USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 995 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 26 THR OG1 : rot 180:sc= 0.448 USER MOD Set 1.2: A 27 ASN : amide:sc= 0.348 X(o=0.8,f=1.2) USER MOD Single : A 12 LYS NZ :NH3+ 152:sc= -0.0442 (180deg=-0.736) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0104 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.185 F(o=-0.79,f=-0.18) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 66:sc= -4.19! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS :FLIP no HD1:sc= -10.9! C(o=-13!,f=-11!) USER MOD Single : A 31 THR OG1 : rot -76:sc= 0.721 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0509 K(o=-0.051,f=-1!) USER MOD Single : A 42 GLN : amide:sc= -0.176 K(o=-0.18,f=-0.92) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 132:sc= -3.79! USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 55 ASN : amide:sc= -4.08! C(o=-4.1!,f=-19!) USER MOD Single : A 56 ASN : amide:sc= -0.791 X(o=-0.79,f=-0.47) USER MOD Single : A 60 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.0081) USER MOD Single : A 61 SER OG : rot 89:sc= 0.0435 USER MOD Single : A 63 ASN : amide:sc= -0.0314 K(o=-0.031,f=-2.6) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.5) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 78 CYS SG : rot 9:sc= -1.34 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0.68 K(o=0.68,f=-8!) USER MOD Single : A 84 THR OG1 : rot -170:sc= 0 USER MOD Single : A 87 THR OG1 : rot 70:sc= 0.629 USER MOD Single : A 89 CYS SG : rot 64:sc= 0.00305 USER MOD Single : A 90 CYS SG : rot -26:sc=0.000797 USER MOD Single : A 92 THR OG1 : rot 167:sc= 0.0651 USER MOD Single : A 95 MET CE :methyl -143:sc= 0 (180deg=-0.273) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -124:sc= -1.45 (180deg=-2.68) USER MOD Single : A 118 THR OG1 : rot 72:sc= -0.039 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot -90:sc= 0.452 USER MOD Single : A 125 THR OG1 : rot -68:sc= 1.09 USER MOD Single : A 131 THR OG1 : rot -63:sc= 0.773 USER MOD ----------------------------------------------------------------- ATOM 98 N PRO A 10 12.120 1.504 7.293 1.00 0.00 N ATOM 99 CA PRO A 10 11.348 0.479 6.584 1.00 0.00 C ATOM 100 C PRO A 10 10.696 1.019 5.316 1.00 0.00 C ATOM 101 O PRO A 10 10.702 0.361 4.275 1.00 0.00 O ATOM 102 CB PRO A 10 10.281 0.072 7.602 1.00 0.00 C ATOM 103 CG PRO A 10 10.128 1.260 8.488 1.00 0.00 C ATOM 104 CD PRO A 10 11.488 1.897 8.563 1.00 0.00 C ATOM 0 HA PRO A 10 11.976 -0.347 6.251 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.341 -0.179 7.111 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.589 -0.807 8.168 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.393 1.956 8.084 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.779 0.966 9.478 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.419 2.981 8.659 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.054 1.536 9.422 1.00 0.00 H new ATOM 112 N TRP A 11 10.134 2.218 5.409 1.00 0.00 N ATOM 113 CA TRP A 11 9.478 2.846 4.268 1.00 0.00 C ATOM 114 C TRP A 11 10.505 3.380 3.275 1.00 0.00 C ATOM 115 O TRP A 11 10.340 3.244 2.063 1.00 0.00 O ATOM 116 CB TRP A 11 8.567 3.981 4.739 1.00 0.00 C ATOM 117 CG TRP A 11 9.310 5.240 5.071 1.00 0.00 C ATOM 118 CD1 TRP A 11 10.053 5.482 6.191 1.00 0.00 C ATOM 119 CD2 TRP A 11 9.380 6.429 4.276 1.00 0.00 C ATOM 120 NE1 TRP A 11 10.580 6.750 6.140 1.00 0.00 N ATOM 121 CE2 TRP A 11 10.183 7.351 4.975 1.00 0.00 C ATOM 122 CE3 TRP A 11 8.844 6.804 3.041 1.00 0.00 C ATOM 123 CZ2 TRP A 11 10.460 8.622 4.480 1.00 0.00 C ATOM 124 CZ3 TRP A 11 9.119 8.066 2.551 1.00 0.00 C ATOM 125 CH2 TRP A 11 9.922 8.963 3.268 1.00 0.00 C ATOM 0 H TRP A 11 10.119 2.775 6.263 1.00 0.00 H new ATOM 0 HA TRP A 11 8.875 2.090 3.766 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.833 4.195 3.962 1.00 0.00 H new ATOM 0 HB3 TRP A 11 8.013 3.652 5.618 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.204 4.780 6.998 1.00 0.00 H new ATOM 0 HE1 TRP A 11 11.171 7.175 6.854 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.226 6.119 2.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 11.077 9.315 5.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.708 8.367 1.599 1.00 0.00 H new ATOM 0 HH2 TRP A 11 10.120 9.942 2.857 1.00 0.00 H new ATOM 136 N LYS A 12 11.565 3.987 3.797 1.00 0.00 N ATOM 137 CA LYS A 12 12.621 4.540 2.956 1.00 0.00 C ATOM 138 C LYS A 12 12.810 3.700 1.697 1.00 0.00 C ATOM 139 O LYS A 12 12.696 4.206 0.581 1.00 0.00 O ATOM 140 CB LYS A 12 13.936 4.613 3.735 1.00 0.00 C ATOM 141 CG LYS A 12 14.240 5.995 4.288 1.00 0.00 C ATOM 142 CD LYS A 12 13.032 6.593 4.989 1.00 0.00 C ATOM 143 CE LYS A 12 13.448 7.513 6.127 1.00 0.00 C ATOM 144 NZ LYS A 12 14.659 8.307 5.784 1.00 0.00 N ATOM 0 H LYS A 12 11.716 4.109 4.798 1.00 0.00 H new ATOM 0 HA LYS A 12 12.325 5.546 2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.900 3.901 4.559 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.753 4.304 3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.074 5.933 4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.553 6.652 3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.431 7.150 4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.402 5.793 5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.627 8.189 6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.644 6.920 7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.647 9.204 6.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.511 7.768 6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.667 8.505 4.763 1.00 0.00 H new ATOM 158 N GLN A 13 13.097 2.416 1.885 1.00 0.00 N ATOM 159 CA GLN A 13 13.301 1.507 0.763 1.00 0.00 C ATOM 160 C GLN A 13 11.988 1.241 0.033 1.00 0.00 C ATOM 161 O GLN A 13 11.939 1.249 -1.198 1.00 0.00 O ATOM 162 CB GLN A 13 13.903 0.189 1.250 1.00 0.00 C ATOM 163 CG GLN A 13 13.072 -0.501 2.321 1.00 0.00 C ATOM 164 CD GLN A 13 13.833 -1.604 3.030 1.00 0.00 C ATOM 165 OE1 GLN A 13 13.933 -2.725 2.531 1.00 0.00 O ATOM 166 NE2 GLN A 13 14.376 -1.291 4.200 1.00 0.00 N ATOM 0 H GLN A 13 13.193 1.982 2.803 1.00 0.00 H new ATOM 0 HA GLN A 13 13.994 1.979 0.067 1.00 0.00 H new ATOM 0 HB2 GLN A 13 14.017 -0.484 0.401 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.902 0.379 1.643 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.744 0.237 3.053 1.00 0.00 H new ATOM 0 HG3 GLN A 13 12.174 -0.919 1.866 1.00 0.00 H new ATOM 0 HE21 GLN A 13 14.268 -0.349 4.577 1.00 0.00 H new ATOM 0 HE22 GLN A 13 14.901 -1.992 4.723 1.00 0.00 H new ATOM 175 N CYS A 14 10.928 1.007 0.798 1.00 0.00 N ATOM 176 CA CYS A 14 9.615 0.737 0.224 1.00 0.00 C ATOM 177 C CYS A 14 9.304 1.714 -0.906 1.00 0.00 C ATOM 178 O CYS A 14 8.952 1.307 -2.012 1.00 0.00 O ATOM 179 CB CYS A 14 8.535 0.827 1.303 1.00 0.00 C ATOM 180 SG CYS A 14 6.942 0.125 0.814 1.00 0.00 S ATOM 0 H CYS A 14 10.952 0.999 1.818 1.00 0.00 H new ATOM 0 HA CYS A 14 9.626 -0.273 -0.186 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.887 0.313 2.198 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.392 1.874 1.572 1.00 0.00 H new ATOM 0 HG CYS A 14 6.095 0.247 1.793 1.00 0.00 H new ATOM 186 N ALA A 15 9.436 3.005 -0.618 1.00 0.00 N ATOM 187 CA ALA A 15 9.170 4.040 -1.609 1.00 0.00 C ATOM 188 C ALA A 15 9.580 3.581 -3.005 1.00 0.00 C ATOM 189 O ALA A 15 8.827 3.740 -3.965 1.00 0.00 O ATOM 190 CB ALA A 15 9.897 5.324 -1.239 1.00 0.00 C ATOM 0 H ALA A 15 9.726 3.359 0.294 1.00 0.00 H new ATOM 0 HA ALA A 15 8.097 4.233 -1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.689 6.088 -1.988 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.553 5.669 -0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.970 5.136 -1.200 1.00 0.00 H new ATOM 196 N GLN A 16 10.777 3.013 -3.108 1.00 0.00 N ATOM 197 CA GLN A 16 11.286 2.534 -4.388 1.00 0.00 C ATOM 198 C GLN A 16 10.326 1.526 -5.012 1.00 0.00 C ATOM 199 O GLN A 16 9.699 1.804 -6.035 1.00 0.00 O ATOM 200 CB GLN A 16 12.665 1.897 -4.205 1.00 0.00 C ATOM 201 CG GLN A 16 13.727 2.873 -3.726 1.00 0.00 C ATOM 202 CD GLN A 16 14.030 3.954 -4.744 1.00 0.00 C ATOM 203 OE1 GLN A 16 13.201 4.991 -4.772 1.00 0.00 O flip ATOM 204 NE2 GLN A 16 14.998 3.858 -5.499 1.00 0.00 N flip ATOM 0 H GLN A 16 11.412 2.873 -2.322 1.00 0.00 H new ATOM 0 HA GLN A 16 11.374 3.388 -5.059 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.586 1.079 -3.489 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.984 1.462 -5.152 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.396 3.337 -2.797 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.642 2.326 -3.500 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.609 3.043 -5.443 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.188 4.593 -6.180 1.00 0.00 H new ATOM 213 N TRP A 17 10.218 0.357 -4.392 1.00 0.00 N ATOM 214 CA TRP A 17 9.334 -0.692 -4.888 1.00 0.00 C ATOM 215 C TRP A 17 8.063 -0.096 -5.483 1.00 0.00 C ATOM 216 O TRP A 17 7.667 -0.441 -6.598 1.00 0.00 O ATOM 217 CB TRP A 17 8.978 -1.662 -3.761 1.00 0.00 C ATOM 218 CG TRP A 17 8.224 -2.869 -4.232 1.00 0.00 C ATOM 219 CD1 TRP A 17 8.694 -3.865 -5.040 1.00 0.00 C ATOM 220 CD2 TRP A 17 6.867 -3.206 -3.925 1.00 0.00 C ATOM 221 NE1 TRP A 17 7.710 -4.800 -5.254 1.00 0.00 N ATOM 222 CE2 TRP A 17 6.580 -4.419 -4.580 1.00 0.00 C ATOM 223 CE3 TRP A 17 5.867 -2.601 -3.159 1.00 0.00 C ATOM 224 CZ2 TRP A 17 5.335 -5.036 -4.492 1.00 0.00 C ATOM 225 CZ3 TRP A 17 4.631 -3.215 -3.073 1.00 0.00 C ATOM 226 CH2 TRP A 17 4.374 -4.422 -3.735 1.00 0.00 C ATOM 0 H TRP A 17 10.731 0.111 -3.545 1.00 0.00 H new ATOM 0 HA TRP A 17 9.860 -1.235 -5.673 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.894 -1.985 -3.266 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.381 -1.138 -3.015 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.692 -3.911 -5.450 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.806 -5.641 -5.823 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.056 -1.671 -2.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 5.135 -5.966 -5.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.850 -2.756 -2.485 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.399 -4.877 -3.647 1.00 0.00 H new ATOM 237 N LEU A 18 7.427 0.799 -4.736 1.00 0.00 N ATOM 238 CA LEU A 18 6.200 1.443 -5.190 1.00 0.00 C ATOM 239 C LEU A 18 6.395 2.076 -6.564 1.00 0.00 C ATOM 240 O LEU A 18 5.662 1.775 -7.507 1.00 0.00 O ATOM 241 CB LEU A 18 5.755 2.506 -4.184 1.00 0.00 C ATOM 242 CG LEU A 18 5.412 2.001 -2.782 1.00 0.00 C ATOM 243 CD1 LEU A 18 5.517 3.129 -1.768 1.00 0.00 C ATOM 244 CD2 LEU A 18 4.018 1.391 -2.762 1.00 0.00 C ATOM 0 H LEU A 18 7.741 1.096 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 18 5.425 0.680 -5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.547 3.250 -4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.881 3.017 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 18 6.130 1.227 -2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.269 2.751 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.534 3.521 -1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.823 3.925 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.790 1.037 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.287 2.144 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.977 0.554 -3.459 1.00 0.00 H new ATOM 256 N ILE A 19 7.387 2.953 -6.670 1.00 0.00 N ATOM 257 CA ILE A 19 7.680 3.626 -7.929 1.00 0.00 C ATOM 258 C ILE A 19 7.795 2.626 -9.074 1.00 0.00 C ATOM 259 O ILE A 19 7.274 2.853 -10.167 1.00 0.00 O ATOM 260 CB ILE A 19 8.984 4.441 -7.843 1.00 0.00 C ATOM 261 CG1 ILE A 19 8.895 5.468 -6.712 1.00 0.00 C ATOM 262 CG2 ILE A 19 9.268 5.130 -9.169 1.00 0.00 C ATOM 263 CD1 ILE A 19 10.224 6.100 -6.364 1.00 0.00 C ATOM 0 H ILE A 19 8.002 3.214 -5.899 1.00 0.00 H new ATOM 0 HA ILE A 19 6.849 4.304 -8.123 1.00 0.00 H new ATOM 0 HB ILE A 19 9.807 3.759 -7.627 1.00 0.00 H new ATOM 0 HG12 ILE A 19 8.193 6.251 -6.998 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.488 4.984 -5.824 1.00 0.00 H new ATOM 0 HG21 ILE A 19 10.193 5.702 -9.091 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.370 4.381 -9.954 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.445 5.802 -9.413 1.00 0.00 H new ATOM 0 HD11 ILE A 19 10.085 6.817 -5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 19 10.923 5.326 -6.047 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.623 6.613 -7.239 1.00 0.00 H new ATOM 275 N HIS A 20 8.478 1.515 -8.816 1.00 0.00 N ATOM 276 CA HIS A 20 8.659 0.477 -9.824 1.00 0.00 C ATOM 277 C HIS A 20 7.353 -0.272 -10.074 1.00 0.00 C ATOM 278 O HIS A 20 7.073 -0.693 -11.197 1.00 0.00 O ATOM 279 CB HIS A 20 9.747 -0.504 -9.387 1.00 0.00 C ATOM 280 CG HIS A 20 11.126 -0.096 -9.808 1.00 0.00 C ATOM 281 ND1 HIS A 20 11.730 -0.559 -10.958 1.00 0.00 N ATOM 282 CD2 HIS A 20 12.019 0.738 -9.225 1.00 0.00 C ATOM 283 CE1 HIS A 20 12.935 -0.028 -11.064 1.00 0.00 C ATOM 284 NE2 HIS A 20 13.135 0.763 -10.025 1.00 0.00 N ATOM 0 H HIS A 20 8.915 1.311 -7.917 1.00 0.00 H new ATOM 0 HA HIS A 20 8.965 0.958 -10.753 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.722 -0.602 -8.302 1.00 0.00 H new ATOM 0 HB3 HIS A 20 9.526 -1.488 -9.801 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.880 1.282 -8.303 1.00 0.00 H new ATOM 0 HE1 HIS A 20 13.637 -0.210 -11.864 1.00 0.00 H new ATOM 0 HE2 HIS A 20 13.981 1.304 -9.846 1.00 0.00 H new ATOM 293 N CYS A 21 6.560 -0.433 -9.021 1.00 0.00 N ATOM 294 CA CYS A 21 5.284 -1.133 -9.126 1.00 0.00 C ATOM 295 C CYS A 21 4.302 -0.347 -9.989 1.00 0.00 C ATOM 296 O CYS A 21 3.194 -0.807 -10.265 1.00 0.00 O ATOM 297 CB CYS A 21 4.689 -1.362 -7.736 1.00 0.00 C ATOM 298 SG CYS A 21 5.635 -2.511 -6.709 1.00 0.00 S ATOM 0 H CYS A 21 6.777 -0.089 -8.086 1.00 0.00 H new ATOM 0 HA CYS A 21 5.465 -2.098 -9.600 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.618 -0.404 -7.220 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.673 -1.741 -7.845 1.00 0.00 H new ATOM 0 HG CYS A 21 6.799 -1.997 -6.442 1.00 0.00 H new ATOM 304 N LYS A 22 4.715 0.843 -10.412 1.00 0.00 N ATOM 305 CA LYS A 22 3.874 1.695 -11.243 1.00 0.00 C ATOM 306 C LYS A 22 2.721 2.279 -10.433 1.00 0.00 C ATOM 307 O LYS A 22 1.571 2.268 -10.873 1.00 0.00 O ATOM 308 CB LYS A 22 3.325 0.902 -12.431 1.00 0.00 C ATOM 309 CG LYS A 22 4.374 0.058 -13.136 1.00 0.00 C ATOM 310 CD LYS A 22 5.303 0.915 -13.979 1.00 0.00 C ATOM 311 CE LYS A 22 5.879 0.128 -15.147 1.00 0.00 C ATOM 312 NZ LYS A 22 4.981 0.160 -16.334 1.00 0.00 N ATOM 0 H LYS A 22 5.629 1.239 -10.192 1.00 0.00 H new ATOM 0 HA LYS A 22 4.487 2.516 -11.614 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.522 0.252 -12.083 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.886 1.595 -13.149 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.956 -0.493 -12.397 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.883 -0.680 -13.770 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.759 1.781 -14.355 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.115 1.293 -13.358 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.852 0.538 -15.417 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.042 -0.906 -14.