USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 Set 1.1: A 16 LYS NZ :NH3+ -127:sc= 1.16 (180deg=0.981) USER MOD Set 1.2: A 90 TYR OH : rot -137:sc= 1.73 USER MOD Set 2.1: A 35 GLN : amide:sc= -0.803 K(o=-2.5,f=-5.5!) USER MOD Set 2.2: A 37 TYR OH : rot 180:sc= -1.68 USER MOD Single : A 10 LYS NZ :NH3+ -105:sc= -1.19! (180deg=-2.46!) USER MOD Single : A 11 MET CE :methyl -161:sc= -1.11 (180deg=-1.33) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -4.9! C(o=-4.9!,f=-4.7!) USER MOD Single : A 23 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.022) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 26 GLN : amide:sc= -1.3 K(o=-1.3,f=-3.1!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.087 K(o=-0.087,f=-1.7!) USER MOD Single : A 50 CYS SG : rot 26:sc= 0.747 USER MOD Single : A 51 MET CE :methyl -170:sc= -1.89! (180deg=-2.05!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 50:sc= -2.86! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -32:sc= -0.233 USER MOD Single : A 93 MET CE :methyl -149:sc= -8.33! (180deg=-9.93!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 100 MET CE :methyl 145:sc= -0.358 (180deg=-1.48!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ILE A 9 -6.008 8.786 9.039 1.00 0.00 N ATOM 81 CA ILE A 9 -7.338 8.216 8.916 1.00 0.00 C ATOM 82 C ILE A 9 -7.289 6.733 9.288 1.00 0.00 C ATOM 83 O ILE A 9 -7.936 6.307 10.244 1.00 0.00 O ATOM 84 CB ILE A 9 -7.908 8.481 7.520 1.00 0.00 C ATOM 85 CG1 ILE A 9 -8.120 9.978 7.290 1.00 0.00 C ATOM 86 CG2 ILE A 9 -9.190 7.678 7.290 1.00 0.00 C ATOM 87 CD1 ILE A 9 -8.024 10.323 5.802 1.00 0.00 C ATOM 0 HA ILE A 9 -8.024 8.698 9.612 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.180 8.142 6.783 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.097 10.274 7.673 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.374 10.544 7.847 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.574 7.884 6.291 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.974 6.614 7.383 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.936 7.963 8.032 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.178 11.393 5.666 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.038 10.048 5.428 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.787 9.773 5.251 1.00 0.00 H new ATOM 99 N LYS A 10 -6.516 5.986 8.514 1.00 0.00 N ATOM 100 CA LYS A 10 -6.374 4.559 8.751 1.00 0.00 C ATOM 101 C LYS A 10 -4.892 4.220 8.921 1.00 0.00 C ATOM 102 O LYS A 10 -4.053 4.680 8.148 1.00 0.00 O ATOM 103 CB LYS A 10 -7.064 3.761 7.643 1.00 0.00 C ATOM 104 CG LYS A 10 -6.847 2.258 7.833 1.00 0.00 C ATOM 105 CD LYS A 10 -8.124 1.476 7.522 1.00 0.00 C ATOM 106 CE LYS A 10 -7.958 -0.005 7.869 1.00 0.00 C ATOM 107 NZ LYS A 10 -8.660 -0.323 9.133 1.00 0.00 N ATOM 0 H LYS A 10 -5.981 6.342 7.722 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.875 4.275 9.676 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.132 3.981 7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.675 4.068 6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.041 1.918 7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.535 2.059 8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.957 1.894 8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.370 1.580 6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.354 -0.620 7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.899 -0.246 7.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.964 -0.437 9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.313 0.451 9.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.197 -1.206 9.019 1.00 0.00 H new ATOM 121 N MET A 11 -4.615 3.417 9.938 1.00 0.00 N ATOM 122 CA MET A 11 -3.248 3.011 10.219 1.00 0.00 C ATOM 123 C MET A 11 -3.166 1.505 10.479 1.00 0.00 C ATOM 124 O MET A 11 -3.832 0.989 11.376 1.00 0.00 O ATOM 125 CB MET A 11 -2.732 3.769 11.444 1.00 0.00 C ATOM 126 CG MET A 11 -2.870 5.281 11.250 1.00 0.00 C ATOM 127 SD MET A 11 -3.765 5.992 12.621 1.00 0.00 S ATOM 128 CE MET A 11 -5.432 5.884 11.992 1.00 0.00 C ATOM 0 H MET A 11 -5.313 3.037 10.577 1.00 0.00 H new ATOM 0 HA MET A 11 -2.633 3.245 9.350 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.288 3.460 12.329 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.687 3.515 11.620 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.883 5.738 11.173 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.392 5.490 10.316 1.00 0.00 H new ATOM 0 HE1 MET A 11 -6.075 6.569 12.545 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.440 6.152 10.935 1.00 0.00 H new ATOM 0 HE3 MET A 11 -5.800 4.865 12.111 1.00 0.00 H new ATOM 138 N GLY A 12 -2.345 0.842 9.679 1.00 0.00 N ATOM 139 CA GLY A 12 -2.167 -0.594 9.811 1.00 0.00 C ATOM 140 C GLY A 12 -0.964 -1.075 8.997 1.00 0.00 C ATOM 141 O GLY A 12 -0.445 -0.341 8.158 1.00 0.00 O ATOM 0 H GLY A 12 -1.795 1.273 8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.027 -0.852 10.861 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.067 -1.108 9.474 1.00 0.00 H new ATOM 145 N TRP A 13 -0.557 -2.305 9.274 1.00 0.00 N ATOM 146 CA TRP A 13 0.575 -2.893 8.578 1.00 0.00 C ATOM 147 C TRP A 13 0.062 -3.499 7.270 1.00 0.00 C ATOM 148 O TRP A 13 -0.898 -4.268 7.272 1.00 0.00 O ATOM 149 CB TRP A 13 1.297 -3.908 9.465 1.00 0.00 C ATOM 150 CG TRP A 13 2.261 -3.279 10.473 1.00 0.00 C ATOM 151 CD1 TRP A 13 1.978 -2.408 11.452 1.00 0.00 C ATOM 152 CD2 TRP A 13 3.683 -3.509 10.562 1.00 0.00 C ATOM 153 NE1 TRP A 13 3.109 -2.062 12.163 1.00 0.00 N ATOM 154 CE2 TRP A 13 4.179 -2.752 11.605 1.00 0.00 C ATOM 155 CE3 TRP A 13 4.522 -4.329 9.788 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.531 -2.740 11.967 1.00 0.00 C ATOM 157 CZ3 TRP A 13 5.871 -4.305 10.163 1.00 0.00 C ATOM 158 CH2 TRP A 13 6.386 -3.549 11.210 1.00 0.00 C ATOM 0 H TRP A 13 -0.991 -2.911 9.971 1.00 0.00 H new ATOM 0 HA TRP A 13 1.320 -2.133 8.341 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.555 -4.496 10.005 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.851 -4.600 8.831 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.989 -2.025 11.658 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.152 -1.418 12.953 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.155 -4.930 8.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.895 -2.138 12.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.560 -4.917 9.599 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.441 -3.586 11.438 1.00 0.00 H new ATOM 169 N LEU A 14 0.726 -3.132 6.184 1.00 0.00 N ATOM 170 CA LEU A 14 0.350 -3.630 4.872 1.00 0.00 C ATOM 171 C LEU A 14 1.595 -4.158 4.156 1.00 0.00 C ATOM 172 O LEU A 14 2.702 -3.680 4.394 1.00 0.00 O ATOM 173 CB LEU A 14 -0.402 -2.555 4.086 1.00 0.00 C ATOM 174 CG LEU A 14 -1.900 -2.439 4.373 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.481 -1.167 3.751 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.646 -3.693 3.914 1.00 0.00 C ATOM 0 H LEU A 14 1.523 -2.495 6.186 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.343 -4.466 4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.063 -1.591 4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.270 -2.752 3.022 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.035 -2.361 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.547 -1.109 3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.977 -0.295 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.333 -1.190 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.709 -3.584 4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.506 -3.828 2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.256 -4.563 4.443 1.00 0.00 H new ATOM 188 N LYS A 15 1.370 -5.138 3.292 1.00 0.00 N ATOM 189 CA LYS A 15 2.460 -5.736 2.539 1.00 0.00 C ATOM 190 C LYS A 15 2.711 -4.915 1.273 1.00 0.00 C ATOM 191 O LYS A 15 1.768 -4.488 0.609 1.00 0.00 O ATOM 192 CB LYS A 15 2.174 -7.214 2.266 1.00 0.00 C ATOM 193 CG LYS A 15 3.072 -8.113 3.119 1.00 0.00 C ATOM 194 CD LYS A 15 2.927 -9.580 2.710 1.00 0.00 C ATOM 195 CE LYS A 15 2.268 -10.397 3.823 1.00 0.00 C ATOM 196 NZ LYS A 15 2.804 -11.776 3.841 1.00 0.00 N ATOM 0 H LYS A 15 0.450 -5.532 3.097 1.00 0.00 H new ATOM 0 HA LYS A 15 3.381 -5.715 3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.128 -7.431 2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.335 -7.430 1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.111 -7.803 3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.813 -7.998 4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.330 -9.650 1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.908 -9.996 2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.445 -9.919 4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.189 -10.422 3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.346 -12.317 4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.613 -12.235 2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.830 -11.747 4.006 1.00 0.00 H new ATOM 210 N LYS A 16 3.987 -4.717 0.978 1.00 0.00 N ATOM 211 CA LYS A 16 4.374 -3.955 -0.197 1.00 0.00 C ATOM 212 C LYS A 16 5.520 -4.673 -0.912 1.00 0.00 C ATOM 213 O LYS A 16 6.606 -4.825 -0.354 1.00 0.00 O ATOM 214 CB LYS A 16 4.699 -2.509 0.186 1.00 0.00 C ATOM 215 CG LYS A 16 5.814 -1.945 -0.697 1.00 0.00 C ATOM 216 CD LYS A 16 6.220 -0.543 -0.238 1.00 0.00 C ATOM 217 CE LYS A 16 6.319 0.415 -1.426 1.00 0.00 C ATOM 218 NZ LYS A 16 7.283 1.501 -1.137 1.00 0.00 N ATOM 0 H LYS A 16 4.766 -5.071 1.532 1.00 0.00 H new ATOM 0 HA LYS A 16 3.545 -3.896 -0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.805 -1.893 0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.002 -2.465 1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.679 -2.607 -0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.479 -1.910 -1.734 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.490 -0.165 0.478 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.179 -0.589 0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.633 -0.131 -2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.338 0.839 -1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.828 2.422 -1.