USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -3.57 K(o=-4.4,f=-2.1) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.193 USER MOD Set 1.3: A 107 MET CE :methyl 152:sc= -0.619 (180deg=-1.64) USER MOD Set 2.1: A 106 MET CE :methyl -112:sc= -2.78! (180deg=-0.232) USER MOD Set 2.2: A 114 ASN : amide:sc= -0.668 K(o=-3.4,f=-2.7!) USER MOD Set 3.1: A 47 HIS : no HD1:sc=-0.00727 X(o=-0.0073,f=-0.012) USER MOD Set 3.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 11 LYS NZ :NH3+ -155:sc= 0 (180deg=0) USER MOD Set 4.2: A 24 LYS NZ :NH3+ 150:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -111:sc= 0.148 USER MOD Single : A 14 ASN : amide:sc= -1.97 K(o=-2,f=-0.46) USER MOD Single : A 16 GLN : amide:sc= 0.16 K(o=0.16,f=-2.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -156:sc= 1.83 USER MOD Single : A 28 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.001) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0.00027) USER MOD Single : A 45 SER OG : rot 96:sc= -0.444 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -4.13! C(o=-4.1!,f=-5.1!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.028 USER MOD Single : A 70 ASN : amide:sc= -0.0262 X(o=-0.026,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.53) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -1.55 USER MOD Single : A 89 ASN : amide:sc= -2.25! C(o=-2.2!,f=-2.8!) USER MOD Single : A 104 CYS SG : rot -120:sc= 2.09 USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 7 1.318 -18.520 -0.843 1.00 0.00 N ATOM 82 CA THR A 7 0.157 -17.748 -0.430 1.00 0.00 C ATOM 83 C THR A 7 -0.190 -16.674 -1.456 1.00 0.00 C ATOM 84 O THR A 7 -1.112 -15.885 -1.251 1.00 0.00 O ATOM 85 CB THR A 7 0.409 -17.101 0.935 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.813 -16.751 1.556 1.00 0.00 O ATOM 87 CG2 THR A 7 1.261 -15.850 0.860 1.00 0.00 C ATOM 0 HA THR A 7 -0.688 -18.432 -0.355 1.00 0.00 H new ATOM 0 HB THR A 7 0.947 -17.852 1.514 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.899 -15.775 1.581 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.400 -15.444 1.862 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.232 -16.096 0.431 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.765 -15.109 0.233 1.00 0.00 H new ATOM 95 N CYS A 8 0.559 -16.640 -2.554 1.00 0.00 N ATOM 96 CA CYS A 8 0.329 -15.650 -3.600 1.00 0.00 C ATOM 97 C CYS A 8 -0.265 -16.290 -4.855 1.00 0.00 C ATOM 98 O CYS A 8 0.466 -16.725 -5.745 1.00 0.00 O ATOM 99 CB CYS A 8 1.635 -14.931 -3.942 1.00 0.00 C ATOM 100 SG CYS A 8 2.740 -14.683 -2.514 1.00 0.00 S ATOM 0 H CYS A 8 1.327 -17.284 -2.742 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.391 -14.925 -3.222 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.165 -15.504 -4.703 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.400 -13.961 -4.379 1.00 0.00 H new ATOM 105 N PRO A 9 -1.607 -16.355 -4.940 1.00 0.00 N ATOM 106 CA PRO A 9 -2.299 -16.942 -6.084 1.00 0.00 C ATOM 107 C PRO A 9 -2.479 -15.954 -7.235 1.00 0.00 C ATOM 108 O PRO A 9 -1.915 -16.135 -8.314 1.00 0.00 O ATOM 109 CB PRO A 9 -3.650 -17.339 -5.495 1.00 0.00 C ATOM 110 CG PRO A 9 -3.903 -16.350 -4.404 1.00 0.00 C ATOM 111 CD PRO A 9 -2.556 -15.865 -3.921 1.00 0.00 C ATOM 0 HA PRO A 9 -1.743 -17.771 -6.521 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.435 -17.303 -6.250 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.627 -18.357 -5.107 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.503 -15.517 -4.771 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.461 -16.810 -3.589 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.529 -14.778 -3.842 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.320 -16.262 -2.934 1.00 0.00 H new ATOM 119 N GLU A 10 -3.273 -14.914 -7.001 1.00 0.00 N ATOM 120 CA GLU A 10 -3.533 -13.901 -8.019 1.00 0.00 C ATOM 121 C GLU A 10 -3.259 -12.498 -7.485 1.00 0.00 C ATOM 122 O GLU A 10 -2.196 -11.929 -7.732 1.00 0.00 O ATOM 123 CB GLU A 10 -4.981 -14.005 -8.505 1.00 0.00 C ATOM 124 CG GLU A 10 -5.366 -12.928 -9.505 1.00 0.00 C ATOM 125 CD GLU A 10 -5.943 -13.499 -10.784 1.00 0.00 C ATOM 126 OE1 GLU A 10 -7.118 -13.924 -10.768 1.00 0.00 O ATOM 127 OE2 GLU A 10 -5.222 -13.520 -11.804 1.00 0.00 O ATOM 0 H GLU A 10 -3.749 -14.750 -6.114 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.859 -14.081 -8.856 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.133 -14.983 -8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.649 -13.947 -7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.095 -12.258 -9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.488 -12.328 -9.743 1.00 0.00 H new ATOM 134 N LYS A 11 -4.228 -11.945 -6.760 1.00 0.00 N ATOM 135 CA LYS A 11 -4.098 -10.604 -6.192 1.00 0.00 C ATOM 136 C LYS A 11 -2.781 -10.458 -5.436 1.00 0.00 C ATOM 137 O LYS A 11 -2.139 -9.412 -5.480 1.00 0.00 O ATOM 138 CB LYS A 11 -5.271 -10.308 -5.256 1.00 0.00 C ATOM 139 CG LYS A 11 -6.631 -10.496 -5.908 1.00 0.00 C ATOM 140 CD LYS A 11 -7.723 -10.703 -4.872 1.00 0.00 C ATOM 141 CE LYS A 11 -9.038 -10.081 -5.314 1.00 0.00 C ATOM 142 NZ LYS A 11 -9.988 -9.925 -4.180 1.00 0.00 N ATOM 0 H LYS A 11 -5.114 -12.405 -6.551 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.107 -9.887 -7.013 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.202 -10.958 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.188 -9.282 -4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.867 -9.623 -6.517 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.598 -11.354 -6.579 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.864 -11.770 -4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.413 -10.265 -3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.846 -9.106 -5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.493 -10.703 -6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.963 -9.912 -4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.875 -10.721 -3.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.792 -9.033 -3.683 1.00 0.00 H new ATOM 156 N TRP A 12 -2.389 -11.520 -4.747 1.00 0.00 N ATOM 157 CA TRP A 12 -1.152 -11.530 -3.981 1.00 0.00 C ATOM 158 C TRP A 12 0.054 -11.526 -4.915 1.00 0.00 C ATOM 159 O TRP A 12 0.009 -12.097 -6.004 1.00 0.00 O ATOM 160 CB TRP A 12 -1.092 -12.759 -3.074 1.00 0.00 C ATOM 161 CG TRP A 12 -2.183 -12.818 -2.046 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.529 -12.748 -2.268 1.00 0.00 C ATOM 163 CD2 TRP A 12 -2.016 -12.970 -0.632 1.00 0.00 C ATOM 164 NE1 TRP A 12 -4.208 -12.845 -1.076 1.00 0.00 N ATOM 165 CE2 TRP A 12 -3.301 -12.982 -0.058 1.00 0.00 C ATOM 166 CE3 TRP A 12 -0.903 -13.097 0.205 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -3.503 -13.117 1.314 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -1.105 -13.231 1.566 1.00 0.00 C ATOM 169 CH2 TRP A 12 -2.396 -13.240 2.108 1.00 0.00 C ATOM 0 H TRP A 12 -2.915 -12.393 -4.703 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.129 -10.632 -3.364 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.141 -13.656 -3.692 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.128 -12.775 -2.566 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.992 -12.633 -3.237 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.222 -12.819 -0.967 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.096 -13.091 -0.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -4.497 -13.124 1.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -0.253 -13.330 2.222 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.520 -13.346 3.176 1.00 0.00 H new ATOM 180 N ILE A 13 1.132 -10.882 -4.482 1.00 0.00 N ATOM 181 CA ILE A 13 2.351 -10.808 -5.279 1.00 0.00 C ATOM 182 C ILE A 13 3.594 -11.014 -4.415 1.00 0.00 C ATOM 183 O ILE A 13 3.787 -10.322 -3.420 1.00 0.00 O ATOM 184 CB ILE A 13 2.473 -9.453 -6.004 1.00 0.00 C ATOM 185 CG1 ILE A 13 1.143 -8.685 -5.965 1.00 0.00 C ATOM 186 CG2 ILE A 13 2.933 -9.671 -7.433 1.00 0.00 C ATOM 187 CD1 ILE A 13 0.234 -8.948 -7.152 1.00 0.00 C ATOM 0 H ILE A 13 1.187 -10.403 -3.583 1.00 0.00 H new ATOM 0 HA ILE A 13 2.286 -11.606 -6.018 1.00 0.00 H new ATOM 0 HB ILE A 13 3.217 -8.847 -5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.612 -8.948 -5.050 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.355 -7.617 -5.914 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.017 -8.709 -7.939 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.904 -10.166 -7.431 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.209 -10.295 -7.957 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.682 -8.367 -7.045 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.743 -8.657 -8.071 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.012 -10.009 -7.194 1.00 0.00 H new ATOM 199 N ASN A 14 4.436 -11.968 -4.809 1.00 0.00 N ATOM 200 CA ASN A 14 5.662 -12.267 -4.071 1.00 0.00 C ATOM 201 C ASN A 14 6.895 -11.781 -4.824 1.00 0.00 C ATOM 202 O ASN A 14 6.888 -11.688 -6.052 1.00 0.00 O ATOM 203 CB ASN A 14 5.771 -13.768 -3.801 1.00 0.00 C ATOM 204 CG ASN A 14 7.109 -14.155 -3.199 1.00 0.00 C ATOM 205 OD1 ASN A 14 7.963 -14.732 -3.874 1.00 0.00 O ATOM 206 ND2 ASN A 14 7.300 -13.836 -1.924 1.00 0.00 N ATOM 0 H ASN A 14 4.291 -12.548 -5.636 1.00 0.00 H new ATOM 0 HA ASN A 14 5.614 -11.737 -3.120 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.971 -14.071 -3.126 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.625 -14.313 -4.733 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.181 -14.069 -1.467 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.565 -13.358 -1.402 1.00 0.00 H new ATOM 213 N PHE A 15 7.950 -11.466 -4.078 1.00 0.00 N ATOM 214 CA PHE A 15 9.190 -10.980 -4.671 1.00 0.00 C ATOM 215 C PHE A 15 10.398 -11.742 -4.125 1.00 0.00 C ATOM 216 O PHE A 15 10.410 -12.973 -4.120 1.00 0.00 O ATOM 217 CB PHE A 15 9.346 -9.480 -4.407 1.00 0.00 C ATOM 218 CG PHE A 15 8.059 -8.715 -4.521 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.613 -8.260 -5.752 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.295 -8.454 -3.397 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.427 -7.559 -5.857 1.00 0.00 C ATOM 222 CE2 PHE A 15 6.110 -7.753 -3.495 1.00 0.00 C ATOM 223 CZ PHE A 15 5.675 -7.305 -4.726 1.00 0.00 C ATOM 0 H PHE A 15 7.970 -11.539 -3.061 1.00 0.00 H new ATOM 0 HA PHE A 15 9.142 -11.150 -5.747 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.758 -9.336 -3.408 1.00 0.00 H new ATOM 0 HB3 PHE A 15 10.068 -9.068 -5.112 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.199 -8.455 -6.638 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.630 -8.803 -2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.088 -7.210 -6.821 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.524 -7.555 -2.610 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.748 -6.757 -4.805 1.00 0.00 H new ATOM 233 N GLN A 16 11.412 -11.005 -3.668 1.00 0.00 N ATOM 234 CA GLN A 16 12.621 -11.613 -3.123 1.00 0.00 