USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.26) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -1 X(o=-1,f=-0.53) USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.93 USER MOD Single : A 37 THR OG1 : rot 43:sc= 0.881 USER MOD Single : A 40 SER OG : rot 149:sc= -0.784 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.24) USER MOD Single : A 48 CYS SG : rot 23:sc= 0.00425 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -171:sc= -0.431 (180deg=-0.955) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -6.22! C(o=-6.2!,f=-10!) USER MOD Single : A 70 GLN : amide:sc= -2.01 K(o=-2,f=-3.4!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -96:sc= 0.5 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 81 CYS SG : rot 180:sc= -1.93 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -14.715 2.530 -2.919 1.00 0.00 N ATOM 60 CA GLY A 7 -14.101 1.722 -3.957 1.00 0.00 C ATOM 61 C GLY A 7 -13.108 0.721 -3.401 1.00 0.00 C ATOM 62 O GLY A 7 -11.939 1.045 -3.197 1.00 0.00 O ATOM 0 HA2 GLY A 7 -14.878 1.191 -4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.595 2.374 -4.669 1.00 0.00 H new ATOM 66 N ASN A 8 -13.575 -0.499 -3.154 1.00 0.00 N ATOM 67 CA ASN A 8 -12.719 -1.550 -2.617 1.00 0.00 C ATOM 68 C ASN A 8 -11.757 -2.067 -3.682 1.00 0.00 C ATOM 69 O ASN A 8 -12.099 -2.132 -4.863 1.00 0.00 O ATOM 70 CB ASN A 8 -13.569 -2.703 -2.079 1.00 0.00 C ATOM 71 CG ASN A 8 -14.381 -3.379 -3.167 1.00 0.00 C ATOM 72 OD1 ASN A 8 -15.588 -3.166 -3.280 1.00 0.00 O ATOM 73 ND2 ASN A 8 -13.719 -4.201 -3.973 1.00 0.00 N ATOM 0 H ASN A 8 -14.541 -0.784 -3.317 1.00 0.00 H new ATOM 0 HA ASN A 8 -12.134 -1.126 -1.801 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.920 -3.438 -1.604 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.242 -2.326 -1.308 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.211 -4.686 -4.723 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -12.718 -4.347 -3.842 1.00 0.00 H new ATOM 80 N VAL A 9 -10.553 -2.434 -3.256 1.00 0.00 N ATOM 81 CA VAL A 9 -9.542 -2.947 -4.173 1.00 0.00 C ATOM 82 C VAL A 9 -8.668 -3.997 -3.495 1.00 0.00 C ATOM 83 O VAL A 9 -7.841 -3.675 -2.641 1.00 0.00 O ATOM 84 CB VAL A 9 -8.644 -1.816 -4.708 1.00 0.00 C ATOM 85 CG1 VAL A 9 -7.506 -2.386 -5.541 1.00 0.00 C ATOM 86 CG2 VAL A 9 -9.464 -0.825 -5.520 1.00 0.00 C ATOM 0 H VAL A 9 -10.254 -2.386 -2.282 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.074 -3.404 -5.007 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.211 -1.287 -3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.882 -1.572 -5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.904 -3.054 -4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.915 -2.941 -6.385 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.814 -0.032 -5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.926 -1.339 -6.363 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.241 -0.392 -4.889 1.00 0.00 H new ATOM 96 N VAL A 10 -8.855 -5.255 -3.882 1.00 0.00 N ATOM 97 CA VAL A 10 -8.083 -6.353 -3.313 1.00 0.00 C ATOM 98 C VAL A 10 -7.166 -6.979 -4.358 1.00 0.00 C ATOM 99 O VAL A 10 -7.611 -7.749 -5.210 1.00 0.00 O ATOM 100 CB VAL A 10 -9.002 -7.444 -2.733 1.00 0.00 C ATOM 101 CG1 VAL A 10 -8.223 -8.359 -1.801 1.00 0.00 C ATOM 102 CG2 VAL A 10 -10.185 -6.816 -2.011 1.00 0.00 C ATOM 0 H VAL A 10 -9.535 -5.539 -4.588 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.479 -5.932 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.386 -8.046 -3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.889 -9.123 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.413 -8.836 -2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.808 -7.774 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.824 -7.602 -1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.823 -6.189 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.757 -6.207 -2.711 1.00 0.00 H new ATOM 112 N LEU A 11 -5.882 -6.644 -4.287 1.00 0.00 N ATOM 113 CA LEU A 11 -4.900 -7.173 -5.227 1.00 0.00 C ATOM 114 C LEU A 11 -4.271 -8.456 -4.692 1.00 0.00 C ATOM 115 O LEU A 11 -3.972 -8.581 -3.504 1.00 0.00 O ATOM 116 CB LEU A 11 -3.813 -6.133 -5.499 1.00 0.00 C ATOM 117 CG LEU A 11 -4.298 -4.706 -5.758 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.117 -3.765 -5.941 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.209 -4.666 -6.977 1.00 0.00 C ATOM 0 H LEU A 11 -5.497 -6.009 -3.588 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.414 -7.404 -6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.134 -6.115 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.233 -6.460 -6.362 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.869 -4.374 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.482 -2.754 -6.124 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.504 -3.771 -5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.518 -4.094 -6.790 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.545 -3.643 -7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.662 -5.018 -7.852 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.073 -5.308 -6.807 1.00 0.00 H new ATOM 131 N PRO A 12 -4.062 -9.431 -5.589 1.00 0.00 N ATOM 132 CA PRO A 12 -3.464 -10.721 -5.230 1.00 0.00 C ATOM 133 C PRO A 12 -1.986 -10.595 -4.877 1.00 0.00 C ATOM 134 O PRO A 12 -1.190 -10.088 -5.665 1.00 0.00 O ATOM 135 CB PRO A 12 -3.641 -11.559 -6.499 1.00 0.00 C ATOM 136 CG PRO A 12 -3.720 -10.562 -7.603 1.00 0.00 C ATOM 137 CD PRO A 12 -4.394 -9.351 -7.021 1.00 0.00 C ATOM 0 HA PRO A 12 -3.932 -11.156 -4.347 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.804 -12.243 -6.642 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.544 -12.167 -6.449 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.726 -10.314 -7.976 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.288 -10.957 -8.446 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.022 -8.430 -7.469 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.471 -9.373 -7.186 1.00 0.00 H new ATOM 145 N GLY A 13 -1.626 -11.062 -3.685 1.00 0.00 N ATOM 146 CA GLY A 13 -0.244 -10.993 -3.248 1.00 0.00 C ATOM 147 C GLY A 13 0.370 -12.364 -3.046 1.00 0.00 C ATOM 148 O GLY A 13 -0.131 -13.371 -3.546 1.00 0.00 O ATOM 0 H GLY A 13 -2.267 -11.487 -3.015 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.340 -10.442 -3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.189 -10.433 -2.315 1.00 0.00 H new ATOM 152 N PRO A 14 1.483 -12.415 -2.299 1.00 0.00 N ATOM 153 CA PRO A 14 2.088 -11.222 -1.699 1.00 0.00 C ATOM 154 C PRO A 14 2.714 -10.302 -2.743 1.00 0.00 C ATOM 155 O PRO A 14 2.553 -10.512 -3.944 1.00 0.00 O ATOM 156 CB PRO A 14 3.167 -11.797 -0.778 1.00 0.00 C ATOM 157 CG PRO A 14 3.508 -13.119 -1.373 1.00 0.00 C ATOM 158 CD PRO A 14 2.235 -13.640 -1.981 1.00 0.00 C ATOM 0 HA PRO A 14 1.351 -10.607 -1.183 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.040 -11.145 -0.735 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.800 -11.905 0.243 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.288 -13.018 -2.128 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.886 -13.803 -0.613 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.430 -14.235 -2.873 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.689 -14.278 -1.286 1.00 0.00 H new ATOM 166 N ALA A 15 3.427 -9.283 -2.275 1.00 0.00 N ATOM 167 CA ALA A 15 4.079 -8.334 -3.169 1.00 0.00 C ATOM 168 C ALA A 15 5.165 -9.014 -3.995 1.00 0.00 C ATOM 169 O ALA A 15 5.575 -10.141 -3.719 1.00 0.00 O ATOM 170 CB ALA A 15 4.665 -7.177 -2.372 1.00 0.00 C ATOM 0 H ALA A 15 3.568 -9.094 -1.283 1.00 0.00 H new ATOM 0 HA ALA A 15 3.328 -7.945 -3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.149 -6.475 -3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.868 -6.667 -1.831 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.398 -7.559 -1.662 1.00 0.00 H new ATOM 176 N PRO A 16 5.643 -8.314 -5.035 1.00 0.00 N ATOM 177 CA PRO A 16 5.163 -6.972 -5.374 1.00 0.00 C ATOM 178 C PRO A 16 3.736 -6.985 -5.913 1.00 0.00 C ATOM 179 O PRO A 16 3.187 -8.045 -6.215 1.00 0.00 O ATOM 180 CB PRO A 16 6.140 -6.508 -6.458 1.00 0.00 C ATOM 181 CG PRO A 16 6.651 -7.767 -7.070 1.00 0.00 C ATOM 182 CD PRO A 16 6.689 -8.781 -5.960 1.00 0.00 C ATOM 0 HA PRO A 16 5.131 -6.319 -4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.642 -5.882 -7.198 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.951 -5.916 -6.033 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.001 -8.099 -7.880 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.643 -7.619 -7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.481 -9.786 -6.327 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.666 -8.813 -5.478 1.00 0.00 H new ATOM 190 N TRP A 17 3.143 -5.803 -6.032 1.00 0.00 N ATOM 191 CA TRP A 17 1.779 -5.680 -6.536 1.00 0.00 C ATOM 192 C TRP A 17 1.776 -5.229 -7.992 1.00 0.00 C ATOM 193 O TRP A 17 1.096 -5.817 -8.832 1.00 0.00 O ATOM 194 CB TRP A 17 0.985 -4.691 -5.680 1.00 0.00 C ATOM 195 CG TRP A 17 1.094 -4.958 -4.209 1.00 0.00 C ATOM 196 CD1 TRP A 17 1.781 -4.217 -3.291 1.00 0.00 C ATOM 197 CD2 TRP A 17 0.497 -6.042 -3.489 1.00 0.00 C ATOM 198 NE1 TRP A 17 1.649 -4.775 -2.042 1.00 0.00 N ATOM 199 CE2 TRP A 17 0.865 -5.895 -2.137 1.00 0.00 C ATOM 200 CE3 TRP A 17 -0.313 -7.120 -3.853 1.00 0.00 C ATOM 201 CZ2 TRP A 17 0.450 -6.788 -1.152 1.00 0.00 C ATOM 202 CZ3 TRP A 17 -0.723 -8.005 -2.874 1.00 0.00 C ATOM 203 CH2 TRP A 17 -0.342 -7.835 -1.537 1.00 0.00 C ATOM 0 H TRP A 17 3.584 -4.917 -5.787 1.00 0.00 H new ATOM 0 HA TRP A 17 1.306 -6.660 -6.478 1.00 0.00 H new ATOM 0 HB2 TRP A 17 1.336 -3.680 -5.886 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -0.064 -4.729 -5.972 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.345 -3.323 -3.514 1.00 0.00 H new ATOM 0 HE1 TRP A 17 2.067 -4.414 -1.184 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.613 -7.259 -4.