USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 827 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 71 ASN : amide:sc= -1.28! C(o=-1.4!,f=-4.9!) USER MOD Set 1.2: A 73 THR OG1 : rot -160:sc= -0.078 USER MOD Set 2.1: A 69 SER OG : rot 140:sc= 0 USER MOD Set 2.2: A 77 THR OG1 : rot -129:sc= -0.0085 USER MOD Set 3.1: A 6 TYR OH : rot 88:sc= 0.993 USER MOD Set 3.2: A 7 ASN : amide:sc= -1.78 K(o=-0.79,f=-2.9!) USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.018 (180deg=0) USER MOD Single : A 11 MET CE :methyl 142:sc= -1.06 (180deg=-2.66!) USER MOD Single : A 17 GLN : amide:sc= 0.298 K(o=0.3,f=-0.4) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -113:sc= -1.69 (180deg=-1.84) USER MOD Single : A 64 MET CE :methyl -151:sc= 0 (180deg=-0.309) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0281) USER MOD Single : A 81 THR OG1 : rot 79:sc= 0.475 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.149 K(o=0.15,f=-11!) USER MOD Single : A 87 SER OG : rot 80:sc= 1.22 USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 92 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.0024) USER MOD Single : A 93 TYR OH : rot -90:sc= 1.05 USER MOD Single : A 96 GLN : amide:sc= -0.748 K(o=-0.75,f=-6.4!) USER MOD Single : A 102 SER OG : rot 142:sc= -0.95! USER MOD Single : A 108 MET CE :methyl 179:sc= -1.56 (180deg=-1.56) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot -90:sc= -1.41 USER MOD Single : A 119 LYS NZ :NH3+ -168:sc=-0.00771 (180deg=-0.146) USER MOD Single : A 124 SER OG : rot -27:sc= 0.336 USER MOD Single : A 125 GLN : amide:sc= -0.587 K(o=-0.59,f=-3.8!) USER MOD Single : A 128 CYS SG : rot -21:sc= 1.22 USER MOD Single : A 132 THR OG1 : rot -7:sc= 0.0915 USER MOD Single : A 136 GLN : amide:sc= 0.652 K(o=0.65,f=-0.099) USER MOD Single : A 137 MET CE :methyl -110:sc= -0.368 (180deg=-2.57) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.129 -19.772 10.777 1.00 0.00 N ATOM 2 CA GLY A 1 1.119 -18.675 10.920 1.00 0.00 C ATOM 3 C GLY A 1 2.194 -18.762 9.860 1.00 0.00 C ATOM 4 O GLY A 1 2.640 -19.863 9.529 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.171 -20.094 11.719 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.698 -19.427 10.249 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.562 -20.565 10.262 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.612 -17.713 10.848 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.576 -18.721 11.909 1.00 0.00 H new ATOM 10 N ASP A 2 2.642 -17.605 9.363 1.00 0.00 N ATOM 11 CA ASP A 2 3.567 -17.518 8.227 1.00 0.00 C ATOM 12 C ASP A 2 3.499 -16.111 7.644 1.00 0.00 C ATOM 13 O ASP A 2 2.410 -15.632 7.315 1.00 0.00 O ATOM 14 CB ASP A 2 3.236 -18.528 7.114 1.00 0.00 C ATOM 15 CG ASP A 2 4.302 -18.559 6.024 1.00 0.00 C ATOM 16 OD1 ASP A 2 4.198 -17.788 5.047 1.00 0.00 O ATOM 17 OD2 ASP A 2 5.252 -19.366 6.136 1.00 0.00 O ATOM 0 H ASP A 2 2.372 -16.696 9.739 1.00 0.00 H new ATOM 0 HA ASP A 2 4.565 -17.750 8.599 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.134 -19.523 7.548 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.273 -18.274 6.670 1.00 0.00 H new ATOM 22 N ILE A 3 4.647 -15.442 7.576 1.00 0.00 N ATOM 23 CA ILE A 3 4.781 -14.121 6.943 1.00 0.00 C ATOM 24 C ILE A 3 4.143 -12.994 7.780 1.00 0.00 C ATOM 25 