USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 685 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 52 GLN : amide:sc= -3.17 X(o=-5.2,f=-5.1!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.613 USER MOD Set 1.3: A 107 MET CE :methyl 134:sc= -1.41 (180deg=-3.04!) USER MOD Single : A 7 THR OG1 : rot -46:sc= 0.0628 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.555 F(o=-2.1,f=-0.55) USER MOD Single : A 16 GLN : amide:sc= -0.0899 X(o=-0.09,f=-0.57) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -150:sc= -0.322 (180deg=-1.33!) USER MOD Single : A 28 GLN : amide:sc= -0.169 K(o=-0.17,f=-2.5!) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot -131:sc= 0.944 USER MOD Single : A 47 HIS : no HE2:sc= -0.122 K(o=-0.12,f=-1.2) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -2.58! C(o=-2.6!,f=-4.3!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.102 USER MOD Single : A 70 ASN : amide:sc= -0.0804 X(o=-0.08,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0.0214 USER MOD Single : A 89 ASN :FLIP amide:sc= -2.19! C(o=-3.7!,f=-2.2!) USER MOD Single : A 104 CYS SG : rot -19:sc= 0.0368 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 7 1.279 -18.652 -1.394 1.00 0.00 N ATOM 82 CA THR A 7 0.186 -17.839 -0.871 1.00 0.00 C ATOM 83 C THR A 7 -0.114 -16.668 -1.800 1.00 0.00 C ATOM 84 O THR A 7 -0.932 -15.804 -1.480 1.00 0.00 O ATOM 85 CB THR A 7 0.532 -17.319 0.528 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.644 -16.988 1.244 1.00 0.00 O ATOM 87 CG2 THR A 7 1.421 -16.092 0.513 1.00 0.00 C ATOM 0 HA THR A 7 -0.702 -18.467 -0.809 1.00 0.00 H new ATOM 0 HB THR A 7 1.074 -18.132 1.010 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.239 -16.462 0.670 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.626 -15.778 1.537 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.359 -16.329 0.011 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.918 -15.285 -0.020 1.00 0.00 H new ATOM 95 N CYS A 8 0.556 -16.639 -2.948 1.00 0.00 N ATOM 96 CA CYS A 8 0.360 -15.566 -3.913 1.00 0.00 C ATOM 97 C CYS A 8 -0.192 -16.097 -5.234 1.00 0.00 C ATOM 98 O CYS A 8 0.551 -16.287 -6.197 1.00 0.00 O ATOM 99 CB CYS A 8 1.676 -14.821 -4.148 1.00 0.00 C ATOM 100 SG CYS A 8 2.704 -14.644 -2.651 1.00 0.00 S ATOM 0 H CYS A 8 1.237 -17.344 -3.231 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.374 -14.873 -3.500 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.249 -15.349 -4.910 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.455 -13.830 -4.544 1.00 0.00 H new ATOM 105 N PRO A 9 -1.514 -16.345 -5.295 1.00 0.00 N ATOM 106 CA PRO A 9 -2.166 -16.855 -6.502 1.00 0.00 C ATOM 107 C PRO A 9 -2.386 -15.775 -7.558 1.00 0.00 C ATOM 108 O PRO A 9 -1.773 -15.804 -8.625 1.00 0.00 O ATOM 109 CB PRO A 9 -3.504 -17.378 -5.979 1.00 0.00 C ATOM 110 CG PRO A 9 -3.802 -16.538 -4.784 1.00 0.00 C ATOM 111 CD PRO A 9 -2.473 -16.151 -4.188 1.00 0.00 C ATOM 0 HA PRO A 9 -1.560 -17.609 -7.004 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.286 -17.285 -6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.440 -18.433 -5.714 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.373 -15.653 -5.065 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.404 -17.090 -4.063 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.477 -15.118 -3.840 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.224 -16.775 -3.330 1.00 0.00 H new ATOM 119 N GLU A 10 -3.268 -14.826 -7.257 1.00 0.00 N ATOM 120 CA GLU A 10 -3.572 -13.742 -8.184 1.00 0.00 C ATOM 121 C GLU A 10 -3.318 -12.378 -7.545 1.00 0.00 C ATOM 122 O GLU A 10 -2.260 -11.778 -7.744 1.00 0.00 O ATOM 123 CB GLU A 10 -5.027 -13.840 -8.648 1.00 0.00 C ATOM 124 CG GLU A 10 -5.444 -12.721 -9.585 1.00 0.00 C ATOM 125 CD GLU A 10 -6.468 -13.168 -10.609 1.00 0.00 C ATOM 126 OE1 GLU A 10 -7.588 -13.543 -10.204 1.00 0.00 O ATOM 127 OE2 GLU A 10 -6.149 -13.143 -11.817 1.00 0.00 O ATOM 0 H GLU A 10 -3.784 -14.786 -6.378 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.911 -13.840 -9.045 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.176 -14.796 -9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.679 -13.833 -7.775 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.855 -11.898 -9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.564 -12.337 -10.101 1.00 0.00 H new ATOM 134 N LYS A 11 -4.297 -11.893 -6.784 1.00 0.00 N ATOM 135 CA LYS A 11 -4.188 -10.596 -6.119 1.00 0.00 C ATOM 136 C LYS A 11 -2.871 -10.480 -5.358 1.00 0.00 C ATOM 137 O LYS A 11 -2.230 -9.431 -5.360 1.00 0.00 O ATOM 138 CB LYS A 11 -5.362 -10.390 -5.161 1.00 0.00 C ATOM 139 CG LYS A 11 -6.721 -10.529 -5.827 1.00 0.00 C ATOM 140 CD LYS A 11 -7.851 -10.424 -4.815 1.00 0.00 C ATOM 141 CE LYS A 11 -8.685 -9.174 -5.039 1.00 0.00 C ATOM 142 NZ LYS A 11 -10.144 -9.469 -5.023 1.00 0.00 N ATOM 0 H LYS A 11 -5.177 -12.380 -6.612 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.212 -9.822 -6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.289 -11.113 -4.349 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.286 -9.399 -4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.837 -9.754 -6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.779 -11.489 -6.341 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.488 -11.305 -4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.438 -10.411 -3.807 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.455 -8.441 -4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.416 -8.725 -5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.678 -8.590 -5.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.369 -10.149 -5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.406 -9.874 -4.102 1.00 0.00 H new ATOM 156 N TRP A 12 -2.475 -11.568 -4.712 1.00 0.00 N ATOM 157 CA TRP A 12 -1.237 -11.604 -3.951 1.00 0.00 C ATOM 158 C TRP A 12 -0.033 -11.612 -4.891 1.00 0.00 C ATOM 159 O TRP A 12 -0.071 -12.235 -5.952 1.00 0.00 O ATOM 160 CB TRP A 12 -1.200 -12.837 -3.049 1.00 0.00 C ATOM 161 CG TRP A 12 -2.201 -12.802 -1.933 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.553 -12.647 -2.046 1.00 0.00 C ATOM 163 CD2 TRP A 12 -1.927 -12.931 -0.534 1.00 0.00 C ATOM 164 NE1 TRP A 12 -4.136 -12.671 -0.802 1.00 0.00 N ATOM 165 CE2 TRP A 12 -3.158 -12.843 0.142 1.00 0.00 C ATOM 166 CE3 TRP A 12 -0.759 -13.111 0.213 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -3.254 -12.931 1.529 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -0.856 -13.197 1.589 1.00 0.00 C ATOM 169 CH2 TRP A 12 -2.095 -13.107 2.235 1.00 0.00 C ATOM 0 H TRP A 12 -2.999 -12.443 -4.701 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.192 -10.710 -3.328 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.378 -13.725 -3.656 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.201 -12.935 -2.625 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.086 -12.524 -2.977 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.134 -12.576 -0.612 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.201 -13.182 -0.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -4.209 -12.863 2.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.040 -13.336 2.176 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.137 -13.178 3.312 1.00 0.00 H new ATOM 180 N ILE A 13 1.030 -10.916 -4.500 1.00 0.00 N ATOM 181 CA ILE A 13 2.238 -10.844 -5.318 1.00 0.00 C ATOM 182 C ILE A 13 3.500 -11.035 -4.479 1.00 0.00 C ATOM 183 O ILE A 13 3.712 -10.329 -3.498 1.00 0.00 O ATOM 184 CB ILE A 13 2.340 -9.496 -6.056 1.00 0.00 C ATOM 185 CG1 ILE A 13 0.997 -8.750 -6.026 1.00 0.00 C ATOM 186 CG2 ILE A 13 2.807 -9.717 -7.482 1.00 0.00 C ATOM 187 CD1 ILE A 13 0.064 -9.102 -7.170 1.00 0.00 C ATOM 0 H ILE A 13 1.081 -10.395 -3.625 1.00 0.00 H new ATOM 0 HA ILE A 13 2.163 -11.653 -6.045 1.00 0.00 H new ATOM 0 HB ILE A 13 3.074 -8.874 -5.543 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.495 -8.966 -5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.190 -7.677 -6.046 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.876 -8.758 -7.995 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.786 -10.195 -7.474 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.095 -10.357 -8.003 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.860 -8.532 -7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.543 -8.859 -8.118 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.162 -10.168 -7.140 1.00 0.00 H new ATOM 199 N ASN A 14 4.339 -11.989 -4.879 1.00 0.00 N ATOM 200 CA ASN A 14 5.584 -12.271 -4.166 1.00 0.00 C ATOM 201 C ASN A 14 6.793 -11.760 -4.944 1.00 0.00 C ATOM 202 O ASN A 14 6.759 -11.662 -6.171 1.00 0.00 O ATOM 203 CB ASN A 14 5.725 -13.769 -3.904 1.00 0.00 C ATOM 204 CG ASN A 14 7.075 -14.132 -3.315 1.00 0.00 C ATOM 205 OD1 ASN A 14 7.277 -13.797 -2.047 1.00 0.00 O flip ATOM 206 ND2 ASN A 14 7.925 -14.709 -3.994 1.00 0.00 N flip ATOM 0 H ASN A 14 4.179 -12.581 -5.694 1.00 0.00 H new ATOM 0 HA ASN A 14 5.546 -11.747 -3.211 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.937 -14.091 -3.223 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.582 -14.313 -4.838 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.726 -14.947 -4.966 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.828 -14.949 -3.585 1.00 0.00 H new ATOM 213 N PHE A 15 7.859 -11.429 -4.219 1.00 0.00 N ATOM 214 CA PHE A 15 9.078 -10.919 -4.836 1.00 0.00 C ATOM 215 C PHE A 15 10.308 -11.662 -4.316 1.00 0.00 C ATOM 216 O PHE A 15 10.344 -12.892 -4.323 1.00 0.00 O ATOM 217 CB PHE A 15 9.210 -9.416 -4.571 1.00 0.00 C ATOM 218 CG PHE A 15 7.911 -8.672 -4.664 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.460 -8.184 -5.880 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.139 -8.463 -3.533 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.262 -7.499 -5.966 1.00 0.00 C ATOM 222 CE2 PHE A 15 5.942 -7.781 -3.613 1.00 0.00 C ATOM 223 CZ PHE A 15 5.502 -7.298 -4.830 1.00 0.00 C ATOM 0 H PHE A 15 7.902 -11.505 -3.203 1.00 0.00 H new ATOM 0 HA PHE A 15 9.015 -11.086 -5.911 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.634 -9.267 -3.578 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.915 -8.990 -5.286 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.051 -8.340 -6.770 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.478 -8.838 -2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.921 -7.122 -6.919 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.349 -7.625 -2.724 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.565 -6.764 -4.893 1.00 0.00 H new ATOM 233 N GLN A 16 11.314 -10.909 -3.868 1.00 0.00 N ATOM 234 CA GLN A 16 12.543 -11.499 -3.349 1.00 0.00 C ATOM 235 C GLN A 16 12.238 -12.575 -2.314 1.00 0.00 C ATOM 236 O GLN A 16 12.834 -13.654 -2.335 1.00 0.00 O ATOM 237 CB GLN A 16 13.433 -10.417 -2.731 1.00 0.00 C ATOM 238 CG GLN A 16 12.676 -9.436 -1.851 1.00 0.00 C ATOM 239 CD GLN A 16 