.340 -5.536 -0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.039 -6.220 -1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.343 -3.729 -2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.288 -5.204 -2.575 1.00 0.00 H new ATOM 163 N GLU A 14 4.731 -5.353 1.231 1.00 0.00 N ATOM 164 CA GLU A 14 3.709 -5.994 2.041 1.00 0.00 C ATOM 165 C GLU A 14 2.745 -4.948 2.604 1.00 0.00 C ATOM 166 O GLU A 14 1.537 -5.173 2.651 1.00 0.00 O ATOM 167 CB GLU A 14 4.338 -6.820 3.164 1.00 0.00 C ATOM 168 CG GLU A 14 4.452 -6.000 4.451 1.00 0.00 C ATOM 169 CD GLU A 14 5.342 -6.708 5.475 1.00 0.00 C ATOM 170 OE1 GLU A 14 6.390 -7.237 5.047 1.00 0.00 O ATOM 171 OE2 GLU A 14 4.952 -6.704 6.663 1.00 0.00 O ATOM 0 H GLU A 14 5.651 -5.300 1.669 1.00 0.00 H new ATOM 0 HA GLU A 14 3.144 -6.676 1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.735 -7.709 3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.327 -7.163 2.858 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.864 -5.016 4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.460 -5.841 4.874 1.00 0.00 H new ATOM 176 N VAL A 15 3.315 -3.825 3.016 1.00 0.00 N ATOM 177 CA VAL A 15 2.521 -2.744 3.574 1.00 0.00 C ATOM 178 C VAL A 15 1.313 -2.485 2.671 1.00 0.00 C ATOM 179 O VAL A 15 0.175 -2.732 3.065 1.00 0.00 O ATOM 180 CB VAL A 15 3.394 -1.503 3.774 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.534 -0.264 4.034 1.00 0.00 C ATOM 182 CG2 VAL A 15 4.401 -1.719 4.906 1.00 0.00 C ATOM 0 H VAL A 15 4.317 -3.641 2.974 1.00 0.00 H new ATOM 0 HA VAL A 15 2.139 -3.019 4.557 1.00 0.00 H new ATOM 0 HB VAL A 15 3.954 -1.335 2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.179 0.604 4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.874 -0.094 3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.935 -0.418 4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.009 -0.823 5.028 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.867 -1.924 5.834 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.045 -2.564 4.664 1.00 0.00 H new ATOM 192 N PHE A 16 1.603 -1.991 1.475 1.00 0.00 N ATOM 193 CA PHE A 16 0.555 -1.696 0.514 1.00 0.00 C ATOM 194 C PHE A 16 -0.376 -2.897 0.332 1.00 0.00 C ATOM 195 O PHE A 16 -1.560 -2.731 0.046 1.00 0.00 O ATOM 196 CB PHE A 16 1.243 -1.394 -0.819 1.00 0.00 C ATOM 197 CG PHE A 16 1.821 0.019 -0.914 1.00 0.00 C ATOM 198 CD1 PHE A 16 1.136 1.071 -0.389 1.00 0.00 C ATOM 199 CD2 PHE A 16 3.021 0.224 -1.522 1.00 0.00 C ATOM 200 CE1 PHE A 16 1.673 2.382 -0.477 1.00 0.00 C ATOM 201 CE2 PHE A 16 3.557 1.536 -1.610 1.00 0.00 C ATOM 202 CZ PHE A 16 2.872 2.587 -1.085 1.00 0.00 C ATOM 0 H PHE A 16 2.549 -1.788 1.151 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.044 -0.855 0.863 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.046 -2.115 -0.974 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.526 -1.537 -1.627 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.184 0.909 0.094 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.566 -0.611 -1.938 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.129 3.217 -0.061 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.509 1.699 -2.094 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.280 3.585 -1.151 1.00 0.00 H new ATOM 211 N ASP A 17 0.196 -4.080 0.506 1.00 0.00 N ATOM 212 CA ASP A 17 -0.568 -5.308 0.364 1.00 0.00 C ATOM 213 C ASP A 17 -1.518 -5.452 1.556 1.00 0.00 C ATOM 214 O ASP A 17 -2.725 -5.602 1.376 1.00 0.00 O ATOM 215 CB ASP A 17 0.352 -6.529 0.343 1.00 0.00 C ATOM 216 CG ASP A 17 0.585 -7.140 -1.040 1.00 0.00 C ATOM 217 OD1 ASP A 17 0.577 -6.356 -2.014 1.00 0.00 O ATOM 218 OD2 ASP A 17 0.764 -8.376 -1.093 1.00 0.00 O ATOM 0 H ASP A 17 1.179 -4.214 0.744 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.120 -5.256 -0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.316 -6.246 0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.070 -7.294 0.995 1.00 0.00 H new ATOM 222 N VAL A 18 -0.936 -5.403 2.745 1.00 0.00 N ATOM 223 CA VAL A 18 -1.716 -5.525 3.965 1.00 0.00 C ATOM 224 C VAL A 18 -2.836 -4.485 3.957 1.00 0.00 C ATOM 225 O VAL A 18 -4.015 -4.836 3.965 1.00 0.00 O ATOM 226 CB VAL A 18 -0.800 -5.409 5.185 1.00 0.00 C ATOM 227 CG1 VAL A 18 -1.590 -4.986 6.425 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.047 -6.717 5.434 1.00 0.00 C ATOM 0 H VAL A 18 0.066 -5.281 2.890 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.186 -6.507 4.020 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.062 -4.634 4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.916 -4.911 7.278 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.058 -4.018 6.246 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.361 -5.727 6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.596 -6.606 6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.762 -7.521 5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.562 -6.958 4.563 1.00 0.00 H new ATOM 238 N LEU A 19 -2.430 -3.223 3.941 1.00 0.00 N ATOM 239 CA LEU A 19 -3.384 -2.129 3.931 1.00 0.00 C ATOM 240 C LEU A 19 -4.501 -2.440 2.932 1.00 0.00 C ATOM 241 O LEU A 19 -5.676 -2.458 3.293 1.00 0.00 O ATOM 242 CB LEU A 19 -2.674 -0.801 3.666 1.00 0.00 C ATOM 243 CG LEU A 19 -1.526 -0.452 4.615 1.00 0.00 C ATOM 244 CD1 LEU A 19 -1.150 1.027 4.502 1.00 0.00 C ATOM 245 CD2 LEU A 19 -1.865 -0.849 6.054 1.00 0.00 C ATOM 0 H LEU A 19 -1.452 -2.935 3.935 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.852 -2.023 4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.285 -0.817 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.413 -0.001 3.713 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.650 -1.030 4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.332 1.248 5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.837 1.246 3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.013 1.642 4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.033 -0.590 6.709 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.760 -0.317 6.377 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.044 -1.923 6.102 1.00 0.00 H new ATOM 256 N TYR A 20 -4.093 -2.678 1.694 1.00 0.00 N ATOM 257 CA TYR A 20 -5.044 -2.987 0.640 1.00 0.00 C ATOM 258 C TYR A 20 -6.026 -4.071 1.088 1.00 0.00 C ATOM 259 O TYR A 20 -7.236 -3.852 1.095 1.00 0.00 O ATOM 260 CB TYR A 20 -4.215 -3.519 -0.532 1.00 0.00 C ATOM 261 CG TYR A 20 -5.054 -4.036 -1.703 1.00 0.00 C ATOM 262 CD1 TYR A 20 -6.109 -3.285 -2.180 1.00 0.00 C ATOM 263 CD2 TYR A 20 -4.755 -5.253 -2.282 1.00 0.00 C ATOM 264 CE1 TYR A 20 -6.899 -3.771 -3.283 1.00 0.00 C ATOM 265 CE2 TYR A 20 -5.545 -5.739 -3.383 1.00 0.00 C ATOM 266 CZ TYR A 20 -6.577 -4.975 -3.830 1.00 0.00 C ATOM 267 OH TYR A 20 -7.323 -5.434 -4.871 1.00 0.00 O ATOM 0 H TYR A 20 -3.117 -2.663 1.397 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.625 -2.103 0.375 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.560 -2.725 -0.890 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.574 -4.324 -0.174 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.343 -2.333 -1.727 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.929 -5.840 -1.909 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.727 -3.193 -3.667 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.323 -6.690 -3.844 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.979 -6.304 -5.161 1.00 0.00 H new ATOM 276 N SER A 21 -5.468 -5.217 1.450 1.00 0.00 N ATOM 277 CA SER A 21 -6.280 -6.335 1.899 1.00 0.00 C ATOM 278 C SER A 21 -7.183 -5.898 3.054 1.00 0.00 C ATOM 279 O SER A 21 -8.374 -6.199 3.065 1.00 0.00 O ATOM 280 CB SER A 21 -5.405 -7.515 2.326 1.00 0.00 C ATOM 281 OG SER A 21 -5.968 -8.765 1.940 1.00 0.00 O ATOM 0 H SER A 21 -4.464 -5.395 1.441 1.00 0.00 H new ATOM 0 HA SER A 21 -6.902 -6.661 1.065 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.415 -7.411 1.882 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.273 -7.496 3.408 1.00 0.00 H new ATOM 0 HG SER A 21 -5.823 -9.423 2.652 1.00 0.00 H new ATOM 286 N GLU A 22 -6.578 -5.192 3.999 1.00 0.00 N ATOM 287 CA GLU A 22 -7.312 -4.709 5.157 1.00 0.00 C ATOM 288 C GLU A 22 -8.585 -3.984 4.714 1.00 0.00 C ATOM 289 O GLU A 22 -9.656 -4.202 5.279 1.00 0.00 O ATOM 290 CB GLU A 22 -6.436 -3.800 6.021 1.00 0.00 C ATOM 291 CG GLU A 22 -5.409 -4.616 6.808 1.00 0.00 C ATOM 292 CD GLU A 22 -5.069 -3.936 8.136 1.00 0.00 C ATOM 293 OE1 GLU A 22 -5.889 -4.072 9.069 1.00 0.00 O ATOM 294 OE2 GLU A 22 -3.997 -3.296 8.188 1.00 0.00 O ATOM 0 H GLU A 22 -5.589 -4.943 3.986 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.599 -5.567 5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.923 -3.075 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.062 -3.234 6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.801 -5.615 6.997 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.503 -4.736 6.214 1.00 0.00 H new ATOM 299 N ALA A 23 -8.425 -3.137 3.708 1.00 0.00 N ATOM 300 CA ALA A 23 -9.548 -2.379 3.182 1.00 0.00 C ATOM 301 C ALA A 23 -10.484 -3.322 2.424 1.00 0.00 C ATOM 302 O ALA A 23 -11.690 -3.084 2.358 1.00 0.00 O ATOM 303 CB ALA A 23 -9.029 -1.241 2.302 1.00 0.00 C ATOM 0 H ALA A 23 -7.535 -2.959 3.243 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.120 -1.928 3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.871 -0.673 1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.393 -0.583 2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.452 -1.655 1.475 1.00 0.00 H new ATOM 309 N LEU A 24 -9.896 -4.372 1.872 1.00 0.00 N ATOM 310 CA LEU A 24 -10.662 -5.351 1.120 1.00 0.00 C ATOM 311 C LEU A 24 -11.425 -6.251 2.094 1.00 0.00 C ATOM 312 O LEU A 24 -12.457 -6.820 1.741 1.00 0.00 O ATOM 313 CB LEU A 24 -9.754 -6.119 0.158 1.00 0.00 C ATOM 314 CG LEU A 24 -9.836 -5.708 -1.314 1.00 0.00 C ATOM 315 CD1 LEU A 24 -8.728 -6.374 -2.132 1.00 0.00 C ATOM 316 CD2 LEU A 24 -11.225 -5.995 -1.887 1.00 0.00 C ATOM 0 H LEU A 24 -8.896 -4.567 1.930 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.403 -4.855 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.723 -6.001 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.993 -7.180 0.232 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.679 -4.631 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.809 -6.065 -3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.756 -6.075 -1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.828 -7.457 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.256 -5.694 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.437 -7.061 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.973 -5.435 -1.326 1.00 0.00 H new ATOM 327 N GLY A 25 -10.890 -6.350 3.302 1.00 0.00 N ATOM 328 CA GLY A 25 -11.507 -7.171 4.330 1.00 0.00 C ATOM 329 C GLY A 25 -11.403 -8.656 3.982 1.00 0.00 C ATOM 330 O GLY A 25 -12.404 -9.371 3.988 1.00 0.00 O ATOM 0 H GLY A 25 -10.035 -5.875 3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.023 -6.984 5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.555 -6.893 4.442 1.00 0.00 H new ATOM 334 N ARG A 26 -10.182 -9.077 3.686 1.00 0.00 N ATOM 335 CA ARG A 26 -9.934 -10.466 3.336 1.00 0.00 C ATOM 336 C ARG A 26 -9.288 -11.202 4.511 1.00 0.00 C ATOM 337 O ARG A 26 -8.839 -10.577 5.471 1.00 0.00 O ATOM 338 CB ARG A 26 -9.020 -10.570 2.114 1.00 0.00 C ATOM 339 CG ARG A 26 -9.618 -9.830 0.916 1.00 0.00 C ATOM 340 CD ARG A 26 -10.140 -10.814 -0.133 1.00 0.00 C ATOM 341 NE ARG A 26 -11.616 -10.896 -0.061 1.00 0.00 N ATOM 342 CZ ARG A 26 -12.284 -11.705 0.773 1.00 0.00 C ATOM 343 NH1 ARG A 26 -11.611 -12.507 1.611 1.00 0.00 N ATOM 344 NH2 ARG A 26 -13.624 -11.714 0.769 1.00 0.00 N ATOM 0 H ARG A 26 -9.354 -8.481 3.681 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.894 -10.925 3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.041 -10.153 2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.867 -11.618 1.859 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.431 -9.186 1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.862 -9.184 0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.834 -10.493 -1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.704 -11.799 0.032 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.159 -10.299 -0.685 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.591 -12.501 1.614 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.119 -13.123 2.246 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.136 -11.105 0.131 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.132 -12.330 1.404 1.00 0.00 H new ATOM 355 N ALA A 27 -9.263 -12.523 4.399 1.00 0.00 N ATOM 356 CA ALA A 27 -8.679 -13.352 5.440 1.00 0.00 C ATOM 357 C ALA A 27 -7.244 -13.715 5.053 1.00 0.00 C ATOM 358 O ALA A 27 -6.660 -14.638 5.619 1.00 0.00 O ATOM 359 CB ALA A 27 -9.555 -14.587 5.659 1.00 0.00 C ATOM 0 H ALA A 27 -9.638 -13.039 3.603 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.637 -12.810 6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.118 -15.209 6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.555 -14.275 5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.618 -15.158 4.732 1.00 0.00 H new ATOM 365 N SER A 28 -6.719 -12.971 4.090 1.00 0.00 N ATOM 366 CA SER A 28 -5.363 -13.205 3.621 1.00 0.00 C ATOM 367 C SER A 28 -4.770 -11.906 3.071 1.00 0.00 C ATOM 368 O SER A 28 -5.471 -10.904 2.944 1.00 0.00 O ATOM 369 CB SER A 28 -5.331 -14.299 2.552 1.00 0.00 C ATOM 370 OG SER A 28 -4.481 -15.381 2.921 1.00 0.00 O ATOM 0 H SER A 28 -7.207 -12.207 3.622 1.00 0.00 H new ATOM 0 HA SER A 28 -4.762 -13.543 4.465 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.341 -14.672 2.385 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.988 -13.874 1.609 1.00 0.00 H new ATOM 0 HG SER A 28 -4.489 -16.059 2.214 1.00 0.00 H new ATOM 375 N VAL A 29 -3.484 -11.967 2.758 1.00 0.00 N ATOM 376 CA VAL A 29 -2.788 -10.808 2.224 1.00 0.00 C ATOM 377 C VAL A 29 -2.679 -10.941 0.703 1.00 0.00 C ATOM 378 O VAL A 29 -1.898 -11.748 0.202 1.00 0.00 O ATOM 379 CB VAL A 29 -1.429 -10.651 2.910 1.00 0.00 C ATOM 380 CG1 VAL A 29 -0.696 -9.411 2.396 1.00 0.00 C ATOM 381 CG2 VAL A 29 -1.585 -10.605 4.431 1.00 0.00 C ATOM 0 H VAL A 29 -2.906 -12.801 2.864 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.348 -9.896 2.432 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.825 -11.524 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.267 -9.323 2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.537 -9.502 1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.295 -8.524 2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.605 -10.493 4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.215 -9.759 4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.046 -11.530 4.778 1.00 0.00 H new ATOM 391 N VAL A 30 -3.473 -10.136 0.013 1.00 0.00 N ATOM 392 CA VAL A 30 -3.474 -10.153 -1.440 1.00 0.00 C ATOM 393 C VAL A 30 -2.507 -9.088 -1.960 1.00 0.00 C ATOM 394 O VAL A 30 -2.220 -8.114 -1.266 1.00 0.00 O ATOM 395 CB VAL A 30 -4.901 -9.973 -1.963 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.706 -11.265 -1.817 1.00 0.00 C ATOM 397 CG2 VAL A 30 -5.599 -8.807 -1.260 1.00 0.00 C ATOM 0 H VAL A 30 -4.120 -9.468 0.433 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.124 -11.116 -1.811 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.842 -9.736 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.716 -11.109 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.224 -12.060 -2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.753 -11.548 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.611 -8.700 -1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.641 -9.001 -0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.042 -7.887 -1.440 1.00 0.00 H new ATOM 407 N PRO A 31 -2.019 -9.314 -3.209 1.00 0.00 N ATOM 408 CA PRO A 31 -1.090 -8.385 -3.830 1.00 0.00 C ATOM 409 C PRO A 31 -1.813 -7.123 -4.304 1.00 0.00 C ATOM 410 O PRO A 31 -3.042 -7.086 -4.348 1.00 0.00 O ATOM 411 CB PRO A 31 -0.453 -9.167 -4.967 1.00 0.00 C ATOM 412 CG PRO A 31 -1.378 -10.344 -5.233 1.00 0.00 C ATOM 413 CD PRO A 31 -2.338 -10.457 -4.060 1.00 0.00 C ATOM 0 HA PRO A 31 -0.329 -8.024 -3.138 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.346 -8.546 -5.856 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.546 -9.509 -4.695 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.927 -10.195 -6.163 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.803 -11.263 -5.346 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.375 -10.426 -4.393 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.203 -11.398 -3.527 1.00 0.00 H new ATOM 418 N LEU A 32 -1.019 -6.118 -4.645 1.00 0.00 N ATOM 419 CA LEU A 32 -1.568 -4.857 -5.114 1.00 0.00 C ATOM 420 C LEU A 32 -1.187 -4.654 -6.581 1.00 0.00 C ATOM 421 O LEU A 