C ATOM 235 C GLN A 16 12.279 -12.688 -2.098 1.00 0.00 C ATOM 236 O GLN A 16 12.850 -13.779 -2.116 1.00 0.00 O ATOM 237 CB GLN A 16 13.511 -10.546 -2.483 1.00 0.00 C ATOM 238 CG GLN A 16 12.745 -9.546 -1.632 1.00 0.00 C ATOM 239 CD GLN A 16 12.677 -8.171 -2.268 1.00 0.00 C ATOM 240 OE1 GLN A 16 12.296 -8.031 -3.430 1.00 0.00 O ATOM 241 NE2 GLN A 16 13.048 -7.148 -1.508 1.00 0.00 N ATOM 0 H GLN A 16 11.417 -9.985 -3.666 1.00 0.00 H new ATOM 0 HA GLN A 16 13.161 -12.082 -3.945 1.00 0.00 H new ATOM 0 HB2 GLN A 16 14.264 -11.035 -1.865 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.043 -10.010 -3.269 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.733 -9.916 -1.466 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.220 -9.467 -0.654 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.357 -7.310 -0.550 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.024 -6.199 -1.882 1.00 0.00 H new ATOM 250 N ARG A 17 11.343 -12.377 -1.205 1.00 0.00 N ATOM 251 CA ARG A 17 10.931 -13.325 -0.179 1.00 0.00 C ATOM 252 C ARG A 17 9.639 -12.884 0.500 1.00 0.00 C ATOM 253 O ARG A 17 9.120 -13.579 1.374 1.00 0.00 O ATOM 254 CB ARG A 17 12.036 -13.497 0.865 1.00 0.00 C ATOM 255 CG ARG A 17 12.332 -14.948 1.203 1.00 0.00 C ATOM 256 CD ARG A 17 11.531 -15.416 2.407 1.00 0.00 C ATOM 257 NE ARG A 17 12.389 -15.759 3.537 1.00 0.00 N ATOM 258 CZ ARG A 17 12.411 -16.959 4.110 1.00 0.00 C ATOM 259 NH1 ARG A 17 11.620 -17.925 3.663 1.00 0.00 N ATOM 260 NH2 ARG A 17 13.224 -17.192 5.131 1.00 0.00 N ATOM 0 H ARG A 17 10.859 -11.480 -1.173 1.00 0.00 H new ATOM 0 HA ARG A 17 10.749 -14.282 -0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.947 -13.025 0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.749 -12.972 1.776 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.100 -15.577 0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 17 13.397 -15.065 1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.835 -14.632 2.706 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.933 -16.284 2.129 1.00 0.00 H new ATOM 0 HE ARG A 17 13.007 -15.037 3.908 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.993 -17.748 2.878 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.639 -18.845 4.104 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.833 -16.451 5.477 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.240 -18.113 5.570 1.00 0.00 H new ATOM 274 N LYS A 18 9.116 -11.733 0.090 1.00 0.00 N ATOM 275 CA LYS A 18 7.884 -11.217 0.659 1.00 0.00 C ATOM 276 C LYS A 18 6.778 -11.206 -0.375 1.00 0.00 C ATOM 277 O LYS A 18 7.025 -11.198 -1.576 1.00 0.00 O ATOM 278 CB LYS A 18 8.067 -9.807 1.202 1.00 0.00 C ATOM 279 CG LYS A 18 8.317 -8.772 0.123 1.00 0.00 C ATOM 280 CD LYS A 18 9.655 -8.086 0.317 1.00 0.00 C ATOM 281 CE LYS A 18 9.483 -6.665 0.829 1.00 0.00 C ATOM 282 NZ LYS A 18 10.748 -6.122 1.396 1.00 0.00 N ATOM 0 H LYS A 18 9.528 -11.143 -0.633 1.00 0.00 H new ATOM 0 HA LYS A 18 7.611 -11.879 1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.178 -9.525 1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.903 -9.801 1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.290 -9.250 -0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.520 -8.029 0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.259 -8.657 1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.198 -8.070 -0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.146 -6.024 0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.705 -6.646 1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.588 -5.151 1.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.057 -6.719 2.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.484 -6.116 0.661 1.00 0.00 H new ATOM 296 N CYS A 19 5.562 -11.190 0.118 1.00 0.00 N ATOM 297 CA CYS A 19 4.389 -11.164 -0.734 1.00 0.00 C ATOM 298 C CYS A 19 3.505 -9.982 -0.367 1.00 0.00 C ATOM 299 O CYS A 19 3.684 -9.364 0.680 1.00 0.00 O ATOM 300 CB CYS A 19 3.608 -12.476 -0.616 1.00 0.00 C ATOM 301 SG CYS A 19 2.410 -12.756 -1.962 1.00 0.00 S ATOM 0 H CYS A 19 5.355 -11.195 1.117 1.00 0.00 H new ATOM 0 HA CYS A 19 4.712 -11.053 -1.769 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.314 -13.306 -0.595 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.077 -12.485 0.336 1.00 0.00 H new ATOM 306 N TYR A 20 2.557 -9.672 -1.235 1.00 0.00 N ATOM 307 CA TYR A 20 1.646 -8.559 -1.009 1.00 0.00 C ATOM 308 C TYR A 20 0.210 -9.043 -1.073 1.00 0.00 C ATOM 309 O TYR A 20 -0.178 -9.736 -2.008 1.00 0.00 O ATOM 310 CB TYR A 20 1.842 -7.468 -2.071 1.00 0.00 C ATOM 311 CG TYR A 20 3.000 -6.521 -1.823 1.00 0.00 C ATOM 312 CD1 TYR A 20 4.016 -6.826 -0.928 1.00 0.00 C ATOM 313 CD2 TYR A 20 3.065 -5.309 -2.499 1.00 0.00 C ATOM 314 CE1 TYR A 20 5.064 -5.949 -0.712 1.00 0.00 C ATOM 315 CE2 TYR A 20 4.106 -4.429 -2.291 1.00 0.00 C ATOM 316 CZ TYR A 20 5.104 -4.752 -1.397 1.00 0.00 C ATOM 317 OH TYR A 20 6.145 -3.878 -1.185 1.00 0.00 O ATOM 0 H TYR A 20 2.397 -10.177 -2.107 1.00 0.00 H new ATOM 0 HA TYR A 20 1.860 -8.146 -0.023 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.988 -7.948 -3.039 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.925 -6.883 -2.141 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.988 -7.763 -0.392 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.285 -5.051 -3.201 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.846 -6.200 -0.011 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.139 -3.491 -2.826 1.00 0.00 H new ATOM 0 HH TYR A 20 6.024 -3.083 -1.745 1.00 0.00 H new ATOM 327 N TYR A 21 -0.581 -8.659 -0.087 1.00 0.00 N ATOM 328 CA TYR A 21 -1.978 -9.039 -0.048 1.00 0.00 C ATOM 329 C TYR A 21 -2.813 -7.892 -0.595 1.00 0.00 C ATOM 330 O TYR A 21 -2.927 -6.834 0.022 1.00 0.00 O ATOM 331 CB TYR A 21 -2.382 -9.379 1.389 1.00 0.00 C ATOM 332 CG TYR A 21 -3.875 -9.462 1.624 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.727 -10.004 0.670 1.00 0.00 C ATOM 334 CD2 TYR A 21 -4.427 -9.000 2.810 1.00 0.00 C ATOM 335 CE1 TYR A 21 -6.086 -10.085 0.892 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.784 -9.076 3.041 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.612 -9.619 2.080 1.00 0.00 C ATOM 338 OH TYR A 21 -7.965 -9.699 2.306 1.00 0.00 O ATOM 0 H TYR A 21 -0.277 -8.083 0.698 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.147 -9.923 -0.662 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.931 -10.333 1.662 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.964 -8.626 2.057 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.318 -10.368 -0.261 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.783 -8.574 3.565 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.735 -10.511 0.141 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.197 -8.712 3.970 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.226 -9.025 2.968 1.00 0.00 H new ATOM 348 N PHE A 22 -3.369 -8.109 -1.778 1.00 0.00 N ATOM 349 CA PHE A 22 -4.167 -7.103 -2.454 1.00 0.00 C ATOM 350 C PHE A 22 -5.657 -7.342 -2.218 1.00 0.00 C ATOM 351 O PHE A 22 -6.176 -8.418 -2.514 1.00 0.00 O ATOM 352 CB PHE A 22 -3.837 -7.142 -3.951 1.00 0.00 C ATOM 353 CG PHE A 22 -2.491 -6.552 -4.309 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.626 -6.095 -3.324 1.00 0.00 C ATOM 355 CD2 PHE A 22 -2.087 -6.463 -5.636 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.393 -5.560 -3.653 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.852 -5.929 -5.969 1.00 0.00 C ATOM 358 CZ PHE A 22 -0.005 -5.476 -4.974 1.00 0.00 C ATOM 0 H PHE A 22 -3.279 -8.985 -2.293 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.930 -6.117 -2.053 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.868 -8.177 -4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.613 -6.604 -4.496 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.919 -6.158 -2.287 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.744 -6.815 -6.418 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.267 -5.208 -2.874 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.551 -5.867 -7.004 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.957 -5.058 -5.230 1.00 0.00 H new ATOM 368 N GLY A 23 -6.339 -6.334 -1.674 1.00 0.00 N ATOM 369 CA GLY A 23 -7.759 -6.465 -1.397 1.00 0.00 C ATOM 370 C GLY A 23 -8.572 -5.273 -1.859 1.00 0.00 C ATOM 371 O GLY A 23 -8.023 -4.289 -2.352 1.00 0.00 O ATOM 0 H GLY A 23 -5.934 -5.433 -1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.136 -7.364 -1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.902 -6.600 -0.325 1.00 0.00 H new ATOM 375 N LYS A 24 -9.889 -5.368 -1.691 1.00 0.00 N ATOM 376 CA LYS A 24 -10.796 -4.299 -2.085 1.00 0.00 C ATOM 377 C LYS A 24 -11.743 -3.941 -0.941 1.00 0.00 C ATOM 378 O LYS A 24 -11.928 -4.723 -0.008 1.00 0.00 O ATOM 379 CB LYS A 24 -11.603 -4.711 -3.316 1.00 0.00 C ATOM 380 CG LYS A 24 -10.806 -4.664 -4.610 1.00 0.00 C ATOM 381 CD LYS A 24 -10.379 -6.054 -5.052 1.00 0.00 C ATOM 382 CE LYS A 24 -11.256 -6.573 -6.180 1.00 0.00 C ATOM 383 NZ LYS A 24 -12.162 -7.663 -5.723 1.00 0.00 N ATOM 0 H LYS A 24 -10.351 -6.180 -1.282 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.197 -3.422 -2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.983 -5.722 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.469 -4.056 -3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.407 -4.201 -5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.924 -4.038 -4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.340 -6.030 -5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.431 -6.738 -4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.850 -5.753 -6.585 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.626 -6.940 -6.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.036 -7.648 -6.