12.870 -7.996 -2.284 1.00 0.00 C ATOM 240 OE1 GLN A 16 12.928 -7.697 -3.477 1.00 0.00 O ATOM 241 NE2 GLN A 16 12.974 -7.096 -1.314 1.00 0.00 N ATOM 0 H GLN A 16 11.299 -9.889 -3.855 1.00 0.00 H new ATOM 0 HA GLN A 16 13.072 -11.963 -4.182 1.00 0.00 H new ATOM 0 HB2 GLN A 16 14.214 -10.895 -2.140 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.930 -9.867 -3.530 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.614 -9.678 -1.873 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.007 -9.549 -0.819 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.920 -7.389 -0.338 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.108 -6.111 -1.544 1.00 0.00 H new ATOM 250 N ARG A 17 11.307 -12.281 -1.411 1.00 0.00 N ATOM 251 CA ARG A 17 10.930 -13.233 -0.374 1.00 0.00 C ATOM 252 C ARG A 17 9.638 -12.818 0.321 1.00 0.00 C ATOM 253 O ARG A 17 9.141 -13.528 1.195 1.00 0.00 O ATOM 254 CB ARG A 17 12.054 -13.376 0.654 1.00 0.00 C ATOM 255 CG ARG A 17 12.549 -12.046 1.201 1.00 0.00 C ATOM 256 CD ARG A 17 12.730 -12.099 2.710 1.00 0.00 C ATOM 257 NE ARG A 17 12.994 -10.778 3.275 1.00 0.00 N ATOM 258 CZ ARG A 17 13.548 -10.584 4.467 1.00 0.00 C ATOM 259 NH1 ARG A 17 13.897 -11.621 5.218 1.00 0.00 N ATOM 260 NH2 ARG A 17 13.755 -9.351 4.911 1.00 0.00 N ATOM 0 H ARG A 17 10.802 -11.395 -1.377 1.00 0.00 H new ATOM 0 HA ARG A 17 10.761 -14.196 -0.856 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.702 -13.992 1.482 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.890 -13.905 0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.496 -11.787 0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.839 -11.259 0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.834 -12.517 3.168 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.555 -12.769 2.953 1.00 0.00 H new ATOM 0 HE ARG A 17 12.739 -9.959 2.724 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.740 -12.571 4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.322 -11.468 6.133 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.489 -8.551 4.337 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.180 -9.203 5.826 1.00 0.00 H new ATOM 274 N LYS A 18 9.094 -11.672 -0.072 1.00 0.00 N ATOM 275 CA LYS A 18 7.861 -11.180 0.514 1.00 0.00 C ATOM 276 C LYS A 18 6.743 -11.174 -0.506 1.00 0.00 C ATOM 277 O LYS A 18 6.975 -11.149 -1.710 1.00 0.00 O ATOM 278 CB LYS A 18 8.030 -9.771 1.068 1.00 0.00 C ATOM 279 CG LYS A 18 8.253 -8.725 -0.006 1.00 0.00 C ATOM 280 CD LYS A 18 9.583 -8.017 0.181 1.00 0.00 C ATOM 281 CE LYS A 18 9.391 -6.600 0.694 1.00 0.00 C ATOM 282 NZ LYS A 18 10.566 -6.130 1.480 1.00 0.00 N ATOM 0 H LYS A 18 9.490 -11.069 -0.794 1.00 0.00 H new ATOM 0 HA LYS A 18 7.607 -11.855 1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.143 -9.506 1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.874 -9.759 1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.225 -9.197 -0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.443 -7.996 0.020 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.200 -8.579 0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.120 -7.992 -0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.225 -5.928 -0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.497 -6.557 1.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.396 -5.159 1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.709 -6.756 2.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.415 -6.146 0.879 1.00 0.00 H new ATOM 296 N CYS A 19 5.533 -11.180 0.001 1.00 0.00 N ATOM 297 CA CYS A 19 4.350 -11.161 -0.835 1.00 0.00 C ATOM 298 C CYS A 19 3.464 -9.985 -0.458 1.00 0.00 C ATOM 299 O CYS A 19 3.649 -9.370 0.590 1.00 0.00 O ATOM 300 CB CYS A 19 3.578 -12.478 -0.711 1.00 0.00 C ATOM 301 SG CYS A 19 2.340 -12.748 -2.023 1.00 0.00 S ATOM 0 H CYS A 19 5.338 -11.198 1.002 1.00 0.00 H new ATOM 0 HA CYS A 19 4.660 -11.047 -1.874 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.288 -13.305 -0.722 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.076 -12.502 0.256 1.00 0.00 H new ATOM 306 N TYR A 20 2.506 -9.678 -1.316 1.00 0.00 N ATOM 307 CA TYR A 20 1.592 -8.573 -1.076 1.00 0.00 C ATOM 308 C TYR A 20 0.160 -9.063 -1.132 1.00 0.00 C ATOM 309 O TYR A 20 -0.223 -9.768 -2.059 1.00 0.00 O ATOM 310 CB TYR A 20 1.768 -7.474 -2.135 1.00 0.00 C ATOM 311 CG TYR A 20 2.919 -6.520 -1.895 1.00 0.00 C ATOM 312 CD1 TYR A 20 3.945 -6.818 -1.006 1.00 0.00 C ATOM 313 CD2 TYR A 20 2.970 -5.306 -2.570 1.00 0.00 C ATOM 314 CE1 TYR A 20 4.987 -5.933 -0.798 1.00 0.00 C ATOM 315 CE2 TYR A 20 4.007 -4.417 -2.367 1.00 0.00 C ATOM 316 CZ TYR A 20 5.012 -4.734 -1.480 1.00 0.00 C ATOM 317 OH TYR A 20 6.048 -3.852 -1.275 1.00 0.00 O ATOM 0 H TYR A 20 2.340 -10.180 -2.188 1.00 0.00 H new ATOM 0 HA TYR A 20 1.816 -8.166 -0.090 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.908 -7.948 -3.107 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.845 -6.897 -2.192 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.928 -7.755 -0.469 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.184 -5.053 -3.266 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.778 -6.179 -0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.030 -3.478 -2.901 1.00 0.00 H new ATOM 0 HH TYR A 20 5.916 -3.057 -1.832 1.00 0.00 H new ATOM 327 N TYR A 21 -0.635 -8.670 -0.155 1.00 0.00 N ATOM 328 CA TYR A 21 -2.029 -9.057 -0.124 1.00 0.00 C ATOM 329 C TYR A 21 -2.860 -7.916 -0.692 1.00 0.00 C ATOM 330 O TYR A 21 -2.984 -6.855 -0.084 1.00 0.00 O ATOM 331 CB TYR A 21 -2.451 -9.387 1.311 1.00 0.00 C ATOM 332 CG TYR A 21 -3.944 -9.341 1.547 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.831 -9.913 0.645 1.00 0.00 C ATOM 334 CD2 TYR A 21 -4.463 -8.725 2.677 1.00 0.00 C ATOM 335 CE1 TYR A 21 -6.193 -9.872 0.861 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.823 -8.679 2.903 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.686 -9.254 1.992 1.00 0.00 C ATOM 338 OH TYR A 21 -8.043 -9.211 2.213 1.00 0.00 O ATOM 0 H TYR A 21 -0.338 -8.084 0.626 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.187 -9.950 -0.728 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.085 -10.382 1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.966 -8.686 1.990 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.448 -10.398 -0.241 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.791 -8.274 3.392 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.870 -10.321 0.149 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.210 -8.196 3.788 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.223 -8.741 3.054 1.00 0.00 H new ATOM 348 N PHE A 22 -3.398 -8.143 -1.879 1.00 0.00 N ATOM 349 CA PHE A 22 -4.189 -7.143 -2.569 1.00 0.00 C ATOM 350 C PHE A 22 -5.682 -7.405 -2.386 1.00 0.00 C ATOM 351 O PHE A 22 -6.167 -8.501 -2.667 1.00 0.00 O ATOM 352 CB PHE A 22 -3.816 -7.163 -4.057 1.00 0.00 C ATOM 353 CG PHE A 22 -2.479 -6.532 -4.375 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.662 -6.039 -3.369 1.00 0.00 C ATOM 355 CD2 PHE A 22 -2.039 -6.441 -5.688 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.439 -5.467 -3.664 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.814 -5.868 -5.990 1.00 0.00 C ATOM 358 CZ PHE A 22 -0.014 -5.380 -4.974 1.00 0.00 C ATOM 0 H PHE A 22 -3.298 -9.022 -2.387 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.976 -6.160 -2.148 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.808 -8.197 -4.403 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.592 -6.645 -4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.986 -6.103 -2.341 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.660 -6.822 -6.485 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.185 -5.088 -2.868 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.485 -5.803 -7.017 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.941 -4.932 -5.205 1.00 0.00 H new ATOM 368 N GLY A 23 -6.405 -6.395 -1.907 1.00 0.00 N ATOM 369 CA GLY A 23 -7.833 -6.545 -1.688 1.00 0.00 C ATOM 370 C GLY A 23 -8.607 -5.266 -1.936 1.00 0.00 C ATOM 371 O GLY A 23 -8.040 -4.260 -2.364 1.00 0.00 O ATOM 0 H GLY A 23 -6.028 -5.478 -1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.215 -7.328 -2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.005 -6.875 -0.663 1.00 0.00 H new ATOM 375 N LYS A 24 -9.909 -5.310 -1.667 1.00 0.00 N ATOM 376 CA LYS A 24 -10.772 -4.153 -1.861 1.00 0.00 C ATOM 377 C LYS A 24 -11.355 -3.680 -0.533 1.00 0.00 C ATOM 378 O LYS A 24 -11.411 -4.438 0.436 1.00 0.00 O ATOM 379 CB LYS A 24 -11.900 -4.491 -2.840 1.00 0.00 C ATOM 380 CG LYS A 24 -12.860 -3.340 -3.094 1.00 0.00 C ATOM 381 CD LYS A 24 -13.851 -3.675 -4.198 1.00 0.00 C ATOM 382 CE LYS A 24 -13.383 -3.148 -5.545 1.00 0.00 C ATOM 383 NZ LYS A 24 -13.108 -1.685 -5.503 1.00 0.00 N ATOM 0 H LYS A 24 -10.389 -6.138 -1.313 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.170 -3.346 -2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.463 -4.803 -3.789 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.462 -5.341 -2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.401 -3.106 -2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.296 -2.448 -3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.983 -4.756 -4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.824 -3.247 -3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.481 -3.679 -5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.143 -3.353 -6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.290 -1.271 -6.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.727 -1.235 -4.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.114 -1.526 -5.241 1.00 0.00 H new ATOM 440 N GLN A 28 -10.551 4.788 5.175 1.00 0.00 N ATOM 441 CA GLN A 28 -9.391 5.649 4.963 1.00 0.00 C ATOM 442 C GLN A 28 -8.084 4.866 5.075 1.00 0.00 C ATOM 443 O GLN A 28 -8.082 3.636 5.089 1.00 0.00 O ATOM 444 CB GLN A 28 -9.397 6.798 5.973 1.00 0.00 C ATOM 445 CG GLN A 28 -10.638 7.672 5.895 1.00 0.00 C ATOM 446 CD GLN A 28 -11.666 7.321 6.954 1.00 0.00 C ATOM 447 OE1 GLN A 28 -11.464 6.409 7.755 1.00 0.00 O ATOM 448 NE2 GLN A 28 -12.778 8.048 6.962 1.00 0.00 N ATOM 0 HA GLN A 28 -9.457 6.053 3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.316 6.386 6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.516 7.418 5.810 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.349 8.717 6.006 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.089 7.569 4.908 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.904 8.795 6.279 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.506 7.859 7.651 1.00 0.00 H new ATOM 457 N TRP A 29 -6.974 5.599 5.147 1.00 0.00 N ATOM 458 CA TRP A 29 -5.651 4.993 5.251 1.00 0.00 C ATOM 459 C TRP A 29 -5.477 4.258 6.575 1.00 0.00 C ATOM 460 O TRP A 29 -5.001 3.123 6.608 1.00 0.00 O ATOM 461 CB TRP A 29 -4.569 6.067 5.106 1.00 0.00 C ATOM 462 CG TRP A 29 -3.187 5.558 5.373 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.325 5.014 4.465 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.508 5.541 6.634 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.151 4.659 5.084 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.239 4.973 6.417 1.00 0.00 C ATOM 467 CE3 TRP A 29 -2.851 5.951 7.925 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.312 4.806 7.443 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -1.930 5.784 8.943 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.674 5.217 8.697 1.00 0.00 C ATOM 0 H TRP A 29 -6.967 6.619 5.135 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.552 4.265 4.445 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.608 6.478 4.097 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.786 6.886 5.792 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.535 4.882 3.414 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.345 4.232 4.627 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.817 6.390 8.