32 -0.067 -4.248 -6.886 1.00 0.00 O ATOM 422 CB LEU A 32 -1.129 -3.710 -4.201 1.00 0.00 C ATOM 423 CG LEU A 32 -1.395 -2.296 -4.725 1.00 0.00 C ATOM 424 CD1 LEU A 32 -2.760 -2.215 -5.412 1.00 0.00 C ATOM 425 CD2 LEU A 32 -1.252 -1.262 -3.607 1.00 0.00 C ATOM 0 H LEU A 32 -0.000 -6.152 -4.606 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.657 -4.874 -5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.634 -3.822 -3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.060 -3.811 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.642 -2.062 -5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.925 -1.201 -5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.787 -2.910 -6.251 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.542 -2.477 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.446 -0.266 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.968 -1.482 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.240 -1.300 -3.203 1.00 0.00 H new ATOM 436 N PRO A 33 -2.167 -4.955 -7.476 1.00 0.00 N ATOM 437 CA PRO A 33 -1.947 -4.810 -8.905 1.00 0.00 C ATOM 438 C PRO A 33 -1.973 -3.337 -9.317 1.00 0.00 C ATOM 439 O PRO A 33 -2.940 -2.876 -9.923 1.00 0.00 O ATOM 440 CB PRO A 33 -3.048 -5.629 -9.558 1.00 0.00 C ATOM 441 CG PRO A 33 -4.114 -5.820 -8.491 1.00 0.00 C ATOM 442 CD PRO A 33 -3.507 -5.437 -7.151 1.00 0.00 C ATOM 0 HA PRO A 33 -0.965 -5.166 -9.218 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.454 -5.114 -10.428 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.667 -6.589 -9.906 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.985 -5.201 -8.706 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.455 -6.855 -8.473 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.096 -4.665 -6.655 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.468 -6.291 -6.475 1.00 0.00 H new ATOM 447 N TYR A 34 -0.901 -2.640 -8.973 1.00 0.00 N ATOM 448 CA TYR A 34 -0.790 -1.228 -9.300 1.00 0.00 C ATOM 449 C TYR A 34 -1.134 -0.976 -10.769 1.00 0.00 C ATOM 450 O TYR A 34 -1.969 -0.127 -11.078 1.00 0.00 O ATOM 451 CB TYR A 34 0.675 -0.854 -9.060 1.00 0.00 C ATOM 452 CG TYR A 34 1.145 -1.072 -7.621 1.00 0.00 C ATOM 453 CD1 TYR A 34 0.926 -0.097 -6.668 1.00 0.00 C ATOM 454 CD2 TYR A 34 1.788 -2.242 -7.274 1.00 0.00 C ATOM 455 CE1 TYR A 34 1.369 -0.302 -5.314 1.00 0.00 C ATOM 456 CE2 TYR A 34 2.231 -2.447 -5.920 1.00 0.00 C ATOM 457 CZ TYR A 34 2.000 -1.467 -5.006 1.00 0.00 C ATOM 458 OH TYR A 34 2.418 -1.661 -3.727 1.00 0.00 O ATOM 0 H TYR A 34 -0.101 -3.026 -8.471 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.477 -0.638 -8.693 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.304 -1.441 -9.730 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.820 0.194 -9.324 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.422 0.819 -6.939 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.959 -3.005 -8.019 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.204 0.453 -4.559 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.736 -3.359 -5.636 1.00 0.00 H new ATOM 0 HH TYR A 34 2.244 -0.853 -3.200 1.00 0.00 H new ATOM 467 N GLU A 35 -0.474 -1.730 -11.635 1.00 0.00 N ATOM 468 CA GLU A 35 -0.700 -1.600 -13.065 1.00 0.00 C ATOM 469 C GLU A 35 -2.186 -1.369 -13.348 1.00 0.00 C ATOM 470 O GLU A 35 -2.540 -0.706 -14.324 1.00 0.00 O ATOM 471 CB GLU A 35 -0.183 -2.829 -13.816 1.00 0.00 C ATOM 472 CG GLU A 35 -0.963 -4.083 -13.416 1.00 0.00 C ATOM 473 CD GLU A 35 -0.414 -5.321 -14.130 1.00 0.00 C ATOM 474 OE1 GLU A 35 -0.129 -5.197 -15.341 1.00 0.00 O ATOM 475 OE2 GLU A 35 -0.292 -6.361 -13.449 1.00 0.00 O ATOM 0 H GLU A 35 0.217 -2.433 -11.375 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.143 -0.735 -13.424 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.273 -2.668 -14.890 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.876 -2.971 -13.602 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.903 -4.224 -12.337 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.017 -3.954 -13.662 1.00 0.00 H new ATOM 480 N ARG A 36 -3.016 -1.926 -12.479 1.00 0.00 N ATOM 481 CA ARG A 36 -4.455 -1.788 -12.624 1.00 0.00 C ATOM 482 C ARG A 36 -4.964 -0.619 -11.778 1.00 0.00 C ATOM 483 O ARG A 36 -5.394 0.400 -12.316 1.00 0.00 O ATOM 484 CB ARG A 36 -5.176 -3.068 -12.198 1.00 0.00 C ATOM 485 CG ARG A 36 -5.361 -4.014 -13.386 1.00 0.00 C ATOM 486 CD ARG A 36 -6.754 -3.857 -14.000 1.00 0.00 C ATOM 487 NE ARG A 36 -7.275 -5.177 -14.419 1.00 0.00 N ATOM 488 CZ ARG A 36 -6.816 -5.866 -15.472 1.00 0.00 C ATOM 489 NH1 ARG A 36 -5.824 -5.364 -16.221 1.00 0.00 N ATOM 490 NH2 ARG A 36 -7.348 -7.057 -15.778 1.00 0.00 N ATOM 0 H ARG A 36 -2.719 -2.474 -11.672 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.666 -1.598 -13.676 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.605 -3.568 -11.416 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.148 -2.818 -11.773 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.602 -3.809 -14.141 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.217 -5.044 -13.061 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.430 -3.403 -13.276 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.709 -3.186 -14.858 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.031 -5.588 -13.872 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.419 -4.457 -15.989 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.475 -5.889 -17.023 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.103 -7.440 -15.209 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.998 -7.581 -16.580 1.00 0.00 H new ATOM 501 N LEU A 37 -4.898 -0.805 -10.468 1.00 0.00 N ATOM 502 CA LEU A 37 -5.346 0.223 -9.543 1.00 0.00 C ATOM 503 C LEU A 37 -4.880 1.591 -10.041 1.00 0.00 C ATOM 504 O LEU A 37 -5.551 2.598 -9.822 1.00 0.00 O ATOM 505 CB LEU A 37 -4.890 -0.103 -8.119 1.00 0.00 C ATOM 506 CG LEU A 37 -5.219 -1.508 -7.614 1.00 0.00 C ATOM 507 CD1 LEU A 37 -5.386 -1.518 -6.093 1.00 0.00 C ATOM 508 CD2 LEU A 37 -6.448 -2.074 -8.329 1.00 0.00 C ATOM 0 H LEU A 37 -4.541 -1.652 -10.025 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.435 0.253 -9.505 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.811 0.038 -8.063 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.341 0.620 -7.440 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.379 -2.162 -7.851 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.620 -2.529 -5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.460 -1.185 -5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.197 -0.847 -5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.660 -3.074 -7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.306 -1.427 -8.145 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.254 -2.124 -9.400 1.00 0.00 H new ATOM 519 N LEU A 38 -3.731 1.584 -10.703 1.00 0.00 N ATOM 520 CA LEU A 38 -3.166 2.813 -11.234 1.00 0.00 C ATOM 521 C LEU A 38 -4.077 3.352 -12.339 1.00 0.00 C ATOM 522 O LEU A 38 -4.467 4.518 -12.313 1.00 0.00 O ATOM 523 CB LEU A 38 -1.721 2.588 -11.684 1.00 0.00 C ATOM 524 CG LEU A 38 -0.708 2.316 -10.571 1.00 0.00 C ATOM 525 CD1 LEU A 38 0.615 1.804 -11.147 1.00 0.00 C ATOM 526 CD2 LEU A 38 -0.509 3.553 -9.694 1.00 0.00 C ATOM 0 H LEU A 38 -3.177 0.747 -10.883 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.119 3.577 -10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.704 1.747 -12.377 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.393 3.466 -12.240 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.108 1.529 -9.931 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.318 1.618 -10.335 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.439 0.878 -11.694 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.031 2.551 -11.823 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.216 3.331 -8.911 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.142 4.377 -10.305 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.459 3.833 -9.239 1.00 0.00 H new ATOM 537 N ARG A 39 -4.391 2.477 -13.283 1.00 0.00 N ATOM 538 CA ARG A 39 -5.249 2.851 -14.395 1.00 0.00 C ATOM 539 C ARG A 39 -6.473 3.614 -13.887 1.00 0.00 C ATOM 540 O ARG A 39 -6.886 4.604 -14.489 1.00 0.00 O ATOM 541 CB ARG A 39 -5.712 1.616 -15.171 1.00 0.00 C ATOM 542 CG ARG A 39 -6.568 2.016 -16.375 1.00 0.00 C ATOM 543 CD ARG A 39 -6.764 0.833 -17.326 1.00 0.00 C ATOM 544 NE ARG A 39 -7.808 1.152 -18.324 1.00 0.00 N ATOM 545 CZ ARG A 39 -7.970 0.494 -19.479 1.00 0.00 C ATOM 546 NH1 ARG A 39 -7.156 -0.525 -19.789 1.00 0.00 N ATOM 547 NH2 ARG A 39 -8.945 0.853 -20.325 1.00 0.00 N ATOM 0 H ARG A 39 -4.067 1.510 -13.301 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.670 3.490 -15.062 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.845 1.048 -15.509 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.285 0.962 -14.514 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.538 2.376 -16.032 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.092 2.840 -16.907 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.826 0.602 -17.831 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.049 -0.055 -16.761 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.445 1.922 -18.120 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.414 -0.799 -19.145 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.279 -1.027 -20.669 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.565 1.628 -20.090 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.067 0.351 -21.205 1.00 0.00 H new ATOM 558 N GLU A 40 -7.020 3.125 -12.784 1.00 0.00 N ATOM 559 CA GLU A 40 -8.190 3.750 -12.188 1.00 0.00 C ATOM 560 C GLU A 40 -7.888 4.180 -10.751 1.00 0.00 C ATOM 561 O GLU A 40 -7.831 3.347 -9.848 1.00 0.00 O ATOM 562 CB GLU A 40 -9.397 2.810 -12.236 1.00 0.00 C ATOM 563 CG GLU A 40 -8.953 1.346 -12.235 1.00 0.00 C ATOM 564 CD GLU A 40 -10.146 0.411 -12.446 1.00 0.00 C ATOM 565 OE1 GLU A 40 -11.263 0.822 -12.064 1.00 0.00 O ATOM 566 OE2 GLU A 40 -9.913 -0.693 -12.985 1.00 0.00 O ATOM 0 H GLU A 40 -6.675 2.304 -12.287 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.439 4.639 -12.768 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.043 2.998 -11.379 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.986 3.014 -13.130 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.217 1.185 -13.022 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.465 1.111 -11.289 1.00 0.00 H new ATOM 571 N PRO A 41 -7.695 5.515 -10.580 1.00 0.00 N ATOM 572 CA PRO A 41 -7.400 6.067 -9.269 1.00 0.00 C ATOM 573 C PRO A 41 -8.654 6.101 -8.393 1.00 0.00 C ATOM 574 O PRO A 41 -8.559 6.129 -7.167 1.00 0.00 O ATOM 575 CB PRO A 41 -6.830 7.450 -9.543 1.00 0.00 C ATOM 576 CG PRO A 41 -7.257 7.803 -10.958 1.00 0.00 C ATOM 577 CD PRO A 41 -7.754 6.532 -11.627 1.00 0.00 C ATOM 0 HA PRO A 41 -6.688 5.461 -8.709 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.211 8.178 -8.827 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.744 7.450 -9.451 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.043 8.558 -10.942 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.420 8.225 -11.515 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.769 6.654 -12.004 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.128 6.261 -12.478 1.00 0.00 H new ATOM 582 N GLY A 42 -9.801 6.095 -9.056 1.00 0.00 N ATOM 583 CA GLY A 42 -11.073 6.124 -8.354 1.00 0.00 C ATOM 584 C GLY A 42 -11.391 4.759 -7.741 1.00 0.00 C ATOM 585 O GLY A 42 -11.948 4.680 -6.647 1.00 0.00 O ATOM 0 H GLY A 42 -9.876 6.070 -10.073 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.043 6.881 -7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.867 6.411 -9.044 1.00 0.00 H new ATOM 589 N LEU A 43 -11.025 3.717 -8.473 1.00 0.00 N ATOM 590 CA LEU A 43 -11.266 2.359 -8.015 1.00 0.00 C ATOM 591 C LEU A 43 -10.679 2.188 -6.613 1.00 0.00 C ATOM 592 O LEU A 43 -11.299 1.571 -5.748 1.00 0.00 O ATOM 593 CB LEU A 43 -10.733 1.349 -9.034 1.00 0.00 C ATOM 594 CG LEU A 43 -11.253 -0.083 -8.892 1.00 0.00 C ATOM 595 CD1 LEU A 43 -12.699 -0.192 -9.381 1.00 0.00 C ATOM 596 CD2 LEU A 43 -10.332 -1.075 -9.605 1.00 0.00 C ATOM 0 H LEU A 43 -10.563 3.786 -9.380 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.336 2.165 -7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.979 1.707 -10.034 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.646 1.329 -8.962 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.249 -0.344 -7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.044 -1.220 -9.269 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.333 0.470 -8.792 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.751 0.096 -10.431 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.725 -2.085 -9.488 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.280 -0.826 -10.665 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.334 -1.022 -9.171 1.00 0.00 H new ATOM 607 N LEU A 44 -9.489 2.742 -6.432 1.00 0.00 N ATOM 608 CA LEU A 44 -8.812 2.658 -5.149 1.00 0.00 C ATOM 609 C LEU A 44 -7.824 3.820 -5.021 1.00 0.00 C ATOM 610 O LEU A 44 -6.840 3.887 -5.758 1.00 0.00 O ATOM 611 CB LEU A 44 -8.168 1.281 -4.973 1.00 0.00 C ATOM 612 CG LEU A 44 -7.159 1.154 -3.828 1.00 0.00 C ATOM 613 CD1 LEU A 44 -7.680 1.833 -2.561 1.00 0.00 C ATOM 614 CD2 LEU A 44 -6.790 -0.311 -3.584 1.00 0.00 C ATOM 0 H LEU A 44 -8.976 3.251 -7.152 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.528 2.757 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.960 0.549 -4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.667 1.014 -5.904 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.245 1.672 -4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.945 1.728 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.852 2.891 -2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.616 1.365 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.072 -0.374 -2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.687 -0.874 -3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.348 -0.730 -4.488 1.00 0.00 H new ATOM 625 N ALA A 45 -8.119 4.705 -4.082 1.00 0.00 N ATOM 626 CA ALA A 45 -7.270 5.861 -3.848 1.00 0.00 C ATOM 627 C ALA A 45 -6.428 5.624 -2.592 1.00 0.00 C ATOM 628 O ALA A 45 -6.963 5.285 -1.538 1.00 0.00 O ATOM 629 CB ALA A 45 -8.135 7.118 -3.742 1.00 0.00 C ATOM 0 H ALA A 45 -8.935 4.645 -3.473 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.584 6.008 -4.682 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.498 7.985 -3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.690 7.257 -4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.835 7.009 -2.914 1.00 0.00 H new ATOM 635 N VAL A 46 -5.126 5.813 -2.746 1.00 0.00 N ATOM 636 CA VAL A 46 -4.206 5.625 -1.638 1.00 0.00 C ATOM 637 C VAL A 46 -4.051 6.944 -0.879 1.00 0.00 C ATOM 638 O VAL A 46 -3.530 7.918 -1.421 1.00 0.00 O ATOM 639 CB VAL A 46 -2.875 5.071 -2.151 1.00 0.00 C ATOM 640 CG1 VAL A 46 -1.903 4.825 -0.996 1.00 0.00 C ATOM 641 CG2 VAL A 46 -3.091 3.795 -2.968 1.00 0.00 C ATOM 0 H VAL A 46 -4.686 6.095 -3.622 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.600 4.890 -0.936 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.431 5.818 -2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.965 4.431 -1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.713 5.763 -0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.337 4.105 -0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.130 3.422 -3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.567 3.039 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.731 4.014 -3.823 1.00 0.00 H new ATOM 651 N GLN A 47 -4.515 6.934 0.362 1.00 0.00 N ATOM 652 CA GLN A 47 -4.435 8.118 1.200 1.00 0.00 C ATOM 653 C GLN A 47 -3.424 7.901 2.329 1.00 0.00 C ATOM 654 O GLN A 47 -2.998 6.775 2.578 1.00 0.00 O ATOM 655 CB GLN A 47 -5.810 8.489 1.759 1.00 0.00 C ATOM 656 CG GLN A 47 -6.639 9.244 0.719 1.00 0.00 C ATOM 657 CD GLN A 47 -6.338 10.744 0.762 1.00 0.00 C ATOM 658 OE1 GLN A 47 -5.515 11.260 0.024 1.00 0.00 O ATOM 659 NE2 GLN A 47 -7.049 11.412 1.666 1.00 0.00 N ATOM 0 H GLN A 47 -4.948 6.125 0.807 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.093 8.951 0.586 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.338 7.586 2.064 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.690 9.105 2.650 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.423 8.854 -0.276 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.700 9.077 0.903 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.722 10.918 2.252 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.921 12.418 1.773 1.00 0.00 H new ATOM 666 N GLY A 48 -3.071 8.999 2.982 1.00 0.00 N ATOM 667 CA GLY A 48 -2.118 8.943 4.078 1.00 0.00 C ATOM 668 C GLY A 48 -0.727 8.554 3.576 1.00 0.00 C ATOM 669 