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 156:sc= -0.165 (180deg=-0.516) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.134 USER MOD Single : A 21 SER OG : rot -113:sc= 0.237 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -36:sc= 1.04 USER MOD Single : A 47 GLN : amide:sc= -0.96 X(o=-0.96,f=-1!) USER MOD Single : A 61 TYR OH : rot 93:sc= 0.36 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -132:sc= -3.95! (180deg=-7.59!) USER MOD Single : A 72 HIS : no HD1:sc= -5.13! C(o=-5.1!,f=-5.1!) USER MOD Single : A 73 SER OG : rot -98:sc= 0.0107 USER MOD Single : A 74 HIS : no HE2:sc= 0.565 K(o=0.57,f=-6.8!) 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 13.792 -3.069 2.345 1.00 0.00 N ATOM 63 CA LEU A 8 12.973 -1.868 2.351 1.00 0.00 C ATOM 64 C LEU A 8 11.822 -2.037 1.357 1.00 0.00 C ATOM 65 O LEU A 8 10.655 -2.017 1.745 1.00 0.00 O ATOM 66 CB LEU A 8 13.834 -0.630 2.089 1.00 0.00 C ATOM 67 CG LEU A 8 14.286 0.147 3.328 1.00 0.00 C ATOM 68 CD1 LEU A 8 15.079 1.394 2.934 1.00 0.00 C ATOM 69 CD2 LEU A 8 13.095 0.484 4.227 1.00 0.00 C ATOM 0 HA LEU A 8 12.528 -1.716 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.720 -0.939 1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.275 0.047 1.444 1.00 0.00 H new ATOM 0 HG LEU A 8 14.956 -0.490 3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.388 1.928 3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.961 1.100 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.454 2.045 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.443 1.036 5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.382 1.094 3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.610 -0.438 4.550 1.00 0.00 H new ATOM 80 N ARG A 9 12.191 -2.199 0.094 1.00 0.00 N ATOM 81 CA ARG A 9 11.202 -2.370 -0.957 1.00 0.00 C ATOM 82 C ARG A 9 10.331 -3.595 -0.671 1.00 0.00 C ATOM 83 O ARG A 9 9.186 -3.664 -1.116 1.00 0.00 O ATOM 84 CB ARG A 9 11.874 -2.539 -2.321 1.00 0.00 C ATOM 85 CG ARG A 9 10.849 -2.443 -3.453 1.00 0.00 C ATOM 86 CD ARG A 9 10.750 -3.766 -4.216 1.00 0.00 C ATOM 87 NE ARG A 9 12.074 -4.134 -4.765 1.00 0.00 N ATOM 88 CZ ARG A 9 12.375 -5.345 -5.253 1.00 0.00 C ATOM 89 NH1 ARG A 9 11.448 -6.313 -5.262 1.00 0.00 N ATOM 90 NH2 ARG A 9 13.602 -5.589 -5.733 1.00 0.00 N ATOM 0 H ARG A 9 13.160 -2.215 -0.224 1.00 0.00 H new ATOM 0 HA ARG A 9 10.581 -1.475 -0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.638 -1.773 -2.451 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.380 -3.504 -2.364 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.873 -2.181 -3.044 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.132 -1.644 -4.138 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.391 -4.552 -3.552 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.024 -3.676 -5.024 1.00 0.00 H new ATOM 0 HE ARG A 9 12.803 -3.421 -4.772 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.514 -6.128 -4.897 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.677 -7.235 -5.633 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.308 -4.853 -5.727 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.830 -6.511 -6.104 1.00 0.00 H new ATOM 101 N LYS A 10 10.906 -4.532 0.069 1.00 0.00 N ATOM 102 CA LYS A 10 10.196 -5.750 0.419 1.00 0.00 C ATOM 103 C LYS A 10 9.219 -5.455 1.559 1.00 0.00 C ATOM 104 O LYS A 10 8.153 -6.063 1.641 1.00 0.00 O ATOM 105 CB LYS A 10 11.184 -6.876 0.732 1.00 0.00 C ATOM 106 CG LYS A 10 10.499 -8.008 1.499 1.00 0.00 C ATOM 107 CD LYS A 10 9.256 -8.503 0.756 1.00 0.00 C ATOM 108 CE LYS A 10 8.063 -8.626 1.705 1.00 0.00 C ATOM 109 NZ LYS A 10 7.693 -10.047 1.890 1.00 0.00 N ATOM 0 H LYS A 10 11.856 -4.472 0.436 1.00 0.00 H new ATOM 0 HA LYS A 10 9.605 -6.102 -0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.605 -7.263 -0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.014 -6.484 1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.198 -8.833 1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.218 -7.660 2.493 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.013 -7.814 -0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.463 -9.471 0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.310 -8.180 2.668 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.214 -8.072 1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.881 -10.113 2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.438 -10.462 0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.499 -10.566 2.292 1.00 0.00 H new ATOM 119 N MET A 11 9.618 -4.524 2.413 1.00 0.00 N ATOM 120 CA MET A 11 8.792 -4.142 3.545 1.00 0.00 C ATOM 121 C MET A 11 7.503 -3.461 3.078 1.00 0.00 C ATOM 122 O MET A 11 6.407 -3.953 3.340 1.00 0.00 O ATOM 123 CB MET A 11 9.574 -3.188 4.450 1.00 0.00 C ATOM 124 CG MET A 11 10.205 -3.939 5.624 1.00 0.00 C ATOM 125 SD MET A 11 10.022 -2.991 7.125 1.00 0.00 S ATOM 126 CE MET A 11 11.549 -2.069 7.097 1.00 0.00 C ATOM 0 H MET A 11 10.504 -4.023 2.343 1.00 0.00 H new ATOM 0 HA MET A 11 8.526 -5.044 4.097 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.352 -2.689 3.872 1.00 0.00 H new ATOM 0 HB3 MET A 11 8.909 -2.411 4.826 1.00 0.00 H new ATOM 0 HG2 MET A 11 9.731 -4.914 5.740 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.261 -4.120 5.425 1.00 0.00 H new ATOM 0 HE1 MET A 11 11.433 -1.155 7.680 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.347 -2.674 7.526 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.801 -1.813 6.068 1.00 0.00 H new ATOM 134 N VAL A 12 7.678 -2.339 2.394 1.00 0.00 N ATOM 135 CA VAL A 12 6.543 -1.586 1.889 1.00 0.00 C ATOM 136 C VAL A 12 5.696 -2.490 0.992 1.00 0.00 C ATOM 137 O VAL A 12 4.480 -2.327 0.913 1.00 0.00 O ATOM 138 CB VAL A 12 7.029 -0.322 1.176 1.00 0.00 C ATOM 139 CG1 VAL A 12 8.310 -0.597 0.385 1.00 0.00 C ATOM 140 CG2 VAL A 12 5.938 0.252 0.272 1.00 0.00 C ATOM 0 H VAL A 12 8.589 -1.934 2.178 1.00 0.00 H new ATOM 0 HA VAL A 12 5.908 -1.255 2.711 1.00 0.00 H new ATOM 0 HB VAL A 12 7.259 0.424 1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.634 0.317 -0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.091 -0.937 1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.118 -1.367 -0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.310 1.149 -0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.661 -0.488 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.064 0.504 0.872 1.00 0.00 H new ATOM 150 N GLU A 13 6.373 -3.422 0.337 1.00 0.00 N ATOM 151 CA GLU A 13 5.698 -4.351 -0.552 1.00 0.00 C ATOM 152 C GLU A 13 4.513 -5.005 0.163 1.00 0.00 C ATOM 153 O GLU A 13 3.427 -5.120 -0.403 1.00 0.00 O ATOM 154 CB GLU A 13 6.669 -5.408 -1.082 1.00 0.00 C ATOM 155 CG GLU A 13 7.297 -4.961 -2.404 1.00 0.00 C ATOM 156 CD GLU A 13 6.422 -5.365 -3.591 1.00 0.00 C ATOM 157 OE1 GLU A 13 5.192 -5.168 -3.483 1.00 0.00 O ATOM 158 OE2 GLU A 13 7.001 -5.863 -4.580 1.00 0.00 O ATOM 0 H GLU A 13 7.382 -3.553 0.405 1.00 0.00 H new ATOM 0 HA GLU A 13 5.318 -3.793 -1.408 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.452 -5.589 -0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.142 -6.351 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.432 -3.879 -2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.287 -5.406 -2.509 1.00 0.00 H new ATOM 163 N GLU A 14 4.763 -5.417 1.398 1.00 0.00 N ATOM 164 CA GLU A 14 3.731 -6.055 2.197 1.00 0.00 C ATOM 165 C GLU A 14 2.750 -5.010 2.732 1.00 0.00 C ATOM 166 O GLU A 14 1.543 -5.245 2.762 1.00 0.00 O ATOM 167 CB GLU A 14 4.346 -6.865 3.340 1.00 0.00 C ATOM 168 CG GLU A 14 4.444 -6.027 4.616 1.00 0.00 C ATOM 169 CD GLU A 14 5.328 -6.715 5.657 1.00 0.00 C ATOM 170 OE1 GLU A 14 6.285 -7.397 5.228 1.00 0.00 O ATOM 171 OE2 GLU A 14 5.029 -6.544 6.858 1.00 0.00 O ATOM 0 H GLU A 14 5.665 -5.321 1.864 1.00 0.00 H new ATOM 0 HA GLU A 14 3.181 -6.747 1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.741 -7.752 3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.338 -7.212 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.852 -5.044 4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.448 -5.868 5.028 1.00 0.00 H new ATOM 176 N VAL A 15 3.305 -3.879 3.140 1.00 0.00 N ATOM 177 CA VAL A 15 2.495 -2.796 3.672 1.00 0.00 C ATOM 178 C VAL A 15 1.302 -2.554 2.744 1.00 0.00 C ATOM 179 O VAL A 15 0.167 -2.875 3.091 1.00 0.00 O ATOM 180 CB VAL A 15 3.356 -1.548 3.876 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.484 -0.307 4.076 1.00 0.00 C ATOM 182 CG2 VAL A 15 4.322 -1.735 5.046 1.00 0.00 C ATOM 0 H VAL A 15 4.307 -3.688 3.113 1.00 0.00 H new ATOM 0 HA VAL A 15 2.097 -3.063 4.651 1.00 0.00 H new ATOM 0 HB VAL A 15 3.949 -1.398 2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.121 0.566 4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.856 -0.158 3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.853 -0.443 4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.922 -0.834 5.170 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.756 -1.922 5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.977 -2.583 4.845 1.00 0.00 H new ATOM 192 N PHE A 16 1.602 -1.991 1.582 1.00 0.00 N ATOM 193 CA PHE A 16 0.568 -1.703 0.603 1.00 0.00 C ATOM 194 C PHE A 16 -0.402 -2.878 0.467 1.00 0.00 C ATOM 195 O PHE A 16 -1.613 -2.681 0.376 1.00 