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.689 -8.581 -5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.395 -7.523 -4.719 1.00 0.00 H new ATOM 440 N GLN A 28 -10.686 4.127 4.697 1.00 0.00 N ATOM 441 CA GLN A 28 -9.596 5.089 4.564 1.00 0.00 C ATOM 442 C GLN A 28 -8.240 4.425 4.791 1.00 0.00 C ATOM 443 O GLN A 28 -8.150 3.205 4.920 1.00 0.00 O ATOM 444 CB GLN A 28 -9.783 6.241 5.552 1.00 0.00 C ATOM 445 CG GLN A 28 -11.179 6.843 5.528 1.00 0.00 C ATOM 446 CD GLN A 28 -11.387 7.879 6.615 1.00 0.00 C ATOM 447 OE1 GLN A 28 -11.830 8.996 6.348 1.00 0.00 O ATOM 448 NE2 GLN A 28 -11.067 7.513 7.851 1.00 0.00 N ATOM 0 HA GLN A 28 -9.618 5.480 3.547 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.568 5.883 6.559 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.056 7.022 5.329 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.356 7.302 4.555 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.915 6.048 5.644 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.703 6.577 8.028 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.185 8.168 8.624 1.00 0.00 H new ATOM 457 N TRP A 29 -7.190 5.242 4.838 1.00 0.00 N ATOM 458 CA TRP A 29 -5.835 4.740 5.048 1.00 0.00 C ATOM 459 C TRP A 29 -5.712 4.047 6.397 1.00 0.00 C ATOM 460 O TRP A 29 -5.222 2.921 6.486 1.00 0.00 O ATOM 461 CB TRP A 29 -4.824 5.885 4.957 1.00 0.00 C ATOM 462 CG TRP A 29 -3.416 5.464 5.258 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.500 4.975 4.372 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.765 5.493 6.534 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.319 4.699 5.018 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.456 5.010 6.345 1.00 0.00 C ATOM 467 CE3 TRP A 29 -3.160 5.882 7.817 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.542 4.907 7.392 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -2.252 5.778 8.855 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.956 5.295 8.636 1.00 0.00 C ATOM 0 H TRP A 29 -7.252 6.255 4.733 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.622 4.011 4.266 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.861 6.313 3.955 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.116 6.673 5.651 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.678 4.827 3.317 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.477 4.324 4.581 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.157 6.257 7.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.458 4.534 7.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.547 6.074 9.851 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.269 5.228 9.467 1.00 0.00 H new ATOM 481 N VAL A 30 -6.162 4.726 7.442 1.00 0.00 N ATOM 482 CA VAL A 30 -6.108 4.178 8.790 1.00 0.00 C ATOM 483 C VAL A 30 -6.802 2.825 8.848 1.00 0.00 C ATOM 484 O VAL A 30 -6.427 1.954 9.631 1.00 0.00 O ATOM 485 CB VAL A 30 -6.758 5.126 9.816 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.862 6.326 10.077 1.00 0.00 C ATOM 487 CG2 VAL A 30 -8.132 5.572 9.335 1.00 0.00 C ATOM 0 H VAL A 30 -6.569 5.659 7.382 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.055 4.060 9.045 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.884 4.585 10.754 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.338 6.984 10.804 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.903 5.986 10.468 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.702 6.870 9.146 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.576 6.241 10.072 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.032 6.095 8.384 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.772 4.700 9.204 1.00 0.00 H new ATOM 497 N HIS A 31 -7.818 2.657 8.011 1.00 0.00 N ATOM 498 CA HIS A 31 -8.561 1.408 7.963 1.00 0.00 C ATOM 499 C HIS A 31 -7.726 0.311 7.316 1.00 0.00 C ATOM 500 O HIS A 31 -7.850 -0.862 7.668 1.00 0.00 O ATOM 501 CB HIS A 31 -9.872 1.593 7.198 1.00 0.00 C ATOM 502 CG HIS A 31 -11.088 1.509 8.068 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.899 0.394 8.122 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.630 2.406 8.924 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.886 0.610 8.973 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.745 1.824 9.474 1.00 0.00 N ATOM 0 H HIS A 31 -8.145 3.369 7.358 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.792 1.110 8.986 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.858 2.562 6.699 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.939 0.834 6.419 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.255 3.396 9.135 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.674 -0.087 9.217 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.364 2.258 10.158 1.00 0.00 H new ATOM 515 N ALA A 32 -6.871 0.696 6.371 1.00 0.00 N ATOM 516 CA ALA A 32 -6.019 -0.266 5.688 1.00 0.00 C ATOM 517 C ALA A 32 -4.936 -0.786 6.623 1.00 0.00 C ATOM 518 O ALA A 32 -4.723 -1.992 6.731 1.00 0.00 O ATOM 519 CB ALA A 32 -5.393 0.362 4.453 1.00 0.00 C ATOM 0 H ALA A 32 -6.752 1.662 6.065 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.637 -1.108 5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.759 -0.371 3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.179 0.686 3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.791 1.222 4.747 1.00 0.00 H new ATOM 525 N ARG A 33 -4.260 0.132 7.302 1.00 0.00 N ATOM 526 CA ARG A 33 -3.205 -0.237 8.232 1.00 0.00 C ATOM 527 C ARG A 33 -3.747 -1.090 9.372 1.00 0.00 C ATOM 528 O ARG A 33 -3.096 -2.033 9.816 1.00 0.00 O ATOM 529 CB ARG A 33 -2.519 1.012 8.791 1.00 0.00 C ATOM 530 CG ARG A 33 -3.484 2.033 9.369 1.00 0.00 C ATOM 531 CD ARG A 33 -3.483 2.003 10.888 1.00 0.00 C ATOM 532 NE ARG A 33 -4.211 3.135 11.457 1.00 0.00 N ATOM 533 CZ ARG A 33 -3.811 3.800 12.538 1.00 0.00 C ATOM 534 NH1 ARG A 33 -2.696 3.449 13.163 1.00 0.00 N ATOM 535 NH2 ARG A 33 -4.528 4.818 12.994 1.00 0.00 N ATOM 0 H ARG A 33 -4.424 1.136 7.225 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.472 -0.828 7.683 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.814 0.712 9.566 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.939 1.483 7.997 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.210 3.030 9.024 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.490 1.833 9.001 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.933 1.072 11.233 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.455 2.014 11.250 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.073 3.432 11.000 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.141 2.667 12.816 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.393 3.961 13.991 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.387 5.092 12.516 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.221 5.327 13.823 1.00 0.00 H new ATOM 549 N TYR A 34 -4.942 -0.751 9.845 1.00 0.00 N ATOM 550 CA TYR A 34 -5.565 -1.487 10.937 1.00 0.00 C ATOM 551 C TYR A 34 -6.054 -2.857 10.475 1.00 0.00 C ATOM 552 O TYR A 34 -5.943 -3.844 11.201 1.00 0.00 O ATOM 553 CB TYR A 34 -6.731 -0.687 11.520 1.00 0.00 C ATOM 554 CG TYR A 34 -6.619 -0.451 13.009 1.00 0.00 C ATOM 555 CD1 TYR A 34 -6.950 -1.449 13.917 1.00 0.00 C ATOM 556 CD2 TYR A 34 -6.181 0.769 13.507 1.00 0.00 C ATOM 557 CE1 TYR A 34 -6.848 -1.237 15.279 1.00 0.00 C ATOM 558 CE2 TYR A 34 -6.076 0.989 14.868 1.00 0.00 C ATOM 559 CZ TYR A 34 -6.410 -0.017 15.750 1.00 0.00 C ATOM 560 OH TYR A 34 -6.308 0.197 17.105 1.00 0.00 O ATOM 0 H TYR A 34 -5.497 0.028 9.489 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.811 -1.637 11.710 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.790 0.275 11.012 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.662 -1.215 11.313 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.293 -2.406 13.553 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.918 1.559 12.820 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.110 -2.023 15.971 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.734 1.944 15.238 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.984 1.107 17.269 1.00 0.00 H new ATOM 570 N ALA A 35 -6.603 -2.906 9.267 1.00 0.00 N ATOM 571 CA ALA A 35 -7.118 -4.153 8.713 1.00 0.00 C ATOM 572 C ALA A 35 -5.997 -5.142 8.427 1.00 0.00 C ATOM 573 O ALA A 35 -6.149 -6.344 8.647 1.00 0.00 O ATOM 574 CB ALA A 35 -7.919 -3.880 7.450 1.00 0.00 C ATOM 0 H ALA A 35 -6.703 -2.098 8.653 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.775 -4.602 9.458 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.297 -4.820 7.048 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.757 -3.223 7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.279 -3.400 6.710 1.00 0.00 H new ATOM 580 N CYS A 36 -4.873 -4.635 7.938 1.00 0.00 N ATOM 581 CA CYS A 36 -3.733 -5.482 7.627 1.00 0.00 C ATOM 582 C CYS A 36 -2.981 -5.852 8.899 1.00 0.00 C ATOM 583 O CYS A 36 -2.317 -6.888 8.963 1.00 0.00 O ATOM 584 CB CYS A 36 -2.798 -4.776 6.643 1.00 0.00 C ATOM 585 SG CYS A 36 -3.644 -4.072 5.189 1.00 0.00 S ATOM 0 H CYS A 36 -4.728 -3.643 7.749 1.00 0.00 H new ATOM 0 HA CYS A 36 -4.100 -6.398 7.163 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.273 -3.977 7.167 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.043 -5.485 6.303 1.00 0.00 H new ATOM 590 N ASP A 37 -3.095 -5.000 9.913 1.00 0.00 N ATOM 591 CA ASP A 37 -2.432 -5.234 11.190 1.00 0.00 C ATOM 592 C ASP A 37 -3.153 -6.315 11.990 1.00 0.00 C ATOM 593 O ASP A 37 -2.568 -6.939 12.876 1.00 0.00 O ATOM 594 CB ASP A 37 -2.371 -3.940 12.004 1.00 0.00 C ATOM 595 CG ASP A 37 -0.973 -3.355 12.056 1.00 0.00 C ATOM 596 OD1 ASP A 37 -0.117 -3.923 12.766 1.00 0.00 O ATOM 597 OD2 ASP A 37 -0.735 -2.328 11.386 1.00 0.00 O ATOM 0 H ASP A 37 -3.642 -4.140 9.874 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.417 -5.575 10.984 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.052 -3.208 11.570 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.718 -4.136 13.019 1.00 0.00 H new ATOM 602 N ASP A 38 -4.429 -6.521 11.678 1.00 0.00 N ATOM 603 CA ASP A 38 -5.238 -7.515 12.376 1.00 0.00 C ATOM 604 C ASP A 38 -4.631 -8.910 12.263 1.00 0.00 C ATOM 605 O ASP A 38 -4.641 -9.675 13.227 1.00 0.00 O ATOM 606 CB ASP A 38 -6.662 -7.522 11.816 1.00 0.00 C ATOM 607 CG ASP A 38 -7.703 -7.247 12.883 1.00 0.00 C ATOM 608 OD1 ASP A 38 -7.589 -6.211 13.571 1.00 0.00 O ATOM 609 OD2 ASP A 38 -8.632 -8.068 13.032 1.00 0.00 O ATOM 0 H ASP A 38 -4.925 -6.013 10.946 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.263 -7.242 13.431 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.744 -6.771 11.030 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.864 -8.489 11.356 1.00 0.00 H new ATOM 614 N MET A 39 -4.105 -9.235 11.085 1.00 0.00 N ATOM 615 CA MET A 39 -3.498 -10.542 10.853 1.00 0.00 C ATOM 616 C MET A 39 -2.826 -10.617 9.483 1.00 0.00 C ATOM 617 O MET A 39 -1.869 -11.370 9.298 1.00 0.00 O ATOM 618 CB MET A 39 -4.553 -11.644 10.965 1.00 0.00 C ATOM 619 CG MET A 39 -4.456 -12.448 12.249 1.00 0.00 C ATOM 620 SD MET A 39 -5.690 -13.758 12.345 1.00 0.00 S ATOM 621 CE MET A 39 -5.664 -14.120 14.100 1.00 0.00 C ATOM 0 H MET A 39 -4.087 -8.612 10.277 1.00 0.00 H new ATOM 0 HA MET A 39 -2.733 -10.687 11.616 1.00 0.00 H new ATOM 0 HB2 MET A 39 -5.544 -11.195 10.901 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.453 -12.319 10.115 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.461 -12.886 12.324 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.575 -11.779 13.101 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.378 -14.914 14.318 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.664 -14.441 14.390 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.934 -13.225 14.660 1.00 0.00 H new ATOM 631 N GLU A 40 -3.341 -9.847 8.526 1.00 0.00 N ATOM 632 CA GLU A 40 -2.799 -9.836 7.169 1.00 0.00 C ATOM 633 C GLU A 40 -1.273 -9.767 7.174 1.00 0.00 C ATOM 634 O GLU A 40 -0.601 -10.798 7.127 1.00 0.00 O ATOM 635 CB GLU A 40 -3.385 -8.667 6.374 1.00 0.00 C ATOM 636 CG GLU A 40 -4.907 -8.622 6.382 1.00 0.00 C ATOM 637 CD GLU A 40 -5.538 -10.000 6.326 1.00 0.00 C ATOM 638 OE1 