USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 960 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 81 MET CE :methyl 158:sc= -1.86 (180deg=-2.36!) USER MOD Set 1.2: A 82 THR OG1 : rot -170:sc= -0.059 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 13 SER OG : rot -85:sc= 0.669! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 147:sc= -1.95 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.063 USER MOD Single : A 32 THR OG1 : rot 80:sc= -2.2! USER MOD Single : A 35 ASN : amide:sc= -3.94 K(o=-3.9,f=-5.4!) USER MOD Single : A 37 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.068) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= -0.0546 (180deg=-0.0546) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -130:sc= -0.478 USER MOD Single : A 57 MET CE :methyl 151:sc= -0.0915 (180deg=-0.755) USER MOD Single : A 60 MET CE :methyl -154:sc= -0.857 (180deg=-2.24) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.279 K(o=-0.28,f=-1.7) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.194 K(o=-0.19,f=-0.78) USER MOD Single : A 73 HIS : no HE2:sc= -12.9! C(o=-13!,f=-13!) USER MOD Single : A 75 MET CE :methyl -159:sc= -0.0634 (180deg=-0.409) USER MOD Single : A 84 HIS : no HD1:sc= -1.04 X(o=-1,f=-0.62) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0.576 K(o=0.58,f=-0.43) USER MOD Single : A 96 GLN : amide:sc= -2.21 K(o=-2.2,f=-10!) USER MOD Single : A 101 TYR OH : rot 180:sc= -3.31! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= 0.224 K(o=0.22,f=-0.76) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc=-0.00338 K(o=-0.0034,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.852 -18.593 3.136 1.00 0.00 N ATOM 2 CA MET A 1 12.290 -17.795 2.014 1.00 0.00 C ATOM 3 C MET A 1 11.806 -16.432 2.496 1.00 0.00 C ATOM 4 O MET A 1 10.666 -16.287 2.936 1.00 0.00 O ATOM 5 CB MET A 1 11.132 -18.577 1.391 1.00 0.00 C ATOM 6 CG MET A 1 10.918 -18.274 -0.084 1.00 0.00 C ATOM 7 SD MET A 1 11.410 -19.636 -1.156 1.00 0.00 S ATOM 8 CE MET A 1 9.931 -20.645 -1.122 1.00 0.00 C ATOM 0 H1 MET A 1 13.173 -19.515 2.779 1.00 0.00 H new ATOM 0 H2 MET A 1 13.657 -18.084 3.555 1.00 0.00 H new ATOM 0 H3 MET A 1 12.119 -18.738 3.860 1.00 0.00 H new ATOM 0 HA MET A 1 13.069 -17.623 1.272 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.319 -19.644 1.511 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.216 -18.350 1.937 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.866 -18.046 -0.254 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.485 -17.383 -0.353 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.080 -21.529 -1.741 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.723 -20.951 -0.097 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.089 -20.070 -1.507 1.00 0.00 H new ATOM 20 N GLN A 2 12.682 -15.434 2.412 1.00 0.00 N ATOM 21 CA GLN A 2 12.346 -14.080 2.838 1.00 0.00 C ATOM 22 C GLN A 2 11.295 -13.466 1.928 1.00 0.00 C ATOM 23 O GLN A 2 10.160 -13.219 2.338 1.00 0.00 O ATOM 24 CB GLN A 2 13.599 -13.204 2.855 1.00 0.00 C ATOM 25 CG GLN A 2 13.552 -12.093 3.891 1.00 0.00 C ATOM 26 CD GLN A 2 14.165 -12.505 5.215 1.00 0.00 C ATOM 27 OE1 GLN A 2 14.068 -13.662 5.625 1.00 0.00 O ATOM 28 NE2 GLN A 2 14.803 -11.557 5.890 1.00 0.00 N ATOM 0 H GLN A 2 13.631 -15.539 2.052 1.00 0.00 H new ATOM 0 HA GLN A 2 11.935 -14.136 3.846 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.469 -13.832 3.048 1.00 0.00 H new ATOM 0 HB3 GLN A 2 13.737 -12.763 1.868 1.00 0.00 H new ATOM 0 HG2 GLN A 2 14.079 -11.220 3.507 1.00 0.00 H new ATOM 0 HG3 GLN A 2 12.516 -11.794 4.052 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.859 -10.611 5.512 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.238 -11.774 6.787 1.00 0.00 H new ATOM 37 N ARG A 3 11.689 -13.222 0.692 1.00 0.00 N ATOM 38 CA ARG A 3 10.799 -12.634 -0.304 1.00 0.00 C ATOM 39 C ARG A 3 10.258 -11.287 0.167 1.00 0.00 C ATOM 40 O ARG A 3 9.046 -11.089 0.263 1.00 0.00 O ATOM 41 CB ARG A 3 9.641 -13.581 -0.615 1.00 0.00 C ATOM 42 CG ARG A 3 8.954 -13.276 -1.939 1.00 0.00 C ATOM 43 CD ARG A 3 8.921 -14.497 -2.846 1.00 0.00 C ATOM 44 NE ARG A 3 10.221 -14.754 -3.462 1.00 0.00 N ATOM 45 CZ ARG A 3 10.407 -14.959 -4.766 1.00 0.00 C ATOM 46 NH1 ARG A 3 9.378 -14.952 -5.606 1.00 0.00 N ATOM 47 NH2 ARG A 3 11.630 -15.175 -5.233 1.00 0.00 N ATOM 0 H ARG A 3 12.628 -13.423 0.347 1.00 0.00 H new ATOM 0 HA ARG A 3 11.379 -12.472 -1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 3 10.013 -14.605 -0.634 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.907 -13.523 0.189 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.936 -12.934 -1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.476 -12.462 -2.442 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.614 -15.369 -2.269 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.173 -14.350 -3.625 1.00 0.00 H new ATOM 0 HE ARG A 3 11.040 -14.778 -2.854 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.434 -14.789 -5.255 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.532 -15.110 -6.602 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.425 -15.184 -4.595 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.775 -15.332 -6.230 1.00 0.00 H new ATOM 61 N GLY A 4 11.164 -10.356 0.443 1.00 0.00 N ATOM 62 CA GLY A 4 10.756 -9.036 0.882 1.00 0.00 C ATOM 63 C GLY A 4 10.389 -8.149 -0.289 1.00 0.00 C ATOM 64 O GLY A 4 11.228 -7.411 -0.804 1.00 0.00 O ATOM 0 H GLY A 4 12.172 -10.492 0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.903 -9.123 1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.564 -8.575 1.450 1.00 0.00 H new ATOM 68 N ILE A 5 9.136 -8.238 -0.725 1.00 0.00 N ATOM 69 CA ILE A 5 8.672 -7.450 -1.858 1.00 0.00 C ATOM 70 C ILE A 5 7.661 -6.395 -1.418 1.00 0.00 C ATOM 71 O ILE A 5 6.545 -6.721 -1.006 1.00 0.00 O ATOM 72 CB ILE A 5 8.016 -8.345 -2.933 1.00 0.00 C ATOM 73 CG1 ILE A 5 8.775 -9.672 -3.094 1.00 0.00 C ATOM 74 CG2 ILE A 5 7.949 -7.607 -4.264 1.00 0.00 C ATOM 75 CD1 ILE A 5 10.285 -9.541 -3.058 1.00 0.00 C ATOM 0 H ILE A 5 8.428 -8.845 -0.312 1.00 0.00 H new ATOM 0 HA ILE A 5 9.549 -6.960 -2.281 1.00 0.00 H new ATOM 0 HB ILE A 5 7.003 -8.577 -2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.463 -10.353 -2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.485 -10.129 -4.040 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.485 -8.249 -5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.357 -6.699 -4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.957 -7.345 -4.586 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.739 -10.525 -3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.613 -8.888 -3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.591 -9.115 -2.102 1.00 0.00 H new ATOM 87 N VAL A 6 8.048 -5.127 -1.521 1.00 0.00 N ATOM 88 CA VAL A 6 7.164 -4.030 -1.148 1.00 0.00 C ATOM 89 C VAL A 6 6.689 -3.284 -2.385 1.00 0.00 C ATOM 90 O VAL A 6 7.493 -2.821 -3.190 1.00 0.00 O ATOM 91 CB VAL A 6 7.848 -3.030 -0.193 1.00 0.00 C ATOM 92 CG1 VAL A 6 9.131 -2.493 -0.805 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.895 -1.890 0.156 1.00 0.00 C ATOM 0 H VAL A 6 8.965 -4.835 -1.859 1.00 0.00 H new ATOM 0 HA VAL A 6 6.315 -4.475 -0.629 1.00 0.00 H new ATOM 0 HB VAL A 6 8.107 -3.554 0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.597 -1.790 -0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.815 -3.319 -0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.902 -1.985 -1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.393 -1.193 0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.604 -1.368 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.007 -2.294 0.642 1.00 0.00 H new ATOM 103 N TRP A 7 5.376 -3.171 -2.536 1.00 0.00 N ATOM 104 CA TRP A 7 4.805 -2.479 -3.681 1.00 0.00 C ATOM 105 C TRP A 7 4.055 -1.228 -3.234 1.00 0.00 C ATOM 106 O TRP A 7 3.326 -1.247 -2.242 1.00 0.00 O ATOM 107 CB TRP A 7 3.895 -3.425 -4.468 1.00 0.00 C ATOM 108 CG TRP A 7 4.660 -4.304 -5.416 1.00 0.00 C ATOM 109 CD1 TRP A 7 6.008 -4.527 -5.413 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.130 -5.080 -6.497 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.351 -5.373 -6.437 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.216 -5.731 -7.113 1.00 0.00 C ATOM 113 CE3 TRP A 7 2.846 -5.283 -7.007 1.00 0.00 C ATOM 114 CZ2 TRP A 7 5.053 -6.569 -8.214 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.686 -6.115 -8.097 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.784 -6.750 -8.690 1.00 0.00 C ATOM 0 H TRP A 7 4.690 -3.548 -1.882 1.00 0.00 H new ATOM 0 HA TRP A 7 5.613 -2.160 -4.340 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.335 -4.049 -3.771 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.166 -2.840 -5.028 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.703 -4.099 -4.706 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.297 -5.684 -6.658 1.00 0.00 H new ATOM 0 HE3 TRP A 7 1.993 -4.798 -6.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 5.898 -7.058 -8.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.697 -6.279 -8.499 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.625 -7.396 -9.541 1.00 0.00 H new ATOM 127 N VAL A 8 4.267 -0.134 -3.959 1.00 0.00 N ATOM 128 CA VAL A 8 3.643 1.142 -3.628 1.00 0.00 C ATOM 129 C VAL A 8 2.889 1.721 -4.823 1.00 0.00 C ATOM 130 O VAL A 8 3.316 1.580 -5.960 1.00 0.00 O ATOM 131 CB VAL A 8 4.699 2.182 -3.180 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.104 3.179 -2.195 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.932 1.504 -2.585 1.00 0.00 C ATOM 0 H VAL A 8 4.868 -0.106 -4.782 1.00 0.00 H new ATOM 0 HA VAL A 8 2.946 0.943 -2.814 1.00 0.00 H new ATOM 0 HB VAL A 8 5.015 2.730 -4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.868 3.897 -1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.275 3.706 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.742 2.649 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.653 2.263 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.639 0.913 -1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.385 0.852 -3.332 1.00 0.00 H new ATOM 143 N VAL A 9 1.786 2.407 -4.564 1.00 0.00 N ATOM 144 CA VAL A 9 1.027 3.035 -5.637 1.00 0.00 C ATOM 145 C VAL A 9 0.952 4.540 -5.393 1.00 0.00 C ATOM 146 O VAL A 9 0.337 4.991 -4.428 1.00 0.00 O ATOM 147 CB VAL A 9 -0.396 2.453 -5.782 1.00 0.00 C ATOM 148 CG1 VAL A 9 -1.098 3.085 -6.972 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.358 0.934 -5.933 1.00 0.00 C ATOM 0 H VAL A 9 1.399 2.543 -3.630 1.00 0.00 H new ATOM 0 HA VAL A 9 1.550 2.828 -6.571 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.954 2.685 -4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.101 2.668 -7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.165 4.163 -6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.532 2.878 -7.880 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.374 0.553 -6.033 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.217 0.671 -6.821 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.110 0.493 -5.053 1.00 0.00 H new ATOM 159 N ASP A 10 1.607 5.308 -6.260 1.00 0.00 N ATOM 160 CA ASP A 10 1.643 6.760 -6.118 1.00 0.00 C ATOM 161 C ASP A 10 2.047 7.428 -7.432 1.00 0.00 C ATOM 162 O ASP A 10 1.900 6.844 -8.504 1.00 0.00 O ATOM 163 CB ASP A 10 2.626 7.135 -5.000 1.00 0.00 C ATOM 164 CG ASP A 10 3.981 6.480 -5.182 1.00 0.00 C ATOM 165 OD1 ASP A 10 4.523 6.540 -6.307 1.00 0.00 O ATOM 166 OD2 ASP A 10 4.503 5.909 -4.201 1.00 0.00 O ATOM 0 H ASP A 10 2.119 4.950 -7.066 1.00 0.00 H new ATOM 0 HA ASP A 10 0.646 7.115 -5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.749 8.218 -4.975 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.208 6.839 -4.038 1.00 0.00 H new ATOM 171 N ASP A 11 2.547 8.660 -7.344 1.00 0.00 N ATOM 172 CA ASP A 11 2.960 9.411 -8.525 1.00 0.00 C ATOM 173 C ASP A 11 4.305 8.926 -9.076 1.00 0.00 C ATOM 174 O ASP A 11 4.962 9.643 -9.832 1.00 0.00 O ATOM 175 CB ASP A 11 3.045 10.903 -8.194 1.00 0.00 C ATOM 176 CG ASP A 11 2.640 11.779 -9.363 1.00 0.00 C ATOM 177 OD1 ASP A 11 3.257 11.651 -10.443 1.00 0.00 O ATOM 178 OD2 ASP A 11 1.709 12.593 -9.200 1.00 0.00 O ATOM 0 H ASP A 11 2.675 9.159 -6.464 1.00 0.00 H new ATOM 0 HA ASP A 11 2.207 9.245 -9.296 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.402 11.120 -7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.064 11.149 -7.896 1.00 0.00 H new ATOM 183 N ASP A 12 4.706 7.710 -8.706 1.00 0.00 N ATOM 184 CA ASP A 12 5.962 7.131 -9.175 1.00 0.00 C ATOM 185 C ASP A 12 7.124 8.126 -9.072 1.00 0.00 C ATOM 186 O ASP A 12 7.075 9.066 -8.279 1.00 0.00 O ATOM 187 CB ASP A 12 5.802 6.623 -10.615 1.00 0.00 C ATOM 188 CG ASP A 12 5.608 7.747 -11.616 1.00 0.00 C ATOM 189 OD1 ASP A 12 6.508 8.606 -11.731 1.00 0.00 O ATOM 190 OD2 ASP A 12 4.554 7.767 -12.285 1.00 0.00 O ATOM 0 H ASP A 12 4.175 7.105 -8.079 1.00 0.00 H new ATOM 0 HA ASP A 12 6.205 6.289 -8.527 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.683 6.044 -10.891 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.948 5.947 -10.664 1.00 0.00 H new ATOM 195 N SER A 13 8.161 7.913 -9.889 1.00 0.00 N ATOM 196 CA SER A 13 9.330 8.776 -9.918 1.00 0.00 C ATOM 197 C SER A 13 9.710 9.319 -8.537 1.00 0.00 C ATOM 198 O SER A 13 10.428 8.667 -7.782 1.00 0.00 O ATOM 199 CB SER A 13 9.070 9.899 -10.909 1.00 0.00 C ATOM 200 OG SER A 13 8.095 10.807 -10.424 1.00 0.00 O ATOM 0 H SER A 13 8.206 7.135 -10.547 1.00 0.00 H new ATOM 0 HA SER A 13 10.189 8.186 -10.237 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.999 10.433 -11.107 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.736 9.478 -11.858 1.00 0.00 H new ATOM 0 HG SER A 13 7.200 10.474 -10.645 1.00 0.00 H new ATOM 206 N SER A 14 9.240 10.519 -8.225 1.00 0.00 N ATOM 207 CA SER A 14 9.546 11.161 -6.949 1.00 0.00 C ATOM 208 C SER A 14 9.222 10.255 -5.763 1.00 0.00 C ATOM 209 O SER A 14 10.108 9.886 -4.993 1.00 0.00 O ATOM 210 CB SER A 14 8.772 12.473 -6.818 1.00 0.00 C ATOM 211 OG SER A 14 9.558 13.466 -6.184 1.00 0.00 O ATOM 0 H SER A 14 8.642 11.072 -8.840 1.00 0.00 H new ATOM 0 HA SER A 14 10.617 11.363 -6.936 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.469 12.820 -7.806 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.860 12.305 -6.245 1.00 0.00 H new ATOM 0 HG SER A 14 9.042 14.296 -6.113 1.00 0.00 H new ATOM 217 N ILE A 15 7.952 9.901 -5.619 1.00 0.00 N ATOM 218 CA ILE A 15 7.527 9.043 -4.521 1.00 0.00 C ATOM 219 C ILE A 15 8.161 7.663 -4.628 1.00 0.00 C ATOM 220 O ILE A 15 8.306 6.953 -3.632 1.00 0.00 O ATOM 221 CB ILE A 15 5.994 8.891 -4.473 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.314 10.257 -4.602 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.572 8.211 -3.179 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.576 