O GLY A 48 0.051 7.942 4.306 1.00 0.00 O ATOM 0 H GLY A 48 -3.427 9.932 2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.071 9.913 4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.455 8.221 4.821 1.00 0.00 H new ATOM 673 N LEU A 49 -0.456 8.925 2.334 1.00 0.00 N ATOM 674 CA LEU A 49 0.828 8.622 1.726 1.00 0.00 C ATOM 675 C LEU A 49 1.898 9.543 2.317 1.00 0.00 C ATOM 676 O LEU A 49 1.576 10.535 2.969 1.00 0.00 O ATOM 677 CB LEU A 49 0.730 8.695 0.200 1.00 0.00 C ATOM 678 CG LEU A 49 0.352 7.393 -0.510 1.00 0.00 C ATOM 679 CD1 LEU A 49 -0.282 7.677 -1.873 1.00 0.00 C ATOM 680 CD2 LEU A 49 1.558 6.460 -0.622 1.00 0.00 C ATOM 0 H LEU A 49 -1.104 9.433 1.732 1.00 0.00 H new ATOM 0 HA LEU A 49 1.125 7.599 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.006 9.455 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.690 9.033 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.397 6.879 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.541 6.735 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.183 8.276 -1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.426 8.223 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.262 5.542 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.347 6.952 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.926 6.220 0.375 1.00 0.00 H new ATOM 691 N PRO A 50 3.182 9.172 2.061 1.00 0.00 N ATOM 692 CA PRO A 50 4.300 9.954 2.560 1.00 0.00 C ATOM 693 C PRO A 50 4.474 11.241 1.752 1.00 0.00 C ATOM 694 O PRO A 50 5.013 11.217 0.647 1.00 0.00 O ATOM 695 CB PRO A 50 5.500 9.028 2.467 1.00 0.00 C ATOM 696 CG PRO A 50 5.105 7.930 1.492 1.00 0.00 C ATOM 697 CD PRO A 50 3.600 8.005 1.292 1.00 0.00 C ATOM 0 HA PRO A 50 4.152 10.291 3.586 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.381 9.565 2.115 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.749 8.612 3.443 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.623 8.058 0.542 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.390 6.953 1.881 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.346 8.114 0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.108 7.100 1.647 1.00 0.00 H new ATOM 702 N GLU A 51 4.006 12.336 2.335 1.00 0.00 N ATOM 703 CA GLU A 51 4.104 13.631 1.682 1.00 0.00 C ATOM 704 C GLU A 51 5.362 13.695 0.814 1.00 0.00 C ATOM 705 O GLU A 51 6.389 13.112 1.160 1.00 0.00 O ATOM 706 CB GLU A 51 4.088 14.765 2.709 1.00 0.00 C ATOM 707 CG GLU A 51 5.429 14.863 3.437 1.00 0.00 C ATOM 708 CD GLU A 51 5.358 15.875 4.584 1.00 0.00 C ATOM 709 OE1 GLU A 51 4.458 15.705 5.434 1.00 0.00 O ATOM 710 OE2 GLU A 51 6.206 16.794 4.584 1.00 0.00 O ATOM 0 H GLU A 51 3.558 12.353 3.251 1.00 0.00 H new ATOM 0 HA GLU A 51 3.235 13.757 1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.871 15.709 2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.289 14.595 3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.707 13.884 3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.208 15.159 2.734 1.00 0.00 H new ATOM 715 N GLY A 52 5.240 14.407 -0.297 1.00 0.00 N ATOM 716 CA GLY A 52 6.355 14.555 -1.216 1.00 0.00 C ATOM 717 C GLY A 52 6.620 13.251 -1.971 1.00 0.00 C ATOM 718 O GLY A 52 7.767 12.829 -2.106 1.00 0.00 O ATOM 0 H GLY A 52 4.386 14.887 -0.581 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.142 15.354 -1.926 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.249 14.848 -0.665 1.00 0.00 H new ATOM 722 N LEU A 53 5.538 12.648 -2.445 1.00 0.00 N ATOM 723 CA LEU A 53 5.639 11.401 -3.182 1.00 0.00 C ATOM 724 C LEU A 53 4.405 11.239 -4.073 1.00 0.00 C ATOM 725 O LEU A 53 3.622 12.173 -4.229 1.00 0.00 O ATOM 726 CB LEU A 53 5.864 10.229 -2.225 1.00 0.00 C ATOM 727 CG LEU A 53 7.322 9.860 -1.946 1.00 0.00 C ATOM 728 CD1 LEU A 53 7.417 8.739 -0.910 1.00 0.00 C ATOM 729 CD2 LEU A 53 8.055 9.506 -3.243 1.00 0.00 C ATOM 0 H LEU A 53 4.588 13.001 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 53 6.508 11.417 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.381 10.463 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.360 9.352 -2.631 1.00 0.00 H new ATOM 0 HG LEU A 53 7.819 10.732 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.465 8.497 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.955 9.065 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.899 7.855 -1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.090 9.247 -3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.564 8.657 -3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.034 10.362 -3.918 1.00 0.00 H new ATOM 740 N ALA A 54 4.272 10.046 -4.633 1.00 0.00 N ATOM 741 CA ALA A 54 3.147 9.750 -5.504 1.00 0.00 C ATOM 742 C ALA A 54 2.858 8.248 -5.463 1.00 0.00 C ATOM 743 O ALA A 54 3.779 7.434 -5.493 1.00 0.00 O ATOM 744 CB ALA A 54 3.453 10.247 -6.919 1.00 0.00 C ATOM 0 H ALA A 54 4.924 9.273 -4.501 1.00 0.00 H new ATOM 0 HA ALA A 54 2.250 10.268 -5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.610 10.025 -7.573 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.623 11.324 -6.898 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.345 9.747 -7.295 1.00 0.00 H new ATOM 750 N PHE A 55 1.575 7.927 -5.397 1.00 0.00 N ATOM 751 CA PHE A 55 1.152 6.538 -5.352 1.00 0.00 C ATOM 752 C PHE A 55 1.640 5.775 -6.586 1.00 0.00 C ATOM 753 O PHE A 55 1.181 6.031 -7.699 1.00 0.00 O ATOM 754 CB PHE A 55 -0.378 6.535 -5.337 1.00 0.00 C ATOM 755 CG PHE A 55 -1.001 5.161 -5.592 1.00 0.00 C ATOM 756 CD1 PHE A 55 -0.562 4.076 -4.899 1.00 0.00 C ATOM 757 CD2 PHE A 55 -1.992 5.025 -6.514 1.00 0.00 C ATOM 758 CE1 PHE A 55 -1.141 2.801 -5.137 1.00 0.00 C ATOM 759 CE2 PHE A 55 -2.570 3.750 -6.751 1.00 0.00 C ATOM 760 CZ PHE A 55 -2.132 2.665 -6.058 1.00 0.00 C ATOM 0 H PHE A 55 0.814 8.605 -5.374 1.00 0.00 H new ATOM 0 HA PHE A 55 1.568 6.052 -4.470 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.722 6.905 -4.371 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.740 7.232 -6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.226 4.184 -4.168 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.339 5.886 -7.065 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.794 1.939 -4.586 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.358 3.642 -7.482 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.571 1.695 -6.239 1.00 0.00 H new ATOM 769 N ARG A 56 2.562 4.856 -6.349 1.00 0.00 N ATOM 770 CA ARG A 56 3.117 4.055 -7.427 1.00 0.00 C ATOM 771 C ARG A 56 3.843 2.833 -6.862 1.00 0.00 C ATOM 772 O ARG A 56 4.167 2.792 -5.676 1.00 0.00 O ATOM 773 CB ARG A 56 4.093 4.873 -8.274 1.00 0.00 C ATOM 774 CG ARG A 56 4.808 5.926 -7.424 1.00 0.00 C ATOM 775 CD ARG A 56 6.281 6.042 -7.820 1.00 0.00 C ATOM 776 NE ARG A 56 6.398 6.656 -9.161 1.00 0.00 N ATOM 777 CZ ARG A 56 7.564 6.930 -9.763 1.00 0.00 C ATOM 778 NH1 ARG A 56 8.720 6.645 -9.146 1.00 0.00 N ATOM 779 NH2 ARG A 56 7.575 7.488 -10.981 1.00 0.00 N ATOM 0 H ARG A 56 2.940 4.647 -5.425 1.00 0.00 H new ATOM 0 HA ARG A 56 2.290 3.730 -8.058 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.827 4.210 -8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.554 5.361 -9.086 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.318 6.892 -7.547 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.731 5.661 -6.370 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.817 6.645 -7.087 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.745 5.055 -7.821 1.00 0.00 H new ATOM 0 HE ARG A 56 5.538 6.885 -9.659 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.712 6.220 -8.219 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.607 6.853 -9.604 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.696 7.705 -11.451 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.463 7.696 -11.439 1.00 0.00 H new ATOM 790 N ARG A 57 4.076 1.866 -7.737 1.00 0.00 N ATOM 791 CA ARG A 57 4.758 0.646 -7.341 1.00 0.00 C ATOM 792 C ARG A 57 5.877 0.962 -6.346 1.00 0.00 C ATOM 793 O ARG A 57 6.477 2.035 -6.401 1.00 0.00 O ATOM 794 CB ARG A 57 5.352 -0.073 -8.554 1.00 0.00 C ATOM 795 CG ARG A 57 4.605 -1.378 -8.837 1.00 0.00 C ATOM 796 CD ARG A 57 4.864 -1.858 -10.267 1.00 0.00 C ATOM 797 NE ARG A 57 4.089 -3.091 -10.534 1.00 0.00 N ATOM 798 CZ ARG A 57 4.431 -4.306 -10.086 1.00 0.00 C ATOM 799 NH1 ARG A 57 5.537 -4.460 -9.345 1.00 0.00 N ATOM 800 NH2 ARG A 57 3.668 -5.368 -10.379 1.00 0.00 N ATOM 0 H ARG A 57 3.804 1.903 -8.719 1.00 0.00 H