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 0.743 -6.658 -0.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -1.348 -8.843 -3.145 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.680 -8.544 -0.796 1.00 0.00 H new ATOM 214 N GLY A 18 2.540 -4.180 -8.284 1.00 0.00 N ATOM 215 CA GLY A 18 2.610 -3.669 -9.641 1.00 0.00 C ATOM 216 C GLY A 18 2.279 -2.192 -9.721 1.00 0.00 C ATOM 217 O GLY A 18 2.405 -1.576 -10.779 1.00 0.00 O ATOM 0 H GLY A 18 3.111 -3.676 -7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.611 -3.836 -10.038 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.920 -4.228 -10.273 1.00 0.00 H new ATOM 221 N PHE A 19 1.852 -1.621 -8.599 1.00 0.00 N ATOM 222 CA PHE A 19 1.499 -0.207 -8.547 1.00 0.00 C ATOM 223 C PHE A 19 2.506 0.575 -7.708 1.00 0.00 C ATOM 224 O PHE A 19 3.197 0.008 -6.862 1.00 0.00 O ATOM 225 CB PHE A 19 0.092 -0.032 -7.970 1.00 0.00 C ATOM 226 CG PHE A 19 0.032 -0.191 -6.478 1.00 0.00 C ATOM 227 CD1 PHE A 19 -0.168 -1.438 -5.909 1.00 0.00 C ATOM 228 CD2 PHE A 19 0.176 0.906 -5.645 1.00 0.00 C ATOM 229 CE1 PHE A 19 -0.225 -1.587 -4.536 1.00 0.00 C ATOM 230 CE2 PHE A 19 0.121 0.763 -4.271 1.00 0.00 C ATOM 231 CZ PHE A 19 -0.079 -0.486 -3.716 1.00 0.00 C ATOM 0 H PHE A 19 1.742 -2.116 -7.714 1.00 0.00 H new ATOM 0 HA PHE A 19 1.519 0.184 -9.564 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.281 0.957 -8.237 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.575 -0.760 -8.432 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.281 -2.303 -6.545 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.333 1.885 -6.074 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.384 -2.564 -4.105 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.234 1.627 -3.632 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.121 -0.601 -2.643 1.00 0.00 H new ATOM 241 N ARG A 20 2.582 1.879 -7.950 1.00 0.00 N ATOM 242 CA ARG A 20 3.505 2.739 -7.219 1.00 0.00 C ATOM 243 C ARG A 20 2.747 3.690 -6.296 1.00 0.00 C ATOM 244 O ARG A 20 1.516 3.725 -6.299 1.00 0.00 O ATOM 245 CB ARG A 20 4.370 3.540 -8.194 1.00 0.00 C ATOM 246 CG ARG A 20 4.994 2.693 -9.291 1.00 0.00 C ATOM 247 CD ARG A 20 5.566 1.397 -8.738 1.00 0.00 C ATOM 248 NE ARG A 20 6.434 0.726 -9.702 1.00 0.00 N ATOM 249 CZ ARG A 20 6.823 -0.538 -9.585 1.00 0.00 C ATOM 250 NH1 ARG A 20 6.424 -1.265 -8.551 1.00 0.00 N ATOM 251 NH2 ARG A 20 7.614 -1.078 -10.504 1.00 0.00 N ATOM 0 H ARG A 20 2.016 2.363 -8.646 1.00 0.00 H new ATOM 0 HA ARG A 20 4.148 2.104 -6.610 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.761 4.320 -8.651 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.163 4.040 -7.637 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.244 2.467 -10.048 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.784 3.259 -9.784 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.129 1.608 -7.829 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.750 0.730 -8.460 1.00 0.00 H new ATOM 0 HE ARG A 20 6.759 1.258 -10.509 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.816 -0.854 -7.842 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.725 -2.236 -8.464 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.924 -0.522 -11.301 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.912 -2.049 -10.413 1.00 0.00 H new ATOM 265 N LEU A 21 3.490 4.458 -5.508 1.00 0.00 N ATOM 266 CA LEU A 21 2.890 5.409 -4.579 1.00 0.00 C ATOM 267 C LEU A 21 3.503 6.796 -4.747 1.00 0.00 C ATOM 268 O LEU A 21 4.643 6.932 -5.190 1.00 0.00 O ATOM 269 CB LEU A 21 3.072 4.929 -3.138 1.00 0.00 C ATOM 270 CG LEU A 21 4.415 4.276 -2.813 1.00 0.00 C ATOM 271 CD1 LEU A 21 5.564 5.171 -3.252 1.00 0.00 C ATOM 272 CD2 LEU A 21 4.513 3.969 -1.326 1.00 0.00 C ATOM 0 H LEU A 21 4.510 4.441 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 21 1.825 5.474 -4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.934 5.781 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.280 4.216 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 21 4.483 3.337 -3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.512 4.690 -3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.504 5.339 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.500 6.126 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.476 3.504 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.423 4.894 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.711 3.288 -1.041 1.00 0.00 H new ATOM 284 N SER A 22 2.739 7.822 -4.387 1.00 0.00 N ATOM 285 CA SER A 22 3.207 9.199 -4.499 1.00 0.00 C ATOM 286 C SER A 22 2.578 10.076 -3.420 1.00 0.00 C ATOM 287 O SER A 22 1.644 9.662 -2.734 1.00 0.00 O ATOM 288 CB SER A 22 2.878 9.761 -5.884 1.00 0.00 C ATOM 289 OG SER A 22 3.850 10.707 -6.294 1.00 0.00 O ATOM 0 H SER A 22 1.794 7.726 -4.016 1.00 0.00 H new ATOM 0 HA SER A 22 4.288 9.201 -4.361 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.829 8.948 -6.608 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.894 10.230 -5.865 1.00 0.00 H new ATOM 0 HG SER A 22 3.618 11.050 -7.182 1.00 0.00 H new ATOM 295 N GLY A 23 3.099 11.291 -3.276 1.00 0.00 N ATOM 296 CA GLY A 23 2.578 12.207 -2.279 1.00 0.00 C ATOM 297 C GLY A 23 2.728 11.676 -0.867 1.00 0.00 C ATOM 298 O GLY A 23 3.532 10.779 -0.616 1.00 0.00 O ATOM 0 H GLY A 23 3.872 11.657 -3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.097 13.162 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.524 12.398 -2.482 1.00 0.00 H new ATOM 302 N GLY A 24 1.951 12.231 0.058 1.00 0.00 N ATOM 303 CA GLY A 24 2.018 11.795 1.441 1.00 0.00 C ATOM 304 C GLY A 24 1.620 12.888 2.413 1.00 0.00 C ATOM 305 O GLY A 24 1.953 14.057 2.214 1.00 0.00 O ATOM 0 H GLY A 24 1.277 12.974 -0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.364 10.934 1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.032 11.464 1.666 1.00 0.00 H new ATOM 309 N ILE A 25 0.904 12.509 3.466 1.00 0.00 N ATOM 310 CA ILE A 25 0.460 13.466 4.472 1.00 0.00 C ATOM 311 C ILE A 25 1.630 14.288 5.003 1.00 0.00 C ATOM 312 O ILE A 25 1.436 15.328 5.633 1.00 0.00 O ATOM 313 CB ILE A 25 -0.235 12.761 5.652 1.00 0.00 C ATOM 314 CG1 ILE A 25 0.759 11.871 6.400 1.00 0.00 C ATOM 315 CG2 ILE A 25 -1.418 11.943 5.157 1.00 0.00 C ATOM 316 CD1 ILE A 25 0.450 11.725 7.874 1.00 0.00 C ATOM 0 H ILE A 25 0.619 11.546 3.645 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.255 14.129 3.984 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.605 13.519 6.342 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.768 10.883 5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.761 12.284 6.286 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.899 11.451 6.002 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.134 12.600 4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.070 11.191 4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.196 11.081 8.340 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.470 12.706 8.349 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.539 11.283 7.996 1.00 0.00 H new ATOM 328 N ASP A 26 2.844 13.816 4.743 1.00 0.00 N ATOM 329 CA ASP A 26 4.046 14.508 5.192 1.00 0.00 C ATOM 330 C ASP A 26 4.481 15.557 4.174 1.00 0.00 C ATOM 331 O ASP A 26 5.064 16.581 4.532 1.00 0.00 O ATOM 332 CB ASP A 26 5.178 13.507 5.429 1.00 0.00 C ATOM 333 CG ASP A 26 6.478 14.185 5.815 1.00 0.00 C ATOM 334 OD1 ASP A 26 6.457 15.026 6.738 1.00 0.00 O ATOM 335 OD2 ASP A 26 7.517 13.875 5.195 1.00 0.00 O ATOM 0 H ASP A 26 3.022 12.956 4.223 1.00 0.00 H new ATOM 0 HA ASP A 26 3.816 15.013 6.130 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.886 12.812 6.217 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.333 12.918 4.525 1.00 0.00 H new ATOM 340 N PHE A 27 4.197 15.294 2.902 1.00 0.00 N ATOM 341 CA PHE A 27 4.561 16.214 1.831 1.00 0.00 C ATOM 342 C PHE A 27 3.400 17.146 1.497 1.00 0.00 C ATOM 343 O PHE A 27 3.408 17.821 0.468 1.00 0.00 O ATOM 344 CB PHE A 27 4.980 15.436 0.583 1.00 0.00 C ATOM 345 CG PHE A 27 6.238 14.636 