0.00 O ATOM 196 CB PHE A 16 1.273 -1.481 -0.737 1.00 0.00 C ATOM 197 CG PHE A 16 1.900 -0.093 -0.889 1.00 0.00 C ATOM 198 CD1 PHE A 16 1.243 1.004 -0.425 1.00 0.00 C ATOM 199 CD2 PHE A 16 3.115 0.042 -1.485 1.00 0.00 C ATOM 200 CE1 PHE A 16 1.825 2.292 -0.565 1.00 0.00 C ATOM 201 CE2 PHE A 16 3.697 1.330 -1.625 1.00 0.00 C ATOM 202 CZ PHE A 16 3.040 2.427 -1.163 1.00 0.00 C ATOM 0 H PHE A 16 2.545 -1.727 1.297 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.005 -0.829 0.912 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.051 -2.235 -0.855 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.555 -1.634 -1.543 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.279 0.896 0.050 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.637 -0.830 -1.852 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.304 3.163 -0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.662 1.438 -2.099 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.483 3.406 -1.271 1.00 0.00 H new ATOM 211 N ASP A 17 0.166 -4.074 0.458 1.00 0.00 N ATOM 212 CA ASP A 17 -0.633 -5.282 0.335 1.00 0.00 C ATOM 213 C ASP A 17 -1.548 -5.408 1.554 1.00 0.00 C ATOM 214 O ASP A 17 -2.770 -5.442 1.417 1.00 0.00 O ATOM 215 CB ASP A 17 0.254 -6.527 0.278 1.00 0.00 C ATOM 216 CG ASP A 17 0.516 -7.071 -1.128 1.00 0.00 C ATOM 217 OD1 ASP A 17 0.335 -6.286 -2.084 1.00 0.00 O ATOM 218 OD2 ASP A 17 0.890 -8.261 -1.215 1.00 0.00 O ATOM 0 H ASP A 17 1.171 -4.233 0.534 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.212 -5.211 -0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.211 -6.295 0.745 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.210 -7.313 0.875 1.00 0.00 H new ATOM 222 N VAL A 18 -0.922 -5.477 2.720 1.00 0.00 N ATOM 223 CA VAL A 18 -1.665 -5.599 3.962 1.00 0.00 C ATOM 224 C VAL A 18 -2.800 -4.573 3.976 1.00 0.00 C ATOM 225 O VAL A 18 -3.970 -4.938 4.086 1.00 0.00 O ATOM 226 CB VAL A 18 -0.717 -5.458 5.155 1.00 0.00 C ATOM 227 CG1 VAL A 18 -1.480 -5.054 6.418 1.00 0.00 C ATOM 228 CG2 VAL A 18 0.076 -6.747 5.381 1.00 0.00 C ATOM 0 H VAL A 18 0.092 -5.451 2.830 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.119 -6.587 4.039 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.006 -4.664 4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.782 -4.961 7.250 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.977 -4.098 6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.225 -5.815 6.652 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.742 -6.620 6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.613 -7.568 5.578 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.665 -6.973 4.492 1.00 0.00 H new ATOM 238 N LEU A 19 -2.415 -3.311 3.864 1.00 0.00 N ATOM 239 CA LEU A 19 -3.386 -2.229 3.863 1.00 0.00 C ATOM 240 C LEU A 19 -4.500 -2.552 2.865 1.00 0.00 C ATOM 241 O LEU A 19 -5.673 -2.602 3.233 1.00 0.00 O ATOM 242 CB LEU A 19 -2.696 -0.890 3.601 1.00 0.00 C ATOM 243 CG LEU A 19 -1.565 -0.519 4.563 1.00 0.00 C ATOM 244 CD1 LEU A 19 -1.258 0.978 4.496 1.00 0.00 C ATOM 245 CD2 LEU A 19 -1.885 -0.976 5.987 1.00 0.00 C ATOM 0 H LEU A 19 -1.444 -3.013 3.773 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.852 -2.134 4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.295 -0.903 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.449 -0.103 3.636 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.664 -1.046 4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.451 1.215 5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.956 1.242 3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.148 1.545 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.065 -0.700 6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.803 -0.496 6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.015 -2.058 6.001 1.00 0.00 H new ATOM 256 N TYR A 20 -4.095 -2.763 1.621 1.00 0.00 N ATOM 257 CA TYR A 20 -5.044 -3.080 0.567 1.00 0.00 C ATOM 258 C TYR A 20 -5.976 -4.216 0.993 1.00 0.00 C ATOM 259 O TYR A 20 -7.197 -4.087 0.907 1.00 0.00 O ATOM 260 CB TYR A 20 -4.209 -3.542 -0.628 1.00 0.00 C ATOM 261 CG TYR A 20 -5.040 -4.045 -1.810 1.00 0.00 C ATOM 262 CD1 TYR A 20 -6.125 -3.315 -2.251 1.00 0.00 C ATOM 263 CD2 TYR A 20 -4.704 -5.228 -2.437 1.00 0.00 C ATOM 264 CE1 TYR A 20 -6.907 -3.787 -3.364 1.00 0.00 C ATOM 265 CE2 TYR A 20 -5.485 -5.700 -3.550 1.00 0.00 C ATOM 266 CZ TYR A 20 -6.549 -4.957 -3.958 1.00 0.00 C ATOM 267 OH TYR A 20 -7.287 -5.404 -5.009 1.00 0.00 O ATOM 0 H TYR A 20 -3.122 -2.721 1.319 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.663 -2.213 0.334 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.583 -2.715 -0.963 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.538 -4.338 -0.304 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.388 -2.389 -1.761 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.855 -5.799 -2.092 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.758 -3.225 -3.719 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.232 -6.623 -4.050 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.915 -6.250 -5.334 1.00 0.00 H new ATOM 276 N SER A 21 -5.366 -5.302 1.443 1.00 0.00 N ATOM 277 CA SER A 21 -6.127 -6.460 1.882 1.00 0.00 C ATOM 278 C SER A 21 -7.081 -6.062 3.009 1.00 0.00 C ATOM 279 O SER A 21 -8.237 -6.482 3.026 1.00 0.00 O ATOM 280 CB SER A 21 -5.199 -7.585 2.344 1.00 0.00 C ATOM 281 OG SER A 21 -5.211 -8.690 1.445 1.00 0.00 O ATOM 0 H SER A 21 -4.354 -5.405 1.513 1.00 0.00 H new ATOM 0 HA SER A 21 -6.708 -6.829 1.037 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.182 -7.202 2.434 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.502 -7.921 3.336 1.00 0.00 H new ATOM 0 HG SER A 21 -5.623 -9.464 1.883 1.00 0.00 H new ATOM 286 N GLU A 22 -6.563 -5.256 3.924 1.00 0.00 N ATOM 287 CA GLU A 22 -7.355 -4.797 5.053 1.00 0.00 C ATOM 288 C GLU A 22 -8.632 -4.113 4.562 1.00 0.00 C ATOM 289 O GLU A 22 -9.726 -4.426 5.027 1.00 0.00 O ATOM 290 CB GLU A 22 -6.541 -3.861 5.949 1.00 0.00 C ATOM 291 CG GLU A 22 -5.476 -4.637 6.727 1.00 0.00 C ATOM 292 CD GLU A 22 -5.753 -4.589 8.231 1.00 0.00 C ATOM 293 OE1 GLU A 22 -5.304 -3.608 8.861 1.00 0.00 O ATOM 294 OE2 GLU A 22 -6.409 -5.537 8.718 1.00 0.00 O ATOM 0 H GLU A 22 -5.604 -4.909 3.907 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.637 -5.664 5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.064 -3.092 5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.205 -3.350 6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.457 -5.673 6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.492 -4.217 6.521 1.00 0.00 H new ATOM 299 N ALA A 23 -8.449 -3.192 3.627 1.00 0.00 N ATOM 300 CA ALA A 23 -9.573 -2.460 3.067 1.00 0.00 C ATOM 301 C ALA A 23 -10.502 -3.437 2.344 1.00 0.00 C ATOM 302 O ALA A 23 -11.715 -3.240 2.317 1.00 0.00 O ATOM 303 CB ALA A 23 -9.055 -1.354 2.145 1.00 0.00 C ATOM 0 H ALA A 23 -7.539 -2.936 3.243 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.151 -1.980 3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.898 -0.805 1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.425 -0.671 2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.472 -1.797 1.337 1.00 0.00 H new ATOM 309 N LEU A 24 -9.896 -4.468 1.773 1.00 0.00 N ATOM 310 CA LEU A 24 -10.654 -5.476 1.051 1.00 0.00 C ATOM 311 C LEU A 24 -11.362 -6.389 2.053 1.00 0.00 C ATOM 312 O LEU A 24 -12.404 -6.966 1.744 1.00 0.00 O ATOM 313 CB LEU A 24 -9.750 -6.223 0.068 1.00 0.00 C ATOM 314 CG LEU A 24 -9.840 -5.783 -1.394 1.00 0.00 C ATOM 315 CD1 LEU A 24 -8.759 -6.460 -2.239 1.00 0.00 C ATOM 316 CD2 LEU A 24 -11.243 -6.027 -1.955 1.00 0.00 C ATOM 0 H LEU A 24 -8.889 -4.627 1.796 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.429 -5.009 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.717 -6.110 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.988 -7.285 0.122 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.657 -4.709 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.846 -6.129 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.775 -6.192 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.885 -7.542 -2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.280 -5.705 -2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.479 -7.089 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.971 -5.460 -1.374 1.00 0.00 H new ATOM 327 N GLY A 25 -10.769 -6.495 3.233 1.00 0.00 N ATOM 328 CA GLY A 25 -11.330 -7.330 4.282 1.00 0.00 C ATOM 329 C GLY A 25 -11.221 -8.812 3.919 1.00 0.00 C ATOM 330 O GLY A 25 -12.125 -9.594 4.212 1.00 0.00 O ATOM 0 H GLY A 25 -9.905 -6.016 3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.807 -7.142 5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.376 -7.067 4.441 1.00 0.00 H new ATOM 334 N ARG A 26 -10.108 -9.154 3.288 1.00 0.00 N ATOM 335 CA ARG A 26 -9.869 -10.529 2.883 1.00 0.00 C ATOM 336 C ARG A 26 -9.213 -11.312 4.022 1.00 0.00 C ATOM 337 O ARG A 26 -8.687 -10.720 4.964 1.00 0.00 O ATOM 338 CB ARG A 26 -8.970 -10.590 1.646 1.00 0.00 C ATOM 339 CG ARG A 26 -9.647 -9.935 0.442 1.00 0.00 C ATOM 340 CD ARG A 26 -10.304 -10.985 -0.456 1.00 0.00 C ATOM 341 NE ARG A 26 -11.654 -10.532 -0.862 1.00 0.00 N ATOM 342 CZ ARG A 26 -12.556 -11.313 -1.472 1.00 0.00 C ATOM 343 NH1 