11.178 -3.430 1.00 0.00 C ATOM 0 H ILE A 15 7.201 10.193 -6.245 1.00 0.00 H new ATOM 0 HA ILE A 15 7.859 9.525 -3.602 1.00 0.00 H new ATOM 0 HB ILE A 15 5.682 8.270 -5.313 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.658 10.740 -5.517 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.239 10.110 -4.704 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.487 8.110 -3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.030 7.223 -3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.897 8.812 -2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.063 12.126 -3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.206 10.716 -2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.648 11.356 -3.339 1.00 0.00 H new ATOM 236 N ARG A 16 8.544 7.291 -5.841 1.00 0.00 N ATOM 237 CA ARG A 16 9.169 5.998 -6.084 1.00 0.00 C ATOM 238 C ARG A 16 10.618 5.999 -5.618 1.00 0.00 C ATOM 239 O ARG A 16 11.050 5.104 -4.895 1.00 0.00 O ATOM 240 CB ARG A 16 9.114 5.650 -7.573 1.00 0.00 C ATOM 241 CG ARG A 16 9.583 4.236 -7.877 1.00 0.00 C ATOM 242 CD ARG A 16 10.128 4.113 -9.290 1.00 0.00 C ATOM 243 NE ARG A 16 9.654 2.896 -9.944 1.00 0.00 N ATOM 244 CZ ARG A 16 9.940 1.669 -9.516 1.00 0.00 C ATOM 245 NH1 ARG A 16 10.730 1.490 -8.464 1.00 0.00 N ATOM 246 NH2 ARG A 16 9.440 0.615 -10.145 1.00 0.00 N ATOM 0 H ARG A 16 8.433 7.868 -6.675 1.00 0.00 H new ATOM 0 HA ARG A 16 8.617 5.249 -5.517 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.091 5.771 -7.930 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.731 6.357 -8.128 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.355 3.948 -7.163 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.753 3.542 -7.746 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.826 4.982 -9.874 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.218 4.111 -9.262 1.00 0.00 H new ATOM 0 HE ARG A 16 9.071 2.992 -10.775 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.122 2.296 -7.978 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.945 0.546 -8.142 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.836 0.745 -10.957 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.659 -0.326 -9.817 1.00 0.00 H new ATOM 260 N TRP A 17 11.367 7.006 -6.057 1.00 0.00 N ATOM 261 CA TRP A 17 12.775 7.125 -5.708 1.00 0.00 C ATOM 262 C TRP A 17 12.990 7.206 -4.199 1.00 0.00 C ATOM 263 O TRP A 17 13.965 6.665 -3.677 1.00 0.00 O ATOM 264 CB TRP A 17 13.395 8.350 -6.381 1.00 0.00 C ATOM 265 CG TRP A 17 14.890 8.340 -6.325 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.735 7.654 -7.147 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.717 9.038 -5.389 1.00 0.00 C ATOM 268 NE1 TRP A 17 17.040 7.884 -6.781 1.00 0.00 N ATOM 269 CE2 TRP A 17 17.054 8.732 -5.704 1.00 0.00 C ATOM 270 CE3 TRP A 17 15.457 9.895 -4.315 1.00 0.00 C ATOM 271 CZ2 TRP A 17 18.126 9.249 -4.984 1.00 0.00 C ATOM 272 CZ3 TRP A 17 16.523 10.409 -3.601 1.00 0.00 C ATOM 273 CH2 TRP A 17 17.843 10.084 -3.938 1.00 0.00 C ATOM 0 H TRP A 17 11.019 7.753 -6.657 1.00 0.00 H new ATOM 0 HA TRP A 17 13.267 6.222 -6.069 1.00 0.00 H new ATOM 0 HB2 TRP A 17 13.074 8.390 -7.422 1.00 0.00 H new ATOM 0 HB3 TRP A 17 13.023 9.253 -5.898 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.424 7.022 -7.966 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.863 7.489 -7.236 1.00 0.00 H new ATOM 0 HE3 TRP A 17 14.442 10.150 -4.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 19.145 9.000 -5.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 16.335 11.072 -2.770 1.00 0.00 H new ATOM 0 HH2 TRP A 17 18.654 10.501 -3.360 1.00 0.00 H new ATOM 284 N VAL A 18 12.091 7.893 -3.503 1.00 0.00 N ATOM 285 CA VAL A 18 12.212 8.049 -2.058 1.00 0.00 C ATOM 286 C VAL A 18 11.974 6.744 -1.315 1.00 0.00 C ATOM 287 O VAL A 18 12.690 6.413 -0.370 1.00 0.00 O ATOM 288 CB VAL A 18 11.238 9.109 -1.513 1.00 0.00 C ATOM 289 CG1 VAL A 18 11.591 9.458 -0.077 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.243 10.354 -2.386 1.00 0.00 C ATOM 0 H VAL A 18 11.275 8.348 -3.913 1.00 0.00 H new ATOM 0 HA VAL A 18 13.238 8.374 -1.884 1.00 0.00 H new ATOM 0 HB VAL A 18 10.231 8.692 -1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.895 10.209 0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.526 8.563 0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.606 9.853 -0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.546 11.087 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.246 10.780 -2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.940 10.089 -3.399 1.00 0.00 H new ATOM 300 N LEU A 19 10.949 6.022 -1.728 1.00 0.00 N ATOM 301 CA LEU A 19 10.594 4.766 -1.081 1.00 0.00 C ATOM 302 C LEU A 19 11.406 3.590 -1.610 1.00 0.00 C ATOM 303 O LEU A 19 11.608 2.603 -0.904 1.00 0.00 O ATOM 304 CB LEU A 19 9.098 4.484 -1.241 1.00 0.00 C ATOM 305 CG LEU A 19 8.368 4.138 0.057 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.525 5.261 1.070 1.00 0.00 C ATOM 307 CD2 LEU A 19 6.898 3.863 -0.217 1.00 0.00 C ATOM 0 H LEU A 19 10.346 6.281 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 19 10.831 4.877 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.623 5.358 -1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.971 3.660 -1.943 1.00 0.00 H new ATOM 0 HG LEU A 19 8.813 3.235 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.999 4.999 1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.583 5.410 1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.105 6.181 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.393 3.618 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.438 4.748 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.807 3.025 -0.908 1.00 0.00 H new ATOM 319 N GLU A 20 11.857 3.680 -2.852 1.00 0.00 N ATOM 320 CA GLU A 20 12.624 2.593 -3.443 1.00 0.00 C ATOM 321 C GLU A 20 13.986 2.433 -2.778 1.00 0.00 C ATOM 322 O GLU A 20 14.292 1.383 -2.217 1.00 0.00 O ATOM 323 CB GLU A 20 12.770 2.768 -4.961 1.00 0.00 C ATOM 324 CG GLU A 20 13.746 3.841 -5.404 1.00 0.00 C ATOM 325 CD GLU A 20 13.726 4.055 -6.904 1.00 0.00 C ATOM 326 OE1 GLU A 20 12.618 4.138 -7.476 1.00 0.00 O ATOM 327 OE2 GLU A 20 14.816 4.136 -7.507 1.00 0.00 O ATOM 0 H GLU A 20 11.708 4.483 -3.464 1.00 0.00 H new ATOM 0 HA GLU A 20 12.063 1.675 -3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.084 1.816 -5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.790 2.998 -5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.504 4.778 -4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.753 3.564 -5.092 1.00 0.00 H new ATOM 334 N ARG A 21 14.798 3.470 -2.854 1.00 0.00 N ATOM 335 CA ARG A 21 16.136 3.445 -2.273 1.00 0.00 C ATOM 336 C ARG A 21 16.096 3.194 -0.769 1.00 0.00 C ATOM 337 O ARG A 21 16.778 2.302 -0.264 1.00 0.00 O ATOM 338 CB ARG A 21 16.858 4.758 -2.569 1.00 0.00 C ATOM 339 CG ARG A 21 17.223 4.925 -4.036 1.00 0.00 C ATOM 340 CD ARG A 21 18.708 4.704 -4.271 1.00 0.00 C ATOM 341 NE ARG A 21 19.078 4.926 -5.667 1.00 0.00 N ATOM 342 CZ ARG A 21 19.547 3.977 -6.480 1.00 0.00 C ATOM 343 NH1 ARG A 21 19.709 2.731 -6.048 1.00 0.00 N ATOM 344 NH2 ARG A 21 19.857 4.278 -7.732 1.00 0.00 N ATOM 0 H ARG A 21 14.557 4.348 -3.314 1.00 0.00 H new ATOM 0 HA ARG A 21 16.682 2.619 -2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 21 16.225 5.590 -2.262 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.766 4.809 -1.968 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.650 4.219 -4.637 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.946 5.925 -4.369 1.00 0.00 H new ATOM 0 HD2 ARG A 21 19.281 5.377 -3.632 1.00 0.00 H new ATOM 0 HD3 ARG A 21 18.974 3.687 -3.982 1.00 0.00 H new ATOM 0 HE ARG A 21 18.971 5.867 -6.045 1.00 0.00 H new ATOM 0 HH11 ARG A 21 19.474 2.490 -5.085 1.00 0.00 H new ATOM 0 HH12 ARG A 21 20.068 2.015 -6.679 1.00 0.00 H new ATOM 0 HH21 ARG A 21 19.737 5.232 -8.072 1.00 0.00 H new ATOM 0 HH22 ARG A 21 20.216 3.556 -8.356 1.00 0.00 H new ATOM 358 N ALA A 22 15.305 3.985 -0.053 1.00 0.00 N ATOM 359 CA ALA A 22 15.194 3.841 1.395 1.00 0.00 C ATOM 360 C ALA A 22 14.781 2.433 1.779 1.00 0.00 C ATOM 361 O ALA A 22 15.431 1.783 2.598 1.00 0.00 O ATOM 362 CB ALA A 22 14.212 4.858 1.963 1.00 0.00 C ATOM 0 H ALA A 22 14.733 4.730 -0.449 1.00 0.00 H new ATOM 0 HA ALA A 22 16.178 4.031 1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.144 4.734 3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.559 5.866 1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.229 4.703 1.517 1.00 0.00 H new ATOM 368 N LEU A 23 13.704 1.971 1.179 1.00 0.00 N ATOM 369 CA LEU A 23 13.205 0.633 1.449 1.00 0.00 C ATOM 370 C LEU A 23 14.175 -0.413 0.911 1.00 0.00 C ATOM 371 O LEU A 23 14.240 -1.537 1.411 1.00 0.00 O ATOM 372 CB LEU A 23 11.813 0.449 0.841 1.00 0.00 C ATOM 373 CG LEU A 23 10.924 -0.612 1.503 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.248 -0.774 2.982 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.459 -0.252 1.324 1.00 0.00 C ATOM 0 H LEU A 23 13.155 2.500 0.501 1.00 0.00 H new ATOM 0 HA LEU A 23 13.125 0.501 2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.292 1.406 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.929 0.191 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 23 11.124 -1.565 1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.598 -1.534 3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.288 -1.079 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.090 0.175 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.837 -1.012 1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.263 0.716 1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.224 -0.202 0.261 1.00 0.00 H new ATOM 387 N ALA A 24 14.954 -0.024 -0.092 1.00 0.00 N ATOM 388 CA ALA A 24 15.941 -0.920 -0.659 1.00 0.00 C ATOM 389 C ALA A 24 17.033 -1.163 0.367 1.00 0.00 C ATOM 390 O ALA A 24 17.566 -2.267 0.479 1.00 0.00 O ATOM 391 CB ALA A 24 16.525 -0.352 -1.945 1.00 0.00 C ATOM 0 H ALA A 24 14.918 0.900 -0.523 1.00 0.00 H new ATOM 0 HA ALA A 24 15.462 -1.866 -0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.263 -1.046 -2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.728 -0.207 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.004 0.605 -1.736 1.00 0.00 H new ATOM 397 N GLY A 25 17.342 -0.122 1.140 1.00 0.00 N ATOM 398 CA GLY A 25 18.346 -0.250 2.174 1.00 0.00 C ATOM 399 C GLY A 25 17.928 -1.260 3.223 1.00 0.00 C ATOM 400 O GLY A 25 18.767 -1.867 3.885 1.00 0.00 O ATOM 0 H GLY A 25 16.915 0.801 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.293 -0.555 1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.512 0.719 2.645 1.00 0.00 H new ATOM 404 N ALA A 26 16.614 -1.444 3.365 1.00 0.00 N ATOM 405 CA ALA A 26 16.074 -2.390 4.327 1.00 0.00 C ATOM 406 C ALA A 26 16.200 -3.824 3.817 1.00 0.00 C ATOM 407 O ALA A 26 16.092 -4.777 4.589 1.00 0.00 O ATOM 408 CB ALA A 26 14.622 -2.061 4.638 1.00 0.00 C ATOM 0 H ALA A 26 15.908 -0.947 2.822 1.00 0.00 H new ATOM 0 HA ALA A 26 16.655 -2.307 5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.233 -2.779 5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.558 -1.056 5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.033 -2.112 3.722 1.00 0.00 H new ATOM 414 N GLY A 27 16.451 -3.973 2.516 1.00 0.00 N ATOM 415 CA GLY A 27 16.612 -5.297 1.945 1.00 0.00 C ATOM 416 C GLY A 27 15.378 -5.824 1.231 1.00 0.00 C ATOM 417 O GLY A 27 15.193 -7.038 1.143 1.00 0.00 O ATOM 0 H GLY A 27 16.545 -3.204 1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.444 -5.278 1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.882 -5.992 2.740 1.00 0.00 H new ATOM 421 N LEU A 28 14.527 -4.937 0.719 1.00 0.00 N ATOM 422 CA LEU A 28 13.324 -5.378 0.024 1.00 0.00 C ATOM 423 C LEU A 28 13.214 -4.764 -1.369 1.00 0.00 C ATOM 424 O LEU A 28 13.973 -3.865 -1.728 1.00 0.00 O ATOM 425 CB LEU A 28 12.070 -5.037 0.833 1.00 0.00 C ATOM 426 CG LEU A 28 12.292 -4.818 2.327 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.605 -3.372 2.604 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.078 -5.267 3.119 1.00 0.00 C ATOM 0 H LEU A 28 14.646 -3.925 0.771 1.00 0.00 H new ATOM 0 HA LEU A 28 13.401 -6.460 -0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.622 -4.136 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.346 -5.842 0.705 1.00 0.00 H new ATOM 0 HG LEU A 28 13.144 -5.420 2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.761 -3.232 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.508 -3.086 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.773 -2.750 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.256 -5.103 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.206 -4.694 2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.899 -6.327 2.941 1.00 0.00 H new ATOM 440 N THR A 29 12.249 -5.256 -2.146 1.00 0.00 N ATOM 441 CA THR A 29 12.021 -4.754 -3.498 1.00 0.00 C ATOM 442 C THR A 29 10.854 -3.769 -3.502 1.00 0.00 C ATOM 443 O THR A 29 9.694 -4.166 -3.400 1.00 0.00 O ATOM 444 CB THR A 29 11.740 -5.918 -4.456 1.00 0.00 C ATOM 445 OG1 THR A 29 12.896 -6.723 -4.618 1.00 0.00 O ATOM 446 CG2 THR A 29 11.296 -5.481 -5.837 1.00 0.00 C ATOM 0 H THR A 29 11.614 -6.001 -1.861 1.00 0.00 H new ATOM 0 HA THR A 29 12.918 -4.235 -3.836 1.00 0.00 H new ATOM 0 HB THR A 29 10.924 -6.473 -3.992 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.697 -7.461 -5.231 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.117 -6.360 -6.457 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.377 -4.900 -5.757 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.074 -4.869 -6.293 1.00 0.00 H new ATOM 454 N CYS A 30 11.180 -2.487 -3.608 1.00 0.00 N ATOM 455 CA CYS A 30 10.173 -1.431 -3.608 1.00 0.00 C ATOM 456 C CYS A 30 9.870 -0.945 -5.021 1.00 0.00 C ATOM 457 O CYS A 30 10.700 -0.295 -5.656 1.00 0.00 O ATOM 458 CB CYS A 30 10.653 -0.266 -2.749 1.00 0.00 C ATOM 459 SG CYS A 30 9.497 1.122 -2.665 1.00 0.00 S ATOM 0 H CYS A 30 12.139 -2.151 -3.696 1.00 0.00 H new ATOM 0 HA CYS A 30 9.252 -1.841 -3.193 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.841 -0.628 -1.738 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.605 0.092 -3.142 1.00 0.00 H new ATOM 0 HG CYS A 30 9.579 1.685 -1.496 1.00 0.00 H new ATOM 465 N THR A 31 8.665 -1.235 -5.495 1.00 0.00 N ATOM 466 CA THR A 31 8.243 -0.796 -6.816 1.00 0.00 C ATOM 467 C THR A 31 6.958 0.002 -6.661 1.00 0.00 C ATOM 468 O THR A 31 6.168 -0.265 -5.756 1.00 0.00 O ATOM 469 CB THR A 31 8.039 -1.988 -7.763 1.00 0.00 C ATOM 470 OG1 THR A 31 8.120 -1.566 -9.112 1.00 0.00 O ATOM 471 CG2 THR A 31 6.704 -2.675 -7.604 1.00 0.00 C ATOM 0 H THR A 31 7.964 -1.772 -4.984 1.00 0.00 H new ATOM 0 HA THR A 31 9.019 -0.172 -7.260 1.00 0.00 H new ATOM 0 HB THR A 31 8.829 -2.692 -7.500 