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.657 4.368 7.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.184 6.096 9.945 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.023 5.102 9.513 1.00 0.00 H new ATOM 481 N VAL A 30 -5.857 4.917 7.661 1.00 0.00 N ATOM 482 CA VAL A 30 -5.738 4.332 8.991 1.00 0.00 C ATOM 483 C VAL A 30 -6.443 2.986 9.065 1.00 0.00 C ATOM 484 O VAL A 30 -6.033 2.098 9.811 1.00 0.00 O ATOM 485 CB VAL A 30 -6.316 5.266 10.072 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.400 6.459 10.292 1.00 0.00 C ATOM 487 CG2 VAL A 30 -7.716 5.722 9.691 1.00 0.00 C ATOM 0 H VAL A 30 -6.251 5.858 7.648 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.674 4.190 9.179 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.382 4.711 11.008 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.825 7.107 11.059 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.419 6.110 10.614 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.299 7.017 9.361 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.108 6.381 10.466 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.678 6.259 8.743 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.367 4.853 9.590 1.00 0.00 H new ATOM 497 N HIS A 31 -7.507 2.839 8.288 1.00 0.00 N ATOM 498 CA HIS A 31 -8.263 1.596 8.271 1.00 0.00 C ATOM 499 C HIS A 31 -7.480 0.498 7.560 1.00 0.00 C ATOM 500 O HIS A 31 -7.608 -0.679 7.896 1.00 0.00 O ATOM 501 CB HIS A 31 -9.617 1.801 7.596 1.00 0.00 C ATOM 502 CG HIS A 31 -10.766 1.821 8.558 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.216 2.972 9.168 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.556 0.821 9.014 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.234 2.680 9.959 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.459 1.382 9.883 1.00 0.00 N ATOM 0 H HIS A 31 -7.865 3.562 7.664 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.431 1.287 9.303 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.600 2.740 7.043 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.776 1.005 6.869 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.489 -0.223 8.745 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.787 3.383 10.564 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.187 0.877 10.388 1.00 0.00 H new ATOM 515 N ALA A 32 -6.669 0.885 6.579 1.00 0.00 N ATOM 516 CA ALA A 32 -5.871 -0.080 5.838 1.00 0.00 C ATOM 517 C ALA A 32 -4.753 -0.636 6.707 1.00 0.00 C ATOM 518 O ALA A 32 -4.563 -1.848 6.789 1.00 0.00 O ATOM 519 CB ALA A 32 -5.295 0.560 4.583 1.00 0.00 C ATOM 0 H ALA A 32 -6.549 1.854 6.282 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.520 -0.905 5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.701 -0.175 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.108 0.911 3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.663 1.403 4.862 1.00 0.00 H new ATOM 525 N ARG A 33 -4.025 0.257 7.366 1.00 0.00 N ATOM 526 CA ARG A 33 -2.933 -0.146 8.240 1.00 0.00 C ATOM 527 C ARG A 33 -3.442 -1.016 9.383 1.00 0.00 C ATOM 528 O ARG A 33 -2.798 -1.993 9.766 1.00 0.00 O ATOM 529 CB ARG A 33 -2.207 1.079 8.800 1.00 0.00 C ATOM 530 CG ARG A 33 -3.124 2.073 9.490 1.00 0.00 C ATOM 531 CD ARG A 33 -2.468 2.675 10.722 1.00 0.00 C ATOM 532 NE ARG A 33 -1.993 1.649 11.646 1.00 0.00 N ATOM 533 CZ ARG A 33 -0.731 1.552 12.056 1.00 0.00 C ATOM 534 NH1 ARG A 33 0.178 2.414 11.625 1.00 0.00 N ATOM 535 NH2 ARG A 33 -0.379 0.590 12.899 1.00 0.00 N ATOM 0 H ARG A 33 -4.172 1.265 7.311 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.230 -0.730 7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.448 0.747 9.508 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.686 1.584 7.987 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.390 2.868 8.793 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.051 1.576 9.776 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.631 3.303 10.417 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.182 3.321 11.233 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.667 0.968 11.997 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.089 3.155 10.977 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.145 2.337 11.941 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.076 -0.076 13.233 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.589 0.516 13.213 1.00 0.00 H new ATOM 549 N TYR A 34 -4.599 -0.654 9.925 1.00 0.00 N ATOM 550 CA TYR A 34 -5.192 -1.401 11.027 1.00 0.00 C ATOM 551 C TYR A 34 -5.741 -2.740 10.549 1.00 0.00 C ATOM 552 O TYR A 34 -5.722 -3.728 11.285 1.00 0.00 O ATOM 553 CB TYR A 34 -6.305 -0.584 11.685 1.00 0.00 C ATOM 554 CG TYR A 34 -6.336 -0.706 13.192 1.00 0.00 C ATOM 555 CD1 TYR A 34 -6.867 -1.832 13.806 1.00 0.00 C ATOM 556 CD2 TYR A 34 -5.833 0.307 14.000 1.00 0.00 C ATOM 557 CE1 TYR A 34 -6.897 -1.947 15.184 1.00 0.00 C ATOM 558 CE2 TYR A 34 -5.860 0.200 15.377 1.00 0.00 C ATOM 559 CZ TYR A 34 -6.392 -0.928 15.964 1.00 0.00 C ATOM 560 OH TYR A 34 -6.421 -1.038 17.335 1.00 0.00 O ATOM 0 H TYR A 34 -5.145 0.152 9.619 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.410 -1.594 11.761 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.181 0.465 11.416 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.266 -0.905 11.283 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.263 -2.632 13.198 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.414 1.192 13.544 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.313 -2.830 15.646 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.466 0.997 15.991 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.026 -0.236 17.736 1.00 0.00 H new ATOM 570 N ALA A 35 -6.236 -2.768 9.316 1.00 0.00 N ATOM 571 CA ALA A 35 -6.795 -3.988 8.747 1.00 0.00 C ATOM 572 C ALA A 35 -5.716 -5.036 8.518 1.00 0.00 C ATOM 573 O ALA A 35 -5.920 -6.219 8.790 1.00 0.00 O ATOM 574 CB ALA A 35 -7.524 -3.682 7.448 1.00 0.00 C ATOM 0 H ALA A 35 -6.261 -1.961 8.693 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.509 -4.395 9.463 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.935 -4.603 7.036 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.333 -2.978 7.642 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.826 -3.245 6.734 1.00 0.00 H new ATOM 580 N CYS A 36 -4.568 -4.596 8.022 1.00 0.00 N ATOM 581 CA CYS A 36 -3.458 -5.500 7.764 1.00 0.00 C ATOM 582 C CYS A 36 -2.731 -5.833 9.061 1.00 0.00 C ATOM 583 O CYS A 36 -2.094 -6.879 9.179 1.00 0.00 O ATOM 584 CB CYS A 36 -2.486 -4.880 6.757 1.00 0.00 C ATOM 585 SG CYS A 36 -3.298 -3.977 5.398 1.00 0.00 S ATOM 0 H CYS A 36 -4.382 -3.620 7.791 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.856 -6.422 7.341 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.819 -4.198 7.285 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.865 -5.670 6.334 1.00 0.00 H new ATOM 590 N ASP A 37 -2.839 -4.933 10.033 1.00 0.00 N ATOM 591 CA ASP A 37 -2.201 -5.124 11.330 1.00 0.00 C ATOM 592 C ASP A 37 -2.953 -6.155 12.164 1.00 0.00 C ATOM 593 O ASP A 37 -2.397 -6.744 13.092 1.00 0.00 O ATOM 594 CB ASP A 37 -2.127 -3.797 12.087 1.00 0.00 C ATOM 595 CG ASP A 37 -0.741 -3.182 12.043 1.00 0.00 C ATOM 596 OD1 ASP A 37 -0.335 -2.712 10.961 1.00 0.00 O ATOM 597 OD2 ASP A 37 -0.064 -3.171 13.093 1.00 0.00 O ATOM 0 H ASP A 37 -3.364 -4.063 9.946 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.190 -5.493 11.155 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.845 -3.098 11.660 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.417 -3.958 13.125 1.00 0.00 H new ATOM 602 N ASP A 38 -4.224 -6.361 11.832 1.00 0.00 N ATOM 603 CA ASP A 38 -5.061 -7.313 12.555 1.00 0.00 C ATOM 604 C ASP A 38 -4.468 -8.717 12.520 1.00 0.00 C ATOM 605 O ASP A 38 -4.515 -9.442 13.515 1.00 0.00 O ATOM 606 CB ASP A 38 -6.473 -7.330 11.963 1.00 0.00 C ATOM 607 CG ASP A 38 -7.547 -7.263 13.031 1.00 0.00 C ATOM 608 OD1 ASP A 38 -7.804 -8.297 13.682 1.00 0.00 O ATOM 609 OD2 ASP A 38 -8.132 -6.175 13.217 1.00 0.00 O ATOM 0 H ASP A 38 -4.697 -5.881 11.066 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.107 -6.991 13.595 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.589 -6.487 11.282 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.606 -8.237 11.374 1.00 0.00 H new ATOM 614 N MET A 39 -3.914 -9.097 11.372 1.00 0.00 N ATOM 615 CA MET A 39 -3.314 -10.420 11.214 1.00 0.00 C ATOM 616 C MET A 39 -2.703 -10.596 9.826 1.00 0.00 C ATOM 617 O MET A 39 -1.771 -11.380 9.649 1.00 0.00 O ATOM 618 CB MET A 39 -4.360 -11.511 11.456 1.00 0.00 C ATOM 619 CG MET A 39 -5.615 -11.349 10.614 1.00 0.00 C ATOM 620 SD MET A 39 -7.127 -11.536 11.579 1.00 0.00 S ATOM 621 CE MET A 39 -8.013 -12.737 10.588 1.00 0.00 C ATOM 0 H MET A 39 -3.868 -8.510 10.539 1.00 0.00 H new ATOM 0 HA MET A 39 -2.517 -10.509 11.952 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.914 -12.483 11.245 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.637 -11.509 12.510 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.608 -10.366 10.144 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.607 -12.086 9.811 1.00 0.00 H new ATOM 0 HE1 MET A 39 -8.973 -12.957 11.055 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.180 -12.333 9.590 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.426 -13.653 10.515 1.00 0.00 H new ATOM 631 N GLU A 40 -3.241 -9.871 8.846 1.00 0.00 N ATOM 632 CA GLU A 40 -2.758 -9.952 7.469 1.00 0.00 C ATOM 633 C GLU A 40 -1.233 -9.875 7.406 1.00 0.00 C ATOM 634 O GLU A 40 -0.549 -10.895 7.498 1.00 0.00 O ATOM 635 CB GLU A 40 -3.378 -8.836 6.627 1.00 0.00 C ATOM 636 CG GLU A 40 -4.781 -9.152 6.140 1.00 0.00 C ATOM 637 CD GLU A 40 -5.856 -8.631 7.074 1.00 0.00 C ATOM 638 OE1 GLU A 40 -5.900 -9.082 8.238 1.00 0.00 O ATOM 639 OE2 GLU A 40 -6.654 -7.774 6.642 1.00 0.00 O ATOM 0 H GLU A 40 -4.014 -9.219 8.981 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.061 -10.918 7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.404 -7.919 7.216 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.738 -8.643 5.766 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.924 -8.718 5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.890 -10.231 6.034 1.00 0.00 H new ATOM 646 N GLY A 41 -0.701 -8.665 7.244 1.00 0.00 N ATOM 647 CA GLY A 41 0.742 -8.504 7.170 1.00 0.00 C ATOM 648 C GLY A 41 1.226 -7.170 7.705 1.00 0.00 C ATOM 649 O GLY A 41 1.421 -7.005 8.909 1.00 0.00 O ATOM 0 H GLY A 41 -1.237 -7.801 7.163 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.219 -9.307 7.731 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.059 -8.608 6.132 1.00 0.00 H new ATOM 653 N GLN A 42 1.446 -6.230 6.797 1.00 0.00 N ATOM 654 CA GLN A 42 1.939 -4.908 7.138 1.00 0.00 C ATOM 655 C GLN A 42 1.490 -3.945 6.070 1.00 0.00 C ATOM 656 O GLN A 42 1.129 -4.372 4.980 1.00 0.00 O ATOM 657 CB GLN A 42 3.467 -4.913 7.214 1.00 0.00 C ATOM 658 CG GLN A 42 4.078 -3.523 7.286 1.00 0.00 C ATOM 659 CD GLN A 42 5.591 -3.542 7.194 1.00 0.00 C ATOM 660 OE1 GLN A 42 6.260 -4.265 7.933 1.00 0.00 O ATOM 661 NE2 GLN A 42 6.138 -2.744 6.285 1.00 0.00 N ATOM 0 H GLN A 42 1.286 -6.366 5.799 1.00 0.00 H new ATOM 0 HA GLN A 42 1.546 -4.609 8.110 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.777 -5.483 8.090 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.864 -5.430 6.341 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.677 -2.912 6.477 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.781 -3.048 8.221 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.544 -2.162 5.694 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.152 -2.713 6.178 1.00 0.00 H new ATOM 670 N LEU A 43 1.509 -2.654 6.333 1.00 0.00 N ATOM 671 CA LEU A 43 1.097 -1.755 5.296 1.00 0.00 C ATOM 672 C LEU A 43 2.221 -1.724 4.276 1.00 0.00 C ATOM 673 O LEU A 43 3.336 -1.282 4.554 1.00 0.00 O ATOM 674 CB LEU A 43 0.824 -0.360 5.862 1.00 0.00 C ATOM 675 CG LEU A 43 -0.325 0.409 5.205 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.610 -0.399 5.239 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.522 1.748 5.891 1.00 0.00 C ATOM 0 H LEU A 43 1.792 -2.227 7.215 1.00 0.00 H new ATOM 0 HA LEU A 43 0.168 -2.089 4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.611 -0.455 6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.734 0.234 5.770 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.064 0.585 4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.410 0.170 4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.465 -1.336 4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.879 -0.612 6.274 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.342 2.284 5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.758 1.587 6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.392 2.336 5.810 1.00 0.00 H new ATOM 689 N VAL A 44 1.890 -2.258 3.112 1.00 0.00 N ATOM 690 CA VAL A 44 2.801 -2.400 1.984 1.00 0.00 C ATOM 691 C VAL A 44 3.990 -1.456 2.024 1.00 0.00 C ATOM 692 O VAL A 44 5.127 -1.884 2.223 1.00 0.00 O ATOM 693 CB VAL A 44 2.040 -2.217 0.667 1.00 0.00 C ATOM 694 CG1 VAL A 44 1.752 -3.569 0.048 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.749 -1.450 0.903 1.00 0.00 C ATOM 0 H VAL A 44 0.954 -2.615 2.918 1.00 0.00 H new ATOM 0 HA VAL A 44 3.209 -3.408 2.055 1.00 0.00 H new ATOM 0 HB VAL A 44 2.657 -1.640 -0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.211 -3.433 -0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.691 -4.087 -0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.147 -4.162 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.220 -1.328 -0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.121 -2.002 1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.979 -0.469 1.319 1.00 0.00 H new ATOM 705 N SER A 45 3.727 -0.182 1.804 1.00 0.00 N ATOM 706 CA SER A 45 4.787 0.822 1.786 1.00 0.00 C ATOM 707 C SER A 45 5.733 0.543 0.626 1.00 0.00 C ATOM 708 O SER A 45 6.944 0.407 0.807 1.00 0.00 O ATOM 709 CB SER A 45 5.559 0.821 3.104 1.00 0.00 C ATOM 710 OG SER A 45 5.978 2.128 3.451 1.00 0.00 O ATOM 0 H SER A 45 2.791 0.187 1.635 1.00 0.00 H new ATOM 0 HA SER A 45 4.335 1.805 1.658 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.931 0.415 3.897 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.428 0.168 3.020 1.00 0.00 H new ATOM 0 HG SER A 45 6.929 2.115 3.687 1.00 0.00 H new ATOM 716 N ILE A 46 5.153 0.439 -0.562 1.00 0.00 N ATOM 717 CA ILE A 46 5.903 0.150 -1.780 1.00 0.00 C ATOM 718 C ILE A 46 7.157 1.009 -1.893 1.00 0.00 C ATOM 719 O ILE A 46 7.144 2.197 -1.569 1.00 0.00 O ATOM 720 CB ILE A 46 5.039 0.347 -3.045 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.703 1.010 -2.701 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.803 -0.990 -3.728 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.827 1.269 -3.906 1.00 0.00 C ATOM 0 H ILE A 46 4.150 0.552 -0.710 1.00 0.00 H new ATOM 0 HA ILE A 46 6.198 -0.897 -1.711 1.00 0.00 H new ATOM 0 HB ILE A 46 5.577 1.006 -3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.162 0.375 -1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.896 1.955 -2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.193 -0.841 -4.619 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.760 -1.427 -4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.287 -1.662 -3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.898 1.740 -3.586 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.348 1.929 -4.600 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.603 0.325 -4.403 1.00 0.00 H new ATOM 735 N HIS A 47 8.240 0.391 -2.355 1.00 0.00 N ATOM 736 CA HIS A 47 9.514 1.082 -2.515 1.00 0.00 C ATOM 737 C HIS A 47 10.142 0.752 -3.866 1.00 0.00 C ATOM 738 O HIS A 47 11.231 1.230 -4.187 1.00 0.00 O ATOM 739 CB HIS A 47 10.473 0.694 -1.390 1.00 0.00 C ATOM 740 CG HIS A 47 10.452 -0.767 -1.062 1.00 0.00 C ATOM 741 ND1 HIS A 47 9.430 -1.366 -0.356 1.00 0.00 N ATOM 742 CD2 HIS A 47 11.336 -1.752 -1.349 1.00 0.00 C ATOM 743 CE1 HIS A 47 9.687 -2.655 -0.223 1.00 0.00 C ATOM 744 NE2 HIS A 47 10.837 -2.915 -0.817 1.00 0.00 N ATOM 0 H HIS A 47 8.260 -0.592 -2.626 1.00 0.00 H new ATOM 0 HA HIS A 47 9.326 2.155 -2.470 1.00 0.00 H new ATOM 0 HB2 HIS A 47 11.486 0.980 -1.673 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.219 1.262 -0.495 1.00 0.00 H new ATOM 0 HD1 HIS A 47 8.605 -0.889 0.007 1.00 0.00 H new ATOM 0 HD2 HIS A 47 12.261 -1.643 -1.895 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.062 -3.374 0.286 1.00 0.00 H new ATOM 753 N SER A 48 9.449 -0.065 -4.655 1.00 0.00 N ATOM 754 CA SER A 48 9.938 -0.455 -5.968 1.00 0.00 C ATOM 755 C SER A 48 8.958 -0.022 -7.046 1.00 0.00 C ATOM 756 O SER A 48 7.783 -0.383 -7.004 1.00 0.00 O ATOM 757 CB SER A 48 10.150 -1.969 -6.030 1.00 0.00 C ATOM 758 OG SER A 48 11.301 -2.292 -6.790 1.00 0.00 O ATOM 0 H SER A 48 8.546 -0.469 -4.405 1.00 0.00 H new ATOM 0 HA SER A 48 10.893 0.040 -6.142 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.254 -2.366 -5.020 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.274 -2.444 -6.471 1.00 0.00 H new ATOM 0 HG SER A 48 11.415 -3.265 -6.813 1.00 0.00 H new ATOM 764 N PRO A 49 9.426 0.761 -8.034 1.00 0.00 N ATOM 765 CA PRO A 49 8.576 1.233 -9.126 1.00 0.00 C ATOM 766 C PRO A 49 7.726 0.107 -9.700 1.00 0.00 C ATOM 767 O PRO A 49 6.616 0.334 -10.181 1.00 0.00 O ATOM 768 CB PRO A 49 9.582 1.739 -10.158 1.00 0.00 C ATOM 769 CG PRO A 49 10.760 2.169 -9.350 1.00 0.00 C ATOM 770 CD PRO A 49 10.817 1.239 -8.168 1.00 0.00 C ATOM 0 HA PRO A 49 7.865 1.995 -8.807 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.851 0.956 -10.867 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.174 2.567 -10.737 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.677 2.111 -9.936 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.654 3.204 -9.026 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.509 0.415 -8.340 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.152 1.755 -7.268 1.00 0.00 H new ATOM 778 N GLU A 50 8.255 -1.111 -9.630 1.00 0.00 N ATOM 779 CA GLU A 50 7.548 -2.282 -10.124 1.00 0.00 C ATOM 780 C GLU A 50 6.405 -2.659 -9.197 1.00 0.00 C ATOM 781 O GLU A 50 5.295 -2.938 -9.644 1.00 0.00 O ATOM 782 CB GLU A 50 8.503 -3.466 -10.263 1.00 0.00 C ATOM 783 CG GLU A 50 7.807 -4.757 -10.649 1.00 0.00 C ATOM 784 CD GLU A 50 8.649 -5.985 -10.355 1.00 0.00 C ATOM 785 OE1 GLU A 50 9.014 -6.187 -9.179 1.00 0.00 O ATOM 786 OE2 GLU A 50 8.943 -6.742 -11.303 1.00 0.00 O ATOM 0 H GLU A 50 9.174 -1.310 -9.234 1.00 0.00 H new ATOM 0 HA GLU A 50 7.139 -2.033 -11.103 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.257 -3.229 -11.014 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.028 -3.613 -9.319 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.862 -4.831 -10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.567 -4.732 -11.712 1.00 0.00 H new ATOM 793 N GLU A 51 6.693 -2.679 -7.900 1.00 0.00 N ATOM 794 CA GLU A 51 5.694 -3.034 -6.905 1.00 0.00 C ATOM 795 C GLU A 51 4.553 -2.024 -6.899 1.00 0.00 C ATOM 796 O GLU A 51 3.383 -2.399 -6.850 1.00 0.00 O ATOM 797 CB GLU A 51 6.338 -3.128 -5.522 1.00 0.00 C ATOM 798 CG GLU A 51 7.437 -4.172 -5.431 1.00 0.00 C ATOM 799 CD GLU A 51 8.058 -4.246 -4.049 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.454 -3.187 -3.519 1.00 0.00 O ATOM 801 OE2 GLU A 51 8.149 -5.364 -3.499 1.00 0.00 O ATOM 0 H GLU A 51 7.610 -2.453 -7.516 1.00 0.00 H new ATOM 0 HA GLU A 51 5.280 -4.008 -7.164 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.750 -2.155 -5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.567 -3.359 -4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.029 -5.148 -5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.212 -3.943 -6.162 1.00 0.00 H new ATOM 808 N GLN A 52 4.900 -0.742 -6.964 1.00 0.00 N ATOM 809 CA GLN A 52 3.896 0.317 -6.983 1.00 0.00 C ATOM 810 C GLN A 52 3.051 0.208 -8.245 1.00 0.00 C ATOM 811 O GLN A 52 1.835 0.372 -8.209 1.00 0.00 O ATOM 812 CB GLN A 52 4.562 1.697 -6.892 1.00 0.00 C ATOM 813 CG GLN A 52 4.907 2.311 -8.243 1.00 0.00 C ATOM 814 CD GLN A 52 3.891 3.341 -8.714 1.00 0.00 C ATOM 815 OE1 GLN A 52 4.184 4.154 -9.591 1.00 0.00 O ATOM 816 NE2 GLN A 52 2.690 3.315 -8.140 1.00 0.00 N ATOM 0 H GLN A 52 5.864 -0.412 -7.004 1.00 0.00 H new ATOM 0 HA GLN A 52 3.246 0.200 -6.116 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.898 2.375 -6.356 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.474 1.610 -6.301 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.888 2.781 -8.180 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.981 1.517 -8.987 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.485 2.626 -7.417 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.975 3.984 -8.424 1.00 0.00 H new ATOM 825 N ASP A 53 3.712 -0.091 -9.356 1.00 0.00 N