O ILE A 3 4.607 -11.853 7.735 1.00 0.00 O ATOM 26 CB ILE A 3 4.216 -14.112 5.479 1.00 0.00 C ATOM 27 CG1 ILE A 3 5.253 -13.519 4.506 1.00 0.00 C ATOM 28 CG2 ILE A 3 2.890 -13.345 5.380 1.00 0.00 C ATOM 29 CD1 ILE A 3 4.825 -13.550 3.050 1.00 0.00 C ATOM 0 H ILE A 3 5.522 -15.800 7.960 1.00 0.00 H new ATOM 0 HA ILE A 3 5.851 -13.921 6.893 1.00 0.00 H new ATOM 0 HB ILE A 3 4.017 -15.147 5.200 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.455 -12.487 4.792 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.189 -14.068 4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.535 -13.364 4.350 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.149 -13.814 6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.043 -12.312 5.692 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.609 -13.115 2.431 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.651 -14.582 2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 3 3.906 -12.976 2.928 1.00 0.00 H new ATOM 41 N ARG A 4 3.109 -13.317 8.565 1.00 0.00 N ATOM 42 CA ARG A 4 2.381 -12.313 9.352 1.00 0.00 C ATOM 43 C ARG A 4 3.322 -11.508 10.246 1.00 0.00 C ATOM 44 O ARG A 4 2.999 -10.393 10.655 1.00 0.00 O ATOM 45 CB ARG A 4 1.303 -12.974 10.224 1.00 0.00 C ATOM 46 CG ARG A 4 0.211 -13.689 9.438 1.00 0.00 C ATOM 47 CD ARG A 4 -0.861 -14.246 10.366 1.00 0.00 C ATOM 48 NE ARG A 4 -1.957 -14.884 9.634 1.00 0.00 N ATOM 49 CZ ARG A 4 -3.252 -14.685 9.902 1.00 0.00 C ATOM 50 NH1 ARG A 4 -3.622 -13.814 10.839 1.00 0.00 N ATOM 51 NH2 ARG A 4 -4.176 -15.348 9.222 1.00 0.00 N ATOM 0 H ARG A 4 2.756 -14.268 8.673 1.00 0.00 H new ATOM 0 HA ARG A 4 1.908 -11.636 8.640 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.782 -13.690 10.892 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.842 -12.211 10.852 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.242 -12.997 8.728 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.649 -14.500 8.857 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -0.410 -14.971 11.044 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.260 -13.439 10.981 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.718 -15.519 8.873 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.916 -13.293 11.358 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.612 -13.668 11.037 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.899 -16.009 8.496 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.164 -15.198 9.425 1.00 0.00 H new ATOM 65 N ASP A 5 4.480 -12.086 10.547 1.00 0.00 N ATOM 66 CA ASP A 5 5.480 -11.429 11.381 1.00 0.00 C ATOM 67 C ASP A 5 5.909 -10.096 10.771 1.00 0.00 C ATOM 68 O ASP A 5 5.994 -9.083 11.474 1.00 0.00 O ATOM 69 CB ASP A 5 6.698 -12.343 11.573 1.00 0.00 C ATOM 70 CG ASP A 5 6.336 -13.653 12.254 1.00 0.00 C ATOM 71 OD1 ASP A 5 5.987 -14.623 11.543 1.00 0.00 O ATOM 72 OD2 ASP A 5 6.388 -13.719 13.501 1.00 0.00 O ATOM 0 H ASP A 5 4.750 -13.015 10.223 1.00 0.00 H new ATOM 0 HA ASP A 5 5.033 -11.230 12.355 1.00 0.00 H new ATOM 0 HB2 ASP A 5 7.148 -12.553 10.603 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.449 -11.823 12.167 1.00 0.00 H new ATOM 77 N TYR A 6 6.165 -10.091 9.459 1.00 0.00 N ATOM 78 CA TYR A 6 6.576 -8.866 8.774 1.00 0.00 C ATOM 79 C TYR A 6 5.407 -7.889 8.760 1.00 0.00 C ATOM 80 O