0.769 1.00 0.00 C ATOM 346 CD1 PHE A 27 6.214 13.432 1.453 1.00 0.00 C ATOM 347 CD2 PHE A 27 7.445 15.090 0.261 1.00 0.00 C ATOM 348 CE1 PHE A 27 7.370 12.693 1.627 1.00 0.00 C ATOM 349 CE2 PHE A 27 8.603 14.356 0.430 1.00 0.00 C ATOM 350 CZ PHE A 27 8.566 13.156 1.115 1.00 0.00 C ATOM 0 H PHE A 27 3.716 14.451 2.588 1.00 0.00 H new ATOM 0 HA PHE A 27 5.401 16.818 2.174 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.171 14.764 0.295 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.122 16.136 -0.241 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.281 13.066 1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.481 16.028 -0.273 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.337 11.756 2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.537 14.720 0.027 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.471 12.582 1.250 1.00 0.00 H new ATOM 360 N ASN A 28 2.402 17.177 2.374 1.00 0.00 N ATOM 361 CA ASN A 28 1.233 18.025 2.172 1.00 0.00 C ATOM 362 C ASN A 28 0.552 17.706 0.844 1.00 0.00 C ATOM 363 O ASN A 28 0.111 18.607 0.131 1.00 0.00 O ATOM 364 CB ASN A 28 1.634 19.501 2.212 1.00 0.00 C ATOM 365 CG ASN A 28 2.520 19.827 3.399 1.00 0.00 C ATOM 366 OD1 ASN A 28 3.678 20.211 3.236 1.00 0.00 O ATOM 367 ND2 ASN A 28 1.977 19.676 4.601 1.00 0.00 N ATOM 0 H ASN A 28 2.379 16.625 3.231 1.00 0.00 H new ATOM 0 HA ASN A 28 0.527 17.826 2.978 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.157 19.758 1.291 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.736 20.118 2.252 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.524 19.881 5.437 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.013 19.355 4.688 1.00 0.00 H new ATOM 374 N GLN A 29 0.472 16.420 0.521 1.00 0.00 N ATOM 375 CA GLN A 29 -0.155 15.983 -0.722 1.00 0.00 C ATOM 376 C GLN A 29 -0.836 14.631 -0.542 1.00 0.00 C ATOM 377 O GLN A 29 -0.440 13.814 0.291 1.00 0.00 O ATOM 378 CB GLN A 29 0.886 15.899 -1.840 1.00 0.00 C ATOM 379 CG GLN A 29 1.177 17.236 -2.502 1.00 0.00 C ATOM 380 CD GLN A 29 -0.052 17.850 -3.142 1.00 0.00 C ATOM 381 OE1 GLN A 29 -0.850 18.509 -2.474 1.00 0.00 O ATOM 382 NE2 GLN A 29 -0.211 17.638 -4.443 1.00 0.00 N ATOM 0 H GLN A 29 0.833 15.663 1.101 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.913 16.717 -0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.813 15.495 -1.432 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.538 15.196 -2.597 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.578 17.925 -1.759 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.948 17.101 -3.261 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.475 17.086 -4.957 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.019 18.027 -4.928 1.00 0.00 H new ATOM 391 N PRO A 30 -1.887 14.386 -1.339 1.00 0.00 N ATOM 392 CA PRO A 30 -2.645 13.133 -1.286 1.00 0.00 C ATOM 393 C PRO A 30 -1.844 11.948 -1.814 1.00 0.00 C ATOM 394 O PRO A 30 -1.046 12.088 -2.741 1.00 0.00 O ATOM 395 CB PRO A 30 -3.850 13.409 -2.190 1.00 0.00 C ATOM 396 CG PRO A 30 -3.383 14.466 -3.130 1.00 0.00 C ATOM 397 CD PRO A 30 -2.414 15.314 -2.353 1.00 0.00 C ATOM 0 HA PRO A 30 -2.914 12.862 -0.265 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.157 12.511 -2.725 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.710 13.745 -1.611 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.903 14.026 -4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.220 15.063 -3.493 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.621 15.705 -2.991 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.907 16.171 -1.895 1.00 0.00 H new ATOM 405 N LEU A 31 -2.062 10.780 -1.218 1.00 0.00 N ATOM 406 CA LEU A 31 -1.360 9.569 -1.629 1.00 0.00 C ATOM 407 C LEU A 31 -1.939 9.018 -2.928 1.00 0.00 C ATOM 408 O LEU A 31 -3.045 8.478 -2.947 1.00 0.00 O ATOM 409 CB LEU A 31 -1.445 8.509 -0.529 1.00 0.00 C ATOM 410 CG LEU A 31 -0.475 8.676 0.641 1.00 0.00 C ATOM 411 CD1 LEU A 31 -0.798 7.685 1.748 1.00 0.00 C ATOM 412 CD2 LEU A 31 0.962 8.503 0.170 1.00 0.00 C ATOM 0 H LEU A 31 -2.719 10.646 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.314 9.825 -1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.461 8.504 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.274 7.532 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.587 9.684 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.097 7.819 2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.814 7.856 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.715 6.669 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.639 8.625 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.088 7.507 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.189 9.253 -0.588 1.00 0.00 H new ATOM 424 N VAL A 32 -1.184 9.158 -4.013 1.00 0.00 N ATOM 425 CA VAL A 32 -1.620 8.672 -5.316 1.00 0.00 C ATOM 426 C VAL A 32 -0.554 7.792 -5.960 1.00 0.00 C ATOM 427 O VAL A 32 0.626 7.878 -5.616 1.00 0.00 O ATOM 428 CB VAL A 32 -1.952 9.836 -6.268 1.00 0.00 C ATOM 429 CG1 VAL A 32 -3.227 10.539 -5.828 1.00 0.00 C ATOM 430 CG2 VAL A 32 -0.790 10.816 -6.335 1.00 0.00 C ATOM 0 H VAL A 32 -0.267 9.604 -4.015 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.521 8.082 -5.147 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.115 9.431 -7.267 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.445 11.359 -6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.055 9.830 -5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.096 10.933 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.041 11.632 -7.012 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.594 11.217 -5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.099 10.302 -6.701 1.00 0.00 H new ATOM 440 N ILE A 33 -0.977 6.948 -6.894 1.00 0.00 N ATOM 441 CA ILE A 33 -0.057 6.054 -7.587 1.00 0.00 C ATOM 442 C ILE A 33 0.745 6.803 -8.645 1.00 0.00 C ATOM 443 O ILE A 33 0.206 7.630 -9.381 1.00 0.00 O ATOM 444 CB ILE A 33 -0.806 4.886 -8.258 1.00 0.00 C ATOM 445 CG1 ILE A 33 -1.507 4.028 -7.203 1.00 0.00 C ATOM 446 CG2 ILE A 33 0.157 4.043 -9.080 1.00 0.00 C ATOM 447 CD1 ILE A 33 -2.548 3.094 -7.778 1.00 0.00 C ATOM 0 H ILE A 33 -1.950 6.864 -7.189 1.00 0.00 H new ATOM 0 HA ILE A 33 0.623 5.655 -6.834 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.563 5.295 -8.927 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.760 3.441 -6.669 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.982 4.682 -6.471 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.386 3.222 -9.548 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.615 4.662 -9.852 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.934 3.640 -8.430 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.004 2.517 -6.973 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.316 3.675 -8.288 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.075 2.415 -8.488 1.00 0.00 H new ATOM 459 N THR A 34 2.039 6.506 -8.718 1.00 0.00 N ATOM 460 CA THR A 34 2.918 7.151 -9.687 1.00 0.00 C ATOM 461 C THR A 34 2.855 6.448 -11.038 1.00 0.00 C ATOM 462 O THR A 34 2.932 7.090 -12.086 1.00 0.00 O ATOM 463 CB THR A 34 4.378 7.168 -9.197 1.00 0.00 C ATOM 464 OG1 THR A 34 5.007 5.915 -9.488 1.00 0.00 O ATOM 465 CG2 THR A 34 4.444 7.439 -7.702 1.00 0.00 C ATOM 0 H THR A 34 2.502 5.823 -8.118 1.00 0.00 H new ATOM 0 HA THR A 34 2.568 8.177 -9.798 1.00 0.00 H new ATOM 0 HB THR A 34 4.904 7.968 -9.719 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.935 5.935 -9.175 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.485 7.446 -7.379 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.991 8.407 -7.487 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.904 6.658 -7.167 1.00 0.00 H new ATOM 473 N ARG A 35 2.715 5.127 -11.007 1.00 0.00 N ATOM 474 CA ARG A 35 2.643 4.337 -12.231 1.00 0.00 C ATOM 475 C ARG A 35 2.029 2.967 -11.958 1.00 0.00 C ATOM 476 O ARG A 35 1.928 2.539 -10.808 1.00 0.00 O ATOM 477 CB ARG A 35 4.036 4.172 -12.839 1.00 0.00 C ATOM 478 CG ARG A 35 4.035 4.122 -14.358 1.00 0.00 C ATOM 479 CD ARG A 35 5.144 3.225 -14.887 1.00 0.00 C ATOM 480 NE ARG A 35 6.384 3.963 -15.114 1.00 0.00 N ATOM 481 CZ ARG A 35 6.636 4.653 -16.221 1.00 0.00 C ATOM 482 NH1 ARG A 35 5.739 4.698 -17.197 1.00 0.00 N ATOM 483 NH2 ARG A 35 7.787 5.299 -16.354 1.00 0.00 N ATOM 0 H ARG A 35 2.649 4.581 -10.148 1.00 0.00 H new ATOM 0 HA ARG A 35 2.006 4.867 -12.939 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.666 4.999 -12.511 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.485 3.257 -12.454 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.071 3.756 -14.710 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.159 5.129 -14.756 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.327 2.418 -14.177 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.822 2.762 -15.820 1.00 0.00 H new ATOM 0 HE ARG A 35 7.095 3.948 -14.383 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.853 4.202 -17.099 