GLU A 40 -5.131 -10.807 5.463 1.00 0.00 O ATOM 639 OE2 GLU A 40 -6.440 -10.274 7.145 1.00 0.00 O ATOM 0 H GLU A 40 -4.134 -9.222 8.666 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.085 -10.771 6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.001 -7.732 6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.038 -8.730 5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.246 -8.109 7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.253 -8.035 5.531 1.00 0.00 H new ATOM 646 N GLY A 41 -0.723 -8.555 7.227 1.00 0.00 N ATOM 647 CA GLY A 41 0.723 -8.407 7.232 1.00 0.00 C ATOM 648 C GLY A 41 1.193 -7.068 7.767 1.00 0.00 C ATOM 649 O GLY A 41 1.348 -6.886 8.974 1.00 0.00 O ATOM 0 H GLY A 41 -1.247 -7.681 7.266 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.160 -9.203 7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.097 -8.535 6.216 1.00 0.00 H new ATOM 653 N GLN A 42 1.444 -6.144 6.852 1.00 0.00 N ATOM 654 CA GLN A 42 1.932 -4.817 7.185 1.00 0.00 C ATOM 655 C GLN A 42 1.477 -3.860 6.112 1.00 0.00 C ATOM 656 O GLN A 42 1.120 -4.291 5.022 1.00 0.00 O ATOM 657 CB GLN A 42 3.460 -4.811 7.254 1.00 0.00 C ATOM 658 CG GLN A 42 4.067 -3.415 7.283 1.00 0.00 C ATOM 659 CD GLN A 42 5.581 -3.435 7.232 1.00 0.00 C ATOM 660 OE1 GLN A 42 6.237 -4.011 8.100 1.00 0.00 O ATOM 661 NE2 GLN A 42 6.144 -2.800 6.211 1.00 0.00 N ATOM 0 H GLN A 42 1.314 -6.296 5.852 1.00 0.00 H new ATOM 0 HA GLN A 42 1.540 -4.518 8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.777 -5.354 8.145 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.856 -5.352 6.394 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.687 -2.840 6.439 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.745 -2.902 8.189 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.561 -2.336 5.515 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.160 -2.776 6.123 1.00 0.00 H new ATOM 670 N LEU A 43 1.491 -2.570 6.375 1.00 0.00 N ATOM 671 CA LEU A 43 1.081 -1.668 5.339 1.00 0.00 C ATOM 672 C LEU A 43 2.217 -1.622 4.329 1.00 0.00 C ATOM 673 O LEU A 43 3.327 -1.176 4.620 1.00 0.00 O ATOM 674 CB LEU A 43 0.794 -0.279 5.916 1.00 0.00 C ATOM 675 CG LEU A 43 -0.384 0.475 5.292 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.656 -0.346 5.367 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.579 1.812 5.986 1.00 0.00 C ATOM 0 H LEU A 43 1.770 -2.143 7.259 1.00 0.00 H new ATOM 0 HA LEU A 43 0.159 -2.004 4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.609 -0.382 6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.690 0.331 5.805 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.156 0.652 4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.477 0.213 4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.516 -1.283 4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.891 -0.559 6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.419 2.338 5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.782 1.647 7.044 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.325 2.412 5.880 1.00 0.00 H new ATOM 689 N VAL A 44 1.904 -2.153 3.157 1.00 0.00 N ATOM 690 CA VAL A 44 2.833 -2.285 2.040 1.00 0.00 C ATOM 691 C VAL A 44 3.993 -1.302 2.071 1.00 0.00 C ATOM 692 O VAL A 44 5.136 -1.689 2.313 1.00 0.00 O ATOM 693 CB VAL A 44 2.085 -2.148 0.708 1.00 0.00 C ATOM 694 CG1 VAL A 44 1.854 -3.517 0.100 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.764 -1.421 0.914 1.00 0.00 C ATOM 0 H VAL A 44 0.973 -2.514 2.949 1.00 0.00 H new ATOM 0 HA VAL A 44 3.268 -3.279 2.139 1.00 0.00 H new ATOM 0 HB VAL A 44 2.693 -1.560 0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.322 -3.410 -0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.813 -4.003 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.260 -4.123 0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.245 -1.332 -0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.144 -1.983 1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.955 -0.427 1.318 1.00 0.00 H new ATOM 705 N SER A 45 3.699 -0.047 1.789 1.00 0.00 N ATOM 706 CA SER A 45 4.728 0.988 1.747 1.00 0.00 C ATOM 707 C SER A 45 5.691 0.698 0.603 1.00 0.00 C ATOM 708 O SER A 45 6.906 0.617 0.794 1.00 0.00 O ATOM 709 CB SER A 45 5.489 1.051 3.070 1.00 0.00 C ATOM 710 OG SER A 45 6.196 2.272 3.192 1.00 0.00 O ATOM 0 H SER A 45 2.757 0.286 1.585 1.00 0.00 H new ATOM 0 HA SER A 45 4.249 1.954 1.585 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.791 0.947 3.900 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.186 0.215 3.133 1.00 0.00 H new ATOM 0 HG SER A 45 5.659 2.911 3.705 1.00 0.00 H new ATOM 716 N ILE A 46 5.119 0.520 -0.581 1.00 0.00 N ATOM 717 CA ILE A 46 5.880 0.209 -1.789 1.00 0.00 C ATOM 718 C ILE A 46 7.141 1.058 -1.901 1.00 0.00 C ATOM 719 O ILE A 46 7.111 2.270 -1.687 1.00 0.00 O ATOM 720 CB ILE A 46 5.031 0.399 -3.069 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.713 1.115 -2.752 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.766 -0.944 -3.733 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.634 0.202 -2.204 1.00 0.00 C ATOM 0 H ILE A 46 4.113 0.587 -0.733 1.00 0.00 H new ATOM 0 HA ILE A 46 6.164 -0.840 -1.702 1.00 0.00 H new ATOM 0 HB ILE A 46 5.594 1.024 -3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.906 1.908 -2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.344 1.594 -3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.168 -0.794 -4.632 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.714 -1.410 -4.002 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.226 -1.591 -3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.733 0.782 -2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.411 -0.576 -2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.982 -0.258 -1.279 1.00 0.00 H new ATOM 735 N HIS A 47 8.247 0.405 -2.241 1.00 0.00 N ATOM 736 CA HIS A 47 9.528 1.085 -2.389 1.00 0.00 C ATOM 737 C HIS A 47 10.170 0.740 -3.728 1.00 0.00 C ATOM 738 O HIS A 47 11.276 1.189 -4.031 1.00 0.00 O ATOM 739 CB HIS A 47 10.470 0.702 -1.246 1.00 0.00 C ATOM 740 CG HIS A 47 10.314 -0.715 -0.789 1.00 0.00 C ATOM 741 ND1 HIS A 47 9.832 -1.056 0.458 1.00 0.00 N ATOM 742 CD2 HIS A 47 10.580 -1.884 -1.419 1.00 0.00 C ATOM 743 CE1 HIS A 47 9.810 -2.372 0.575 1.00 0.00 C ATOM 744 NE2 HIS A 47 10.258 -2.897 -0.551 1.00 0.00 N ATOM 0 H HIS A 47 8.282 -0.599 -2.420 1.00 0.00 H new ATOM 0 HA HIS A 47 9.348 2.159 -2.355 1.00 0.00 H new ATOM 0 HB2 HIS A 47 11.500 0.860 -1.567 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.293 1.369 -0.402 1.00 0.00 H new ATOM 0 HD2 HIS A 47 10.973 -1.998 -2.419 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.482 -2.924 1.443 1.00 0.00 H new ATOM 0 HE2 HIS A 47 10.350 -3.894 -0.744 1.00 0.00 H new ATOM 753 N SER A 48 9.468 -0.056 -4.530 1.00 0.00 N ATOM 754 CA SER A 48 9.964 -0.455 -5.837 1.00 0.00 C ATOM 755 C SER A 48 9.005 0.005 -6.923 1.00 0.00 C ATOM 756 O SER A 48 7.827 -0.352 -6.908 1.00 0.00 O ATOM 757 CB SER A 48 10.140 -1.973 -5.900 1.00 0.00 C ATOM 758 OG SER A 48 11.377 -2.366 -5.332 1.00 0.00 O ATOM 0 H SER A 48 8.552 -0.437 -4.294 1.00 0.00 H new ATOM 0 HA SER A 48 10.934 0.015 -5.999 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.322 -2.460 -5.370 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.090 -2.305 -6.937 1.00 0.00 H new ATOM 0 HG SER A 48 11.465 -3.341 -5.383 1.00 0.00 H new ATOM 764 N PRO A 49 9.493 0.806 -7.886 1.00 0.00 N ATOM 765 CA PRO A 49 8.663 1.305 -8.980 1.00 0.00 C ATOM 766 C PRO A 49 7.808 0.199 -9.583 1.00 0.00 C ATOM 767 O PRO A 49 6.700 0.443 -10.061 1.00 0.00 O ATOM 768 CB PRO A 49 9.692 1.816 -9.988 1.00 0.00 C ATOM 769 CG PRO A 49 10.853 2.233 -9.152 1.00 0.00 C ATOM 770 CD PRO A 49 10.887 1.282 -7.985 1.00 0.00 C ATOM 0 HA PRO A 49 7.955 2.069 -8.660 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.973 1.038 -10.698 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.299 2.651 -10.568 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.781 2.185 -9.722 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.740 3.263 -8.813 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.581 0.459 -8.158 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.206 1.781 -7.070 1.00 0.00 H new ATOM 778 N GLU A 50 8.331 -1.024 -9.541 1.00 0.00 N ATOM 779 CA GLU A 50 7.619 -2.179 -10.066 1.00 0.00 C ATOM 780 C GLU A 50 6.476 -2.574 -9.146 1.00 0.00 C ATOM 781 O GLU A 50 5.370 -2.858 -9.601 1.00 0.00 O ATOM 782 CB GLU A 50 8.570 -3.362 -10.235 1.00 0.00 C ATOM 783 CG GLU A 50 7.871 -4.644 -10.642 1.00 0.00 C ATOM 784 CD GLU A 50 8.738 -5.870 -10.442 1.00 0.00 C ATOM 785 OE1 GLU A 50 8.713 -6.441 -9.332 1.00 0.00 O ATOM 786 OE2 GLU A 50 9.444 -6.261 -11.396 1.00 0.00 O ATOM 0 H GLU A 50 9.247 -1.238 -9.147 1.00 0.00 H new ATOM 0 HA GLU A 50 7.210 -1.905 -11.039 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.319 -3.112 -10.986 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.101 -3.528 -9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.954 -4.753 -10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.579 -4.577 -11.690 1.00 0.00 H new ATOM 793 N GLU A 51 6.759 -2.607 -7.849 1.00 0.00 N ATOM 794 CA GLU A 51 5.760 -2.983 -6.861 1.00 0.00 C ATOM 795 C GLU A 51 4.607 -1.985 -6.845 1.00 0.00 C ATOM 796 O GLU A 51 3.441 -2.376 -6.809 1.00 0.00 O ATOM 797 CB GLU A 51 6.400 -3.086 -5.476 1.00 0.00 C ATOM 798 CG GLU A 51 7.452 -4.178 -5.373 1.00 0.00 C ATOM 799 CD GLU A 51 8.108 -4.228 -4.007 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.461 -3.153 -3.478 1.00 0.00 O ATOM 801 OE2 GLU A 51 8.268 -5.342 -3.465 1.00 0.00 O ATOM 0 H GLU A 51 7.673 -2.377 -7.459 1.00 0.00 H new ATOM 0 HA GLU A 51 5.357 -3.958 -7.134 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.856 -2.129 -5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.620 -3.273 -4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.991 -5.143 -5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.216 -4.014 -6.133 1.00 0.00 H new ATOM 808 N GLN A 52 4.936 -0.697 -6.887 1.00 0.00 N ATOM 809 CA GLN A 52 3.916 0.346 -6.891 1.00 0.00 C ATOM 810 C GLN A 52 3.083 0.250 -8.163 1.00 0.00 C ATOM 811 O GLN A 52 1.865 0.396 -8.133 1.00 0.00 O ATOM 812 CB GLN A 52 4.557 1.736 -6.767 1.00 0.00 C ATOM 813 CG GLN A 52 4.943 2.364 -8.100 1.00 0.00 C ATOM 814 CD GLN A 52 3.938 3.393 -8.601 1.00 0.00 C ATOM 815 OE1 GLN A 52 4.256 4.209 -9.465 1.00 0.00 O ATOM 816 NE2 GLN A 52 2.719 3.364 -8.065 1.00 0.00 N ATOM 0 H GLN A 52 5.895 -0.352 -6.919 1.00 0.00 H new ATOM 0 HA GLN A 52 3.263 0.200 -6.030 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.862 2.400 -6.252 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.447 1.659 -6.142 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.919 2.840 -7.999 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.048 1.577 -8.847 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.492 2.672 -7.351 