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.990 -2.336 -9.704 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.636 -3.505 -8.307 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.608 -3.052 -6.586 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.903 -1.964 -7.804 1.00 0.00 H new ATOM 479 N THR A 32 6.754 0.996 -7.509 1.00 0.00 N ATOM 480 CA THR A 32 5.568 1.828 -7.402 1.00 0.00 C ATOM 481 C THR A 32 4.671 1.721 -8.630 1.00 0.00 C ATOM 482 O THR A 32 5.067 1.173 -9.657 1.00 0.00 O ATOM 483 CB THR A 32 5.977 3.268 -7.146 1.00 0.00 C ATOM 484 OG1 THR A 32 6.738 3.764 -8.227 1.00 0.00 O ATOM 485 CG2 THR A 32 6.800 3.417 -5.883 1.00 0.00 C ATOM 0 H THR A 32 7.386 1.244 -8.270 1.00 0.00 H new ATOM 0 HA THR A 32 4.978 1.466 -6.560 1.00 0.00 H new ATOM 0 HB THR A 32 5.053 3.835 -7.032 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.138 4.024 -8.957 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.067 4.465 -5.744 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.218 3.075 -5.027 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.707 2.819 -5.967 1.00 0.00 H new ATOM 493 N PHE A 33 3.440 2.217 -8.497 1.00 0.00 N ATOM 494 CA PHE A 33 2.465 2.142 -9.580 1.00 0.00 C ATOM 495 C PHE A 33 1.712 3.467 -9.769 1.00 0.00 C ATOM 496 O PHE A 33 1.836 4.381 -8.954 1.00 0.00 O ATOM 497 CB PHE A 33 1.484 1.011 -9.278 1.00 0.00 C ATOM 498 CG PHE A 33 2.142 -0.340 -9.142 1.00 0.00 C ATOM 499 CD1 PHE A 33 3.029 -0.595 -8.108 1.00 0.00 C ATOM 500 CD2 PHE A 33 1.880 -1.352 -10.052 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.643 -1.826 -7.985 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.489 -2.586 -9.934 1.00 0.00 C ATOM 503 CZ PHE A 33 3.374 -2.825 -8.900 1.00 0.00 C ATOM 0 H PHE A 33 3.097 2.673 -7.652 1.00 0.00 H new ATOM 0 HA PHE A 33 2.995 1.944 -10.512 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.951 1.241 -8.355 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.740 0.965 -10.073 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.243 0.181 -7.388 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.191 -1.173 -10.864 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.333 -2.007 -7.174 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.273 -3.365 -10.650 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.853 -3.789 -8.808 1.00 0.00 H new ATOM 513 N GLU A 34 0.942 3.567 -10.861 1.00 0.00 N ATOM 514 CA GLU A 34 0.184 4.785 -11.171 1.00 0.00 C ATOM 515 C GLU A 34 -0.963 5.018 -10.190 1.00 0.00 C ATOM 516 O GLU A 34 -1.065 6.089 -9.591 1.00 0.00 O ATOM 517 CB GLU A 34 -0.361 4.724 -12.603 1.00 0.00 C ATOM 518 CG GLU A 34 -1.323 3.572 -12.855 1.00 0.00 C ATOM 519 CD GLU A 34 -2.781 3.956 -12.716 1.00 0.00 C ATOM 520 OE1 GLU A 34 -3.153 5.062 -13.162 1.00 0.00 O ATOM 521 OE2 GLU A 34 -3.552 3.138 -12.164 1.00 0.00 O ATOM 0 H GLU A 34 0.828 2.818 -11.544 1.00 0.00 H new ATOM 0 HA GLU A 34 0.874 5.624 -11.077 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.869 5.662 -12.827 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.477 4.641 -13.296 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.153 3.181 -13.858 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.101 2.765 -12.157 1.00 0.00 H new ATOM 528 N ASN A 35 -1.826 4.021 -10.029 1.00 0.00 N ATOM 529 CA ASN A 35 -2.955 4.135 -9.122 1.00 0.00 C ATOM 530 C ASN A 35 -3.420 2.760 -8.662 1.00 0.00 C ATOM 531 O ASN A 35 -2.831 1.740 -9.022 1.00 0.00 O ATOM 532 CB ASN A 35 -4.112 4.890 -9.780 1.00 0.00 C ATOM 533 CG ASN A 35 -3.739 6.313 -10.150 1.00 0.00 C ATOM 534 OD1 ASN A 35 -3.160 6.560 -11.207 1.00 0.00 O ATOM 535 ND2 ASN A 35 -4.067 7.256 -9.275 1.00 0.00 N ATOM 0 H ASN A 35 -1.763 3.127 -10.516 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.626 4.701 -8.250 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.428 4.356 -10.676 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.965 4.906 -9.101 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.839 8.231 -9.467 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.547 7.005 -8.411 1.00 0.00 H new ATOM 542 N GLY A 36 -4.465 2.742 -7.851 1.00 0.00 N ATOM 543 CA GLY A 36 -4.981 1.492 -7.330 1.00 0.00 C ATOM 544 C GLY A 36 -5.242 0.437 -8.393 1.00 0.00 C ATOM 545 O GLY A 36 -5.402 -0.736 -8.062 1.00 0.00 O ATOM 0 H GLY A 36 -4.968 3.574 -7.542 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.272 1.093 -6.604 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.909 1.690 -6.794 1.00 0.00 H new ATOM 549 N ASN A 37 -5.305 0.837 -9.662 1.00 0.00 N ATOM 550 CA ASN A 37 -5.567 -0.110 -10.734 1.00 0.00 C ATOM 551 C ASN A 37 -4.292 -0.791 -11.224 1.00 0.00 C ATOM 552 O ASN A 37 -4.305 -1.963 -11.598 1.00 0.00 O ATOM 553 CB ASN A 37 -6.285 0.581 -11.893 1.00 0.00 C ATOM 554 CG ASN A 37 -7.739 0.153 -12.003 1.00 0.00 C ATOM 555 OD1 ASN A 37 -8.271 0.003 -13.103 1.00 0.00 O ATOM 556 ND2 ASN A 37 -8.391 -0.044 -10.859 1.00 0.00 N ATOM 0 H ASN A 37 -5.179 1.802 -9.967 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.214 -0.888 -10.329 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.235 1.661 -11.757 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.769 0.353 -12.826 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.370 -0.331 -10.873 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.912 0.092 -9.969 1.00 0.00 H new ATOM 563 N GLU A 38 -3.199 -0.041 -11.250 1.00 0.00 N ATOM 564 CA GLU A 38 -1.924 -0.563 -11.729 1.00 0.00 C ATOM 565 C GLU A 38 -1.483 -1.828 -10.996 1.00 0.00 C ATOM 566 O GLU A 38 -1.331 -2.877 -11.624 1.00 0.00 O ATOM 567 CB GLU A 38 -0.853 0.497 -11.585 1.00 0.00 C ATOM 568 CG GLU A 38 0.330 0.315 -12.524 1.00 0.00 C ATOM 569 CD GLU A 38 0.222 1.164 -13.776 1.00 0.00 C ATOM 570 OE1 GLU A 38 -0.758 0.986 -14.530 1.00 0.00 O ATOM 571 OE2 GLU A 38 1.116 2.005 -14.003 1.00 0.00 O ATOM 0 H GLU A 38 -3.168 0.932 -10.945 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.066 -0.829 -12.776 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.299 1.475 -11.764 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.491 0.495 -10.557 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.249 0.569 -11.996 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.405 -0.735 -12.808 1.00 0.00 H new ATOM 578 N VAL A 39 -1.256 -1.745 -9.681 1.00 0.00 N ATOM 579 CA VAL A 39 -0.814 -2.923 -8.936 1.00 0.00 C ATOM 580 C VAL A 39 -1.693 -4.129 -9.249 1.00 0.00 C ATOM 581 O VAL A 39 -1.222 -5.263 -9.254 1.00 0.00 O ATOM 582 CB VAL A 39 -0.790 -2.676 -7.416 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.607 -3.985 -6.667 1.00 0.00 C ATOM 584 CG2 VAL A 39 0.318 -1.701 -7.055 1.00 0.00 C ATOM 0 H VAL A 39 -1.368 -0.898 -9.125 1.00 0.00 H new ATOM 0 HA VAL A 39 0.207 -3.130 -9.258 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.745 -2.240 -7.122 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.592 -3.791 -5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.432 -4.658 -6.903 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.334 -4.446 -6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.322 -1.537 -5.977 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.279 -2.113 -7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.149 -0.753 -7.566 1.00 0.00 H new ATOM 594 N LEU A 40 -2.965 -3.876 -9.520 1.00 0.00 N ATOM 595 CA LEU A 40 -3.898 -4.949 -9.846 1.00 0.00 C ATOM 596 C LEU A 40 -3.428 -5.696 -11.089 1.00 0.00 C ATOM 597 O LEU A 40 -3.495 -6.924 -11.155 1.00 0.00 O ATOM 598 CB LEU A 40 -5.300 -4.383 -10.072 1.00 0.00 C ATOM 599 CG LEU A 40 -5.807 -3.449 -8.968 1.00 0.00 C ATOM 600 CD1 LEU A 40 -7.249 -3.045 -9.219 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.687 -4.107 -7.604 1.00 0.00 C ATOM 0 H LEU A 40 -3.375 -2.942 -9.521 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.933 -5.646 -9.009 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.309 -3.841 -11.018 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.999 -5.213 -10.174 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.185 -2.554 -8.982 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.585 -2.382 -8.422 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.321 -2.527 -10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.878 -3.935 -9.240 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.053 -3.424 -6.837 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.279 -5.022 -7.588 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.642 -4.348 -7.407 1.00 0.00 H new ATOM 613 N ALA A 41 -2.942 -4.943 -12.070 1.00 0.00 N ATOM 614 CA ALA A 41 -2.447 -5.526 -13.312 1.00 0.00 C ATOM 615 C ALA A 41 -1.239 -6.414 -13.059 1.00 0.00 C ATOM 616 O ALA A 41 -1.178 -7.550 -13.529 1.00 0.00 O ATOM 617 CB ALA A 41 -2.094 -4.432 -14.306 1.00 0.00 C ATOM 0 H ALA A 41 -2.880 -3.926 -12.029 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.240 -6.144 -13.732 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.726 -4.883 -15.228 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.981 -3.837 -14.522 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.321 -3.791 -13.882 1.00 0.00 H new ATOM 623 N ALA A 42 -0.290 -5.891 -12.304 1.00 0.00 N ATOM 624 CA ALA A 42 0.916 -6.634 -11.967 1.00 0.00 C ATOM 625 C ALA A 42 0.584 -7.730 -10.970 1.00 0.00 C ATOM 626 O ALA A 42 1.225 -8.781 -10.936 1.00 0.00 O ATOM 627 CB ALA A 42 1.981 -5.704 -11.403 1.00 0.00 C ATOM 0 H ALA A 42 -0.329 -4.951 -11.910 1.00 0.00 H new ATOM 0 HA ALA A 42 1.312 -7.090 -12.875 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.874 -6.279 -11.158 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.231 -4.945 -12.144 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.602 -5.221 -10.502 1.00 0.00 H new ATOM 633 N LEU A 43 -0.434 -7.470 -10.160 1.00 0.00 N ATOM 634 CA LEU A 43 -0.879 -8.414 -9.152 1.00 0.00 C ATOM 635 C LEU A 43 -1.349 -9.712 -9.790 1.00 0.00 C ATOM 636 O LEU A 43 -1.198 -10.793 -9.220 1.00 0.00 O ATOM 637 CB LEU A 43 -2.013 -7.805 -8.331 1.00 0.00 C ATOM 638 CG LEU A 43 -1.597 -7.235 -6.980 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.753 -6.483 -6.332 1.00 0.00 C ATOM 640 CD2 LEU A 43 -1.126 -8.360 -6.080 1.00 0.00 C ATOM 0 H LEU A 43 -0.970 -6.602 -10.185 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.035 -8.636 -8.499 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.479 -7.011 -8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.774 -8.569 -8.168 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.780 -6.529 -7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.434 -6.085 -5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.062 -5.662 -6.980 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.592 -7.163 -6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.828 -7.953 -5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.936 -9.076 -5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.275 -8.862 -6.540 1.00 0.00 H new ATOM 652 N ALA A 44 -1.928 -9.591 -10.973 1.00 0.00 N ATOM 653 CA ALA A 44 -2.435 -10.746 -11.702 1.00 0.00 C ATOM 654 C ALA A 44 -1.345 -11.789 -11.931 1.00 0.00 C ATOM 655 O ALA A 44 -1.638 -12.954 -12.200 1.00 0.00 O ATOM 656 CB ALA A 44 -3.034 -10.306 -13.028 1.00 0.00 C ATOM 0 H ALA A 44 -2.060 -8.701 -11.453 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.212 -11.210 -11.095 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.410 -11.177 -13.564 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.854 -9.612 -12.844 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.268 -9.813 -13.627 1.00 0.00 H new ATOM 662 N SER A 45 -0.089 -11.369 -11.826 1.00 0.00 N ATOM 663 CA SER A 45 1.029 -12.270 -12.027 1.00 0.00 C ATOM 664 C SER A 45 1.990 -12.270 -10.835 1.00 0.00 C ATOM 665 O SER A 45 3.016 -12.947 -10.865 1.00 0.00 O ATOM 666 CB SER A 45 1.785 -11.900 -13.304 1.00 0.00 C ATOM 667 OG SER A 45 1.217 -12.540 -14.434 1.00 0.00 O ATOM 0 H SER A 45 0.176 -10.410 -11.603 1.00 0.00 H new ATOM 0 HA SER A 45 0.620 -13.276 -12.123 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.762 -10.819 -13.444 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.832 -12.187 -13.207 1.00 0.00 H new ATOM 0 HG SER A 45 1.716 -12.287 -15.239 1.00 0.00 H new ATOM 673 N LYS A 46 1.660 -11.515 -9.787 1.00 0.00 N ATOM 674 CA LYS A 46 2.511 -11.452 -8.608 1.00 0.00 C ATOM 675 C LYS A 46 1.746 -10.910 -7.405 1.00 0.00 C ATOM 676 O LYS A 46 0.655 -10.362 -7.547 1.00 0.00 O ATOM 677 CB LYS A 46 3.741 -10.588 -8.887 1.00 0.00 C ATOM 678 CG LYS A 46 4.989 -11.045 -8.147 1.00 0.00 C ATOM 679 CD LYS A 46 5.678 -9.888 -7.441 1.00 0.00 C ATOM 680 CE LYS A 46 7.188 -9.932 -7.626 1.00 0.00 C ATOM 681 NZ LYS A 46 7.703 -8.699 -8.281 1.00 0.00 N ATOM 0 H LYS A 46 0.816 -10.945 -9.734 1.00 0.00 H new ATOM 0 HA LYS A 46 2.836 -12.465 -8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.942 -10.593 -9.958 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.521 -9.557 -8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.720 -11.809 -7.417 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.681 -11.506 -8.851 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.292 -8.945 -7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.441 -9.918 -6.378 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.669 -10.056 -6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.455 -10.801 -8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.735 -8.768 -8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.263 -8.594 -9.