TYR A 6 5.581 -6.690 8.965 1.00 0.00 O ATOM 81 CB TYR A 6 7.083 -9.150 7.336 1.00 0.00 C ATOM 82 CG TYR A 6 6.065 -8.923 6.217 1.00 0.00 C ATOM 83 CD1 TYR A 6 5.856 -7.650 5.684 1.00 0.00 C ATOM 84 CD2 TYR A 6 5.321 -9.975 5.693 1.00 0.00 C ATOM 85 CE1 TYR A 6 4.940 -7.438 4.671 1.00 0.00 C ATOM 86 CE2 TYR A 6 4.405 -9.770 4.676 1.00 0.00 C ATOM 87 CZ TYR A 6 4.217 -8.500 4.170 1.00 0.00 C ATOM 88 OH TYR A 6 3.313 -8.293 3.150 1.00 0.00 O ATOM 0 H TYR A 6 6.096 -10.912 8.858 1.00 0.00 H new ATOM 0 HA TYR A 6 7.413 -8.426 9.317 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.951 -8.519 7.146 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.423 -10.184 7.288 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.421 -6.815 6.071 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.461 -10.971 6.087 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.791 -6.445 4.274 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.840 -10.601 4.280 1.00 0.00 H new ATOM 0 HH TYR A 6 3.769 -8.379 2.287 1.00 0.00 H new ATOM 98 N ASN A 7 4.212 -8.427 8.522 1.00 0.00 N ATOM 99 CA ASN A 7 2.993 -7.628 8.548 1.00 0.00 C ATOM 100 C ASN A 7 2.930 -6.831 9.847 1.00 0.00 C ATOM 101 O ASN A 7 3.116 -5.617 9.847 1.00 0.00 O ATOM 102 CB ASN A 7 1.742 -8.515 8.391 1.00 0.00 C ATOM 103 CG ASN A 7 1.524 -8.975 6.957 1.00 0.00 C ATOM 104 OD1 ASN A 7 1.839 -8.258 6.015 1.00 0.00 O ATOM 105 ND2 ASN A 7 0.980 -10.173 6.781 1.00 0.00 N ATOM 0 H ASN A 7 4.064 -9.414 8.309 1.00 0.00 H new ATOM 0 HA ASN A 7 3.012 -6.936 7.706 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.837 -9.387 9.038 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.865 -7.962 8.728 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.812 -10.523 5.838 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.730 -10.743 7.589 1.00 0.00 H new ATOM 112 N ASP A 8 2.738 -7.529 10.955 1.00 0.00 N ATOM 113 CA ASP A 8 2.615 -6.884 12.258 1.00 0.00 C ATOM 114 C ASP A 8 3.804 -5.958 12.535 1.00 0.00 C ATOM 115 O ASP A 8 3.649 -4.731 12.609 1.00 0.00 O ATOM 116 CB ASP A 8 2.501 -7.943 13.364 1.00 0.00 C ATOM 117 CG ASP A 8 2.319 -7.328 14.745 1.00 0.00 C ATOM 118 OD1 ASP A 8 1.281 -6.668 14.969 1.00 0.00 O ATOM 119 OD2 ASP A 8 3.200 -7.505 15.610 1.00 0.00 O ATOM 0 H ASP A 8 2.663 -8.546 10.981 1.00 0.00 H new ATOM 0 HA ASP A 8 1.710 -6.277 12.249 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.658 -8.599 13.148 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.397 -8.564 13.362 1.00 0.00 H new ATOM 124 N ALA A 9 4.992 -6.549 12.634 1.00 0.00 N ATOM 125 CA ALA A 9 6.184 -5.821 13.060 1.00 0.00 C ATOM 126 C ALA A 9 6.621 -4.774 12.036 1.00 0.00 C ATOM 127 O ALA A 9 6.691 -3.581 12.346 1.00 0.00 O ATOM 128 CB ALA A 9 7.325 -6.794 13.336 1.00 0.00 C ATOM 0 H ALA A 9 5.155 -7.534 12.424 1.00 0.00 H new ATOM 0 HA ALA A 9 5.928 -5.290 13.977 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.208 -6.239 13.653 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.030 -7.487 14.124 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.554 -7.353 12.429 1.00 0.00 H new ATOM 134 N ASP A 10 6.906 -5.214 10.812 1.00 0.00 N ATOM 135 CA ASP A 10 7.503 -4.334 9.809 1.00 0.00 C ATOM 136 C ASP A 10 6.523 -3.274 9.322 1.00 0.00 C ATOM 137 O ASP A 10 6.938 -2.148 9.038 