ARG A 26 -12.259 -12.590 -1.749 1.00 0.00 N ATOM 344 NH2 ARG A 26 -13.756 -10.817 -1.803 1.00 0.00 N ATOM 0 H ARG A 26 -9.361 -8.503 3.047 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.833 -10.976 2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.025 -10.088 1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.735 -11.629 1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.398 -9.224 0.785 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.911 -9.370 -0.131 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.688 -11.157 -1.339 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.374 -11.935 0.073 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.913 -9.565 -0.665 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.346 -12.968 -1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.946 -13.184 -2.213 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.982 -9.845 -1.591 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.443 -11.411 -2.267 1.00 0.00 H new ATOM 355 N ALA A 27 -9.265 -12.630 3.899 1.00 0.00 N ATOM 356 CA ALA A 27 -8.683 -13.499 4.907 1.00 0.00 C ATOM 357 C ALA A 27 -7.256 -13.867 4.494 1.00 0.00 C ATOM 358 O ALA A 27 -6.683 -14.822 5.014 1.00 0.00 O ATOM 359 CB ALA A 27 -9.571 -14.731 5.094 1.00 0.00 C ATOM 0 H ALA A 27 -9.701 -13.117 3.116 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.627 -12.988 5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.134 -15.383 5.850 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.565 -14.418 5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.648 -15.271 4.150 1.00 0.00 H new ATOM 365 N SER A 28 -6.725 -13.089 3.562 1.00 0.00 N ATOM 366 CA SER A 28 -5.377 -13.321 3.073 1.00 0.00 C ATOM 367 C SER A 28 -4.775 -12.013 2.556 1.00 0.00 C ATOM 368 O SER A 28 -5.470 -11.003 2.454 1.00 0.00 O ATOM 369 CB SER A 28 -5.365 -14.383 1.972 1.00 0.00 C ATOM 370 OG SER A 28 -4.541 -15.495 2.310 1.00 0.00 O ATOM 0 H SER A 28 -7.204 -12.297 3.133 1.00 0.00 H new ATOM 0 HA SER A 28 -4.772 -13.689 3.901 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.383 -14.728 1.791 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.009 -13.938 1.043 1.00 0.00 H new ATOM 0 HG SER A 28 -4.562 -16.151 1.582 1.00 0.00 H new ATOM 375 N VAL A 29 -3.490 -12.074 2.240 1.00 0.00 N ATOM 376 CA VAL A 29 -2.787 -10.906 1.736 1.00 0.00 C ATOM 377 C VAL A 29 -2.630 -11.027 0.219 1.00 0.00 C ATOM 378 O VAL A 29 -1.826 -11.822 -0.264 1.00 0.00 O ATOM 379 CB VAL A 29 -1.452 -10.743 2.465 1.00 0.00 C ATOM 380 CG1 VAL A 29 -0.662 -9.559 1.905 1.00 0.00 C ATOM 381 CG2 VAL A 29 -1.664 -10.597 3.973 1.00 0.00 C ATOM 0 H VAL A 29 -2.917 -12.914 2.323 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.361 -10.000 1.932 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.866 -11.646 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.283 -9.466 2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.464 -9.722 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.241 -8.644 2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.699 -10.483 4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.279 -9.719 4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.165 -11.485 4.358 1.00 0.00 H new ATOM 391 N VAL A 30 -3.410 -10.224 -0.491 1.00 0.00 N ATOM 392 CA VAL A 30 -3.367 -10.232 -1.943 1.00 0.00 C ATOM 393 C VAL A 30 -2.394 -9.154 -2.426 1.00 0.00 C ATOM 394 O VAL A 30 -2.094 -8.210 -1.694 1.00 0.00 O ATOM 395 CB VAL A 30 -4.778 -10.059 -2.509 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.599 -11.338 -2.333 1.00 0.00 C ATOM 397 CG2 VAL A 30 -5.484 -8.863 -1.868 1.00 0.00 C ATOM 0 H VAL A 30 -4.075 -9.564 -0.087 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.999 -11.191 -2.309 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.688 -9.862 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.598 -11.189 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.110 -12.159 -2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.675 -11.579 -1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.485 -8.763 -2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.556 -9.017 -0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.915 -7.955 -2.067 1.00 0.00 H new ATOM 407 N PRO A 31 -1.917 -9.334 -3.686 1.00 0.00 N ATOM 408 CA PRO A 31 -0.984 -8.387 -4.275 1.00 0.00 C ATOM 409 C PRO A 31 -1.698 -7.100 -4.692 1.00 0.00 C ATOM 410 O PRO A 31 -2.925 -7.064 -4.766 1.00 0.00 O ATOM 411 CB PRO A 31 -0.361 -9.127 -5.447 1.00 0.00 C ATOM 412 CG PRO A 31 -1.296 -10.285 -5.754 1.00 0.00 C ATOM 413 CD PRO A 31 -2.250 -10.438 -4.580 1.00 0.00 C ATOM 0 HA PRO A 31 -0.217 -8.061 -3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.255 -8.471 -6.311 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.637 -9.487 -5.196 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.850 -10.095 -6.673 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.729 -11.203 -5.907 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.289 -10.385 -4.905 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.119 -11.401 -4.086 1.00 0.00 H new ATOM 418 N LEU A 32 -0.899 -6.077 -4.954 1.00 0.00 N ATOM 419 CA LEU A 32 -1.440 -4.791 -5.362 1.00 0.00 C ATOM 420 C LEU A 32 -1.068 -4.526 -6.823 1.00 0.00 C ATOM 421 O LEU A 32 0.040 -4.080 -7.113 1.00 0.00 O ATOM 422 CB LEU A 32 -0.985 -3.689 -4.403 1.00 0.00 C ATOM 423 CG LEU A 32 -1.284 -2.254 -4.838 1.00 0.00 C ATOM 424 CD1 LEU A 32 -2.667 -2.155 -5.486 1.00 0.00 C ATOM 425 CD2 LEU A 32 -1.128 -1.281 -3.667 1.00 0.00 C ATOM 0 H LEU A 32 0.119 -6.112 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.529 -4.801 -5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.457 -3.860 -3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.091 -3.786 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.553 -1.967 -5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.855 -1.124 -5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.705 -2.801 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.427 -2.469 -4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.346 -0.268 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.820 -1.556 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.106 -1.326 -3.291 1.00 0.00 H new ATOM 436 N PRO A 33 -2.041 -4.822 -7.725 1.00 0.00 N ATOM 437 CA PRO A 33 -1.827 -4.620 -9.148 1.00 0.00 C ATOM 438 C PRO A 33 -1.895 -3.135 -9.508 1.00 0.00 C ATOM 439 O PRO A 33 -2.878 -2.678 -10.089 1.00 0.00 O ATOM 440 CB PRO A 33 -2.906 -5.446 -9.829 1.00 0.00 C ATOM 441 CG PRO A 33 -3.965 -5.703 -8.769 1.00 0.00 C ATOM 442 CD PRO A 33 -3.365 -5.351 -7.417 1.00 0.00 C ATOM 0 HA PRO A 33 -0.836 -4.937 -9.473 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.327 -4.912 -10.681 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.499 -6.383 -10.210 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.852 -5.100 -8.962 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.279 -6.747 -8.788 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.974 -4.614 -6.894 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.301 -6.227 -6.772 1.00 0.00 H new ATOM 447 N TYR A 34 -0.837 -2.422 -9.149 1.00 0.00 N ATOM 448 CA TYR A 34 -0.765 -0.999 -9.426 1.00 0.00 C ATOM 449 C TYR A 34 -1.157 -0.702 -10.875 1.00 0.00 C ATOM 450 O TYR A 34 -2.052 0.104 -11.127 1.00 0.00 O ATOM 451 CB TYR A 34 0.699 -0.601 -9.216 1.00 0.00 C ATOM 452 CG TYR A 34 1.196 -0.799 -7.783 1.00 0.00 C ATOM 453 CD1 TYR A 34 0.872 0.120 -6.806 1.00 0.00 C ATOM 454 CD2 TYR A 34 1.971 -1.898 -7.467 1.00 0.00 C ATOM 455 CE1 TYR A 34 1.340 -0.067 -5.457 1.00 0.00 C ATOM 456 CE2 TYR A 34 2.439 -2.084 -6.118 1.00 0.00 C ATOM 457 CZ TYR A 34 2.101 -1.159 -5.180 1.00 0.00 C ATOM 458 OH TYR A 34 2.544 -1.334 -3.906 1.00 0.00 O ATOM 0 H TYR A 34 -0.023 -2.805 -8.668 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.446 -0.448 -8.778 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.324 -1.185 -9.891 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.824 0.446 -9.492 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.267 0.980 -7.053 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.226 -2.617 -8.231 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.092 0.644 -4.683 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.045 -2.939 -5.857 1.00 0.00 H new ATOM 0 HH TYR A 34 2.756 -0.463 -3.511 1.00 0.00 H new ATOM 467 N GLU A 35 -0.469 -1.368 -11.790 1.00 0.00 N ATOM 468 CA GLU A 35 -0.734 -1.186 -13.207 1.00 0.00 C ATOM 469 C GLU A 35 -2.238 -1.040 -13.450 1.00 0.00 C ATOM 470 O GLU A 35 -2.655 -0.354 -14.382 1.00 0.00 O ATOM 471 CB GLU A 35 -0.155 -2.341 -14.026 1.00 0.00 C ATOM 472 CG GLU A 35 -1.037 -3.587 -13.917 1.00 0.00 C ATOM 473 CD GLU A 35 -0.469 -4.735 -14.752 1.00 0.00 C ATOM 474 OE1 GLU A 35 -0.679 -4.699 -15.984 1.00 0.00 O ATOM 475 OE2 GLU A 35 0.162 -5.625 -14.141 1.00 0.00 O ATOM 0 H GLU A 35 0.273 -2.035 -11.578 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.242 -0.270 -13.535 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.068 -2.043 -15.071 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.851 -2.571 -13.676 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.112 -3.894 -12.874 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.047 -3.353 -14.254 1.00 0.00 H new ATOM 480 N ARG A 36 -3.010 -1.695 -12.596 1.00 0.00 N ATOM 481 CA ARG A 36 -4.458 -1.648 -12.707 1.00 0.00 C ATOM 482 C ARG A 36 -5.020 -0.531 -11.825 1.00 0.00 C ATOM 483 O ARG A 36 -5.531 0.467 -12.331 1.00 0.00 O ATOM 484 CB ARG A 36 -5.086 -2.980 -12.294 1.00 0.00 C ATOM 485 CG ARG A 36 -5.434 -3.825 -13.521 1.00 0.00 C ATOM 486 CD ARG A 36 -6.834 -3.486 -14.041 1.00 0.00 C ATOM 487 NE ARG A 36 -7.385 -4.634 -14.795 1.00 0.00 N ATOM 488 CZ ARG A 36 -8.635 -4.687 -15.274 1.00 0.00 C ATOM 489 NH1 ARG A 36 -9.471 -3.658 -15.080 1.00 0.00 N ATOM 490 NH2 ARG A 36 -9.050 -5.769 -15.947 1.00 0.00 N ATOM 0 H ARG A 36 -2.660 -2.262 -11.824 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.705 -1.452 -13.750 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.395 -3.529 -11.654 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.986 -2.796 -11.708 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.699 -3.652 -14.307 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.384 -4.883 -13.265 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.491 -3.239 -13.207 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.789 -2.606 -14.683 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.775 -5.435 -14.960 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.156 -2.834 -14.568 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.423 -3.698 -15.445 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.414 -6.553 -16.095 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.002 -5.809 -16.311 1.00 0.00 H new ATOM 501 N LEU A 37 -4.910 -0.738 -10.522 1.00 0.00 N ATOM 502 CA LEU A 37 -5.402 0.238 -9.564 1.00 0.00 C ATOM 503 C LEU A 37 -5.038 1.644 -10.045 1.00 0.00 C ATOM 504 O LEU A 37 -5.779 2.597 -9.806 1.00 0.00 O ATOM 505 CB LEU A 37 -4.889 -0.084 -8.159 1.00 0.00 C ATOM 506 CG LEU A 37 -5.151 -1.506 -7.659 1.00 0.00 C ATOM 507 CD1 LEU A 37 -5.309 -1.531 -6.137 1.00 0.00 C ATOM 508 CD2 LEU A 37 -6.356 -2.124 -8.370 1.00 0.00 C ATOM 0 H LEU A 37 -4.487 -1.568 -10.106 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.489 0.194 -9.498 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.814 0.096 -8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.344 0.616 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.284 -2.119 -7.903 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.494 -2.553 -5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.397 -1.159 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.148 -0.899 -5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.520 -3.135 -7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.242 -1.518 -8.179 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.166 -2.161 -9.443 1.00 0.00 H new ATOM 519 N LEU A 38 -3.897 1.731 -10.711 1.00 0.00 N ATOM 520 CA LEU A 38 -3.426 3.004 -11.227 1.00 0.00 C ATOM 521 C LEU A 38 -4.387 3.498 -12.309 1.00 0.00 C ATOM 522 O LEU A 38 -4.848 4.638 -12.262 1.00 0.00 O ATOM 523 CB LEU A 38 -1.975 2.889 -11.699 1.00 0.00 C ATOM 524 CG LEU A 38 -0.934 2.621 -10.610 1.00 0.00 C ATOM 525 CD1 LEU A 38 0.389 2.153 -11.218 1.00 0.00 C ATOM 526 CD2 LEU A 38 -0.751 3.847 -9.714 1.00 0.00 C ATOM 0 H LEU A 38 -3.284 0.939 -10.905 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.421 3.755 -10.437 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.916 2.087 -12.435 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.706 3.813 -12.211 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.301 1.812 -9.979 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.111 1.970 -10.422 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.226 1.233 -11.779 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.774 2.922 -11.887 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.006 3.630 -8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.417 4.692 -10.317 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.700 4.094 -9.237 1.00 0.00 H new ATOM 537 N ARG A 39 -4.660 2.617 -13.261 1.00 0.00 N ATOM 538 CA ARG A 39 -5.558 2.949 -14.353 1.00 0.00 C ATOM 539 C ARG A 39 -6.780 3.704 -13.826 1.00 0.00 C ATOM 540 O ARG A 39 -7.118 4.774 -14.331 1.00 0.00 O ATOM 541 CB ARG A 39 -6.024 1.689 -15.086 1.00 0.00 C ATOM 542 CG ARG A 39 -7.170 2.007 -16.048 1.00 0.00 C ATOM 543 CD ARG A 39 -6.714 2.970 -17.145 1.00 0.00 C ATOM 544 NE ARG A 39 -5.848 2.262 -18.114 1.00 0.00 N ATOM 545 CZ ARG A 39 -6.301 1.398 -19.034 1.00 0.00 C ATOM 546 NH1 ARG A 39 -7.612 1.131 -19.114 1.00 0.00 N ATOM 547 NH2 ARG A 39 -5.443 0.802 -19.872 1.00 0.00 N ATOM 0 H ARG A 39 -4.274 1.673 -13.298 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.009 3.581 -15.052 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.190 1.256 -15.639 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.349 0.942 -14.362 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.538 1.085 -16.498 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.001 2.446 -15.496 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.581 3.387 -17.657 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.172 3.806 -16.704 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.845 2.442 -18.080 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.265 1.585 -18.475 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.957 0.474 -19.814 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.445 1.005 -19.810 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.787 0.145 -20.572 1.00 0.00 H new ATOM 558 N GLU A 40 -7.408 3.119 -12.817 1.00 0.00 N ATOM 559 CA GLU A 40 -8.584 3.723 -12.215 1.00 0.00 C ATOM 560 C GLU A 40 -8.299 4.109 -10.763 1.00 0.00 C ATOM 561 O GLU A 40 -8.244 3.247 -9.887 1.00 0.00 O ATOM 562 CB GLU A 40 -9.790 2.787 -12.307 1.00 0.00 C ATOM 563 CG GLU A 40 -9.352 1.362 -12.654 1.00 0.00 C ATOM 564 CD GLU A 40 -10.564 0.456 -12.879 1.00 0.00 C ATOM 565 OE1 GLU A 40 -11.567 0.660 -12.161 1.00 0.00 O ATOM 566 OE2 GLU A 40 -10.461 -0.421 -13.764 1.00 0.00 O ATOM 0 H GLU A 40 -7.124 2.232 -12.401 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.826 4.629 -12.770 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.327 2.786 -11.359 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.482 3.153 -13.065 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.733 1.376 -13.551 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.737 0.960 -11.848 1.00 0.00 H new ATOM 571 N PRO A 41 -8.119 5.441 -10.545 1.00 0.00 N ATOM 572 CA PRO A 41 -7.840 5.950 -9.214 1.00 0.00 C ATOM 573 C PRO A 41 -9.102 5.945 -8.350 1.00 0.00 C ATOM 574 O PRO A 41 -9.019 5.944 -7.122 1.00 0.00 O ATOM 575 CB PRO A 41 -7.279 7.345 -9.437 1.00 0.00 C ATOM 576 CG PRO A 41 -7.696 7.742 -10.844 1.00 0.00 C ATOM 577 CD PRO A 41 -8.176 6.490 -11.558 1.00 0.00 C ATOM 0 HA PRO A 41 -7.129 5.331 -8.667 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.672 8.046 -8.701 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.194 7.350 -9.335 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.488 8.490 -10.811 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.858 8.189 -11.379 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.189 6.616 -11.941 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.540 6.252 -12.411 1.00 0.00 H new ATOM 582 N GLY A 42 -10.243 5.941 -9.024 1.00 0.00 N ATOM 583 CA GLY A 42 -11.521 5.935 -8.333 1.00 0.00 C ATOM 584 C GLY A 42 -11.810 4.560 -7.727 1.00 0.00 C ATOM 585 O GLY A 42 -12.522 4.455 -6.729 1.00 0.00 O ATOM 0 H GLY A 42 -10.309 5.942 -10.042 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.517 6.689 -7.546 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.316 6.204 -9.029 1.00 0.00 H new ATOM 589 N LEU A 43 -11.244 3.540 -8.354 1.00 0.00 N ATOM 590 CA LEU A 43 -11.431 2.176 -7.889 1.00 0.00 C ATOM 591 C LEU A 43 -10.792 2.021 -6.509 1.00 0.00 C ATOM 592 O LEU A 43 -11.369 1.397 -5.619 1.00 0.00 O ATOM 593 CB LEU A 43 -10.909 1.180 -8.926 1.00 0.00 C ATOM 594 CG LEU A 43 -11.419 -0.256 -8.792 1.00 0.00 C ATOM 595 CD1 LEU A 43 -12.820 -0.398 -9.388 1.00 0.00 C ATOM 596 CD2 LEU A 43 -10.430 -1.248 -9.407 1.00 0.00 C ATOM 0 H LEU A 43 -10.655 3.631 -9.182 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.492 1.954 -7.775 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.172 1.547 -9.918 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.821 1.165 -8.870 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.496 -0.494 -7.731 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.159 -1.428 -9.280 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.507 0.267 -8.865 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.794 -0.134 -10.445 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.816 -2.261 -9.299 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.298 -1.021 -10.465 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.470 -1.169 -8.896 1.00 0.00 H new ATOM 607 N LEU A 44 -9.608 2.599 -6.372 1.00 0.00 N ATOM 608 CA LEU A 44 -8.883 2.532 -5.114 1.00 0.00 C ATOM 609 C LEU A 44 -7.890 3.694 -5.040 1.00 0.00 C ATOM 610 O LEU A 44 -6.903 3.719 -5.774 1.00 0.00 O ATOM 611 CB LEU A 44 -8.234 1.157 -4.941 1.00 0.00 C ATOM 612 CG LEU A 44 -7.117 1.068 -3.900 1.00 0.00 C ATOM 613 CD1 LEU A 44 -7.509 1.797 -2.613 1.00 0.00 C ATOM 614 CD2 LEU A 44 -6.727 -0.388 -3.638 1.00 0.00 C ATOM 0 H LEU A 44 -9.132 3.116 -7.111 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.568 2.643 -4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.011 0.442 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.831 0.844 -5.904 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.236 1.570 -4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.698 1.719 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.699 2.848 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.410 1.345 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.931 -0.423 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.594 -0.936 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.378 -0.844 -4.565 1.00 0.00 H new ATOM 625 N ALA A 45 -8.185 4.627 -4.147 1.00 0.00 N ATOM 626 CA ALA A 45 -7.330 5.789 -3.969 1.00 0.00 C ATOM 627 C ALA A 45 -6.488 5.606 -2.704 1.00 0.00 C ATOM 628 O ALA A 45 -7.023 5.324 -1.633 1.00 0.00 O ATOM 629 CB ALA A 45 -8.191 7.053 -3.918 1.00 0.00 C ATOM 0 H ALA A 45 -9.004 4.602 -3.539 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.645 5.895 -4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.550 7.925 -3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.748 7.152 -4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.889 6.984 -3.083 1.00 0.00 H new ATOM 635 N VAL A 46 -5.184 5.775 -2.871 1.00 0.00 N ATOM 636 CA VAL A 46 -4.263 5.633 -1.757 1.00 0.00 C ATOM 637 C VAL A 46 -4.130 6.976 -1.036 1.00 0.00 C ATOM 638 O VAL A 46 -3.685 7.961 -1.626 1.00 0.00 O ATOM 639 CB VAL A 46 -2.923 5.086 -2.252 1.00 0.00 C ATOM 640 CG1 VAL A 46 -1.969 4.829 -1.084 1.00 0.00 C ATOM 641 CG2 VAL A 46 -3.123 3.817 -3.085 1.00 0.00 C ATOM 0 H VAL A 46 -4.744 6.009 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.646 4.912 -1.035 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.470 5.842 -2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.024 4.441 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.789 5.762 -0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.413 4.101 -0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.155 3.448 -3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.608 3.054 -2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.748 4.043 -3.949 1.00 0.00 H new ATOM 651 N GLN A 47 -4.522 6.974 0.229 1.00 0.00 N ATOM 652 CA GLN A 47 -4.453 8.179 1.037 1.00 0.00 C ATOM 653 C GLN A 47 -3.438 8.003 2.169 1.00 0.00 C ATOM 654 O GLN A 47 -3.039 6.882 2.479 1.00 0.00 O ATOM 655 CB GLN A 47 -5.831 8.551 1.590 1.00 0.00 C ATOM 656 CG GLN A 47 -6.754 9.044 0.474 1.00 0.00 C ATOM 657 CD GLN A 47 -6.138 10.238 -0.259 1.00 0.00 C ATOM 658 OE1 GLN A 47 -5.298 10.097 -1.132 1.00 0.00 O ATOM 659 NE2 GLN A 47 -6.603 11.418 0.142 1.00 0.00 N ATOM 0 H GLN A 47 -4.889 6.156 0.715 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.120 8.999 0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.276 7.685 2.079 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.725 9.326 2.349 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.940 8.235 -0.233 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.719 9.329 0.894 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.307 11.465 0.879 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.256 12.276 -0.287 1.00 0.00 H new ATOM 666 N GLY A 48 -3.050 9.126 2.753 1.00 0.00 N ATOM 667 CA GLY A 48 -2.089 9.111 3.843 1.00 0.00 C ATOM 668 C GLY A 48 -0.708 8.675 3.350 1.00 0.00 C ATOM 669 O GLY A 48 0.059 8.069 4.097 1.00 0.00 O ATOM 0 H GLY A 48 -3.384 10.054 2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.023 10.104 4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.431 8.433 4.625 1.00 0.00 H new ATOM 673 N LEU A 49 -0.433 8.998 2.095 1.00 0.00 N ATOM 674 CA LEU A 49 0.842 8.648 1.493 1.00 0.00 C ATOM 675 C LEU A 49 1.927 9.583 2.029 1.00 0.00 C ATOM 676 O LEU A 49 1.625 10.616 2.624 1.00 0.00 O ATOM 677 CB LEU A 49 0.731 8.645 -0.033 1.00 0.00 C ATOM 678 CG LEU A 49 0.308 7.321 -0.672 1.00 0.00 C ATOM 679 CD1 LEU A 49 -0.261 7.545 -2.074 1.00 0.00 C ATOM 680 CD2 LEU A 49 1.466 6.320 -0.678 1.00 0.00 C ATOM 0 H LEU A 49 -1.072 9.499 1.478 1.00 0.00 H new ATOM 0 HA LEU A 49 1.129 7.634 1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.015 9.413 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.696 8.934 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.489 6.890 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.554 6.588 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.132 8.197 -2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.497 8.010 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.138 5.387 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.300 6.732 -1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.786 6.127 0.346 1.00 0.00 H new ATOM 691 N PRO A 50 3.204 9.176 1.794 1.00 0.00 N ATOM 692 CA PRO A 50 4.337 9.965 2.246 1.00 0.00 C ATOM 693 C PRO A 50 4.531 11.201 1.365 1.00 0.00 C ATOM 694 O PRO A 50 4.708 11.082 0.154 1.00 0.00 O ATOM 695 CB PRO A 50 5.521 9.014 2.205 1.00 0.00 C ATOM 696 CG PRO A 50 5.105 7.869 1.296 1.00 0.00 C ATOM 697 CD PRO A 50 3.601 7.958 1.093 1.00 0.00 C ATOM 0 HA PRO A 50 4.198 10.363 3.251 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.410 9.514 1.821 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.765 8.651 3.203 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.624 7.933 0.340 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.374 6.911 1.741 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.347 8.010 0.034 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.094 7.083 1.500 1.00 0.00 H new ATOM 702 N GLU A 51 4.492 12.359 2.007 1.00 0.00 N ATOM 703 CA GLU A 51 4.662 13.615 1.298 1.00 0.00 C ATOM 704 C GLU A 51 5.860 13.530 0.349 1.00 0.00 C ATOM 705 O GLU A 51 6.885 12.941 0.689 1.00 0.00 O ATOM 706 CB GLU A 51 4.817 14.781 2.274 1.00 0.00 C ATOM 707 CG GLU A 51 3.501 15.544 2.432 1.00 0.00 C ATOM 708 CD GLU A 51 3.754 16.997 2.839 1.00 0.00 C ATOM 709 OE1 GLU A 51 4.192 17.765 1.956 1.00 0.00 O ATOM 710 OE2 GLU A 51 3.502 17.307 4.023 1.00 0.00 O ATOM 0 H GLU A 51 4.345 12.454 3.012 1.00 0.00 H new ATOM 0 HA GLU A 51 3.766 13.799 0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.143 14.406 3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.593 15.458 1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.946 15.517 1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.881 15.055 3.183 1.00 0.00 H new ATOM 715 N GLY A 52 5.692 14.130 -0.821 1.00 0.00 N ATOM 716 CA GLY A 52 6.746 14.129 -1.820 1.00 0.00 C ATOM 717 C GLY A 52 6.936 12.735 -2.417 1.00 0.00 C ATOM 718 O GLY A 52 8.030 12.175 -2.362 1.00 0.00 O ATOM 0 H GLY A 52 4.842 14.620 -1.099 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.502 14.837 -2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.680 14.465 -1.369 1.00 0.00 H new ATOM 722 N LEU A 53 5.853 12.212 -2.976 1.00 0.00 N ATOM 723 CA LEU A 53 5.886 10.893 -3.584 1.00 0.00 C ATOM 724 C LEU A 53 4.673 10.727 -4.500 1.00 0.00 C ATOM 725 O LEU A 53 3.963 11.693 -4.776 1.00 0.00 O ATOM 726 CB LEU A 53 5.997 9.810 -2.508 1.00 0.00 C ATOM 727 CG LEU A 53 7.413 9.335 -2.178 1.00 0.00 C ATOM 728 CD1 LEU A 53 7.380 8.089 -1.290 1.00 0.00 C ATOM 729 CD2 LEU A 53 8.226 9.107 -3.454 1.00 0.00 C ATOM 0 H LEU A 53 4.947 12.679 -3.020 1.00 0.00 H new ATOM 0 HA LEU A 53 6.773 10.783 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.539 10.186 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.411 8.948 -2.827 1.00 0.00 H new ATOM 0 HG LEU A 53 7.914 10.121 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.399 7.772 -1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.863 8.320 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.854 7.287 -1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.229 8.770 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.737 8.349 -4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.292 10.039 -4.015 1.00 0.00 H new ATOM 740 N ALA A 54 4.472 9.496 -4.946 1.00 0.00 N ATOM 741 CA ALA A 54 3.356 9.192 -5.826 1.00 0.00 C ATOM 742 C ALA A 54 3.037 7.699 -5.739 1.00 0.00 C ATOM 743 O ALA A 54 3.941 6.865 -5.743 1.00 0.00 O ATOM 744 CB ALA A 54 3.694 9.634 -7.252 1.00 0.00 C ATOM 0 H ALA A 54 5.063 8.697 -4.715 1.00 0.00 H new ATOM 0 HA ALA A 54 2.465 9.739 -5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.857 9.406 -7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.884 10.707 -7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.582 9.104 -7.596 1.00 0.00 H new ATOM 750 N PHE A 55 1.747 7.406 -5.662 1.00 0.00 N ATOM 751 CA PHE A 55 1.296 6.027 -5.574 1.00 0.00 C ATOM 752 C PHE A 55 1.759 5.220 -6.789 1.00 0.00 C ATOM 753 O PHE A 55 1.267 5.423 -7.898 1.00 0.00 O ATOM 754 CB PHE A 55 -0.233 6.057 -5.550 1.00 0.00 C ATOM 755 CG PHE A 55 -0.886 4.692 -5.780 1.00 0.00 C ATOM 756 CD1 PHE A 55 -0.462 3.609 -5.076 1.00 0.00 C ATOM 757 CD2 PHE A 55 -1.890 4.563 -6.688 1.00 0.00 C ATOM 758 CE1 PHE A 55 -1.068 2.342 -5.289 1.00 0.00 C ATOM 759 CE2 PHE A 55 -2.496 3.297 -6.901 1.00 0.00 C ATOM 760 CZ PHE A 55 -2.072 2.212 -6.197 1.00 0.00 C ATOM 0 H PHE A 55 1.000 8.100 -5.659 1.00 0.00 