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.935 5.229 -18.046 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.480 5.266 -15.606 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.979 5.828 -17.204 1.00 0.00 H new ATOM 497 N ILE A 36 1.620 2.285 -13.023 1.00 0.00 N ATOM 498 CA ILE A 36 1.018 0.964 -12.898 1.00 0.00 C ATOM 499 C ILE A 36 1.632 -0.017 -13.890 1.00 0.00 C ATOM 500 O ILE A 36 1.881 0.326 -15.047 1.00 0.00 O ATOM 501 CB ILE A 36 -0.505 1.017 -13.121 1.00 0.00 C ATOM 502 CG1 ILE A 36 -1.164 1.929 -12.084 1.00 0.00 C ATOM 503 CG2 ILE A 36 -1.099 -0.383 -13.056 1.00 0.00 C ATOM 504 CD1 ILE A 36 -1.174 1.348 -10.688 1.00 0.00 C ATOM 0 H ILE A 36 1.695 2.626 -13.981 1.00 0.00 H new ATOM 0 HA ILE A 36 1.217 0.621 -11.883 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.697 1.427 -14.112 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.640 2.885 -12.067 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.190 2.133 -12.391 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.176 -0.329 -13.215 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.648 -1.006 -13.829 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.899 -0.818 -12.077 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.656 2.048 -10.006 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.723 0.407 -10.690 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.150 1.170 -10.361 1.00 0.00 H new ATOM 516 N THR A 37 1.873 -1.241 -13.432 1.00 0.00 N ATOM 517 CA THR A 37 2.458 -2.273 -14.279 1.00 0.00 C ATOM 518 C THR A 37 1.534 -2.619 -15.441 1.00 0.00 C ATOM 519 O THR A 37 0.328 -2.800 -15.274 1.00 0.00 O ATOM 520 CB THR A 37 2.759 -3.554 -13.478 1.00 0.00 C ATOM 521 OG1 THR A 37 3.668 -3.262 -12.410 1.00 0.00 O ATOM 522 CG2 THR A 37 3.354 -4.627 -14.377 1.00 0.00 C ATOM 0 H THR A 37 1.672 -1.542 -12.478 1.00 0.00 H new ATOM 0 HA THR A 37 3.393 -1.870 -14.669 1.00 0.00 H new ATOM 0 HB THR A 37 1.821 -3.927 -13.065 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.408 -2.421 -11.979 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.558 -5.522 -13.789 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.648 -4.868 -15.172 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.283 -4.261 -14.815 1.00 0.00 H new ATOM 530 N PRO A 38 2.110 -2.716 -16.648 1.00 0.00 N ATOM 531 CA PRO A 38 1.356 -3.043 -17.862 1.00 0.00 C ATOM 532 C PRO A 38 0.870 -4.488 -17.870 1.00 0.00 C ATOM 533 O PRO A 38 1.669 -5.422 -17.821 1.00 0.00 O ATOM 534 CB PRO A 38 2.372 -2.814 -18.984 1.00 0.00 C ATOM 535 CG PRO A 38 3.700 -3.000 -18.336 1.00 0.00 C ATOM 536 CD PRO A 38 3.543 -2.513 -16.921 1.00 0.00 C ATOM 0 HA PRO A 38 0.454 -2.439 -17.956 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.227 -3.522 -19.800 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.275 -1.815 -19.408 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.001 -4.047 -18.357 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.472 -2.436 -18.859 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.168 -3.078 -16.230 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.826 -1.465 -16.823 1.00 0.00 H new ATOM 544 N GLY A 39 -0.447 -4.664 -17.934 1.00 0.00 N ATOM 545 CA GLY A 39 -1.016 -5.999 -17.949 1.00 0.00 C ATOM 546 C GLY A 39 -0.506 -6.859 -16.809 1.00 0.00 C ATOM 547 O GLY A 39 0.226 -7.824 -17.030 1.00 0.00 O ATOM 0 H GLY A 39 -1.129 -3.907 -17.976 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.102 -5.929 -17.889 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.780 -6.481 -18.898 1.00 0.00 H new ATOM 551 N SER A 40 -0.893 -6.509 -15.587 1.00 0.00 N ATOM 552 CA SER A 40 -0.465 -7.253 -14.407 1.00 0.00 C ATOM 553 C SER A 40 -1.554 -7.248 -13.338 1.00 0.00 C ATOM 554 O SER A 40 -2.653 -6.738 -13.556 1.00 0.00 O ATOM 555 CB SER A 40 0.825 -6.656 -13.842 1.00 0.00 C ATOM 556 OG SER A 40 0.545 -5.705 -12.829 1.00 0.00 O ATOM 0 H SER A 40 -1.502 -5.715 -15.387 1.00 0.00 H new ATOM 0 HA SER A 40 -0.278 -8.285 -14.705 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.450 -7.451 -13.436 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.392 -6.182 -14.643 1.00 0.00 H new ATOM 0 HG SER A 40 1.271 -5.705 -12.171 1.00 0.00 H new ATOM 562 N LYS A 41 -1.239 -7.819 -12.180 1.00 0.00 N ATOM 563 CA LYS A 41 -2.187 -7.881 -11.074 1.00 0.00 C ATOM 564 C LYS A 41 -2.633 -6.482 -10.662 1.00 0.00 C ATOM 565 O LYS A 41 -3.713 -6.306 -10.098 1.00 0.00 O ATOM 566 CB LYS A 41 -1.561 -8.602 -9.879 1.00 0.00 C ATOM 567 CG LYS A 41 -0.990 -9.967 -10.222 1.00 0.00 C ATOM 568 CD LYS A 41 -0.144 -10.519 -9.087 1.00 0.00 C ATOM 569 CE LYS A 41 0.462 -11.866 -9.448 1.00 0.00 C ATOM 570 NZ LYS A 41 1.201 -12.467 -8.303 1.00 0.00 N ATOM 0 H LYS A 41 -0.334 -8.246 -11.983 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.062 -8.438 -11.408 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.768 -7.980 -9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.315 -8.718 -9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.804 -10.659 -10.440 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.385 -9.893 -11.125 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.652 -9.813 -8.848 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.757 -10.623 -8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.328 -12.546 -9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.139 -11.745 -10.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.599 -13.384 -8.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.971 -11.830 -8.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.550 -12.607 -7.504 1.00 0.00 H new ATOM 584 N ALA A 42 -1.796 -5.490 -10.948 1.00 0.00 N ATOM 585 CA ALA A 42 -2.106 -4.107 -10.610 1.00 0.00 C ATOM 586 C ALA A 42 -3.051 -3.489 -11.635 1.00 0.00 C ATOM 587 O ALA A 42 -4.233 -3.285 -11.359 1.00 0.00 O ATOM 588 CB ALA A 42 -0.827 -3.289 -10.508 1.00 0.00 C ATOM 0 H ALA A 42 -0.898 -5.619 -11.413 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.607 -4.100 -9.642 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.074 -2.258 -10.255 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.187 -3.710 -9.733 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.303 -3.313 -11.463 1.00 0.00 H new ATOM 594 N ALA A 43 -2.522 -3.194 -12.818 1.00 0.00 N ATOM 595 CA ALA A 43 -3.319 -2.601 -13.884 1.00 0.00 C ATOM 596 C ALA A 43 -4.563 -3.436 -14.170 1.00 0.00 C ATOM 597 O ALA A 43 -5.655 -2.899 -14.348 1.00 0.00 O ATOM 598 CB ALA A 43 -2.482 -2.448 -15.146 1.00 0.00 C ATOM 0 H ALA A 43 -1.545 -3.356 -13.062 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.644 -1.614 -13.555 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.090 -2.004 -15.934 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.628 -1.803 -14.940 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.128 -3.427 -15.469 1.00 0.00 H new ATOM 604 N ALA A 44 -4.388 -4.753 -14.212 1.00 0.00 N ATOM 605 CA ALA A 44 -5.497 -5.662 -14.475 1.00 0.00 C ATOM 606 C ALA A 44 -6.561 -5.558 -13.388 1.00 0.00 C ATOM 607 O ALA A 44 -7.706 -5.964 -13.586 1.00 0.00 O ATOM 608 CB ALA A 44 -4.991 -7.093 -14.585 1.00 0.00 C ATOM 0 H ALA A 44 -3.490 -5.214 -14.067 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.953 -5.375 -15.422 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.829 -7.761 -14.781 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.272 -7.163 -15.401 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.509 -7.381 -13.651 1.00 0.00 H new ATOM 614 N ALA A 45 -6.176 -5.013 -12.239 1.00 0.00 N ATOM 615 CA ALA A 45 -7.098 -4.855 -11.121 1.00 0.00 C ATOM 616 C ALA A 45 -7.804 -3.504 -11.179 1.00 0.00 C ATOM 617 O ALA A 45 -8.318 -3.019 -10.172 1.00 0.00 O ATOM 618 CB ALA A 45 -6.358 -5.010 -9.801 1.00 0.00 C ATOM 0 H ALA A 45 -5.231 -4.673 -12.058 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.856 -5.635 -11.194 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.059 -4.890 -8.975 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.905 -6.000 -9.752 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.579 -4.251 -9.729 1.00 0.00 H new ATOM 624 N ASN A 46 -7.825 -2.903 -12.364 1.00 0.00 N ATOM 625 CA ASN A 46 -8.468 -1.607 -12.552 1.00 0.00 C ATOM 626 C ASN A 46 -7.699 -0.508 -11.825 1.00 0.00 C ATOM 627 O ASN A 46 -8.287 0.459 -11.340 1.00 0.00 O ATOM 628 CB ASN A 46 -9.912 -1.653 -12.050 1.00 0.00 C ATOM 629 CG ASN A 46 -10.637 -2.911 -12.487 1.00 0.00 C ATOM 630 OD1 ASN A 46 -11.020 -3.740 -11.661 1.00 0.00 O ATOM 631 ND2 ASN A 46 -10.828 -3.060 -13.793 1.00 0.00 N ATOM 0 H ASN A 46 -7.405 -3.292 -13.208 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.469 -1.381 -13.618 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.917 -1.594 -10.962 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.450 -0.780 -12.420 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.309 -3.887 -14.147 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.494 -2.348 -14.442 1.00 0.00 H