1.00 0.00 O ATOM 138 CB ASP A 10 8.078 -5.131 8.629 1.00 0.00 C ATOM 139 CG ASP A 10 9.393 -5.810 8.984 1.00 0.00 C ATOM 140 OD1 ASP A 10 10.459 -5.173 8.820 1.00 0.00 O ATOM 141 OD2 ASP A 10 9.372 -6.969 9.447 1.00 0.00 O ATOM 0 H ASP A 10 6.735 -6.167 10.492 1.00 0.00 H new ATOM 0 HA ASP A 10 8.328 -3.816 10.298 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.355 -5.884 8.314 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.233 -4.463 7.782 1.00 0.00 H new ATOM 146 N MET A 11 5.229 -3.602 9.225 1.00 0.00 N ATOM 147 CA MET A 11 4.251 -2.585 8.844 1.00 0.00 C ATOM 148 C MET A 11 4.116 -1.570 9.973 1.00 0.00 C ATOM 149 O MET A 11 4.068 -0.370 9.724 1.00 0.00 O ATOM 150 CB MET A 11 2.880 -3.183 8.494 1.00 0.00 C ATOM 151 CG MET A 11 2.864 -4.077 7.251 1.00 0.00 C ATOM 152 SD MET A 11 3.123 -3.173 5.707 1.00 0.00 S ATOM 153 CE MET A 11 4.909 -3.148 5.577 1.00 0.00 C ATOM 0 H MET A 11 4.847 -4.532 9.399 1.00 0.00 H new ATOM 0 HA MET A 11 4.615 -2.096 7.941 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.525 -3.764 9.346 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.171 -2.368 8.346 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.638 -4.838 7.351 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.908 -4.599 7.201 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.200 -3.276 4.534 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.287 -2.194 5.945 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.329 -3.959 6.172 1.00 0.00 H new ATOM 163 N ALA A 12 4.090 -2.050 11.221 1.00 0.00 N ATOM 164 CA ALA A 12 4.044 -1.148 12.371 1.00 0.00 C ATOM 165 C ALA A 12 5.191 -0.137 12.303 1.00 0.00 C ATOM 166 O ALA A 12 4.978 1.070 12.409 1.00 0.00 O ATOM 167 CB ALA A 12 4.109 -1.933 13.677 1.00 0.00 C ATOM 0 H ALA A 12 4.100 -3.042 11.456 1.00 0.00 H new ATOM 0 HA ALA A 12 3.098 -0.607 12.342 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.073 -1.242 14.519 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.262 -2.617 13.733 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.038 -2.502 13.714 1.00 0.00 H new ATOM 173 N ARG A 13 6.401 -0.649 12.086 1.00 0.00 N ATOM 174 CA ARG A 13 7.601 0.188 12.044 1.00 0.00 C ATOM 175 C ARG A 13 7.578 1.132 10.841 1.00 0.00 C ATOM 176 O ARG A 13 7.967 2.296 10.950 1.00 0.00 O ATOM 177 CB ARG A 13 8.872 -0.679 12.020 1.00 0.00 C ATOM 178 CG ARG A 13 9.024 -1.565 13.253 1.00 0.00 C ATOM 179 CD ARG A 13 10.397 -2.226 13.327 1.00 0.00 C ATOM 180 NE ARG A 13 10.649 -3.163 12.225 1.00 0.00 N ATOM 181 CZ ARG A 13 11.594 -4.109 12.259 1.00 0.00 C ATOM 182 NH1 ARG A 13 12.377 -4.231 13.325 1.00 0.00 N ATOM 183 NH2 ARG A 13 11.761 -4.928 11.227 1.00 0.00 N ATOM 0 H ARG A 13 6.578 -1.642 11.936 1.00 0.00 H new ATOM 0 HA ARG A 13 7.611 0.795 12.950 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.857 -1.308 11.130 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.744 -0.030 11.938 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.863 -0.966 14.150 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.253 -2.335 13.241 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.166 -1.453 13.321 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.487 -2.757 14.275 1.00 0.00 H new ATOM 0 HE ARG A 13 10.072 -3.088 11.387 