ATOM 826 CA ASP A 53 3.041 -0.253 -10.633 1.00 0.00 C ATOM 827 C ASP A 53 2.172 -1.500 -10.602 1.00 0.00 C ATOM 828 O ASP A 53 1.108 -1.552 -11.218 1.00 0.00 O ATOM 829 CB ASP A 53 4.062 -0.351 -11.767 1.00 0.00 C ATOM 830 CG ASP A 53 3.441 -0.108 -13.129 1.00 0.00 C ATOM 831 OD1 ASP A 53 2.984 -1.086 -13.755 1.00 0.00 O ATOM 832 OD2 ASP A 53 3.412 1.061 -13.568 1.00 0.00 O ATOM 0 H ASP A 53 4.722 -0.227 -9.395 1.00 0.00 H new ATOM 0 HA ASP A 53 2.411 0.619 -10.812 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.858 0.375 -11.599 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.523 -1.339 -11.752 1.00 0.00 H new ATOM 837 N PHE A 54 2.658 -2.512 -9.891 1.00 0.00 N ATOM 838 CA PHE A 54 1.967 -3.782 -9.775 1.00 0.00 C ATOM 839 C PHE A 54 0.590 -3.614 -9.148 1.00 0.00 C ATOM 840 O PHE A 54 -0.411 -4.076 -9.698 1.00 0.00 O ATOM 841 CB PHE A 54 2.808 -4.717 -8.914 1.00 0.00 C ATOM 842 CG PHE A 54 3.285 -5.935 -9.643 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.444 -7.017 -9.826 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.574 -5.997 -10.143 1.00 0.00 C ATOM 845 CE1 PHE A 54 2.877 -8.142 -10.497 1.00 0.00 C ATOM 846 CE2 PHE A 54 5.018 -7.118 -10.815 1.00 0.00 C ATOM 847 CZ PHE A 54 4.167 -8.194 -10.993 1.00 0.00 C ATOM 0 H PHE A 54 3.541 -2.471 -9.381 1.00 0.00 H new ATOM 0 HA PHE A 54 1.829 -4.197 -10.774 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.671 -4.170 -8.534 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.221 -5.028 -8.049 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.436 -6.981 -9.439 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.240 -5.158 -10.006 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.210 -8.980 -10.635 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.026 -7.155 -11.200 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.509 -9.073 -11.518 1.00 0.00 H new ATOM 857 N LEU A 55 0.539 -2.939 -8.009 1.00 0.00 N ATOM 858 CA LEU A 55 -0.725 -2.699 -7.331 1.00 0.00 C ATOM 859 C LEU A 55 -1.520 -1.644 -8.076 1.00 0.00 C ATOM 860 O LEU A 55 -2.747 -1.689 -8.121 1.00 0.00 O ATOM 861 CB LEU A 55 -0.498 -2.258 -5.892 1.00 0.00 C ATOM 862 CG LEU A 55 0.738 -1.403 -5.676 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.364 0.065 -5.709 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.404 -1.767 -4.362 1.00 0.00 C ATOM 0 H LEU A 55 1.355 -2.549 -7.537 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.287 -3.633 -7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.372 -1.700 -5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.424 -3.145 -5.262 1.00 0.00 H new ATOM 0 HG LEU A 55 1.450 -1.593 -6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.256 0.671 -5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.075 0.307 -6.677 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.359 0.274 -4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.289 -1.147 -4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.706 -1.599 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.696 -2.817 -4.381 1.00 0.00 H new ATOM 876 N THR A 56 -0.800 -0.695 -8.663 1.00 0.00 N ATOM 877 CA THR A 56 -1.418 0.377 -9.419 1.00 0.00 C ATOM 878 C THR A 56 -2.206 -0.212 -10.581 1.00 0.00 C ATOM 879 O THR A 56 -3.319 0.219 -10.879 1.00 0.00 O ATOM 880 CB THR A 56 -0.343 1.348 -9.924 1.00 0.00 C ATOM 881 OG1 THR A 56 -0.492 2.623 -9.325 1.00 0.00 O ATOM 882 CG2 THR A 56 -0.352 1.546 -11.423 1.00 0.00 C ATOM 0 H THR A 56 0.218 -0.650 -8.627 1.00 0.00 H new ATOM 0 HA THR A 56 -2.103 0.931 -8.777 1.00 0.00 H new ATOM 0 HB THR A 56 0.603 0.884 -9.645 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.205 3.225 -9.660 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.436 2.245 -11.702 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.181 0.590 -11.917 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.318 1.946 -11.731 1.00 0.00 H new ATOM 890 N LYS A 57 -1.621 -1.224 -11.212 1.00 0.00 N ATOM 891 CA LYS A 57 -2.261 -1.908 -12.319 1.00 0.00 C ATOM 892 C LYS A 57 -3.375 -2.791 -11.783 1.00 0.00 C ATOM 893 O LYS A 57 -4.423 -2.946 -12.412 1.00 0.00 O ATOM 894 CB LYS A 57 -1.245 -2.749 -13.093 1.00 0.00 C ATOM 895 CG LYS A 57 -1.227 -2.462 -14.585 1.00 0.00 C ATOM 896 CD LYS A 57 -0.078 -1.542 -14.962 1.00 0.00 C ATOM 897 CE LYS A 57 -0.499 -0.082 -14.930 1.00 0.00 C ATOM 898 NZ LYS A 57 0.112 0.698 -16.042 1.00 0.00 N ATOM 0 H LYS A 57 -0.699 -1.587 -10.970 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.678 -1.169 -13.003 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.251 -2.568 -12.685 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.466 -3.805 -12.937 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.140 -3.399 -15.136 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.172 -2.005 -14.880 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.754 -1.697 -14.275 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.281 -1.796 -15.959 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.585 -0.016 -14.995 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.209 0.358 -13.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.200 1.688 -15.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.148 0.657 -15.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.185 0.294 -16.953 1.00 0.00 H new ATOM 912 N HIS A 58 -3.142 -3.354 -10.600 1.00 0.00 N ATOM 913 CA HIS A 58 -4.124 -4.208 -9.954 1.00 0.00 C ATOM 914 C HIS A 58 -5.344 -3.389 -9.552 1.00 0.00 C ATOM 915 O HIS A 58 -6.467 -3.894 -9.531 1.00 0.00 O ATOM 916 CB HIS A 58 -3.519 -4.883 -8.724 1.00 0.00 C ATOM 917 CG HIS A 58 -4.273 -6.098 -8.280 1.00 0.00 C ATOM 918 ND1 HIS A 58 -5.240 -6.067 -7.296 1.00 0.00 N ATOM 919 CD2 HIS A 58 -4.200 -7.387 -8.690 1.00 0.00 C ATOM 920 CE1 HIS A 58 -5.726 -7.283 -7.121 1.00 0.00 C ATOM 921 NE2 HIS A 58 -5.113 -8.101 -7.955 1.00 0.00 N ATOM 0 H HIS A 58 -2.278 -3.231 -10.072 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.430 -4.980 -10.659 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.489 -5.164 -8.943 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.486 -4.165 -7.904 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -5.534 -5.235 -6.784 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -3.545 -7.780 -9.454 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.495 -7.560 -6.415 1.00 0.00 H new ATOM 983 N GLY A 63 -7.888 3.010 -5.953 1.00 0.00 N ATOM 984 CA GLY A 63 -6.492 3.014 -5.552 1.00 0.00 C ATOM 985 C GLY A 63 -6.214 2.083 -4.389 1.00 0.00 C ATOM 986 O GLY A 63 -7.136 1.536 -3.788 1.00 0.00 O ATOM 0 HA2 GLY A 63 -5.874 2.723 -6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.200 4.028 -5.278 1.00 0.00 H new ATOM 990 N SER A 64 -4.936 1.913 -4.069 1.00 0.00 N ATOM 991 CA SER A 64 -4.520 1.046 -2.970 1.00 0.00 C ATOM 992 C SER A 64 -3.884 1.864 -1.854 1.00 0.00 C ATOM 993 O SER A 64 -3.466 3.001 -2.073 1.00 0.00 O ATOM 994 CB SER A 64 -3.536 -0.011 -3.474 1.00 0.00 C ATOM 995 OG SER A 64 -2.337 0.003 -2.716 1.00 0.00 O ATOM 0 H SER A 64 -4.165 2.367 -4.558 1.00 0.00 H new ATOM 0 HA SER A 64 -5.403 0.546 -2.573 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.996 -0.998 -3.415 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.308 0.172 -4.524 1.00 0.00 H new ATOM 0 HG SER A 64 -1.726 -0.683 -3.058 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.794 1.285 -0.659 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.189 1.990 0.463 1.00 0.00 C ATOM 1003 C TRP A 65 -1.808 1.441 0.747 1.00 0.00 C ATOM 1004 O TRP A 65 -1.611 0.229 0.818 1.00 0.00 O ATOM 1005 CB TRP A 65 -4.065 1.904 1.716 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.115 2.970 1.762 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -4.920 4.299 2.006 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.519 2.803 1.548 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.117 4.969 1.958 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.115 4.072 1.677 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.331 1.704 1.259 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.487 4.267 1.524 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.690 1.901 1.108 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.255 3.174 1.240 1.00 0.00 C ATOM 0 H TRP A 65 -4.127 0.345 -0.446 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.102 3.041 0.189 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.545 0.926 1.752 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.434 1.983 2.601 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.963 4.757 2.208 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.243 5.970 2.107 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.904 0.717 1.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -8.927 5.248 1.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.327 1.058 0.884 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.321 3.295 1.115 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.852 2.343 0.896 1.00 0.00 N ATOM 1026 CA ILE A 66 0.520 1.959 1.157 1.00 0.00 C ATOM 1027 C ILE A 66 0.943 2.338 2.566 1.00 0.00 C ATOM 1028 O ILE A 66 0.254 3.089 3.254 1.00 0.00 O ATOM 1029 CB ILE A 66 1.483 2.585 0.132 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.798 4.035 0.500 1.00 0.00 C ATOM 1031 CG2 ILE A 66 0.878 2.501 -1.265 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.337 4.850 -0.657 1.00 0.00 C ATOM 0 H ILE A 66 -1.005 3.350 0.840 1.00 0.00 H new ATOM 0 HA ILE A 66 0.571 0.874 1.061 1.00 0.00 H new ATOM 0 HB ILE A 66 2.419 2.027 0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.893 4.510 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.526 4.045 1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.564 2.946 -1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.706 1.457 -1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.069 3.041 -1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.538 5.868 -0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.260 4.399 -1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.602 4.871 -1.461 1.00 0.00 H new ATOM 1044 N GLY A 67 2.073 1.793 2.987 1.00 0.00 N ATOM 1045 CA GLY A 67 2.593 2.054 4.313 1.00 0.00 C ATOM 1046 C GLY A 67 3.186 3.437 4.454 1.00 0.00 C ATOM 1047 O GLY A 67 4.337 3.584 4.861 1.00 0.00 O ATOM 0 H GLY A 67 2.647 1.165 2.425 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.792 1.932 5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.355 1.312 4.551 1.00 0.00 H new ATOM 1051 N LEU A 68 2.405 4.454 4.116 1.00 0.00 N ATOM 1052 CA LEU A 68 2.879 5.825 4.208 1.00 0.00 C ATOM 1053 C LEU A 68 1.993 6.693 5.094 1.00 0.00 C ATOM 1054 O LEU A 68 0.780 6.781 4.900 1.00 0.00 O ATOM 1055 CB LEU A 68 2.972 6.457 2.820 1.00 0.00 C ATOM 1056 CG LEU A 68 3.891 7.678 2.733 1.00 0.00 C ATOM 1057 CD1 LEU A 68 3.240 8.897 3.371 1.00 0.00 C ATOM 1058 CD2 LEU A 68 5.220 7.386 3.402 