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.590 1.438 -0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.109 1.407 -1.762 1.00 0.00 H new ATOM 232 N GLN A 17 5.239 -5.096 -2.135 1.00 0.00 N ATOM 233 CA GLN A 17 6.232 -5.796 -2.932 1.00 0.00 C ATOM 234 C GLN A 17 7.594 -5.109 -2.805 1.00 0.00 C ATOM 235 O GLN A 17 7.667 -3.918 -2.506 1.00 0.00 O ATOM 236 CB GLN A 17 5.798 -5.884 -4.397 1.00 0.00 C ATOM 237 CG GLN A 17 6.214 -7.221 -5.013 1.00 0.00 C ATOM 238 CD GLN A 17 5.002 -7.966 -5.575 1.00 0.00 C ATOM 239 OE1 GLN A 17 4.057 -8.286 -4.873 1.00 0.00 O ATOM 240 NE2 GLN A 17 5.082 -8.224 -6.878 1.00 0.00 N ATOM 0 H GLN A 17 4.337 -4.968 -2.594 1.00 0.00 H new ATOM 0 HA GLN A 17 6.322 -6.814 -2.552 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.716 -5.768 -4.467 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.244 -5.065 -4.962 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.940 -7.049 -5.807 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.706 -7.836 -4.259 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.902 -7.928 -7.407 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.323 -8.718 -7.348 1.00 0.00 H new ATOM 341 N ASN A 23 8.725 -10.723 -3.990 1.00 0.00 N ATOM 342 CA ASN A 23 8.657 -10.828 -2.542 1.00 0.00 C ATOM 343 C ASN A 23 7.851 -9.651 -1.988 1.00 0.00 C ATOM 344 O ASN A 23 7.881 -8.555 -2.546 1.00 0.00 O ATOM 345 CB ASN A 23 10.053 -10.780 -1.920 1.00 0.00 C ATOM 346 CG ASN A 23 10.343 -12.054 -1.124 1.00 0.00 C ATOM 347 OD1 ASN A 23 10.708 -12.021 0.040 1.00 0.00 O ATOM 348 ND2 ASN A 23 10.162 -13.176 -1.815 1.00 0.00 N ATOM 0 HA ASN A 23 8.185 -11.779 -2.294 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.800 -10.659 -2.704 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.134 -9.912 -1.266 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.330 -14.080 -1.373 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.855 -13.133 -2.787 1.00 0.00 H new ATOM 355 N TRP A 24 7.149 -9.918 -0.896 1.00 0.00 N ATOM 356 CA TRP A 24 6.337 -8.895 -0.260 1.00 0.00 C ATOM 357 C TRP A 24 7.037 -8.471 1.033 1.00 0.00 C ATOM 358 O TRP A 24 7.595 -9.306 1.744 1.00 0.00 O ATOM 359 CB TRP A 24 4.909 -9.393 -0.030 1.00 0.00 C ATOM 360 CG TRP A 24 4.184 -9.818 -1.309 1.00 0.00 C ATOM 361 CD1 TRP A 24 4.339 -10.951 -2.008 1.00 0.00 C ATOM 362 CD2 TRP A 24 3.179 -9.064 -2.018 1.00 0.00 C ATOM 363 NE1 TRP A 24 3.511 -10.983 -3.111 1.00 0.00 N ATOM 364 CE2 TRP A 24 2.782 -9.799 -3.117 1.00 0.00 C ATOM 365 CE3 TRP A 24 2.622 -7.804 -1.741 1.00 0.00 C ATOM 366 CZ2 TRP A 24 1.813 -9.357 -4.026 1.00 0.00 C ATOM 367 CZ3 TRP A 24 1.655 -7.376 -2.658 1.00 0.00 C ATOM 368 CH2 TRP A 24 1.245 -8.104 -3.769 1.00 0.00 C ATOM 0 H TRP A 24 7.126 -10.828 -0.436 1.00 0.00 H new ATOM 0 HA TRP A 24 6.241 -8.023 -0.906 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.936 -10.238 0.658 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.334 -8.605 0.456 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.026 -11.740 -1.741 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.446 -11.736 -3.796 1.00 0.00 H new ATOM 0 HE3 TRP A 24 2.917 -7.212 -0.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.520 -9.951 -4.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.195 -6.413 -2.491 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.491 -7.704 -4.431 1.00 0.00 H new ATOM 379 N GLN A 25 6.986 -7.174 1.299 1.00 0.00 N ATOM 380 CA GLN A 25 7.608 -6.630 2.493 1.00 0.00 C ATOM 381 C GLN A 25 6.551 -6.003 3.404 1.00 0.00 C ATOM 382 O GLN A 25 5.983 -4.962 3.077 1.00 0.00 O ATOM 383 CB GLN A 25 8.692 -5.613 2.131 1.00 0.00 C ATOM 384 CG GLN A 25 10.053 -6.295 1.974 1.00 0.00 C ATOM 385 CD GLN A 25 11.190 -5.274 2.051 1.00 0.00 C ATOM 386 OE1 GLN A 25 11.065 -4.134 1.632 1.00 0.00 O ATOM 387 NE2 GLN A 25 12.303 -5.744 2.607 1.00 0.00 N ATOM 0 H GLN A 25 6.523 -6.484 0.707 1.00 0.00 H new ATOM 0 HA GLN A 25 8.087 -7.446 3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.426 -5.107 1.203 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.752 -4.848 2.905 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.180 -7.045 2.754 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.093 -6.818 1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.340 -6.708 2.937 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.119 -5.140 2.704 1.00 0.00 H new ATOM 396 N GLN A 26 6.318 -6.664 4.529 1.00 0.00 N ATOM 397 CA GLN A 26 5.339 -6.184 5.489 1.00 0.00 C ATOM 398 C GLN A 26 5.809 -4.870 6.117 1.00 0.00 C ATOM 399 O GLN A 26 6.638 -4.874 7.025 1.00 0.00 O ATOM 400 CB GLN A 26 5.064 -7.238 6.564 1.00 0.00 C ATOM 401 CG GLN A 26 3.755 -6.942 7.300 1.00 0.00 C ATOM 402 CD GLN A 26 2.734 -8.059 7.073 1.00 0.00 C ATOM 403 OE1 GLN A 26 1.902 -8.003 6.183 1.00 0.00 O ATOM 404 NE2 GLN A 26 2.845 -9.074 7.925 1.00 0.00 N ATOM 0 H GLN A 26 6.790 -7.528 4.797 1.00 0.00 H new ATOM 0 HA GLN A 26 4.404 -5.997 4.961 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.012 -8.225 6.105 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.889 -7.260 7.276 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.950 -6.834 8.367 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.345 -5.994 6.953 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.565 -9.057 8.647 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.210 -9.869 7.856 1.00 0.00 H new ATOM 413 N ARG A 27 5.260 -3.778 5.606 1.00 0.00 N ATOM 414 CA ARG A 27 5.613 -2.460 6.105 1.00 0.00 C ATOM 415 C ARG A 27 4.369 -1.739 6.627 1.00 0.00 C ATOM 416 O ARG A 27 3.247 -2.089 6.266 1.00 0.00 O ATOM 417 CB ARG A 27 6.263 -1.612 5.010 1.00 0.00 C ATOM 418 CG ARG A 27 7.394 -0.754 5.580 1.00 0.00 C ATOM 419 CD ARG A 27 8.757 -1.397 5.316 1.00 0.00 C ATOM 420 NE ARG A 27 9.067 -2.380 6.378 1.00 0.00 N ATOM 421 CZ ARG A 27 10.058 -3.279 6.304 1.00 0.00 C ATOM 422 NH1 ARG A 27 10.841 -3.325 5.217 1.00 0.00 N ATOM 423 NH2 ARG A 27 10.266 -4.132 7.316 1.00 0.00 N ATOM 0 H ARG A 27 4.573 -3.779 4.852 1.00 0.00 H new ATOM 0 HA ARG A 27 6.327 -2.594 6.917 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.654 -2.261 4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.512 -0.971 4.548 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.363 0.239 5.131 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.251 -0.624 6.653 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.754 -1.889 4.343 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.530 -0.629 5.283 1.00 0.00 H new ATOM 0 HE ARG A 27 8.490 -2.373 7.219 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.682 -2.676 4.446 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.595 -4.009 5.160 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.670 -4.097 8.143 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.020 -4.816 7.259 1.00 0.00 H new ATOM 437 N TYR A 28 4.610 -0.745 7.469 1.00 0.00 N ATOM 438 CA TYR A 28 3.522 0.029 8.045 1.00 0.00 C ATOM 439 C TYR A 28 2.942 1.005 7.020 1.00 0.00 C ATOM 440 O TYR A 28 3.685 1.666 6.296 1.00 0.00 O ATOM 441 CB TYR A 28 4.135 0.824 9.199 1.00 0.00 C ATOM 442 CG TYR A 28 3.218 0.964 10.415 1.00 0.00 C ATOM 443 CD1 TYR A 28 1.887 1.286 10.242 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.721 0.767 11.685 1.00 0.00 C ATOM 445 CE1 TYR A 28 1.023 1.417 11.387 1.00 0.00 C ATOM 446 CE2 TYR A 28 2.857 0.899 12.830 1.00 0.00 C ATOM 447 CZ TYR A 28 1.551 1.217 12.624 1.00 0.00 C ATOM 448 OH TYR A 28 0.735 1.341 13.705 1.00 0.00 O ATOM 0 H TYR A 28 5.542 -0.457 7.767 1.00 0.00 H new ATOM 0 HA TYR A 28 2.715 -0.627 8.372 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.061 0.339 9.509 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.400 1.819 8.841 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.493 1.440 9.248 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.762 0.514 11.820 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.020 1.668 11.266 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.238 0.749 13.829 1.00 0.00 H new ATOM 0 HH TYR A 28 1.247 1.170 14.523 1.00 0.00 H new ATOM 458 N PHE A 29 1.619 1.065 6.991 1.00 0.00 N ATOM 459 CA PHE A 29 0.930 1.950 6.067 1.00 0.00 C ATOM 460 C PHE A 29 -0.139 2.772 6.789 1.00 0.00 C ATOM 461 O PHE A 29 -1.079 2.215 7.355 1.00 0.00 O ATOM 462 CB PHE A 29 0.253 1.063 5.019 1.00 0.00 C ATOM 463 CG PHE A 29 1.137 0.741 3.812 