H new ATOM 0 HA PHE A 55 1.708 5.557 -4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.563 6.449 -4.588 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.585 6.750 -6.314 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.335 3.712 -4.355 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.226 5.424 -7.247 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.731 1.482 -4.730 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.294 3.195 -7.622 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.533 1.249 -6.359 1.00 0.00 H new ATOM 769 N ARG A 56 2.701 4.322 -6.539 1.00 0.00 N ATOM 770 CA ARG A 56 3.236 3.484 -7.598 1.00 0.00 C ATOM 771 C ARG A 56 3.997 2.297 -7.002 1.00 0.00 C ATOM 772 O ARG A 56 4.174 2.215 -5.788 1.00 0.00 O ATOM 773 CB ARG A 56 4.175 4.279 -8.508 1.00 0.00 C ATOM 774 CG ARG A 56 4.900 5.375 -7.724 1.00 0.00 C ATOM 775 CD ARG A 56 6.335 5.551 -8.226 1.00 0.00 C ATOM 776 NE ARG A 56 6.329 6.184 -9.563 1.00 0.00 N ATOM 777 CZ ARG A 56 7.434 6.439 -10.279 1.00 0.00 C ATOM 778 NH1 ARG A 56 8.638 6.115 -9.789 1.00 0.00 N ATOM 779 NH2 ARG A 56 7.333 7.018 -11.483 1.00 0.00 N ATOM 0 H ARG A 56 3.107 4.157 -5.618 1.00 0.00 H new ATOM 0 HA ARG A 56 2.396 3.121 -8.190 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.905 3.607 -8.960 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.606 4.726 -9.323 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.359 6.316 -7.822 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.910 5.122 -6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.901 6.166 -7.526 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.833 4.583 -8.275 1.00 0.00 H new ATOM 0 HE ARG A 56 5.428 6.443 -9.965 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.714 5.675 -8.872 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.479 6.309 -10.333 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.416 7.265 -11.855 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.173 7.212 -12.028 1.00 0.00 H new ATOM 790 N ARG A 57 4.427 1.408 -7.885 1.00 0.00 N ATOM 791 CA ARG A 57 5.164 0.230 -7.462 1.00 0.00 C ATOM 792 C ARG A 57 6.234 0.613 -6.438 1.00 0.00 C ATOM 793 O ARG A 57 6.827 1.687 -6.527 1.00 0.00 O ATOM 794 CB ARG A 57 5.832 -0.459 -8.655 1.00 0.00 C ATOM 795 CG ARG A 57 4.966 -1.605 -9.181 1.00 0.00 C ATOM 796 CD ARG A 57 4.941 -2.774 -8.193 1.00 0.00 C ATOM 797 NE ARG A 57 4.239 -3.929 -8.793 1.00 0.00 N ATOM 798 CZ ARG A 57 4.716 -4.647 -9.820 1.00 0.00 C ATOM 799 NH1 ARG A 57 5.898 -4.332 -10.366 1.00 0.00 N ATOM 800 NH2 ARG A 57 4.009 -5.679 -10.300 1.00 0.00 N ATOM 0 H ARG A 57 4.279 1.480 -8.892 1.00 0.00 H new ATOM 0 HA ARG A 57 4.454 -0.461 -7.009 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.003 0.267 -9.450 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.808 -0.843 -8.358 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.950 -1.248 -9.353 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.352 -1.945 -10.142 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.959 -3.056 -7.925 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.441 -2.472 -7.273 1.00 0.00 H new ATOM 0 HE ARG A 57 3.336 -4.196 -8.401 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.435 -3.546 -10.000 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.261 -4.878 -11.147 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.109 -5.918 -9.884 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.371 -6.226 -11.081 1.00 0.00 H new ATOM 811 N PRO A 58 6.455 -0.311 -5.465 1.00 0.00 N ATOM 812 CA PRO A 58 7.443 -0.081 -4.424 1.00 0.00 C ATOM 813 C PRO A 58 8.863 -0.262 -4.968 1.00 0.00 C ATOM 814 O PRO A 58 9.834 0.106 -4.310 1.00 0.00 O ATOM 815 CB PRO A 58 7.096 -1.071 -3.326 1.00 0.00 C ATOM 816 CG PRO A 58 6.222 -2.130 -3.979 1.00 0.00 C ATOM 817 CD PRO A 58 5.772 -1.594 -5.329 1.00 0.00 C ATOM 0 HA PRO A 58 7.422 0.939 -4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.997 -1.515 -2.902 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.568 -0.579 -2.509 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.777 -3.060 -4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.360 -2.355 -3.351 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.044 -2.275 -6.136 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.689 -1.472 -5.366 1.00 0.00 H new ATOM 822 N ALA A 59 8.937 -0.830 -6.162 1.00 0.00 N ATOM 823 CA ALA A 59 10.221 -1.066 -6.800 1.00 0.00 C ATOM 824 C ALA A 59 10.600 0.157 -7.639 1.00 0.00 C ATOM 825 O ALA A 59 11.738 0.276 -8.089 1.00 0.00 O ATOM 826 CB ALA A 59 10.149 -2.346 -7.634 1.00 0.00 C ATOM 0 H ALA A 59 8.129 -1.134 -6.705 1.00 0.00 H new ATOM 0 HA ALA A 59 11.001 -1.208 -6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.112 -2.523 -8.113 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.905 -3.189 -6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.378 -2.240 -8.398 1.00 0.00 H new ATOM 832 N GLU A 60 9.624 1.034 -7.822 1.00 0.00 N ATOM 833 CA GLU A 60 9.841 2.243 -8.599 1.00 0.00 C ATOM 834 C GLU A 60 10.170 3.416 -7.673 1.00 0.00 C ATOM 835 O GLU A 60 10.626 4.463 -8.130 1.00 0.00 O ATOM 836 CB GLU A 60 8.627 2.558 -9.475 1.00 0.00 C ATOM 837 CG GLU A 60 8.339 1.411 -10.446 1.00 0.00 C ATOM 838 CD GLU A 60 7.336 1.840 -11.518 1.00 0.00 C ATOM 839 OE1 GLU A 60 6.124 1.786 -11.216 1.00 0.00 O ATOM 840 OE2 GLU A 60 7.804 2.211 -12.616 1.00 0.00 O ATOM 0 H GLU A 60 8.681 0.932 -7.446 1.00 0.00 H new ATOM 0 HA GLU A 60 10.691 2.079 -9.261 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.755 2.733 -8.845 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.806 3.476 -10.034 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.267 1.088 -10.919 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.946 0.555 -9.897 1.00 0.00 H new ATOM 845 N TYR A 61 9.922 3.203 -6.389 1.00 0.00 N ATOM 846 CA TYR A 61 10.185 4.230 -5.396 1.00 0.00 C ATOM 847 C TYR A 61 11.683 4.332 -5.096 1.00 0.00 C ATOM 848 O TYR A 61 12.454 3.445 -5.459 1.00 0.00 O ATOM 849 CB TYR A 61 9.453 3.787 -4.127 1.00 0.00 C ATOM 850 CG TYR A 61 8.069 4.417 -3.957 1.00 0.00 C ATOM 851 CD1 TYR A 61 7.869 5.743 -4.280 1.00 0.00 C ATOM 852 CD2 TYR A 61 7.020 3.658 -3.480 1.00 0.00 C ATOM 853 CE1 TYR A 61 6.567 6.336 -4.119 1.00 0.00 C ATOM 854 CE2 TYR A 61 5.718 4.249 -3.319 1.00 0.00 C ATOM 855 CZ TYR A 61 5.555 5.560 -3.647 1.00 0.00 C ATOM 856 OH TYR A 61 4.325 6.120 -3.495 1.00 0.00 O ATOM 0 H TYR A 61 9.542 2.334 -6.014 1.00 0.00 H new ATOM 0 HA TYR A 61 9.851 5.204 -5.754 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.348 2.702 -4.140 1.00 0.00 H new ATOM 0 HB3 TYR A 61 10.065 4.038 -3.260 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.690 6.337 -4.654 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.176 2.620 -3.227 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.398 7.373 -4.367 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.889 3.666 -2.946 1.00 0.00 H new ATOM 0 HH TYR A 61 3.797 5.976 -4.308 1.00 0.00 H new ATOM 865 N ASP A 62 12.049 5.421 -4.436 1.00 0.00 N ATOM 866 CA ASP A 62 13.439 5.651 -4.084 1.00 0.00 C ATOM 867 C ASP A 62 13.749 4.945 -2.762 1.00 0.00 C ATOM 868 O ASP A 62 12.882 4.289 -2.187 1.00 0.00 O ATOM 869 CB ASP A 62 13.722 7.144 -3.900 1.00 0.00 C ATOM 870 CG ASP A 62 12.612 8.076 -4.390 1.00 0.00 C ATOM 871 OD1 ASP A 62 12.224 7.926 -5.568 1.00 0.00 O ATOM 872 OD2 ASP A 62 12.178 8.919 -3.575 1.00 0.00 O ATOM 0 H ASP A 62 11.406 6.154 -4.136 1.00 0.00 H new ATOM 0 HA ASP A 62 14.060 5.264 -4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.898 7.338 -2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.643 7.392 -4.427 1.00 0.00 H new ATOM 876 N PRO A 63 15.020 5.108 -2.308 1.00 0.00 N ATOM 877 CA PRO A 63 15.455 4.495 -1.064 1.00 0.00 C ATOM 878 C PRO A 63 14.891 5.244 0.144 1.00 0.00 C ATOM 879 O PRO A 63 14.405 4.626 1.090 1.00 0.00 O ATOM 880 CB PRO A 63 16.974 4.520 -1.123 1.00 0.00 C ATOM 881 CG PRO A 63 17.333 5.559 -2.173 1.00 0.00 C ATOM 882 CD PRO A 63 16.073 5.878 -2.963 1.00 0.00 C ATOM 0 HA PRO A 63 15.091 3.474 -0.949 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.398 4.782 -0.154 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.371 3.541 -1.391 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.726 6.459 -1.701 1.00 0.00 H new ATOM 0 HG3 PRO A 63 18.112 5.180 -2.834 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.853 6.945 -2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 63 16.179 5.593 -4.010 1.00 0.00 H new ATOM 887 N LYS A 64 14.974 6.564 0.072 1.00 0.00 N ATOM 888 CA LYS A 64 14.478 7.405 1.149 1.00 0.00 C ATOM 889 C LYS A 64 12.948 7.361 1.160 1.00 0.00 C ATOM 890 O LYS A 64 12.324 7.619 2.188 1.00 0.00 O ATOM 891 CB LYS A 64 15.052 8.818 1.033 1.00 0.00 C ATOM 892 CG LYS A 64 16.460 8.889 1.627 1.00 0.00 C ATOM 893 CD LYS A 64 17.511 8.476 0.593 1.00 0.00 C ATOM 894 CE LYS A 64 18.906 8.433 1.220 1.00 0.00 C ATOM 895 NZ LYS A 64 19.448 7.056 1.182 1.00 0.00 N ATOM 0 H LYS A 64 15.377 7.072 -0.715 1.00 0.00 H new ATOM 0 HA LYS A 64 14.816 7.028 2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.080 9.118 -0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.400 9.523 1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.663 9.903 1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.525 8.237 2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.261 7.497 0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.504 9.179 -0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.573 9.108 0.684 1.00 0.00 H new ATOM 0 HE3 LYS A 64 18.859 8.784 2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.395 7.044 1.