1.00 0.00 C ATOM 0 H LEU A 68 1.448 4.356 3.778 1.00 0.00 H new ATOM 0 HA LEU A 68 3.868 5.778 4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.324 5.703 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.971 6.749 2.501 1.00 0.00 H new ATOM 0 HG LEU A 68 4.065 7.896 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.914 9.751 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.308 9.124 2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.032 8.691 4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.863 8.263 3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.053 7.141 4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.700 6.544 2.904 1.00 0.00 H new ATOM 1070 N ARG A 69 2.636 7.365 6.039 1.00 0.00 N ATOM 1071 CA ARG A 69 1.967 8.281 6.948 1.00 0.00 C ATOM 1072 C ARG A 69 2.824 9.535 7.116 1.00 0.00 C ATOM 1073 O ARG A 69 3.976 9.449 7.538 1.00 0.00 O ATOM 1074 CB ARG A 69 1.718 7.605 8.301 1.00 0.00 C ATOM 1075 CG ARG A 69 1.758 8.556 9.488 1.00 0.00 C ATOM 1076 CD ARG A 69 1.854 7.800 10.804 1.00 0.00 C ATOM 1077 NE ARG A 69 1.046 8.420 11.850 1.00 0.00 N ATOM 1078 CZ ARG A 69 -0.026 7.849 12.392 1.00 0.00 C ATOM 1079 NH1 ARG A 69 -0.417 6.648 11.987 1.00 0.00 N ATOM 1080 NH2 ARG A 69 -0.707 8.478 13.339 1.00 0.00 N ATOM 0 H ARG A 69 3.641 7.289 6.196 1.00 0.00 H new ATOM 0 HA ARG A 69 0.999 8.563 6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.745 7.113 8.276 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.465 6.825 8.448 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.611 9.227 9.389 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.862 9.177 9.488 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.527 6.771 10.656 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.895 7.761 11.125 1.00 0.00 H new ATOM 0 HE ARG A 69 1.319 9.344 12.184 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.105 6.161 11.259 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.239 6.212 12.404 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.409 9.402 13.653 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.529 8.039 13.754 1.00 0.00 H new ATOM 1094 N ASN A 70 2.270 10.694 6.778 1.00 0.00 N ATOM 1095 CA ASN A 70 3.017 11.944 6.891 1.00 0.00 C ATOM 1096 C ASN A 70 2.786 12.603 8.246 1.00 0.00 C ATOM 1097 O ASN A 70 1.672 12.606 8.767 1.00 0.00 O ATOM 1098 CB ASN A 70 2.632 12.900 5.757 1.00 0.00 C ATOM 1099 CG ASN A 70 2.578 14.348 6.205 1.00 0.00 C ATOM 1100 OD1 ASN A 70 1.505 14.947 6.279 1.00 0.00 O ATOM 1101 ND2 ASN A 70 3.740 14.918 6.507 1.00 0.00 N ATOM 0 H ASN A 70 1.318 10.796 6.427 1.00 0.00 H new ATOM 0 HA ASN A 70 4.079 11.711 6.808 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.352 12.802 4.945 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.660 12.611 5.358 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.766 15.890 6.815 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.605 14.383 6.431 1.00 0.00 H new ATOM 1202 N PHE A 77 6.951 12.728 4.854 1.00 0.00 N ATOM 1203 CA PHE A 77 6.308 11.425 4.755 1.00 0.00 C ATOM 1204 C PHE A 77 7.164 10.324 5.378 1.00 0.00 C ATOM 1205 O PHE A 77 8.323 10.127 5.012 1.00 0.00 O ATOM 1206 CB PHE A 77 5.978 11.085 3.292 1.00 0.00 C ATOM 1207 CG PHE A 77 7.097 11.299 2.294 1.00 0.00 C ATOM 1208 CD1 PHE A 77 8.360 11.729 2.684 1.00 0.00 C ATOM 1209 CD2 PHE A 77 6.874 11.054 0.947 1.00 0.00 C ATOM 1210 CE1 PHE A 77 9.368 11.912 1.757 1.00 0.00 C ATOM 1211 CE2 PHE A 77 7.880 11.235 0.016 1.00 0.00 C ATOM 1212 CZ PHE A 77 9.127 11.665 0.421 1.00 0.00 C ATOM 0 HA PHE A 77 5.376 11.481 5.318 1.00 0.00 H new ATOM 0 HB2 PHE A 77 5.668 10.041 3.243 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.123 11.686 2.984 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.556 11.923 3.728 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.901 10.717 0.621 1.00 0.00 H new ATOM 0 HE1 PHE A 77 10.343 12.248 2.078 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.690 11.040 -1.029 1.00 0.00 H new ATOM 0 HZ PHE A 77 9.913 11.808 -0.306 1.00 0.00 H new ATOM 1222 N ILE A 78 6.571 9.605 6.324 1.00 0.00 N ATOM 1223 CA ILE A 78 7.246 8.515 7.012 1.00 0.00 C ATOM 1224 C ILE A 78 6.438 7.228 6.879 1.00 0.00 C ATOM 1225 O ILE A 78 5.211 7.254 6.925 1.00 0.00 O ATOM 1226 CB ILE A 78 7.477 8.849 8.505 1.00 0.00 C ATOM 1227 CG1 ILE A 78 8.890 9.427 8.693 1.00 0.00 C ATOM 1228 CG2 ILE A 78 7.248 7.621 9.383 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.756 8.680 9.690 1.00 0.00 C ATOM 0 H ILE A 78 5.612 9.762 6.634 1.00 0.00 H new ATOM 0 HA ILE A 78 8.221 8.375 6.545 1.00 0.00 H new ATOM 0 HB ILE A 78 6.753 9.602 8.818 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.396 9.434 7.727 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.803 10.465 9.015 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.417 7.884 10.427 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.223 7.270 9.258 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.940 6.831 9.091 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.732 9.160 9.755 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.278 8.695 10.670 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.880 7.648 9.362 1.00 0.00 H new ATOM 1241 N TRP A 79 7.126 6.108 6.705 1.00 0.00 N ATOM 1242 CA TRP A 79 6.451 4.824 6.550 1.00 0.00 C ATOM 1243 C TRP A 79 5.895 4.338 7.883 1.00 0.00 C ATOM 1244 O TRP A 79 6.413 4.680 8.945 1.00 0.00 O ATOM 1245 CB TRP A 79 7.417 3.771 5.994 1.00 0.00 C ATOM 1246 CG TRP A 79 7.925 4.067 4.612 1.00 0.00 C ATOM 1247 CD1 TRP A 79 7.654 5.166 3.850 1.00 0.00 C ATOM 1248 CD2 TRP A 79 8.798 3.243 3.829 1.00 0.00 C ATOM 1249 NE1 TRP A 79 8.302 5.076 2.643 1.00 0.00 N ATOM 1250 CE2 TRP A 79 9.011 3.906 2.605 1.00 0.00 C ATOM 1251 CE3 TRP A 79 9.419 2.010 4.046 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 9.821 3.375 1.604 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 10.222 1.486 3.050 1.00 0.00 C ATOM 1254 CH2 TRP A 79 10.417 2.168 1.843 1.00 0.00 C ATOM 0 H TRP A 79 8.144 6.061 6.668 1.00 0.00 H new ATOM 0 HA TRP A 79 5.627 4.966 5.850 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.268 3.682 6.670 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.915 2.803 5.985 1.00 0.00 H new ATOM 0 HD1 TRP A 79 7.022 5.987 4.152 1.00 0.00 H new ATOM 0 HE1 TRP A 79 8.262 5.769 1.896 1.00 0.00 H new ATOM 0 HE3 TRP A 79 9.274 1.477 4.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 9.973 3.898 0.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 10.707 0.534 3.206 1.00 0.00 H new ATOM 0 HH2 TRP A 79 11.051 1.732 1.085 1.00 0.00 H new ATOM 1265 N VAL A 80 4.837 3.535 7.814 1.00 0.00 N ATOM 1266 CA VAL A 80 4.209 2.987 9.011 1.00 0.00 C ATOM 1267 C VAL A 80 5.214 2.151 9.797 1.00 0.00 C ATOM 1268 O VAL A 80 5.098 1.993 11.013 1.00 0.00 O ATOM 1269 CB VAL A 80 2.982 2.118 8.649 1.00 0.00 C ATOM 1270 CG1 VAL A 80 3.230 1.364 7.358 1.00 0.00 C ATOM 1271 CG2 VAL A 80 2.631 1.158 9.778 1.00 0.00 C ATOM 0 H VAL A 80 4.396 3.249 6.940 1.00 0.00 H new ATOM 0 HA VAL A 80 3.872 3.822 9.625 1.00 0.00 H new ATOM 0 HB VAL A 80 2.130 2.782 8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.357 0.757 7.118 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.412 2.074 6.551 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.100 0.718 7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.764 0.562 9.492 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.477 0.499 9.971 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.400 1.725 10.679 1.00 0.00 H new ATOM 1281 N ASP A 81 6.207 1.629 9.086 1.00 0.00 N ATOM 1282 CA ASP A 81 7.246 0.814 9.702 1.00 0.00 C ATOM 1283 C ASP A 81 8.252 1.693 10.437 1.00 0.00 C ATOM 1284 O ASP A 81 9.148 1.195 11.118 1.00 0.00 O ATOM 1285 CB ASP A 81 7.962 -0.022 8.640 1.00 0.00 C ATOM 1286 CG ASP A 81 8.705 -1.201 9.236 1.00 0.00 C ATOM 1287 OD1 ASP A 81 8.058 -2.233 9.513 1.00 0.00 O ATOM 1288 OD2 ASP A 81 9.935 -1.093 9.427 1.00 0.00 O ATOM 0 H ASP A 81 6.314 1.757 8.080 1.00 0.00 H new ATOM 0 HA ASP A 81 6.775 0.145 10.423 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.233 -0.384 7.915 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.665 0.610 8.097 1.00 0.00 H new ATOM 1293 N GLY A 82 8.086 3.003 10.296 1.00 0.00 N ATOM 1294 CA GLY A 82 8.972 3.942 10.952 1.00 0.00 C ATOM 1295 C GLY A 82 10.220 4.240 10.144 1.00 0.00 C ATOM 1296 O GLY A 82 11.318 4.316 10.697 1.00 0.00 O ATOM 0 H GLY A 82 7.349 3.432 9.736 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.435 4.872 11.137 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.261 3.542 11.924 1.00 0.00 H new ATOM 1300 N SER A 83 10.057 4.409 8.834 1.00 0.00 N ATOM 1301 CA SER A 83 11.191 4.700 7.962 1.00 0.00 C ATOM 1302 C SER A 83 10.828 5.739 6.903 1.00 0.00 C ATOM 1303 O SER A 83 9.879 5.557 6.144 1.00 0.00 O ATOM 1304 CB SER A 83 11.683 3.419 7.287 1.00 0.00 C ATOM 1305 OG SER A 83 12.667 2.772 8.074 1.00 0.00 O ATOM 0 H SER A 83 9.158 4.350 8.356 1.00 0.00 H new ATOM 0 HA SER A 83 11.989 5.111 8.581 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.842 2.745 7.124 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.096 3.657 6.307 1.00 0.00 H new ATOM 0 HG SER A 83 12.963 1.955 7.621 1.00 0.00 H new ATOM 1311 N HIS A 84 11.595 6.827 6.855 1.00 0.00 N ATOM 1312 CA HIS A 84 11.361 7.892 5.890 1.00 0.00 C ATOM 1313 C HIS A 84 11.301 7.338 4.469 1.00 0.00 C ATOM 1314 O HIS A 84 11.933 6.327 4.159 1.00 0.00 O ATOM 1315 CB HIS A 84 12.464 8.943 5.997 1.00 0.00 C ATOM 1316 CG HIS A 84 13.833 8.408 5.706 1.00 0.00 C ATOM 1317 ND1 HIS A 84 14.382 8.396 4.441 1.00 0.00 N ATOM 1318 CD2 HIS A 84 14.765 7.865 6.524 1.00 0.00 C ATOM 1319 CE1 HIS A 84 15.593 7.869 4.493 1.00 0.00 C ATOM 1320 NE2 HIS A 84 15.848 7.539 5.746 1.00 0.00 N ATOM 0 H HIS A 84 12.386 6.991 7.477 1.00 0.00 H new ATOM 0 HA HIS A 84 10.400 8.355 6.116 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.247 9.757 5.306 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.455 9.367 7.001 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.674 7.716 7.590 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.260 7.732 3.654 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.711 7.111 6.082 1.00 0.00 H new ATOM 1329 N VAL A 85 10.531 8.002 3.615 1.00 0.00 N ATOM 1330 CA VAL A 85 10.376 7.574 2.230 1.00 0.00 C ATOM 1331 C VAL A 85 11.686 7.662 1.454 1.00 0.00 C ATOM 1332 O VAL A 85 12.236 8.746 1.261 1.00 0.00 O ATOM 1333 CB VAL A 85 9.305 8.413 1.508 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.201 8.026 0.043 1.00 0.00 C ATOM 1335 CG2 VAL A 85 7.971 8.246 2.202 1.00 0.00 C ATOM 0 H VAL A 85 10.003 8.840 3.858 1.00 0.00 H new ATOM 0 HA VAL A 85 10.062 6.531 2.262 1.00 0.00 H new ATOM 0 HB VAL A 85 9.599 9.462 1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.437 8.635 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.161 8.192 -0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.930 6.973 -0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.216 8.841 1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.680 7.196 2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.054 8.580 3.236 1.00 0.00 H new ATOM 1345 N ASP A 86 12.167 6.509 0.996 1.00 0.00 N ATOM 1346 CA ASP A 86 13.398 6.445 0.222 1.00 0.00 C ATOM 1347 C ASP A 86 13.113 6.800 -1.233 1.00 0.00 C ATOM 1348 O ASP A 86 13.812 7.613 -1.838 1.00 0.00 O ATOM 1349 CB ASP A 86 14.012 5.047 0.311 1.00 0.00 C ATOM 1350 CG ASP A 86 14.240 4.608 1.744 1.00 0.00 C ATOM 1351 OD1 ASP A 86 15.278 4.993 2.324 1.00 0.00 O ATOM 1352 OD2 ASP A 86 13.383 3.881 2.287 1.00 0.00 O ATOM 0 H ASP A 86 11.720 5.605 1.150 1.00 0.00 H new ATOM 0 HA ASP A 86 14.109 7.162 0.632 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.356 4.332 -0.185 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.961 5.035 -0.226 1.00 0.00 H new ATOM 1357 N TYR A 87 12.064 6.191 -1.778 1.00 0.00 N ATOM 1358 CA TYR A 87 11.652 6.443 -3.153 1.00 0.00 C ATOM 1359 C TYR A 87 10.178 6.823 -3.198 1.00 0.00 C ATOM 1360 O TYR A 87 9.309 6.017 -2.865 1.00 0.00 O ATOM 1361 CB TYR A 87 11.886 5.216 -4.034 1.00 0.00 C ATOM 1362 CG TYR A 87 13.192 4.500 -3.767 1.00 0.00 C ATOM 1363 CD1 TYR A 87 13.310 3.593 -2.721 1.00 0.00 C ATOM 1364 CD2 TYR A 87 14.305 4.729 -4.565 1.00 0.00 C ATOM 1365 CE1 TYR A 87 14.501 2.936 -2.478 1.00 0.00 C ATOM 1366 CE2 TYR A 87 15.499 4.076 -4.328 1.00 0.00 C ATOM 1367 CZ TYR A 87 15.592 3.181 -3.284 1.00 0.00 C ATOM 1368 OH TYR A 87 16.780 2.529 -3.045 1.00 0.00 O ATOM 0 H TYR A 87 11.481 5.515 -1.284 1.00 0.00 H new ATOM 0 HA TYR A 87 12.255 7.266 -3.536 1.00 0.00 H new ATOM 0 HB2 TYR A 87 11.064 4.515 -3.887 1.00 0.00 H new ATOM 0 HB3 TYR A 87 11.860 5.523 -5.080 1.00 0.00 H new ATOM 0 HD1 TYR A 87 12.457 3.398 -2.088 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.236 5.429 -5.384 1.00 0.00 H new ATOM 0 HE1 TYR A 87 14.577 2.234 -1.661 1.00 0.00 H new ATOM 0 HE2 TYR A 87 16.356 4.266 -4.958 1.00 0.00 H new ATOM 0 HH TYR A 87 17.448 2.814 -3.704 1.00 0.00 H new ATOM 1378 N SER A 88 9.904 8.052 -3.608 1.00 0.00 N ATOM 1379 CA SER A 88 8.532 8.538 -3.696 1.00 0.00 C ATOM 1380 C SER A 88 8.034 8.484 -5.133 1.00 0.00 C ATOM 1381 O SER A 88 8.811 8.254 -6.060 1.00 0.00 O ATOM 1382 CB SER A 88 8.435 9.967 -3.161 1.00 0.00 C ATOM 1383 OG SER A 88 9.619 10.697 -3.434 1.00 0.00 O ATOM 0 H SER A 88 10.612 8.732 -3.885 1.00 0.00 H new ATOM 0 HA SER A 88 7.903 7.891 -3.085 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.581 10.471 -3.614 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.258 9.945 -2.086 1.00 0.00 H new ATOM 0 HG SER A 88 9.530 11.608 -3.083 1.00 0.00 H new ATOM 1389 N ASN A 89 6.734 8.685 -5.311 1.00 0.00 N ATOM 1390 CA ASN A 89 6.138 8.644 -6.638 1.00 0.00 C ATOM 1391 C ASN A 89 5.208 9.836 -6.874 1.00 0.00 C ATOM 1392 O ASN A 89 4.721 10.020 -7.989 1.00 0.00 O ATOM 1393 CB ASN A 89 5.386 7.326 -6.817 1.00 0.00 C ATOM 1394 CG ASN A 89 6.305 6.185 -7.197 1.00 0.00 C ATOM 1395 OD1 ASN A 89 5.773 4.970 -7.176 1.00 0.00 O flip ATOM 1396 ND2 ASN A 89 7.478 6.390 -7.506 1.00 0.00 N flip ATOM 0 H ASN A 89 6.076 8.877 -4.556 1.00 0.00 H new ATOM 0 HA ASN A 89 6.936 8.708 -7.378 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.867 7.078 -5.891 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.624 7.447 -7.587 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.846 7.341 -7.509 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.083 5.609 -7.759 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.582 11.021 4.374 1.00 0.00 N ATOM 1599 CA CYS A 104 -1.358 9.685 3.831 1.00 0.00 C ATOM 1600 C CYS A 104 -1.129 9.740 2.326 1.00 0.00 C ATOM 1601 O CYS A 104 -1.520 10.698 1.657 1.00 0.00 O ATOM 1602 CB CYS A 104 -2.555 8.780 4.130 1.00 0.00 C ATOM 1603 SG CYS A 104 -4.155 9.650 4.155 1.00 0.00 S ATOM 0 HA CYS A 104 -0.467 9.277 4.308 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -2.595 7.989 3.381 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -2.400 8.298 5.095 1.00 0.00 H new ATOM 0 HG CYS A 104 -3.953 10.926 4.304 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.504 8.699 1.796 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.242 8.620 0.372 1.00 0.00 C ATOM 1610 C VAL A 105 -1.154 7.593 -0.280 1.00 0.00 C ATOM 1611 O VAL A 105 -1.339 6.490 0.235 1.00 0.00 O ATOM 1612 CB VAL A 105 1.227 8.265 0.078 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.410 7.887 -1.383 1.00 0.00 C ATOM 1614 CG2 VAL A 105 2.128 9.433 0.432 1.00 0.00 C ATOM 0 H VAL A 105 -0.170 7.899 2.333 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.443 9.606 -0.047 1.00 0.00 H new ATOM 0 HB VAL A 105 1.501 7.406 0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.456 7.640 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.787 7.023 -1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.119 8.726 -2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.164 9.170 0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.846 10.303 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.022 9.666 1.492 1.00 0.00 H new ATOM 1624 N MET A 106 -1.719 7.968 -1.416 1.00 0.00 N ATOM 1625 CA MET A 106 -2.612 7.097 -2.152 1.00 0.00 C ATOM 1626 C MET A 106 -2.030 6.793 -3.521 1.00 0.00 C ATOM 1627 O MET A 106 -1.080 7.436 -3.957 1.00 0.00 O ATOM 1628 CB MET A 106 -3.987 7.747 -2.301 1.00 0.00 C ATOM 1629 CG MET A 106 -3.934 9.163 -2.851 1.00 0.00 C ATOM 1630 SD MET A 106 -5.464 10.075 -2.571 1.00 0.00 S ATOM 1631 CE MET A 106 -5.065 11.646 -3.332 1.00 0.00 C ATOM 0 H MET A 106 -1.571 8.879 -1.849 1.00 0.00 H new ATOM 0 HA MET A 106 -2.725 6.165 -1.598 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.601 7.133 -2.960 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.480 7.762 -1.329 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.106 9.698 -2.386 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.729 9.126 -3.921 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.916 12.321 -3.240 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.200 12.083 -2.833 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.836 11.492 -4.387 1.00 0.00 H new ATOM 1641 N MET A 107 -2.596 5.808 -4.191 1.00 0.00 N ATOM 1642 CA MET A 107 -2.124 5.422 -5.508 1.00 0.00 C ATOM 1643 C MET A 107 -3.275 5.464 -6.509 1.00 0.00 C ATOM 1644 O MET A 107 -4.341 4.905 -6.257 1.00 0.00 O ATOM 1645 CB MET A 107 -1.505 4.018 -5.437 1.00 0.00 C ATOM 1646 CG MET A 107 -1.646 3.201 -6.708 1.00 0.00 C ATOM 1647 SD MET A 107 -3.221 2.328 -6.816 1.00 0.00 S ATOM 1648 CE MET A 107 -3.748 2.787 -8.466 1.00 0.00 C ATOM 0 H MET A 107 -3.384 5.260 -3.845 1.00 0.00 H new ATOM 0 HA MET A 107 -1.360 6.123 -5.844 1.00 0.00 H new ATOM 0 HB2 MET A 107 -0.446 4.114 -5.198 1.00 0.00 H new ATOM 0 HB3 MET A 107 -1.969 3.472 -4.616 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.543 3.860 -7.570 1.00 0.00 H new ATOM 0 HG3 MET A 107 -0.832 2.478 -6.760 1.00 0.00 H new ATOM 0 HE1 MET A 107 -4.102 1.902 -8.994 1.00 0.00 H new ATOM 0 HE2 MET A 107 -4.554 3.518 -8.400 1.00 0.00 H new ATOM 0 HE3 MET A 107 -2.908 3.221 -9.009 1.00 0.00 H new ATOM 1707 N ARG A 112 0.337 6.038 -10.383 1.00 0.00 N ATOM 1708 CA ARG A 112 1.437 6.323 -9.474 1.00 0.00 C ATOM 1709 C ARG A 112 0.934 6.610 -8.060 1.00 0.00 C ATOM 1710 O ARG A 112 -0.073 6.055 -7.619 1.00 0.00 O ATOM 1711 CB ARG A 112 2.257 7.506 -9.995 1.00 0.00 C ATOM 1712 CG ARG A 112 1.410 8.674 -10.476 1.00 0.00 C ATOM 1713 CD ARG A 112 2.163 9.530 -11.481 1.00 0.00 C ATOM 1714 NE ARG A 112 1.363 10.661 -11.945 1.00 0.00 N ATOM 1715 CZ ARG A 112 1.707 11.438 -12.968 1.00 0.00 C ATOM 1716 NH1 ARG A 112 2.832 11.206 -13.633 1.00 0.00 N ATOM 1717 NH2 ARG A 112 0.926 12.447 -13.328 1.00 0.00 N ATOM 0 HA ARG A 112 2.072 5.439 -9.428 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.921 7.853 -9.203 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.889 7.165 -10.815 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.494 8.298 -10.931 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.115 9.286 -9.624 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.082 9.899 -11.026 1.00 0.00 H new ATOM 0 HD3 ARG A 112 2.453 8.917 -12.334 1.00 0.00 H new ATOM 0 HE ARG A 112 0.491 10.866 -11.457 1.00 0.00 H new ATOM 0 HH11 ARG A 112 3.435 10.430 -13.360 1.00 0.00 H new ATOM 0 HH12 ARG A 112 3.093 11.804 -14.417 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.060 12.628 -12.820 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.191 13.042 -14.113 1.00 0.00 H new ATOM 1731 N TRP A 113 1.656 7.473 -7.356 1.00 0.00 N ATOM 1732 CA TRP A 113 1.329 7.850 -5.990 1.00 0.00 C ATOM 1733 C TRP A 113 0.788 9.256 -5.914 1.00 0.00 C ATOM 1734 O TRP A 113 0.997 10.073 -6.807 1.00 0.00 O ATOM 1735 CB TRP A 113 2.563 7.834 -5.100 1.00 0.00 C ATOM 1736 CG TRP A 113 3.093 6.490 -4.763 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.924 5.331 -5.452 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.920 6.189 -3.645 1.00 0.00 C ATOM 1739 NE1 TRP A 113 3.603 4.317 -4.826 1.00 0.00 N ATOM 1740 CE2 TRP A 113 4.221 4.820 -3.707 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.431 6.955 -2.596 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 5.020 4.192 -2.754 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 5.223 6.335 -1.648 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.512 4.964 -1.733 1.00 0.00 C ATOM 0 H TRP A 113 2.490 7.933 -7.721 1.00 0.00 H new ATOM 0 HA TRP A 113 0.587 7.124 -5.657 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.352 8.403 -5.593 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.326 8.355 -4.172 1.00 0.00 H new ATOM 0 HD1 TRP A 113 2.343 5.224 -6.356 1.00 0.00 H new ATOM 0 HE1 TRP A 113 3.643 3.347 -5.140 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.212 8.010 -2.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.243 3.137 -2.