1.00 0.00 C ATOM 464 CD1 PHE A 29 2.062 -0.252 3.892 1.00 0.00 C ATOM 465 CD2 PHE A 29 0.996 1.448 2.659 1.00 0.00 C ATOM 466 CE1 PHE A 29 2.882 -0.551 2.772 1.00 0.00 C ATOM 467 CE2 PHE A 29 1.816 1.149 1.538 1.00 0.00 C ATOM 468 CZ PHE A 29 2.742 0.156 1.619 1.00 0.00 C ATOM 0 H PHE A 29 1.006 0.515 7.593 1.00 0.00 H new ATOM 0 HA PHE A 29 1.640 2.643 5.616 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.054 0.130 5.491 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.654 1.557 4.671 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.173 -0.814 4.808 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.261 2.237 2.595 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.617 -1.340 2.836 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.704 1.710 0.622 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.366 -0.071 0.767 1.00 0.00 H new ATOM 478 N VAL A 30 0.039 4.084 6.745 1.00 0.00 N ATOM 479 CA VAL A 30 -0.898 4.989 7.388 1.00 0.00 C ATOM 480 C VAL A 30 -1.536 5.893 6.330 1.00 0.00 C ATOM 481 O VAL A 30 -0.990 6.058 5.240 1.00 0.00 O ATOM 482 CB VAL A 30 -0.193 5.772 8.497 1.00 0.00 C ATOM 483 CG1 VAL A 30 -1.009 7.001 8.905 1.00 0.00 C ATOM 484 CG2 VAL A 30 0.091 4.877 9.705 1.00 0.00 C ATOM 0 H VAL A 30 0.819 4.542 6.274 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.702 4.429 7.865 1.00 0.00 H new ATOM 0 HB VAL A 30 0.763 6.120 8.105 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.485 7.540 9.695 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.137 7.655 8.043 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.987 6.684 9.268 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.593 5.458 10.479 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.848 4.486 10.097 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.731 4.048 9.402 1.00 0.00 H new ATOM 494 N LEU A 31 -2.681 6.454 6.690 1.00 0.00 N ATOM 495 CA LEU A 31 -3.398 7.337 5.785 1.00 0.00 C ATOM 496 C LEU A 31 -3.593 8.698 6.456 1.00 0.00 C ATOM 497 O LEU A 31 -3.916 8.769 7.641 1.00 0.00 O ATOM 498 CB LEU A 31 -4.703 6.685 5.323 1.00 0.00 C ATOM 499 CG LEU A 31 -4.976 6.724 3.818 1.00 0.00 C ATOM 500 CD1 LEU A 31 -5.519 5.382 3.325 1.00 0.00 C ATOM 501 CD2 LEU A 31 -5.905 7.885 3.459 1.00 0.00 C ATOM 0 H LEU A 31 -3.130 6.315 7.595 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.817 7.509 4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.699 5.644 5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.532 7.174 5.835 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.031 6.898 3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.705 5.437 2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.790 4.598 3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.450 5.154 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.083 7.890 2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.854 7.767 3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.442 8.826 3.754 1.00 0.00 H new ATOM 513 N ARG A 32 -3.390 9.744 5.669 1.00 0.00 N ATOM 514 CA ARG A 32 -3.540 11.099 6.173 1.00 0.00 C ATOM 515 C ARG A 32 -4.277 11.967 5.150 1.00 0.00 C ATOM 516 O ARG A 32 -3.897 12.011 3.981 1.00 0.00 O ATOM 517 CB ARG A 32 -2.179 11.727 6.478 1.00 0.00 C ATOM 518 CG ARG A 32 -2.162 12.347 7.877 1.00 0.00 C ATOM 519 CD ARG A 32 -1.028 11.762 8.722 1.00 0.00 C ATOM 520 NE ARG A 32 -0.401 12.828 9.534 1.00 0.00 N ATOM 521 CZ ARG A 32 0.197 13.911 9.019 1.00 0.00 C ATOM 522 NH1 ARG A 32 0.252 14.079 7.691 1.00 0.00 N ATOM 523 NH2 ARG A 32 0.740 14.828 9.833 1.00 0.00 N ATOM 0 H ARG A 32 -3.123 9.681 4.687 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.118 11.048 7.095 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.400 10.969 6.403 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.953 12.491 5.735 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.042 13.427 7.798 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.118 12.168 8.370 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.415 10.978 9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.282 11.300 8.075 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.425 12.733 10.549 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.161 13.382 7.071 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.707 14.904 7.300 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.698 14.701 10.844 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.195 15.652 9.441 1.00 0.00 H new ATOM 537 N ALA A 33 -5.316 12.634 5.628 1.00 0.00 N ATOM 538 CA ALA A 33 -6.109 13.498 4.770 1.00 0.00 C ATOM 539 C ALA A 33 -6.294 12.826 3.408 1.00 0.00 C ATOM 540 O ALA A 33 -7.105 11.913 3.267 1.00 0.00 O ATOM 541 CB ALA A 33 -5.434 14.867 4.658 1.00 0.00 C ATOM 0 H ALA A 33 -5.628 12.594 6.598 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.099 13.657 5.197 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.029 15.515 4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.353 15.315 5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.438 14.748 4.231 1.00 0.00 H new ATOM 547 N GLN A 34 -5.527 13.305 2.439 1.00 0.00 N ATOM 548 CA GLN A 34 -5.596 12.762 1.093 1.00 0.00 C ATOM 549 C GLN A 34 -4.203 12.345 0.617 1.00 0.00 C ATOM 550 O GLN A 34 -3.685 12.893 -0.356 1.00 0.00 O ATOM 551 CB GLN A 34 -6.227 13.767 0.128 1.00 0.00 C ATOM 552 CG GLN A 34 -7.588 14.241 0.642 1.00 0.00 C ATOM 553 CD GLN A 34 -8.297 15.106 -0.402 1.00 0.00 C ATOM 554 OE1 GLN A 34 -8.997 14.621 -1.276 1.00 0.00 O ATOM 555 NE2 GLN A 34 -8.078 16.411 -0.263 1.00 0.00 N ATOM 0 H GLN A 34 -4.855 14.063 2.559 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.232 11.877 1.111 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.563 14.623 0.003 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.345 13.309 -0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.208 13.379 0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.455 14.810 1.562 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.481 16.750 0.491 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.507 17.072 -0.911 1.00 0.00 H new ATOM 564 N GLN A 35 -3.635 11.379 1.324 1.00 0.00 N ATOM 565 CA GLN A 35 -2.312 10.883 0.987 1.00 0.00 C ATOM 566 C GLN A 35 -2.072 9.521 1.642 1.00 0.00 C ATOM 567 O GLN A 35 -2.588 9.251 2.726 1.00 0.00 O ATOM 568 CB GLN A 35 -1.230 11.885 1.393 1.00 0.00 C ATOM 569 CG GLN A 35 -0.976 12.901 0.277 1.00 0.00 C ATOM 570 CD GLN A 35 0.415 13.523 0.408 1.00 0.00 C ATOM 571 OE1 GLN A 35 1.369 12.890 0.829 1.00 0.00 O ATOM 572 NE2 GLN A 35 0.477 14.795 0.025 1.00 0.00 N ATOM 0 H GLN A 35 -4.067 10.926 2.129 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.258 10.759 -0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.534 12.406 2.301 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.306 11.354 1.624 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.070 12.412 -0.693 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.733 13.684 0.314 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.360 15.266 -0.318 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.362 15.300 0.074 1.00 0.00 H new ATOM 581 N LEU A 36 -1.290 8.700 0.958 1.00 0.00 N ATOM 582 CA LEU A 36 -0.976 7.373 1.460 1.00 0.00 C ATOM 583 C LEU A 36 0.505 7.314 1.840 1.00 0.00 C ATOM 584 O LEU A 36 1.376 7.474 0.986 1.00 0.00 O ATOM 585 CB LEU A 36 -1.394 6.304 0.449 1.00 0.00 C ATOM 586 CG LEU A 36 -1.305 4.855 0.929 1.00 0.00 C ATOM 587 CD1 LEU A 36 0.145 4.459 1.213 1.00 0.00 C ATOM 588 CD2 LEU A 36 -2.210 4.622 2.141 1.00 0.00 C ATOM 0 H LEU A 36 -0.864 8.928 0.060 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.547 7.163 2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.422 6.502 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.772 6.410 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.665 4.208 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.180 3.424 1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.735 4.562 0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.555 5.109 1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.128 3.584 2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.904 5.279 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.244 4.837 1.870 1.00 0.00 H new ATOM 600 N TYR A 37 0.745 7.084 3.123 1.00 0.00 N ATOM 601 CA TYR A 37 2.105 7.001 3.627 1.00 0.00 C ATOM 602 C TYR A 37 2.399 5.609 4.189 1.00 0.00 C ATOM 603 O TYR A 37 1.478 4.848 4.484 1.00 0.00 O ATOM 604 CB TYR A 37 2.198 8.025 4.760 1.00 0.00 C ATOM 605 CG TYR A 37 1.664 9.411 4.392 1.00 0.00 C ATOM 606 CD1 TYR A 37 0.320 9.692 4.534 1.00 0.00 C ATOM 607 CD2 TYR A 37 2.525 10.379 3.917 1.00 0.00 C ATOM 608 CE1 TYR A 37 -0.183 10.996 4.188 1.00 0.00 C ATOM 609 CE2 TYR A 37 2.022 11.683 3.570 1.00 0.00 C ATOM 610 CZ TYR A 37 0.693 11.927 3.723 1.00 0.00 C ATOM 611 OH TYR A 37 0.217 13.159 3.396 1.00 0.00 O ATOM 0 H TYR A 37 0.020 6.953 3.828 1.00 0.00 H new ATOM 0 HA TYR A 37 2.822 7.194 2.829 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.644 7.650 5.621 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.240 8.118 5.067 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.354 8.934 4.905 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.576 10.159 3.805 