new ATOM 638 N LEU A 47 -6.382 -0.663 -11.754 1.00 0.00 N ATOM 639 CA LEU A 47 -5.531 0.316 -11.087 1.00 0.00 C ATOM 640 C LEU A 47 -4.906 1.273 -12.098 1.00 0.00 C ATOM 641 O LEU A 47 -4.422 0.851 -13.149 1.00 0.00 O ATOM 642 CB LEU A 47 -4.433 -0.391 -10.291 1.00 0.00 C ATOM 643 CG LEU A 47 -4.903 -1.458 -9.301 1.00 0.00 C ATOM 644 CD1 LEU A 47 -3.715 -2.086 -8.589 1.00 0.00 C ATOM 645 CD2 LEU A 47 -5.875 -0.860 -8.294 1.00 0.00 C ATOM 0 H LEU A 47 -5.880 -1.458 -12.150 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.152 0.894 -10.403 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.743 -0.856 -10.995 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.868 0.362 -9.742 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.421 -2.239 -9.857 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.069 -2.843 -7.889 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.055 -2.550 -9.322 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.168 -1.316 -8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.199 -1.633 -7.598 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.381 -0.059 -7.743 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.742 -0.458 -8.819 1.00 0.00 H new ATOM 657 N CYS A 48 -4.918 2.560 -11.771 1.00 0.00 N ATOM 658 CA CYS A 48 -4.351 3.577 -12.650 1.00 0.00 C ATOM 659 C CYS A 48 -3.610 4.640 -11.845 1.00 0.00 C ATOM 660 O CYS A 48 -3.980 4.970 -10.718 1.00 0.00 O ATOM 661 CB CYS A 48 -5.453 4.230 -13.487 1.00 0.00 C ATOM 662 SG CYS A 48 -5.887 3.310 -14.981 1.00 0.00 S ATOM 0 H CYS A 48 -5.314 2.924 -10.904 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.639 3.090 -13.316 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.345 4.342 -12.870 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.133 5.233 -13.771 1.00 0.00 H new ATOM 0 HG CYS A 48 -5.544 2.064 -14.838 1.00 0.00 H new ATOM 668 N PRO A 49 -2.538 5.188 -12.434 1.00 0.00 N ATOM 669 CA PRO A 49 -1.721 6.221 -11.789 1.00 0.00 C ATOM 670 C PRO A 49 -2.457 7.551 -11.669 1.00 0.00 C ATOM 671 O PRO A 49 -2.526 8.322 -12.626 1.00 0.00 O ATOM 672 CB PRO A 49 -0.518 6.358 -12.726 1.00 0.00 C ATOM 673 CG PRO A 49 -1.020 5.913 -14.056 1.00 0.00 C ATOM 674 CD PRO A 49 -2.039 4.843 -13.776 1.00 0.00 C ATOM 0 HA PRO A 49 -1.454 5.951 -10.767 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.160 7.387 -12.762 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.316 5.742 -12.391 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.466 6.744 -14.603 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.207 5.527 -14.671 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.840 4.848 -14.516 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.593 3.849 -13.795 1.00 0.00 H new ATOM 682 N GLY A 50 -3.006 7.814 -10.487 1.00 0.00 N ATOM 683 CA GLY A 50 -3.730 9.052 -10.264 1.00 0.00 C ATOM 684 C GLY A 50 -4.758 8.931 -9.157 1.00 0.00 C ATOM 685 O GLY A 50 -5.222 9.937 -8.620 1.00 0.00 O ATOM 0 H GLY A 50 -2.962 7.192 -9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.023 9.843 -10.014 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.228 9.350 -11.187 1.00 0.00 H new ATOM 689 N ASP A 51 -5.115 7.698 -8.815 1.00 0.00 N ATOM 690 CA ASP A 51 -6.095 7.450 -7.765 1.00 0.00 C ATOM 691 C ASP A 51 -5.598 7.976 -6.422 1.00 0.00 C ATOM 692 O ASP A 51 -4.414 8.273 -6.260 1.00 0.00 O ATOM 693 CB ASP A 51 -6.395 5.954 -7.661 1.00 0.00 C ATOM 694 CG ASP A 51 -7.437 5.501 -8.665 1.00 0.00 C ATOM 695 OD1 ASP A 51 -8.378 6.276 -8.933 1.00 0.00 O ATOM 696 OD2 ASP A 51 -7.311 4.371 -9.183 1.00 0.00 O ATOM 0 H ASP A 51 -4.740 6.855 -9.250 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.011 7.979 -8.025 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.475 5.390 -7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.742 5.725 -6.653 1.00 0.00 H new ATOM 701 N VAL A 52 -6.510 8.089 -5.462 1.00 0.00 N ATOM 702 CA VAL A 52 -6.165 8.579 -4.133 1.00 0.00 C ATOM 703 C VAL A 52 -6.359 7.494 -3.079 1.00 0.00 C ATOM 704 O VAL A 52 -7.488 7.152 -2.727 1.00 0.00 O ATOM 705 CB VAL A 52 -7.011 9.808 -3.750 1.00 0.00 C ATOM 706 CG1 VAL A 52 -6.729 10.225 -2.315 1.00 0.00 C ATOM 707 CG2 VAL A 52 -6.744 10.958 -4.710 1.00 0.00 C ATOM 0 H VAL A 52 -7.494 7.848 -5.580 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.114 8.866 -4.165 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.065 9.539 -3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.336 11.095 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.975 9.403 -1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.674 10.476 -2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.350 11.818 -4.425 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.689 11.228 -4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.002 10.653 -5.724 1.00 0.00 H new ATOM 717 N ILE A 53 -5.251 6.958 -2.580 1.00 0.00 N ATOM 718 CA ILE A 53 -5.299 5.912 -1.565 1.00 0.00 C ATOM 719 C ILE A 53 -5.871 6.444 -0.255 1.00 0.00 C ATOM 720 O ILE A 53 -5.267 7.295 0.399 1.00 0.00 O ATOM 721 CB ILE A 53 -3.902 5.320 -1.299 1.00 0.00 C ATOM 722 CG1 ILE A 53 -3.223 4.948 -2.619 1.00 0.00 C ATOM 723 CG2 ILE A 53 -4.006 4.106 -0.389 1.00 0.00 C ATOM 724 CD1 ILE A 53 -3.522 3.537 -3.075 1.00 0.00 C ATOM 0 H ILE A 53 -4.309 7.230 -2.861 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.949 5.127 -1.951 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.293 6.073 -0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.543 5.647 -3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.145 5.065 -2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.011 3.699 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.454 4.400 0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.628 3.348 -0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.008 3.342 -4.016 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.177 2.830 -2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.596 3.421 -3.217 1.00 0.00 H new ATOM 736 N LEU A 54 -7.039 5.936 0.123 1.00 0.00 N ATOM 737 CA LEU A 54 -7.693 6.358 1.357 1.00 0.00 C ATOM 738 C LEU A 54 -7.190 5.545 2.546 1.00 0.00 C ATOM 739 O LEU A 54 -6.897 6.095 3.607 1.00 0.00 O ATOM 740 CB LEU A 54 -9.210 6.210 1.229 1.00 0.00 C ATOM 741 CG LEU A 54 -9.917 7.260 0.371 1.00 0.00 C ATOM 742 CD1 LEU A 54 -11.374 6.883 0.158 1.00 0.00 C ATOM 743 CD2 LEU A 54 -9.809 8.635 1.015 1.00 0.00 C ATOM 0 H LEU A 54 -7.552 5.232 -0.407 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.449 7.406 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.425 5.226 0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.643 6.235 2.229 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.427 7.296 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.860 7.642 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.430 5.918 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -11.878 6.818 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.318 9.370 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.273 8.613 2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.759 8.909 1.115 1.00 0.00 H new ATOM 755 N ALA A 55 -7.090 4.233 2.359 1.00 0.00 N ATOM 756 CA ALA A 55 -6.619 3.345 3.414 1.00 0.00 C ATOM 757 C ALA A 55 -5.825 2.178 2.835 1.00 0.00 C ATOM 758 O ALA A 55 -6.217 1.588 1.828 1.00 0.00 O ATOM 759 CB ALA A 55 -7.792 2.832 4.236 1.00 0.00 C ATOM 0 H ALA A 55 -7.329 3.762 1.486 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.956 3.915 4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.425 2.170 5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.316 3.674 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.477 2.284 3.590 1.00 0.00 H new ATOM 765 N ILE A 56 -4.709 1.851 3.478 1.00 0.00 N ATOM 766 CA ILE A 56 -3.861 0.755 3.027 1.00 0.00 C ATOM 767 C ILE A 56 -3.980 -0.450 3.954 1.00 0.00 C ATOM 768 O ILE A 56 -3.694 -0.358 5.148 1.00 0.00 O ATOM 769 CB ILE A 56 -2.384 1.182 2.945 1.00 0.00 C ATOM 770 CG1 ILE A 56 -2.211 2.307 1.923 1.00 0.00 C ATOM 771 CG2 ILE A 56 -1.508 -0.008 2.585 1.00 0.00 C ATOM 772 CD1 ILE A 56 -0.874 3.008 2.016 1.00 0.00 C ATOM 0 H ILE A 56 -4.371 2.330 4.313 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.206 0.479 2.031 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.074 1.554 3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.328 1.897 0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.006 3.039 2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.467 0.310 2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.612 -0.780 3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.816 -0.408 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.822 3.793 1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.762 3.448 3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.073 2.288 1.846 1.00 0.00 H new ATOM 784 N ASP A 57 -4.403 -1.579 3.397 1.00 0.00 N ATOM 785 CA ASP A 57 -4.557 -2.804 4.173 1.00 0.00 C ATOM 786 C ASP A 57 -5.406 -2.557 5.415 1.00 0.00 C ATOM 787 O ASP A 57 -5.177 -3.154 6.466 1.00 0.00 O ATOM 788 CB ASP A 57 -3.188 -3.353 4.577 1.00 0.00 C ATOM 789 CG ASP A 57 -2.631 -4.329 3.559 1.00 0.00 C ATOM 790 OD1 ASP A 57 -3.167 -4.381 2.432 1.00 0.00 O ATOM 791 OD2 ASP A 57 -1.660 -5.040 3.889 1.00 0.00 O ATOM 0 H ASP A 57 -4.646 -1.672 2.411 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.064 -3.539 3.548 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.490 -2.525 4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.270 -3.849 5.544 1.00 0.00 H new ATOM 796 N GLY A 58 -6.389 -1.670 5.287 1.00 0.00 N ATOM 797 CA GLY A 58 -7.257 -1.358 6.408 1.00 0.00 C ATOM 798 C GLY A 58 -6.671 -0.297 7.317 1.00 0.00 C ATOM 799 O GLY A 58 -6.958 -0.267 8.514 1.00 0.00 O ATOM 0 H GLY A 58 -6.599 -1.162 4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.222 -1.018 6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.441 -2.265 6.984 1.00 0.00 H new ATOM 803 N PHE A 59 -5.846 0.577 6.750 1.00 0.00 N ATOM 804 CA PHE A 59 -5.216 1.644 7.518 1.00 0.00 C ATOM 805 C PHE A 59 -5.321 2.978 6.785 1.00 0.00 C ATOM 806 O PHE A 59 -4.584 3.235 5.834 1.00 0.00 O ATOM 807 CB PHE A 59 -3.747 1.310 7.785 1.00 0.00 C ATOM 808 CG PHE A 59 -3.555 0.195 8.774 1.00 0.00 C ATOM 809 CD1 PHE A 59 -3.635 0.438 10.135 1.00 0.00 C ATOM 810 CD2 PHE A 59 -3.296 -1.095 8.341 1.00 0.00 C ATOM 811 CE1 PHE A 59 -3.459 -0.585 11.047 1.00 0.00 C ATOM 812 CE2 PHE A 59 -3.118 -2.123 9.249 1.00 0.00 C ATOM 813 CZ PHE A 59 -3.201 -1.867 10.603 1.00 0.00 C ATOM 0 H PHE A 59 -5.598 0.567 5.761 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.741 1.731 8.469 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.268 1.037 6.845 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.241 2.202 8.153 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.837 1.439 10.488 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.232 -1.300 7.283 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.523 -0.382 12.106 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.914 -3.124 8.899 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.064 -2.668 11.314 1.00 0.00 H new ATOM 823 N GLY A 60 -6.243 3.823 7.234 1.00 0.00 N ATOM 824 CA GLY A 60 -6.429 5.119 6.609 1.00 0.00 C ATOM 825 C GLY A 60 -5.165 5.956 6.624 1.00 0.00 C ATOM 826 O GLY A 60 -4.386 5.903 7.576 1.00 0.00 O ATOM 0 H GLY A 60 -6.865 3.633 8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.756 4.979 5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.224 5.657 7.125 1.00 0.00 H new ATOM 830 N THR A 61 -4.959 6.732 5.564 1.00 0.00 N ATOM 831 CA THR A 61 -3.780 7.582 5.457 1.00 0.00 C ATOM 832 C THR A 61 -3.986 8.903 6.188 1.00 0.00 C ATOM 833 O THR A 61 -3.496 9.945 5.755 1.00 0.00 O ATOM 834 CB THR A 61 -3.428 7.872 3.985 1.00 0.00 C ATOM 835 OG1 THR A 61 -4.429 8.711 3.399 1.00 0.00 O ATOM 836 CG2 THR A 61 -3.313 6.579 3.191 1.00 0.00 C ATOM 0 H THR A 61 -5.594 6.789 4.768 1.00 0.00 H new ATOM 0 HA THR A 61 -2.956 7.039 5.920 1.00 0.00 H new ATOM 0 HB THR A 61 -2.465 8.382 3.958 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.198 8.892 2.464 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.064 6.809 2.155 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.530 5.955 3.623 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.263 6.045 3.226 1.00 0.00 H new ATOM 844 N GLU A 62 -4.713 8.852 7.300 1.00 0.00 N ATOM 845 CA GLU A 62 -4.983 10.046 8.091 1.00 0.00 C ATOM 846 C GLU A 62 -3.725 10.515 8.817 1.00 0.00 C ATOM 847 O GLU A 62 -3.443 11.711 8.884 1.00 0.00 O ATOM 848 CB GLU A 62 -6.097 9.773 9.104 1.00 0.00 C ATOM 849 CG GLU A 62 -5.680 8.845 10.232 1.00 0.00 C ATOM 850 CD GLU A 62 -6.802 8.587 11.220 1.00 0.00 C ATOM 851 OE1 GLU A 62 -7.790 7.927 10.836 1.00 0.00 O ATOM 852 OE2 GLU A 62 -6.691 9.045 12.376 1.00 0.00 O ATOM 0 H GLU A 62 -5.125 7.997 7.673 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.305 10.835 7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.431 10.720 9.528 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.951 9.338 8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.345 7.896 9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.830 9.278 10.759 1.00 0.00 H new ATOM 859 N SER A 63 -2.973 9.562 9.359 1.00 0.00 N ATOM 860 CA SER A 63 -1.747 9.876 10.084 1.00 0.00 C ATOM 861 C SER A 63 -0.592 9.005 9.600 1.00 0.00 C ATOM 862 O SER A 63 0.363 8.757 10.336 1.00 0.00 O ATOM 863 CB SER A 63 -1.954 9.681 11.587 1.00 0.00 C ATOM 864 OG SER A 63 -1.129 10.558 12.334 1.00 0.00 O ATOM 0 H SER A 63 -3.191 8.567 9.310 1.00 0.00 H new ATOM 0 HA SER A 63 -1.497 10.919 9.892 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.000 9.858 11.839 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.731 8.649 11.857 1.00 0.00 H new ATOM 0 HG SER A 63 -1.281 10.414 13.291 1.00 0.00 H new ATOM 870 N MET A 64 -0.687 8.542 8.358 1.00 0.00 N ATOM 871 CA MET A 64 0.350 7.699 7.775 1.00 0.00 C ATOM 872 C MET A 64 1.108 8.447 6.683 1.00 0.00 C ATOM 873 O MET A 64 0.565 8.724 5.613 1.00 0.00 O ATOM 874 CB MET A 64 -0.265 6.421 7.202 1.00 0.00 C ATOM 875 CG MET A 64 0.551 5.807 6.075 1.00 0.00 C ATOM 876 SD MET A 64 -0.297 4.432 5.274 1.00 0.00 S ATOM 877 CE MET A 64 -1.209 3.746 6.654 1.00 0.00 C ATOM 0 H MET A 64 -1.472 8.736 7.736 1.00 0.00 H new ATOM 0 HA MET A 64 1.054 7.433 8.564 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.373 5.689 8.002 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.267 6.642 6.835 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.773 6.574 5.333 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.506 5.460 6.470 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.657 2.797 6.359 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.532 3.582 7.492 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.995 4.440 6.952 1.00 0.00 H new ATOM 887 N THR A 65 2.367 8.773 6.959 1.00 0.00 N ATOM 888 CA THR A 65 3.199 9.490 6.001 1.00 0.00 C ATOM 889 C THR A 65 3.704 8.558 4.906 1.00 0.00 C ATOM 890 O THR A 65 3.714 7.337 5.071 1.00 0.00 O ATOM 891 CB THR A 65 4.405 10.154 6.691 1.00 0.00 C ATOM 892 OG1 THR A 65 5.366 9.160 7.062 1.00 0.00 O ATOM 893 CG2 THR A 65 3.965 10.926 7.926 1.00 0.00 C ATOM 0 H THR A 65 2.833 8.552 7.839 1.00 0.00 H new ATOM 0 HA THR A 65 2.573 10.264 5.556 1.00 0.00 H new ATOM 0 HB THR A 65 4.858 10.852 5.987 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.130 9.591 7.499 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.834 11.386 8.396 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.256 11.702 7.637 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.489 10.244 8.631 1.00 0.00 H new ATOM 901 N HIS A 66 4.125 9.140 3.787 1.00 0.00 N ATOM 902 CA HIS A 66 4.633 8.360 2.664 1.00 0.00 C ATOM 903 C HIS A 66 5.560 7.249 3.150 1.00 0.00 C ATOM 904 O HIS A 66 5.341 6.074 2.858 1.00 0.00 O ATOM 905 CB HIS A 66 5.376 9.266 1.682 1.00 0.00 C ATOM 906 CG HIS A 66 5.319 8.786 0.264 1.00 0.00 C ATOM 907 ND1 HIS A 66 4.152 8.376 -0.346 1.00 0.00 N ATOM 908 CD2 HIS A 66 6.295 8.652 -0.665 1.00 0.00 C ATOM 909 CE1 HIS A 66 4.413 8.009 -1.588 1.00 0.00 C ATOM 910 NE2 HIS A 66 5.706 8.168 -1.807 1.00 0.00 N ATOM 0 H HIS A 66 4.124 10.148 3.634 1.00 0.00 H new ATOM 0 HA HIS A 66 3.783 7.904 2.155 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.953 10.269 1.735 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.419 9.343 1.989 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.342 8.883 -0.532 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.692 7.641 -2.303 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.188 7.964 -2.682 1.00 0.00 H new ATOM 919 N ALA A 67 6.595 7.630 3.891 1.00 0.00 N ATOM 920 CA ALA A 67 7.553 6.666 4.417 1.00 0.00 C ATOM 921 C ALA A 67 6.846 5.537 5.157 1.00 0.00 C ATOM 922 O ALA A 67 7.224 4.371 5.038 1.00 0.00 O ATOM 923 CB ALA A 67 8.548 7.360 5.336 1.00 0.00 C ATOM 0 H ALA A 67 6.791 8.599 4.141 1.00 0.00 H new ATOM 0 HA ALA A 67 8.093 6.231 3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.258 6.629 5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.085 8.127 4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.015 7.822 6.167 1.00 0.00 H new ATOM 929 N ASP A 68 5.818 5.889 5.922 1.00 0.00 N ATOM 930 CA ASP A 68 5.057 4.904 6.682 1.00 0.00 C ATOM 931 C ASP A 68 4.343 3.931 5.748 1.00 0.00 C ATOM 932 O ASP A 68 4.368 2.719 5.962 1.00 0.00 O ATOM 933 CB ASP A 68 4.040 5.601 7.587 1.00 0.00 C ATOM 934 CG ASP A 68 4.607 5.923 8.955 1.00 0.00 C ATOM 935 OD1 ASP A 68 5.675 6.568 9.018 1.00 0.00 O ATOM 936 OD2 ASP A 68 3.983 5.531 9.963 1.00 0.00 O ATOM 0 H ASP A 68 5.493 6.849 6.032 1.00 0.00 H new ATOM 0 HA ASP A 68 5.755 4.340 7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.705 6.522 7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.163 4.964 7.701 1.00 0.00 H new ATOM 941 N ALA A 69 3.708 4.470 4.713 1.00 0.00 N ATOM 942 CA ALA A 69 2.988 3.650 3.747 