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.012 4.034 -8.369 1.00 0.00 H new ATOM 825 N ASP A 53 3.758 -0.023 -9.273 1.00 0.00 N ATOM 826 CA ASP A 53 3.102 -0.174 -10.560 1.00 0.00 C ATOM 827 C ASP A 53 2.251 -1.434 -10.558 1.00 0.00 C ATOM 828 O ASP A 53 1.197 -1.492 -11.189 1.00 0.00 O ATOM 829 CB ASP A 53 4.137 -0.238 -11.684 1.00 0.00 C ATOM 830 CG ASP A 53 3.531 0.034 -13.046 1.00 0.00 C ATOM 831 OD1 ASP A 53 2.717 0.975 -13.156 1.00 0.00 O ATOM 832 OD2 ASP A 53 3.869 -0.694 -14.003 1.00 0.00 O ATOM 0 H ASP A 53 4.770 -0.145 -9.304 1.00 0.00 H new ATOM 0 HA ASP A 53 2.461 0.690 -10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.926 0.488 -11.489 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.604 -1.223 -11.688 1.00 0.00 H new ATOM 837 N PHE A 54 2.741 -2.450 -9.856 1.00 0.00 N ATOM 838 CA PHE A 54 2.065 -3.731 -9.768 1.00 0.00 C ATOM 839 C PHE A 54 0.676 -3.588 -9.161 1.00 0.00 C ATOM 840 O PHE A 54 -0.311 -4.049 -9.734 1.00 0.00 O ATOM 841 CB PHE A 54 2.901 -4.665 -8.900 1.00 0.00 C ATOM 842 CG PHE A 54 3.388 -5.882 -9.622 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.563 -6.979 -9.783 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.672 -5.928 -10.137 1.00 0.00 C ATOM 845 CE1 PHE A 54 3.006 -8.104 -10.446 1.00 0.00 C ATOM 846 CE2 PHE A 54 5.125 -7.049 -10.802 1.00 0.00 C ATOM 847 CZ PHE A 54 4.290 -8.141 -10.957 1.00 0.00 C ATOM 0 H PHE A 54 3.616 -2.405 -9.334 1.00 0.00 H new ATOM 0 HA PHE A 54 1.952 -4.135 -10.774 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.759 -4.116 -8.512 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.307 -4.976 -8.041 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.559 -6.955 -9.385 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.326 -5.077 -10.017 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.351 -8.954 -10.566 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.129 -7.074 -11.200 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.641 -9.021 -11.476 1.00 0.00 H new ATOM 857 N LEU A 55 0.604 -2.933 -8.012 1.00 0.00 N ATOM 858 CA LEU A 55 -0.670 -2.714 -7.345 1.00 0.00 C ATOM 859 C LEU A 55 -1.462 -1.648 -8.076 1.00 0.00 C ATOM 860 O LEU A 55 -2.689 -1.695 -8.132 1.00 0.00 O ATOM 861 CB LEU A 55 -0.457 -2.302 -5.896 1.00 0.00 C ATOM 862 CG LEU A 55 0.777 -1.449 -5.656 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.394 0.016 -5.611 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.466 -1.877 -4.375 1.00 0.00 C ATOM 0 H LEU A 55 1.411 -2.545 -7.523 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.230 -3.649 -7.358 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.334 -1.752 -5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.386 -3.201 -5.283 1.00 0.00 H new ATOM 0 HG LEU A 55 1.478 -1.591 -6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.285 0.620 -5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.061 0.303 -6.559 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.318 0.181 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.349 -1.259 -4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.781 -1.758 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.764 -2.922 -4.454 1.00 0.00 H new ATOM 876 N THR A 56 -0.740 -0.685 -8.636 1.00 0.00 N ATOM 877 CA THR A 56 -1.354 0.402 -9.374 1.00 0.00 C ATOM 878 C THR A 56 -2.126 -0.163 -10.559 1.00 0.00 C ATOM 879 O THR A 56 -3.246 0.261 -10.848 1.00 0.00 O ATOM 880 CB THR A 56 -0.276 1.387 -9.843 1.00 0.00 C ATOM 881 OG1 THR A 56 -0.410 2.634 -9.184 1.00 0.00 O ATOM 882 CG2 THR A 56 -0.295 1.653 -11.331 1.00 0.00 C ATOM 0 H THR A 56 0.278 -0.639 -8.590 1.00 0.00 H new ATOM 0 HA THR A 56 -2.049 0.939 -8.729 1.00 0.00 H new ATOM 0 HB THR A 56 0.669 0.904 -9.594 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.288 3.246 -9.497 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.496 2.359 -11.585 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.135 0.719 -11.870 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.260 2.073 -11.613 1.00 0.00 H new ATOM 890 N LYS A 57 -1.522 -1.143 -11.220 1.00 0.00 N ATOM 891 CA LYS A 57 -2.148 -1.799 -12.353 1.00 0.00 C ATOM 892 C LYS A 57 -3.253 -2.712 -11.849 1.00 0.00 C ATOM 893 O LYS A 57 -4.298 -2.858 -12.484 1.00 0.00 O ATOM 894 CB LYS A 57 -1.117 -2.604 -13.147 1.00 0.00 C ATOM 895 CG LYS A 57 -1.182 -2.364 -14.647 1.00 0.00 C ATOM 896 CD LYS A 57 -0.539 -1.041 -15.028 1.00 0.00 C ATOM 897 CE LYS A 57 0.958 -1.191 -15.248 1.00 0.00 C ATOM 898 NZ LYS A 57 1.470 -0.232 -16.265 1.00 0.00 N ATOM 0 H LYS A 57 -0.595 -1.500 -10.987 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.570 -1.044 -13.017 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.118 -2.352 -12.790 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.267 -3.666 -12.950 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.679 -3.178 -15.169 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.222 -2.371 -14.973 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.004 -0.657 -15.936 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.721 -0.308 -14.242 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.481 -1.033 -14.305 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.177 -2.210 -15.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.494 -0.367 -16.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.990 -0.399 -17.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.284 0.741 -15.949 1.00 0.00 H new ATOM 912 N HIS A 58 -3.016 -3.310 -10.683 1.00 0.00 N ATOM 913 CA HIS A 58 -3.990 -4.191 -10.065 1.00 0.00 C ATOM 914 C HIS A 58 -5.220 -3.393 -9.656 1.00 0.00 C ATOM 915 O HIS A 58 -6.340 -3.905 -9.662 1.00 0.00 O ATOM 916 CB HIS A 58 -3.385 -4.882 -8.842 1.00 0.00 C ATOM 917 CG HIS A 58 -4.033 -6.191 -8.515 1.00 0.00 C ATOM 918 ND1 HIS A 58 -5.154 -6.299 -7.721 1.00 0.00 N ATOM 919 CD2 HIS A 58 -3.711 -7.454 -8.881 1.00 0.00 C ATOM 920 CE1 HIS A 58 -5.494 -7.570 -7.611 1.00 0.00 C ATOM 921 NE2 HIS A 58 -4.635 -8.292 -8.307 1.00 0.00 N ATOM 0 H HIS A 58 -2.154 -3.196 -10.150 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.280 -4.954 -10.787 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.321 -5.045 -9.016 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.469 -4.219 -7.981 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -5.645 -5.518 -7.286 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -2.882 -7.748 -9.508 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.332 -7.954 -7.048 1.00 0.00 H new ATOM 983 N GLY A 63 -7.991 2.662 -6.122 1.00 0.00 N ATOM 984 CA GLY A 63 -6.614 2.772 -5.670 1.00 0.00 C ATOM 985 C GLY A 63 -6.298 1.854 -4.505 1.00 0.00 C ATOM 986 O GLY A 63 -7.189 1.217 -3.945 1.00 0.00 O ATOM 0 HA2 GLY A 63 -5.946 2.541 -6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.415 3.803 -5.378 1.00 0.00 H new ATOM 990 N SER A 64 -5.023 1.795 -4.140 1.00 0.00 N ATOM 991 CA SER A 64 -4.570 0.954 -3.036 1.00 0.00 C ATOM 992 C SER A 64 -3.978 1.807 -1.922 1.00 0.00 C ATOM 993 O SER A 64 -3.627 2.967 -2.140 1.00 0.00 O ATOM 994 CB SER A 64 -3.535 -0.057 -3.531 1.00 0.00 C ATOM 995 OG SER A 64 -2.327 0.046 -2.797 1.00 0.00 O ATOM 0 H SER A 64 -4.279 2.323 -4.596 1.00 0.00 H new ATOM 0 HA SER A 64 -5.429 0.413 -2.640 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.935 -1.067 -3.438 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.336 0.111 -4.589 1.00 0.00 H new ATOM 0 HG SER A 64 -1.683 -0.612 -3.133 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.854 1.231 -0.730 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.287 1.962 0.397 1.00 0.00 C ATOM 1003 C TRP A 65 -1.907 1.434 0.715 1.00 0.00 C ATOM 1004 O TRP A 65 -1.696 0.225 0.792 1.00 0.00 O ATOM 1005 CB TRP A 65 -4.193 1.870 1.628 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.301 2.877 1.610 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -5.177 4.232 1.720 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.700 2.613 1.467 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.413 4.827 1.655 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.365 3.853 1.498 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.456 1.446 1.316 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.749 3.958 1.382 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.829 1.553 1.200 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.463 2.801 1.234 1.00 0.00 C ATOM 0 H TRP A 65 -4.135 0.273 -0.521 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.209 3.013 0.118 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.619 0.869 1.686 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.593 2.013 2.527 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.242 4.760 1.841 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.593 5.829 1.714 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.976 0.479 1.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.241 4.919 1.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.423 0.659 1.081 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.538 2.851 1.141 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.965 2.348 0.876 1.00 0.00 N ATOM 1026 CA ILE A 66 0.402 1.972 1.159 1.00 0.00 C ATOM 1027 C ILE A 66 0.809 2.344 2.571 1.00 0.00 C ATOM 1028 O ILE A 66 0.124 3.105 3.252 1.00 0.00 O ATOM 1029 CB ILE A 66 1.371 2.611 0.152 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.723 4.036 0.568 1.00 0.00 C ATOM 1031 CG2 ILE A 66 0.757 2.596 -1.241 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.387 4.839 -0.531 1.00 0.00 C ATOM 0 H ILE A 66 -1.125 3.353 0.815 1.00 0.00 H new ATOM 0 HA ILE A 66 0.457 0.887 1.064 1.00 0.00 H new ATOM 0 HB ILE A 66 2.292 2.028 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.815 4.549 0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.386 4.001 1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.450 3.051 -1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.557 1.567 -1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.176 3.160 -1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.609 5.842 -0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.313 4.349 -0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.717 4.906 -1.388 1.00 0.00 H new ATOM 1044 N GLY A 67 1.935 1.793 2.994 1.00 0.00 N ATOM 1045 CA GLY A 67 2.454 2.058 4.316 1.00 0.00 C ATOM 1046 C GLY A 67 3.080 3.423 4.406 1.00 0.00 C ATOM 1047 O GLY A 67 4.264 3.555 4.707 1.00 0.00 O ATOM 0 H GLY A 67 2.505 1.158 2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.648 1.979 5.046 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.194 1.301 4.575 1.00 0.00 H new ATOM 1051 N LEU A 68 2.288 4.441 4.114 1.00 0.00 N ATOM 1052 CA LEU A 68 2.780 5.804 4.134 1.00 0.00 C ATOM 1053 C LEU A 68 1.961 6.736 5.025 1.00 0.00 C ATOM 1054 O LEU A 68 0.745 6.863 4.876 1.00 0.00 O ATOM 1055 CB LEU A 68 2.809 6.353 2.713 1.00 0.00 C ATOM 1056 CG LEU A 68 3.939 7.320 2.436 1.00 0.00 C ATOM 1057 