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.232 11.230 4.295 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.685 12.450 3.197 1.00 0.00 H new ATOM 0 HH TYR A 37 0.955 13.721 3.079 1.00 0.00 H new ATOM 621 N TYR A 38 3.684 5.317 4.319 1.00 0.00 N ATOM 622 CA TYR A 38 4.110 4.029 4.841 1.00 0.00 C ATOM 623 C TYR A 38 5.470 4.141 5.534 1.00 0.00 C ATOM 624 O TYR A 38 6.404 4.724 4.985 1.00 0.00 O ATOM 625 CB TYR A 38 4.244 3.107 3.628 1.00 0.00 C ATOM 626 CG TYR A 38 5.651 3.068 3.027 1.00 0.00 C ATOM 627 CD1 TYR A 38 6.684 2.481 3.729 1.00 0.00 C ATOM 628 CD2 TYR A 38 5.886 3.620 1.785 1.00 0.00 C ATOM 629 CE1 TYR A 38 8.008 2.444 3.164 1.00 0.00 C ATOM 630 CE2 TYR A 38 7.210 3.583 1.219 1.00 0.00 C ATOM 631 CZ TYR A 38 8.206 2.997 1.937 1.00 0.00 C ATOM 632 OH TYR A 38 9.456 2.963 1.403 1.00 0.00 O ATOM 0 H TYR A 38 4.445 5.950 4.072 1.00 0.00 H new ATOM 0 HA TYR A 38 3.394 3.656 5.574 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.956 2.097 3.919 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.541 3.430 2.860 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.499 2.050 4.702 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.077 4.080 1.237 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.825 1.987 3.702 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.408 4.011 0.247 1.00 0.00 H new ATOM 0 HH TYR A 38 9.448 3.394 0.523 1.00 0.00 H new ATOM 642 N TYR A 39 5.537 3.574 6.729 1.00 0.00 N ATOM 643 CA TYR A 39 6.767 3.602 7.503 1.00 0.00 C ATOM 644 C TYR A 39 7.350 2.196 7.657 1.00 0.00 C ATOM 645 O TYR A 39 6.611 1.213 7.686 1.00 0.00 O ATOM 646 CB TYR A 39 6.384 4.137 8.884 1.00 0.00 C ATOM 647 CG TYR A 39 5.774 5.540 8.861 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.431 5.705 8.592 1.00 0.00 C ATOM 649 CD2 TYR A 39 6.568 6.641 9.109 1.00 0.00 C ATOM 650 CE1 TYR A 39 3.857 7.025 8.570 1.00 0.00 C ATOM 651 CE2 TYR A 39 5.995 7.962 9.088 1.00 0.00 C ATOM 652 CZ TYR A 39 4.667 8.089 8.819 1.00 0.00 C ATOM 653 OH TYR A 39 4.126 9.336 8.799 1.00 0.00 O ATOM 0 H TYR A 39 4.760 3.092 7.181 1.00 0.00 H new ATOM 0 HA TYR A 39 7.517 4.219 7.009 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.673 3.450 9.344 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.271 4.148 9.517 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.810 4.843 8.398 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.620 6.512 9.319 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.807 7.167 8.361 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.605 8.832 9.281 1.00 0.00 H new ATOM 0 HH TYR A 39 4.822 9.998 8.995 1.00 0.00 H new ATOM 789 N GLN A 48 8.018 7.605 4.682 1.00 0.00 N ATOM 790 CA GLN A 48 8.851 7.196 3.563 1.00 0.00 C ATOM 791 C GLN A 48 8.245 7.682 2.245 1.00 0.00 C ATOM 792 O GLN A 48 8.585 8.761 1.761 1.00 0.00 O ATOM 793 CB GLN A 48 9.046 5.679 3.550 1.00 0.00 C ATOM 794 CG GLN A 48 9.962 5.234 4.692 1.00 0.00 C ATOM 795 CD GLN A 48 11.425 5.560 4.379 1.00 0.00 C ATOM 796 OE1 GLN A 48 11.782 5.932 3.274 1.00 0.00 O ATOM 797 NE2 GLN A 48 12.247 5.399 5.412 1.00 0.00 N ATOM 0 HA GLN A 48 9.833 7.654 3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.079 5.184 3.640 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.473 5.372 2.595 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.665 5.730 5.616 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.851 4.162 4.856 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.881 5.084 6.311 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.243 5.590 5.306 1.00 0.00 H new ATOM 806 N GLY A 49 7.357 6.863 1.701 1.00 0.00 N ATOM 807 CA GLY A 49 6.700 7.196 0.448 1.00 0.00 C ATOM 808 C GLY A 49 5.395 7.955 0.698 1.00 0.00 C ATOM 809 O GLY A 49 4.901 7.994 1.824 1.00 0.00 O ATOM 0 H GLY A 49 7.077 5.969 2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.366 7.803 -0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.493 6.284 -0.112 1.00 0.00 H new ATOM 813 N CYS A 50 4.873 8.539 -0.371 1.00 0.00 N ATOM 814 CA CYS A 50 3.635 9.294 -0.282 1.00 0.00 C ATOM 815 C CYS A 50 2.917 9.199 -1.629 1.00 0.00 C ATOM 816 O CYS A 50 3.495 9.514 -2.668 1.00 0.00 O ATOM 817 CB CYS A 50 3.887 10.746 0.130 1.00 0.00 C ATOM 818 SG CYS A 50 4.805 11.621 -1.189 1.00 0.00 S ATOM 0 H CYS A 50 5.285 8.504 -1.303 1.00 0.00 H new ATOM 0 HA CYS A 50 3.002 8.869 0.497 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.939 11.249 0.319 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.454 10.775 1.060 1.00 0.00 H new ATOM 0 HG CYS A 50 4.570 11.050 -2.333 1.00 0.00 H new ATOM 824 N MET A 51 1.667 8.765 -1.568 1.00 0.00 N ATOM 825 CA MET A 51 0.863 8.625 -2.771 1.00 0.00 C ATOM 826 C MET A 51 -0.393 9.495 -2.695 1.00 0.00 C ATOM 827 O MET A 51 -1.136 9.436 -1.716 1.00 0.00 O ATOM 828 CB MET A 51 0.460 7.160 -2.948 1.00 0.00 C ATOM 829 CG MET A 51 0.593 6.727 -4.409 1.00 0.00 C ATOM 830 SD MET A 51 2.276 6.239 -4.750 1.00 0.00 S ATOM 831 CE MET A 51 1.981 4.819 -5.792 1.00 0.00 C ATOM 0 H MET A 51 1.191 8.505 -0.704 1.00 0.00 H new ATOM 0 HA MET A 51 1.458 8.953 -3.624 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.087 6.528 -2.319 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.569 7.019 -2.616 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.084 5.897 -4.614 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.302 7.546 -5.067 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.917 4.285 -5.953 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.263 4.156 -5.309 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.582 5.148 -6.751 1.00 0.00 H new ATOM 841 N TYR A 52 -0.592 10.283 -3.741 1.00 0.00 N ATOM 842 CA TYR A 52 -1.745 11.165 -3.806 1.00 0.00 C ATOM 843 C TYR A 52 -3.015 10.382 -4.144 1.00 0.00 C ATOM 844 O TYR A 52 -3.198 9.950 -5.281 1.00 0.00 O ATOM 845 CB TYR A 52 -1.455 12.156 -4.935 1.00 0.00 C ATOM 846 CG TYR A 52 -2.114 13.524 -4.746 1.00 0.00 C ATOM 847 CD1 TYR A 52 -2.127 14.117 -3.500 1.00 0.00 C ATOM 848 CD2 TYR A 52 -2.694 14.165 -5.822 1.00 0.00 C ATOM 849 CE1 TYR A 52 -2.747 15.405 -3.322 1.00 0.00 C ATOM 850 CE2 TYR A 52 -3.313 15.453 -5.644 1.00 0.00 C ATOM 851 CZ TYR A 52 -3.309 16.009 -4.402 1.00 0.00 C ATOM 852 OH TYR A 52 -3.894 17.225 -4.234 1.00 0.00 O ATOM 0 H TYR A 52 0.026 10.329 -4.551 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.905 11.659 -2.848 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.377 12.292 -5.017 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.795 11.727 -5.878 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.672 13.616 -2.658 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.684 13.701 -6.797 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.765 15.880 -2.352 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.770 15.966 -6.477 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.253 17.537 -5.091 1.00 0.00 H new ATOM 862 N LEU A 53 -3.859 10.222 -3.136 1.00 0.00 N ATOM 863 CA LEU A 53 -5.107 9.498 -3.312 1.00 0.00 C ATOM 864 C LEU A 53 -5.937 10.179 -4.402 1.00 0.00 C ATOM 865 O LEU A 53 -6.511 9.509 -5.259 1.00 0.00 O ATOM 866 CB LEU A 53 -5.840 9.362 -1.976 1.00 0.00 C ATOM 867 CG LEU A 53 -5.172 8.466 -0.932 1.00 0.00 C ATOM 868 CD1 LEU A 53 -6.199 7.924 0.064 1.00 0.00 C ATOM 869 CD2 LEU A 53 -4.376 7.344 -1.602 1.00 0.00 C ATOM 0 H LEU A 53 -3.704 10.581 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.913 8.479 -3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.961 10.357 -1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.840 8.975 -2.171 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.463 9.071 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.697 7.290 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.683 8.756 0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.949 7.340 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.911 6.721 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.046 6.735 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.603 7.776 -2.238 1.00 0.00 H new ATOM 881 N PRO A 54 -5.974 11.536 -4.333 1.00 0.00 N ATOM 882 CA PRO A 54 -6.724 12.315 -5.304 1.00 0.00 C ATOM 883 C PRO A 54 -5.992 12.370 -6.646 1.00 0.00 C ATOM 884 O PRO A 54 -5.717 13.451 -7.164 1.00 0.00 O ATOM 885 CB PRO A 54 -6.894 13.683 -4.664 1.00 0.00 C ATOM 886 CG PRO A 54 -5.842 13.766 -3.570 1.00 0.00 C ATOM 887 CD PRO A 54 -5.307 12.363 -3.332 1.00 0.00 C ATOM 0 HA PRO A 54 -7.694 11.875 -5.537 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.757 14.477 -5.398 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.896 13.799 -4.252 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.036 14.437 -3.866 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.274 14.170 -2.655 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.224 12.328 -3.447 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.531 12.020 -2.322 1.00 0.00 H new ATOM 895 N GLY A 55 -5.697 11.190 -7.171 1.00 0.00 N ATOM 896 CA GLY A 55 -5.002 11.089 -8.443 1.00 0.00 C ATOM 897 C GLY A 55 -4.241 9.766 -8.550 1.00 0.00 C ATOM 898 O GLY A 55 -3.092 9.741 -8.987 1.00 0.00 O ATOM 0 H GLY A 55 -5.927 10.295 -6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.719 11.167 -9.260 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.307 11.922 -8.548 1.00 0.00 H new ATOM 902 N CYS A 56 -4.912 8.700 -8.141 1.00 0.00 N ATOM 903 CA CYS A 56 -4.314 7.377 -8.185 1.00 0.00 C ATOM 904 C CYS A 56 -5.322 6.413 -8.814 1.00 0.00 C ATOM 905 O CYS A 56 -6.480 6.772 -9.026 1.00 0.00 O ATOM 906 CB CYS A 56 -3.869 6.911 -6.797 1.00 0.00 C ATOM 907 SG CYS A 56 -2.048 7.023 -6.653 1.00 0.00 S ATOM 0 H CYS A 56 -5.865 8.726 -7.777 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.411 7.405 -8.795 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.341 7.525 -6.030 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.193 5.884 -6.628 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.654 8.200 -7.038 1.00 0.00 H new ATOM 913 N THR A 57 -4.846 5.209 -9.096 1.00 0.00 N ATOM 914 CA THR A 57 -5.692 4.192 -9.697 1.00 0.00 C ATOM 915 C THR A 57 -5.571 2.875 -8.927 1.00 0.00 C ATOM 916 O THR A 57 -4.550 2.194 -9.011 1.00 0.00 O ATOM 917 CB THR A 57 -5.309 4.070 -11.173 1.00 0.00 C ATOM 918 OG1 THR A 57 -6.049 5.108 -11.810 1.00 0.00 O ATOM 919 CG2 THR A 57 -5.842 2.786 -11.812 1.00 0.00 C ATOM 0 H THR A 57 -3.885 4.915 -8.919 1.00 0.00 H new ATOM 0 HA THR A 57 -6.745 4.470 -9.641 1.00 0.00 H new ATOM 0 HB THR A 57 -4.224 4.100 -11.270 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.859 5.103 -12.771 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.542 2.749 -12.859 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.434 1.922 -11.287 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.930 2.771 -11.745 1.00 0.00 H new ATOM 927 N ILE A 58 -6.627 2.556 -8.194 1.00 0.00 N ATOM 928 CA ILE A 58 -6.652 1.333 -7.410 1.00 0.00 C ATOM 929 C ILE A 58 -7.092 0.170 -8.301 1.00 0.00 C ATOM 930 O ILE A 58 -8.256 0.088 -8.692 1.00 0.00 O ATOM 931 CB ILE A 58 -7.519 1.514 -6.162 1.00 0.00 C ATOM 932 CG1 ILE A 58 -6.870 2.493 -5.181 1.00 0.00 C ATOM 933 CG2 ILE A 58 -7.826 0.166 -5.507 1.00 0.00 C ATOM 934 CD1 ILE A 58 -7.677 3.789 -5.086 1.00 0.00 C ATOM 0 H ILE A 58 -7.472 3.123 -8.126 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.653 1.095 -7.044 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.471 1.948 -6.468 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.798 2.032 -4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.853 2.716 -5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.443 0.323 -4.623 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.360 -0.469 -6.214 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.894 -0.318 -5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.194 4.467 -4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.727 4.260 -6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.686 3.565 -4.740 1.00 0.00 H new ATOM 946 N LYS A 59 -6.139 -0.702 -8.596 1.00 0.00 N ATOM 947 CA LYS A 59 -6.414 -1.856 -9.434 1.00 0.00 C ATOM 948 C LYS A 59 -6.160 -3.135 -8.632 1.00 0.00 C ATOM 949 O LYS A 59 -5.091 -3.303 -8.047 1.00 0.00 O ATOM 950 CB LYS A 59 -5.612 -1.778 -10.735 1.00 0.00 C ATOM 951 CG LYS A 59 -5.656 -0.365 -11.321 1.00 0.00 C ATOM 952 CD LYS A 59 -5.710 -0.407 -12.849 1.00 0.00 C ATOM 953 CE LYS A 59 -4.385 -0.903 -13.432 1.00 0.00 C ATOM 954 NZ LYS A 59 -4.626 -1.726 -14.638 1.00 0.00 N ATOM 0 H LYS A 59 -5.175 -0.632 -8.269 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.462 -1.868 -9.733 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.578 -2.066 -10.547 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.014 -2.488 -11.458 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.528 0.165 -10.937 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.777 0.193 -11.000 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.520 -1.062 -13.170 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.932 0.588 -13.236 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.751 -0.053 -13.685 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.849 -1.489 -12.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.717 -2.055 -15.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.213 -2.547 -14.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.118 -1.155 -15.355 1.00 0.00 H new ATOM 968 N GLU A 60 -7.161 -4.003 -8.631 1.00 0.00 N ATOM 969 CA GLU A 60 -7.060 -5.260 -7.910 1.00 0.00 C ATOM 970 C GLU A 60 -6.315 -6.297 -8.753 1.00 0.00 C ATOM 971 O GLU A 60 -6.867 -6.837 -9.711 1.00 0.00 O ATOM 972 CB GLU A 60 -8.444 -5.774 -7.507 1.00 0.00 C ATOM 973 CG GLU A 60 -9.126 -4.809 -6.536 1.00 0.00 C ATOM 974 CD GLU A 60 -10.647 -4.850 -6.699 1.00 0.00 C ATOM 975 OE1 GLU A 60 -11.093 -4.843 -7.867 1.00 0.00 O ATOM 976 OE2 GLU A 60 -11.329 -4.888 -5.653 1.00 0.00 O ATOM 0 H GLU A 60 -8.046 -3.860 -9.118 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.492 -5.087 -6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.062 -5.899 -8.396 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.350 -6.756 -7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.859 -5.069 -5.512 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.765 -3.796 -6.711 1.00 0.00 H new ATOM 983 N ILE A 61 -5.072 -6.543 -8.367 1.00 0.00 N ATOM 984 CA ILE A 61 -4.245 -7.505 -9.076 1.00 0.00 C ATOM 985 C ILE A 61 -4.803 -8.912 -8.854 1.00 0.00 C ATOM 986 O ILE A 61 -4.882 -9.381 -7.720 1.00 0.00 O ATOM 987 CB ILE A 61 -2.778 -7.354 -8.667 1.00 0.00 C ATOM 988 CG1 ILE A 61 -2.330 -5.894 -8.759 1.00 0.00 C ATOM 989 CG2 ILE A 61 -1.881 -8.282 -9.490 1.00 0.00 C ATOM 990 CD1 ILE A 61 -2.456 -5.371 -10.192 1.00 0.00 C ATOM 0 H ILE A 61 -4.617 -6.093 -7.573 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.275 -7.315 -10.149 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.682 -7.655 -7.624 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.935 -5.282 -8.090 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.296 -5.805 -8.425 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.844 -8.155 -9.180 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.184 -9.317 -9.330 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.976 -8.036 -10.548 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.131 -4.331 -10.230 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.831 -5.970 -10.854 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.495 -5.438 -10.514 1.00 0.00 H new ATOM 1123 N PHE A 71 -6.734 -11.188 -1.532 1.00 0.00 N ATOM 1124 CA PHE A 71 -6.851 -9.759 -1.297 1.00 0.00 C ATOM 1125 C PHE A 71 -5.558 -9.033 -1.674 1.00 0.00 C ATOM 1126 O PHE A 71 -4.681 -8.842 -0.832 1.00 0.00 O ATOM 1127 CB PHE A 71 -7.110 -9.571 0.199 1.00 0.00 C ATOM 1128 CG PHE A 71 -8.015 -10.641 0.813 1.00 0.00 C ATOM 1129 CD1 PHE A 71 -9.107 -11.081 0.132 1.00 0.00 C ATOM 1130 CD2 PHE A 71 -7.727 -11.153 2.040 1.00 0.00 C ATOM 1131 CE1 PHE A 71 -9.946 -12.074 0.702 1.00 0.00 C ATOM 1132 CE2 PHE A 71 -8.566 -12.147 2.610 1.00 0.00 C ATOM 1133 CZ PHE A 71 -9.659 -12.586 1.929 1.00 0.00 C ATOM 0 HA PHE A 71 -7.657 -9.347 -1.904 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.156 -9.571 0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.562 -8.592 0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.336 -10.675 -0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.860 -10.803 2.581 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.813 -12.423 0.161 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.337 -12.554 3.584 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.298 -13.341 2.363 1.00 0.00 H new ATOM 1143 N VAL A 72 -5.479 -8.649 -2.939 1.00 0.00 N ATOM 1144 CA VAL A 72 -4.308 -7.949 -3.438 1.00 0.00 C ATOM 1145 C VAL A 72 -4.753 -6.798 -4.342 1.00 0.00 C ATOM 1146 O VAL A 72 -5.739 -6.920 -5.067 1.00 0.00 O ATOM 1147 CB VAL A 72 -3.370 -8.933 -4.140 1.00 0.00 C ATOM 1148 CG1 VAL A 72 -2.063 -8.249 -4.548 1.00 0.00 C ATOM 1149 CG2 VAL A 72 -3.098 -10.155 -3.261 1.00 0.00 C ATOM 0 H VAL A 72 -6.208 -8.810 -3.634 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.743 -7.514 -2.614 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.866 -9.278 -5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.414 -8.971 -5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.280 -7.427 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.562 -7.862 -3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.429 -10.838 -3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.634 -9.836 -2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.037 -10.663 -3.044 1.00 0.00 H new ATOM 1159 N PHE A 73 -4.005 -5.707 -4.269 1.00 0.00 N ATOM 1160 CA PHE A 73 -4.310 -4.535 -5.072 1.00 0.00 C ATOM 1161 C PHE A 73 -3.114 -3.582 -5.128 1.00 0.00 C ATOM 1162 O PHE A 73 -2.429 -3.381 -4.126 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.484 -3.823 -4.396 1.00 0.00 C ATOM 1164 CG PHE A 73 -5.101 -3.060 -3.127 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.984 -3.723 -1.945 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -4.878 -1.720 -3.180 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.629 -3.014 -0.766 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.523 -1.012 -2.001 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.406 -1.674 -0.819 1.00 0.00 C ATOM 0 H PHE A 73 -3.188 -5.610 -3.666 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.549 -4.835 -6.092 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.931 -3.127 -5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.248 -4.559 -4.148 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.161 -4.788 -1.903 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.971 -1.194 -4.119 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.536 -3.540 0.173 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.346 0.053 -2.043 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.136 -1.135 0.077 1.00 0.00 H new ATOM 1179 N GLU A 74 -2.901 -3.020 -6.309 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.800 -2.093 -6.508 1.00 0.00 C ATOM 1181 C GLU A 74 -2.334 -0.697 -6.832 1.00 0.00 C ATOM 1182 O GLU A 74 -3.354 -0.559 -7.506 1.00 0.00 O ATOM 1183 CB GLU A 74 -0.858 -2.589 -7.607 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.226 -1.978 -8.961 1.00 0.00 C ATOM 1185 CD GLU A 74 -0.472 -2.670 -10.098 1.00 0.00 C ATOM 1186 OE1 GLU A 74 0.212 -3.672 -9.798 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -0.598 -2.182 -11.242 1.00 0.00 O ATOM 0 H GLU A 74 -3.472 -3.189 -7.137 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.227 -2.035 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.170 -2.330 -7.354 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.906 -3.676 -7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.300 -2.068 -9.125 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.992 -0.914 -8.959 1.00 0.00 H new ATOM 1194 N ILE A 75 -1.621 0.304 -6.336 1.00 0.00 N ATOM 1195 CA ILE A 75 -2.011 1.685 -6.565 1.00 0.00 C ATOM 1196 C ILE A 75 -1.102 2.298 -7.632 1.00 0.00 C ATOM 1197 O ILE A 75 0.121 2.206 -7.537 1.00 0.00 O ATOM 1198 CB ILE A 75 -2.024 2.463 -5.247 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -2.771 1.689 -4.160 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -2.595 3.869 -5.446 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -2.023 1.755 -2.827 1.00 0.00 C ATOM 0 H ILE A 75 -0.776 0.186 -5.777 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.030 1.734 -6.948 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.994 2.579 -4.909 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.773 2.100 -4.039 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.888 0.649 -4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.593 4.401 -4.494 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.983 4.412 -6.166 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.617 3.797 -5.819 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.576 1.197 -2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.030 1.321 -2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.929 2.795 -2.513 1.00 0.00 H new ATOM 1213 N ILE A 76 -1.734 2.908 -8.623 1.00 0.00 N ATOM 1214 CA ILE A 76 -0.997 3.536 -9.707 1.00 0.00 C ATOM 1215 C ILE A 76 -1.119 5.056 -9.588 1.00 0.00 C ATOM 1216 O ILE A 76 -2.225 5.595 -9.580 1.00 0.00 O ATOM 1217 CB ILE A 76 -1.460 2.986 -11.058 1.00 0.00 C ATOM 1218 CG1 ILE A 76 -1.169 1.488 -11.168 1.00 0.00 C ATOM 1219 CG2 ILE A 76 -0.841 3.776 -12.212 1.00 0.00 C ATOM 1220 CD1 ILE A 76 -2.459 0.692 -11.376 1.00 0.00 C ATOM 0 H ILE A 76 -2.749 2.981 -8.699 1.00 0.00 H new ATOM 0 HA ILE A 76 0.064 3.295 -9.636 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.541 3.110 -11.126 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.488 1.306 -11.999 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.667 1.144 -10.264 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.186 3.365 -13.161 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.141 4.822 -12.139 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.245 3.705 -12.160 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.223 -0.370 -11.451 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.128 0.856 -10.531 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.946 1.021 -12.294 1.00 0.00 H new ATOM 1232 N PRO A 77 0.063 5.722 -9.496 1.00 0.00 N ATOM 1233 CA PRO A 77 0.099 7.170 -9.377 1.00 0.00 C ATOM 1234 C PRO A 77 -0.212 7.838 -10.718 1.00 0.00 C ATOM 1235 O PRO A 77 -0.086 7.214 -11.771 1.00 0.00 O ATOM 1236 CB PRO A 77 1.494 7.488 -8.865 1.00 0.00 C ATOM 1237 CG PRO A 77 2.336 6.257 -9.157 1.00 0.00 C ATOM 1238 CD PRO A 77 1.391 5.117 -9.501 1.00 0.00 C ATOM 0 HA PRO A 77 -0.659 7.555 -8.695 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.902 8.367 -9.363 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.478 7.706 -7.797 1.00 0.00 H new ATOM 0 HG2 PRO A 77 3.019 6.449 -9.984 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.947 5.999 -8.292 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.627 4.687 -10.475 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.461 4.310 -8.771 1.00 0.00 H new ATOM 1411 N SER A 89 3.901 1.133 -10.011 1.00 0.00 N ATOM 1412 CA SER A 89 2.741 1.199 -9.139 1.00 0.00 C ATOM 1413 C SER A 89 3.110 0.707 -7.738 1.00 0.00 C ATOM 1414 O SER A 89 4.242 0.285 -7.503 1.00 0.00 O ATOM 1415 CB SER A 89 1.580 0.376 -9.702 1.00 0.00 C ATOM 1416 OG SER A 89 1.936 -0.992 -9.887 1.00 0.00 O ATOM 0 HA SER A 89 2.418 2.238 -9.079 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.728 0.441 -9.025 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.263 0.800 -10.655 1.00 0.00 H new ATOM 0 HG SER A 89 2.887 -1.055 -10.115 1.00 0.00 H new ATOM 1422 N TYR A 90 2.135 0.776 -6.845 1.00 0.00 N ATOM 1423 CA TYR A 90 2.343 0.343 -5.474 1.00 0.00 C ATOM 1424 C TYR A 90 1.583 -0.954 -5.187 1.00 0.00 C ATOM 1425 O TYR A 90 0.421 -0.921 -4.785 1.00 0.00 O ATOM 1426 CB TYR A 90 1.780 1.456 -4.589 1.00 0.00 C ATOM 1427 CG TYR A 90 2.808 2.080 -3.643 1.00 0.00 C ATOM 1428 CD1 TYR A 90 4.082 2.359 -4.096 1.00 0.00 C ATOM 1429 CD2 TYR A 90 2.462 2.364 -2.338 1.00 0.00 C ATOM 1430 CE1 TYR A 90 5.050 2.946 -3.206 1.00 0.00 C ATOM 1431 CE2 TYR A 90 3.430 2.951 -1.448 1.00 0.00 C ATOM 1432 CZ TYR A 90 4.676 3.213 -1.926 1.00 0.00 C ATOM 1433 OH TYR A 90 5.590 3.768 -1.085 1.00 0.00 O ATOM 0 H TYR A 90 1.198 1.126 -7.044 1.00 0.00 H new ATOM 0 HA TYR A 90 3.401 0.156 -5.288 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.366 2.238 -5.226 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.955 1.055 -3.999 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.353 2.137 -5.118 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.465 2.146 -1.984 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.050 3.169 -3.547 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.172 3.178 -0.424 1.00 0.00 H new ATOM 0 HH TYR A 90 5.541 3.326 -0.212 1.00 0.00 H new ATOM 1443 N VAL A 91 2.271 -2.066 -5.404 1.00 0.00 N ATOM 1444 CA VAL A 91 1.675 -3.371 -5.174 1.00 0.00 C ATOM 1445 C VAL A 91 1.511 -3.594 -3.669 1.00 0.00 C ATOM 1446 O VAL A 91 2.468 -3.949 -2.983 1.00 0.00 O ATOM 1447 CB VAL A 91 2.515 -4.456 -5.851 1.00 0.00 C ATOM 1448 CG1 VAL A 91 1.980 -5.850 -5.519 1.00 0.00 C ATOM 1449 CG2 VAL A 91 2.575 -4.238 -7.364 1.00 0.00 C ATOM 0 H VAL A 91 3.235 -2.090 -5.736 1.00 0.00 H new ATOM 0 HA VAL A 91 0.682 -3.421 -5.620 1.00 0.00 H new ATOM 0 HB VAL A 91 3.531 -4.385 -5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.595 -6.603 -6.013 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.013 -6.005 -4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.951 -5.937 -5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.178 -5.023 -7.821 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.566 -4.269 -7.776 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.023 -3.267 -7.574 1.00 0.00 H new ATOM 1459 N LEU A 92 0.291 -3.376 -3.201 1.00 0.00 N ATOM 1460 CA LEU A 92 -0.011 -3.549 -1.790 1.00 0.00 C ATOM 1461 C LEU A 92 -0.889 -4.789 -1.609 1.00 0.00 C ATOM 1462 O LEU A 92 -1.674 -5.132 -2.491 1.00 0.00 O ATOM 1463 CB LEU A 92 -0.623 -2.272 -1.213 1.00 0.00 C ATOM 1464 CG LEU A 92 0.137 -0.975 -1.498 1.00 0.00 C ATOM 1465 CD1 LEU A 92 -0.389 0.171 -0.631 1.00 0.00 C ATOM 1466 CD2 LEU A 92 1.645 -1.175 -1.329 1.00 0.00 C ATOM 0 H LEU A 92 -0.500 -3.081 -3.774 1.00 0.00 H new ATOM 0 HA LEU A 92 0.904 -3.721 -1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.636 -2.170 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.708 -2.390 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.037 -0.699 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.168 1.081 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.446 0.332 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.264 -0.082 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.162 -0.238 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.858 -1.488 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.990 -1.942 -2.022 1.00 0.00 H new ATOM 1478 N MET A 93 -0.727 -5.427 -0.459 1.00 0.00 N ATOM 1479 CA MET A 93 -1.496 -6.621 -0.151 1.00 0.00 C ATOM 1480 C MET A 93 -1.926 -6.632 1.318 1.00 0.00 C ATOM 1481 O MET A 93 -1.177 -6.196 2.191 1.00 0.00 O ATOM 1482 CB MET A 93 -0.651 -7.862 -0.445 1.00 0.00 C ATOM 1483 CG MET A 93 -1.280 -9.112 0.173 1.00 0.00 C ATOM 1484 SD MET A 93 -0.817 -10.557 -0.768 1.00 0.00 S ATOM 1485 CE MET A 93 0.958 -10.487 -0.591 1.00 0.00 C ATOM 0 H MET A 93 -0.075 -5.140 0.271 1.00 0.00 H new ATOM 0 HA MET A 93 -2.391 -6.625 -0.772 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.555 -7.994 -1.523 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.355 -7.723 -0.050 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.952 -9.221 1.207 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.365 -9.012 0.191 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.429 -10.907 -1.480 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.271 -9.450 -0.470 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.259 -11.061 0.285 1.00 0.00 H new ATOM 1495 N ALA A 94 -3.130 -7.136 1.544 1.00 0.00 N ATOM 1496 CA ALA A 94 -3.668 -7.210 2.892 1.00 0.00 C ATOM 1497 C ALA A 94 -3.854 -8.677 3.282 1.00 0.00 C ATOM 1498 O ALA A 94 -4.167 -9.514 2.436 1.00 0.00 O ATOM 1499 CB ALA A 94 -4.975 -6.417 2.964 1.00 0.00 C ATOM 0 H ALA A 94 -3.748 -7.497 0.817 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.976 -6.764 3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.379 -6.472 3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.783 -5.375 2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.695 -6.838 2.262 1.00 0.00 H new ATOM 1505 N SER A 95 -3.654 -8.945 4.564 1.00 0.00 N ATOM 1506 CA SER A 95 -3.796 -10.297 5.077 1.00 0.00 C ATOM 1507 C SER A 95 -5.197 -10.491 5.662 1.00 0.00 C ATOM 1508 O SER A 95 -5.359 -11.153 6.686 1.00 0.00 O ATOM 1509 CB SER A 95 -2.733 -10.600 6.135 1.00 0.00 C ATOM 1510 OG SER A 95 -1.417 -10.592 5.587 1.00 0.00 O ATOM 0 H SER A 95 -3.395 -8.249 5.263 1.00 0.00 H new ATOM 0 HA SER A 95 -3.655 -10.992 4.250 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.797 -9.862 6.935 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.934 -11.574 6.582 1.00 0.00 H new ATOM 0 HG SER A 95 -0.767 -10.788 6.294 1.00 0.00 H new ATOM 1516 N SER A 96 -6.172 -9.902 4.986 1.00 0.00 N ATOM 1517 CA SER A 96 -7.553 -10.002 5.426 1.00 0.00 C ATOM 1518 C SER A 96 -8.464 -9.229 4.469 1.00 0.00 C ATOM 1519 O SER A 96 -8.117 -8.138 4.021 1.00 0.00 O ATOM 1520 CB SER A 96 -7.716 -9.477 6.853 1.00 0.00 C ATOM 1521 OG SER A 96 -9.085 -9.404 7.243 1.00 0.00 O ATOM 0 H SER A 96 -6.033 -9.354 4.137 1.00 0.00 H new ATOM 0 HA SER A 96 -7.838 -11.054 5.420 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.177 -10.127 7.542 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.264 -8.488 6.929 1.00 0.00 H new ATOM 0 HG SER A 96 -9.146 -9.066 8.161 1.00 0.00 H new ATOM 1527 N GLN A 97 -9.612 -9.826 4.184 1.00 0.00 N ATOM 1528 CA GLN A 97 -10.575 -9.208 3.289 1.00 0.00 C ATOM 1529 C GLN A 97 -11.079 -7.890 3.880 1.00 0.00 C ATOM 1530 O GLN A 97 -11.109 -6.869 3.194 1.00 0.00 O ATOM 1531 CB GLN A 97 -11.738 -10.157 2.995 1.00 0.00 C ATOM 1532 CG GLN A 97 -12.718 -9.532 2.000 1.00 0.00 C ATOM 1533 CD GLN A 97 -13.539 -10.609 1.288 1.00 0.00 C ATOM 1534 OE1 GLN A 97 -13.686 -11.725 1.757 1.00 0.00 O ATOM 1535 NE2 GLN A 97 -14.063 -10.213 0.131 1.00 0.00 N ATOM 0 H GLN A 97 -9.897 -10.731 4.557 1.00 0.00 H new ATOM 0 HA GLN A 97 -10.077 -8.993 2.344 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.354 -11.094 2.593 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.259 -10.397 3.922 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.386 -8.847 2.523 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -12.169 -8.943 1.265 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.901 -9.263 -0.204 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -14.627 -10.859 -0.421 1.00 0.00 H new ATOM 1544 N ALA A 98 -11.462 -7.954 5.147 1.00 0.00 N ATOM 1545 CA ALA A 98 -11.963 -6.779 5.838 1.00 0.00 C ATOM 1546 C ALA A 98 -10.883 -5.695 5.841 1.00 0.00 C ATOM 1547 O ALA A 98 -11.193 -4.505 5.851 1.00 0.00 O ATOM 1548 CB ALA A 98 -12.405 -7.166 7.251 1.00 0.00 C ATOM 0 H ALA A 98 -11.435 -8.802 5.713 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.835 -6.374 5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.781 -6.284 7.769 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.194 -7.916 7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.556 -7.574 7.799 1.00 0.00 H new ATOM 1554 N GLU A 99 -9.637 -6.147 5.832 1.00 0.00 N ATOM 1555 CA GLU A 99 -8.509 -5.231 5.834 1.00 0.00 C ATOM 1556 C GLU A 99 -8.352 -4.579 4.458 1.00 0.00 C ATOM 1557 O GLU A 99 -8.292 -3.355 4.351 1.00 0.00 O ATOM 1558 CB GLU A 99 -7.223 -5.946 6.252 1.00 0.00 C ATOM 1559 CG GLU A 99 -6.066 -4.955 6.395 1.00 0.00 C ATOM 1560 CD GLU A 99 -5.291 -5.199 7.691 1.00 0.00 C ATOM 1561 OE1 GLU A 99 -5.946 -5.184 8.755 1.00 0.00 O ATOM 1562 OE2 GLU A 99 -4.061 -5.396 7.588 1.00 0.00 O ATOM 0 H GLU A 99 -9.384 -7.135 5.823 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.704 -4.447 6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.382 -6.464 7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.967 -6.704 5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.394 -5.050 5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.452 -3.936 6.385 1.00 0.00 H new ATOM 1569 N MET A 100 -8.291 -5.426 3.442 1.00 0.00 N ATOM 1570 CA MET A 100 -8.142 -4.948 2.078 1.00 0.00 C ATOM 1571 C MET A 100 -9.333 -4.080 1.668 1.00 0.00 C ATOM 1572 O MET A 100 -9.177 -3.125 0.908 1.00 0.00 O ATOM 1573 CB MET A 100 -8.029 -6.142 1.127 1.00 0.00 C ATOM 1574 CG MET A 100 -7.911 -5.677 -0.326 1.00 0.00 C ATOM 1575 SD MET A 100 -8.548 -6.934 -1.422 1.00 0.00 S ATOM 1576 CE MET A 100 -10.270 -6.912 -0.953 1.00 0.00 C ATOM 0 H MET A 100 -8.342 -6.440 3.536 1.00 0.00 H new ATOM 0 HA MET A 100 -7.238 -4.342 2.023 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.158 -6.742 1.392 1.00 0.00 H new ATOM 0 HB3 MET A 100 -8.903 -6.783 1.237 1.00 0.00 H new ATOM 0 HG2 MET A 100 -8.463 -4.748 -0.465 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.869 -5.468 -0.566 1.00 0.00 H new ATOM 0 HE1 MET A 100 -10.889 -7.101 -1.830 1.00 0.00 H new ATOM 0 HE2 MET A 100 -10.454 -7.685 -0.207 1.00 0.00 H new ATOM 0 HE3 MET A 100 -10.521 -5.937 -0.535 1.00 0.00 H new ATOM 1586 N GLU A 101 -10.496 -4.443 2.189 1.00 0.00 N ATOM 1587 CA GLU A 101 -11.713 -3.709 1.887 1.00 0.00 C ATOM 1588 C GLU A 101 -11.668 -2.320 2.528 1.00 0.00 C ATOM 1589 O GLU A 101 -11.913 -1.316 1.861 1.00 0.00 O ATOM 1590 CB GLU A 101 -12.949 -4.485 2.345 1.00 0.00 C ATOM 1591 CG GLU A 101 -13.675 -5.112 1.153 1.00 0.00 C ATOM 1592 CD GLU A 101 -13.978 -4.063 0.081 1.00 0.00 C ATOM 1593 OE1 GLU A 101 -14.509 -2.997 0.463 1.00 0.00 O ATOM 1594 OE2 GLU A 101 -13.670 -4.349 -1.096 1.00 0.00 O ATOM 0 H GLU A 101 -10.621 -5.236 2.818 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.782 -3.587 0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.654 -5.265 3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.626 -3.817 2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.062 -5.906 0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.604 -5.572 1.490 1.00 0.00 H new ATOM 1601 N GLU A 102 -11.354 -2.308 3.815 1.00 0.00 N ATOM 1602 CA GLU A 102 -11.274 -1.059 4.554 1.00 0.00 C ATOM 1603 C GLU A 102 -10.302 -0.098 3.869 1.00 0.00 C ATOM 1604 O GLU A 102 -10.642 1.055 3.609 1.00 0.00 O ATOM 1605 CB GLU A 102 -10.867 -1.308 6.008 1.00 0.00 C ATOM 1606 CG GLU A 102 -11.142 -0.076 6.873 1.00 0.00 C ATOM 1607 CD GLU A 102 -12.506 -0.182 7.559 1.00 0.00 C ATOM 1608 OE1 GLU A 102 -13.444 -0.660 6.887 1.00 0.00 O ATOM 1609 OE2 GLU A 102 -12.578 0.218 8.742 1.00 0.00 O ATOM 0 H GLU A 102 -11.152 -3.143 4.365 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.262 -0.600 4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.416 -2.163 6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.808 -1.561 6.055 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.360 0.027 7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.110 0.821 6.255 1.00 0.00 H new ATOM 1616 N TRP A 103 -9.110 -0.608 3.594 1.00 0.00 N ATOM 1617 CA TRP A 103 -8.086 0.191 2.944 1.00 0.00 C ATOM 1618 C TRP A 103 -8.654 0.699 1.617 1.00 0.00 C ATOM 1619 O TRP A 103 -8.887 1.896 1.455 1.00 0.00 O ATOM 1620 CB TRP A 103 -6.792 -0.609 2.773 1.00 0.00 C ATOM 1621 CG TRP A 103 -5.910 -0.639 4.023 1.00 0.00 C ATOM 1622 CD1 TRP A 103 -5.563 -1.702 4.762 1.00 0.00 C ATOM 1623 CD2 TRP A 103 -5.274 0.492 4.654 1.00 0.00 C ATOM 1624 NE1 TRP A 103 -4.752 -1.340 5.819 1.00 0.00 N ATOM 1625 CE2 TRP A 103 -4.571 0.037 5.751 1.00 0.00 C ATOM 1626 CE3 TRP A 103 -5.291 1.855 4.309 1.00 0.00 C ATOM 1627 CZ2 TRP A 103 -3.833 0.878 6.592 1.00 0.00 C ATOM 1628 CZ3 TRP A 103 -4.549 2.683 5.160 1.00 0.00 C ATOM 1629 CH2 TRP A 103 -3.836 2.240 6.268 1.00 0.00 C ATOM 0 H TRP A 103 -8.831 -1.565 3.810 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.818 1.050 3.560 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -7.044 -1.632 2.494 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.221 -0.184 1.948 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.878 -2.714 4.556 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.358 -1.967 6.521 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.833 2.233 3.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -3.291 0.497 7.