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.471 -7.872 -7.695 1.00 0.00 H new ATOM 695 N THR A 47 2.325 -11.072 -6.219 1.00 0.00 N ATOM 696 CA THR A 47 1.701 -10.601 -4.994 1.00 0.00 C ATOM 697 C THR A 47 2.731 -9.955 -4.068 1.00 0.00 C ATOM 698 O THR A 47 3.629 -10.630 -3.567 1.00 0.00 O ATOM 699 CB THR A 47 1.009 -11.759 -4.273 1.00 0.00 C ATOM 700 OG1 THR A 47 0.031 -12.354 -5.106 1.00 0.00 O ATOM 701 CG2 THR A 47 0.331 -11.345 -2.984 1.00 0.00 C ATOM 0 H THR A 47 3.228 -11.527 -6.084 1.00 0.00 H new ATOM 0 HA THR A 47 0.958 -9.850 -5.261 1.00 0.00 H new ATOM 0 HB THR A 47 1.803 -12.465 -4.032 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.400 -13.093 -4.628 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.139 -12.214 -2.525 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.072 -10.930 -2.300 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.428 -10.592 -3.198 1.00 0.00 H new ATOM 709 N PRO A 48 2.614 -8.637 -3.813 1.00 0.00 N ATOM 710 CA PRO A 48 3.541 -7.926 -2.931 1.00 0.00 C ATOM 711 C PRO A 48 3.344 -8.312 -1.470 1.00 0.00 C ATOM 712 O PRO A 48 2.230 -8.622 -1.046 1.00 0.00 O ATOM 713 CB PRO A 48 3.179 -6.458 -3.146 1.00 0.00 C ATOM 714 CG PRO A 48 1.746 -6.485 -3.540 1.00 0.00 C ATOM 715 CD PRO A 48 1.571 -7.740 -4.351 1.00 0.00 C ATOM 0 HA PRO A 48 4.582 -8.157 -3.155 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.331 -5.874 -2.238 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.796 -6.006 -3.922 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.099 -6.492 -2.663 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.483 -5.602 -4.123 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.574 -8.163 -4.229 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.710 -7.554 -5.416 1.00 0.00 H new ATOM 723 N ASP A 49 4.428 -8.293 -0.703 1.00 0.00 N ATOM 724 CA ASP A 49 4.363 -8.643 0.707 1.00 0.00 C ATOM 725 C ASP A 49 3.712 -7.524 1.512 1.00 0.00 C ATOM 726 O ASP A 49 3.069 -7.773 2.533 1.00 0.00 O ATOM 727 CB ASP A 49 5.764 -8.934 1.251 1.00 0.00 C ATOM 728 CG ASP A 49 6.352 -10.211 0.680 1.00 0.00 C ATOM 729 OD1 ASP A 49 6.820 -10.185 -0.478 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.342 -11.238 1.390 1.00 0.00 O ATOM 0 H ASP A 49 5.359 -8.039 -1.034 1.00 0.00 H new ATOM 0 HA ASP A 49 3.753 -9.541 0.806 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.423 -8.098 1.017 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.720 -9.011 2.337 1.00 0.00 H new ATOM 735 N VAL A 50 3.885 -6.289 1.047 1.00 0.00 N ATOM 736 CA VAL A 50 3.315 -5.129 1.723 1.00 0.00 C ATOM 737 C VAL A 50 2.924 -4.048 0.713 1.00 0.00 C ATOM 738 O VAL A 50 3.779 -3.312 0.219 1.00 0.00 O ATOM 739 CB VAL A 50 4.315 -4.541 2.737 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.608 -4.159 2.038 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.721 -3.341 3.456 1.00 0.00 C ATOM 0 H VAL A 50 4.416 -6.067 0.205 1.00 0.00 H new ATOM 0 HA VAL A 50 2.422 -5.462 2.253 1.00 0.00 H new ATOM 0 HB VAL A 50 4.533 -5.304 3.484 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.306 -3.745 2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.047 -5.043 1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.400 -3.414 1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.448 -2.946 4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.468 -2.570 2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.821 -3.646 3.990 1.00 0.00 H new ATOM 751 N LEU A 51 1.634 -3.959 0.403 1.00 0.00 N ATOM 752 CA LEU A 51 1.148 -2.968 -0.556 1.00 0.00 C ATOM 753 C LEU A 51 0.879 -1.626 0.120 1.00 0.00 C ATOM 754 O LEU A 51 0.132 -1.544 1.095 1.00 0.00 O ATOM 755 CB LEU A 51 -0.123 -3.462 -1.252 1.00 0.00 C ATOM 756 CG LEU A 51 -0.458 -2.752 -2.563 1.00 0.00 C ATOM 757 CD1 LEU A 51 0.730 -2.800 -3.515 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.698 -3.368 -3.202 1.00 0.00 C ATOM 0 H LEU A 51 0.908 -4.557 0.799 1.00 0.00 H new ATOM 0 HA LEU A 51 1.929 -2.827 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.020 -4.529 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.963 -3.345 -0.568 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.674 -1.706 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.473 -2.290 -4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.586 -2.306 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.982 -3.838 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.922 -2.850 -4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.516 -4.423 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.544 -3.272 -2.521 1.00 0.00 H new ATOM 770 N LEU A 52 1.493 -0.578 -0.417 1.00 0.00 N ATOM 771 CA LEU A 52 1.334 0.776 0.107 1.00 0.00 C ATOM 772 C LEU A 52 0.767 1.686 -0.976 1.00 0.00 C ATOM 773 O LEU A 52 1.368 1.848 -2.031 1.00 0.00 O ATOM 774 CB LEU A 52 2.691 1.312 0.582 1.00 0.00 C ATOM 775 CG LEU A 52 2.661 2.295 1.759 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.068 2.785 2.074 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.745 3.475 1.462 1.00 0.00 C ATOM 0 H LEU A 52 2.113 -0.641 -1.225 1.00 0.00 H new ATOM 0 HA LEU A 52 0.644 0.754 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.315 0.463 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.179 1.802 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 52 2.267 1.770 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.032 3.482 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.699 1.936 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.482 3.289 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.742 4.156 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.104 4.001 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.732 3.114 1.283 1.00 0.00 H new ATOM 789 N SER A 53 -0.392 2.278 -0.727 1.00 0.00 N ATOM 790 CA SER A 53 -1.002 3.160 -1.712 1.00 0.00 C ATOM 791 C SER A 53 -1.146 4.574 -1.167 1.00 0.00 C ATOM 792 O SER A 53 -1.651 4.781 -0.065 1.00 0.00 O ATOM 793 CB SER A 53 -2.359 2.614 -2.144 1.00 0.00 C ATOM 794 OG SER A 53 -2.808 3.247 -3.329 1.00 0.00 O ATOM 0 H SER A 53 -0.923 2.166 0.137 1.00 0.00 H new ATOM 0 HA SER A 53 -0.347 3.200 -2.582 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.287 1.539 -2.307 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.087 2.768 -1.347 1.00 0.00 H new ATOM 0 HG SER A 53 -3.729 3.558 -3.205 1.00 0.00 H new ATOM 800 N ASP A 54 -0.692 5.547 -1.950 1.00 0.00 N ATOM 801 CA ASP A 54 -0.757 6.949 -1.556 1.00 0.00 C ATOM 802 C ASP A 54 -2.127 7.562 -1.859 1.00 0.00 C ATOM 803 O ASP A 54 -2.271 8.783 -1.862 1.00 0.00 O ATOM 804 CB ASP A 54 0.329 7.745 -2.282 1.00 0.00 C ATOM 805 CG ASP A 54 0.478 9.154 -1.743 1.00 0.00 C ATOM 806 OD1 ASP A 54 1.012 9.307 -0.625 1.00 0.00 O ATOM 807 OD2 ASP A 54 0.064 10.102 -2.441 1.00 0.00 O ATOM 0 H ASP A 54 -0.273 5.388 -2.866 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.597 6.996 -0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.281 7.222 -2.189 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.092 7.790 -3.345 1.00 0.00 H new ATOM 812 N ILE A 55 -3.124 6.709 -2.121 1.00 0.00 N ATOM 813 CA ILE A 55 -4.483 7.160 -2.440 1.00 0.00 C ATOM 814 C ILE A 55 -4.477 8.482 -3.216 1.00 0.00 C ATOM 815 O ILE A 55 -4.442 9.560 -2.623 1.00 0.00 O ATOM 816 CB ILE A 55 -5.374 7.290 -1.173 1.00 0.00 C ATOM 817 CG1 ILE A 55 -6.678 8.021 -1.504 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.652 7.999 -0.041 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.599 8.204 -0.317 1.00 0.00 C ATOM 0 H ILE A 55 -3.013 5.695 -2.118 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.915 6.388 -3.077 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.605 6.279 -0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.439 9.000 -1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.207 7.466 -2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.311 8.068 0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.757 7.437 0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.368 9.001 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.500 8.730 -0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.871 7.229 0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.090 8.786 0.452 1.00 0.00 H new ATOM 831 N ARG A 56 -4.508 8.386 -4.543 1.00 0.00 N ATOM 832 CA ARG A 56 -4.502 9.572 -5.394 1.00 0.00 C ATOM 833 C ARG A 56 -5.885 9.842 -5.981 1.00 0.00 C ATOM 834 O ARG A 56 -6.012 10.335 -7.101 1.00 0.00 O ATOM 835 CB ARG A 56 -3.476 9.421 -6.518 1.00 0.00 C ATOM 836 CG ARG A 56 -3.077 10.742 -7.154 1.00 0.00 C ATOM 837 CD ARG A 56 -2.491 11.701 -6.128 1.00 0.00 C ATOM 838 NE ARG A 56 -1.494 12.589 -6.720 1.00 0.00 N ATOM 839 CZ ARG A 56 -0.495 13.149 -6.039 1.00 0.00 C ATOM 840 NH1 ARG A 56 -0.356 12.921 -4.738 1.00 0.00 N ATOM 841 NH2 ARG A 56 0.369 13.943 -6.659 1.00 0.00 N ATOM 0 H ARG A 56 -4.537 7.502 -5.051 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.225 10.423 -4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.585 8.933 -6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.885 8.765 -7.287 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.347 10.561 -7.943 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.948 11.198 -7.624 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.292 12.296 -5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.035 11.132 -5.318 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.567 12.793 -7.717 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.017 12.314 -4.253 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.411 13.353 -4.224 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.269 14.125 -7.658 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.133 14.371 -6.137 1.00 0.00 H new ATOM 855 N MET A 57 -6.911 9.531 -5.204 1.00 0.00 N ATOM 856 CA MET A 57 -8.293 9.750 -5.619 1.00 0.00 C ATOM 857 C MET A 57 -8.609 9.117 -6.979 1.00 0.00 C ATOM 858 O MET A 57 -9.222 9.757 -7.835 1.00 0.00 O ATOM 859 CB MET A 57 -8.599 11.249 -5.660 1.00 0.00 C ATOM 860 CG MET A 57 -9.985 11.603 -5.139 1.00 0.00 C ATOM 861 SD MET A 57 -9.963 12.974 -3.968 1.00 0.00 S ATOM 862 CE MET A 57 -9.053 14.199 -4.904 1.00 0.00 C ATOM 0 H MET A 57 -6.814 9.123 -4.274 1.00 0.00 H new ATOM 0 HA MET A 57 -8.928 9.261 -4.880 1.00 0.00 H new ATOM 0 HB2 MET A 57 -7.852 11.780 -5.070 1.00 0.00 H new ATOM 0 HB3 MET A 57 -8.505 11.603 -6.687 1.00 0.00 H new ATOM 0 HG2 MET A 57 -10.629 11.860 -5.980 1.00 0.00 H new ATOM 0 HG3 MET A 57 -10.422 10.728 -4.658 1.00 0.00 H new ATOM 0 HE1 MET A 57 -9.371 15.197 -4.602 1.00 0.00 H new ATOM 0 HE2 MET A 57 -7.986 14.084 -4.712 1.00 0.00 H new ATOM 0 HE3 MET A 57 -9.247 14.062 -5.968 1.00 0.00 H new ATOM 872 N PRO A 58 -8.222 7.845 -7.197 1.00 0.00 N ATOM 873 CA PRO A 58 -8.504 7.149 -8.459 1.00 0.00 C ATOM 874 C PRO A 58 -10.009 7.036 -8.706 1.00 0.00 C ATOM 875 O PRO A 58 -10.571 7.756 -9.530 1.00 0.00 O ATOM 876 CB PRO A 58 -7.878 5.762 -8.263 1.00 0.00 C ATOM 877 CG PRO A 58 -7.725 5.604 -6.787 1.00 0.00 C ATOM 878 CD PRO A 58 -7.508 6.986 -6.242 1.00 0.00 C ATOM 0 HA PRO A 58 -8.102 7.677 -9.324 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.515 4.981 -8.678 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.915 5.690 -8.768 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.613 5.147 -6.350 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.883 4.954 -6.550 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.908 7.087 -5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -6.448 7.236 -6.191 1.00 0.00 H new ATOM 886 N GLY A 59 -10.659 6.145 -7.960 1.00 0.00 N ATOM 887 CA GLY A 59 -12.096 5.965 -8.077 1.00 0.00 C ATOM 888 C GLY A 59 -12.786 6.321 -6.776 1.00 0.00 C ATOM 889 O GLY A 59 -13.286 7.434 -6.611 1.00 0.00 O ATOM 0 H GLY A 59 -10.211 5.540 -7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.482 6.590 -8.882 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.318 4.931 -8.342 1.00 0.00 H new ATOM 893 N MET A 60 -12.774 5.382 -5.835 1.00 0.00 N ATOM 894 CA MET A 60 -13.358 5.602 -4.515 1.00 0.00 C ATOM 895 C MET A 60 -12.318 6.274 -3.621 1.00 0.00 C ATOM 896 O MET A 60 -11.966 5.752 -2.564 1.00 0.00 O ATOM 897 CB MET A 60 -13.816 4.273 -3.893 1.00 0.00 C ATOM 898 CG MET A 60 -15.152 4.361 -3.168 1.00 0.00 C ATOM 899 SD MET A 60 -15.061 3.849 -1.442 1.00 0.00 S ATOM 900 CE MET A 60 -16.769 3.386 -1.147 1.00 0.00 C ATOM 0 H MET A 60 -12.364 4.457 -5.963 1.00 0.00 H new ATOM 0 HA MET A 60 -14.233 6.245 -4.611 1.00 0.00 H new ATOM 0 HB2 MET A 60 -13.889 3.521 -4.679 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.055 3.929 -3.192 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.517 5.387 -3.217 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.881 3.738 -3.687 1.00 0.00 H new ATOM 0 HE1 MET A 60 -16.996 3.491 -0.086 1.00 0.00 H new ATOM 0 HE2 MET A 60 -17.427 4.035 -1.725 1.00 0.00 H new ATOM 0 HE3 MET A 60 -16.923 2.350 -1.450 1.00 0.00 H new ATOM 910 N ASP A 61 -11.819 7.422 -4.091 1.00 0.00 N ATOM 911 CA ASP A 61 -10.792 8.207 -3.401 1.00 0.00 C ATOM 912 C ASP A 61 -9.538 7.385 -3.112 1.00 0.00 C ATOM 913 O ASP A 61 -8.464 7.691 -3.620 1.00 0.00 O ATOM 914 CB ASP A 61 -11.326 8.852 -2.116 1.00 0.00 C ATOM 915 CG ASP A 61 -11.715 7.857 -1.051 1.00 0.00 C ATOM 916 OD1 ASP A 61 -10.832 7.461 -0.262 1.00 0.00 O ATOM 917 OD2 ASP A 61 -12.902 7.474 -1.007 1.00 0.00 O ATOM 0 H ASP A 61 -12.121 7.837 -4.972 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.512 9.009 -4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.566 9.522 -1.714 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.193 9.465 -2.362 1.00 0.00 H new ATOM 922 N GLY A 62 -9.677 6.346 -2.304 1.00 0.00 N ATOM 923 CA GLY A 62 -8.547 5.495 -1.973 1.00 0.00 C ATOM 924 C GLY A 62 -8.977 4.104 -1.566 1.00 0.00 C ATOM 925 O GLY A 62 -8.305 3.117 -1.869 1.00 0.00 O ATOM 0 H GLY A 62 -10.557 6.073 -1.867 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.880 5.430 -2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.978 5.949 -1.162 1.00 0.00 H new ATOM 929 N LEU A 63 -10.102 4.026 -0.875 1.00 0.00 N ATOM 930 CA LEU A 63 -10.628 2.752 -0.417 1.00 0.00 C ATOM 931 C LEU A 63 -10.943 1.833 -1.594 1.00 0.00 C ATOM 932 O LEU A 63 -11.003 0.613 -1.441 1.00 0.00 O ATOM 933 CB LEU A 63 -11.881 2.954 0.440 1.00 0.00 C ATOM 934 CG LEU A 63 -11.896 4.223 1.300 1.00 0.00 C ATOM 935 CD1 LEU A 63 -12.532 5.377 0.550 1.00 0.00 C ATOM 936 CD2 LEU A 63 -12.644 3.987 2.594 1.00 0.00 C ATOM 0 H LEU A 63 -10.670 4.833 -0.618 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.859 2.280 0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.750 2.971 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.994 2.091 1.096 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.861 4.478 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.531 6.266 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.965 5.577 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.558 5.119 0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.641 4.901 3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.672 3.701 2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.158 3.189 3.155 1.00 0.00 H new ATOM 948 N ALA A 64 -11.139 2.421 -2.770 1.00 0.00 N ATOM 949 CA ALA A 64 -11.441 1.645 -3.966 1.00 0.00 C ATOM 950 C ALA A 64 -10.382 0.580 -4.211 1.00 0.00 C ATOM 951 O ALA A 64 -10.694 -0.558 -4.558 1.00 0.00 O ATOM 952 CB ALA A 64 -11.535 2.564 -5.167 1.00 0.00 C ATOM 0 H ALA A 64 -11.094 3.429 -2.919 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.398 1.145 -3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.761 1.977 -6.057 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.326 3.296 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.585 3.081 -5.305 1.00 0.00 H new ATOM 958 N LEU A 65 -9.126 0.969 -4.034 1.00 0.00 N ATOM 959 CA LEU A 65 -8.007 0.066 -4.241 1.00 0.00 C ATOM 960 C LEU A 65 -8.181 -1.225 -3.440 1.00 0.00 C ATOM 961 O LEU A 65 -7.948 -2.315 -3.955 1.00 0.00 O ATOM 962 CB LEU A 65 -6.697 0.768 -3.867 1.00 0.00 C ATOM 963 CG LEU A 65 -5.450 -0.119 -3.822 1.00 0.00 C ATOM 964 CD1 LEU A 65 -5.394 -1.063 -5.017 1.00 0.00 C ATOM 965 CD2 LEU A 65 -4.193 0.734 -3.760 1.00 0.00 C ATOM 0 H LEU A 65 -8.858 1.910 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.973 -0.207 -5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.521 1.572 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.823 1.233 -2.889 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.507 -0.727 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.496 -1.678 -4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.275 -1.705 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.371 -0.482 -5.939 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.316 0.088 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.142 1.372 -4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.218 1.355 -2.864 1.00 0.00 H new ATOM 977 N LEU A 66 -8.601 -1.100 -2.185 1.00 0.00 N ATOM 978 CA LEU A 66 -8.808 -2.270 -1.336 1.00 0.00 C ATOM 979 C LEU A 66 -9.852 -3.202 -1.941 1.00 0.00 C ATOM 980 O LEU A 66 -9.679 -4.420 -1.956 1.00 0.00 O ATOM 981 CB LEU A 66 -9.259 -1.857 0.065 1.00 0.00 C ATOM 982 CG LEU A 66 -8.435 -0.751 0.728 1.00 0.00 C ATOM 983 CD1 LEU A 66 -9.321 0.110 1.616 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.294 -1.351 1.535 1.00 0.00 C ATOM 0 H LEU A 66 -8.804 -0.207 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.855 -2.793 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.297 -1.528 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.236 -2.737 0.708 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.010 -0.119 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.720 0.892 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.107 0.566 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.771 -0.510 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.718 -0.551 2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.699 -2.003 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.646 -1.929 0.876 1.00 0.00 H new ATOM 996 N LYS A 67 -10.940 -2.616 -2.429 1.00 0.00 N ATOM 997 CA LYS A 67 -12.029 -3.380 -3.026 1.00 0.00 C ATOM 998 C LYS A 67 -11.527 -4.321 -4.125 1.00 0.00 C ATOM 999 O LYS A 67 -11.784 -5.525 -4.093 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.081 -2.432 -3.600 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.488 -3.012 -3.601 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.508 -2.007 -3.092 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.925 -2.544 -3.215 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.787 -2.104 -2.084 1.00 0.00 N ATOM 0 H LYS A 67 -11.091 -1.607 -2.422 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.473 -3.990 -2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.079 -1.507 -3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.804 -2.171 -4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.754 -3.321 -4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.514 -3.906 -2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.297 -1.768 -2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.419 -1.078 -3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.360 -2.207 -4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.899 -3.633 -3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.744 -2.492 -2.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.386 -2.447 -1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.834 -1.065 -2.067 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.824 -3.759 -5.104 1.00 0.00 N ATOM 1019 CA GLN A 68 -10.302 -4.544 -6.222 1.00 0.00 C ATOM 1020 C GLN A 68 -9.327 -5.619 -5.756 1.00 0.00 C ATOM 1021 O GLN A 68 -9.381 -6.757 -6.217 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.605 -3.632 -7.230 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.529 -2.613 -7.870 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.676 -3.257 -8.627 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -11.626 -4.442 -8.960 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -12.720 -2.482 -8.899 1.00 0.00 N ATOM 0 H GLN A 68 -10.602 -2.764 -5.147 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.152 -5.037 -6.694 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.791 -3.108 -6.730 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.157 -4.245 -8.012 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.931 -1.958 -7.097 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.955 -1.986 -8.552 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.721 -1.505 -8.605 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.521 -2.864 -9.402 1.00 0.00 H new ATOM 1035 N ILE A 69 -8.424 -5.249 -4.858 1.00 0.00 N ATOM 1036 CA ILE A 69 -7.428 -6.184 -4.356 1.00 0.00 C ATOM 1037 C ILE A 69 -8.079 -7.411 -3.743 1.00 0.00 C ATOM 1038 O ILE A 69 -7.766 -8.546 -4.100 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.522 -5.538 -3.295 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -5.866 -4.271 -3.828 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.460 -6.521 -2.832 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.491 -3.311 -2.725 1.00 0.00 C ATOM 0 H ILE A 69 -8.361 -4.310 -4.463 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.826 -6.476 -5.216 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.147 -5.266 -2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.973 -4.537 -4.394 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.547 -3.776 -4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.828 -6.047 -2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.940 -7.399 -2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.849 -6.824 -3.682 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.027 -2.424 -3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.386 -3.021 -2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.788 -3.794 -2.046 1.00 0.00 H new ATOM 1054 N LYS A 70 -8.970 -7.164 -2.804 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.668 -8.237 -2.106 1.00 0.00 C ATOM 1056 C LYS A 70 -10.418 -9.139 -3.077 1.00 0.00 C ATOM 1057 O LYS A 70 -10.701 -10.298 -2.773 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.636 -7.655 -1.075 1.00 0.00 C ATOM 1059 CG LYS A 70 -11.800 -6.892 -1.681 1.00 0.00 C ATOM 1060 CD LYS A 70 -12.938 -6.740 -0.687 1.00 0.00 C ATOM 1061 CE LYS A 70 -13.923 -5.670 -1.129 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.337 -6.082 -0.899 1.00 0.00 N ATOM 0 H LYS A 70 -9.232 -6.226 -2.502 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.920 -8.843 -1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.027 -8.466 -0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.085 -6.989 -0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.463 -5.907 -2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.157 -7.414 -2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.458 -7.692 -0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.535 -6.483 0.293 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.722 -4.746 -0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.775 -5.457 -2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.975 -5.324 -1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.538 -6.949 -1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.486 -6.261 0.115 1.00 0.00 H new ATOM 1076 N GLN A 71 -10.744 -8.601 -4.243 1.00 0.00 N ATOM 1077 CA GLN A 71 -11.469 -9.356 -5.255 1.00 0.00 C ATOM 1078 C GLN A 71 -10.633 -10.502 -5.810 1.00 0.00 C ATOM 1079 O GLN A 71 -11.082 -11.647 -5.860 1.00 0.00 O ATOM 1080 CB GLN A 71 -11.909 -8.431 -6.390 1.00 0.00 C ATOM 1081 CG GLN A 71 -13.417 -8.277 -6.498 1.00 0.00 C ATOM 1082 CD GLN A 71 -13.832 -6.870 -6.879 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -14.600 -6.671 -7.819 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -13.322 -5.885 -6.149 1.00 0.00 N ATOM 0 H GLN A 71 -10.518 -7.644 -4.512 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.349 -9.787 -4.778 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.461 -7.448 -6.241 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.523 -8.818 -7.333 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -13.798 -8.978 -7.240 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.875 -8.542 -5.545 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.689 -6.097 -5.378 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.564 -4.917 -6.359 1.00 0.00 H new ATOM 1093 N ARG A 72 -9.428 -10.177 -6.242 1.00 0.00 N ATOM 1094 CA ARG A 72 -8.527 -11.172 -6.821 1.00 0.00 C ATOM 1095 C ARG A 72 -7.469 -11.649 -5.825 1.00 0.00 C ATOM 1096 O ARG A 72 -6.711 -12.573 -6.123 1.00 0.00 O ATOM 1097 CB ARG A 72 -7.847 -10.601 -8.068 1.00 0.00 C ATOM 1098 CG ARG A 72 -8.773 -10.500 -9.269 1.00 0.00 C ATOM 1099 CD ARG A 72 -8.024 -10.077 -10.524 1.00 0.00 C ATOM 1100 NE ARG A 72 -8.826 -10.273 -11.731 1.00 0.00 N ATOM 1101 CZ ARG A 72 -8.710 -11.321 -12.545 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -7.827 -12.281 -12.292 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -9.483 -11.413 -13.618 1.00 0.00 N ATOM 0 H ARG A 72 -9.045 -9.232 -6.205 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.133 -12.037 -7.092 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.454 -9.611 -7.837 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.995 -11.229 -8.328 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.254 -11.463 -9.440 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.565 -9.781 -9.058 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.742 -9.027 -10.442 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.100 -10.649 -10.605 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.519 -9.562 -11.965 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.229 -12.220 -11.468 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.747 -13.079 -12.922 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.165 -10.682 -13.819 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.395 -12.215 -14.242 1.00 0.00 H new ATOM 1117 N HIS A 73 -7.400 -11.021 -4.653 1.00 0.00 N ATOM 1118 CA HIS A 73 -6.405 -11.406 -3.653 1.00 0.00 C ATOM 1119 C HIS A 73 -7.045 -11.732 -2.304 1.00 0.00 C ATOM 1120 O HIS A 73 -7.978 -11.057 -1.867 1.00 0.00 O ATOM 1121 CB HIS A 73 -5.366 -10.297 -3.519 1.00 0.00 C ATOM 1122 CG HIS A 73 -4.857 -9.866 -4.847 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -4.065 -10.666 -5.638 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -5.081 -8.739 -5.553 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -3.825 -10.051 -6.777 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -4.432 -8.877 -6.754 1.00 0.00 N ATOM 0 H HIS A 73 -8.012 -10.254 -4.374 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.914 -12.319 -3.990 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.807 -9.444 -3.003 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.536 -10.647 -2.906 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -3.718 -11.590 -5.382 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -5.663 -7.887 -5.233 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.233 -10.440 -7.592 1.00 0.00 H new ATOM 1135 N PRO A 74 -6.553 -12.795 -1.637 1.00 0.00 N ATOM 1136 CA PRO A 74 -7.079 -13.237 -0.344 1.00 0.00 C ATOM 1137 C PRO A 74 -6.783 -12.267 0.794 1.00 0.00 C ATOM 1138 O PRO A 74 -7.702 -11.729 1.412 1.00 0.00 O ATOM 1139 CB PRO A 74 -6.374 -14.575 -0.099 1.00 0.00 C ATOM 1140 CG PRO A 74 -5.132 -14.518 -0.920 1.00 0.00 C ATOM 1141 CD PRO A 74 -5.451 -13.656 -2.109 1.00 0.00 C ATOM 0 HA PRO A 74 -8.166 -13.307 -0.369 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.142 -14.710 0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.005 -15.413 -0.397 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.306 -14.098 -0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.827 -15.516 -1.234 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.588 -13.067 -2.418 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.752 -14.256 -2.968 1.00 0.00 H new ATOM 1149 N MET A 75 -5.503 -12.056 1.084 1.00 0.00 N ATOM 1150 CA MET A 75 -5.114 -11.161 2.166 1.00 0.00 C ATOM 1151 C MET A 75 -3.963 -10.247 1.764 1.00 0.00 C ATOM 1152 O MET A 75 -2.986 -10.107 2.500 1.00 0.00 O ATOM 1153 CB MET A 75 -4.744 -11.967 3.412 1.00 0.00 C ATOM 1154 CG MET A 75 -5.953 -12.430 4.208 1.00 0.00 C ATOM 1155 SD MET A 75 -5.607 -12.597 5.971 1.00 0.00 S ATOM 1156 CE MET A 75 -6.962 -11.656 6.672 1.00 0.00 C ATOM 0 H MET A 75 -4.724 -12.489 0.589 1.00 0.00 H new ATOM 0 HA MET A 75 -5.971 -10.526 2.391 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.159 -12.837 3.113 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.106 -11.359 4.054 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.768 -11.720 4.068 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.294 -13.388 3.817 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.705 -11.347 7.685 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.147 -10.774 6.059 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.859 -12.274 6.698 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.093 -9.612 0.609 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.072 -8.694 0.128 1.00 0.00 C ATOM 1168 C LEU A 76 -3.028 -7.450 1.014 1.00 0.00 C ATOM 1169 O LEU A 76 -3.940 -6.625 0.973 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.372 -8.282 -1.314 1.00 0.00 C ATOM 1171 CG LEU A 76 -2.168 -7.872 -2.163 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -1.818 -6.420 -1.889 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.978 -8.777 -1.902 1.00 0.00 C ATOM 0 H LEU A 76 -4.895 -9.716 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.106 -9.197 0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.874 -9.112 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.076 -7.450 -1.293 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.432 -7.978 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.960 -6.132 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.669 -5.787 -2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.574 -6.297 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.138 -8.461 -2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.698 -8.716 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.242 -9.805 -2.148 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.972 -7.292 1.832 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.836 -6.137 2.727 1.00 0.00 C ATOM 1187 C PRO A 77 -1.822 -4.814 1.968 1.00 0.00 C ATOM 1188 O PRO A 77 -1.099 -4.663 0.986 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.490 -6.367 3.425 1.00 0.00 C ATOM 1190 CG PRO A 77 0.229 -7.356 2.569 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.834 -8.217 1.956 1.00 0.00 C ATOM 0 HA PRO A 77 -2.676 -6.063 3.417 