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.625 6.914 -0.830 1.00 0.00 H new ATOM 0 HH2 TRP A 113 6.135 4.507 -0.978 1.00 0.00 H new ATOM 1755 N ASN A 114 0.153 9.537 -4.798 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.359 10.858 -4.520 1.00 0.00 C ATOM 1757 C ASN A 114 -0.186 11.142 -3.034 1.00 0.00 C ATOM 1758 O ASN A 114 -0.707 10.417 -2.188 1.00 0.00 O ATOM 1759 CB ASN A 114 -1.833 10.963 -4.917 1.00 0.00 C ATOM 1760 CG ASN A 114 -2.013 11.272 -6.390 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -1.810 12.405 -6.828 1.00 0.00 O ATOM 1762 ND2 ASN A 114 -2.398 10.263 -7.164 1.00 0.00 N ATOM 0 H ASN A 114 -0.022 8.856 -4.059 1.00 0.00 H new ATOM 0 HA ASN A 114 0.193 11.594 -5.104 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -2.338 10.026 -4.680 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -2.312 11.742 -4.324 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -2.537 10.411 -8.164 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -2.555 9.340 -6.759 1.00 0.00 H new ATOM 1769 N ASP A 115 0.551 12.193 -2.724 1.00 0.00 N ATOM 1770 CA ASP A 115 0.801 12.572 -1.343 1.00 0.00 C ATOM 1771 C ASP A 115 -0.139 13.700 -0.926 1.00 0.00 C ATOM 1772 O ASP A 115 0.089 14.864 -1.259 1.00 0.00 O ATOM 1773 CB ASP A 115 2.264 12.996 -1.179 1.00 0.00 C ATOM 1774 CG ASP A 115 2.769 12.794 0.236 1.00 0.00 C ATOM 1775 OD1 ASP A 115 2.172 13.373 1.168 1.00 0.00 O ATOM 1776 OD2 ASP A 115 3.761 12.056 0.414 1.00 0.00 O ATOM 0 H ASP A 115 0.990 12.803 -3.414 1.00 0.00 H new ATOM 0 HA ASP A 115 0.611 11.715 -0.696 1.00 0.00 H new ATOM 0 HB2 ASP A 115 2.885 12.424 -1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.368 14.046 -1.453 1.00 0.00 H new ATOM 1781 N ALA A 116 -1.208 13.349 -0.211 1.00 0.00 N ATOM 1782 CA ALA A 116 -2.186 14.331 0.228 1.00 0.00 C ATOM 1783 C ALA A 116 -2.965 13.842 1.443 1.00 0.00 C ATOM 1784 O ALA A 116 -2.980 12.652 1.748 1.00 0.00 O ATOM 1785 CB ALA A 116 -3.139 14.669 -0.908 1.00 0.00 C ATOM 0 H ALA A 116 -1.414 12.392 0.074 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.645 15.231 0.521 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.866 15.405 -0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.575 15.078 -1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.660 13.766 -1.227 1.00 0.00 H new ATOM 1879 N LEU A 122 -9.680 6.047 -1.011 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.501 5.038 -2.050 1.00 0.00 C ATOM 1881 C LEU A 122 -10.554 3.941 -1.931 1.00 0.00 C ATOM 1882 O LEU A 122 -11.636 4.167 -1.387 1.00 0.00 O ATOM 1883 CB LEU A 122 -8.099 4.435 -1.963 1.00 0.00 C ATOM 1884 CG LEU A 122 -6.958 5.422 -2.208 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -6.660 6.220 -0.950 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -5.713 4.692 -2.680 1.00 0.00 C ATOM 0 HA LEU A 122 -9.620 5.521 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -7.971 3.991 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -8.022 3.625 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.269 6.115 -2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -5.845 6.917 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.549 6.776 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.372 5.541 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.912 5.411 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.402 3.974 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.930 4.166 -3.609 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.237 2.754 -2.442 1.00 0.00 N ATOM 1899 CA GLY A 123 -11.177 1.653 -2.378 1.00 0.00 C ATOM 1900 C GLY A 123 -10.513 0.292 -2.490 1.00 0.00 C ATOM 1901 O GLY A 123 -11.146 -0.674 -2.916 1.00 0.00 O ATOM 0 H GLY A 123 -9.350 2.538 -2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.725 1.706 -1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.908 1.761 -3.180 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.242 0.205 -2.103 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.523 -1.066 -2.165 1.00 0.00 C ATOM 1907 C ALA A 124 -7.561 -1.222 -0.996 1.00 0.00 C ATOM 1908 O ALA A 124 -6.788 -0.317 -0.687 1.00 0.00 O ATOM 1909 CB ALA A 124 -7.781 -1.206 -3.484 1.00 0.00 C ATOM 0 H ALA A 124 -8.694 0.989 -1.747 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.264 -1.862 -2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.254 -2.160 -3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.493 -1.166 -4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.063 -0.392 -3.586 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.617 -2.382 -0.351 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.755 -2.665 0.791 1.00 0.00 C ATOM 1917 C TRP A 125 -5.549 -3.500 0.378 1.00 0.00 C ATOM 1918 O TRP A 125 -5.678 -4.691 0.096 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.541 -3.400 1.882 1.00 0.00 C ATOM 1920 CG TRP A 125 -8.645 -2.586 2.490 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -9.077 -1.353 2.092 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -9.459 -2.953 3.611 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -10.108 -0.932 2.896 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -10.361 -1.896 3.835 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -9.513 -4.073 4.445 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -11.305 -1.926 4.860 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -10.450 -4.101 5.461 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -11.334 -3.035 5.661 1.00 0.00 C ATOM 0 H TRP A 125 -8.250 -3.142 -0.599 1.00 0.00 H new ATOM 0 HA TRP A 125 -6.398 -1.712 1.182 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -7.965 -4.311 1.459 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -6.852 -3.705 2.669 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -8.668 -0.791 1.266 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -10.604 -0.045 2.808 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -8.835 -4.901 4.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -11.988 -1.104 5.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -10.501 -4.961 6.112 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -12.054 -3.089 6.464 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.378 -2.873 0.356 1.00 0.00 N ATOM 1940 CA VAL A 126 -3.156 -3.566 -0.008 1.00 0.00 C ATOM 1941 C VAL A 126 -2.224 -3.663 1.201 1.00 0.00 C ATOM 1942 O VAL A 126 -1.971 -2.676 1.891 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.440 -2.868 -1.182 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -0.983 -3.253 -1.231 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -3.096 -3.227 -2.498 1.00 0.00 C ATOM 0 H VAL A 126 -4.253 -1.887 0.586 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.425 -4.571 -0.333 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.518 -1.793 -1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.501 -2.747 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.497 -2.959 -0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.896 -4.332 -1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.576 -2.724 -3.313 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -3.047 -4.306 -2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.139 -2.910 -2.483 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.742 -4.872 1.453 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.860 -5.153 2.581 1.00 0.00 C ATOM 1957 C CYS A 127 0.306 -6.021 2.137 1.00 0.00 C ATOM 1958 O CYS A 127 0.289 -6.570 1.044 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.623 -5.852 3.708 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.357 -5.321 3.878 1.00 0.00 S ATOM 0 H CYS A 127 -1.951 -5.689 0.880 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.478 -4.203 2.955 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.600 -6.928 3.534 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -1.105 -5.670 4.650 1.00 0.00 H new ATOM 1965 N ASP A 128 1.323 -6.132 2.979 1.00 0.00 N ATOM 1966 CA ASP A 128 2.482 -6.939 2.654 1.00 0.00 C ATOM 1967 C ASP A 128 2.749 -7.944 3.765 1.00 0.00 C ATOM 1968 O ASP A 128 2.554 -7.655 4.943 1.00 0.00 O ATOM 1969 CB ASP A 128 3.699 -6.043 2.447 1.00 0.00 C ATOM 1970 CG ASP A 128 5.008 -6.771 2.681 1.00 0.00 C ATOM 1971 OD1 ASP A 128 5.380 -7.610 1.833 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.661 -6.504 3.711 1.00 0.00 O ATOM 0 H ASP A 128 1.366 -5.673 3.889 1.00 0.00 H new ATOM 0 HA ASP A 128 2.286 -7.485 1.731 1.00 0.00 H new ATOM 0 HB2 ASP A 128 3.685 -5.647 1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.636 -5.190 3.123 1.00 0.00 H new ATOM 1977 N ARG A 129 3.194 -9.126 3.373 1.00 0.00 N ATOM 1978 CA ARG A 129 3.491 -10.189 4.320 1.00 0.00 C ATOM 1979 C ARG A 129 4.485 -11.168 3.717 1.00 0.00 C ATOM 1980 O ARG A 129 4.486 -11.392 2.509 1.00 0.00 O ATOM 1981 CB ARG A 129 2.207 -10.921 4.719 1.00 0.00 C ATOM 1982 CG ARG A 129 2.426 -12.029 5.738 1.00 0.00 C ATOM 1983 CD ARG A 129 2.619 -11.470 7.138 1.00 0.00 C ATOM 1984 NE ARG A 129 3.055 -12.495 8.081 1.00 0.00 N ATOM 1985 CZ ARG A 129 3.678 -12.227 9.225 1.00 0.00 C ATOM 1986 NH1 ARG A 129 3.936 -10.972 9.567 1.00 0.00 N ATOM 1987 NH2 ARG A 129 4.042 -13.217 10.030 1.00 0.00 N ATOM 0 H ARG A 129 3.359 -9.375 2.398 1.00 0.00 H new ATOM 0 HA ARG A 129 3.932 -9.745 5.213 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.500 -10.199 5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.749 -11.346 3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.571 -12.706 5.730 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.300 -12.616 5.456 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.356 -10.667 7.109 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.683 -11.032 7.486 1.00 0.00 H new ATOM 0 HE ARG A 129 2.872 -13.471 7.850 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.656 -10.208 8.952 1.00 0.00 H new ATOM 0 HH12 ARG A 129 4.414 -10.771 10.445 1.00 0.00 H new ATOM 0 HH21 ARG A 129 3.844 -14.184 9.771 1.00 0.00 H new ATOM 0 HH22 ARG A 129 4.520 -13.011 10.907 1.00 0.00 H new ATOM 2001 N LEU A 130 5.323 -11.753 4.557 1.00 0.00 N ATOM 2002 CA LEU A 130 6.315 -12.710 4.086 1.00 0.00 C ATOM 2003 C LEU A 130 5.644 -13.972 3.554 1.00 0.00 C ATOM 2004 O LEU A 130 4.676 -14.464 4.134 1.00 0.00 O ATOM 2005 CB LEU A 130 7.294 -13.053 5.210 1.00 0.00 C ATOM 2006 CG LEU A 130 8.486 -12.096 5.360 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.749 -12.731 4.799 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.210 -10.761 4.674 1.00 0.00 C ATOM 0 H LEU A 130 5.338 -11.585 5.563 1.00 0.00 H new ATOM 0 HA LEU A 130 6.871 -12.254 3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.746 -13.074 6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.677 -14.059 5.041 1.00 0.00 H new ATOM 0 HG LEU A 130 8.633 -11.904 6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.585 -12.041 4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.964 -13.653 5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.605 -12.955 3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.071 -10.104 4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 130 8.029 -10.928 3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.332 -10.296 5.123 1.00 0.00 H new ATOM 2020 N ALA A 131 6.161 -14.478 2.436 1.00 0.00 N ATOM 2021 CA ALA A 131 5.617 -15.676 1.802 1.00 0.00 C ATOM 2022 C ALA A 131 5.372 -16.789 2.815 1.00 0.00 C ATOM 2023 O ALA A 131 5.991 -16.824 3.879 1.00 0.00 O ATOM 2024 CB ALA A 131 6.552 -16.159 0.704 1.00 0.00 C ATOM 0 H ALA A 131 6.961 -14.074 1.949 1.00 0.00 H new ATOM 0 HA ALA A 131 4.655 -15.411 1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 131 6.136 -17.053 0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 131 6.665 -15.378 -0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 131 7.526 -16.393 1.133 1.00 0.00 H new