CD1 LEU A 68 3.725 8.595 3.220 1.00 0.00 C ATOM 1058 CD2 LEU A 68 5.267 6.693 2.795 1.00 0.00 C ATOM 0 H LEU A 68 1.304 4.348 3.861 1.00 0.00 H new ATOM 0 HA LEU A 68 3.783 5.769 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.883 5.518 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.862 6.853 2.511 1.00 0.00 H new ATOM 0 HG LEU A 68 3.950 7.559 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.541 9.288 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.780 9.050 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.699 8.367 4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.071 7.400 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.273 6.434 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.417 5.792 2.200 1.00 0.00 H new ATOM 1070 N ARG A 69 2.669 7.417 5.922 1.00 0.00 N ATOM 1071 CA ARG A 69 2.078 8.392 6.831 1.00 0.00 C ATOM 1072 C ARG A 69 3.021 9.591 6.971 1.00 0.00 C ATOM 1073 O ARG A 69 4.173 9.429 7.373 1.00 0.00 O ATOM 1074 CB ARG A 69 1.801 7.750 8.195 1.00 0.00 C ATOM 1075 CG ARG A 69 1.983 8.693 9.375 1.00 0.00 C ATOM 1076 CD ARG A 69 2.044 7.935 10.691 1.00 0.00 C ATOM 1077 NE ARG A 69 1.564 8.741 11.810 1.00 0.00 N ATOM 1078 CZ ARG A 69 1.914 8.531 13.074 1.00 0.00 C ATOM 1079 NH1 ARG A 69 2.745 7.544 13.381 1.00 0.00 N ATOM 1080 NH2 ARG A 69 1.436 9.311 14.034 1.00 0.00 N ATOM 0 H ARG A 69 3.676 7.306 6.039 1.00 0.00 H new ATOM 0 HA ARG A 69 1.127 8.737 6.426 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.780 7.367 8.204 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.463 6.894 8.323 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.899 9.269 9.243 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.159 9.406 9.403 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.445 7.028 10.615 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.071 7.624 10.883 1.00 0.00 H new ATOM 0 HE ARG A 69 0.923 9.509 11.610 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.117 6.943 12.645 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.012 7.386 14.353 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.799 10.073 13.802 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.705 9.149 15.004 1.00 0.00 H new ATOM 1094 N ASN A 70 2.549 10.790 6.640 1.00 0.00 N ATOM 1095 CA ASN A 70 3.391 11.981 6.738 1.00 0.00 C ATOM 1096 C ASN A 70 3.277 12.629 8.115 1.00 0.00 C ATOM 1097 O ASN A 70 2.300 12.418 8.833 1.00 0.00 O ATOM 1098 CB ASN A 70 3.035 12.983 5.634 1.00 0.00 C ATOM 1099 CG ASN A 70 3.339 14.418 6.022 1.00 0.00 C ATOM 1100 OD1 ASN A 70 4.461 14.893 5.854 1.00 0.00 O ATOM 1101 ND2 ASN A 70 2.337 15.114 6.544 1.00 0.00 N ATOM 0 H ASN A 70 1.601 10.963 6.306 1.00 0.00 H new ATOM 0 HA ASN A 70 4.427 11.672 6.603 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.588 12.731 4.729 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.975 12.893 5.396 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.481 16.084 6.824 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.422 14.679 6.665 1.00 0.00 H new ATOM 1202 N PHE A 77 7.122 12.784 4.347 1.00 0.00 N ATOM 1203 CA PHE A 77 6.368 11.584 4.638 1.00 0.00 C ATOM 1204 C PHE A 77 7.254 10.490 5.211 1.00 0.00 C ATOM 1205 O PHE A 77 8.453 10.426 4.940 1.00 0.00 O ATOM 1206 CB PHE A 77 5.573 11.118 3.400 1.00 0.00 C ATOM 1207 CG PHE A 77 6.278 10.230 2.391 1.00 0.00 C ATOM 1208 CD1 PHE A 77 7.072 9.157 2.772 1.00 0.00 C ATOM 1209 CD2 PHE A 77 6.104 10.465 1.036 1.00 0.00 C ATOM 1210 CE1 PHE A 77 7.677 8.348 1.827 1.00 0.00 C ATOM 1211 CE2 PHE A 77 6.709 9.659 0.089 1.00 0.00 C ATOM 1212 CZ PHE A 77 7.495 8.600 0.485 1.00 0.00 C ATOM 0 HA PHE A 77 5.639 11.822 5.413 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.689 10.586 3.752 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.222 12.007 2.875 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.220 8.951 3.822 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.486 11.291 0.715 1.00 0.00 H new ATOM 0 HE1 PHE A 77 8.293 7.518 2.142 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.565 9.860 -0.962 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.967 7.969 -0.254 1.00 0.00 H new ATOM 1222 N ILE A 78 6.641 9.638 6.015 1.00 0.00 N ATOM 1223 CA ILE A 78 7.334 8.532 6.651 1.00 0.00 C ATOM 1224 C ILE A 78 6.516 7.255 6.517 1.00 0.00 C ATOM 1225 O ILE A 78 5.294 7.280 6.627 1.00 0.00 O ATOM 1226 CB ILE A 78 7.607 8.828 8.142 1.00 0.00 C ATOM 1227 CG1 ILE A 78 8.984 9.496 8.291 1.00 0.00 C ATOM 1228 CG2 ILE A 78 7.500 7.555 8.977 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.937 8.784 9.233 1.00 0.00 C ATOM 0 H ILE A 78 5.649 9.694 6.245 1.00 0.00 H new ATOM 0 HA ILE A 78 8.292 8.401 6.148 1.00 0.00 H new ATOM 0 HB ILE A 78 6.851 9.518 8.517 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.449 9.562 7.307 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.841 10.517 8.645 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.696 7.789 10.023 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.497 7.139 8.880 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.230 6.826 8.625 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.881 9.327 9.274 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.499 8.741 10.230 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.116 7.771 8.872 1.00 0.00 H new ATOM 1241 N TRP A 79 7.191 6.142 6.278 1.00 0.00 N ATOM 1242 CA TRP A 79 6.507 4.867 6.125 1.00 0.00 C ATOM 1243 C TRP A 79 6.046 4.356 7.483 1.00 0.00 C ATOM 1244 O TRP A 79 6.665 4.649 8.504 1.00 0.00 O ATOM 1245 CB TRP A 79 7.427 3.822 5.474 1.00 0.00 C ATOM 1246 CG TRP A 79 8.199 4.313 4.277 1.00 0.00 C ATOM 1247 CD1 TRP A 79 8.094 5.527 3.659 1.00 0.00 C ATOM 1248 CD2 TRP A 79 9.198 3.584 3.552 1.00 0.00 C ATOM 1249 NE1 TRP A 79 8.970 5.601 2.602 1.00 0.00 N ATOM 1250 CE2 TRP A 79 9.656 4.420 2.514 1.00 0.00 C ATOM 1251 CE3 TRP A 79 9.751 2.307 3.681 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 10.639 4.017 1.614 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 10.726 1.909 2.786 1.00 0.00 C ATOM 1254 CH2 TRP A 79 11.162 2.762 1.765 1.00 0.00 C ATOM 0 H TRP A 79 8.206 6.095 6.186 1.00 0.00 H new ATOM 0 HA TRP A 79 5.644 5.024 5.478 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.134 3.466 6.223 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.824 2.966 5.172 1.00 0.00 H new ATOM 0 HD1 TRP A 79 7.419 6.316 3.958 1.00 0.00 H new ATOM 0 HE1 TRP A 79 9.089 6.404 1.985 1.00 0.00 H new ATOM 0 HE3 TRP A 79 9.422 1.643 4.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 10.977 4.672 0.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 11.159 0.924 2.876 1.00 0.00 H new ATOM 0 HH2 TRP A 79 11.927 2.422 1.083 1.00 0.00 H new ATOM 1265 N VAL A 80 4.962 3.587 7.491 1.00 0.00 N ATOM 1266 CA VAL A 80 4.437 3.030 8.733 1.00 0.00 C ATOM 1267 C VAL A 80 5.495 2.154 9.395 1.00 0.00 C ATOM 1268 O VAL A 80 5.464 1.918 10.604 1.00 0.00 O ATOM 1269 CB VAL A 80 3.159 2.199 8.482 1.00 0.00 C ATOM 1270 CG1 VAL A 80 3.340 1.311 7.268 1.00 0.00 C ATOM 1271 CG2 VAL A 80 2.788 1.375 9.707 1.00 0.00 C ATOM 0 H VAL A 80 4.432 3.336 6.656 1.00 0.00 H new ATOM 0 HA VAL A 80 4.180 3.860 9.391 1.00 0.00 H new ATOM 0 HB VAL A 80 2.337 2.888 8.288 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.432 0.731 7.103 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.541 1.928 6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.178 0.634 7.434 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.885 0.801 9.500 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.604 0.693 9.948 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.609 2.040 10.552 1.00 0.00 H new ATOM 1281 N ASP A 81 6.441 1.690 8.586 1.00 0.00 N ATOM 1282 CA ASP A 81 7.527 0.849 9.074 1.00 0.00 C ATOM 1283 C ASP A 81 8.578 1.692 9.788 1.00 0.00 C ATOM 1284 O ASP A 81 9.487 1.164 10.427 1.00 0.00 O ATOM 1285 CB ASP A 81 8.169 0.091 7.911 1.00 0.00 C ATOM 1286 CG ASP A 81 8.928 -1.138 8.370 1.00 0.00 C ATOM 1287 OD1 ASP A 81 8.282 -2.081 8.875 1.00 0.00 O ATOM 1288 OD2 ASP A 81 10.169 -1.158 8.225 1.00 0.00 O ATOM 0 H ASP A 81 6.477 1.883 7.585 1.00 0.00 H new ATOM 0 HA ASP A 81 7.115 0.131 9.783 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.395 -0.207 7.204 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.849 0.756 7.378 1.00 0.00 H new ATOM 1293 N GLY A 82 8.434 3.009 9.679 1.00 0.00 N ATOM 1294 CA GLY A 82 9.360 3.919 10.319 1.00 0.00 C ATOM 1295 C GLY A 82 10.522 4.318 9.426 1.00 0.00 C ATOM 1296 O GLY A 82 11.662 4.388 9.884 1.00 0.00 O ATOM 0 H GLY A 82 7.686 3.463 9.154 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.823 4.816 10.628 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.749 3.453 11.224 1.00 0.00 H new ATOM 1300 N SER A 83 10.240 4.583 8.152 1.00 0.00 N ATOM 1301 CA SER A 83 11.289 4.978 7.212 1.00 0.00 C ATOM 1302 C SER A 83 10.896 6.227 6.424 1.00 0.00 C ATOM 1303 O SER A 83 9.869 6.249 5.758 1.00 0.00 O ATOM 1304 CB SER A 83 11.596 3.831 6.249 1.00 0.00 C ATOM 1305 OG SER A 83 11.839 2.624 6.952 1.00 0.00 O ATOM 0 H SER A 83 9.304 4.532 7.749 1.00 0.00 H new ATOM 0 HA SER A 83 12.181 5.212 7.792 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.760 3.694 5.564 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.466 4.084 5.643 1.00 0.00 H new ATOM 0 HG SER A 83 12.031 1.906 6.313 1.00 0.00 H new ATOM 1311 N HIS A 84 11.726 7.265 6.498 1.00 0.00 N ATOM 1312 CA HIS A 84 11.459 8.510 5.784 1.00 0.00 C ATOM 1313 C HIS A 84 11.476 8.285 4.273 1.00 0.00 C ATOM 1314 O HIS A 84 11.952 7.254 3.798 1.00 0.00 O ATOM 1315 CB HIS A 84 12.491 9.570 6.166 1.00 0.00 C ATOM 1316 CG HIS A 84 13.888 9.041 6.270 1.00 0.00 C ATOM 1317 ND1 HIS A 84 14.576 8.520 5.194 1.00 0.00 N ATOM 1318 CD2 HIS A 84 14.728 8.954 7.328 1.00 0.00 C ATOM 1319 CE1 HIS A 84 15.777 8.134 5.587 1.00 0.00 C ATOM 1320 NE2 HIS A 84 15.895 8.388 6.878 1.00 0.00 N ATOM 0 H HIS A 84 12.587 7.268 7.044 1.00 0.00 H new ATOM 0 HA HIS A 84 10.467 8.860 6.069 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.469 10.369 5.425 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.208 10.013 7.121 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.519 9.271 8.339 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.534 7.687 4.959 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.719 8.195 7.448 1.00 0.00 H new ATOM 1329 N VAL A 85 10.946 9.253 3.527 1.00 0.00 N ATOM 1330 CA VAL A 85 10.892 9.162 2.070 1.00 0.00 C ATOM 1331 C VAL A 85 12.227 8.711 1.479 1.00 0.00 C ATOM 1332 O VAL A 85 13.285 9.227 1.841 1.00 0.00 O ATOM 1333 CB VAL A 85 10.497 10.506 1.419 1.00 0.00 C ATOM 1334 CG1 VAL A 85 10.201 10.306 -0.055 1.00 0.00 C ATOM 1335 CG2 VAL A 85 9.296 11.121 2.117 1.00 0.00 C ATOM 0 H VAL A 85 10.547 10.111 3.909 1.00 0.00 H new ATOM 0 HA VAL A 85 10.127 8.418 1.849 1.00 0.00 H new ATOM 0 HB VAL A 85 11.337 11.193 1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 85 9.924 