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.073 -5.438 3.511 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.631 -6.750 4.436 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.816 -6.854 1.800 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.923 -7.953 3.161 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.526 -8.612 0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.075 -9.073 2.587 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.617 -3.856 2.438 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.691 -2.540 1.812 1.00 0.00 C ATOM 1201 C VAL A 78 -2.515 -1.440 2.848 1.00 0.00 C ATOM 1202 O VAL A 78 -3.092 -1.500 3.935 1.00 0.00 O ATOM 1203 CB VAL A 78 -4.034 -2.315 1.089 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.926 -1.152 0.115 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.486 -3.577 0.369 1.00 0.00 C ATOM 0 H VAL A 78 -3.220 -3.968 3.253 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.885 -2.502 1.079 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.785 -2.070 1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.883 -1.007 -0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.661 -0.245 0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.157 -1.369 -0.626 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.436 -3.390 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.737 -3.863 -0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.610 -4.384 1.092 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.719 -0.437 2.508 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.472 0.678 3.410 1.00 0.00 C ATOM 1217 C ILE A 79 -1.738 2.006 2.718 1.00 0.00 C ATOM 1218 O ILE A 79 -1.011 2.399 1.806 1.00 0.00 O ATOM 1219 CB ILE A 79 -0.026 0.661 3.939 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.337 -0.735 4.447 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.147 1.696 5.041 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.522 -1.343 3.734 1.00 0.00 C ATOM 0 H ILE A 79 -1.233 -0.372 1.614 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.156 0.568 4.251 1.00 0.00 H new ATOM 0 HB ILE A 79 0.648 0.915 3.121 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.553 -0.681 5.514 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.525 -1.392 4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.174 1.672 5.405 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.075 2.688 4.647 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.534 1.471 5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.725 -2.332 4.144 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.302 -1.429 2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.396 -0.707 3.873 1.00 0.00 H new ATOM 1234 N ILE A 80 -2.795 2.683 3.146 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.172 3.965 2.561 1.00 0.00 C ATOM 1236 C ILE A 80 -2.701 5.135 3.423 1.00 0.00 C ATOM 1237 O ILE A 80 -2.636 5.030 4.649 1.00 0.00 O ATOM 1238 CB ILE A 80 -4.698 4.050 2.366 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.237 2.739 1.790 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.055 5.215 1.459 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.592 2.348 0.480 1.00 0.00 C ATOM 0 H ILE A 80 -3.408 2.366 3.897 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.681 4.032 1.590 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.161 4.217 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.081 1.941 2.516 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.313 2.831 1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.137 5.259 1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.703 6.145 1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.581 5.078 0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.021 1.410 0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.770 3.128 -0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.519 2.224 0.625 1.00 0.00 H new ATOM 1253 N MET A 81 -2.368 6.250 2.773 1.00 0.00 N ATOM 1254 CA MET A 81 -1.896 7.443 3.479 1.00 0.00 C ATOM 1255 C MET A 81 -3.066 8.257 4.037 1.00 0.00 C ATOM 1256 O MET A 81 -2.963 8.861 5.103 1.00 0.00 O ATOM 1257 CB MET A 81 -1.047 8.315 2.544 1.00 0.00 C ATOM 1258 CG MET A 81 -1.819 8.895 1.367 1.00 0.00 C ATOM 1259 SD MET A 81 -1.354 10.599 1.002 1.00 0.00 S ATOM 1260 CE MET A 81 -2.774 11.140 0.052 1.00 0.00 C ATOM 0 H MET A 81 -2.416 6.353 1.759 1.00 0.00 H new ATOM 0 HA MET A 81 -1.281 7.114 4.317 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.615 9.133 3.120 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.217 7.720 2.163 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.646 8.279 0.485 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.887 8.852 1.581 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.840 12.228 0.083 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.666 10.813 -0.982 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.681 10.709 0.476 1.00 0.00 H new ATOM 1270 N THR A 82 -4.175 8.267 3.306 1.00 0.00 N ATOM 1271 CA THR A 82 -5.369 9.003 3.717 1.00 0.00 C ATOM 1272 C THR A 82 -6.615 8.135 3.555 1.00 0.00 C ATOM 1273 O THR A 82 -6.671 7.288 2.665 1.00 0.00 O ATOM 1274 CB THR A 82 -5.516 10.281 2.885 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.304 11.020 2.868 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.607 11.203 3.383 1.00 0.00 C ATOM 0 H THR A 82 -4.274 7.771 2.420 1.00 0.00 H new ATOM 0 HA THR A 82 -5.262 9.272 4.768 1.00 0.00 H new ATOM 0 HB THR A 82 -5.782 9.937 1.885 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.463 11.901 2.469 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.655 12.087 2.747 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.564 10.683 3.354 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.389 11.504 4.408 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.608 8.340 4.418 1.00 0.00 N ATOM 1285 CA ALA A 83 -8.840 7.559 4.352 1.00 0.00 C ATOM 1286 C ALA A 83 -9.961 8.323 3.657 1.00 0.00 C ATOM 1287 O ALA A 83 -10.872 7.716 3.091 1.00 0.00 O ATOM 1288 CB ALA A 83 -9.281 7.134 5.743 1.00 0.00 C ATOM 0 H ALA A 83 -7.584 9.034 5.165 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.626 6.670 3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.201 6.553 5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.502 6.525 6.201 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.457 8.019 6.355 1.00 0.00 H new ATOM 1294 N HIS A 84 -9.894 9.651 3.695 1.00 0.00 N ATOM 1295 CA HIS A 84 -10.911 10.484 3.060 1.00 0.00 C ATOM 1296 C HIS A 84 -12.320 9.993 3.414 1.00 0.00 C ATOM 1297 O HIS A 84 -12.505 9.305 4.418 1.00 0.00 O ATOM 1298 CB HIS A 84 -10.687 10.480 1.548 1.00 0.00 C ATOM 1299 CG HIS A 84 -9.648 11.464 1.098 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -9.310 12.588 1.825 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -8.865 11.484 -0.007 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -8.366 13.254 1.187 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -8.077 12.608 0.074 1.00 0.00 N ATOM 0 H HIS A 84 -9.149 10.172 4.157 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.824 11.506 3.430 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.389 9.479 1.235 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.629 10.703 1.048 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.860 10.754 -0.803 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.907 14.173 1.520 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.382 12.895 -0.615 1.00 0.00 H new ATOM 1312 N SER A 85 -13.310 10.353 2.600 1.00 0.00 N ATOM 1313 CA SER A 85 -14.690 9.946 2.852 1.00 0.00 C ATOM 1314 C SER A 85 -14.944 8.515 2.387 1.00 0.00 C ATOM 1315 O SER A 85 -14.072 7.876 1.797 1.00 0.00 O ATOM 1316 CB SER A 85 -15.657 10.900 2.147 1.00 0.00 C ATOM 1317 OG SER A 85 -15.539 10.799 0.738 1.00 0.00 O ATOM 0 H SER A 85 -13.183 10.923 1.764 1.00 0.00 H new ATOM 0 HA SER A 85 -14.858 9.987 3.928 1.00 0.00 H new ATOM 0 HB2 SER A 85 -16.680 10.672 2.446 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.454 11.924 2.459 1.00 0.00 H new ATOM 0 HG SER A 85 -16.169 11.417 0.312 1.00 0.00 H new ATOM 1323 N ASP A 86 -16.150 8.017 2.659 1.00 0.00 N ATOM 1324 CA ASP A 86 -16.531 6.660 2.275 1.00 0.00 C ATOM 1325 C ASP A 86 -15.656 5.626 2.980 1.00 0.00 C ATOM 1326 O ASP A 86 -15.370 4.562 2.432 1.00 0.00 O ATOM 1327 CB ASP A 86 -16.426 6.488 0.757 1.00 0.00 C ATOM 1328 CG ASP A 86 -17.676 6.955 0.035 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -18.014 8.152 0.147 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -18.314 6.123 -0.646 1.00 0.00 O ATOM 0 H ASP A 86 -16.881 8.536 3.145 1.00 0.00 H new ATOM 0 HA ASP A 86 -17.565 6.500 2.581 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.566 7.048 0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -16.246 5.438 0.524 1.00 0.00 H new ATOM 1335 N LEU A 87 -15.235 5.951 4.199 1.00 0.00 N ATOM 1336 CA LEU A 87 -14.381 5.066 4.993 1.00 0.00 C ATOM 1337 C LEU A 87 -14.914 3.632 5.044 1.00 0.00 C ATOM 1338 O LEU A 87 -14.163 2.695 5.317 1.00 0.00 O ATOM 1339 CB LEU A 87 -14.213 5.624 6.406 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.799 6.115 6.727 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.758 6.774 8.097 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.803 4.964 6.655 1.00 0.00 C ATOM 0 H LEU A 87 -15.473 6.828 4.663 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.409 5.027 4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.911 6.450 6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.488 4.851 7.124 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.518 6.859 5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.744 7.116 8.306 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.438 7.625 8.112 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.062 6.054 8.857 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.804 5.333 6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.082 4.196 7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.810 4.539 5.651 1.00 0.00 H new ATOM 1354 N ASP A 88 -16.208 3.463 4.791 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.830 2.138 4.819 1.00 0.00 C ATOM 1356 C ASP A 88 -16.022 1.114 4.020 1.00 0.00 C ATOM 1357 O ASP A 88 -15.868 -0.032 4.446 1.00 0.00 O ATOM 1358 CB ASP A 88 -18.257 2.208 4.268 1.00 0.00 C ATOM 1359 CG ASP A 88 -19.137 1.093 4.800 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -18.594 0.026 5.153 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -20.369 1.288 4.864 1.00 0.00 O ATOM 0 H ASP A 88 -16.848 4.224 4.564 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.854 1.813 5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -18.697 3.170 4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -18.226 2.155 3.180 1.00 0.00 H new ATOM 1366 N ALA A 89 -15.520 1.523 2.858 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.743 0.626 2.007 1.00 0.00 C ATOM 1368 C ALA A 89 -13.422 0.229 2.660 1.00 0.00 C ATOM 1369 O ALA A 89 -12.853 -0.815 2.339 1.00 0.00 O ATOM 1370 CB ALA A 89 -14.490 1.264 0.645 1.00 0.00 C ATOM 0 H ALA A 89 -15.636 2.465 2.485 1.00 0.00 H new ATOM 0 HA ALA A 89 -15.330 -0.282 1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.910 0.581 0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -15.443 1.474 0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.936 2.194 0.776 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.942 1.059 3.579 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.689 0.783 4.275 1.00 0.00 C ATOM 1378 C ALA A 90 -11.893 -0.271 5.354 1.00 0.00 C ATOM 1379 O ALA A 90 -10.968 -0.997 5.707 1.00 0.00 O ATOM 1380 CB ALA A 90 -11.109 2.056 4.876 1.00 0.00 C ATOM 0 H ALA A 90 -13.399 1.926 3.860 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.977 0.396 3.546 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.176 1.824 5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.917 2.778 4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.819 2.479 5.587 1.00 0.00 H new ATOM 1386 N VAL A 91 -13.112 -0.358 5.873 1.00 0.00 N ATOM 1387 CA VAL A 91 -13.416 -1.338 6.903 1.00 0.00 C ATOM 1388 C VAL A 91 -13.360 -2.741 6.321 1.00 0.00 C ATOM 1389 O VAL A 91 -12.862 -3.671 6.957 1.00 0.00 O ATOM 1390 CB VAL A 91 -14.793 -1.110 7.546 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -14.908 -1.933 8.822 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -15.011 0.367 7.836 1.00 0.00 C ATOM 0 H VAL A 91 -13.897 0.233 5.600 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.663 -1.221 7.682 1.00 0.00 H new ATOM 0 HB VAL A 91 -15.567 -1.432 6.849 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -15.886 -1.768 9.274 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -14.792 -2.990 8.585 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -14.129 -1.630 9.522 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -15.991 0.508 8.291 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.240 0.721 8.520 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.958 0.932 6.905 1.00 0.00 H new ATOM 1402 N SER A 92 -13.854 -2.882 5.094 1.00 0.00 N ATOM 1403 CA SER A 92 -13.836 -4.164 4.409 1.00 0.00 C ATOM 1404 C SER A 92 -12.400 -4.545 4.067 1.00 0.00 C ATOM 1405 O SER A 92 -12.092 -5.715 3.838 1.00 0.00 O ATOM 1406 CB SER A 92 -14.683 -4.112 3.136 1.00 0.00 C ATOM 1407 OG SER A 92 -16.015 -3.705 3.414 1.00 0.00 O ATOM 0 H SER A 92 -14.271 -2.122 4.556 1.00 0.00 H new ATOM 0 HA SER A 92 -14.262 -4.918 5.071 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.231 -3.421 2.425 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.693 -5.094 2.664 1.00 0.00 H new ATOM 0 HG SER A 92 -16.530 -3.680 2.581 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.523 -3.544 4.038 1.00 0.00 N ATOM 1414 CA ALA A 93 -10.122 -3.761 3.734 1.00 0.00 C ATOM 1415 C ALA A 93 -9.451 -4.556 4.839 1.00 0.00 C ATOM 1416 O ALA A 93 -8.692 -5.488 4.580 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.426 -2.430 3.514 1.00 0.00 C ATOM 0 H ALA A 93 -11.766 -2.571 4.223 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.046 -4.343 2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.374 -2.603 3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.896 -1.907 2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.507 -1.824 4.416 1.00 0.00 H new ATOM 1423 N TYR A 94 -9.756 -4.205 6.073 1.00 0.00 N ATOM 1424 CA TYR A 94 -9.201 -4.920 7.214 1.00 0.00 C ATOM 1425 C TYR A 94 -9.673 -6.369 7.171 1.00 0.00 C ATOM 1426 O TYR A 94 -9.016 -7.273 7.688 1.00 0.00 O ATOM 1427 CB TYR A 94 -9.623 -4.270 8.535 1.00 0.00 C ATOM 1428 CG TYR A 94 -9.553 -2.758 8.527 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -8.357 -2.101 8.258 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -10.680 -1.988 8.791 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -8.289 -0.721 8.253 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -10.617 -0.607 8.786 1.00 0.00 C ATOM 1433 CZ TYR A 94 -9.420 0.020 8.518 1.00 0.00 C ATOM 1434 OH TYR A 94 -9.355 1.395 8.514 1.00 0.00 O ATOM 0 H TYR A 94 -10.380 -3.435 6.314 1.00 0.00 H new ATOM 0 HA TYR A 94 -8.113 -4.880 7.157 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -10.643 -4.575 8.769 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.986 -4.649 9.334 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.468 -2.678 8.050 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -11.620 -2.476 9.003 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.353 -0.225 8.042 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -11.502 -0.023 8.991 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.239 1.765 8.718 1.00 0.00 H new ATOM 1444 N GLN A 95 -10.822 -6.568 6.530 1.00 0.00 N ATOM 1445 CA GLN A 95 -11.415 -7.888 6.380 1.00 0.00 C ATOM 1446 C GLN A 95 -10.690 -8.673 5.290 1.00 0.00 C ATOM 1447 O GLN A 95 -10.439 -9.869 5.438 1.00 0.00 O ATOM 1448 CB GLN A 95 -12.913 -7.748 6.062 1.00 0.00 C ATOM 1449 CG GLN A 95 -13.539 -8.943 5.352 1.00 0.00 C ATOM 1450 CD GLN A 95 -14.347 -8.535 4.134 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -15.472 -8.998 3.937 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -13.775 -7.664 3.308 1.00 0.00 N ATOM 0 H GLN A 95 -11.365 -5.818 6.102 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.310 -8.441 7.314 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.452 -7.576 6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.056 -6.862 5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.753 -9.634 5.048 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.183 -9.479 6.049 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.841 -7.307 3.510 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.270 -7.353 2.472 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.358 -7.997 4.194 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.667 -8.647 3.092 1.00 0.00 C ATOM 1463 C GLN A 96 -8.193 -8.863 3.416 1.00 0.00 C ATOM 1464 O GLN A 96 -7.533 -9.668 2.769 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.813 -7.849 1.793 1.00 0.00 C ATOM 1466 CG GLN A 96 -9.086 -6.512 1.790 1.00 0.00 C ATOM 1467 CD GLN A 96 -7.656 -6.618 1.299 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -6.753 -6.993 2.046 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -7.446 -6.283 0.033 1.00 0.00 N ATOM 0 H GLN A 96 -10.556 -7.007 4.048 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.134 -9.621 2.948 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.440 -8.453 0.966 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.872 -7.673 1.606 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.630 -5.810 1.158 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.088 -6.101 2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.225 -5.978 -0.550 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.505 -6.331 -0.358 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.684 -8.158 4.427 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.291 -8.318 4.809 1.00 0.00 C ATOM 1480 C GLY A 97 -5.475 -7.042 4.687 1.00 0.00 C ATOM 1481 O GLY A 97 -4.244 -7.092 4.667 1.00 0.00 O ATOM 0 H GLY A 97 -8.209 -7.484 4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.244 -8.672 5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.839 -9.089 4.186 1.00 0.00 H new ATOM 1485 N ALA A 98 -6.147 -5.897 4.613 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.454 -4.619 4.503 1.00 0.00 C ATOM 1487 C ALA A 98 -4.633 -4.340 5.753 1.00 0.00 C ATOM 1488 O ALA A 98 -4.816 -4.994 6.781 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.442 -3.495 4.271 1.00 0.00 C ATOM 0 H ALA A 98 -7.165 -5.828 4.627 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.779 -4.675 3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.905 -2.550 4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.992 -3.679 3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.141 -3.447 5.106 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.721 -3.376 5.669 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.884 -3.040 6.807 1.00 0.00 C ATOM 1497 C PHE A 99 -3.536 -2.012 7.728 1.00 0.00 C ATOM 1498 O PHE A 99 -3.657 -2.246 8.930 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.523 -2.522 6.353 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.488 -2.650 7.427 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.058 -3.899 7.835 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.036 -1.526 8.045 1.00 0.00 C ATOM 1503 CE1 PHE A 99 0.877 -4.030 8.840 1.00 0.00 C ATOM 1504 CE2 PHE A 99 0.976 -1.651 9.050 1.00 0.00 C ATOM 1505 CZ PHE A 99 1.396 -2.906 9.447 1.00 0.00 C ATOM 0 H PHE A 99 -3.546 -2.821 4.831 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.753 -3.963 7.372 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.200 -3.075 5.471 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.613 -1.476 6.059 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.459 -4.783 7.361 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.293 -0.544 7.739 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.202 -5.012 9.151 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.382 -0.770 9.524 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.130 -3.007 10.232 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.941 -0.871 7.165 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.565 0.199 7.951 1.00 0.00 C ATOM 1517 C ASP A 100 -4.655 1.493 7.137 1.00 0.00 C ATOM 1518 O ASP A 100 -4.501 1.481 5.915 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.765 0.451 9.236 1.00 0.00 C ATOM 1520 CG ASP A 100 -2.287 0.627 8.965 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -1.942 1.239 7.932 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -1.472 0.153 9.784 1.00 0.00 O ATOM 0 H ASP A 100 -3.849 -0.663 6.171 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.574 -0.119 8.212 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.150 1.342 9.733 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.910 -0.384 9.922 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.902 2.607 7.826 1.00 0.00 N ATOM 1528 CA TYR A 101 -5.010 3.910 7.174 1.00 0.00 C ATOM 1529 C TYR A 101 -4.309 4.985 7.996 1.00 0.00 C ATOM 1530 O TYR A 101 -4.188 4.865 9.215 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.480 4.289 6.980 1.00 0.00 C ATOM 1532 CG TYR A 101 -7.019 3.935 5.615 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.447 2.647 5.333 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.099 4.892 4.607 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -7.944 2.319 4.087 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.593 4.570 3.358 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.015 3.281 3.103 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.511 2.950 1.860 1.00 0.00 O ATOM 0 H TYR A 101 -5.031 2.632 8.837 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.526 3.841 6.200 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -7.079 3.787 7.740 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.595 5.361 7.140 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.391 1.888 6.100 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.770 5.901 4.805 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.276 1.311 3.884 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.649 5.323 2.585 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.495 3.740 1.281 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.849 6.037 7.325 1.00 0.00 N ATOM 1549 CA LEU A 102 -3.163 7.131 8.005 1.00 0.00 C ATOM 1550 C LEU A 102 -4.080 8.344 8.158 1.00 0.00 C ATOM 1551 O LEU A 102 -4.591 8.873 7.169 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.900 7.524 7.238 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.586 7.243 7.967 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.560 5.827 8.509 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.594 7.470 7.042 1.00 0.00 C ATOM 0 H LEU A 102 -3.938 6.155 6.316 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.883 6.786 9.000 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.891 6.992 6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.950 8.588 7.008 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.512 7.934 8.807 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.385 5.652 9.023 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.385 5.690 9.208 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.662 5.120 7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.521 7.265 7.578 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.516 6.803 6.183 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.594 8.505 6.699 1.00 0.00 H new ATOM 1567 N PRO A 103 -4.304 8.804 9.401 1.00 0.00 N ATOM 1568 CA PRO A 103 -5.165 9.960 9.659 1.00 0.00 C ATOM 1569 C PRO A 103 -4.543 11.269 9.183 1.00 0.00 C ATOM 1570 O PRO A 103 -5.015 11.876 8.223 1.00 0.00 O ATOM 1571 CB PRO A 103 -5.333 9.960 11.182 1.00 0.00 C ATOM 1572 CG PRO A 103 -4.168 9.197 11.717 1.00 0.00 C ATOM 1573 CD PRO A 103 -3.736 8.238 10.640 1.00 0.00 C ATOM 0 HA PRO A 103 -6.110 9.887 9.120 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.348 10.977 11.574 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.274 9.492 11.472 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -3.354 9.872 11.981 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.443 8.659 12.624 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.650 8.166 10.583 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.113 7.233 10.828 1.00 0.00 H new ATOM 1581 N LYS A 104 -3.486 11.704 9.863 1.00 0.00 N ATOM 1582 CA LYS A 104 -2.810 12.947 9.508 1.00 0.00 C ATOM 1583 C LYS A 104 -1.346 12.711 9.120 1.00 0.00 C ATOM 1584 O LYS A 104 -0.949 13.016 7.996 1.00 0.00 O ATOM 1585 CB LYS A 104 -2.905 13.954 10.659 1.00 0.00 C ATOM 1586 CG LYS A 104 -4.337 14.270 11.061 1.00 0.00 C ATOM 1587 CD LYS A 104 -4.396 15.031 12.377 1.00 0.00 C ATOM 1588 CE LYS A 104 -4.911 16.447 12.179 1.00 0.00 C ATOM 1589 NZ LYS A 104 -3.803 17.442 12.154 1.00 0.00 N ATOM 0 H LYS A 104 -3.080 11.215 10.661 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.316 13.358 8.635 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.370 13.560 11.523 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.404 14.877 10.368 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.813 14.860 10.278 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.903 13.343 11.151 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.044 14.502 13.076 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.403 15.063 12.825 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.470 16.503 11.245 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.605 16.697 12.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.196 18.395 12.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -3.285 17.407 13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.154 17.219 11.372 1.00 0.00 H new ATOM 1603 N PRO A 105 -0.515 12.166 10.033 1.00 0.00 N ATOM 1604 CA PRO A 105 0.902 11.907 9.746 1.00 0.00 C ATOM 1605 C PRO A 105 1.099 11.063 8.490 1.00 0.00 C ATOM 1606 O PRO A 105 0.182 10.377 8.038 1.00 0.00 O ATOM 1607 CB PRO A 105 1.400 11.146 10.986 1.00 0.00 C ATOM 1608 CG PRO A 105 0.167 10.712 11.703 1.00 0.00 C ATOM 1609 CD PRO A 105 -0.865 11.759 11.403 1.00 0.00 C ATOM 0 HA PRO A 105 1.445 12.833 9.556 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.012 10.290 10.702 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.018 11.784 11.617 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.160 9.730 11.361 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.345 10.633 12.776 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.878 11.360 11.462 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.811 12.594 12.101 1.00 0.00 H new ATOM 1617 N PHE A 106 2.306 11.115 7.936 1.00 0.00 N ATOM 1618 CA PHE A 106 2.632 10.354 6.737 1.00 0.00 C ATOM 1619 C PHE A 106 4.136 10.419 6.451 1.00 0.00 C ATOM 1620 O PHE A 106 4.915 9.722 7.096 1.00 0.00 O ATOM 1621 CB PHE A 106 1.815 10.861 5.541 1.00 0.00 C ATOM 1622 CG PHE A 106 2.111 10.132 4.257 1.00 0.00 C ATOM 1623 CD1 PHE A 106 1.891 8.768 4.153 1.00 0.00 C ATOM 1624 CD2 PHE A 106 2.612 10.810 3.157 1.00 0.00 C ATOM 1625 CE1 PHE A 106 2.164 8.094 2.979 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.889 10.141 1.979 1.00 0.00 C ATOM 1627 CZ PHE A 106 2.666 8.780 1.890 1.00 0.00 C ATOM 0 H PHE A 106 3.075 11.678 8.300 1.00 0.00 H new ATOM 0 HA PHE A 106 2.369 9.309 6.904 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.754 10.763 5.769 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.014 11.923 5.400 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.501 8.225 5.001 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.788 11.874 3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.985 7.031 2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.279 10.682 1.129 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.884 8.254 0.972 1.00 0.00 H new ATOM 1637 N ASP A 107 4.549 11.253 5.487 1.00 0.00 N ATOM 1638 CA ASP A 107 5.966 11.386 5.131 1.00 0.00 C ATOM 1639 C ASP A 107 6.646 10.017 5.061 1.00 0.00 C ATOM 1640 O ASP A 107 6.015 8.993 5.309 1.00 0.00 O ATOM 1641 CB ASP A 107 6.687 12.299 6.135 1.00 0.00 C ATOM 1642 CG ASP A 107 7.016 11.606 7.443 1.00 0.00 C ATOM 1643 OD1 ASP A 107 6.108 11.458 8.286 1.00 0.00 O ATOM 1644 OD2 ASP A 107 8.188 11.215 7.627 1.00 0.00 O ATOM 0 H ASP A 107 3.922 11.844 4.941 1.00 0.00 H new ATOM 0 HA ASP A 107 6.027 11.841 4.142 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.609 12.667 5.685 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.062 13.169 6.339 1.00 0.00 H new ATOM 1649 N ILE A 108 7.926 9.991 4.717 1.00 0.00 N ATOM 1650 CA ILE A 108 8.649 8.727 4.630 1.00 0.00 C ATOM 1651 C ILE A 108 8.820 8.095 6.003 1.00 0.00 C ATOM 1652 O ILE A 108 8.639 6.890 6.178 1.00 0.00 O ATOM 1653 CB ILE A 108 10.015 8.895 3.924 1.00 0.00 C ATOM 1654 CG1 ILE A 108 9.995 8.203 2.563 1.00 0.00 C ATOM 1655 CG2 ILE A 108 11.153 8.343 4.765 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.821 8.596 1.694 1.00 0.00 C ATOM 0 H ILE A 108 8.481 10.818 4.496 1.00 0.00 H new ATOM 0 HA ILE A 108 8.047 8.053 4.021 1.00 0.00 H new ATOM 0 HB ILE A 108 10.185 9.963 3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.920 8.435 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.977 7.124 2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 108 12.096 8.479 