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.258 -3.603 14.120 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.097 -4.953 13.349 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.167 -4.837 10.403 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.483 -5.648 11.259 1.00 0.00 H new ATOM 197 N LEU A 14 7.107 0.630 9.700 1.00 0.00 N ATOM 198 CA LEU A 14 7.072 1.415 8.467 1.00 0.00 C ATOM 199 C LEU A 14 6.080 2.574 8.586 1.00 0.00 C ATOM 200 O LEU A 14 6.422 3.728 8.325 1.00 0.00 O ATOM 201 CB LEU A 14 6.701 0.519 7.275 1.00 0.00 C ATOM 202 CG LEU A 14 6.683 1.215 5.900 1.00 0.00 C ATOM 203 CD1 LEU A 14 8.063 1.768 5.547 1.00 0.00 C ATOM 204 CD2 LEU A 14 6.194 0.252 4.819 1.00 0.00 C ATOM 0 H LEU A 14 6.744 -0.318 9.604 1.00 0.00 H new ATOM 0 HA LEU A 14 8.066 1.831 8.300 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.407 -0.311 7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.716 0.090 7.458 1.00 0.00 H new ATOM 0 HG LEU A 14 5.990 2.054 5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.022 2.254 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.368 2.493 6.301 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.785 0.952 5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.188 0.760 3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.860 -0.609 4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.185 -0.083 5.059 1.00 0.00 H new ATOM 216 N LEU A 15 4.854 2.261 8.995 1.00 0.00 N ATOM 217 CA LEU A 15 3.805 3.271 9.110 1.00 0.00 C ATOM 218 C LEU A 15 4.082 4.227 10.266 1.00 0.00 C ATOM 219 O LEU A 15 3.688 5.390 10.209 1.00 0.00 O ATOM 220 CB LEU A 15 2.415 2.625 9.271 1.00 0.00 C ATOM 221 CG LEU A 15 1.798 2.034 7.988 1.00 0.00 C ATOM 222 CD1 LEU A 15 1.775 3.073 6.870 1.00 0.00 C ATOM 223 CD2 LEU A 15 2.537 0.776 7.544 1.00 0.00 C ATOM 0 H LEU A 15 4.562 1.318 9.252 1.00 0.00 H new ATOM 0 HA LEU A 15 3.808 3.844 8.183 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.488 1.832 10.015 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.731 3.374 9.669 1.00 0.00 H new ATOM 0 HG LEU A 15 0.770 1.751 8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.336 2.634 5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.180 3.931 7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.793 3.397 6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.077 0.385 6.637 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.581 1.018 7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.482 0.025 8.332 1.00 0.00 H new ATOM 235 N GLU A 16 4.765 3.741 11.305 1.00 0.00 N ATOM 236 CA GLU A 16 5.126 4.586 12.446 1.00 0.00 C ATOM 237 C GLU A 16 5.925 5.803 11.970 1.00 0.00 C ATOM 238 O GLU A 16 5.798 6.903 12.518 1.00 0.00 O ATOM 239 CB GLU A 16 5.937 3.786 13.478 1.00 0.00 C ATOM 240 CG GLU A 16 6.186 4.531 14.789 1.00 0.00 C ATOM 241 CD GLU A 16 4.913 4.763 15.597 1.00 0.00 C ATOM 242 OE1 GLU A 16 4.131 5.670 15.247 1.00 0.00 O ATOM 243 OE2 GLU A 16 4.696 4.048 16.602 1.00 0.00 O ATOM 0 H GLU A 16 5.078 2.773 11.380 1.00 0.00 H new ATOM 0 HA GLU A 16 4.209 4.932 12.924 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.412 2.856 13.695 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.897 3.515 13.039 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.894 3.964 15.393 