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.409 -0.387 -17.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.061 -0.255 -16.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.845 1.145 -16.640 1.00 0.00 H new ATOM 326 N VAL A 23 3.036 2.789 -9.246 1.00 0.00 N ATOM 327 CA VAL A 23 2.027 3.379 -8.375 1.00 0.00 C ATOM 328 C VAL A 23 2.382 4.819 -8.020 1.00 0.00 C ATOM 329 O VAL A 23 1.502 5.647 -7.783 1.00 0.00 O ATOM 330 CB VAL A 23 1.862 2.567 -7.077 1.00 0.00 C ATOM 331 CG1 VAL A 23 1.290 1.190 -7.377 1.00 0.00 C ATOM 332 CG2 VAL A 23 3.191 2.454 -6.347 1.00 0.00 C ATOM 0 H VAL A 23 3.982 2.805 -8.866 1.00 0.00 H new ATOM 0 HA VAL A 23 1.086 3.365 -8.925 1.00 0.00 H new ATOM 0 HB VAL A 23 1.161 3.091 -6.428 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.181 0.631 -6.448 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.315 1.297 -7.853 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.964 0.654 -8.046 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.056 1.877 -5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.917 1.953 -6.988 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.555 3.451 -6.097 1.00 0.00 H new ATOM 342 N LEU A 24 3.678 5.111 -7.984 1.00 0.00 N ATOM 343 CA LEU A 24 4.151 6.452 -7.658 1.00 0.00 C ATOM 344 C LEU A 24 5.212 6.912 -8.653 1.00 0.00 C ATOM 345 O LEU A 24 5.988 6.116 -9.181 1.00 0.00 O ATOM 346 CB LEU A 24 4.719 6.482 -6.238 1.00 0.00 C ATOM 347 CG LEU A 24 3.731 6.168 -5.113 1.00 0.00 C ATOM 348 CD1 LEU A 24 4.474 5.848 -3.826 1.00 0.00 C ATOM 349 CD2 LEU A 24 2.774 7.332 -4.904 1.00 0.00 C ATOM 0 H LEU A 24 4.419 4.437 -8.176 1.00 0.00 H new ATOM 0 HA LEU A 24 3.303 7.135 -7.718 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.541 5.769 -6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.142 7.470 -6.058 1.00 0.00 H new ATOM 0 HG LEU A 24 3.148 5.292 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.756 5.627 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.118 4.983 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.082 6.704 -3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.078 7.091 -4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.340 8.225 -4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.217 7.515 -5.823 1.00 0.00 H new ATOM 361 N PRO A 25 5.249 8.227 -8.913 1.00 0.00 N ATOM 362 CA PRO A 25 6.213 8.823 -9.843 1.00 0.00 C ATOM 363 C PRO A 25 7.638 8.790 -9.301 1.00 0.00 C ATOM 364 O PRO A 25 7.856 8.563 -8.111 1.00 0.00 O ATOM 365 CB PRO A 25 5.726 10.268 -9.980 1.00 0.00 C ATOM 366 CG PRO A 25 4.984 10.539 -8.717 1.00 0.00 C ATOM 367 CD PRO A 25 4.354 9.234 -8.318 1.00 0.00 C ATOM 0 HA PRO A 25 6.256 8.282 -10.788 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.561 10.957 -10.104 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.082 10.388 -10.851 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.657 10.901 -7.940 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.226 11.308 -8.867 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.296 9.130 -7.234 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.338 9.145 -8.701 1.00 0.00 H new ATOM 375 N THR A 26 8.606 9.020 -10.182 1.00 0.00 N ATOM 376 CA THR A 26 10.011 9.016 -9.793 1.00 0.00 C ATOM 377 C THR A 26 10.371 10.280 -9.021 1.00 0.00 C ATOM 378 O THR A 26 11.308 10.287 -8.224 1.00 0.00 O ATOM 379 CB THR A 26 10.934 8.897 -11.020 1.00 0.00 C ATOM 380 OG1 THR A 26 10.849 10.086 -11.814 1.00 0.00 O ATOM 381 CG2 THR A 26 10.558 7.689 -11.865 1.00 0.00 C ATOM 0 H THR A 26 8.443 9.212 -11.170 1.00 0.00 H new ATOM 0 HA THR A 26 10.159 8.147 -9.152 1.00 0.00 H new ATOM 0 HB THR A 26 11.957 8.769 -10.666 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.440 10.003 -12.591 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.224 7.626 -12.726 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.652 6.783 -11.266 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.529 7.792 -12.209 1.00 0.00 H new ATOM 389 N ASN A 27 9.619 11.350 -9.263 1.00 0.00 N ATOM 390 CA ASN A 27 9.860 12.621 -8.589 1.00 0.00 C ATOM 391 C ASN A 27 8.749 12.925 -7.589 1.00 0.00 C ATOM 392 O ASN A 27 8.472 14.086 -7.286 1.00 0.00 O ATOM 393 CB ASN A 27 9.963 13.753 -9.613 1.00 0.00 C ATOM 394 CG ASN A 27 11.293 13.753 -10.342 1.00 0.00 C ATOM 395 OD1 ASN A 27 12.105 14.663 -10.175 1.00 0.00 O ATOM 396 ND2 ASN A 27 11.521 12.730 -11.157 1.00 0.00 N ATOM 0 H ASN A 27 8.839 11.362 -9.920 1.00 0.00 H new ATOM 0 HA ASN A 27 10.802 12.544 -8.046 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.154 13.659 -10.338 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.828 14.710 -9.108 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.398 12.676 -11.675 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.819 11.998 -11.265 1.00 0.00 H new ATOM 403 N HIS A 28 8.116 11.874 -7.077 1.00 0.00 N ATOM 404 CA HIS A 28 7.036 12.028 -6.110 1.00 0.00 C ATOM 405 C HIS A 28 7.506 12.817 -4.891 1.00 0.00 C ATOM 406 O HIS A 28 8.632 13.314 -4.859 1.00 0.00 O ATOM 407 CB HIS A 28 6.513 10.659 -5.674 1.00 0.00 C ATOM 408 CG HIS A 28 5.061 10.661 -5.308 1.00 0.00 C ATOM 409 ND1 HIS A 28 3.990 11.200 -5.936 1.00 0.00 N flip ATOM 410 CD2 HIS A 28 4.571 10.055 -4.170 1.00 0.00 C flip ATOM 411 CE1 HIS A 28 2.884 10.913 -5.175 1.00 0.00 C flip ATOM 412 NE2 HIS A 28 3.262 10.221 -4.115 1.00 0.00 N flip ATOM 0 H HIS A 28 8.333 10.906 -7.316 1.00 0.00 H new ATOM 0 HA HIS A 28 6.229 12.581 -6.590 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.675 9.944 -6.480 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.094 10.313 -4.819 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.165 9.527 -3.438 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.870 11.205 -5.405 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.647 9.874 -3.379 1.00 0.00 H new ATOM 421 N ARG A 29 6.637 12.928 -3.892 1.00 0.00 N ATOM 422 CA ARG A 29 6.963 13.658 -2.673 1.00 0.00 C ATOM 423 C ARG A 29 7.583 12.730 -1.633 1.00 0.00 C ATOM 424 O ARG A 29 8.448 13.138 -0.858 1.00 0.00 O ATOM 425 CB ARG A 29 5.709 14.320 -2.099 1.00 0.00 C ATOM 426 CG ARG A 29 4.525 13.375 -1.973 1.00 0.00 C ATOM 427 CD ARG A 29 3.644 13.419 -3.211 1.00 0.00 C ATOM 428 NE ARG A 29 2.581 14.413 -3.092 1.00 0.00 N ATOM 429 CZ ARG A 29 1.882 14.869 -4.125 1.00 0.00 C ATOM 430 NH1 ARG A 29 2.131 14.421 -5.348 1.00 0.00 N ATOM 431 NH2 ARG A 29 0.931 15.775 -3.937 1.00 0.00 N ATOM 0 H ARG A 29 5.702 12.522 -3.903 1.00 0.00 H new ATOM 0 HA ARG A 29 7.690 14.430 -2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.942 14.730 -1.116 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.427 15.159 -2.736 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.885 12.358 -1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.936 13.643 -1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.256 13.646 -4.084 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.204 12.436 -3.378 1.00 0.00 H new ATOM 0 HE ARG A 29 2.363 14.777 -2.164 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.861 13.724 -5.497 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.593 14.773 -6.140 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.736 16.122 -2.998 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.395 16.124 -4.731 1.00 0.00 H new ATOM 445 N VAL A 30 7.135 11.478 -1.622 1.00 0.00 N ATOM 446 CA VAL A 30 7.645 10.492 -0.678 1.00 0.00 C ATOM 447 C VAL A 30 9.120 10.200 -0.931 1.00 0.00 C ATOM 448 O VAL A 30 9.822 9.686 -0.060 1.00 0.00 O ATOM 449 CB VAL A 30 6.852 9.174 -0.758 1.00 0.00 C ATOM 450 CG1 VAL A 30 5.358 9.443 -0.657 1.00 0.00 C ATOM 451 CG2 VAL A 30 7.182 8.432 -2.045 1.00 0.00 C ATOM 0 H VAL A 30 6.420 11.123 -2.257 1.00 0.00 H new ATOM 0 HA VAL A 30 7.527 10.918 0.318 1.00 0.00 H new ATOM 0 HB VAL A 30 7.141 8.544 0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.814 8.500 -0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.139 9.930 0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.049 10.092 -1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.613 7.503 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.922 9.055 -2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.248 8.206 -2.072 1.00 0.00 H new ATOM 461 N THR A 31 9.585 10.532 -2.132 1.00 0.00 N ATOM 462 CA THR A 31 10.977 10.306 -2.501 1.00 0.00 C ATOM 463 C THR A 31 11.904 11.267 -1.767 1.00 0.00 C ATOM 464 O THR A 31 13.012 10.900 -1.377 1.00 0.00 O ATOM 465 CB THR A 31 11.188 10.464 -4.019 1.00 0.00 C ATOM 466 OG1 THR A 31 10.881 11.805 -4.419 1.00 0.00 O ATOM 467 CG2 THR A 31 10.315 9.487 -4.792 1.00 0.00 C ATOM 0 H THR A 31 9.018 10.958 -2.865 1.00 0.00 H new ATOM 0 HA THR A 31 11.218 9.283 -2.213 1.00 0.00 H new ATOM 0 HB THR A 31 12.233 10.248 -4.243 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.909 11.922 -4.451 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.482 9.618 -5.861 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.571 8.466 -4.507 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.266 9.676 -4.562 1.00 0.00 H new ATOM 475 N TRP A 32 11.445 12.500 -1.583 1.00 0.00 N ATOM 476 CA TRP A 32 12.234 13.515 -0.894 1.00 0.00 C ATOM 477 C TRP A 32 12.587 13.064 0.519 1.00 0.00 C ATOM 478 O TRP A 32 11.721 12.621 1.273 1.00 0.00 O ATOM 479 CB TRP A 32 11.469 14.838 -0.845 1.00 0.00 C ATOM 480 CG TRP A 32 11.390 15.529 -2.172 1.00 0.00 C ATOM 481 CD1 TRP A 32 10.753 15.079 -3.294 1.00 0.00 C ATOM 482 CD2 TRP A 32 11.971 16.791 -2.517 1.00 0.00 C ATOM 483 NE1 TRP A 32 10.902 15.986 -4.315 1.00 0.00 N ATOM 484 CE2 TRP A 32 11.644 17.046 -3.864 1.00 0.00 C ATOM 485 CE3 TRP A 32 12.732 17.732 -1.820 1.00 0.00 C ATOM 486 CZ2 TRP A 32 12.055 18.201 -4.524 1.00 0.00 C ATOM 487 CZ3 TRP A 32 13.140 18.878 -2.476 1.00 0.00 C ATOM 488 CH2 TRP A 32 12.800 19.105 -3.817 1.00 0.00 C ATOM 0 H TRP A 32 10.531 12.821 -1.901 1.00 0.00 H new ATOM 0 HA TRP A 32 13.160 13.660 -1.450 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.459 14.652 -0.480 1.00 0.00 H new ATOM 0 HB3 TRP A 32 11.950 15.501 -0.126 1.00 0.00 H new ATOM 0 HD1 TRP A 32 10.212 14.147 -3.367 1.00 0.00 H new ATOM 0 HE1 TRP A 32 10.522 15.886 -5.256 1.00 0.00 H new ATOM 0 HE3 TRP A 32 12.997 17.567 -0.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 11.795 18.377 -5.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 13.731 19.611 -1.947 1.00 0.00 H new ATOM 0 HH2 TRP A 32 13.133 20.011 -4.301 1.00 0.00 H new ATOM 499 N ASP A 33 13.863 13.180 0.871 1.00 0.00 N ATOM 500 CA ASP A 33 14.329 12.785 2.195 1.00 0.00 C ATOM 501 C ASP A 33 13.448 13.389 3.284 1.00 0.00 C ATOM 502 O ASP A 33 13.078 12.712 4.243 1.00 0.00 O ATOM 503 CB ASP A 33 15.782 13.219 2.397 1.00 0.00 C ATOM 504 CG ASP A 33 16.672 12.823 1.236 1.00 0.00 C ATOM 505 OD1 ASP A 33 16.664 11.632 0.862 1.00 0.00 O ATOM 506 OD2 ASP A 33 17.377 13.705 0.701 1.00 0.00 O ATOM 0 H ASP A 33 14.593 13.544 0.258 1.00 0.00 H new ATOM 0 HA ASP A 33 14.269 11.699 2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.820 14.300 2.528 1.00 0.00 H new ATOM 0 HB3 ASP A 33 16.167 12.773 3.314 1.00 0.00 H new ATOM 511 N SER A 34 13.118 14.667 3.130 1.00 0.00 N ATOM 512 CA SER A 34 12.284 15.364 4.102 1.00 0.00 C ATOM 513 C SER A 34 11.022 14.563 4.409 1.00 0.00 C ATOM 514 O SER A 34 10.613 14.447 5.564 1.00 0.00 O ATOM 515 CB SER A 34 11.907 16.752 3.581 1.00 0.00 C ATOM 516 OG SER A 34 13.050 17.581 3.467 1.00 0.00 O ATOM 0 H SER A 34 13.415 15.241 2.341 1.00 0.00 H new ATOM 0 HA SER A 34 12.857 15.473 5.023 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.422 16.660 2.609 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.185 17.213 4.255 1.00 0.00 H new ATOM 0 HG SER A 34 12.783 18.462 3.131 1.00 0.00 H new ATOM 522 N ALA A 35 10.411 14.012 3.366 1.00 0.00 N ATOM 523 CA ALA A 35 9.197 13.220 3.523 1.00 0.00 C ATOM 524 C ALA A 35 9.340 12.215 4.660 1.00 0.00 C ATOM 525 O ALA A 35 10.442 11.978 5.155 1.00 0.00 O ATOM 526 CB ALA A 35 8.861 12.505 2.222 1.00 0.00 C ATOM 0 H ALA A 35 10.736 14.099 2.403 1.00 0.00 H new ATOM 0 HA ALA A 35 8.381 13.898 3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.952 11.917 2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.706 13.240 1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.683 11.845 1.947 1.00 0.00 H new ATOM 532 N GLN A 36 8.220 11.627 5.068 1.00 0.00 N ATOM 533 CA GLN A 36 8.223 10.647 6.149 1.00 0.00 C ATOM 534 C GLN A 36 7.104 9.628 5.962 1.00 0.00 C ATOM 535 O GLN A 36 6.179 9.843 5.178 1.00 0.00 O ATOM 536 CB GLN A 36 8.071 11.347 7.500 1.00 0.00 C ATOM 537 CG GLN A 36 9.186 12.335 7.803 1.00 0.00 C ATOM 538 CD GLN A 36 8.826 13.298 8.917 1.00 0.00 C ATOM 539 OE1 GLN A 36 7.670 13.698 9.058 1.00 0.00 O ATOM 540 NE2 GLN A 36 9.817 13.676 9.716 1.00 0.00 N ATOM 0 H GLN A 36 7.300 11.811 4.667 1.00 0.00 H new ATOM 0 HA GLN A 36 9.177 10.120 6.126 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.116 11.872 7.522 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.040 10.595 8.288 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.087 11.787 8.079 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.420 12.900 6.901 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.760 13.319 9.562 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.635 14.323 10.483 1.00 0.00 H new ATOM 549 N VAL A 37 7.195 8.517 6.686 1.00 0.00 N ATOM 550 CA VAL A 37 6.190 7.464 6.600 1.00 0.00 C ATOM 551 C VAL A 37 4.800 8.048 6.374 1.00 0.00 C ATOM 552 O VAL A 37 4.035 7.555 5.545 1.00 0.00 O ATOM 553 CB VAL A 37 6.171 6.602 7.876 1.00 0.00 C ATOM 554 CG1 VAL A 37 7.281 5.562 7.835 1.00 0.00 C ATOM 555 CG2 VAL A 37 6.296 7.478 9.113 1.00 0.00 C ATOM 0 H VAL A 37 7.954 8.323 7.339 1.00 0.00 H new ATOM 0 HA VAL A 37 6.460 6.837 5.750 1.00 0.00 H new ATOM 0 HB VAL A 37 5.216 6.078 7.925 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.252 4.963 8.745 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.141 4.915 6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.246 6.063 7.761 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.281 6.852 10.005 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.234 8.031 9.074 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.463 8.180 9.148 1.00 0.00 H new ATOM 565 N PHE A 38 4.480 9.103 7.116 1.00 0.00 N ATOM 566 CA PHE A 38 3.181 9.755 6.997 1.00 0.00 C ATOM 567 C PHE A 38 2.862 10.070 5.538 1.00 0.00 C ATOM 568 O PHE A 38 1.849 9.621 5.002 1.00 0.00 O ATOM 569 CB PHE A 38 3.154 11.041 7.826 1.00 0.00 C ATOM 570 CG PHE A 38 1.788 11.394 8.341 1.00 0.00 C ATOM 571 CD1 PHE A 38 0.652 11.030 7.637 1.00 0.00 C ATOM 572 CD2 PHE A 38 1.641 12.089 9.531 1.00 0.00 C ATOM 573 CE1 PHE A 38 -0.606 11.354 8.109 1.00 0.00 C ATOM 574 CE2 PHE A 38 0.385 12.416 10.008 1.00 0.00 C ATOM 575 CZ PHE A 38 -0.740 12.047 9.296 1.00 0.00 C ATOM 0 H PHE A 38 5.102 9.525 7.806 1.00 0.00 H new ATOM 0 HA PHE