11.260 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.087 9.915 -0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.379 9.599 -0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.041 12.066 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.448 10.439 2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.536 11.299 3.165 1.00 0.00 H new ATOM 1345 N ASP A 86 12.160 7.753 0.560 1.00 0.00 N ATOM 1346 CA ASP A 86 13.353 7.231 -0.102 1.00 0.00 C ATOM 1347 C ASP A 86 13.290 7.516 -1.600 1.00 0.00 C ATOM 1348 O ASP A 86 13.833 8.514 -2.074 1.00 0.00 O ATOM 1349 CB ASP A 86 13.485 5.727 0.144 1.00 0.00 C ATOM 1350 CG ASP A 86 14.187 5.414 1.450 1.00 0.00 C ATOM 1351 OD1 ASP A 86 15.430 5.539 1.501 1.00 0.00 O ATOM 1352 OD2 ASP A 86 13.497 5.044 2.422 1.00 0.00 O ATOM 0 H ASP A 86 11.288 7.320 0.255 1.00 0.00 H new ATOM 0 HA ASP A 86 14.228 7.729 0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.493 5.274 0.150 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.037 5.274 -0.680 1.00 0.00 H new ATOM 1357 N TYR A 87 12.608 6.643 -2.337 1.00 0.00 N ATOM 1358 CA TYR A 87 12.456 6.815 -3.777 1.00 0.00 C ATOM 1359 C TYR A 87 11.226 7.664 -4.070 1.00 0.00 C ATOM 1360 O TYR A 87 11.236 8.510 -4.964 1.00 0.00 O ATOM 1361 CB TYR A 87 12.328 5.457 -4.474 1.00 0.00 C ATOM 1362 CG TYR A 87 12.323 5.549 -5.983 1.00 0.00 C ATOM 1363 CD1 TYR A 87 13.510 5.675 -6.694 1.00 0.00 C ATOM 1364 CD2 TYR A 87 11.131 5.512 -6.696 1.00 0.00 C ATOM 1365 CE1 TYR A 87 13.510 5.761 -8.073 1.00 0.00 C ATOM 1366 CE2 TYR A 87 11.123 5.597 -8.075 1.00 0.00 C ATOM 1367 CZ TYR A 87 12.314 5.721 -8.758 1.00 0.00 C ATOM 1368 OH TYR A 87 12.310 5.806 -10.132 1.00 0.00 O ATOM 0 H TYR A 87 12.153 5.811 -1.961 1.00 0.00 H new ATOM 0 HA TYR A 87 13.343 7.319 -4.160 1.00 0.00 H new ATOM 0 HB2 TYR A 87 13.153 4.818 -4.160 1.00 0.00 H new ATOM 0 HB3 TYR A 87 11.408 4.974 -4.145 1.00 0.00 H new ATOM 0 HD1 TYR A 87 14.448 5.706 -6.160 1.00 0.00 H new ATOM 0 HD2 TYR A 87 10.196 5.415 -6.164 1.00 0.00 H new ATOM 0 HE1 TYR A 87 14.441 5.859 -8.611 1.00 0.00 H new ATOM 0 HE2 TYR A 87 10.188 5.566 -8.615 1.00 0.00 H new ATOM 0 HH TYR A 87 11.388 5.762 -10.460 1.00 0.00 H new ATOM 1378 N SER A 88 10.173 7.428 -3.291 1.00 0.00 N ATOM 1379 CA SER A 88 8.913 8.155 -3.424 1.00 0.00 C ATOM 1380 C SER A 88 8.369 8.104 -4.844 1.00 0.00 C ATOM 1381 O SER A 88 9.035 7.647 -5.773 1.00 0.00 O ATOM 1382 CB SER A 88 9.072 9.616 -3.002 1.00 0.00 C ATOM 1383 OG SER A 88 10.436 9.993 -2.940 1.00 0.00 O ATOM 0 H SER A 88 10.169 6.727 -2.550 1.00 0.00 H new ATOM 0 HA SER A 88 8.202 7.660 -2.763 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.547 10.259 -3.709 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.607 9.767 -2.028 1.00 0.00 H new ATOM 0 HG SER A 88 10.504 10.932 -2.669 1.00 0.00 H new ATOM 1389 N ASN A 89 7.147 8.588 -4.992 1.00 0.00 N ATOM 1390 CA ASN A 89 6.486 8.624 -6.286 1.00 0.00 C ATOM 1391 C ASN A 89 5.775 9.964 -6.486 1.00 0.00 C ATOM 1392 O ASN A 89 5.736 10.482 -7.602 1.00 0.00 O ATOM 1393 CB ASN A 89 5.524 7.437 -6.410 1.00 0.00 C ATOM 1394 CG ASN A 89 6.247 6.179 -6.842 1.00 0.00 C ATOM 1395 OD1 ASN A 89 7.406 6.225 -7.253 1.00 0.00 O ATOM 1396 ND2 ASN A 89 5.569 5.046 -6.755 1.00 0.00 N ATOM 0 H ASN A 89 6.589 8.964 -4.225 1.00 0.00 H new ATOM 0 HA ASN A 89 7.230 8.535 -7.078 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.032 7.265 -5.453 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.742 7.675 -7.132 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.006 4.168 -7.034 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.610 5.051 -6.409 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.011 11.076 4.573 1.00 0.00 N ATOM 1599 CA CYS A 104 -0.999 9.696 4.093 1.00 0.00 C ATOM 1600 C CYS A 104 -0.883 9.679 2.574 1.00 0.00 C ATOM 1601 O CYS A 104 -1.362 10.588 1.896 1.00 0.00 O ATOM 1602 CB CYS A 104 -2.264 8.945 4.527 1.00 0.00 C ATOM 1603 SG CYS A 104 -2.480 8.816 6.331 1.00 0.00 S ATOM 0 HA CYS A 104 -0.138 9.191 4.532 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -3.134 9.448 4.104 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -2.239 7.941 4.103 1.00 0.00 H new ATOM 0 HG CYS A 104 -2.523 7.563 6.674 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.243 8.654 2.035 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.076 8.554 0.595 1.00 0.00 C ATOM 1610 C VAL A 105 -0.987 7.493 0.000 1.00 0.00 C ATOM 1611 O VAL A 105 -1.080 6.374 0.505 1.00 0.00 O ATOM 1612 CB VAL A 105 1.382 8.249 0.214 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.490 7.872 -1.254 1.00 0.00 C ATOM 1614 CG2 VAL A 105 2.263 9.449 0.512 1.00 0.00 C ATOM 0 H VAL A 105 0.166 7.886 2.567 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.350 9.525 0.182 1.00 0.00 H new ATOM 0 HB VAL A 105 1.721 7.402 0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.531 7.661 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.884 6.987 -1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.132 8.698 -1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.293 9.221 0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.916 10.307 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.213 9.682 1.576 1.00 0.00 H new ATOM 1624 N MET A 106 -1.650 7.861 -1.085 1.00 0.00 N ATOM 1625 CA MET A 106 -2.555 6.966 -1.780 1.00 0.00 C ATOM 1626 C MET A 106 -2.066 6.734 -3.201 1.00 0.00 C ATOM 1627 O MET A 106 -1.186 7.442 -3.685 1.00 0.00 O ATOM 1628 CB MET A 106 -3.972 7.543 -1.795 1.00 0.00 C ATOM 1629 CG MET A 106 -4.113 8.791 -2.652 1.00 0.00 C ATOM 1630 SD MET A 106 -5.673 8.837 -3.557 1.00 0.00 S ATOM 1631 CE MET A 106 -5.112 9.370 -5.173 1.00 0.00 C ATOM 0 H MET A 106 -1.575 8.787 -1.506 1.00 0.00 H new ATOM 0 HA MET A 106 -2.577 6.012 -1.253 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.661 6.782 -2.161 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.270 7.779 -0.773 1.00 0.00 H new ATOM 0 HG2 MET A 106 -4.039 9.674 -2.017 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.285 8.837 -3.359 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.483 10.375 -5.374 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.022 9.374 -5.197 1.00 0.00 H new ATOM 0 HE3 MET A 106 -5.489 8.686 -5.933 1.00 0.00 H new ATOM 1641 N MET A 107 -2.634 5.744 -3.864 1.00 0.00 N ATOM 1642 CA MET A 107 -2.246 5.428 -5.230 1.00 0.00 C ATOM 1643 C MET A 107 -3.468 5.449 -6.142 1.00 0.00 C ATOM 1644 O MET A 107 -4.486 4.829 -5.837 1.00 0.00 O ATOM 1645 CB MET A 107 -1.566 4.053 -5.272 1.00 0.00 C ATOM 1646 CG MET A 107 -1.730 3.315 -6.589 1.00 0.00 C ATOM 1647 SD MET A 107 -3.239 2.330 -6.662 1.00 0.00 S ATOM 1648 CE MET A 107 -3.871 2.802 -8.269 1.00 0.00 C ATOM 0 H MET A 107 -3.365 5.144 -3.481 1.00 0.00 H new ATOM 0 HA MET A 107 -1.540 6.179 -5.584 1.00 0.00 H new ATOM 0 HB2 MET A 107 -0.502 4.180 -5.070 1.00 0.00 H new ATOM 0 HB3 MET A 107 -1.971 3.436 -4.470 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.734 4.037 -7.406 1.00 0.00 H new ATOM 0 HG3 MET A 107 -0.870 2.664 -6.744 1.00 0.00 H new ATOM 0 HE1 MET A 107 -4.465 1.986 -8.680 1.00 0.00 H new ATOM 0 HE2 MET A 107 -4.495 3.690 -8.168 1.00 0.00 H new ATOM 0 HE3 MET A 107 -3.038 3.018 -8.938 1.00 0.00 H new ATOM 1707 N ARG A 112 -0.076 6.039 -10.173 1.00 0.00 N ATOM 1708 CA ARG A 112 1.065 6.367 -9.332 1.00 0.00 C ATOM 1709 C ARG A 112 0.634 6.671 -7.899 1.00 0.00 C ATOM 1710 O ARG A 112 -0.355 6.129 -7.406 1.00 0.00 O ATOM 1711 CB ARG A 112 1.817 7.563 -9.919 1.00 0.00 C ATOM 1712 CG ARG A 112 0.925 8.512 -10.703 1.00 0.00 C ATOM 1713 CD ARG A 112 -0.006 9.292 -9.787 1.00 0.00 C ATOM 1714 NE ARG A 112 -0.729 10.339 -10.503 1.00 0.00 N ATOM 1715 CZ ARG A 112 -1.868 10.875 -10.074 1.00 0.00 C ATOM 1716 NH1 ARG A 112 -2.413 10.463 -8.937 1.00 0.00 N ATOM 1717 NH2 ARG A 112 -2.463 11.824 -10.784 1.00 0.00 N ATOM 0 HA ARG A 112 1.725 5.500 -9.305 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.298 8.113 -9.110 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.610 7.199 -10.572 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.543 9.207 -11.271 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.336 7.946 -11.425 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.720 8.608 -9.328 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.572 9.739 -8.978 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.338 10.679 -11.382 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.958 9.733 -8.389 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.287 10.876 -8.611 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.047 12.143 -11.659 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.337 12.235 -10.455 1.00 0.00 H new ATOM 1731 N TRP A 113 1.397 7.534 -7.240 1.00 0.00 N ATOM 1732 CA TRP A 113 1.136 7.923 -5.863 1.00 0.00 C ATOM 1733 C TRP A 113 0.600 9.334 -5.760 1.00 0.00 C ATOM 1734 O TRP A 113 0.797 10.167 -6.644 1.00 0.00 O ATOM 1735 CB TRP A 113 2.416 7.913 -5.039 1.00 0.00 C ATOM 1736 CG TRP A 113 2.955 6.571 -4.707 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.741 5.402 -5.365 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.836 6.279 -3.626 1.00 0.00 C ATOM 1739 NE1 TRP A 113 3.449 4.396 -4.761 1.00 0.00 N ATOM 1740 CE2 TRP A 113 4.124 4.908 -3.681 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.406 7.056 -2.615 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 4.965 4.286 -2.759 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 5.241 6.443 -1.699 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.514 5.069 -1.776 1.00 0.00 C ATOM 0 H TRP A 113 2.216 7.984 -7.648 1.00 0.00 H new ATOM 0 HA TRP A 113 0.407 7.202 -5.494 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.181 8.468 -5.582 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.232 8.451 -4.109 1.00 0.00 H new ATOM 0 HD1 TRP A 113 2.109 5.283 -6.233 1.00 0.00 H new ATOM 0 HE1 TRP A 113 3.471 3.423 -5.065 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.199 8.114 -2.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.176 3.228 -2.