new ATOM 0 HA ARG A 57 4.022 -0.007 -6.871 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.300 0.577 -9.428 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.406 -0.284 -8.376 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.922 -2.144 -8.129 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.536 -1.229 -8.687 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.583 -1.080 -10.977 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.928 -2.049 -10.408 1.00 0.00 H new ATOM 0 HE ARG A 57 3.241 -3.010 -11.095 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.118 -3.652 -9.122 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.798 -5.385 -9.004 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.826 -5.251 -10.943 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.929 -6.293 -10.038 1.00 0.00 H new ATOM 811 N PRO A 58 6.131 -0.016 -5.437 1.00 0.00 N ATOM 812 CA PRO A 58 7.167 0.147 -4.431 1.00 0.00 C ATOM 813 C PRO A 58 8.558 -0.016 -5.046 1.00 0.00 C ATOM 814 O PRO A 58 9.549 0.441 -4.479 1.00 0.00 O ATOM 815 CB PRO A 58 6.858 -0.900 -3.374 1.00 0.00 C ATOM 816 CG PRO A 58 5.945 -1.913 -4.045 1.00 0.00 C ATOM 817 CD PRO A 58 5.441 -1.299 -5.341 1.00 0.00 C ATOM 0 HA PRO A 58 7.175 1.145 -3.993 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.771 -1.375 -3.016 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.372 -0.450 -2.508 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.484 -2.839 -4.245 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.110 -2.166 -3.392 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.669 -1.936 -6.196 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.359 -1.166 -5.322 1.00 0.00 H new ATOM 822 N ALA A 59 8.588 -0.668 -6.198 1.00 0.00 N ATOM 823 CA ALA A 59 9.841 -0.897 -6.898 1.00 0.00 C ATOM 824 C ALA A 59 10.156 0.312 -7.781 1.00 0.00 C ATOM 825 O ALA A 59 11.217 0.373 -8.402 1.00 0.00 O ATOM 826 CB ALA A 59 9.750 -2.197 -7.698 1.00 0.00 C ATOM 0 H ALA A 59 7.764 -1.046 -6.665 1.00 0.00 H new ATOM 0 HA ALA A 59 10.661 -1.009 -6.189 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.690 -2.368 -8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.556 -3.028 -7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.939 -2.123 -8.422 1.00 0.00 H new ATOM 832 N GLU A 60 9.214 1.243 -7.812 1.00 0.00 N ATOM 833 CA GLU A 60 9.377 2.447 -8.610 1.00 0.00 C ATOM 834 C GLU A 60 9.680 3.645 -7.707 1.00 0.00 C ATOM 835 O GLU A 60 10.010 4.726 -8.194 1.00 0.00 O ATOM 836 CB GLU A 60 8.138 2.707 -9.470 1.00 0.00 C ATOM 837 CG GLU A 60 7.953 1.602 -10.512 1.00 0.00 C ATOM 838 CD GLU A 60 7.844 2.189 -11.920 1.00 0.00 C ATOM 839 OE1 GLU A 60 6.800 2.819 -12.193 1.00 0.00 O ATOM 840 OE2 GLU A 60 8.808 1.994 -12.693 1.00 0.00 O ATOM 0 H GLU A 60 8.335 1.188 -7.297 1.00 0.00 H new ATOM 0 HA GLU A 60 10.222 2.302 -9.283 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.255 2.764 -8.834 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.233 3.671 -9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.794 0.910 -10.467 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.055 1.028 -10.283 1.00 0.00 H new ATOM 845 N TYR A 61 9.556 3.414 -6.409 1.00 0.00 N ATOM 846 CA TYR A 61 9.811 4.461 -5.435 1.00 0.00 C ATOM 847 C TYR A 61 11.313 4.634 -5.198 1.00 0.00 C ATOM 848 O TYR A 61 12.117 3.834 -5.674 1.00 0.00 O ATOM 849 CB TYR A 61 9.152 3.996 -4.134 1.00 0.00 C ATOM 850 CG TYR A 61 7.766 4.596 -3.890 1.00 0.00 C ATOM 851 CD1 TYR A 61 7.516 5.912 -4.223 1.00 0.00 C ATOM 852 CD2 TYR A 61 6.766 3.821 -3.339 1.00 0.00 C ATOM 853 CE1 TYR A 61 6.211 6.476 -3.993 1.00 0.00 C ATOM 854 CE2 TYR A 61 5.462 4.385 -3.109 1.00 0.00 C ATOM 855 CZ TYR A 61 5.248 5.685 -3.447 1.00 0.00 C ATOM 856 OH TYR A 61 4.016 6.218 -3.231 1.00 0.00 O ATOM 0 H TYR A 61 9.282 2.517 -6.009 1.00 0.00 H new ATOM 0 HA TYR A 61 9.418 5.416 -5.785 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.069 2.909 -4.149 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.801 4.254 -3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.298 6.518 -4.656 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.962 2.791 -3.080 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.001 7.504 -4.248 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.671 3.789 -2.678 1.00 0.00 H new ATOM 0 HH TYR A 61 3.576 6.384 -4.091 1.00 0.00 H new ATOM 865 N ASP A 62 11.646 5.685 -4.463 1.00 0.00 N ATOM 866 CA ASP A 62 13.037 5.974 -4.158 1.00 0.00 C ATOM 867 C ASP A 62 13.450 5.203 -2.902 1.00 0.00 C ATOM 868 O ASP A 62 12.647 4.468 -2.329 1.00 0.00 O ATOM 869 CB ASP A 62 13.243 7.465 -3.885 1.00 0.00 C ATOM 870 CG ASP A 62 12.062 8.361 -4.264 1.00 0.00 C ATOM 871 OD1 ASP A 62 11.769 8.431 -5.478 1.00 0.00 O ATOM 872 OD2 ASP A 62 11.479 8.957 -3.333 1.00 0.00 O ATOM 0 H ASP A 62 10.977 6.347 -4.070 1.00 0.00 H new ATOM 0 HA ASP A 62 13.639 5.678 -5.017 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.455 7.599 -2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.124 7.801 -4.431 1.00 0.00 H new ATOM 876 N PRO A 63 14.734 5.403 -2.501 1.00 0.00 N ATOM 877 CA PRO A 63 15.263 4.734 -1.324 1.00 0.00 C ATOM 878 C PRO A 63 14.727 5.375 -0.042 1.00 0.00 C ATOM 879 O PRO A 63 14.205 4.683 0.830 1.00 0.00 O ATOM 880 CB PRO A 63 16.773 4.843 -1.457 1.00 0.00 C ATOM 881 CG PRO A 63 17.026 5.963 -2.452 1.00 0.00 C ATOM 882 CD PRO A 63 15.712 6.266 -3.156 1.00 0.00 C ATOM 0 HA PRO A 63 14.956 3.690 -1.259 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.234 5.064 -0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.203 3.905 -1.808 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.399 6.851 -1.941 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.787 5.667 -3.174 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.442 7.317 -3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.776 6.053 -4.223 1.00 0.00 H new ATOM 887 N LYS A 64 14.875 6.690 0.030 1.00 0.00 N ATOM 888 CA LYS A 64 14.412 7.433 1.190 1.00 0.00 C ATOM 889 C LYS A 64 12.884 7.371 1.254 1.00 0.00 C ATOM 890 O LYS A 64 12.297 7.530 2.323 1.00 0.00 O ATOM 891 CB LYS A 64 14.971 8.857 1.173 1.00 0.00 C ATOM 892 CG LYS A 64 16.383 8.899 1.760 1.00 0.00 C ATOM 893 CD LYS A 64 17.412 8.389 0.749 1.00 0.00 C ATOM 894 CE LYS A 64 18.813 8.904 1.087 1.00 0.00 C ATOM 895 NZ LYS A 64 18.923 10.347 0.775 1.00 0.00 N ATOM 0 H LYS A 64 15.309 7.260 -0.696 1.00 0.00 H new ATOM 0 HA LYS A 64 14.788 6.980 2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.987 9.233 0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.316 9.515 1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.629 9.920 2.052 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.423 8.291 2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.413 7.299 0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.134 8.713 -0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.023 8.737 2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.559 8.345 0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 19.925 10.603 0.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.414 10.551 -0.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 18.508 10.902 1.550 1.00 0.00 H new ATOM 905 N ALA A 65 12.285 7.141 0.095 1.00 0.00 N ATOM 906 CA ALA A 65 10.837 7.057 0.005 1.00 0.00 C ATOM 907 C ALA A 65 10.351 5.846 0.803 1.00 0.00 C ATOM 908 O ALA A 65 9.578 5.992 1.751 1.00 0.00 O ATOM 909 CB ALA A 65 10.420 6.992 -1.466 1.00 0.00 C ATOM 0 H ALA A 65 12.776 7.010 -0.790 1.00 0.00 H new ATOM 0 HA ALA A 65 10.373 7.944 0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.334 6.929 -1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.764 7.888 -1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.864 6.112 -1.932 1.00 0.00 H new ATOM 915 N LEU A 66 10.821 4.678 0.392 1.00 0.00 N ATOM 916 CA LEU A 66 10.443 3.443 1.058 1.00 0.00 C ATOM 917 C LEU A 66 10.560 3.628 2.572 1.00 0.00 C ATOM 918 O LEU A 66 9.630 3.314 3.313 1.00 0.00 O ATOM 919 CB LEU A 66 11.263 2.270 0.517 1.00 0.00 C ATOM 920 CG LEU A 66 11.147 2.008 -0.987 1.00 0.00 C ATOM 921 CD1 LEU A 66 12.189 0.986 -1.448 1.00 0.00 C ATOM 922 CD2 LEU A 66 9.725 1.585 -1.361 1.00 0.00 C ATOM 0 H LEU A 66 11.460 4.560 -0.394 1.00 0.00 H new ATOM 0 HA LEU A 66 9.402 3.199 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.312 2.445 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.962 