A 38 2.423 9.070 7.377 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.835 10.934 8.670 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.528 11.864 7.217 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.750 10.487 6.709 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.517 12.378 10.092 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.484 11.065 7.550 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.284 12.959 10.936 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.722 12.300 9.667 1.00 0.00 H new ATOM 585 N ASP A 39 3.734 10.845 4.903 1.00 0.00 N ATOM 586 CA ASP A 39 3.547 11.221 3.506 1.00 0.00 C ATOM 587 C ASP A 39 3.054 10.033 2.685 1.00 0.00 C ATOM 588 O ASP A 39 1.967 10.073 2.107 1.00 0.00 O ATOM 589 CB ASP A 39 4.854 11.755 2.920 1.00 0.00 C ATOM 590 CG ASP A 39 4.623 12.740 1.791 1.00 0.00 C ATOM 591 OD1 ASP A 39 4.199 12.303 0.700 1.00 0.00 O ATOM 592 OD2 ASP A 39 4.866 13.947 1.998 1.00 0.00 O ATOM 0 H ASP A 39 4.577 11.225 5.333 1.00 0.00 H new ATOM 0 HA ASP A 39 2.792 12.006 3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.431 12.239 3.708 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.452 10.921 2.554 1.00 0.00 H new ATOM 597 N LEU A 40 3.860 8.978 2.638 1.00 0.00 N ATOM 598 CA LEU A 40 3.507 7.779 1.887 1.00 0.00 C ATOM 599 C LEU A 40 2.257 7.123 2.465 1.00 0.00 C ATOM 600 O LEU A 40 1.552 6.389 1.773 1.00 0.00 O ATOM 601 CB LEU A 40 4.670 6.785 1.899 1.00 0.00 C ATOM 602 CG LEU A 40 4.396 5.424 1.258 1.00 0.00 C ATOM 603 CD1 LEU A 40 4.115 5.580 -0.228 1.00 0.00 C ATOM 604 CD2 LEU A 40 5.569 4.482 1.486 1.00 0.00 C ATOM 0 H LEU A 40 4.762 8.929 3.111 1.00 0.00 H new ATOM 0 HA LEU A 40 3.298 8.073 0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.517 7.241 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.972 6.623 2.934 1.00 0.00 H new ATOM 0 HG LEU A 40 3.513 4.993 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.922 4.601 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.243 6.218 -0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.978 6.033 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.357 3.518 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.469 4.908 1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.723 4.345 2.556 1.00 0.00 H new ATOM 616 N ALA A 41 1.987 7.394 3.738 1.00 0.00 N ATOM 617 CA ALA A 41 0.820 6.834 4.408 1.00 0.00 C ATOM 618 C ALA A 41 -0.439 7.625 4.070 1.00 0.00 C ATOM 619 O ALA A 41 -1.548 7.094 4.121 1.00 0.00 O ATOM 620 CB ALA A 41 1.039 6.804 5.913 1.00 0.00 C ATOM 0 H ALA A 41 2.561 7.998 4.326 1.00 0.00 H new ATOM 0 HA ALA A 41 0.682 5.813 4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.159 6.383 6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.909 6.189 6.142 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.205 7.818 6.277 1.00 0.00 H new ATOM 626 N GLN A 42 -0.260 8.896 3.725 1.00 0.00 N ATOM 627 CA GLN A 42 -1.383 9.759 3.380 1.00 0.00 C ATOM 628 C GLN A 42 -1.881 9.467 1.968 1.00 0.00 C ATOM 629 O GLN A 42 -3.066 9.208 1.757 1.00 0.00 O ATOM 630 CB GLN A 42 -0.978 11.230 3.497 1.00 0.00 C ATOM 631 CG GLN A 42 -0.491 11.618 4.884 1.00 0.00 C ATOM 632 CD GLN A 42 -0.771 13.071 5.215 1.00 0.00 C ATOM 633 OE1 GLN A 42 -1.839 13.596 4.901 1.00 0.00 O ATOM 634 NE2 GLN A 42 0.190 13.729 5.853 1.00 0.00 N ATOM 0 H GLN A 42 0.652 9.351 3.677 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.193 9.556 4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.191 11.440 2.773 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.831 11.855 3.232 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.973 10.981 5.626 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.581 11.433 4.953 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.060 13.254 6.094 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.058 14.709 6.102 1.00 0.00 H new ATOM 643 N THR A 43 -0.967 9.512 1.003 1.00 0.00 N ATOM 644 CA THR A 43 -1.313 9.254 -0.389 1.00 0.00 C ATOM 645 C THR A 43 -2.103 7.957 -0.528 1.00 0.00 C ATOM 646 O THR A 43 -2.838 7.767 -1.498 1.00 0.00 O ATOM 647 CB THR A 43 -0.056 9.174 -1.275 1.00 0.00 C ATOM 648 OG1 THR A 43 -0.418 9.311 -2.653 1.00 0.00 O ATOM 649 CG2 THR A 43 0.671 7.854 -1.065 1.00 0.00 C ATOM 0 H THR A 43 0.018 9.725 1.160 1.00 0.00 H new ATOM 0 HA THR A 43 -1.930 10.089 -0.721 1.00 0.00 H new ATOM 0 HB THR A 43 0.612 9.988 -0.993 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.387 9.261 -3.209 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.555 7.820 -1.701 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.972 7.766 -0.021 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.008 7.028 -1.322 1.00 0.00 H new ATOM 657 N LEU A 44 -1.947 7.068 0.447 1.00 0.00 N ATOM 658 CA LEU A 44 -2.647 5.788 0.434 1.00 0.00 C ATOM 659 C LEU A 44 -3.831 5.805 1.395 1.00 0.00 C ATOM 660 O LEU A 44 -4.824 5.108 1.185 1.00 0.00 O ATOM 661 CB LEU A 44 -1.688 4.657 0.806 1.00 0.00 C ATOM 662 CG LEU A 44 -0.400 4.571 -0.013 1.00 0.00 C ATOM 663 CD1 LEU A 44 0.628 3.703 0.697 1.00 0.00 C ATOM 664 CD2 LEU A 44 -0.688 4.029 -1.405 1.00 0.00 C ATOM 0 H LEU A 44 -1.342 7.210 1.256 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.025 5.618 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.420 4.766 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.220 3.710 0.710 1.00 0.00 H new ATOM 0 HG LEU A 44 0.011 5.576 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.538 3.654 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.857 4.134 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.226 2.698 0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.240 3.975 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.123 3.033 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.388 4.691 -1.915 1.00 0.00 H new ATOM 676 N ARG A 45 -3.719 6.606 2.449 1.00 0.00 N ATOM 677 CA ARG A 45 -4.780 6.715 3.443 1.00 0.00 C ATOM 678 C ARG A 45 -6.151 6.745 2.773 1.00 0.00 C ATOM 679 O ARG A 45 -7.129 6.230 3.315 1.00 0.00 O ATOM 680 CB ARG A 45 -4.587 7.973 4.292 1.00 0.00 C ATOM 681 CG ARG A 45 -5.688 8.190 5.318 1.00 0.00 C ATOM 682 CD ARG A 45 -5.902 9.668 5.601 1.00 0.00 C ATOM 683 NE ARG A 45 -7.249 9.942 6.093 1.00 0.00 N ATOM 684 CZ ARG A 45 -7.799 11.151 6.096 1.00 0.00 C ATOM 685 NH1 ARG A 45 -7.120 12.193 5.635 1.00 0.00 N ATOM 686 NH2 ARG A 45 -9.030 11.321 6.560 1.00 0.00 N ATOM 0 H ARG A 45 -2.904 7.189 2.637 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.729 5.839 4.089 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.629 7.910 4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.538 8.841 3.634 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.617 7.750 4.955 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.431 7.675 6.243 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.172 10.006 6.337 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.725 10.241 4.691 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.798 9.162 6.454 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.173 12.067 5.277 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.545 13.120 5.638 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.556 10.523 6.915 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.451 12.250 6.562 1.00 0.00 H new ATOM 700 N ASP A 46 -6.214 7.353 1.593 1.00 0.00 N ATOM 701 CA ASP A 46 -7.464 7.451 0.849 1.00 0.00 C ATOM 702 C ASP A 46 -7.967 6.068 0.447 1.00 0.00 C ATOM 703 O ASP A 46 -9.140 5.745 0.631 1.00 0.00 O ATOM 704 CB ASP A 46 -7.275 8.319 -0.395 1.00 0.00 C ATOM 705 CG ASP A 46 -5.956 8.052 -1.093 1.00 0.00 C ATOM 706 OD1 ASP A 46 -5.894 7.102 -1.902 1.00 0.00 O ATOM 707 OD2 ASP A 46 -4.986 8.793 -0.832 1.00 0.00 O ATOM 0 H ASP A 46 -5.414 7.785 1.131 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.208 7.915 1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.094 8.135 -1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.327 9.370 -0.112 1.00 0.00 H new ATOM 712 N GLY A 47 -7.070 5.254 -0.103 1.00 0.00 N ATOM 713 CA GLY A 47 -7.443 3.916 -0.524 1.00 0.00 C ATOM 714 C GLY A 47 -7.744 3.837 -2.007 1.00 0.00 C ATOM 715 O GLY A 47 -8.479 2.956 -2.452 1.00 0.00 O ATOM 0 H GLY A 47 -6.093 5.497 -0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.636 3.225 -0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.318 3.592 0.039 1.00 0.00 H new ATOM 719 N VAL A 48 -7.177 4.762 -2.775 1.00 0.00 N ATOM 720 CA VAL A 48 -7.389 4.794 -4.217 1.00 0.00 C ATOM 721 C VAL A 48 -6.180 4.240 -4.963 1.00 0.00 C ATOM 722 O VAL A 48 -6.322 3.578 -5.992 1.00 0.00 O ATOM 723 CB VAL A 48 -7.672 6.225 -4.711 1.00 0.00 C ATOM 724 CG1 VAL A 48 -7.928 6.232 -6.210 1.00 0.00 C ATOM 725 CG2 VAL A 48 -8.850 6.825 -3.958 1.00 0.00 C ATOM 0 H VAL A 48 -6.567 5.499 -2.422 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.257 4.168 -4.423 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.793 6.839 -4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.126 7.252 -6.541 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.052 5.845 -6.731 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.790 5.604 -6.435 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.036 7.836 -4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.737 6.212 -4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.623 6.857 -2.892 1.00 0.00 H new ATOM 735 N LEU A 49 -4.991 4.514 -4.437 1.00 0.00 N ATOM 736 CA LEU A 49 -3.756 4.043 -5.053 1.00 0.00 C ATOM 737 C LEU A 49 -3.512 2.572 -4.729 1.00 0.00 C ATOM 738 O LEU A 49 -3.243 1.766 -5.620 1.00 0.00 O ATOM 739 CB LEU A 49 -2.571 4.885 -4.575 1.00 0.00 C ATOM 740 CG LEU A 49 -1.229 4.599 -5.249 1.00 0.00 C ATOM 741 CD1 LEU A 49 -1.347 4.749 -6.758 1.00 0.00 C ATOM 742 CD2 LEU A 49 -0.150 5.522 -4.703 1.00 0.00 C ATOM 0 H LEU A 49 -4.856 5.060 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.856 4.147 -6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.814 5.937 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.455 4.736 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.945 3.570 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.382 4.542 -7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.089 4.046 -7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.654 5.767 -7.000 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.798 5.304 -5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.427 6.559 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.047 5.366 -3.629 1.00 0.00 H new ATOM 754 N LEU A 50 -3.611 2.229 -3.450 1.00 0.00 N ATOM 755 CA LEU A 50 -3.404 0.855 -3.008 1.00 0.00 C ATOM 756 C LEU A 50 -4.012 -0.133 -3.999 1.00 0.00 C ATOM 757 O LEU A 50 -3.315 -0.994 -4.538 1.00 0.00 O ATOM 758 CB LEU A 50 -4.018 0.646 -1.622 1.00 0.00 C ATOM 759 CG LEU A 50 -3.115 0.975 -0.432 1.00 0.00 C ATOM 760 CD1 LEU A 50 -3.884 0.842 0.873 1.00 0.00 C ATOM 761 CD2 LEU A 50 -1.890 0.073 -0.426 1.00 0.00 C ATOM 0 H LEU A 50 -3.833 2.884 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.330 0.675 -2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.918 1.256 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.331 -0.395 -1.538 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.780 2.008 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.226 1.080 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.729 1.530 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.249 -0.180 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.259 0.322 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.205 -0.968 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.327 0.218 -1.348 1.00 0.00 H new ATOM 773 N CYS A 51 -5.312 -0.002 -4.236 1.00 0.00 N ATOM 774 CA CYS A 51 -6.013 -0.882 -5.164 1.00 0.00 C ATOM 775 C CYS A 51 -5.261 -0.987 -6.486 1.00 0.00 C ATOM 776 O CYS A 51 -5.124 -2.074 -7.047 1.00 0.00 O ATOM 777 CB CYS A 51 -7.433 -0.371 -5.410 1.00 0.00 C ATOM 778 SG CYS A 51 -8.520 -0.488 -3.969 1.00 0.00 S ATOM 0 H CYS A 51 -5.902 0.705 -3.798 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.065 -1.875 -4.716 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.383 0.670 -5.730 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.874 -0.936 -6.231 1.00 0.00 H new ATOM 0 HG CYS A 51 -9.138 0.643 -3.798 1.00 0.00 H new ATOM 784 N GLN A 52 -4.778 0.149 -6.979 1.00 0.00 N ATOM 785 CA GLN A 52 -4.042 0.184 -8.237 1.00 0.00 C ATOM 786 C GLN A 52 -2.842 -0.756 -8.192 1.00 0.00 C ATOM 787 O GLN A 52 -2.644 -1.571 -9.094 1.00 0.00 O ATOM 788 CB GLN A 52 -3.578 1.609 -8.541 1.00 0.00 C ATOM 789 CG GLN A 52 -4.701 2.634 -8.513 1.00 0.00 C ATOM 790 CD GLN A 52 -4.454 3.795 -9.457 1.00 0.00 C ATOM 791 OE1 GLN A 52 -3.384 4.402 -9.446 1.00 0.00 O ATOM 792 NE2 GLN A 52 -5.448 4.109 -10.280 1.00 0.00 N ATOM 0 H GLN A 52 -4.883 1.057 -6.526 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.711 -0.149 -9.030 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.817 1.897 -7.816 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.106 1.627 -9.523 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.639 2.147 -8.779 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.816 3.014 -7.498 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.318 3.578 -10.254 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.341 4.881 -10.938 1.00 0.00 H new ATOM 801 N LEU A 53 -2.043 -0.637 -7.137 1.00 0.00 N ATOM 802 CA LEU A 53 -0.861 -1.476 -6.974 1.00 0.00 C ATOM 803 C LEU A 53 -1.112 -2.881 -7.513 1.00 0.00 C ATOM 804 O LEU A 53 -0.464 -3.319 -8.464 1.00 0.00 O ATOM 805 CB LEU A 53 -0.461 -1.547 -5.500 1.00 0.00 C ATOM 806 CG LEU A 53 0.689 -2.496 -5.161 1.00 0.00 C ATOM 807 CD1 LEU A 53 1.972 -2.043 -5.841 1.00 0.00 C ATOM 808 CD2 LEU A 53 0.884 -2.582 -3.654 1.00 0.00 C ATOM 0 H LEU A 53 -2.192 0.032 -6.382 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.047 -1.028 -7.544 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.188 -0.545 -5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.335 -1.846 -4.921 1.00 0.00 H new ATOM 0 HG LEU A 53 0.436 -3.489 -5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.780 -2.730 -5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.828 -2.034 -6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.229 -1.040 -5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.707 -3.262 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.115 -1.592 -3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.029 -2.954 -3.190 1.00 0.00 H new ATOM 820 N LEU A 54 -2.059 -3.583 -6.900 1.00 0.00 N ATOM 821 CA LEU A 54 -2.399 -4.939 -7.319 1.00 0.00 C ATOM 822 C LEU A 54 -2.802 -4.969 -8.789 1.00 0.00 C ATOM 823 O LEU A 54 -2.369 -5.839 -9.544 1.00 0.00 O ATOM 824 CB LEU A 54 -3.534 -5.492 -6.455 1.00 0.00 C ATOM 825 CG LEU A 54 -3.306 -5.454 -4.943 1.00 0.00 C ATOM 826 CD1 LEU A 54 -4.492 -6.061 -4.210 1.00 0.00 C ATOM 827 CD2 LEU A 54 -2.021 -6.182 -4.579 1.00 0.00 C ATOM 0 H LEU A 54 -2.605 -3.236 -6.111 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.516 -5.565 