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.690 7.031 -0.912 1.00 0.00 H new ATOM 0 HH2 TRP A 113 6.170 4.619 -1.046 1.00 0.00 H new ATOM 1755 N ASN A 114 -0.009 9.598 -4.624 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.511 10.915 -4.305 1.00 0.00 C ATOM 1757 C ASN A 114 -0.271 11.169 -2.824 1.00 0.00 C ATOM 1758 O ASN A 114 -0.739 10.417 -1.971 1.00 0.00 O ATOM 1759 CB ASN A 114 -2.002 11.022 -4.629 1.00 0.00 C ATOM 1760 CG ASN A 114 -2.258 11.719 -5.951 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -1.345 11.912 -6.753 1.00 0.00 O ATOM 1762 ND2 ASN A 114 -3.509 12.099 -6.185 1.00 0.00 N ATOM 0 H ASN A 114 -0.170 8.903 -3.895 1.00 0.00 H new ATOM 0 HA ASN A 114 0.009 11.662 -4.904 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -2.437 10.023 -4.658 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -2.506 11.567 -3.831 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -3.744 12.571 -7.058 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -4.235 11.919 -5.492 1.00 0.00 H new ATOM 1769 N ASP A 115 0.470 12.222 -2.527 1.00 0.00 N ATOM 1770 CA ASP A 115 0.786 12.565 -1.150 1.00 0.00 C ATOM 1771 C ASP A 115 -0.123 13.682 -0.647 1.00 0.00 C ATOM 1772 O ASP A 115 0.074 14.853 -0.974 1.00 0.00 O ATOM 1773 CB ASP A 115 2.257 12.978 -1.041 1.00 0.00 C ATOM 1774 CG ASP A 115 2.809 12.793 0.359 1.00 0.00 C ATOM 1775 OD1 ASP A 115 2.007 12.570 1.290 1.00 0.00 O ATOM 1776 OD2 ASP A 115 4.044 12.872 0.525 1.00 0.00 O ATOM 0 H ASP A 115 0.865 12.856 -3.222 1.00 0.00 H new ATOM 0 HA ASP A 115 0.618 11.688 -0.525 1.00 0.00 H new ATOM 0 HB2 ASP A 115 2.849 12.390 -1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.361 14.023 -1.334 1.00 0.00 H new ATOM 1781 N ALA A 116 -1.124 13.310 0.148 1.00 0.00 N ATOM 1782 CA ALA A 116 -2.069 14.270 0.696 1.00 0.00 C ATOM 1783 C ALA A 116 -2.720 13.729 1.963 1.00 0.00 C ATOM 1784 O ALA A 116 -2.691 12.528 2.217 1.00 0.00 O ATOM 1785 CB ALA A 116 -3.129 14.620 -0.339 1.00 0.00 C ATOM 0 H ALA A 116 -1.299 12.344 0.426 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.522 15.176 0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.829 15.339 0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.651 15.054 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.667 13.717 -0.628 1.00 0.00 H new ATOM 1879 N LEU A 122 -10.271 5.897 -1.564 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.823 4.891 -2.520 1.00 0.00 C ATOM 1881 C LEU A 122 -10.841 3.756 -2.610 1.00 0.00 C ATOM 1882 O LEU A 122 -12.043 3.988 -2.476 1.00 0.00 O ATOM 1883 CB LEU A 122 -8.450 4.348 -2.120 1.00 0.00 C ATOM 1884 CG LEU A 122 -7.283 5.305 -2.369 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -7.034 6.172 -1.146 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -6.028 4.533 -2.736 1.00 0.00 C ATOM 0 HA LEU A 122 -9.736 5.358 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.471 4.091 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -8.267 3.424 -2.668 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.545 5.954 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.200 6.846 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.928 6.755 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.795 5.537 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -5.209 5.231 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.764 3.859 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -6.209 3.954 -3.642 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.366 2.534 -2.840 1.00 0.00 N ATOM 1899 CA GLY A 123 -11.277 1.410 -2.940 1.00 0.00 C ATOM 1900 C GLY A 123 -10.586 0.062 -2.851 1.00 0.00 C ATOM 1901 O GLY A 123 -11.186 -0.963 -3.174 1.00 0.00 O ATOM 0 H GLY A 123 -9.379 2.305 -2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.019 1.482 -2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.816 1.472 -3.886 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.330 0.052 -2.412 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.592 -1.199 -2.290 1.00 0.00 C ATOM 1907 C ALA A 124 -7.568 -1.129 -1.170 1.00 0.00 C ATOM 1908 O ALA A 124 -6.822 -0.158 -1.056 1.00 0.00 O ATOM 1909 CB ALA A 124 -7.919 -1.552 -3.606 1.00 0.00 C ATOM 0 H ALA A 124 -8.809 0.885 -2.138 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.306 -1.985 -2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.373 -2.489 -3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.675 -1.662 -4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.226 -0.758 -3.884 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.527 -2.176 -0.351 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.581 -2.232 0.751 1.00 0.00 C ATOM 1917 C TRP A 125 -5.463 -3.209 0.434 1.00 0.00 C ATOM 1918 O TRP A 125 -5.694 -4.404 0.245 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.273 -2.601 2.072 1.00 0.00 C ATOM 1920 CG TRP A 125 -8.073 -3.870 2.034 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -9.019 -4.225 1.116 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -8.013 -4.945 2.980 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -9.541 -5.457 1.425 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -8.941 -5.919 2.566 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -7.259 -5.180 4.134 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -9.135 -7.107 3.266 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -7.454 -6.359 4.827 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -8.386 -7.310 4.391 1.00 0.00 C ATOM 0 H TRP A 125 -8.135 -2.991 -0.431 1.00 0.00 H new ATOM 0 HA TRP A 125 -6.152 -1.238 0.877 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -6.515 -2.690 2.850 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -7.932 -1.782 2.361 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -9.314 -3.624 0.269 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -10.259 -5.948 0.892 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -6.538 -4.453 4.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -9.852 -7.842 2.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -6.878 -6.551 5.720 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -8.515 -8.222 4.955 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.249 -2.682 0.358 1.00 0.00 N ATOM 1940 CA VAL A 126 -3.084 -3.483 0.042 1.00 0.00 C ATOM 1941 C VAL A 126 -2.153 -3.581 1.252 1.00 0.00 C ATOM 1942 O VAL A 126 -1.905 -2.595 1.945 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.333 -2.882 -1.166 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -0.892 -3.315 -1.185 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -3.001 -3.276 -2.468 1.00 0.00 C ATOM 0 H VAL A 126 -4.049 -1.694 0.513 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.417 -4.488 -0.218 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.368 -1.798 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.391 -2.875 -2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.400 -2.982 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.839 -4.402 -1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.454 -2.841 -3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -3.003 -4.362 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.027 -2.909 -2.476 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.666 -4.790 1.504 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.784 -5.069 2.633 1.00 0.00 C ATOM 1957 C CYS A 127 0.369 -5.961 2.199 1.00 0.00 C ATOM 1958 O CYS A 127 0.334 -6.540 1.121 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.555 -5.742 3.771 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.351 -5.451 3.730 1.00 0.00 S ATOM 0 H CYS A 127 -1.872 -5.608 0.930 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.386 -4.120 2.991 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.371 -6.816 3.734 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -1.162 -5.384 4.723 1.00 0.00 H new ATOM 1965 N ASP A 128 1.394 -6.065 3.034 1.00 0.00 N ATOM 1966 CA ASP A 128 2.538 -6.896 2.718 1.00 0.00 C ATOM 1967 C ASP A 128 2.802 -7.884 3.844 1.00 0.00 C ATOM 1968 O ASP A 128 2.618 -7.572 5.019 1.00 0.00 O ATOM 1969 CB ASP A 128 3.775 -6.033 2.477 1.00 0.00 C ATOM 1970 CG ASP A 128 4.302 -5.408 3.755 1.00 0.00 C ATOM 1971 OD1 ASP A 128 3.776 -4.351 4.159 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.242 -5.977 4.350 1.00 0.00 O ATOM 0 H ASP A 128 1.453 -5.584 3.932 1.00 0.00 H new ATOM 0 HA ASP A 128 2.317 -7.452 1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.557 -6.642 2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.532 -5.245 1.764 1.00 0.00 H new ATOM 1977 N ARG A 129 3.231 -9.077 3.469 1.00 0.00 N ATOM 1978 CA ARG A 129 3.524 -10.130 4.430 1.00 0.00 C ATOM 1979 C ARG A 129 4.501 -11.128 3.831 1.00 0.00 C ATOM 1980 O ARG A 129 4.511 -11.343 2.622 1.00 0.00 O ATOM 1981 CB ARG A 129 2.235 -10.842 4.850 1.00 0.00 C ATOM 1982 CG ARG A 129 2.447 -11.921 5.899 1.00 0.00 C ATOM 1983 CD ARG A 129 2.671 -11.322 7.278 1.00 0.00 C ATOM 1984 NE ARG A 129 3.716 -12.023 8.018 1.00 0.00 N ATOM 1985 CZ ARG A 129 4.606 -11.414 8.796 1.00 0.00 C ATOM 1986 NH1 ARG A 129 4.578 -10.096 8.934 1.00 0.00 N ATOM 1987 NH2 ARG A 129 5.525 -12.124 9.436 1.00 0.00 N ATOM 0 H ARG A 129 3.386 -9.343 2.497 1.00 0.00 H new ATOM 0 HA ARG A 129 3.977 -9.679 5.313 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.533 -10.104 5.237 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.774 -11.289 3.969 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.580 -12.581 5.924 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.305 -12.534 5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.942 -10.271 7.177 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.740 -11.358 7.844 1.00 0.00 H new ATOM 0 HE ARG A 129 3.766 -13.038 7.933 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.873 -9.547 8.443 1.00 0.00 H new ATOM 0 HH12 ARG A 129 5.262 -9.631 9.531 1.00 0.00 H new ATOM 0 HH21 ARG A 129 5.550 -13.138 9.332 1.00 0.00 H new ATOM 0 HH22 ARG A 129 6.207 -11.656 10.032 1.00 0.00 H new ATOM 2001 N LEU A 130 5.318 -11.737 4.676 1.00 0.00 N ATOM 2002 CA LEU A 130 6.293 -12.712 4.210 1.00 0.00 C ATOM 2003 C LEU A 130 5.602 -13.958 3.664 1.00 0.00 C ATOM 2004 O LEU A 130 4.626 -14.441 4.239 1.00 0.00 O ATOM 2005 CB LEU A 130 7.257 -13.080 5.341 1.00 0.00 C ATOM 2006 CG LEU A 130 8.464 -12.146 5.507 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.722 -12.802 4.961 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.221 -10.805 4.820 1.00 0.00 C ATOM 0 H LEU A 130 5.326 -11.575 5.683 1.00 0.00 H new ATOM 0 HA LEU A 130 6.864 -12.263 3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.701 -13.097 6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.623 -14.092 5.169 1.00 0.00 H new ATOM 0 HG LEU A 130 8.601 -11.959 6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.568 -12.127 5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.914 -13.728 5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.587 -13.022 3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.092 -10.164 4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 130 8.050 -10.967 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.346 -10.325 5.259 1.00 0.00 H new ATOM 2020 N ALA A 131 6.111 -14.461 2.540 1.00 0.00 N ATOM 2021 CA ALA A 131 5.549 -15.642 1.892 1.00 0.00 C ATOM 2022 C ALA A 131 5.235 -16.744 2.897 1.00 0.00 C ATOM 2023 O ALA A 131 5.999 -16.983 3.833 1.00 0.00 O ATOM 2024 CB ALA A 131 6.502 -16.158 0.824 1.00 0.00 C ATOM 0 H ALA A 131 6.917 -14.064 2.058 1.00 0.00 H new ATOM 0 HA ALA A 131 4.610 -15.347 1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 131 6.072 -17.039 0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 131 6.663 -15.383 0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 131 7.454 -16.422 1.283 1.00 0.00 H new