1.00 0.00 C ATOM 943 C ALA A 69 3.905 2.602 3.126 1.00 0.00 C ATOM 944 O ALA A 69 3.468 1.499 2.797 1.00 0.00 O ATOM 945 CB ALA A 69 2.375 4.526 2.664 1.00 0.00 C ATOM 0 H ALA A 69 3.678 5.471 4.522 1.00 0.00 H new ATOM 0 HA ALA A 69 2.188 3.129 4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.840 3.900 1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.681 5.233 3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.164 5.073 2.148 1.00 0.00 H new ATOM 951 N GLN A 70 5.177 2.953 2.968 1.00 0.00 N ATOM 952 CA GLN A 70 6.154 2.042 2.385 1.00 0.00 C ATOM 953 C GLN A 70 6.308 0.788 3.240 1.00 0.00 C ATOM 954 O GLN A 70 6.491 -0.312 2.719 1.00 0.00 O ATOM 955 CB GLN A 70 7.507 2.739 2.234 1.00 0.00 C ATOM 956 CG GLN A 70 7.419 4.097 1.557 1.00 0.00 C ATOM 957 CD GLN A 70 7.608 4.014 0.055 1.00 0.00 C ATOM 958 OE1 GLN A 70 7.661 2.924 -0.516 1.00 0.00 O ATOM 959 NE2 GLN A 70 7.711 5.167 -0.594 1.00 0.00 N ATOM 0 H GLN A 70 5.555 3.862 3.236 1.00 0.00 H new ATOM 0 HA GLN A 70 5.794 1.746 1.400 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.955 2.862 3.220 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.175 2.098 1.658 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.449 4.544 1.773 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.176 4.759 1.979 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.662 6.047 -0.081 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.840 5.173 -1.606 1.00 0.00 H new ATOM 968 N ASP A 71 6.232 0.962 4.555 1.00 0.00 N ATOM 969 CA ASP A 71 6.361 -0.155 5.483 1.00 0.00 C ATOM 970 C ASP A 71 5.072 -0.968 5.538 1.00 0.00 C ATOM 971 O ASP A 71 5.043 -2.068 6.090 1.00 0.00 O ATOM 972 CB ASP A 71 6.718 0.353 6.881 1.00 0.00 C ATOM 973 CG ASP A 71 7.568 -0.634 7.657 1.00 0.00 C ATOM 974 OD1 ASP A 71 7.399 -1.853 7.448 1.00 0.00 O ATOM 975 OD2 ASP A 71 8.400 -0.187 8.473 1.00 0.00 O ATOM 0 H ASP A 71 6.082 1.866 5.002 1.00 0.00 H new ATOM 0 HA ASP A 71 7.162 -0.801 5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.252 1.299 6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.802 0.554 7.436 1.00 0.00 H new ATOM 980 N ARG A 72 4.007 -0.419 4.963 1.00 0.00 N ATOM 981 CA ARG A 72 2.714 -1.092 4.949 1.00 0.00 C ATOM 982 C ARG A 72 2.533 -1.895 3.664 1.00 0.00 C ATOM 983 O ARG A 72 1.991 -3.001 3.682 1.00 0.00 O ATOM 984 CB ARG A 72 1.582 -0.072 5.089 1.00 0.00 C ATOM 985 CG ARG A 72 1.240 0.263 6.531 1.00 0.00 C ATOM 986 CD ARG A 72 0.186 -0.681 7.088 1.00 0.00 C ATOM 987 NE ARG A 72 -0.239 -0.297 8.431 1.00 0.00 N ATOM 988 CZ ARG A 72 0.430 -0.616 9.533 1.00 0.00 C ATOM 989 NH1 ARG A 72 1.550 -1.322 9.452 1.00 0.00 N ATOM 990 NH2 ARG A 72 -0.020 -0.230 10.720 1.00 0.00 N ATOM 0 H ARG A 72 4.014 0.490 4.501 1.00 0.00 H new ATOM 0 HA ARG A 72 2.681 -1.779 5.795 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.863 0.844 4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.692 -0.460 4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.141 0.206 7.142 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.879 1.290 6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.678 -0.692 6.424 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.584 -1.696 7.110 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.097 0.246 8.528 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.899 -1.621 8.542 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.062 -1.566 10.300 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.881 0.313 10.787 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.495 -0.476 11.565 1.00 0.00 H new ATOM 1004 N ILE A 73 2.990 -1.331 2.551 1.00 0.00 N ATOM 1005 CA ILE A 73 2.879 -1.995 1.258 1.00 0.00 C ATOM 1006 C ILE A 73 3.847 -3.168 1.157 1.00 0.00 C ATOM 1007 O ILE A 73 3.538 -4.193 0.549 1.00 0.00 O ATOM 1008 CB ILE A 73 3.151 -1.018 0.099 1.00 0.00 C ATOM 1009 CG1 ILE A 73 2.045 0.037 0.021 1.00 0.00 C ATOM 1010 CG2 ILE A 73 3.261 -1.775 -1.217 1.00 0.00 C ATOM 1011 CD1 ILE A 73 2.379 1.197 -0.890 1.00 0.00 C ATOM 0 H ILE A 73 3.440 -0.416 2.519 1.00 0.00 H new ATOM 0 HA ILE A 73 1.856 -2.364 1.180 1.00 0.00 H new ATOM 0 HB ILE A 73 4.098 -0.511 0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.127 -0.436 -0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.846 0.418 1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.453 -1.071 -2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.080 -2.492 -1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.329 -2.305 -1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.550 1.905 -0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.279 1.695 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.549 0.828 -1.902 1.00 0.00 H new ATOM 1023 N LYS A 74 5.022 -3.012 1.759 1.00 0.00 N ATOM 1024 CA LYS A 74 6.037 -4.059 1.741 1.00 0.00 C ATOM 1025 C LYS A 74 5.741 -5.121 2.794 1.00 0.00 C ATOM 1026 O LYS A 74 5.982 -6.308 2.577 1.00 0.00 O ATOM 1027 CB LYS A 74 7.423 -3.458 1.983 1.00 0.00 C ATOM 1028 CG LYS A 74 7.682 -3.089 3.433 1.00 0.00 C ATOM 1029 CD LYS A 74 9.163 -2.883 3.701 1.00 0.00 C ATOM 1030 CE LYS A 74 9.640 -1.533 3.188 1.00 0.00 C ATOM 1031 NZ LYS A 74 11.123 -1.410 3.245 1.00 0.00 N ATOM 0 H LYS A 74 5.295 -2.170 2.266 1.00 0.00 H new ATOM 0 HA LYS A 74 6.019 -4.531 0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.181 -4.171 1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.537 -2.568 1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.137 -2.178 3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.300 -3.876 4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.353 -2.954 4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.735 -3.678 3.222 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.304 -1.396 2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.187 -0.739 3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.408 -0.476 2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.443 -1.516 4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.556 -2.152 2.659 1.00 0.00 H new ATOM 1045 N ALA A 75 5.216 -4.687 3.935 1.00 0.00 N ATOM 1046 CA ALA A 75 4.884 -5.602 5.021 1.00 0.00 C ATOM 1047 C ALA A 75 3.429 -6.051 4.934 1.00 0.00 C ATOM 1048 O ALA A 75 2.917 -6.706 5.842 1.00 0.00 O ATOM 1049 CB ALA A 75 5.157 -4.946 6.366 1.00 0.00 C ATOM 0 H ALA A 75 5.011 -3.707 4.132 1.00 0.00 H new ATOM 0 HA ALA A 75 5.516 -6.485 4.926 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.905 -5.640 7.167 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.212 -4.681 6.434 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.550 -4.046 6.462 1.00 0.00 H new ATOM 1055 N ALA A 76 2.769 -5.695 3.838 1.00 0.00 N ATOM 1056 CA ALA A 76 1.373 -6.063 3.633 1.00 0.00 C ATOM 1057 C ALA A 76 1.171 -7.565 3.803 1.00 0.00 C ATOM 1058 O ALA A 76 2.115 -8.299 4.097 1.00 0.00 O ATOM 1059 CB ALA A 76 0.907 -5.619 2.254 1.00 0.00 C ATOM 0 H ALA A 76 3.178 -5.152 3.078 1.00 0.00 H new ATOM 0 HA ALA A 76 0.774 -5.554 4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.137 -5.900 2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.006 -4.537 2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.518 -6.101 1.491 1.00 0.00 H new ATOM 1065 N SER A 77 -0.066 -8.015 3.618 1.00 0.00 N ATOM 1066 CA SER A 77 -0.393 -9.430 3.755 1.00 0.00 C ATOM 1067 C SER A 77 -0.558 -10.085 2.387 1.00 0.00 C ATOM 1068 O SER A 77 -0.444 -9.426 1.353 1.00 0.00 O ATOM 1069 CB SER A 77 -1.674 -9.601 4.574 1.00 0.00 C ATOM 1070 OG SER A 77 -1.684 -10.846 5.251 1.00 0.00 O ATOM 0 H SER A 77 -0.858 -7.421 3.373 1.00 0.00 H new ATOM 0 HA SER A 77 0.430 -9.920 4.275 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.758 -8.790 5.297 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.541 -9.534 3.917 1.00 0.00 H new ATOM 0 HG SER A 77 -2.185 -11.502 4.723 1.00 0.00 H new ATOM 1076 N TYR A 78 -0.827 -11.386 2.390 1.00 0.00 N ATOM 1077 CA TYR A 78 -1.006 -12.132 1.151 1.00 0.00 C ATOM 1078 C TYR A 78 -1.892 -11.364 0.175 1.00 0.00 C ATOM 1079 O TYR A 78 -1.780 -11.524 -1.040 1.00 0.00 O ATOM 1080 CB TYR A 78 -1.617 -13.504 1.440 1.00 0.00 C ATOM 1081 CG TYR A 78 -2.674 -13.480 2.522 1.00 0.00 C ATOM 1082 CD1 TYR A 78 -3.996 -13.174 2.222 1.00 0.00 C ATOM 1083 CD2 TYR A 78 -2.350 -13.765 3.843 1.00 0.00 C ATOM 1084 CE1 TYR A 78 -4.964 -13.150 3.207 1.00 0.00 C ATOM 1085 CE2 TYR A 78 -3.312 -13.745 4.834 1.00 0.00 C ATOM 1086 CZ TYR A 78 -4.617 -13.436 4.511 1.00 0.00 C ATOM 1087 OH TYR A 78 -5.579 -13.415 5.495 1.00 0.00 O ATOM 0 H TYR A 78 -0.926 -11.945 3.237 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.026 -12.267 0.694 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.056 -13.897 0.523 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.824 -14.191 1.734 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.271 -12.951 1.202 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.329 -14.006 4.099 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.987 -12.909 