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.441 -4.931 -6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.717 -6.526 -6.749 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.209 -4.413 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.313 -6.026 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.394 -5.496 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.621 -7.097 -4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.875 -6.145 -3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.088 -7.221 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.178 -5.702 -5.076 1.00 0.00 H new ATOM 839 N ASN A 55 -3.634 -4.013 -9.189 1.00 0.00 N ATOM 840 CA ASN A 55 -4.095 -3.929 -10.571 1.00 0.00 C ATOM 841 C ASN A 55 -2.915 -3.830 -11.533 1.00 0.00 C ATOM 842 O ASN A 55 -3.005 -4.245 -12.687 1.00 0.00 O ATOM 843 CB ASN A 55 -5.017 -2.721 -10.750 1.00 0.00 C ATOM 844 CG ASN A 55 -6.276 -2.826 -9.912 1.00 0.00 C ATOM 845 OD1 ASN A 55 -6.653 -3.912 -9.471 1.00 0.00 O ATOM 846 ND2 ASN A 55 -6.933 -1.694 -9.687 1.00 0.00 N ATOM 0 H ASN A 55 -4.003 -3.286 -8.576 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.651 -4.839 -10.799 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.478 -1.813 -10.479 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.290 -2.628 -11.801 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.787 -1.702 -9.129 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.584 -0.816 -10.072 1.00 0.00 H new ATOM 853 N ASN A 56 -1.808 -3.276 -11.048 1.00 0.00 N ATOM 854 CA ASN A 56 -0.610 -3.122 -11.865 1.00 0.00 C ATOM 855 C ASN A 56 0.121 -4.453 -12.016 1.00 0.00 C ATOM 856 O ASN A 56 0.587 -4.798 -13.102 1.00 0.00 O ATOM 857 CB ASN A 56 0.325 -2.081 -11.244 1.00 0.00 C ATOM 858 CG ASN A 56 0.029 -0.675 -11.730 1.00 0.00 C ATOM 859 OD1 ASN A 56 0.047 -0.405 -12.930 1.00 0.00 O ATOM 860 ND2 ASN A 56 -0.244 0.227 -10.795 1.00 0.00 N ATOM 0 H ASN A 56 -1.716 -2.927 -10.094 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.916 -2.782 -12.854 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.232 -2.114 -10.159 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.358 -2.335 -11.483 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.450 1.190 -11.060 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.247 -0.043 -9.811 1.00 0.00 H new ATOM 867 N LEU A 57 0.217 -5.196 -10.919 1.00 0.00 N ATOM 868 CA LEU A 57 0.890 -6.490 -10.928 1.00 0.00 C ATOM 869 C LEU A 57 0.094 -7.512 -11.734 1.00 0.00 C ATOM 870 O LEU A 57 0.617 -8.128 -12.662 1.00 0.00 O ATOM 871 CB LEU A 57 1.089 -6.994 -9.498 1.00 0.00 C ATOM 872 CG LEU A 57 1.627 -5.973 -8.495 1.00 0.00 C ATOM 873 CD1 LEU A 57 1.619 -6.551 -7.088 1.00 0.00 C ATOM 874 CD2 LEU A 57 3.030 -5.531 -8.884 1.00 0.00 C ATOM 0 H LEU A 57 -0.163 -4.925 -10.012 1.00 0.00 H new ATOM 0 HA LEU A 57 1.864 -6.362 -11.400 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.133 -7.367 -9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.773 -7.842 -9.525 1.00 0.00 H new ATOM 0 HG LEU A 57 0.975 -5.099 -8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.005 -5.810 -6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.599 -6.816 -6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.247 -7.441 -7.057 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.397 -4.804 -8.159 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.693 -6.396 -8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.007 -5.076 -9.874 1.00 0.00 H new ATOM 886 N ARG A 58 -1.173 -7.685 -11.373 1.00 0.00 N ATOM 887 CA ARG A 58 -2.041 -8.631 -12.063 1.00 0.00 C ATOM 888 C ARG A 58 -3.225 -7.914 -12.706 1.00 0.00 C ATOM 889 O ARG A 58 -3.593 -6.813 -12.297 1.00 0.00 O ATOM 890 CB ARG A 58 -2.546 -9.697 -11.088 1.00 0.00 C ATOM 891 CG ARG A 58 -2.813 -11.043 -11.742 1.00 0.00 C ATOM 892 CD ARG A 58 -3.683 -11.927 -10.862 1.00 0.00 C ATOM 893 NE ARG A 58 -4.401 -12.935 -11.638 1.00 0.00 N ATOM 894 CZ ARG A 58 -4.926 -14.033 -11.108 1.00 0.00 C ATOM 895 NH1 ARG A 58 -4.815 -14.264 -9.807 1.00 0.00 N ATOM 896 NH2 ARG A 58 -5.565 -14.904 -11.880 1.00 0.00 N ATOM 0 H ARG A 58 -1.621 -7.182 -10.607 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.459 -9.113 -12.849 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.811 -9.828 -10.294 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.463 -9.342 -10.618 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.303 -10.891 -12.704 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.867 -11.546 -11.942 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.060 -12.420 -10.115 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.399 -11.308 -10.321 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.505 -12.787 -12.642 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.325 -13.597 -9.211 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.219 -15.109 -9.403 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.653 -14.730 -12.881 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.968 -15.747 -11.472 1.00 0.00 H new ATOM 910 N ALA A 59 -3.816 -8.546 -13.714 1.00 0.00 N ATOM 911 CA ALA A 59 -4.958 -7.969 -14.413 1.00 0.00 C ATOM 912 C ALA A 59 -6.270 -8.387 -13.758 1.00 0.00 C ATOM 913 O ALA A 59 -6.392 -9.499 -13.242 1.00 0.00 O ATOM 914 CB ALA A 59 -4.943 -8.380 -15.878 1.00 0.00 C ATOM 0 H ALA A 59 -3.523 -9.458 -14.065 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.880 -6.884 -14.351 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.801 -7.942 -16.388 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.024 -8.026 -16.346 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.993 -9.466 -15.952 1.00 0.00 H new ATOM 920 N HIS A 60 -7.250 -7.489 -13.781 1.00 0.00 N ATOM 921 CA HIS A 60 -8.554 -7.765 -13.188 1.00 0.00 C ATOM 922 C HIS A 60 -8.430 -7.999 -11.686 1.00 0.00 C ATOM 923 O HIS A 60 -9.256 -8.684 -11.084 1.00 0.00 O ATOM 924 CB HIS A 60 -9.193 -8.983 -13.855 1.00 0.00 C ATOM 925 CG HIS A 60 -9.583 -8.749 -15.282 1.00 0.00 C ATOM 926 ND1 HIS A 60 -10.571 -9.470 -15.920 1.00 0.00 N ATOM 927 CD2 HIS A 60 -9.114 -7.867 -16.195 1.00 0.00 C ATOM 928 CE1 HIS A 60 -10.691 -9.043 -17.164 1.00 0.00 C ATOM 929 NE2 HIS A 60 -9.818 -8.070 -17.357 1.00 0.00 N ATOM 0 H HIS A 60 -7.166 -6.564 -14.204 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.191 -6.895 -13.350 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.495 -9.819 -13.810 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -10.077 -9.275 -13.289 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.332 -7.139 -16.039 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.385 -9.424 -17.899 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.688 -7.554 -18.227 1.00 0.00 H new ATOM 938 N SER A 61 -7.391 -7.425 -11.086 1.00 0.00 N ATOM 939 CA SER A 61 -7.156 -7.576 -9.655 1.00 0.00 C ATOM 940 C SER A 61 -8.198 -6.805 -8.850 1.00 0.00 C ATOM 941 O SER A 61 -8.731 -7.308 -7.861 1.00 0.00 O ATOM 942 CB SER A 61 -5.752 -7.088 -9.293 1.00 0.00 C ATOM 943 OG SER A 61 -4.791 -7.574 -10.214 1.00 0.00 O ATOM 0 H SER A 61 -6.699 -6.852 -11.569 1.00 0.00 H new ATOM 0 HA SER A 61 -7.240 -8.634 -9.407 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.733 -5.998 -9.284 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.496 -7.420 -8.287 1.00 0.00 H new ATOM 0 HG SER A 61 -4.705 -6.944 -10.960 1.00 0.00 H new ATOM 949 N ILE A 62 -8.482 -5.580 -9.281 1.00 0.00 N ATOM 950 CA ILE A 62 -9.460 -4.740 -8.601 1.00 0.00 C ATOM 951 C ILE A 62 -10.162 -3.809 -9.584 1.00 0.00 C ATOM 952 O ILE A 62 -9.515 -3.072 -10.327 1.00 0.00 O ATOM 953 CB ILE A 62 -8.803 -3.896 -7.492 1.00 0.00 C ATOM 954 CG1 ILE A 62 -8.029 -4.796 -6.528 1.00 0.00 C ATOM 955 CG2 ILE A 62 -9.857 -3.092 -6.745 1.00 0.00 C ATOM 956 CD1 ILE A 62 -7.330 -4.037 -5.422 1.00 0.00 C ATOM 0 H ILE A 62 -8.049 -5.148 -10.097 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.193 -5.409 -8.151 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.101 -3.200 -7.952 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.717 -5.516 -6.085 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.289 -5.366 -7.090 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.378 -2.501 -5.965 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.369 -2.428 -7.441 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -10.580 -3.771 -6.293 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.802 -4.739 -4.777 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.617 -3.336 -5.856 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.067 -3.489 -4.835 1.00 0.00 H new ATOM 968 N ASN A 63 -11.490 -3.847 -9.581 1.00 0.00 N ATOM 969 CA ASN A 63 -12.281 -3.006 -10.472 1.00 0.00 C ATOM 970 C ASN A 63 -12.362 -1.578 -9.942 1.00 0.00 C ATOM 971 O ASN A 63 -13.046 -1.308 -8.953 1.00 0.00 O ATOM 972 CB ASN A 63 -13.690 -3.582 -10.635 1.00 0.00 C ATOM 973 CG ASN A 63 -14.456 -2.925 -11.767 1.00 0.00 C ATOM 974 OD1 ASN A 63 -13.948 -2.024 -12.434 1.00 0.00 O ATOM 975 ND2 ASN A 63 -15.685 -3.375 -11.988 1.00 0.00 N ATOM 0 H ASN A 63 -12.041 -4.451 -8.972 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.789 -2.987 -11.444 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.622 -4.654 -10.820 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.242 -3.454 -9.704 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.249 -2.972 -12.736 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.065 -4.124 -11.410 1.00 0.00 H new ATOM 982 N LEU A 64 -11.661 -0.666 -10.606 1.00 0.00 N ATOM 983 CA LEU A 64 -11.653 0.736 -10.202 1.00 0.00 C ATOM 984 C LEU A 64 -13.063 1.214 -9.866 1.00 0.00 C ATOM 985 O LEU A 64 -13.251 2.066 -8.997 1.00 0.00 O ATOM 986 CB LEU A 64 -11.060 1.604 -11.314 1.00 0.00 C ATOM 987 CG LEU A 64 -9.613 1.299 -11.703 1.00 0.00 C ATOM 988 CD1 LEU A 64 -9.220 2.078 -12.949 1.00 0.00 C ATOM 989 CD2 LEU A 64 -8.672 1.621 -10.552 1.00 0.00 C ATOM 0 H LEU A 64 -11.091 -0.872 -11.426 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.035 0.828 -9.309 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.684 1.499 -12.202 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.120 2.647 -11.004 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.533 0.235 -11.924 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.187 1.848 -13.211 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.874 1.798 -13.775 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.316 3.146 -12.756 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.647 1.398 -10.847 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.755 2.678 -10.299 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.939 1.018 -9.684 1.00 0.00 H new ATOM 1001 N LYS A 65 -14.051 0.658 -10.558 1.00 0.00 N ATOM 1002 CA LYS A 65 -15.444 1.023 -10.332 1.00 0.00 C ATOM 1003 C LYS A 65 -15.908 0.570 -8.952 1.00 0.00 C ATOM 1004 O LYS A 65 -16.659 1.274 -8.277 1.00 0.00 O ATOM 1005 CB LYS A 65 -16.337 0.405 -11.411 1.00 0.00 C ATOM 1006 CG LYS A 65 -15.930 0.780 -12.825 1.00 0.00 C ATOM 1007 CD LYS A 65 -16.292 2.220 -13.146 1.00 0.00 C ATOM 1008 CE LYS A 65 -16.345 2.460 -14.647 1.00 0.00 C ATOM 1009 NZ LYS A 65 -17.644 2.026 -15.232 1.00 0.00 N ATOM 0 H LYS A 65 -13.913 -0.048 -11.281 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.522 2.109 -10.384 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.315 -0.680 -11.311 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.367 0.720 -11.243 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.856 0.639 -12.945 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.421 0.114 -13.535 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -17.259 2.461 -12.704 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.560 2.890 -12.695 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -16.191 3.520 -14.851 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.531 1.920 -15.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -17.641 2.206 -16.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -17.780 1.009 -15.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -18.420 2.559 -14.789 1.00 0.00 H new ATOM 1023 N GLU A 66 -15.456 -0.610 -8.538 1.00 0.00 N ATOM 1024 CA GLU A 66 -15.825 -1.156 -7.237 1.00 0.00 C ATOM 1025 C GLU A 66 -15.336 -0.251 -6.109 1.00 0.00 C ATOM 1026 O GLU A 66 -15.896 -0.252 -5.012 1.00 0.00 O ATOM 1027 CB GLU A 66 -15.245 -2.561 -7.066 1.00 0.00 C ATOM 1028 CG GLU A 66 -16.127 -3.657 -7.640 1.00 0.00 C ATOM 1029 CD GLU A 66 -15.871 -5.008 -7.000 1.00 0.00 C ATOM 1030 OE1 GLU A 66 -14.702 -5.295 -6.668 1.00 0.00 O ATOM 1031 OE2 GLU A 66 -16.840 -5.777 -6.831 1.00 0.00 O ATOM 0 H GLU A 66 -14.834 -1.206 -9.085 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.913 -1.212 -7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.268 -2.603 -7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.086 -2.753 -6.005 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.174 -3.386 -7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.957 -3.730 -8.714 1.00 0.00 H new ATOM 1038 N ILE A 67 -14.289 0.518 -6.387 1.00 0.00 N ATOM 1039 CA ILE A 67 -13.725 1.427 -5.397 1.00 0.00 C ATOM 1040 C ILE A 67 -14.100 2.873 -5.702 1.00 0.00 C ATOM 1041 O ILE A 67 -14.126 3.287 -6.860 1.00 0.00 O ATOM 1042 CB ILE A 67 -12.191 1.309 -5.333 1.00 0.00 C ATOM 1043 CG1 ILE A 67 -11.588 1.451 -6.732 1.00 0.00 C ATOM 1044 CG2 ILE A 67 -11.787 -0.019 -4.709 1.00 0.00 C ATOM 1045 CD1 ILE A 67 -10.081 1.573 -6.731 1.00 0.00 C ATOM 0 H ILE A 67 -13.814 0.530 -7.290 1.00 0.00 H new ATOM 0 HA ILE A 67 -14.143 1.141 -4.432 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.805 2.114 -4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.874 0.587 -7.331 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -12.015 2.330 -7.215 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.700 -0.087 -4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.190 -0.084 -3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.181 -0.838 -5.310 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.723 1.670 -7.756 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.788 2.453 -6.159 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.644 0.683 -6.277 1.00 0.00 H new ATOM 1057 N ASN A 68 -14.389 3.637 -4.653 1.00 0.00 N ATOM 1058 CA ASN A 68 -14.761 5.039 -4.809 1.00 0.00 C ATOM 1059 C ASN A 68 -13.539 5.894 -5.128 1.00 0.00 C ATOM 1060 O ASN A 68 -12.843 6.364 -4.226 1.00 0.00 O ATOM 1061 CB ASN A 68 -15.439 5.552 -3.536 1.00 0.00 C ATOM 1062 CG ASN A 68 -16.856 5.034 -3.387 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -17.804 5.631 -3.897 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -17.007 3.917 -2.684 1.00 0.00 N ATOM 0 H ASN A 68 -14.373 3.309 -3.687 1.00 0.00 H new ATOM 0 HA ASN A 68 -15.461 5.114 -5.641 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.852 5.251 -2.668 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -15.453 6.642 -3.549 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -17.937 3.521 -2.549 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -16.193 