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -4.529 3.740 4.940 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -3.287 2.943 6.876 1.00 0.00 H new ATOM 1640 N VAL A 104 -8.860 -0.237 0.702 1.00 0.00 N ATOM 1641 CA VAL A 104 -9.396 0.101 -0.606 1.00 0.00 C ATOM 1642 C VAL A 104 -10.555 1.086 -0.438 1.00 0.00 C ATOM 1643 O VAL A 104 -10.634 2.084 -1.153 1.00 0.00 O ATOM 1644 CB VAL A 104 -9.798 -1.173 -1.352 1.00 0.00 C ATOM 1645 CG1 VAL A 104 -10.751 -0.855 -2.506 1.00 0.00 C ATOM 1646 CG2 VAL A 104 -8.565 -1.928 -1.851 1.00 0.00 C ATOM 0 H VAL A 104 -8.666 -1.229 0.840 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.637 0.592 -1.215 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.325 -1.820 -0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.021 -1.778 -3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.651 -0.381 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.261 -0.180 -3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.879 -2.829 -2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.998 -1.290 -2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.939 -2.203 -1.002 1.00 0.00 H new ATOM 1656 N LYS A 105 -11.425 0.771 0.511 1.00 0.00 N ATOM 1657 CA LYS A 105 -12.575 1.616 0.781 1.00 0.00 C ATOM 1658 C LYS A 105 -12.111 3.065 0.949 1.00 0.00 C ATOM 1659 O LYS A 105 -12.527 3.944 0.197 1.00 0.00 O ATOM 1660 CB LYS A 105 -13.363 1.081 1.978 1.00 0.00 C ATOM 1661 CG LYS A 105 -14.542 1.997 2.313 1.00 0.00 C ATOM 1662 CD LYS A 105 -14.246 2.840 3.555 1.00 0.00 C ATOM 1663 CE LYS A 105 -14.817 2.182 4.813 1.00 0.00 C ATOM 1664 NZ LYS A 105 -16.119 2.787 5.170 1.00 0.00 N ATOM 0 H LYS A 105 -11.356 -0.058 1.102 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.266 1.598 -0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.728 0.078 1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.705 0.998 2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.751 2.651 1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.437 1.397 2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.169 2.968 3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.674 3.835 3.434 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.940 1.112 4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.117 2.297 5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.492 2.329 6.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.992 3.804 5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.790 2.655 4.386 1.00 0.00 H new ATOM 1678 N PHE A 106 -11.255 3.267 1.939 1.00 0.00 N ATOM 1679 CA PHE A 106 -10.730 4.594 2.215 1.00 0.00 C ATOM 1680 C PHE A 106 -9.959 5.139 1.011 1.00 0.00 C ATOM 1681 O PHE A 106 -10.180 6.273 0.590 1.00 0.00 O ATOM 1682 CB PHE A 106 -9.772 4.458 3.400 1.00 0.00 C ATOM 1683 CG PHE A 106 -10.452 4.573 4.766 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -10.922 5.776 5.192 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -10.586 3.473 5.554 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -11.553 5.883 6.460 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -11.217 3.579 6.821 1.00 0.00 C ATOM 1688 CZ PHE A 106 -11.687 4.782 7.248 1.00 0.00 C ATOM 0 H PHE A 106 -10.912 2.535 2.560 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.548 5.281 2.430 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.267 3.494 3.337 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.003 5.227 3.322 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.815 6.650 4.566 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.212 2.518 5.216 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -11.926 6.838 6.799 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -11.324 2.705 7.446 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.166 4.863 8.212 1.00 0.00 H new ATOM 1698 N LEU A 107 -9.069 4.306 0.492 1.00 0.00 N ATOM 1699 CA LEU A 107 -8.264 4.690 -0.655 1.00 0.00 C ATOM 1700 C LEU A 107 -9.184 5.167 -1.781 1.00 0.00 C ATOM 1701 O LEU A 107 -9.185 6.346 -2.130 1.00 0.00 O ATOM 1702 CB LEU A 107 -7.333 3.547 -1.063 1.00 0.00 C ATOM 1703 CG LEU A 107 -6.271 3.148 -0.037 1.00 0.00 C ATOM 1704 CD1 LEU A 107 -5.880 1.677 -0.196 1.00 0.00 C ATOM 1705 CD2 LEU A 107 -5.057 4.075 -0.114 1.00 0.00 C ATOM 0 H LEU A 107 -8.888 3.366 0.845 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.612 5.525 -0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.942 2.671 -1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.829 3.828 -1.988 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.699 3.262 0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.124 1.419 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.759 1.049 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.478 1.513 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.318 3.769 0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.618 4.018 -1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.369 5.100 0.087 1.00 0.00 H new ATOM 1717 N ARG A 108 -9.944 4.225 -2.320 1.00 0.00 N ATOM 1718 CA ARG A 108 -10.866 4.533 -3.400 1.00 0.00 C ATOM 1719 C ARG A 108 -11.736 5.736 -3.028 1.00 0.00 C ATOM 1720 O ARG A 108 -11.935 6.637 -3.840 1.00 0.00 O ATOM 1721 CB ARG A 108 -11.768 3.338 -3.713 1.00 0.00 C ATOM 1722 CG ARG A 108 -11.844 3.088 -5.220 1.00 0.00 C ATOM 1723 CD ARG A 108 -10.966 1.902 -5.625 1.00 0.00 C ATOM 1724 NE ARG A 108 -10.841 1.844 -7.098 1.00 0.00 N ATOM 1725 CZ ARG A 108 -11.716 1.224 -7.902 1.00 0.00 C ATOM 1726 NH1 ARG A 108 -12.784 0.606 -7.380 1.00 0.00 N ATOM 1727 NH2 ARG A 108 -11.523 1.222 -9.228 1.00 0.00 N ATOM 0 H ARG A 108 -9.940 3.247 -2.029 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.274 4.767 -4.284 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.386 2.448 -3.212 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.768 3.520 -3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.877 2.895 -5.508 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -11.525 3.981 -5.757 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.979 1.998 -5.172 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.399 0.974 -5.252 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.039 2.304 -7.528 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -12.931 0.607 -6.371 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.450 0.134 -7.992 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -10.710 1.692 -9.626 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -12.189 0.750 -9.840 1.00 0.00 H new ATOM 1741 N ARG A 109 -12.230 5.711 -1.799 1.00 0.00 N ATOM 1742 CA ARG A 109 -13.073 6.787 -1.309 1.00 0.00 C ATOM 1743 C ARG A 109 -12.357 8.131 -1.456 1.00 0.00 C ATOM 1744 O ARG A 109 -12.742 8.956 -2.284 1.00 0.00 O ATOM 1745 CB ARG A 109 -13.443 6.573 0.160 1.00 0.00 C ATOM 1746 CG ARG A 109 -14.186 7.787 0.722 1.00 0.00 C ATOM 1747 CD ARG A 109 -14.733 7.496 2.120 1.00 0.00 C ATOM 1748 NE ARG A 109 -16.211 7.570 2.111 1.00 0.00 N ATOM 1749 CZ ARG A 109 -16.970 7.593 3.215 1.00 0.00 C ATOM 1750 NH1 ARG A 109 -16.394 7.548 4.424 1.00 0.00 N ATOM 1751 NH2 ARG A 109 -18.304 7.661 3.111 1.00 0.00 N ATOM 0 H ARG A 109 -12.062 4.962 -1.128 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.986 6.790 -1.905 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -14.067 5.684 0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.540 6.393 0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.513 8.643 0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -15.006 8.057 0.056 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -14.412 6.507 2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -14.329 8.214 2.834 1.00 0.00 H new ATOM 0 HE ARG A 109 -16.682 7.606 1.207 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -15.378 7.496 4.503 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -16.971 7.565 5.265 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -18.743 7.695 2.191 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -18.881 7.678 3.952 1.00 0.00 H new ATOM 1765 N VAL A 110 -11.328 8.310 -0.641 1.00 0.00 N ATOM 1766 CA VAL A 110 -10.555 9.540 -0.670 1.00 0.00 C ATOM 1767 C VAL A 110 -10.208 9.884 -2.120 1.00 0.00 C ATOM 1768 O VAL A 110 -10.445 11.004 -2.570 1.00 0.00 O ATOM 1769 CB VAL A 110 -9.321 9.404 0.224 1.00 0.00 C ATOM 1770 CG1 VAL A 110 -8.452 10.661 0.154 1.00 0.00 C ATOM 1771 CG2 VAL A 110 -9.722 9.095 1.668 1.00 0.00 C ATOM 0 H VAL A 110 -11.011 7.624 0.044 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.140 10.368 -0.270 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.730 8.567 -0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.582 10.538 0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.123 10.819 -0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.031 11.523 0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.826 9.003 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.345 9.902 2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -10.280 8.159 1.698 1.00 0.00 H new ATOM 1781 N ALA A 111 -9.651 8.901 -2.811 1.00 0.00 N ATOM 1782 CA ALA A 111 -9.268 9.086 -4.201 1.00 0.00 C ATOM 1783 C ALA A 111 -10.446 9.682 -4.974 1.00 0.00 C ATOM 1784 O ALA A 111 -10.262 10.577 -5.798 1.00 0.00 O ATOM 1785 CB ALA A 111 -8.804 7.750 -4.784 1.00 0.00 C ATOM 0 H ALA A 111 -9.455 7.973 -2.435 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.434 9.784 -4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.517 7.888 -5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -7.948 7.383 -4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.616 7.025 -4.724 1.00 0.00 H new