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.819 6.421 1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 19.511 6.735 0.195 1.00 0.00 H new ATOM 905 N ALA A 65 12.388 7.030 0.006 1.00 0.00 N ATOM 906 CA ALA A 65 10.944 6.950 -0.130 1.00 0.00 C ATOM 907 C ALA A 65 10.424 5.769 0.693 1.00 0.00 C ATOM 908 O ALA A 65 9.608 5.948 1.596 1.00 0.00 O ATOM 909 CB ALA A 65 10.576 6.835 -1.611 1.00 0.00 C ATOM 0 H ALA A 65 12.909 6.814 -0.844 1.00 0.00 H new ATOM 0 HA ALA A 65 10.471 7.854 0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.492 6.775 -1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.943 7.711 -2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.030 5.937 -2.030 1.00 0.00 H new ATOM 915 N LEU A 66 10.918 4.588 0.353 1.00 0.00 N ATOM 916 CA LEU A 66 10.515 3.378 1.049 1.00 0.00 C ATOM 917 C LEU A 66 10.568 3.622 2.558 1.00 0.00 C ATOM 918 O LEU A 66 9.675 3.198 3.291 1.00 0.00 O ATOM 919 CB LEU A 66 11.358 2.188 0.588 1.00 0.00 C ATOM 920 CG LEU A 66 11.307 1.869 -0.908 1.00 0.00 C ATOM 921 CD1 LEU A 66 12.383 0.848 -1.286 1.00 0.00 C ATOM 922 CD2 LEU A 66 9.909 1.408 -1.323 1.00 0.00 C ATOM 0 H LEU A 66 11.595 4.443 -0.396 1.00 0.00 H new ATOM 0 HA LEU A 66 9.484 3.122 0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.396 2.375 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.035 1.305 1.139 1.00 0.00 H new ATOM 0 HG LEU A 66 11.521 2.784 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.326 0.638 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.367 1.251 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.223 -0.073 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.900 1.188 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.641 0.511 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.187 2.197 -1.109 1.00 0.00 H new ATOM 933 N MET A 67 11.623 4.305 2.979 1.00 0.00 N ATOM 934 CA MET A 67 11.803 4.610 4.388 1.00 0.00 C ATOM 935 C MET A 67 10.763 5.625 4.867 1.00 0.00 C ATOM 936 O MET A 67 10.352 5.598 6.026 1.00 0.00 O ATOM 937 CB MET A 67 13.208 5.174 4.612 1.00 0.00 C ATOM 938 CG MET A 67 14.234 4.048 4.750 1.00 0.00 C ATOM 939 SD MET A 67 15.885 4.727 4.782 1.00 0.00 S ATOM 940 CE MET A 67 16.339 4.516 3.068 1.00 0.00 C ATOM 0 H MET A 67 12.361 4.656 2.369 1.00 0.00 H new ATOM 0 HA MET A 67 11.675 3.690 4.959 1.00 0.00 H new ATOM 0 HB2 MET A 67 13.482 5.820 3.778 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.217 5.792 5.510 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.046 3.484 5.663 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.135 3.350 3.918 1.00 0.00 H new ATOM 0 HE1 MET A 67 17.328 4.061 3.007 1.00 0.00 H new ATOM 0 HE2 MET A 67 15.611 3.871 2.576 1.00 0.00 H new ATOM 0 HE3 MET A 67 16.355 5.487 2.574 1.00 0.00 H new ATOM 948 N ALA A 68 10.368 6.496 3.950 1.00 0.00 N ATOM 949 CA ALA A 68 9.383 7.518 4.264 1.00 0.00 C ATOM 950 C ALA A 68 7.987 6.892 4.267 1.00 0.00 C ATOM 951 O ALA A 68 7.070 7.413 4.899 1.00 0.00 O ATOM 952 CB ALA A 68 9.505 8.669 3.263 1.00 0.00 C ATOM 0 H ALA A 68 10.712 6.515 2.990 1.00 0.00 H new ATOM 0 HA ALA A 68 9.561 7.930 5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.767 9.435 3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.505 9.098 3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.330 8.294 2.254 1.00 0.00 H new ATOM 958 N ILE A 69 7.870 5.782 3.551 1.00 0.00 N ATOM 959 CA ILE A 69 6.602 5.080 3.463 1.00 0.00 C ATOM 960 C ILE A 69 6.356 4.312 4.764 1.00 0.00 C ATOM 961 O ILE A 69 5.251 4.331 5.301 1.00 0.00 O ATOM 962 CB ILE A 69 6.563 4.199 2.212 1.00 0.00 C ATOM 963 CG1 ILE A 69 6.690 5.044 0.943 1.00 0.00 C ATOM 964 CG2 ILE A 69 5.307 3.324 2.196 1.00 0.00 C ATOM 965 CD1 ILE A 69 7.458 4.288 -0.143 1.00 0.00 C ATOM 0 H ILE A 69 8.633 5.353 3.027 1.00 0.00 H new ATOM 0 HA ILE A 69 5.782 5.789 3.352 1.00 0.00 H new ATOM 0 HB ILE A 69 7.422 3.528 2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.698 5.307 0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.203 5.978 1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.304 2.708 1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.300 2.681 3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.421 3.959 2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.534 4.910 -1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.458 4.048 0.219 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.930 3.367 -0.388 1.00 0.00 H new ATOM 976 N LEU A 70 7.407 3.655 5.233 1.00 0.00 N ATOM 977 CA LEU A 70 7.321 2.883 6.460 1.00 0.00 C ATOM 978 C LEU A 70 7.066 3.828 7.636 1.00 0.00 C ATOM 979 O LEU A 70 6.401 3.457 8.602 1.00 0.00 O ATOM 980 CB LEU A 70 8.565 2.009 6.633 1.00 0.00 C ATOM 981 CG LEU A 70 8.980 1.184 5.412 1.00 0.00 C ATOM 982 CD1 LEU A 70 10.502 1.049 5.334 1.00 0.00 C ATOM 983 CD2 LEU A 70 8.283 -0.178 5.407 1.00 0.00 C ATOM 0 H LEU A 70 8.323 3.642 4.784 1.00 0.00 H new ATOM 0 HA LEU A 70 6.479 2.193 6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.400 2.651 6.914 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.393 1.327 7.466 1.00 0.00 H new ATOM 0 HG LEU A 70 8.657 1.714 4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.770 0.459 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.952 2.039 5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.870 0.553 6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.596 -0.743 4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.553 -0.728 6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.203 -0.034 5.380 1.00 0.00 H new ATOM 994 N GLU A 71 7.607 5.031 7.514 1.00 0.00 N ATOM 995 CA GLU A 71 7.447 6.032 8.555 1.00 0.00 C ATOM 996 C GLU A 71 6.064 6.680 8.460 1.00 0.00 C ATOM 997 O GLU A 71 5.422 6.935 9.477 1.00 0.00 O ATOM 998 CB GLU A 71 8.552 7.087 8.477 1.00 0.00 C ATOM 999 CG GLU A 71 9.849 6.569 9.100 1.00 0.00 C ATOM 1000 CD GLU A 71 10.938 7.644 9.075 1.00 0.00 C ATOM 1001 OE1 GLU A 71 11.628 7.728 8.035 1.00 0.00 O ATOM 1002 OE2 GLU A 71 11.056 8.357 10.094 1.00 0.00 O ATOM 0 H GLU A 71 8.157 5.335 6.710 1.00 0.00 H new ATOM 0 HA GLU A 71 7.530 5.537 9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.728 7.359 7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.233 7.992 8.993 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.664 6.258 10.128 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.191 5.688 8.557 1.00 0.00 H new ATOM 1007 N HIS A 72 5.645 6.926 7.227 1.00 0.00 N ATOM 1008 CA HIS A 72 4.350 7.538 6.986 1.00 0.00 C ATOM 1009 C HIS A 72 3.262 6.463 7.005 1.00 0.00 C ATOM 1010 O HIS A 72 2.072 6.778 7.011 1.00 0.00 O ATOM 1011 CB HIS A 72 4.364 8.344 5.684 1.00 0.00 C ATOM 1012 CG HIS A 72 5.266 9.555 5.721 1.00 0.00 C ATOM 1013 ND1 HIS A 72 4.855 10.809 5.307 1.00 0.00 N ATOM 1014 CD2 HIS A 72 6.561 9.688 6.128 1.00 0.00 C ATOM 1015 CE1 HIS A 72 5.865 11.652 5.462 1.00 0.00 C ATOM 1016 NE2 HIS A 72 6.921 10.956 5.969 1.00 0.00 N ATOM 0 H HIS A 72 6.180 6.713 6.385 1.00 0.00 H new ATOM 0 HA HIS A 72 4.125 8.247 7.783 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.680 7.693 4.869 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.348 8.667 5.458 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.187 8.897 6.514 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.853 12.706 5.228 1.00 0.00 H new ATOM 0 HE2 HIS A 72 7.838 11.345 6.190 1.00 0.00 H new ATOM 1023 N SER A 73 3.707 5.215 7.014 1.00 0.00 N ATOM 1024 CA SER A 73 2.787 4.091 7.033 1.00 0.00 C ATOM 1025 C SER A 73 1.814 4.231 8.207 1.00 0.00 C ATOM 1026 O SER A 73 0.789 3.554 8.251 1.00 0.00 O ATOM 1027 CB SER A 73 3.541 2.764 7.124 1.00 0.00 C ATOM 1028 OG SER A 73 3.490 2.209 8.435 1.00 0.00 O ATOM 0 H SER A 73 4.694 4.958 7.008 1.00 0.00 H new ATOM 0 HA SER A 73 2.224 4.094 6.100 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.115 2.056 6.414 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.581 2.918 6.836 1.00 0.00 H new ATOM 0 HG SER A 73 4.317 2.425 8.914 1.00 0.00 H new ATOM 1033 N HIS A 74 2.172 5.113 9.128 1.00 0.00 N ATOM 1034 CA HIS A 74 1.344 5.350 10.298 1.00 0.00 C ATOM 1035 C HIS A 74 0.045 6.039 9.876 1.00 0.00 C ATOM 1036 O HIS A 74 -0.931 6.042 10.625 1.00 0.00 O ATOM 1037 CB HIS A 74 2.115 6.138 11.359 1.00 0.00 C ATOM 1038 CG HIS A 74 2.309 7.597 11.021 1.00 0.00 C ATOM 1039 ND1 HIS A 74 3.507 8.105 10.550 1.00 0.00 N ATOM 1040 CD2 HIS A 74 1.444 8.650 11.091 1.00 0.00 C ATOM 1041 CE1 HIS A 74 3.358 9.406 10.349 1.00 0.00 C ATOM 1042 NE2 HIS A 74 2.080 9.742 10.685 1.00 0.00 N ATOM 0 H HIS A 74 3.024 5.672 9.088 1.00 0.00 H new ATOM 0 HA HIS A 74 1.077 4.398 10.758 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.585 6.063 12.309 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.092 5.676 11.502 1.00 0.00 H new ATOM 0 HD1 HIS A 74 4.359 7.569 10.386 1.00 0.00 H new ATOM 0 HD2 HIS A 74 0.417 8.603 11.421 