3.455 -2.279 1.00 0.00 H new ATOM 1173 N GLN A 75 -15.399 9.246 5.649 1.00 0.00 N ATOM 1174 CA GLN A 75 -15.003 8.166 6.544 1.00 0.00 C ATOM 1175 C GLN A 75 -15.494 6.819 6.022 1.00 0.00 C ATOM 1176 O GLN A 75 -14.800 5.808 6.134 1.00 0.00 O ATOM 1177 CB GLN A 75 -15.554 8.412 7.950 1.00 0.00 C ATOM 1178 CG GLN A 75 -15.266 7.280 8.923 1.00 0.00 C ATOM 1179 CD GLN A 75 -15.795 7.559 10.316 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -16.233 8.670 10.615 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -15.757 6.549 11.177 1.00 0.00 N ATOM 0 HA GLN A 75 -13.914 8.144 6.587 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -15.127 9.335 8.342 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -16.632 8.561 7.888 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.713 6.360 8.546 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.190 7.114 8.974 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.385 5.645 10.886 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.099 6.677 12.129 1.00 0.00 H new ATOM 1190 N PHE A 76 -16.694 6.813 5.452 1.00 0.00 N ATOM 1191 CA PHE A 76 -17.278 5.590 4.914 1.00 0.00 C ATOM 1192 C PHE A 76 -16.603 5.196 3.603 1.00 0.00 C ATOM 1193 O PHE A 76 -16.084 4.087 3.468 1.00 0.00 O ATOM 1194 CB PHE A 76 -18.781 5.772 4.691 1.00 0.00 C ATOM 1195 CG PHE A 76 -19.514 6.251 5.912 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -19.566 7.600 6.221 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -20.151 5.350 6.751 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -20.239 8.043 7.344 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -20.826 5.787 7.875 1.00 0.00 C ATOM 1200 CZ PHE A 76 -20.871 7.135 8.172 1.00 0.00 C ATOM 0 H PHE A 76 -17.281 7.641 5.351 1.00 0.00 H new ATOM 0 HA PHE A 76 -17.119 4.792 5.639 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -18.936 6.484 3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -19.210 4.823 4.368 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -19.075 8.314 5.577 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -20.119 4.295 6.524 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -20.271 9.098 7.574 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -21.318 5.075 8.521 1.00 0.00 H new ATOM 0 HZ PHE A 76 -21.399 7.479 9.049 1.00 0.00 H new ATOM 1210 N LEU A 77 -16.614 6.111 2.641 1.00 0.00 N ATOM 1211 CA LEU A 77 -16.004 5.861 1.339 1.00 0.00 C ATOM 1212 C LEU A 77 -14.547 5.437 1.494 1.00 0.00 C ATOM 1213 O LEU A 77 -14.151 4.363 1.039 1.00 0.00 O ATOM 1214 CB LEU A 77 -16.092 7.112 0.463 1.00 0.00 C ATOM 1215 CG LEU A 77 -17.500 7.644 0.194 1.00 0.00 C ATOM 1216 CD1 LEU A 77 -17.437 8.967 -0.553 1.00 0.00 C ATOM 1217 CD2 LEU A 77 -18.315 6.626 -0.591 1.00 0.00 C ATOM 0 H LEU A 77 -17.039 7.033 2.737 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.551 5.050 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.510 7.904 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.618 6.895 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.992 7.813 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -18.448 9.330 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.892 9.697 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.926 8.823 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -19.314 7.022 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -17.825 6.425 -1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -18.390 5.701 -0.019 1.00 0.00 H new ATOM 1229 N CYS A 78 -13.755 6.285 2.140 1.00 0.00 N ATOM 1230 CA CYS A 78 -12.341 5.997 2.357 1.00 0.00 C ATOM 1231 C CYS A 78 -12.151 4.587 2.905 1.00 0.00 C ATOM 1232 O CYS A 78 -11.479 3.756 2.293 1.00 0.00 O ATOM 1233 CB CYS A 78 -11.733 7.018 3.319 1.00 0.00 C ATOM 1234 SG CYS A 78 -9.927 7.095 3.270 1.00 0.00 S ATOM 0 H CYS A 78 -14.067 7.177 2.523 1.00 0.00 H new ATOM 0 HA CYS A 78 -11.830 6.065 1.397 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -12.134 8.004 3.086 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -12.048 6.777 4.334 1.00 0.00 H new ATOM 0 HG CYS A 78 -9.489 6.378 2.278 1.00 0.00 H new ATOM 1240 N LEU A 79 -12.746 4.323 4.063 1.00 0.00 N ATOM 1241 CA LEU A 79 -12.642 3.013 4.697 1.00 0.00 C ATOM 1242 C LEU A 79 -13.008 1.903 3.716 1.00 0.00 C ATOM 1243 O LEU A 79 -12.232 0.974 3.495 1.00 0.00 O ATOM 1244 CB LEU A 79 -13.550 2.944 5.925 1.00 0.00 C ATOM 1245 CG LEU A 79 -13.091 3.744 7.145 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -14.201 3.821 8.182 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -11.839 3.124 7.748 1.00 0.00 C ATOM 0 H LEU A 79 -13.306 4.999 4.582 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.608 2.870 5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.542 3.293 5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -13.652 1.899 6.218 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.852 4.757 6.822 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -13.856 4.394 9.043 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.072 4.310 7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.471 2.814 8.501 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.526 3.706 8.615 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.052 2.100 8.056 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.041 3.121 7.006 1.00 0.00 H new ATOM 1259 N LYS A 80 -14.196 2.008 3.129 1.00 0.00 N ATOM 1260 CA LYS A 80 -14.665 1.016 2.169 1.00 0.00 C ATOM 1261 C LYS A 80 -13.591 0.715 1.129 1.00 0.00 C ATOM 1262 O LYS A 80 -13.242 -0.442 0.902 1.00 0.00 O ATOM 1263 CB LYS A 80 -15.937 1.510 1.476 1.00 0.00 C ATOM 1264 CG LYS A 80 -16.832 0.388 0.977 1.00 0.00 C ATOM 1265 CD LYS A 80 -16.374 -0.130 -0.376 1.00 0.00 C ATOM 1266 CE LYS A 80 -16.990 0.666 -1.515 1.00 0.00 C ATOM 1267 NZ LYS A 80 -18.355 0.179 -1.858 1.00 0.00 N ATOM 0 H LYS A 80 -14.851 2.770 3.302 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.887 0.097 2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.501 2.132 2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.659 2.144 0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.831 -0.428 1.699 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.859 0.746 0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.287 -0.075 -0.439 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.647 -1.181 -0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.039 1.719 -1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.349 0.598 -2.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.740 0.748 -2.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.305 -0.819 -2.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.974 0.267 -1.027 1.00 0.00 H new ATOM 1281 N ASN A 81 -13.071 1.764 0.501 1.00 0.00 N ATOM 1282 CA ASN A 81 -12.035 1.611 -0.514 1.00 0.00 C ATOM 1283 C ASN A 81 -10.925 0.687 -0.024 1.00 0.00 C ATOM 1284 O ASN A 81 -10.631 -0.332 -0.651 1.00 0.00 O ATOM 1285 CB ASN A 81 -11.451 2.976 -0.886 1.00 0.00 C ATOM 1286 CG ASN A 81 -12.455 3.860 -1.601 1.00 0.00 C ATOM 1287 OD1 ASN A 81 -13.612 3.481 -1.783 1.00 0.00 O ATOM 1288 ND2 ASN A 81 -12.015 5.044 -2.009 1.00 0.00 N ATOM 0 H ASN A 81 -13.350 2.729 0.677 1.00 0.00 H new ATOM 0 HA ASN A 81 -12.491 1.165 -1.398 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.107 3.479 0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.578 2.833 -1.523 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.645 5.682 -2.496 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.047 5.316 -1.836 1.00 0.00 H new ATOM 1295 N ILE A 82 -10.314 1.048 1.098 1.00 0.00 N ATOM 1296 CA ILE A 82 -9.238 0.250 1.673 1.00 0.00 C ATOM 1297 C ILE A 82 -9.609 -1.228 1.709 1.00 0.00 C ATOM 1298 O ILE A 82 -8.915 -2.067 1.135 1.00 0.00 O ATOM 1299 CB ILE A 82 -8.891 0.716 3.100 1.00 0.00 C ATOM 1300 CG1 ILE A 82 -8.393 2.162 3.080 1.00 0.00 C ATOM 1301 CG2 ILE A 82 -7.847 -0.202 3.718 1.00 0.00 C ATOM 1302 CD1 ILE A 82 -8.547 2.872 4.407 1.00 0.00 C ATOM 0 H ILE A 82 -10.545 1.888 1.628 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.367 0.388 1.033 1.00 0.00 H new ATOM 0 HB ILE A 82 -9.793 0.671 3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.342 2.172 2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.939 2.715 2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.612 0.140 4.726 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -8.237 -1.219 3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.943 -0.186 3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.174 3.892 4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -9.600 2.894 4.688 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.978 2.342 5.171 1.00 0.00 H new ATOM 1314 N ARG A 83 -10.709 -1.540 2.387 1.00 0.00 N ATOM 1315 CA ARG A 83 -11.174 -2.918 2.497 1.00 0.00 C ATOM 1316 C ARG A 83 -11.056 -3.640 1.158 1.00 0.00 C ATOM 1317 O ARG A 83 -10.430 -4.697 1.063 1.00 0.00 O ATOM 1318 CB ARG A 83 -12.625 -2.952 2.981 1.00 0.00 C ATOM 1319 CG ARG A 83 -12.865 -2.138 4.242 1.00 0.00 C ATOM 1320 CD ARG A 83 -13.977 -2.739 5.088 1.00 0.00 C ATOM 1321 NE ARG A 83 -13.706 -4.130 5.440 1.00 0.00 N ATOM 1322 CZ ARG A 83 -12.903 -4.495 6.433 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -12.295 -3.575 7.169 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -12.707 -5.781 6.691 1.00 0.00 N ATOM 0 H ARG A 83 -11.295 -0.857 2.868 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.544 -3.431 3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.273 -2.578 2.188 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.913 -3.987 3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.946 -2.091 4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.124 -1.114 3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.098 -2.152 5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.919 -2.680 4.543 1.00 0.00 H new ATOM 0 HE ARG A 83 -14.159 -4.862 4.893 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.444 -2.585 6.973 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.679 -3.857 7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.173 -6.491 6.127 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.090 -6.060 7.454 1.00 0.00 H new ATOM 1338 N THR A 84 -11.661 -3.064 0.125 1.00 0.00 N ATOM 1339 CA THR A 84 -11.625 -3.653 -1.208 1.00 0.00 C ATOM 1340 C THR A 84 -10.248 -4.228 -1.518 1.00 0.00 C ATOM 1341 O THR A 84 -10.127 -5.367 -1.970 1.00 0.00 O ATOM 1342 CB THR A 84 -11.993 -2.619 -2.289 1.00 0.00 C ATOM 1343 OG1 THR A 84 -13.281 -2.059 -2.013 1.00 0.00 O ATOM 1344 CG2 THR A 84 -11.997 -3.258 -3.670 1.00 0.00 C ATOM 0 H THR A 84 -12.182 -2.189 0.185 1.00 0.00 H new ATOM 0 HA THR A 84 -12.362 -4.456 -1.219 1.00 0.00 H new ATOM 0 HB THR A 84 -11.243 -1.828 -2.274 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.577 -1.525 -2.780 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.260 -2.509 -4.417 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.007 -3.657 -3.889 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.728 -4.066 -3.695 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.211 -3.434 -1.273 1.00 0.00 N ATOM 1353 CA PHE A 85 -7.841 -3.864 -1.527 1.00 0.00 C ATOM 1354 C PHE A 85 -7.511 -5.123 -0.730 1.00 0.00 C ATOM 1355 O PHE A 85 -7.151 -6.155 -1.298 1.00 0.00 O ATOM 1356 CB PHE A 85 -6.859 -2.748 -1.169 1.00 0.00 C ATOM 1357 CG PHE A 85 -5.474 -3.243 -0.861 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -4.588 -3.540 -1.884 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -5.060 -3.411 0.450 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -3.314 -3.997 -1.603 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -3.787 -3.867 0.736 1.00 0.00 C ATOM 1362 CZ PHE A 85 -2.912 -4.159 -0.292 1.00 0.00 C ATOM 0 H PHE A 85 -9.293 -2.489 -0.899 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.749 -4.092 -2.589 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.808 -2.041 -1.997 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.241 -2.202 -0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.896 -3.413 -2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.740 -3.183 1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.633 -4.227 -2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.477 -3.995 1.763 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.916 -4.513 -0.071 1.00 0.00 H new ATOM 1372 N LEU A 86 -7.634 -5.030 0.589 1.00 0.00 N ATOM 1373 CA LEU A 86 -7.348 -6.160 1.466 1.00 0.00 C ATOM 1374 C LEU A 86 -8.080 -7.413 0.996 1.00 0.00 C ATOM 1375 O LEU A 86 -7.618 -8.534 1.212 1.00 0.00 O ATOM 1376 CB LEU A 86 -7.751 -5.830 2.904 1.00 0.00 C ATOM 1377 CG LEU A 86 -7.180 -4.535 3.481 1.00 0.00 C ATOM 1378 CD1 LEU A 86 -7.997 -4.078 4.680 1.00 0.00 C ATOM 1379 CD2 LEU A 86 -5.720 -4.722 3.869 1.00 0.00 C ATOM 0 H LEU A 86 -7.930 -4.184 1.075 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.276 -6.353 1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.839 -5.777 2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.443 -6.656 3.545 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.236 -3.763 2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.575 -3.155 5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.028 -3.903 4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.974 -4.848 5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.330 -3.790 4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.641 -5.509 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.142 -5.002 2.988 1.00 0.00 H new ATOM 1391 N THR A 87 -9.224 -7.216 0.348 1.00 0.00 N ATOM 1392 CA THR A 87 -10.019 -8.329 -0.154 1.00 0.00 C ATOM 1393 C THR A 87 -9.337 -9.002 -1.340 1.00 0.00 C ATOM 1394 O THR A 87 -9.240 -10.227 -1.399 1.00 0.00 O ATOM 1395 CB THR A 87 -11.426 -7.868 -0.580 1.00 0.00 C ATOM 1396 OG1 THR A 87 -12.016 -7.075 0.456 1.00 0.00 O ATOM 1397 CG2 THR A 87 -12.319 -9.062 -0.884 1.00 0.00 C ATOM 0 H THR A 87 -9.620 -6.295 0.159 1.00 0.00 H new ATOM 0 HA THR A 87 -10.111 -9.045 0.663 1.00 0.00 H new ATOM 0 HB THR A 87 -11.329 -7.268 -1.485 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.546 -6.218 0.520 1.00 0.00 H new ATOM 0 HG21 THR A 87 -13.307 -8.711 -1.182 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.882 -9.647 -1.693 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.409 -9.685 0.006 1.00 0.00 H new ATOM 1405 N ALA A 88 -8.864 -8.192 -2.282 1.00 0.00 N ATOM 1406 CA ALA A 88 -8.188 -8.709 -3.465 1.00 0.00 C ATOM 1407 C ALA A 88 -6.956 -9.523 -3.081 1.00 0.00 C ATOM 1408 O ALA A 88 -6.602 -10.488 -3.760 1.00 0.00 O ATOM 1409 CB ALA A 88 -7.800 -7.568 -4.392 1.00 0.00 C ATOM 0 H ALA A 88 -8.937 -7.175 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.879 -9.369 -3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.296 -7.969 -5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.696 -7.030 -4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.130 -6.886 -3.869 1.00 0.00 H new ATOM 1415 N CYS A 89 -6.308 -9.129 -1.991 1.00 0.00 N ATOM 1416 CA CYS A 89 -5.115 -9.821 -1.518 1.00 0.00 C ATOM 1417 C CYS A 89 -5.373 -11.318 -1.381 1.00 0.00 C ATOM 1418 O CYS A 89 -4.447 -12.127 -1.451 1.00 0.00 O ATOM 1419 CB CYS A 89 -4.664 -9.245 -0.175 1.00 0.00 C ATOM 1420 SG CYS A 89 -4.003 -7.565 -0.278 1.00 0.00 S ATOM 0 H CYS A 89 -6.589 -8.333 -1.418 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.324 -9.672 -2.253 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.510 -9.250 0.513 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -3.903 -9.898 0.251 1.00 0.00 H new ATOM 0 HG CYS A 89 -4.940 -6.753 -0.669 1.00 0.00 H new ATOM 1426 N CYS A 90 -6.636 -11.680 -1.185 1.00 0.00 N ATOM 1427 CA CYS A 90 -7.017 -13.080 -1.036 1.00 0.00 C ATOM 1428 C CYS A 90 -7.823 -13.556 -2.240 1.00 0.00 C ATOM 1429 O CYS A 90 -7.762 -14.726 -2.617 1.00 0.00 O ATOM 1430 CB CYS A 90 -7.828 -13.276 0.246 1.00 0.00 C ATOM 1431 SG CYS A 90 -8.215 -15.003 0.617 1.00 0.00 S ATOM 0 H CYS A 90 -7.414 -11.023 -1.126 1.00 0.00 H new ATOM 0 HA CYS A 90 -6.105 -13.674 -0.975 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -7.273 -12.851 1.083 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -8.759 -12.716 0.163 1.00 0.00 H new ATOM 0 HG CYS A 90 -8.239 -15.689 -0.487 1.00 0.00 H new ATOM 1437 N GLU A 91 -8.579 -12.640 -2.839 1.00 0.00 N ATOM 1438 CA GLU A 91 -9.399 -12.968 -3.999 1.00 0.00 C ATOM 1439 C GLU A 91 -8.552 -13.023 -5.267 1.00 0.00 C ATOM 1440 O GLU A 91 -8.572 -14.012 -5.999 1.00 0.00 O ATOM 1441 CB GLU A 91 -10.520 -11.940 -4.165 1.00 0.00 C ATOM 1442 CG GLU A 91 -11.387 -11.779 -2.928 1.00 0.00 C ATOM 1443 CD GLU A 91 -12.546 -12.757 -2.896 1.00 0.00 C ATOM 1444 OE1 GLU A 91 -12.325 -13.925 -2.514 1.00 0.00 O ATOM 1445 OE2 GLU A 91 -13.673 -12.355 -3.253 1.00 0.00 O ATOM 0 H GLU A 91 -8.640 -11.667 -2.540 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.839 -13.952 -3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.082 -10.975 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -11.150 -12.235 -5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.773 -11.919 -2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.775 -10.761 -2.891 1.00 0.00 H new ATOM 1452 N THR A 92 -7.807 -11.951 -5.520 1.00 0.00 N ATOM 1453 CA THR A 92 -6.954 -11.875 -6.699 1.00 0.00 C ATOM 1454 C THR A 92 -5.707 -12.736 -6.532 1.00 0.00 C ATOM 1455 O THR A 92 -5.406 -13.580 -7.376 1.00 0.00 O ATOM 1456 CB THR A 92 -6.526 -10.424 -6.990 1.00 0.00 C ATOM 1457 OG1 THR A 92 -7.679 -9.617 -7.257 1.00 0.00 O ATOM 1458 CG2 THR A 92 -5.576 -10.367 -8.176 1.00 0.00 C ATOM 0 H THR A 92 -7.777 -11.124 -4.924 1.00 0.00 H new ATOM 0 HA THR A 92 -7.541 -12.249 -7.538 1.00 0.00 H new ATOM 0 HB THR A 92 -6.008 -10.039 -6.112 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.427 -8.670 -7.241 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.288 -9.332 -8.362 1.00 0.00 H new ATOM 0 HG22 THR A 92 -4.686 -10.958 -7.958 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.072 -10.770 -9.059 1.00 0.00 H new ATOM 1466 N PHE A 93 -4.985 -12.518 -5.438 1.00 0.00 N ATOM 1467 CA PHE A 93 -3.769 -13.275 -5.161 1.00 0.00 C ATOM 1468 C PHE A 93 -4.089 -14.555 -4.396 1.00 0.00 C ATOM 1469 O PHE A 93 -3.990 -15.656 -4.936 1.00 0.00 O ATOM 1470 CB PHE A 93 -2.783 -12.421 -4.361 1.00 0.00 C ATOM 1471 CG PHE A 93 -2.197 -11.285 -5.148 1.00 0.00 C ATOM 1472 CD1 PHE A 93 -3.011 -10.288 -5.662 1.00 0.00 C ATOM 1473 CD2 PHE A 93 -0.832 -11.214 -5.376 1.00 0.00 C ATOM 1474 CE1 PHE A 93 -2.474 -9.241 -6.387 1.00 0.00 C ATOM 1475 CE2 PHE A 93 -0.290 -10.169 -6.100 1.00 0.00 C ATOM 1476 CZ PHE A 93 -1.112 -9.182 -6.607 1.00 0.00 C ATOM 0 H PHE A 93 -5.220 -11.824 -4.729 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.314 -13.546 -6.113 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.291 -12.021 -3.484 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.975 -13.057 -3.999 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.077 -10.330 -5.494 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.184 -11.984 -4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.119 -8.470 -6.781 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.776 -10.124 -6.269 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.690 -8.365 -7.174 1.00 0.00 H new ATOM 1486 N GLY A 94 -4.473 -14.402 -3.132 1.00 0.00 N ATOM 1487 CA GLY A 94 -4.801 -15.554 -2.312 1.00 0.00 C ATOM 1488 C GLY A 94 -3.834 -15.739 -1.160 1.00 0.00 C ATOM 1489 O GLY A 94 -3.390 -16.854 -0.886 1.00 0.00 O ATOM 0 H GLY A 94 -4.563 -13.501 -2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.812 -15.441 -1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.798 -16.450 -2.932 1.00 0.00 H new ATOM 1493 N MET A 95 -3.504 -14.644 -0.483 1.00 0.00 N ATOM 1494 CA MET A 95 -2.582 -14.691 0.645 1.00 0.00 C ATOM 1495 C MET A 95 -3.342 -14.763 1.966 1.00 0.00 C ATOM 1496 O MET A 95 -4.570 -14.673 1.992 1.00 0.00 O ATOM 1497 CB MET A 95 -1.667 -13.465 0.636 1.00 0.00 C ATOM 1498 CG MET A 95 -2.325 -12.211 1.189 1.00 0.00 C ATOM 1499 SD MET A 95 -1.357 -10.723 0.876 1.00 0.00 S ATOM 1500 CE MET A 95 -0.046 -10.911 2.081 1.00 0.00 C ATOM 0 H MET A 95 -3.862 -13.713 -0.696 1.00 0.00 H new ATOM 0 HA MET A 95 -1.973 -15.590 0.547 1.00 0.00 H new ATOM 0 HB2 MET A 95 -0.774 -13.684 1.221 1.00 0.00 H new ATOM 0 HB3 MET A 95 -1.340 -13.273 -0.386 1.00 0.00 H new ATOM 0 HG2 MET A 95 -3.313 -12.097 0.743 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.471 -12.326 2.263 1.00 0.00 H new ATOM 0 HE1 MET A 95 0.215 -9.935 2.490 1.00 0.00 H new ATOM 0 HE2 MET A 95 -0.383 -11.564 2.886 1.00 0.00 H new ATOM 0 HE3 MET A 95 0.829 -11.349 1.601 1.00 0.00 H new ATOM 1510 N ARG A 96 -2.605 -14.925 3.060 1.00 0.00 N ATOM 1511 CA ARG A 96 -3.211 -15.010 4.383 1.00 0.00 C ATOM 1512 C ARG A 96 -3.962 -13.725 4.721 1.00 0.00 C ATOM 1513 O ARG A 96 -3.895 -12.741 3.984 1.00 0.00 O ATOM 1514 CB ARG A 96 -2.139 -15.280 5.441 1.00 0.00 C ATOM 1515 CG ARG A 96 -1.808 -16.754 5.610 1.00 0.00 C ATOM 1516 CD ARG A 96 -0.723 -16.965 6.654 1.00 0.00 C ATOM 1517 NE ARG A 96 0.612 -16.719 6.113 1.00 0.00 N ATOM 1518 CZ ARG A 96 1.261 -17.580 5.337 1.00 0.00 C ATOM 1519 NH1 ARG A 96 0.701 -18.737 5.012 1.00 0.00 N ATOM 1520 NH2 ARG A 96 2.472 -17.284 4.884 1.00 0.00 N ATOM 0 H ARG A 96 -1.588 -15.000 3.056 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.923 -15.835 4.377 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -1.231 -14.741 5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.475 -14.880 6.397 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -2.706 -17.299 5.902 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -1.481 -17.166 4.655 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -0.900 -16.301 7.500 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.778 -17.985 7.033 1.00 0.00 H new ATOM 0 HE ARG A 96 1.071 -15.838 6.344 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.230 -18.968 5.358 1.00 0.00 H new ATOM 0 HH12 ARG A 96 1.202 -19.396 4.416 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.906 -16.395 5.131 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.969 -17.946 4.288 1.00 0.00 H new ATOM 1534 N LYS A 97 -4.677 -13.741 5.841 1.00 0.00 N ATOM 1535 CA LYS A 97 -5.441 -12.578 6.278 1.00 0.00 C ATOM 1536 C LYS A 97 -4.723 -11.851 7.411 1.00 0.00 C ATOM 1537 O LYS A 97 -4.781 -10.625 7.508 1.00 0.00 O ATOM 1538 CB LYS A 97 -6.838 -13.003 6.735 1.00 0.00 C ATOM 1539 CG LYS A 97 -7.747 -11.835 7.076 1.00 0.00 C ATOM 1540 CD LYS A 97 -8.532 -11.366 5.862 1.00 0.00 C ATOM 1541 CE LYS A 97 -9.860 -12.097 5.741 1.00 0.00 C ATOM 1542 NZ LYS A 97 -10.828 -11.352 4.890 1.00 0.00 N ATOM 0 H LYS A 97 -4.743 -14.547 6.463 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.534 -11.896 5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.303 -13.597 5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.745 -13.648 7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.438 -12.129 7.866 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.150 -11.010 7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.711 -10.293 5.935 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.942 -11.530 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.692 -13.087 5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.286 -12.242 6.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.720 -11.883 4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.008 -10.416 5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.433 -11.235 3.935 1.00 0.00 H new ATOM 1556 N SER A 98 -4.047 -12.614 8.263 1.00 0.00 N ATOM 1557 CA SER A 98 -3.320 -12.042 9.390 1.00 0.00 C ATOM 1558 C SER A 98 -2.263 -11.052 8.909 1.00 0.00 C ATOM 1559 O SER A 98 -1.935 -10.091 9.604 1.00 0.00 O ATOM 1560 CB SER A 98 -2.661 -13.149 10.214 1.00 0.00 C ATOM 1561 OG SER A 98 -3.626 -13.881 10.950 1.00 0.00 O ATOM 0 H SER A 98 -3.987 -13.630 8.195 1.00 0.00 H new ATOM 0 HA SER A 98 -4.034 -11.508 10.017 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.115 -13.823 9.553 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.932 -12.713 10.897 1.00 0.00 H new ATOM 0 HG SER A 98 -3.179 -14.584 11.467 1.00 0.00 H new ATOM 1567 N GLU A 99 -1.733 -11.296 7.714 1.00 0.00 N ATOM 1568 CA GLU A 99 -0.713 -10.428 7.140 1.00 0.00 C ATOM 1569 C GLU A 99 -1.282 -9.044 6.840 1.00 0.00 C ATOM 1570 O GLU A 99 -0.669 -8.025 7.160 1.00 0.00 O ATOM 1571 CB GLU A 99 -0.145 -11.046 5.861 1.00 0.00 C ATOM 1572 CG GLU A 99 0.643 -12.323 6.100 1.00 0.00 C ATOM 1573 CD GLU A 99 0.156 -13.091 7.313 1.00 0.00 C ATOM 1574 OE1 GLU A 99 0.390 -12.621 8.446 1.00 0.00 O ATOM 1575 OE2 GLU A 99 -0.459 -14.162 7.129 1.00 0.00 O ATOM 0 H GLU A 99 -1.994 -12.087 7.126 1.00 0.00 H new ATOM 0 HA GLU A 99 0.089 -10.322 7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.965 -11.258 5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.500 -10.317 5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.571 -12.960 5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 99 1.697 -12.076 6.230 1.00 0.00 H new ATOM 1582 N LEU A 100 -2.458 -9.016 6.222 1.00 0.00 N ATOM 1583 CA LEU A 100 -3.111 -7.758 5.878 1.00 0.00 C ATOM 1584 C LEU A 100 -3.071 -6.784 7.051 1.00 0.00 C ATOM 1585 O LEU A 100 -2.935 -7.191 8.205 1.00 0.00 O ATOM 1586 CB LEU A 100 -4.561 -8.011 5.460 1.00 0.00 C ATOM 1587 CG LEU A 100 -4.783 -9.150 4.463 1.00 0.00 C ATOM 1588 CD1 LEU A 100 -6.244 -9.217 4.047 1.00 0.00 C ATOM 1589 CD2 LEU A 100 -3.888 -8.975 3.246 1.00 0.00 C ATOM 0 H LEU A 100 -2.978 -9.850 5.949 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.570 -7.314 5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.145 -8.220 6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.959 -7.093 5.027 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.521 -10.090 4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.383 -10.033 3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.865 -9.390 4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.533 -8.276 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.059 -9.794 2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.118 -8.028 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.844 -8.977 3.559 1.00 0.00 H new ATOM 1601 N PHE A 101 -3.191 -5.496 6.748 1.00 0.00 N ATOM 1602 CA PHE A 101 -3.170 -4.463 7.777 1.00 0.00 C ATOM 1603 C PHE A 101 -4.579 -3.952 8.064 1.00 0.00 C ATOM 1604 O PHE A 101 -5.447 -3.972 7.192 1.00 0.00 O ATOM 1605 CB PHE A 101 -2.272 -3.302 7.346 1.00 0.00 C ATOM 1606 CG PHE A 101 -2.702 -2.657 6.059 1.00 0.00 C ATOM 1607 CD1 PHE A 101 -3.688 -1.685 6.051 1.00 0.00 C ATOM 1608 CD2 PHE A 101 -2.120 -3.025 4.857 1.00 0.00 C ATOM 1609 CE1 PHE A 101 -4.086 -1.090 4.869 1.00 0.00 C ATOM 1610 CE2 PHE A 101 -2.513 -2.433 3.671 1.00 0.00 C ATOM 1611 CZ PHE A 101 -3.498 -1.465 3.677 1.00 0.00 C ATOM 0 H PHE A 101 -3.304 -5.142 5.798 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.769 -4.903 8.690 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.261 -2.549 8.134 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.250 -3.665 7.238 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -4.152 -1.388 6.980 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -1.351 -3.783 4.846 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -4.856 -0.333 4.877 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -2.050 -2.727 2.741 1.00 0.00 H new ATOM 0 HZ PHE A 101 -3.808 -1.002 2.752 1.00 0.00 H new ATOM 1621 N GLU A 102 -4.797 -3.494 9.293 1.00 0.00 N ATOM 1622 CA GLU A 102 -6.100 -2.979 9.696 1.00 0.00 C ATOM 1623 C GLU A 102 -6.451 -1.716 8.915 1.00 0.00 C ATOM 1624 O GLU A 102 -5.682 -0.756 8.890 1.00 0.00 O ATOM 1625 CB GLU A 102 -6.116 -2.685 11.197 1.00 0.00 C ATOM 1626 CG GLU A 102 -6.166 -3.933 12.062 1.00 0.00 C ATOM 1627 CD GLU A 102 -7.515 -4.624 12.011 1.00 0.00 C ATOM 1628 OE1 GLU A 102 -7.891 -5.114 10.926 1.00 0.00 O ATOM 1629 OE2 GLU A 102 -8.195 -4.675 13.058 1.00 0.00 O ATOM 0 H GLU A 102 -4.088 -3.469 10.026 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.847 -3.741 9.475 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.227 -2.110 11.455 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.978 -2.059 11.427 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.393 -4.628 11.735 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.938 -3.665 13.094 1.00 0.00 H new ATOM 1636 N ALA A 103 -7.617 -1.726 8.278 1.00 0.00 N ATOM 1637 CA ALA A 103 -8.071 -0.582 7.497 1.00 0.00 C ATOM 1638 C ALA A 103 -7.958 0.710 8.300 1.00 0.00 C ATOM 1639 O ALA A 103 -7.435 1.712 7.812 1.00 0.00 O ATOM 1640 CB ALA A 103 -9.505 -0.794 7.034 1.00 0.00 C ATOM 0 H ALA A 103 -8.265 -2.514 8.287 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.428 -0.493 6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.831 0.068 6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.559 -1.690 6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.154 -0.912 7.902 1.00 0.00 H new ATOM 1646 N PHE A 104 -8.452 0.680 9.533 1.00 0.00 N ATOM 1647 CA PHE A 104 -8.407 1.849 10.403 1.00 0.00 C ATOM 1648 C PHE A 104 -6.976 2.352 10.566 1.00 0.00 C ATOM 1649 O PHE A 104 -6.688 3.526 10.332 1.00 0.00 O ATOM 1650 CB PHE A 104 -9.001 1.515 11.773 1.00 0.00 C ATOM 1651 CG PHE A 104 -9.381 2.728 12.574 1.00 0.00 C ATOM 1652 CD1 PHE A 104 -10.540 3.429 12.286 1.00 0.00 C ATOM 1653 CD2 PHE A 104 -8.577 3.167 13.614 1.00 0.00 C ATOM 1654 CE1 PHE A 104 -10.893 4.545 13.022 1.00 0.00 C ATOM 1655 CE2 PHE A 104 -8.925 4.282 14.353 1.00 0.00 C ATOM 1656 CZ PHE A 104 -10.083 4.973 14.056 1.00 0.00 C ATOM 0 H PHE A 104 -8.888 -0.141 9.952 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.000 2.638 9.940 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -9.883 0.890 11.635 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.279 0.927 12.340 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -11.176 3.100 11.477 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.669 2.632 13.850 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.801 5.081 12.789 