2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -3.044 -13.970 5.856 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.170 -13.640 6.357 1.00 0.00 H new ATOM 1097 N GLN A 79 -2.772 -10.528 0.717 1.00 0.00 N ATOM 1098 CA GLN A 79 -3.678 -9.734 -0.104 1.00 0.00 C ATOM 1099 C GLN A 79 -3.690 -8.278 0.350 1.00 0.00 C ATOM 1100 O GLN A 79 -3.797 -7.989 1.542 1.00 0.00 O ATOM 1101 CB GLN A 79 -5.093 -10.311 -0.044 1.00 0.00 C ATOM 1102 CG GLN A 79 -5.664 -10.376 1.363 1.00 0.00 C ATOM 1103 CD GLN A 79 -7.100 -10.863 1.389 1.00 0.00 C ATOM 1104 OE1 GLN A 79 -7.454 -11.822 0.703 1.00 0.00 O ATOM 1105 NE2 GLN A 79 -7.935 -10.203 2.182 1.00 0.00 N ATOM 0 H GLN A 79 -2.877 -10.383 1.721 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.322 -9.771 -1.133 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.751 -9.704 -0.666 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.086 -11.314 -0.471 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.048 -11.040 1.970 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.612 -9.387 1.818 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.598 -9.414 2.733 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.913 -10.485 2.240 1.00 0.00 H new ATOM 1114 N LEU A 80 -3.579 -7.364 -0.608 1.00 0.00 N ATOM 1115 CA LEU A 80 -3.577 -5.937 -0.307 1.00 0.00 C ATOM 1116 C LEU A 80 -4.958 -5.330 -0.534 1.00 0.00 C ATOM 1117 O LEU A 80 -5.527 -5.445 -1.620 1.00 0.00 O ATOM 1118 CB LEU A 80 -2.542 -5.215 -1.171 1.00 0.00 C ATOM 1119 CG LEU A 80 -2.459 -3.698 -0.993 1.00 0.00 C ATOM 1120 CD1 LEU A 80 -1.613 -3.349 0.222 1.00 0.00 C ATOM 1121 CD2 LEU A 80 -1.893 -3.044 -2.245 1.00 0.00 C ATOM 0 H LEU A 80 -3.489 -7.586 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.314 -5.813 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.561 -5.640 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.761 -5.426 -2.218 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.466 -3.315 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.565 -2.266 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.061 -3.786 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.606 -3.745 0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.841 -1.965 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.893 -3.433 -2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.539 -3.265 -3.095 1.00 0.00 H new ATOM 1133 N CYS A 81 -5.491 -4.684 0.497 1.00 0.00 N ATOM 1134 CA CYS A 81 -6.805 -4.057 0.410 1.00 0.00 C ATOM 1135 C CYS A 81 -6.692 -2.540 0.508 1.00 0.00 C ATOM 1136 O CYS A 81 -6.508 -1.989 1.595 1.00 0.00 O ATOM 1137 CB CYS A 81 -7.719 -4.585 1.517 1.00 0.00 C ATOM 1138 SG CYS A 81 -8.637 -6.077 1.068 1.00 0.00 S ATOM 0 H CYS A 81 -5.034 -4.581 1.403 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.236 -4.309 -0.559 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -7.117 -4.794 2.401 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -8.428 -3.804 1.791 1.00 0.00 H new ATOM 0 HG CYS A 81 -9.379 -6.447 2.069 1.00 0.00 H new ATOM 1144 N LEU A 82 -6.802 -1.869 -0.633 1.00 0.00 N ATOM 1145 CA LEU A 82 -6.710 -0.413 -0.676 1.00 0.00 C ATOM 1146 C LEU A 82 -8.051 0.206 -1.058 1.00 0.00 C ATOM 1147 O LEU A 82 -8.708 -0.241 -1.998 1.00 0.00 O ATOM 1148 CB LEU A 82 -5.633 0.020 -1.673 1.00 0.00 C ATOM 1149 CG LEU A 82 -4.273 -0.666 -1.532 1.00 0.00 C ATOM 1150 CD1 LEU A 82 -3.333 -0.220 -2.641 1.00 0.00 C ATOM 1151 CD2 LEU A 82 -3.668 -0.373 -0.167 1.00 0.00 C ATOM 0 H LEU A 82 -6.955 -2.309 -1.540 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.438 -0.061 0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.006 -0.161 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.487 1.096 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.419 -1.743 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.371 -0.718 -2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.762 -0.481 -3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.192 0.859 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.701 -0.869 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.536 0.703 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.334 -0.743 0.613 1.00 0.00 H new ATOM 1163 N LYS A 83 -8.450 1.239 -0.324 1.00 0.00 N ATOM 1164 CA LYS A 83 -9.710 1.923 -0.587 1.00 0.00 C ATOM 1165 C LYS A 83 -9.478 3.206 -1.379 1.00 0.00 C ATOM 1166 O LYS A 83 -8.740 4.090 -0.944 1.00 0.00 O ATOM 1167 CB LYS A 83 -10.424 2.245 0.728 1.00 0.00 C ATOM 1168 CG LYS A 83 -11.911 2.508 0.565 1.00 0.00 C ATOM 1169 CD LYS A 83 -12.617 2.566 1.909 1.00 0.00 C ATOM 1170 CE LYS A 83 -12.637 3.981 2.467 1.00 0.00 C ATOM 1171 NZ LYS A 83 -13.844 4.734 2.028 1.00 0.00 N ATOM 0 H LYS A 83 -7.918 1.621 0.458 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.338 1.259 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.284 1.415 1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.957 3.119 1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.059 3.448 0.034 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.355 1.723 -0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.639 2.202 1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.115 1.903 2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.610 3.942 3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.741 4.511 2.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.820 5.693 2.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.858 4.793 0.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.699 4.242 2.358 1.00 0.00 H new ATOM 1185 N ILE A 84 -10.115 3.301 -2.542 1.00 0.00 N ATOM 1186 CA ILE A 84 -9.979 4.478 -3.392 1.00 0.00 C ATOM 1187 C ILE A 84 -11.226 5.352 -3.324 1.00 0.00 C ATOM 1188 O ILE A 84 -12.331 4.859 -3.094 1.00 0.00 O ATOM 1189 CB ILE A 84 -9.720 4.085 -4.858 1.00 0.00 C ATOM 1190 CG1 ILE A 84 -10.781 3.094 -5.339 1.00 0.00 C ATOM 1191 CG2 ILE A 84 -8.327 3.493 -5.010 1.00 0.00 C ATOM 1192 CD1 ILE A 84 -10.968 3.090 -6.840 1.00 0.00 C ATOM 0 H ILE A 84 -10.729 2.578 -2.917 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.124 5.041 -3.018 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.782 4.982 -5.475 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.504 2.091 -5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.732 3.333 -4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.159 3.220 -6.052 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.584 4.229 -4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.239 2.605 -4.384 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.735 2.364 -7.109 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -11.275 4.082 -7.171 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.029 2.821 -7.323 1.00 0.00 H new ATOM 1204 N ASP A 85 -11.043 6.652 -3.527 1.00 0.00 N ATOM 1205 CA ASP A 85 -12.154 7.596 -3.492 1.00 0.00 C ATOM 1206 C ASP A 85 -12.996 7.490 -4.759 1.00 0.00 C ATOM 1207 O ASP A 85 -14.175 7.846 -4.764 1.00 0.00 O ATOM 1208 CB ASP A 85 -11.633 9.024 -3.328 1.00 0.00 C ATOM 1209 CG ASP A 85 -12.676 10.065 -3.683 1.00 0.00 C ATOM 1210 OD1 ASP A 85 -12.998 10.197 -4.883 1.00 0.00 O ATOM 1211 OD2 ASP A 85 -13.170 10.748 -2.762 1.00 0.00 O ATOM 0 H ASP A 85 -10.135 7.076 -3.718 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.783 7.348 -2.637 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.310 9.174 -2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.756 9.162 -3.960 1.00 0.00 H new ATOM 1216 N ARG A 86 -12.384 7.001 -5.832 1.00 0.00 N ATOM 1217 CA ARG A 86 -13.077 6.851 -7.106 1.00 0.00 C ATOM 1218 C ARG A 86 -13.437 8.213 -7.692 1.00 0.00 C ATOM 1219 O ARG A 86 -14.544 8.412 -8.191 1.00 0.00 O ATOM 1220 CB ARG A 86 -14.342 6.010 -6.926 1.00 0.00 C ATOM 1221 CG ARG A 86 -14.723 5.211 -8.162 1.00 0.00 C ATOM 1222 CD ARG A 86 -15.602 4.022 -7.807 1.00 0.00 C ATOM 1223 NE ARG A 86 -15.618 3.018 -8.868 1.00 0.00 N ATOM 1224 CZ ARG A 86 -16.584 2.118 -9.013 1.00 0.00 C ATOM 1225 NH1 ARG A 86 -17.607 2.096 -8.169 1.00 0.00 N ATOM 1226 NH2 ARG A 86 -16.528 1.237 -10.003 1.00 0.00 N ATOM 0 H ARG A 86 -11.409 6.702 -5.845 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.407 6.342 -7.799 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -14.197 5.324 -6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.170 6.667 -6.659 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -15.249 5.856 -8.866 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.820 4.861 -8.663 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -15.242 3.568 -6.884 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -16.619 4.366 -7.618 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.845 3.008 -9.534 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -17.653 2.771 -7.406 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -18.347 1.404 -8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.743 1.250 -10.654 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.270 0.546 -10.114 1.00 0.00 H new