4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.192 8.872 5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.989 7.281 4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.877 8.063 0.745 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.891 8.338 2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.848 9.670 1.510 1.00 0.00 H new ATOM 1668 N ASP A 109 9.185 8.918 6.970 1.00 0.00 N ATOM 1669 CA ASP A 109 9.403 8.450 8.333 1.00 0.00 C ATOM 1670 C ASP A 109 8.237 7.598 8.831 1.00 0.00 C ATOM 1671 O ASP A 109 8.427 6.445 9.204 1.00 0.00 O ATOM 1672 CB ASP A 109 9.621 9.633 9.276 1.00 0.00 C ATOM 1673 CG ASP A 109 10.601 9.313 10.387 1.00 0.00 C ATOM 1674 OD1 ASP A 109 11.776 9.025 10.078 1.00 0.00 O ATOM 1675 OD2 ASP A 109 10.193 9.349 11.567 1.00 0.00 O ATOM 0 H ASP A 109 9.338 9.918 6.839 1.00 0.00 H new ATOM 0 HA ASP A 109 10.297 7.826 8.324 1.00 0.00 H new ATOM 0 HB2 ASP A 109 9.988 10.486 8.706 1.00 0.00 H new ATOM 0 HB3 ASP A 109 8.666 9.928 9.711 1.00 0.00 H new ATOM 1680 N GLU A 110 7.032 8.167 8.849 1.00 0.00 N ATOM 1681 CA GLU A 110 5.862 7.435 9.321 1.00 0.00 C ATOM 1682 C GLU A 110 5.399 6.394 8.307 1.00 0.00 C ATOM 1683 O GLU A 110 4.860 5.352 8.680 1.00 0.00 O ATOM 1684 CB GLU A 110 4.714 8.391 9.670 1.00 0.00 C ATOM 1685 CG GLU A 110 5.077 9.414 10.734 1.00 0.00 C ATOM 1686 CD GLU A 110 5.050 8.836 12.136 1.00 0.00 C ATOM 1687 OE1 GLU A 110 5.636 7.753 12.342 1.00 0.00 O ATOM 1688 OE2 GLU A 110 4.442 9.466 13.026 1.00 0.00 O ATOM 0 H GLU A 110 6.843 9.122 8.545 1.00 0.00 H new ATOM 0 HA GLU A 110 6.159 6.908 10.228 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.400 8.914 8.767 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.859 7.809 10.014 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.072 9.809 10.528 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.383 10.252 10.678 1.00 0.00 H new ATOM 1695 N ALA A 111 5.618 6.667 7.027 1.00 0.00 N ATOM 1696 CA ALA A 111 5.223 5.730 5.984 1.00 0.00 C ATOM 1697 C ALA A 111 6.086 4.479 6.043 1.00 0.00 C ATOM 1698 O ALA A 111 5.586 3.378 6.277 1.00 0.00 O ATOM 1699 CB ALA A 111 5.314 6.370 4.606 1.00 0.00 C ATOM 0 H ALA A 111 6.062 7.521 6.689 1.00 0.00 H new ATOM 0 HA ALA A 111 4.184 5.451 6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 111 5.013 5.647 3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.654 7.236 4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.340 6.686 4.419 1.00 0.00 H new ATOM 1705 N VAL A 112 7.389 4.653 5.840 1.00 0.00 N ATOM 1706 CA VAL A 112 8.322 3.534 5.885 1.00 0.00 C ATOM 1707 C VAL A 112 8.253 2.829 7.233 1.00 0.00 C ATOM 1708 O VAL A 112 8.450 1.618 7.336 1.00 0.00 O ATOM 1709 CB VAL A 112 9.767 3.987 5.631 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.695 2.782 5.589 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.853 4.792 4.343 1.00 0.00 C ATOM 0 H VAL A 112 7.821 5.556 5.643 1.00 0.00 H new ATOM 0 HA VAL A 112 8.028 2.845 5.093 1.00 0.00 H new ATOM 0 HB VAL A 112 10.084 4.632 6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.717 3.116 5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.649 2.254 6.541 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.385 2.112 4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.884 5.105 4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.522 4.176 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.214 5.672 4.421 1.00 0.00 H new ATOM 1721 N ALA A 113 7.959 3.599 8.262 1.00 0.00 N ATOM 1722 CA ALA A 113 7.839 3.064 9.605 1.00 0.00 C ATOM 1723 C ALA A 113 6.679 2.088 9.669 1.00 0.00 C ATOM 1724 O ALA A 113 6.774 1.010 10.259 1.00 0.00 O ATOM 1725 CB ALA A 113 7.607 4.193 10.589 1.00 0.00 C ATOM 0 H ALA A 113 7.798 4.604 8.193 1.00 0.00 H new ATOM 0 HA ALA A 113 8.761 2.544 9.864 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.518 3.785 11.596 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.447 4.887 10.552 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.689 4.720 10.328 1.00 0.00 H new ATOM 1731 N LEU A 114 5.577 2.500 9.062 1.00 0.00 N ATOM 1732 CA LEU A 114 4.362 1.710 9.035 1.00 0.00 C ATOM 1733 C LEU A 114 4.438 0.589 8.001 1.00 0.00 C ATOM 1734 O LEU A 114 3.726 -0.410 8.114 1.00 0.00 O ATOM 1735 CB LEU A 114 3.176 2.631 8.754 1.00 0.00 C ATOM 1736 CG LEU A 114 1.805 1.960 8.677 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.198 1.800 10.065 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.885 2.786 7.799 1.00 0.00 C ATOM 0 H LEU A 114 5.503 3.393 8.575 1.00 0.00 H new ATOM 0 HA LEU A 114 4.233 1.233 10.007 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.142 3.393 9.533 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.359 3.147 7.811 1.00 0.00 H new ATOM 0 HG LEU A 114 1.927 0.967 8.245 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.223 1.320 9.983 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.854 1.185 10.680 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.082 2.781 10.527 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.093 2.307 7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.777 3.784 8.223 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.309 2.861 6.798 1.00 0.00 H new ATOM 1750 N VAL A 115 5.295 0.747 6.999 1.00 0.00 N ATOM 1751 CA VAL A 115 5.437 -0.280 5.971 1.00 0.00 C ATOM 1752 C VAL A 115 6.309 -1.436 6.453 1.00 0.00 C ATOM 1753 O VAL A 115 6.013 -2.603 6.198 1.00 0.00 O ATOM 1754 CB VAL A 115 5.993 0.269 4.638 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.490 0.511 4.715 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.673 -0.690 3.504 1.00 0.00 C ATOM 0 H VAL A 115 5.894 1.563 6.876 1.00 0.00 H new ATOM 0 HA VAL A 115 4.428 -0.645 5.781 1.00 0.00 H new ATOM 0 HB VAL A 115 5.512 1.228 4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.846 0.897 3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.701 1.236 5.501 1.00 0.00 H new ATOM 0 HG13 VAL A 115 7.999 -0.426 4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.069 -0.293 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.127 -1.660 3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.592 -0.806 3.420 1.00 0.00 H new ATOM 1766 N GLU A 116 7.393 -1.095 7.140 1.00 0.00 N ATOM 1767 CA GLU A 116 8.322 -2.094 7.652 1.00 0.00 C ATOM 1768 C GLU A 116 7.627 -3.057 8.609 1.00 0.00 C ATOM 1769 O GLU A 116 7.786 -4.273 8.502 1.00 0.00 O ATOM 1770 CB GLU A 116 9.493 -1.407 8.356 1.00 0.00 C ATOM 1771 CG GLU A 116 10.470 -0.741 7.399 1.00 0.00 C ATOM 1772 CD GLU A 116 11.300 0.334 8.068 1.00 0.00 C ATOM 1773 OE1 GLU A 116 10.711 1.315 8.568 1.00 0.00 O ATOM 1774 OE2 GLU A 116 12.542 0.196 8.092 1.00 0.00 O ATOM 0 H GLU A 116 7.650 -0.132 7.355 1.00 0.00 H new ATOM 0 HA GLU A 116 8.698 -2.671 6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 116 9.103 -0.657 9.045 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.029 -2.143 8.956 1.00 0.00 H new ATOM 0 HG2 GLU A 116 11.133 -1.497 6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.917 -0.303 6.568 1.00 0.00 H new ATOM 1781 N ARG A 117 6.865 -2.509 9.550 1.00 0.00 N ATOM 1782 CA ARG A 117 6.159 -3.328 10.528 1.00 0.00 C ATOM 1783 C ARG A 117 5.198 -4.301 9.851 1.00 0.00 C ATOM 1784 O ARG A 117 4.855 -5.340 10.416 1.00 0.00 O ATOM 1785 CB ARG A 117 5.405 -2.443 11.525 1.00 0.00 C ATOM 1786 CG ARG A 117 4.371 -1.532 10.886 1.00 0.00 C ATOM 1787 CD ARG A 117 3.903 -0.460 11.857 1.00 0.00 C ATOM 1788 NE ARG A 117 2.574 -0.740 12.399 1.00 0.00 N ATOM 1789 CZ ARG A 117 2.243 -0.582 13.679 1.00 0.00 C ATOM 1790 NH1 ARG A 117 3.144 -0.173 14.564 1.00 0.00 N ATOM 1791 NH2 ARG A 117 1.005 -0.833 14.080 1.00 0.00 N ATOM 0 H ARG A 117 6.721 -1.505 9.656 1.00 0.00 H new ATOM 0 HA ARG A 117 6.903 -3.913 11.069 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.909 -3.080 12.258 1.00 0.00 H new ATOM 0 HB3 ARG A 117 6.125 -1.832 12.069 1.00 0.00 H new ATOM 0 HG2 ARG A 117 4.796 -1.062 9.999 1.00 0.00 H new ATOM 0 HG3 ARG A 117 3.517 -2.123 10.555 1.00 0.00 H new ATOM 0 HD2 ARG A 117 4.617 -0.379 12.677 1.00 0.00 H new ATOM 0 HD3 ARG A 117 3.890 0.505 11.350 1.00 0.00 H new ATOM 0 HE ARG A 117 1.857 -1.077 11.757 1.00 0.00 H new ATOM 0 HH11 ARG A 117 4.099 0.023 14.266 1.00 0.00 H new ATOM 0 HH12 ARG A 117 2.881 -0.055 15.542 1.00 0.00 H new ATOM 0 HH21 ARG A 117 0.305 -1.147 13.408 1.00 0.00 H new ATOM 0 HH22 ARG A 117 0.752 -0.712 15.061 1.00 0.00 H new ATOM 1805 N ALA A 118 4.774 -3.961 8.642 1.00 0.00 N ATOM 1806 CA ALA A 118 3.860 -4.808 7.887 1.00 0.00 C ATOM 1807 C ALA A 118 4.560 -6.072 7.404 1.00 0.00 C ATOM 1808 O ALA A 118 3.986 -7.161 7.416 1.00 0.00 O ATOM 1809 CB ALA A 118 3.279 -4.039 6.710 1.00 0.00 C ATOM 0 H ALA A 118 5.048 -3.104 8.162 1.00 0.00 H new ATOM 0 HA ALA A 118 3.046 -5.105 8.548 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.598 -4.684 6.155 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.736 -3.168 7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.086 -3.713 6.054 1.00 0.00 H new ATOM 1815 N ILE A 119 5.807 -5.915 6.983 1.00 0.00 N ATOM 1816 CA ILE A 119 6.606 -7.028 6.497 1.00 0.00 C ATOM 1817 C ILE A 119 7.119 -7.869 7.656 1.00 0.00 C ATOM 1818 O ILE A 119 7.299 -9.080 7.535 1.00 0.00 O ATOM 1819 CB ILE A 119 7.801 -6.517 5.675 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.332 -5.509 4.631 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.543 -7.658 5.006 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.286 -4.353 4.478 1.00 0.00 C ATOM 0 H ILE A 119 6.290 -5.017 6.969 1.00 0.00 H new ATOM 0 HA ILE A 119 5.968 -7.644 5.863 1.00 0.00 H new ATOM 0 HB ILE A 119 8.491 -6.026 6.361 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.218 -6.012 3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.349 -5.130 4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.381 -7.261 4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.916 -8.345 5.766 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.866 -8.189 4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.906 -3.665 3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.381 -3.831 5.430 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.263 -4.726 4.170 1.00 0.00 H new ATOM 1834 N SER A 120 7.344 -7.207 8.782 1.00 0.00 N ATOM 1835 CA SER A 120 7.830 -7.868 9.982 1.00 0.00 C ATOM 1836 C SER A 120 6.774 -8.813 10.538 1.00 0.00 C ATOM 1837 O SER A 120 7.082 -9.922 10.973 1.00 0.00 O ATOM 1838 CB SER A 120 8.211 -6.827 11.038 1.00 0.00 C ATOM 1839 OG SER A 120 9.045 -7.394 12.034 1.00 0.00 O ATOM 0 H SER A 120 7.196 -6.203 8.888 1.00 0.00 H new ATOM 0 HA SER A 120 8.714 -8.451 9.722 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.724 -5.992 10.562 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.309 -6.425 11.500 1.00 0.00 H new ATOM 0 HG SER A 120 9.276 -6.709 12.696 1.00 0.00 H new ATOM 1845 N HIS A 121 5.521 -8.363 10.520 1.00 0.00 N ATOM 1846 CA HIS A 121 4.412 -9.166 11.022 1.00 0.00 C ATOM 1847 C HIS A 121 4.077 -10.298 10.057 1.00 0.00 C ATOM 1848 O HIS A 121 3.502 -11.314 10.453 1.00 0.00 O ATOM 1849 CB HIS A 121 3.180 -8.288 11.243 1.00 0.00 C ATOM 1850 CG HIS A 121 3.132 -7.659 12.601 1.00 0.00 C ATOM 1851 ND1 HIS A 121 3.946 -6.611 12.975 1.00 0.00 N ATOM 1852 CD2 HIS A 121 2.359 -7.937 13.679 1.00 0.00 C ATOM 1853 CE1 HIS A 121 3.677 -6.271 14.224 1.00 0.00 C ATOM 1854 NE2 HIS A 121 2.719 -7.059 14.672 1.00 0.00 N ATOM 0 H HIS A 121 5.250 -7.447 10.163 1.00 0.00 H new ATOM 0 HA HIS A 121 4.715 -9.603 11.973 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.162 -7.503 10.487 1.00 0.00 H new ATOM 0 HB3 HIS A 121 2.283 -8.891 11.098 1.00 0.00 H new ATOM 0 HD1 HIS A 121 4.646 -6.167 12.381 1.00 0.00 H new ATOM 0 HD2 HIS A 121 1.602 -8.705 13.745 1.00 0.00 H new ATOM 0 HE1 HIS A 121 4.160 -5.482 14.782 1.00 0.00 H new ATOM 1863 N TYR A 122 4.439 -10.119 8.793 1.00 0.00 N ATOM 1864 CA TYR A 122 4.180 -11.126 7.773 1.00 0.00 C ATOM 1865 C TYR A 122 5.059 -12.352 7.991 1.00 0.00 C ATOM 1866 O TYR A 122 4.559 -13.457 8.201 1.00 0.00 O ATOM 1867 CB TYR A 122 4.421 -10.549 6.378 1.00 0.00 C ATOM 1868 CG TYR A 122 3.714 -11.309 5.277 1.00 0.00 C ATOM 1869 CD1 TYR A 122 2.345 -11.535 5.332 1.00 0.00 C ATOM 1870 CD2 TYR A 122 4.417 -11.803 4.185 1.00 0.00 C ATOM 1871 CE1 TYR A 122 1.695 -12.228 4.330 1.00 0.00 C ATOM 1872 CE2 TYR A 122 3.775 -12.498 3.180 1.00 0.00 C ATOM 1873 CZ TYR A 122 2.415 -12.709 3.255 1.00 0.00 C ATOM 1874 OH TYR A 122 1.772 -13.401 2.255 1.00 0.00 O ATOM 0 H TYR A 122 4.914 -9.284 8.450 1.00 0.00 H new ATOM 0 HA TYR A 122 3.136 -11.429 7.852 1.00 0.00 H new ATOM 0 HB2 TYR A 122 4.090 -9.511 6.361 1.00 0.00 H new ATOM 0 HB3 TYR A 122 5.492 -10.545 6.176 1.00 0.00 H new ATOM 0 HD1 TYR A 122 1.779 -11.162 6.173 1.00 0.00 H new ATOM 0 HD2 TYR A 122 5.483 -11.641 4.122 1.00 0.00 H new ATOM 0 HE1 TYR A 122 0.629 -12.393 4.387 1.00 0.00 H new ATOM 0 HE2 TYR A 122 4.336 -12.875 2.338 1.00 0.00 H new ATOM 0 HH TYR A 122 2.422 -13.669 1.572 1.00 0.00 H new ATOM 1884 N GLN A 123 6.376 -12.142 7.940 1.00 0.00 N ATOM 1885 CA GLN A 123 7.351 -13.216 8.131 1.00 0.00 C ATOM 1886 C GLN A 123 6.940 -14.493 7.398 1.00 0.00 C ATOM 1887 O GLN A 123 6.019 -14.482 6.580 1.00 0.00 O ATOM 1888 CB GLN A 123 7.557 -13.498 9.627 1.00 0.00 C ATOM 1889 CG GLN A 123 6.327 -14.037 10.339 1.00 0.00 C ATOM 1890 CD GLN A 123 6.530 -14.148 11.839 1.00 0.00 C ATOM 1891 OE1 GLN A 123 7.364 -13.450 12.415 1.00 0.00 O ATOM 1892 NE2 GLN A 123 5.767 -15.025 12.479 1.00 0.00 N ATOM 0 H GLN A 123 6.794 -11.228 7.766 1.00 0.00 H new ATOM 0 HA GLN A 123 8.295 -12.880 7.702 1.00 0.00 H new ATOM 0 HB2 GLN A 123 8.371 -14.214 9.741 1.00 0.00 H new ATOM 0 HB3 GLN A 123 7.872 -12.577 10.118 1.00 0.00 H new ATOM 0 HG2 GLN A 123 5.478 -13.384 10.137 1.00 0.00 H new ATOM 0 HG3 GLN A 123 6.077 -15.018 9.935 1.00 0.00 H new ATOM 0 HE21 GLN A 123 5.088 -15.583 11.962 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.860 -15.141 13.488 1.00 0.00 H new ATOM 1901 N GLU A 124 7.635 -15.588 7.686 1.00 0.00 N ATOM 1902 CA GLU A 124 7.347 -16.866 7.048 1.00 0.00 C ATOM 1903 C GLU A 124 7.495 -16.761 5.533 1.00 0.00 C ATOM 1904 O GLU A 124 8.571 -17.008 4.986 1.00 0.00 O ATOM 1905 CB GLU A 124 5.934 -17.332 7.401 1.00 0.00 C ATOM 1906 CG GLU A 124 5.651 -18.771 7.005 1.00 0.00 C ATOM 1907 CD GLU A 124 4.422 -19.336 7.692 1.00 0.00 C ATOM 1908 OE1 GLU A 124 4.485 -19.579 8.915 1.00 0.00 O ATOM 1909 OE2 GLU A 124 3.397 -19.533 7.006 1.00 0.00 O ATOM 0 H GLU A 124 8.402 -15.616 8.358 1.00 0.00 H new ATOM 0 HA GLU A 124 8.065 -17.598 7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 124 5.782 -17.223 8.475 1.00 0.00 H new ATOM 0 HB3 GLU A 124 5.212 -16.680 6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 124 5.516 -18.827 5.925 1.00 0.00 H new ATOM 0 HG3 GLU A 124 6.515 -19.388 7.251 1.00 0.00 H new TER 1916 GLU A 124