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.291 4.613 15.163 1.00 0.00 H new ATOM 0 HZ PHE A 104 -10.355 5.846 14.631 1.00 0.00 H new ATOM 1666 N ASP A 105 -6.082 1.455 10.969 1.00 0.00 N ATOM 1667 CA ASP A 105 -4.680 1.806 11.163 1.00 0.00 C ATOM 1668 C ASP A 105 -4.183 2.702 10.034 1.00 0.00 C ATOM 1669 O ASP A 105 -3.328 3.565 10.241 1.00 0.00 O ATOM 1670 CB ASP A 105 -3.823 0.542 11.244 1.00 0.00 C ATOM 1671 CG ASP A 105 -3.681 0.028 12.663 1.00 0.00 C ATOM 1672 OD1 ASP A 105 -2.756 0.481 13.369 1.00 0.00 O ATOM 1673 OD2 ASP A 105 -4.496 -0.827 13.068 1.00 0.00 O ATOM 0 H ASP A 105 -6.304 0.479 11.168 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.594 2.354 12.101 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.267 -0.235 10.622 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.834 0.750 10.836 1.00 0.00 H new ATOM 1678 N LEU A 106 -4.722 2.492 8.838 1.00 0.00 N ATOM 1679 CA LEU A 106 -4.333 3.281 7.674 1.00 0.00 C ATOM 1680 C LEU A 106 -5.118 4.587 7.613 1.00 0.00 C ATOM 1681 O LEU A 106 -4.543 5.662 7.447 1.00 0.00 O ATOM 1682 CB LEU A 106 -4.557 2.477 6.391 1.00 0.00 C ATOM 1683 CG LEU A 106 -4.001 3.094 5.107 1.00 0.00 C ATOM 1684 CD1 LEU A 106 -2.500 2.870 5.013 1.00 0.00 C ATOM 1685 CD2 LEU A 106 -4.706 2.516 3.889 1.00 0.00 C ATOM 0 H LEU A 106 -5.430 1.782 8.649 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.274 3.520 7.766 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.109 1.492 6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.629 2.326 6.263 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.186 4.168 5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.122 3.316 4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.009 3.333 5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.291 1.800 5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.298 2.966 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.553 1.437 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.773 2.730 3.951 1.00 0.00 H new ATOM 1697 N PHE A 107 -6.436 4.485 7.751 1.00 0.00 N ATOM 1698 CA PHE A 107 -7.301 5.659 7.713 1.00 0.00 C ATOM 1699 C PHE A 107 -6.799 6.736 8.669 1.00 0.00 C ATOM 1700 O PHE A 107 -6.491 7.854 8.256 1.00 0.00 O ATOM 1701 CB PHE A 107 -8.737 5.272 8.072 1.00 0.00 C ATOM 1702 CG PHE A 107 -9.724 6.388 7.883 1.00 0.00 C ATOM 1703 CD1 PHE A 107 -9.672 7.193 6.756 1.00 0.00 C ATOM 1704 CD2 PHE A 107 -10.704 6.632 8.831 1.00 0.00 C ATOM 1705 CE1 PHE A 107 -10.578 8.222 6.581 1.00 0.00 C ATOM 1706 CE2 PHE A 107 -11.613 7.659 8.661 1.00 0.00 C ATOM 1707 CZ PHE A 107 -11.551 8.454 7.533 1.00 0.00 C ATOM 0 H PHE A 107 -6.928 3.602 7.890 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.282 6.060 6.700 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -9.040 4.423 7.460 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -8.767 4.943 9.111 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -8.915 7.014 6.006 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -10.758 6.012 9.714 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -10.525 8.844 5.700 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -12.371 7.840 9.409 1.00 0.00 H new ATOM 0 HZ PHE A 107 -12.262 9.255 7.396 1.00 0.00 H new ATOM 1717 N ASP A 108 -6.719 6.391 9.950 1.00 0.00 N ATOM 1718 CA ASP A 108 -6.254 7.328 10.966 1.00 0.00 C ATOM 1719 C ASP A 108 -4.730 7.382 10.998 1.00 0.00 C ATOM 1720 O ASP A 108 -4.142 8.198 11.709 1.00 0.00 O ATOM 1721 CB ASP A 108 -6.791 6.929 12.342 1.00 0.00 C ATOM 1722 CG ASP A 108 -7.025 8.127 13.241 1.00 0.00 C ATOM 1723 OD1 ASP A 108 -6.286 9.124 13.106 1.00 0.00 O ATOM 1724 OD2 ASP A 108 -7.949 8.067 14.080 1.00 0.00 O ATOM 0 H ASP A 108 -6.970 5.470 10.309 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.630 8.319 10.711 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -7.726 6.382 12.219 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.085 6.251 12.822 1.00 0.00 H new ATOM 1729 N VAL A 109 -4.095 6.507 10.224 1.00 0.00 N ATOM 1730 CA VAL A 109 -2.639 6.456 10.163 1.00 0.00 C ATOM 1731 C VAL A 109 -2.044 6.121 11.526 1.00 0.00 C ATOM 1732 O VAL A 109 -1.093 6.762 11.974 1.00 0.00 O ATOM 1733 CB VAL A 109 -2.050 7.791 9.671 1.00 0.00 C ATOM 1734 CG1 VAL A 109 -0.587 7.622 9.293 1.00 0.00 C ATOM 1735 CG2 VAL A 109 -2.855 8.328 8.497 1.00 0.00 C ATOM 0 H VAL A 109 -4.566 5.824 9.631 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.379 5.671 9.453 1.00 0.00 H new ATOM 0 HB VAL A 109 -2.109 8.516 10.483 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.188 8.576 8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.023 7.286 10.163 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.500 6.883 8.497 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.425 9.272 8.162 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.831 7.608 7.679 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.887 8.490 8.807 1.00 0.00 H new ATOM 1745 N ARG A 110 -2.609 5.113 12.181 1.00 0.00 N ATOM 1746 CA ARG A 110 -2.135 4.693 13.494 1.00 0.00 C ATOM 1747 C ARG A 110 -0.769 4.021 13.390 1.00 0.00 C ATOM 1748 O ARG A 110 0.224 4.526 13.915 1.00 0.00 O ATOM 1749 CB ARG A 110 -3.138 3.735 14.140 1.00 0.00 C ATOM 1750 CG ARG A 110 -4.500 4.360 14.395 1.00 0.00 C ATOM 1751 CD ARG A 110 -4.548 5.061 15.743 1.00 0.00 C ATOM 1752 NE ARG A 110 -4.528 4.114 16.854 1.00 0.00 N ATOM 1753 CZ ARG A 110 -4.174 4.440 18.092 1.00 0.00 C ATOM 1754 NH1 ARG A 110 -3.814 5.684 18.376 1.00 0.00 N ATOM 1755 NH2 ARG A 110 -4.182 3.522 19.050 1.00 0.00 N ATOM 0 H ARG A 110 -3.396 4.571 11.824 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.037 5.581 14.118 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -3.262 2.864 13.496 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.729 3.377 15.085 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.727 5.075 13.604 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.268 3.588 14.358 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.699 5.739 15.829 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.450 5.670 15.803 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.801 3.149 16.669 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.808 6.393 17.643 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -3.543 5.932 19.328 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -4.460 2.564 18.836 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.910 3.774 20.000 1.00 0.00 H new ATOM 1769 N ASP A 111 -0.726 2.882 12.709 1.00 0.00 N ATOM 1770 CA ASP A 111 0.518 2.141 12.534 1.00 0.00 C ATOM 1771 C ASP A 111 0.758 1.821 11.062 1.00 0.00 C ATOM 1772 O ASP A 111 0.216 0.852 10.531 1.00 0.00 O ATOM 1773 CB ASP A 111 0.485 0.848 13.352 1.00 0.00 C ATOM 1774 CG ASP A 111 0.288 1.104 14.833 1.00 0.00 C ATOM 1775 OD1 ASP A 111 -0.423 2.071 15.178 1.00 0.00 O ATOM 1776 OD2 ASP A 111 0.847 0.339 15.647 1.00 0.00 O ATOM 0 H ASP A 111 -1.539 2.451 12.269 1.00 0.00 H new ATOM 0 HA ASP A 111 1.338 2.766 12.889 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.320 0.211 12.986 1.00 0.00 H new ATOM 0 HB3 ASP A 111 1.417 0.303 13.201 1.00 0.00 H new ATOM 1781 N PHE A 112 1.573 2.642 10.409 1.00 0.00 N ATOM 1782 CA PHE A 112 1.884 2.448 8.997 1.00 0.00 C ATOM 1783 C PHE A 112 2.746 1.205 8.796 1.00 0.00 C ATOM 1784 O PHE A 112 2.573 0.467 7.827 1.00 0.00 O ATOM 1785 CB PHE A 112 2.602 3.677 8.438 1.00 0.00 C ATOM 1786 CG PHE A 112 2.778 3.642 6.946 1.00 0.00 C ATOM 1787 CD1 PHE A 112 1.682 3.498 6.110 1.00 0.00 C ATOM 1788 CD2 PHE A 112 4.038 3.753 6.381 1.00 0.00 C ATOM 1789 CE1 PHE A 112 1.841 3.464 4.738 1.00 0.00 C ATOM 1790 CE2 PHE A 112 4.203 3.720 5.009 1.00 0.00 C ATOM 1791 CZ PHE A 112 3.103 3.576 4.186 1.00 0.00 C ATOM 0 H PHE A 112 2.030 3.448 10.835 1.00 0.00 H new ATOM 0 HA PHE A 112 0.946 2.309 8.459 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.040 4.571 8.709 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.581 3.762 8.909 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.693 3.411 6.536 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.901 3.867 7.020 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.979 3.350 4.097 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.191 3.807 4.581 1.00 0.00 H new ATOM 0 HZ PHE A 112 3.229 3.551 3.114 1.00 0.00 H new ATOM 1801 N GLY A 113 3.676 0.981 9.720 1.00 0.00 N ATOM 1802 CA GLY A 113 4.552 -0.172 9.626 1.00 0.00 C ATOM 1803 C GLY A 113 3.810 -1.433 9.230 1.00 0.00 C ATOM 1804 O GLY A 113 4.337 -2.269 8.496 1.00 0.00 O ATOM 0 H GLY A 113 3.838 1.577 10.531 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.335 0.029 8.895 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.044 -0.330 10.586 1.00 0.00 H new ATOM 1808 N LYS A 114 2.582 -1.574 9.719 1.00 0.00 N ATOM 1809 CA LYS A 114 1.765 -2.742 9.413 1.00 0.00 C ATOM 1810 C LYS A 114 1.433 -2.799 7.925 1.00 0.00 C ATOM 1811 O LYS A 114 1.413 -3.873 7.324 1.00 0.00 O ATOM 1812 CB LYS A 114 0.475 -2.717 10.235 1.00 0.00 C ATOM 1813 CG LYS A 114 0.708 -2.612 11.732 1.00 0.00 C ATOM 1814 CD LYS A 114 -0.415 -3.267 12.519 1.00 0.00 C ATOM 1815 CE LYS A 114 -1.676 -2.417 12.500 1.00 0.00 C ATOM 1816 NZ LYS A 114 -2.538 -2.729 11.327 1.00 0.00 N ATOM 0 H LYS A 114 2.131 -0.893 10.330 1.00 0.00 H new ATOM 0 HA LYS A 114 2.336 -3.633 9.673 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.136 -1.874 9.911 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.095 -3.622 10.027 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.656 -3.085 11.987 1.00 0.00 H new ATOM 0 HG3 LYS A 114 0.788 -1.563 12.016 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.630 -4.249 12.099 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.096 -3.424 13.549 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -2.239 -2.582 13.419 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.402 -1.362 12.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.713 -1.860 10.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.060 -3.426 10.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.444 -3.120 11.656 1.00 0.00 H new ATOM 1830 N VAL A 115 1.173 -1.636 7.337 1.00 0.00 N ATOM 1831 CA VAL A 115 0.844 -1.553 5.919 1.00 0.00 C ATOM 1832 C VAL A 115 2.055 -1.881 5.053 1.00 0.00 C ATOM 1833 O VAL A 115 1.928 -2.512 4.004 1.00 0.00 O ATOM 1834 CB VAL A 115 0.322 -0.153 5.545 1.00 0.00 C ATOM 1835 CG1 VAL A 115 -0.039 -0.095 4.068 1.00 0.00 C ATOM 1836 CG2 VAL A 115 -0.872 0.219 6.409 1.00 0.00 C ATOM 0 H VAL A 115 1.184 -0.738 7.821 1.00 0.00 H new ATOM 0 HA VAL A 115 0.060 -2.287 5.733 1.00 0.00 H new ATOM 0 HB VAL A 115 1.114 0.572 5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.406 0.901 3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.845 -0.315 3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.815 -0.830 3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.227 1.211 6.131 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.670 -0.508 6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.576 0.221 7.458 1.00 0.00 H new ATOM 1846 N ILE A 116 3.229 -1.447 5.500 1.00 0.00 N ATOM 1847 CA ILE A 116 4.464 -1.696 4.767 1.00 0.00 C ATOM 1848 C ILE A 116 4.761 -3.189 4.681 1.00 0.00 C ATOM 1849 O ILE A 116 5.029 -3.717 3.603 1.00 0.00 O ATOM 1850 CB ILE A 116 5.661 -0.983 5.423 1.00 0.00 C ATOM 1851 CG1 ILE A 116 5.376 0.513 5.566 1.00 0.00 C ATOM 1852 CG2 ILE A 116 6.925 -1.212 4.608 1.00 0.00 C ATOM 1853 CD1 ILE A 116 6.521 1.291 6.176 1.00 0.00 C ATOM 0 H ILE A 116 3.351 -0.922 6.366 1.00 0.00 H new ATOM 0 HA ILE A 116 4.320 -1.298 3.762 1.00 0.00 H new ATOM 0 HB ILE A 116 5.813 -1.401 6.418 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.149 0.927 4.584 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.487 0.648 6.182 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.762 -0.702 5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.134 -2.280 4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.785 -0.818 3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 116 6.248 2.344 6.247 1.00 0.00 H new ATOM 0 HD12 ILE A 116 6.734 0.904 7.172 1.00 0.00 H new ATOM 0 HD13 ILE A 116 7.407 1.187 5.549 1.00 0.00 H new ATOM 1865 N GLU A 117 4.709 -3.865 5.825 1.00 0.00 N ATOM 1866 CA GLU A 117 4.972 -5.298 5.878 1.00 0.00 C ATOM 1867 C GLU A 117 4.135 -6.043 4.842 1.00 0.00 C ATOM 1868 O GLU A 117 4.662 -6.815 4.039 1.00 0.00 O ATOM 1869 CB GLU A 117 4.674 -5.842 7.277 1.00 0.00 C ATOM 1870 CG GLU A 117 5.270 -7.216 7.535 1.00 0.00 C ATOM 1871 CD GLU A 117 4.616 -7.925 8.705 1.00 0.00 C ATOM 1872 OE1 GLU A 117 4.564 -7.333 9.803 1.00 0.00 O ATOM 1873 OE2 GLU A 117 4.157 -9.072 8.523 1.00 0.00 O ATOM 0 H GLU A 117 4.487 -3.443 6.727 1.00 0.00 H new ATOM 0 HA GLU A 117 6.026 -5.457 5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.059 -5.143 8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.594 -5.892 7.416 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.164 -7.828 6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 117 6.338 -7.114 7.727 1.00 0.00 H new ATOM 1880 N THR A 118 2.827 -5.807 4.865 1.00 0.00 N ATOM 1881 CA THR A 118 1.917 -6.456 3.930 1.00 0.00 C ATOM 1882 C THR A 118 2.543 -6.572 2.545 1.00 0.00 C ATOM 1883 O THR A 118 2.517 -7.639 1.928 1.00 0.00 O ATOM 1884 CB THR A 118 0.587 -5.687 3.816 1.00 0.00 C ATOM 1885 OG1 THR A 118 -0.080 -5.672 5.084 1.00 0.00 O ATOM 1886 CG2 THR A 118 -0.317 -6.322 2.770 1.00 0.00 C ATOM 0 H THR A 118 2.374 -5.171 5.521 1.00 0.00 H new ATOM 0 HA THR A 118 1.720 -7.454 4.322 1.00 0.00 H new ATOM 0 HB THR A 118 0.809 -4.665 3.510 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.397 -5.075 5.698 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.250 -5.762 2.707 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.181 -6.307 1.801 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.531 -7.353 3.052 1.00 0.00 H new ATOM 1894 N LEU A 119 3.105 -5.471 2.060 1.00 0.00 N ATOM 1895 CA LEU A 119 3.739 -5.450 0.746 1.00 0.00 C ATOM 1896 C LEU A 119 5.003 -6.303 0.738 1.00 0.00 C ATOM 1897 O LEU A 119 5.251 -7.054 -0.205 1.00 0.00 O ATOM 1898 CB LEU A 119 4.078 -4.013 0.345 1.00 0.00 C ATOM 1899 CG LEU A 119 2.996 -2.967 0.618 1.00 0.00 C ATOM 1900 CD1 LEU A 119 3.489 -1.579 0.239 1.00 0.00 C ATOM 1901 CD2 LEU A 119 1.721 -3.308 -0.139 1.00 0.00 C ATOM 0 H LEU A 119 3.135 -4.581 2.557 1.00 0.00 H new ATOM 0 HA LEU A 119 3.037 -5.867 0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.985 -3.714 0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.308 -3.999 -0.720 1.00 0.00 H new ATOM 0 HG LEU A 119 2.773 -2.972 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.706 -0.847 0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.374 -1.334 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 119 3.741 -1.559 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.962 -2.553 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 119 1.928 -3.331 -1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.358 -4.284 0.182 1.00 0.00 H new ATOM 1913 N SER A 