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.116 10.082 9.983 1.00 0.00 H new ATOM 1049 N ARG A 75 0.074 6.605 8.680 1.00 0.00 N ATOM 1050 CA ARG A 75 -1.089 7.296 8.149 1.00 0.00 C ATOM 1051 C ARG A 75 -1.571 6.616 6.866 1.00 0.00 C ATOM 1052 O ARG A 75 -2.764 6.619 6.568 1.00 0.00 O ATOM 1053 CB ARG A 75 -0.772 8.763 7.853 1.00 0.00 C ATOM 1054 CG ARG A 75 0.703 8.942 7.488 1.00 0.00 C ATOM 1055 CD ARG A 75 1.076 10.424 7.421 1.00 0.00 C ATOM 1056 NE ARG A 75 0.909 10.926 6.039 1.00 0.00 N ATOM 1057 CZ ARG A 75 1.022 12.215 5.689 1.00 0.00 C ATOM 1058 NH1 ARG A 75 1.304 13.140 6.617 1.00 0.00 N ATOM 1059 NH2 ARG A 75 0.854 12.580 4.410 1.00 0.00 N ATOM 0 H ARG A 75 0.885 6.600 8.062 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.874 7.252 8.904 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.399 9.116 7.034 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.012 9.373 8.724 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.328 8.439 8.227 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.903 8.469 6.526 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.448 10.997 8.103 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.107 10.563 7.745 1.00 0.00 H new ATOM 0 HE ARG A 75 0.694 10.249 5.307 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.433 12.863 7.590 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.390 14.121 6.350 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.640 11.877 3.703 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.940 13.561 4.144 1.00 0.00 H new ATOM 1070 N ILE A 76 -0.617 6.050 6.140 1.00 0.00 N ATOM 1071 CA ILE A 76 -0.929 5.369 4.896 1.00 0.00 C ATOM 1072 C ILE A 76 -2.223 4.570 5.067 1.00 0.00 C ATOM 1073 O ILE A 76 -2.276 3.629 5.857 1.00 0.00 O ATOM 1074 CB ILE A 76 0.259 4.521 4.437 1.00 0.00 C ATOM 1075 CG1 ILE A 76 1.474 5.401 4.132 1.00 0.00 C ATOM 1076 CG2 ILE A 76 -0.123 3.640 3.246 1.00 0.00 C ATOM 1077 CD1 ILE A 76 2.543 4.614 3.370 1.00 0.00 C ATOM 0 H ILE A 76 0.372 6.050 6.390 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.103 6.093 4.100 1.00 0.00 H new ATOM 0 HB ILE A 76 0.539 3.855 5.253 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.164 6.264 3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.893 5.784 5.062 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.739 3.048 2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.937 2.974 3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.444 4.269 2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.395 5.262 3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.868 3.765 3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.128 4.253 2.429 1.00 0.00 H new ATOM 1088 N ARG A 77 -3.234 4.976 4.314 1.00 0.00 N ATOM 1089 CA ARG A 77 -4.524 4.310 4.372 1.00 0.00 C ATOM 1090 C ARG A 77 -5.122 4.186 2.968 1.00 0.00 C ATOM 1091 O ARG A 77 -5.042 5.119 2.171 1.00 0.00 O ATOM 1092 CB ARG A 77 -5.500 5.077 5.268 1.00 0.00 C ATOM 1093 CG ARG A 77 -5.531 4.485 6.678 1.00 0.00 C ATOM 1094 CD ARG A 77 -6.411 5.325 7.606 1.00 0.00 C ATOM 1095 NE ARG A 77 -7.050 4.456 8.620 1.00 0.00 N ATOM 1096 CZ ARG A 77 -7.678 4.913 9.711 1.00 0.00 C ATOM 1097 NH1 ARG A 77 -7.756 6.231 9.938 1.00 0.00 N ATOM 1098 NH2 ARG A 77 -8.230 4.051 10.577 1.00 0.00 N ATOM 0 H ARG A 77 -3.186 5.758 3.660 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.365 3.317 4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.207 6.126 5.317 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.499 5.045 4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.909 3.463 6.639 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.518 4.435 7.078 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.810 6.090 8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.174 5.844 7.026 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.009 3.447 8.479 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.337 6.888 9.280 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.235 6.578 10.769 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.172 3.047 10.405 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.708 4.399 11.408 1.00 0.00 H new ATOM 1109 N PHE A 78 -5.707 3.025 2.710 1.00 0.00 N ATOM 1110 CA PHE A 78 -6.318 2.767 1.417 1.00 0.00 C ATOM 1111 C PHE A 78 -7.799 3.145 1.425 1.00 0.00 C ATOM 1112 O PHE A 78 -8.439 3.146 2.477 1.00 0.00 O ATOM 1113 CB PHE A 78 -6.188 1.265 1.154 1.00 0.00 C ATOM 1114 CG PHE A 78 -4.793 0.831 0.699 1.00 0.00 C ATOM 1115 CD1 PHE A 78 -3.698 1.201 1.414 1.00 0.00 C ATOM 1116 CD2 PHE A 78 -4.649 0.075 -0.423 1.00 0.00 C ATOM 1117 CE1 PHE A 78 -2.404 0.799 0.992 1.00 0.00 C ATOM 1118 CE2 PHE A 78 -3.355 -0.328 -0.846 1.00 0.00 C ATOM 1119 CZ PHE A 78 -2.259 0.042 -0.129 1.00 0.00 C ATOM 0 H PHE A 78 -5.771 2.253 3.374 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.824 3.360 0.647 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.447 0.724 2.064 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.913 0.976 0.394 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.813 1.802 2.304 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.519 -0.219 -0.992 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.535 1.094 1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.240 -0.928 -1.737 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.275 -0.265 -0.450 1.00 0.00 H new ATOM 1128 N LYS A 79 -8.304 3.458 0.240 1.00 0.00 N ATOM 1129 CA LYS A 79 -9.699 3.838 0.097 1.00 0.00 C ATOM 1130 C LYS A 79 -10.296 3.121 -1.116 1.00 0.00 C ATOM 1131 O LYS A 79 -9.870 3.349 -2.247 1.00 0.00 O ATOM 1132 CB LYS A 79 -9.837 5.360 0.042 1.00 0.00 C ATOM 1133 CG LYS A 79 -10.028 5.944 1.443 1.00 0.00 C ATOM 1134 CD LYS A 79 -11.510 5.989 1.822 1.00 0.00 C ATOM 1135 CE LYS A 79 -12.239 7.092 1.053 1.00 0.00 C ATOM 1136 NZ LYS A 79 -13.681 7.091 1.388 1.00 0.00 N ATOM 0 H LYS A 79 -7.771 3.456 -0.630 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.272 3.521 0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.949 5.793 -0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.685 5.629 -0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.482 5.342 2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.608 6.949 1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.973 5.025 1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.610 6.161 2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.804 8.061 1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.108 6.943 -0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.161 7.846 0.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.096 6.172 1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.801 7.255 2.408 1.00 0.00 H new ATOM 1146 N LEU A 80 -11.274 2.271 -0.839 1.00 0.00 N ATOM 1147 CA LEU A 80 -11.934 1.520 -1.894 1.00 0.00 C ATOM 1148 C LEU A 80 -13.182 2.279 -2.349 1.00 0.00 C ATOM 1149 O LEU A 80 -13.833 2.948 -1.548 1.00 0.00 O ATOM 1150 CB LEU A 80 -12.217 0.089 -1.436 1.00 0.00 C ATOM 1151 CG LEU A 80 -11.042 -0.888 -1.524 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -11.439 -2.270 -1.000 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -10.488 -0.952 -2.948 1.00 0.00 C ATOM 0 H LEU A 80 -11.625 2.086 0.100 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.282 1.428 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.561 0.121 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.039 -0.307 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.241 -0.519 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.587 -2.946 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.749 -2.189 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.264 -2.661 -1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.654 -1.653 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.271 -1.286 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.143 0.037 -3.249 1.00 0.00 H new ATOM 1164 N LYS A 81 -13.478 2.150 -3.634 1.00 0.00 N ATOM 1165 CA LYS A 81 -14.638 2.814 -4.206 1.00 0.00 C ATOM 1166 C LYS A 81 -15.841 2.614 -3.282 1.00 0.00 C ATOM 1167 O LYS A 81 -16.087 1.507 -2.808 1.00 0.00 O ATOM 1168 CB LYS A 81 -14.876 2.338 -5.639 1.00 0.00 C ATOM 1169 CG LYS A 81 -15.448 0.918 -5.656 1.00 0.00 C ATOM 1170 CD LYS A 81 -14.649 0.016 -6.599 1.00 0.00 C ATOM 1171 CE LYS A 81 -14.856 -1.460 -6.254 1.00 0.00 C ATOM 1172 NZ LYS A 81 -13.574 -2.086 -5.863 1.00 0.00 N ATOM 0 H LYS A 81 -12.935 1.595 -4.296 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.466 3.888 -4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.564 3.017 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.939 2.363 -6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.430 0.503 -4.648 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.491 0.946 -5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.956 0.199 -7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.589 0.263 -6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.575 -1.552 -5.440 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.277 -1.984 -7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.733 -3.088 -5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.899 -2.015 -6.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.188 -1.596 -5.031 1.00 0.00 H new