1.367 1.047 1.00 0.00 H new ATOM 0 HG LEU A 66 11.355 2.940 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.085 0.818 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.189 1.365 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.037 0.046 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.669 1.405 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.464 0.672 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.027 2.376 -1.089 1.00 0.00 H new ATOM 933 N MET A 67 11.712 4.137 2.986 1.00 0.00 N ATOM 934 CA MET A 67 11.963 4.368 4.399 1.00 0.00 C ATOM 935 C MET A 67 10.886 5.269 5.007 1.00 0.00 C ATOM 936 O MET A 67 10.427 5.028 6.122 1.00 0.00 O ATOM 937 CB MET A 67 13.335 5.021 4.574 1.00 0.00 C ATOM 938 CG MET A 67 14.441 3.966 4.629 1.00 0.00 C ATOM 939 SD MET A 67 16.039 4.751 4.507 1.00 0.00 S ATOM 940 CE MET A 67 16.355 4.542 2.762 1.00 0.00 C ATOM 0 H MET A 67 12.481 4.396 2.368 1.00 0.00 H new ATOM 0 HA MET A 67 11.940 3.408 4.915 1.00 0.00 H new ATOM 0 HB2 MET A 67 13.523 5.707 3.748 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.346 5.613 5.489 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.373 3.404 5.560 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.314 3.252 3.816 1.00 0.00 H new ATOM 0 HE1 MET A 67 17.215 3.886 2.624 1.00 0.00 H new ATOM 0 HE2 MET A 67 15.481 4.100 2.284 1.00 0.00 H new ATOM 0 HE3 MET A 67 16.563 5.512 2.311 1.00 0.00 H new ATOM 948 N ALA A 68 10.515 6.289 4.247 1.00 0.00 N ATOM 949 CA ALA A 68 9.501 7.227 4.697 1.00 0.00 C ATOM 950 C ALA A 68 8.140 6.530 4.719 1.00 0.00 C ATOM 951 O ALA A 68 7.374 6.684 5.668 1.00 0.00 O ATOM 952 CB ALA A 68 9.511 8.461 3.792 1.00 0.00 C ATOM 0 H ALA A 68 10.899 6.486 3.323 1.00 0.00 H new ATOM 0 HA ALA A 68 9.713 7.565 5.711 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.750 9.165 4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.491 8.936 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.299 8.161 2.766 1.00 0.00 H new ATOM 958 N ILE A 69 7.880 5.778 3.659 1.00 0.00 N ATOM 959 CA ILE A 69 6.624 5.056 3.544 1.00 0.00 C ATOM 960 C ILE A 69 6.393 4.237 4.816 1.00 0.00 C ATOM 961 O ILE A 69 5.303 4.263 5.386 1.00 0.00 O ATOM 962 CB ILE A 69 6.602 4.221 2.262 1.00 0.00 C ATOM 963 CG1 ILE A 69 6.657 5.117 1.023 1.00 0.00 C ATOM 964 CG2 ILE A 69 5.391 3.285 2.239 1.00 0.00 C ATOM 965 CD1 ILE A 69 7.371 4.410 -0.132 1.00 0.00 C ATOM 0 H ILE A 69 8.517 5.653 2.873 1.00 0.00 H new ATOM 0 HA ILE A 69 5.790 5.753 3.458 1.00 0.00 H new ATOM 0 HB ILE A 69 7.494 3.595 2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.646 5.387 0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.176 6.045 1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.399 2.703 1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.436 2.611 3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.475 3.874 2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.397 5.068 -1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.390 4.163 0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.835 3.495 -0.385 1.00 0.00 H new ATOM 976 N LEU A 70 7.437 3.530 5.224 1.00 0.00 N ATOM 977 CA LEU A 70 7.361 2.705 6.418 1.00 0.00 C ATOM 978 C LEU A 70 7.076 3.594 7.630 1.00 0.00 C ATOM 979 O LEU A 70 6.518 3.133 8.625 1.00 0.00 O ATOM 980 CB LEU A 70 8.626 1.856 6.563 1.00 0.00 C ATOM 981 CG LEU A 70 9.094 1.130 5.300 1.00 0.00 C ATOM 982 CD1 LEU A 70 10.615 1.216 5.151 1.00 0.00 C ATOM 983 CD2 LEU A 70 8.597 -0.317 5.281 1.00 0.00 C ATOM 0 H LEU A 70 8.340 3.511 4.749 1.00 0.00 H new ATOM 0 HA LEU A 70 6.536 1.997 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.434 2.500 6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.454 1.114 7.343 1.00 0.00 H new ATOM 0 HG LEU A 70 8.656 1.631 4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.922 0.692 4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.916 2.262 5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.092 0.755 6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.944 -0.809 4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.985 -0.846 6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.507 -0.328 5.306 1.00 0.00 H new ATOM 994 N GLU A 71 7.469 4.853 7.505 1.00 0.00 N ATOM 995 CA GLU A 71 7.262 5.811 8.578 1.00 0.00 C ATOM 996 C GLU A 71 5.870 6.435 8.471 1.00 0.00 C ATOM 997 O GLU A 71 5.124 6.470 9.449 1.00 0.00 O ATOM 998 CB GLU A 71 8.349 6.888 8.568 1.00 0.00 C ATOM 999 CG GLU A 71 9.546 6.468 9.423 1.00 0.00 C ATOM 1000 CD GLU A 71 9.991 7.609 10.341 1.00 0.00 C ATOM 1001 OE1 GLU A 71 9.298 7.821 11.360 1.00 0.00 O ATOM 1002 OE2 GLU A 71 11.014 8.242 10.003 1.00 0.00 O ATOM 0 H GLU A 71 7.929 5.232 6.677 1.00 0.00 H new ATOM 0 HA GLU A 71 7.329 5.283 9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.675 7.071 7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.940 7.826 8.944 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.282 5.596 10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.373 6.172 8.777 1.00 0.00 H new ATOM 1007 N HIS A 72 5.561 6.913 7.275 1.00 0.00 N ATOM 1008 CA HIS A 72 4.270 7.533 7.027 1.00 0.00 C ATOM 1009 C HIS A 72 3.181 6.460 6.996 1.00 0.00 C ATOM 1010 O HIS A 72 1.993 6.776 6.990 1.00 0.00 O ATOM 1011 CB HIS A 72 4.309 8.376 5.751 1.00 0.00 C ATOM 1012 CG HIS A 72 5.327 9.492 5.783 1.00 0.00 C ATOM 1013 ND1 HIS A 72 6.624 9.526 5.363 1.00 0.00 N flip ATOM 1014 CD2 HIS A 72 5.047 10.748 6.292 1.00 0.00 C flip ATOM 1015 CE1 HIS A 72 7.111 10.738 5.602 1.00 0.00 C flip ATOM 1016 NE2 HIS A 72 6.135 11.497 6.178 1.00 0.00 N flip ATOM 0 H HIS A 72 6.182 6.884 6.467 1.00 0.00 H new ATOM 0 HA HIS A 72 4.031 8.219 7.840 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.525 7.725 4.904 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.321 8.804 5.580 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.103 11.064 6.711 1.00 0.00 H new ATOM 0 HE1 HIS A 72 8.114 11.068 5.377 1.00 0.00 H new ATOM 0 HE2 HIS A 72 6.226 12.470 6.470 1.00 0.00 H new ATOM 1023 N SER A 73 3.626 5.211 6.974 1.00 0.00 N ATOM 1024 CA SER A 73 2.704 4.089 6.944 1.00 0.00 C ATOM 1025 C SER A 73 1.718 4.189 8.109 1.00 0.00 C ATOM 1026 O SER A 73 0.693 3.511 8.119 1.00 0.00 O ATOM 1027 CB SER A 73 3.456 2.757 6.997 1.00 0.00 C ATOM 1028 OG SER A 73 3.173 2.031 8.190 1.00 0.00 O ATOM 0 H SER A 73 4.613 4.952 6.976 1.00 0.00 H new ATOM 0 HA SER A 73 2.151 4.126 6.005 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.184 2.153 6.132 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.528 2.943 6.932 1.00 0.00 H new ATOM 0 HG SER A 73 3.670 1.187 8.185 1.00 0.00 H new ATOM 1033 N HIS A 74 2.064 5.041 9.064 1.00 0.00 N ATOM 1034 CA HIS A 74 1.223 5.238 10.231 1.00 0.00 C ATOM 1035 C HIS A 74 -0.072 5.940 9.818 1.00 0.00 C ATOM 1036 O HIS A 74 -1.076 5.866 10.525 1.00 0.00 O ATOM 1037 CB HIS A 74 1.981 5.990 11.327 1.00 0.00 C ATOM 1038 CG HIS A 74 1.774 7.485 11.301 1.00 0.00 C ATOM 1039 ND1 HIS A 74 0.687 8.101 11.896 1.00 0.00 N ATOM 1040 CD2 HIS A 74 2.526 8.479 10.748 1.00 0.00 C ATOM 1041 CE1 HIS A 74 0.790 9.409 11.702 1.00 0.00 C ATOM 1042 NE2 HIS A 74 1.929 9.641 10.990 1.00 0.00 N ATOM 0 H HIS A 74 2.916 5.602 9.052 1.00 0.00 H new ATOM 0 HA HIS A 74 0.952 4.271 10.655 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.669 5.607 12.299 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.046 5.779 11.228 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.450 8.345 10.205 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.094 10.159 12.048 1.00 0.00 H new ATOM 0 HE2 HIS A 74 2.267 10.556 10.692 1.00 0.00 H new ATOM 1049 N ARG A 75 -0.008 6.604 8.673 1.00 0.00 N ATOM 1050 CA ARG A 75 -1.163 7.319 8.158 1.00 0.00 C ATOM 1051 C ARG A 75 -1.658 6.665 6.865 1.00 0.00 C ATOM 1052 O ARG A 75 -2.843 6.739 6.542 1.00 0.00 O ATOM 1053 CB ARG A 75 -0.826 8.786 7.882 1.00 0.00 C ATOM 1054 CG ARG A 75 0.601 8.928 7.347 1.00 0.00 C ATOM 1055 CD ARG A 75 0.947 10.397 7.094 1.00 0.00 C ATOM 1056 NE ARG A 75 0.514 10.792 5.734 1.00 0.00 N ATOM 1057 CZ ARG A 75 0.420 12.061 5.315 1.00 0.00 C ATOM 1058 NH1 ARG A 75 0.728 13.066 6.145 1.00 0.00 N ATOM 1059 NH2 ARG A 75 0.018 12.324 4.064 1.00 0.00 N ATOM 0 H ARG A 75 0.825 6.662 8.088 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.945 7.275 8.916 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.532 9.196 7.159 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.935 