120 5.798 -6.185 1.797 1.00 0.00 N ATOM 1914 CA SER A 120 7.038 -6.944 1.911 1.00 0.00 C ATOM 1915 C SER A 120 6.806 -8.415 1.579 1.00 0.00 C ATOM 1916 O SER A 120 7.657 -9.068 0.975 1.00 0.00 O ATOM 1917 CB SER A 120 7.613 -6.812 3.322 1.00 0.00 C ATOM 1918 OG SER A 120 7.767 -5.451 3.685 1.00 0.00 O ATOM 0 H SER A 120 5.605 -5.571 2.588 1.00 0.00 H new ATOM 0 HA SER A 120 7.753 -6.536 1.196 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.955 -7.309 4.034 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.578 -7.317 3.374 1.00 0.00 H new ATOM 0 HG SER A 120 8.134 -5.394 4.592 1.00 0.00 H new ATOM 1924 N ARG A 121 5.648 -8.930 1.979 1.00 0.00 N ATOM 1925 CA ARG A 121 5.303 -10.324 1.726 1.00 0.00 C ATOM 1926 C ARG A 121 4.691 -10.490 0.338 1.00 0.00 C ATOM 1927 O ARG A 121 5.185 -11.266 -0.480 1.00 0.00 O ATOM 1928 CB ARG A 121 4.327 -10.831 2.789 1.00 0.00 C ATOM 1929 CG ARG A 121 4.875 -10.757 4.205 1.00 0.00 C ATOM 1930 CD ARG A 121 3.796 -11.045 5.237 1.00 0.00 C ATOM 1931 NE ARG A 121 4.358 -11.500 6.505 1.00 0.00 N ATOM 1932 CZ ARG A 121 4.762 -12.747 6.725 1.00 0.00 C ATOM 1933 NH1 ARG A 121 4.666 -13.657 5.766 1.00 0.00 N ATOM 1934 NH2 ARG A 121 5.263 -13.085 7.906 1.00 0.00 N ATOM 0 H ARG A 121 4.933 -8.403 2.480 1.00 0.00 H new ATOM 0 HA ARG A 121 6.219 -10.913 1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.408 -10.248 2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.063 -11.864 2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 121 5.689 -11.473 4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 121 5.294 -9.767 4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 121 3.206 -10.144 5.405 1.00 0.00 H new ATOM 0 HD3 ARG A 121 3.117 -11.804 4.849 1.00 0.00 H new ATOM 0 HE ARG A 121 4.445 -10.824 7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 121 4.281 -13.401 4.857 1.00 0.00 H new ATOM 0 HH12 ARG A 121 4.977 -14.613 5.937 1.00 0.00 H new ATOM 0 HH21 ARG A 121 5.338 -12.388 8.646 1.00 0.00 H new ATOM 0 HH22 ARG A 121 5.573 -14.042 8.074 1.00 0.00 H new ATOM 1948 N LEU A 122 3.615 -9.755 0.081 1.00 0.00 N ATOM 1949 CA LEU A 122 2.935 -9.821 -1.208 1.00 0.00 C ATOM 1950 C LEU A 122 3.934 -10.037 -2.341 1.00 0.00 C ATOM 1951 O LEU A 122 3.713 -10.861 -3.228 1.00 0.00 O ATOM 1952 CB LEU A 122 2.139 -8.537 -1.453 1.00 0.00 C ATOM 1953 CG LEU A 122 1.656 -8.310 -2.886 1.00 0.00 C ATOM 1954 CD1 LEU A 122 0.575 -9.315 -3.251 1.00 0.00 C ATOM 1955 CD2 LEU A 122 1.145 -6.887 -3.057 1.00 0.00 C ATOM 0 H LEU A 122 3.195 -9.107 0.747 1.00 0.00 H new ATOM 0 HA LEU A 122 2.250 -10.668 -1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 122 1.271 -8.540 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 122 2.757 -7.688 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 122 2.500 -8.455 -3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.244 -9.138 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 122 0.975 -10.326 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -0.270 -9.203 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.805 -6.743 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.315 -6.714 -2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.948 -6.183 -2.839 1.00 0.00 H new ATOM 1967 N SER A 123 5.034 -9.292 -2.302 1.00 0.00 N ATOM 1968 CA SER A 123 6.067 -9.402 -3.326 1.00 0.00 C ATOM 1969 C SER A 123 6.383 -10.864 -3.625 1.00 0.00 C ATOM 1970 O SER A 123 6.432 -11.275 -4.784 1.00 0.00 O ATOM 1971 CB SER A 123 7.336 -8.674 -2.879 1.00 0.00 C ATOM 1972 OG SER A 123 7.989 -9.380 -1.838 1.00 0.00 O ATOM 0 H SER A 123 5.233 -8.606 -1.573 1.00 0.00 H new ATOM 0 HA SER A 123 5.692 -8.937 -4.238 1.00 0.00 H new ATOM 0 HB2 SER A 123 8.012 -8.562 -3.726 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.082 -7.670 -2.538 1.00 0.00 H new ATOM 0 HG SER A 123 7.647 -9.075 -0.972 1.00 0.00 H new ATOM 1978 N ARG A 124 6.597 -11.644 -2.570 1.00 0.00 N ATOM 1979 CA ARG A 124 6.910 -13.060 -2.719 1.00 0.00 C ATOM 1980 C ARG A 124 6.035 -13.701 -3.792 1.00 0.00 C ATOM 1981 O ARG A 124 6.492 -14.555 -4.553 1.00 0.00 O ATOM 1982 CB ARG A 124 6.718 -13.789 -1.387 1.00 0.00 C ATOM 1983 CG ARG A 124 7.705 -13.362 -0.312 1.00 0.00 C ATOM 1984 CD ARG A 124 7.607 -14.252 0.918 1.00 0.00 C ATOM 1985 NE ARG A 124 7.925 -15.644 0.613 1.00 0.00 N ATOM 1986 CZ ARG A 124 7.029 -16.524 0.179 1.00 0.00 C ATOM 1987 NH1 ARG A 124 5.767 -16.158 0.000 1.00 0.00 N ATOM 1988 NH2 ARG A 124 7.395 -17.774 -0.077 1.00 0.00 N ATOM 0 H ARG A 124 6.559 -11.319 -1.604 1.00 0.00 H new ATOM 0 HA ARG A 124 7.952 -13.145 -3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 124 5.704 -13.612 -1.028 1.00 0.00 H new ATOM 0 HB3 ARG A 124 6.815 -14.862 -1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 124 8.719 -13.401 -0.711 1.00 0.00 H new ATOM 0 HG3 ARG A 124 7.513 -12.327 -0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 124 8.287 -13.885 1.686 1.00 0.00 H new ATOM 0 HD3 ARG A 124 6.599 -14.192 1.329 1.00 0.00 H new ATOM 0 HE ARG A 124 8.887 -15.958 0.740 1.00 0.00 H new ATOM 0 HH11 ARG A 124 5.482 -15.198 0.196 1.00 0.00 H new ATOM 0 HH12 ARG A 124 5.082 -16.836 -0.333 1.00 0.00 H new ATOM 0 HH21 ARG A 124 8.365 -18.060 0.059 1.00 0.00 H new ATOM 0 HH22 ARG A 124 6.707 -18.449 -0.410 1.00 0.00 H new ATOM 2002 N THR A 125 4.774 -13.283 -3.848 1.00 0.00 N ATOM 2003 CA THR A 125 3.835 -13.817 -4.826 1.00 0.00 C ATOM 2004 C THR A 125 4.489 -13.958 -6.196 1.00 0.00 C ATOM 2005 O THR A 125 5.375 -13.190 -6.569 1.00 0.00 O ATOM 2006 CB THR A 125 2.588 -12.921 -4.954 1.00 0.00 C ATOM 2007 OG1 THR A 125 2.964 -11.625 -5.433 1.00 0.00 O ATOM 2008 CG2 THR A 125 1.878 -12.787 -3.616 1.00 0.00 C ATOM 0 H THR A 125 4.380 -12.576 -3.227 1.00 0.00 H new ATOM 0 HA THR A 125 3.531 -14.801 -4.469 1.00 0.00 H new ATOM 0 HB THR A 125 1.904 -13.386 -5.664 1.00 0.00 H new ATOM 0 HG1 THR A 125 3.488 -11.162 -4.746 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.001 -12.150 -3.732 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.568 -13.772 -3.269 1.00 0.00 H new ATOM 0 HG23 THR A 125 2.556 -12.342 -2.887 1.00 0.00 H new ATOM 2016 N PRO A 126 4.042 -14.962 -6.965 1.00 0.00 N ATOM 2017 CA PRO A 126 4.569 -15.226 -8.307 1.00 0.00 C ATOM 2018 C PRO A 126 4.169 -14.150 -9.309 1.00 0.00 C ATOM 2019 O PRO A 126 4.536 -14.214 -10.483 1.00 0.00 O ATOM 2020 CB PRO A 126 3.934 -16.568 -8.680 1.00 0.00 C ATOM 2021 CG PRO A 126 2.685 -16.633 -7.870 1.00 0.00 C ATOM 2022 CD PRO A 126 2.987 -15.916 -6.584 1.00 0.00 C ATOM 0 HA PRO A 126 5.659 -15.236 -8.322 1.00 0.00 H new ATOM 0 HB2 PRO A 126 3.717 -16.621 -9.747 1.00 0.00 H new ATOM 0 HB3 PRO A 126 4.600 -17.399 -8.449 1.00 0.00 H new ATOM 0 HG2 PRO A 126 1.855 -16.160 -8.395 1.00 0.00 H new ATOM 0 HG3 PRO A 126 2.396 -17.667 -7.682 1.00 0.00 H new ATOM 0 HD2 PRO A 126 2.107 -15.406 -6.192 1.00 0.00 H new ATOM 0 HD3 PRO A 126 3.328 -16.604 -5.811 1.00 0.00 H new ATOM 2030 N ILE A 127 3.415 -13.162 -8.840 1.00 0.00 N ATOM 2031 CA ILE A 127 2.966 -12.071 -9.696 1.00 0.00 C ATOM 2032 C ILE A 127 3.887 -10.861 -9.573 1.00 0.00 C ATOM 2033 O ILE A 127 4.224 -10.221 -10.568 1.00 0.00 O ATOM 2034 CB ILE A 127 1.526 -11.643 -9.355 1.00 0.00 C ATOM 2035 CG1 ILE A 127 0.571 -12.830 -9.497 1.00 0.00 C ATOM 2036 CG2 ILE A 127 1.089 -10.494 -10.252 1.00 0.00 C ATOM 2037 CD1 ILE A 127 0.439 -13.653 -8.235 1.00 0.00 C ATOM 0 H ILE A 127 3.102 -13.094 -7.872 1.00 0.00 H new ATOM 0 HA ILE A 127 2.993 -12.442 -10.720 1.00 0.00 H new ATOM 0 HB ILE A 127 1.499 -11.301 -8.320 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.413 -12.462 -9.785 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.920 -13.472 -10.305 1.00 0.00 H new ATOM 0 HG21 ILE A 127 0.070 -10.203 -9.999 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.756 -9.644 -10.106 1.00 0.00 H new ATOM 0 HG23 ILE A 127 1.128 -10.811 -11.294 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.253 -14.477 -8.409 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.415 -14.051 -7.957 1.00 0.00 H new ATOM 0 HD13 ILE A 127 0.060 -13.025 -7.429 1.00 0.00 H new ATOM 2049 N ALA A 128 4.291 -10.555 -8.344 1.00 0.00 N ATOM 2050 CA ALA A 128 5.176 -9.425 -8.091 1.00 0.00 C ATOM 2051 C ALA A 128 6.558 -9.664 -8.690 1.00 0.00 C ATOM 2052 O ALA A 128 7.157 -8.761 -9.275 1.00 0.00 O ATOM 2053 CB ALA A 128 5.285 -9.165 -6.596 1.00 0.00 C ATOM 0 H ALA A 128 4.019 -11.074 -7.509 1.00 0.00 H new ATOM 0 HA ALA A 128 4.748 -8.546 -8.572 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.949 -8.318 -6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 128 4.297 -8.941 -6.193 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.687 -10.049 -6.101 1.00 0.00 H new ATOM 2059 N LEU A 129 7.059 -10.886 -8.541 1.00 0.00 N ATOM 2060 CA LEU A 129 8.371 -11.244 -9.067 1.00 0.00 C ATOM 2061 C LEU A 129 8.345 -11.319 -10.590 1.00 0.00 C ATOM 2062 O LEU A 129 9.244 -10.814 -11.262 1.00 0.00 O ATOM 2063 CB LEU A 129 8.827 -12.584 -8.487 1.00 0.00 C ATOM 2064 CG LEU A 129 8.834 -12.687 -6.961 1.00 0.00 C ATOM 2065 CD1 LEU A 129 9.111 -14.117 -6.524 1.00 0.00 C ATOM 2066 CD2 LEU A 129 9.864 -11.737 -6.367 1.00 0.00 C ATOM 0 H LEU A 129 6.576 -11.645 -8.060 1.00 0.00 H new ATOM 0 HA LEU A 129 9.077 -10.468 -8.772 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.179 -13.367 -8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.834 -12.791 -8.850 1.00 0.00 H new ATOM 0 HG LEU A 129 7.849 -12.400 -6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 129 9.112 -14.171 -5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 129 8.337 -14.775 -6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 129 10.083 -14.432 -6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 129 9.855 -11.824 -5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.855 -11.993 -6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.621 -10.713 -6.651 1.00 0.00 H new ATOM 2078 N ALA A 130 7.308 -11.952 -11.129 1.00 0.00 N ATOM 2079 CA ALA A 130 7.162 -12.089 -12.573 1.00 0.00 C ATOM 2080 C ALA A 130 7.624 -10.827 -13.294 1.00 0.00 C ATOM 2081 O ALA A 130 8.380 -10.895 -14.264 1.00 0.00 O ATOM 2082 CB ALA A 130 5.717 -12.404 -12.930 1.00 0.00 C ATOM 0 H ALA A 130 6.556 -12.378 -10.587 1.00 0.00 H new ATOM 0 HA ALA A 130 7.794 -12.915 -12.900 1.00 0.00 H new ATOM 0 HB1 ALA A 130 5.623 -12.504 -14.011 1.00 0.00 H new ATOM 0 HB2 ALA A 130 5.419 -13.337 -12.452 1.00 0.00 H new ATOM 0 HB3 ALA A 130 5.072 -11.597 -12.582 1.00 0.00 H new ATOM 2088 N THR A 131 7.165 -9.675 -12.814 1.00 0.00 N ATOM 2089 CA THR A 131 7.529 -8.398 -13.414 1.00 0.00 C ATOM 2090 C THR A 131 9.035 -8.171 -13.351 1.00 0.00 C ATOM 2091 O THR A 131 9.630 -7.625 -14.279 1.00 0.00 O ATOM 2092 CB THR A 131 6.815 -7.225 -12.716 1.00 0.00 C ATOM 2093 OG1 THR A 131 7.297 -7.087 -11.375 1.00 0.00 O ATOM 2094 CG2 THR A 131 5.309 -7.442 -12.700 1.00 0.00 C ATOM 0 H THR A 131 6.540 -9.601 -12.011 1.00 0.00 H new ATOM 0 HA THR A 131 7.213 -8.437 -14.456 1.00 0.00 H new ATOM 0 HB THR A 131 7.029 -6.313 -13.274 1.00 0.00 H new ATOM 0 HG1 THR A 131 7.074 -7.892 -10.863 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.826 -6.601 -12.202 1.00 0.00 H new ATOM 0 HG22 THR A 131 4.941 -7.518 -13.723 1.00 0.00 H new ATOM 0 HG23 THR A 131 5.080 -8.362 -12.163 1.00 0.00 H new ATOM 2102 N GLY A 132 9.648 -8.595 -12.249 1.00 0.00 N ATOM 2103 CA GLY A 132 11.080 -8.429 -12.086 1.00 0.00 C ATOM 2104 C GLY A 132 11.433 -7.185 -11.294 1.00 0.00 C ATOM 2105 O GLY A 132 12.521 -6.630 -11.450 1.00 0.00 O ATOM 0 H GLY A 132 9.178 -9.050 -11.467 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.489 -9.305 -11.582 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.551 -8.377 -13.068 1.00 0.00 H new ATOM 2109 N ILE A 133 10.511 -6.746 -10.443 1.00 0.00 N ATOM 2110 CA ILE A 133 10.731 -5.560 -9.625 1.00 0.00 C ATOM 2111 C ILE A 133 11.551 -5.894 -8.383 1.00 0.00 C ATOM 2112 O ILE A 133 11.433 -6.984 -7.823 1.00 0.00 O ATOM 2113 CB ILE A 133 9.399 -4.921 -9.191 1.00 0.00 C ATOM 2114 CG1 ILE A 133 8.616 -4.441 -10.415 1.00 0.00 C ATOM 2115 CG2 ILE A 133 9.653 -3.767 -8.232 1.00 0.00 C ATOM 2116 CD1 ILE A 133 7.149 -4.197 -10.136 1.00 0.00 C ATOM 0 H ILE A 133 9.605 -7.194 -10.302 1.00 0.00 H new ATOM 0 HA ILE A 133 11.282 -4.849 -10.241 1.00 0.00 H new ATOM 0 HB ILE A 133 8.803 -5.673 -8.674 1.00 0.00 H new ATOM 0 HG12 ILE A 133 9.065 -3.520 -10.785 1.00 0.00 H new ATOM 0 HG13 ILE A 133 8.708 -5.182 -11.209 1.00 0.00 H new ATOM 0 HG21 ILE A 133 8.702 -3.325 -7.934 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.174 -4.136 -7.349 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.265 -3.012 -8.725 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.657 -3.859 -11.048 1.00 0.00 H new ATOM 0 HD12 ILE A 133 6.685 -5.122 -9.795 1.00 0.00 H new ATOM 0 HD13 ILE A 133 7.047 -3.434 -9.364 1.00 0.00 H new ATOM 2128 N ARG A 134 12.380 -4.947 -7.956 1.00 0.00 N ATOM 2129 CA ARG A 134 13.219 -5.140 -6.779 1.00 0.00 C ATOM 2130 C ARG A 134 12.475 -5.926 -5.704 1.00 0.00 C ATOM 2131 O ARG A 134 11.665 -5.384 -4.952 1.00 0.00 O ATOM 2132 CB ARG A 134 13.667 -3.788 -6.219 1.00 0.00 C ATOM 2133 CG ARG A 134 14.540 -2.992 -7.175 1.00 0.00 C ATOM 2134 CD ARG A 134 14.867 -1.616 -6.617 1.00 0.00 C ATOM 2135 NE ARG A 134 16.007 -1.652 -5.705 1.00 0.00 N ATOM 2136 CZ ARG A 134 17.272 -1.635 -6.111 1.00 0.00 C ATOM 2137 NH1 ARG A 134 17.557 -1.582 -7.404 1.00 0.00 N ATOM 2138 NH2 ARG A 134 18.256 -1.670 -5.220 1.00 0.00 N ATOM 0 H ARG A 134 12.489 -4.039 -8.407 1.00 0.00 H new ATOM 0 HA ARG A 134 14.098 -5.711 -7.080 1.00 0.00 H new ATOM 0 HB2 ARG A 134 12.785 -3.198 -5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 134 14.215 -3.952 -5.291 1.00 0.00 H new ATOM 0 HG2 ARG A 134 15.464 -3.538 -7.365 1.00 0.00 H new ATOM 0 HG3 ARG A 134 14.030 -2.886 -8.132 1.00 0.00 H new ATOM 0 HD2 ARG A 134 15.082 -0.933 -7.439 1.00 0.00 H new ATOM 0 HD3 ARG A 134 13.996 -1.221 -6.094 1.00 0.00 H new ATOM 0 HE ARG A 134 15.822 -1.692 -4.703 1.00 0.00 H new ATOM 0 HH11 ARG A 134 16.804 -1.554 -8.091 1.00 0.00 H new ATOM 0 HH12 ARG A 134 18.529 -1.569 -7.712 1.00 0.00 H new ATOM 0 HH21 ARG A 134 18.041 -1.710 -4.224 1.00 0.00 H new ATOM 0 HH22 ARG A 134 19.227 -1.657 -5.532 1.00 0.00 H new ATOM 2152 N PRO A 135 12.754 -7.236 -5.629 1.00 0.00 N ATOM 2153 CA PRO A 135 12.123 -8.125 -4.650 1.00 0.00 C ATOM 2154 C PRO A 135 12.589 -7.844 -3.225 1.00 0.00 C ATOM 2155 O PRO A 135 13.764 -7.564 -2.990 1.00 0.00 O ATOM 2156 CB PRO A 135 12.573 -9.519 -5.094 1.00 0.00 C ATOM 2157 CG PRO A 135 13.850 -9.289 -5.826 1.00 0.00 C ATOM 2158 CD PRO A 135 13.710 -7.949 -6.493 1.00 0.00 C ATOM 0 HA PRO A 135 11.041 -7.999 -4.625 1.00 0.00 H new ATOM 0 HB2 PRO A 135 12.720 -10.179 -4.239 1.00 0.00 H new ATOM 0 HB3 PRO A 135 11.828 -9.990 -5.735 1.00 0.00 H new ATOM 0 HG2 PRO A 135 14.699 -9.298 -5.142 1.00 0.00 H new ATOM 0 HG3 PRO A 135 14.025 -10.074 -6.561 1.00 0.00 H new ATOM 0 HD2 PRO A 135 14.665 -7.427 -6.551 1.00 0.00 H new ATOM 0 HD3 PRO A 135 13.336 -8.045 -7.512 1.00 0.00 H new