9.367 8.798 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.305 8.502 8.062 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.705 8.361 6.422 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.459 11.027 7.837 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.021 10.550 7.202 1.00 0.00 H new ATOM 0 HE ARG A 75 0.272 10.052 5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.034 12.866 7.097 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.656 14.032 5.825 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.216 11.558 3.432 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.054 13.290 3.744 1.00 0.00 H new ATOM 1070 N ILE A 76 -0.725 6.041 6.161 1.00 0.00 N ATOM 1071 CA ILE A 76 -1.051 5.374 4.912 1.00 0.00 C ATOM 1072 C ILE A 76 -2.355 4.591 5.082 1.00 0.00 C ATOM 1073 O ILE A 76 -2.419 3.647 5.867 1.00 0.00 O ATOM 1074 CB ILE A 76 0.123 4.516 4.439 1.00 0.00 C ATOM 1075 CG1 ILE A 76 1.341 5.384 4.116 1.00 0.00 C ATOM 1076 CG2 ILE A 76 -0.282 3.635 3.257 1.00 0.00 C ATOM 1077 CD1 ILE A 76 2.450 4.554 3.467 1.00 0.00 C ATOM 0 H ILE A 76 0.257 5.983 6.432 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.218 6.107 4.122 1.00 0.00 H new ATOM 0 HB ILE A 76 0.409 3.850 5.253 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.048 6.193 3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.715 5.846 5.030 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.572 3.035 2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.097 2.976 3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.610 4.264 2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.304 5.195 3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.757 3.761 4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.080 4.113 2.541 1.00 0.00 H new ATOM 1088 N ARG A 77 -3.364 5.014 4.334 1.00 0.00 N ATOM 1089 CA ARG A 77 -4.662 4.364 4.392 1.00 0.00 C ATOM 1090 C ARG A 77 -5.240 4.206 2.983 1.00 0.00 C ATOM 1091 O ARG A 77 -5.170 5.128 2.172 1.00 0.00 O ATOM 1092 CB ARG A 77 -5.642 5.167 5.250 1.00 0.00 C ATOM 1093 CG ARG A 77 -5.772 4.559 6.648 1.00 0.00 C ATOM 1094 CD ARG A 77 -7.105 3.827 6.806 1.00 0.00 C ATOM 1095 NE ARG A 77 -7.583 3.942 8.202 1.00 0.00 N ATOM 1096 CZ ARG A 77 -8.681 3.336 8.673 1.00 0.00 C ATOM 1097 NH1 ARG A 77 -9.421 2.566 7.862 1.00 0.00 N ATOM 1098 NH2 ARG A 77 -9.040 3.497 9.954 1.00 0.00 N ATOM 0 H ARG A 77 -3.309 5.799 3.685 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.521 3.382 4.843 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.301 6.199 5.329 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.619 5.190 4.767 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.949 3.866 6.825 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.694 5.345 7.399 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.844 4.248 6.124 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.987 2.777 6.539 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.042 4.519 8.846 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.148 2.442 6.887 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.257 2.104 8.220 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.477 4.082 10.572 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.876 3.035 10.311 1.00 0.00 H new ATOM 1109 N PHE A 78 -5.798 3.029 2.736 1.00 0.00 N ATOM 1110 CA PHE A 78 -6.387 2.738 1.440 1.00 0.00 C ATOM 1111 C PHE A 78 -7.873 3.102 1.420 1.00 0.00 C ATOM 1112 O PHE A 78 -8.544 3.045 2.449 1.00 0.00 O ATOM 1113 CB PHE A 78 -6.239 1.233 1.210 1.00 0.00 C ATOM 1114 CG PHE A 78 -4.850 0.811 0.726 1.00 0.00 C ATOM 1115 CD1 PHE A 78 -3.743 1.199 1.416 1.00 0.00 C ATOM 1116 CD2 PHE A 78 -4.721 0.050 -0.393 1.00 0.00 C ATOM 1117 CE1 PHE A 78 -2.454 0.807 0.966 1.00 0.00 C ATOM 1118 CE2 PHE A 78 -3.432 -0.341 -0.842 1.00 0.00 C ATOM 1119 CZ PHE A 78 -2.326 0.045 -0.153 1.00 0.00 C ATOM 0 H PHE A 78 -5.854 2.267 3.411 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.888 3.319 0.665 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.463 0.710 2.140 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.980 0.913 0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.844 1.804 2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.600 -0.257 -0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.575 1.114 1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.330 -0.945 -1.731 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.346 -0.253 -0.494 1.00 0.00 H new ATOM 1128 N LYS A 79 -8.343 3.468 0.236 1.00 0.00 N ATOM 1129 CA LYS A 79 -9.738 3.840 0.068 1.00 0.00 C ATOM 1130 C LYS A 79 -10.293 3.168 -1.191 1.00 0.00 C ATOM 1131 O LYS A 79 -9.815 3.422 -2.296 1.00 0.00 O ATOM 1132 CB LYS A 79 -9.890 5.362 0.070 1.00 0.00 C ATOM 1133 CG LYS A 79 -10.104 5.890 1.490 1.00 0.00 C ATOM 1134 CD LYS A 79 -11.592 5.929 1.842 1.00 0.00 C ATOM 1135 CE LYS A 79 -12.232 7.237 1.372 1.00 0.00 C ATOM 1136 NZ LYS A 79 -13.707 7.117 1.358 1.00 0.00 N ATOM 0 H LYS A 79 -7.783 3.515 -0.615 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.332 3.482 0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.000 5.820 -0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.733 5.648 -0.559 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.575 5.256 2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.680 6.890 1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.101 5.084 1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.717 5.825 2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.934 8.052 2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.872 7.487 0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.125 8.013 1.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.987 6.353 0.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.047 6.901 2.317 1.00 0.00 H new ATOM 1146 N LEU A 80 -11.292 2.324 -0.980 1.00 0.00 N ATOM 1147 CA LEU A 80 -11.916 1.615 -2.084 1.00 0.00 C ATOM 1148 C LEU A 80 -13.121 2.416 -2.584 1.00 0.00 C ATOM 1149 O LEU A 80 -13.756 3.134 -1.813 1.00 0.00 O ATOM 1150 CB LEU A 80 -12.260 0.181 -1.673 1.00 0.00 C ATOM 1151 CG LEU A 80 -11.108 -0.826 -1.726 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -11.587 -2.226 -1.340 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -10.429 -0.810 -3.098 1.00 0.00 C ATOM 0 H LEU A 80 -11.684 2.115 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.222 1.526 -2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.654 0.200 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.061 -0.179 -2.319 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.359 -0.528 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.750 -2.922 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.988 -2.207 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.365 -2.548 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.614 -1.534 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.156 -1.070 -3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.032 0.186 -3.296 1.00 0.00 H new ATOM 1164 N LYS A 81 -13.398 2.265 -3.870 1.00 0.00 N ATOM 1165 CA LYS A 81 -14.514 2.965 -4.482 1.00 0.00 C ATOM 1166 C LYS A 81 -15.781 2.715 -3.660 1.00 0.00 C ATOM 1167 O LYS A 81 -16.375 3.650 -3.128 1.00 0.00 O ATOM 1168 CB LYS A 81 -14.650 2.574 -5.955 1.00 0.00 C ATOM 1169 CG LYS A 81 -14.978 3.795 -6.818 1.00 0.00 C ATOM 1170 CD LYS A 81 -15.265 3.382 -8.264 1.00 0.00 C ATOM 1171 CE LYS A 81 -14.958 4.527 -9.231 1.00 0.00 C ATOM 1172 NZ LYS A 81 -16.210 5.088 -9.784 1.00 0.00 N ATOM 0 H LYS A 81 -12.869 1.668 -4.506 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.337 4.041 -4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.722 2.118 -6.301 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.434 1.825 -6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.843 4.315 -6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.144 4.496 -6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.664 2.511 -8.524 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -16.310 3.089 -8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.400 5.308 -8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.325 4.166 -10.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.983 5.864 -10.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.728 4.345 -10.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.800 5.450 -9.008 1.00 0.00 H new