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.651 5.492 14.571 1.00 0.00 H new ATOM 250 N GLN A 17 6.745 5.598 10.938 1.00 0.00 N ATOM 251 CA GLN A 17 7.487 6.691 10.317 1.00 0.00 C ATOM 252 C GLN A 17 6.515 7.708 9.725 1.00 0.00 C ATOM 253 O GLN A 17 6.579 8.897 10.036 1.00 0.00 O ATOM 254 CB GLN A 17 8.428 6.155 9.226 1.00 0.00 C ATOM 255 CG GLN A 17 9.139 7.249 8.435 1.00 0.00 C ATOM 256 CD GLN A 17 10.020 8.138 9.299 1.00 0.00 C ATOM 257 OE1 GLN A 17 10.594 7.694 10.295 1.00 0.00 O ATOM 258 NE2 GLN A 17 10.117 9.405 8.936 1.00 0.00 N ATOM 0 H GLN A 17 6.911 4.684 10.516 1.00 0.00 H new ATOM 0 HA GLN A 17 8.092 7.180 11.080 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.175 5.510 9.688 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.854 5.535 8.537 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.750 6.788 7.659 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.395 7.866 7.931 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.627 9.736 8.105 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.682 10.052 9.487 1.00 0.00 H new ATOM 267 N TRP A 18 5.595 7.217 8.893 1.00 0.00 N ATOM 268 CA TRP A 18 4.590 8.067 8.254 1.00 0.00 C ATOM 269 C TRP A 18 3.761 8.812 9.297 1.00 0.00 C ATOM 270 O TRP A 18 3.374 9.967 9.089 1.00 0.00 O ATOM 271 CB TRP A 18 3.677 7.228 7.347 1.00 0.00 C ATOM 272 CG TRP A 18 4.358 6.759 6.095 1.00 0.00 C ATOM 273 CD1 TRP A 18 5.286 5.764 5.985 1.00 0.00 C ATOM 274 CD2 TRP A 18 4.164 7.277 4.774 1.00 0.00 C ATOM 275 NE1 TRP A 18 5.684 5.635 4.677 1.00 0.00 N ATOM 276 CE2 TRP A 18 5.009 6.551 3.915 1.00 0.00 C ATOM 277 CE3 TRP A 18 3.355 8.282 4.236 1.00 0.00 C ATOM 278 CZ2 TRP A 18 5.072 6.802 2.548 1.00 0.00 C ATOM 279 CZ3 TRP A 18 3.418 8.531 2.878 1.00 0.00 C ATOM 280 CH2 TRP A 18 4.269 7.791 2.046 1.00 0.00 C ATOM 0 H TRP A 18 5.526 6.230 8.645 1.00 0.00 H new ATOM 0 HA TRP A 18 5.110 8.805 7.643 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.318 6.362 7.904 1.00 0.00 H new ATOM 0 HB3 TRP A 18 2.801 7.819 7.077 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.653 5.166 6.806 1.00 0.00 H new ATOM 0 HE1 TRP A 18 6.371 4.966 4.330 1.00 0.00 H new ATOM 0 HE3 TRP A 18 2.693 8.853 4.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 5.731 6.237 1.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.802 9.308 2.451 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.292 8.005 0.988 1.00 0.00 H new ATOM 291 N GLU A 19 3.491 8.145 10.417 1.00 0.00 N ATOM 292 CA GLU A 19 2.795 8.770 11.532 1.00 0.00 C ATOM 293 C GLU A 19 3.614 9.940 12.056 1.00 0.00 C ATOM 294 O GLU A 19 3.106 11.051 12.194 1.00 0.00 O ATOM 295 CB GLU A 19 2.538 7.761 12.664 1.00 0.00 C ATOM 296 CG GLU A 19 1.561 6.644 12.302 1.00 0.00 C ATOM 297 CD GLU A 19 0.194 7.160 11.875 1.00 0.00 C ATOM 298 OE1 GLU A 19 -0.269 8.185 12.426 1.00 0.00 O ATOM 299 OE2 GLU A 19 -0.431 6.548 10.982 1.00 0.00 O ATOM 0 H GLU A 19 3.746 7.170 10.574 1.00 0.00 H new ATOM 0 HA GLU A 19 1.830 9.129 11.175 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.488 7.315 12.960 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.153 8.297 13.532 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.985 6.046 11.495 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.441 5.982 13.160 1.00 0.00 H new ATOM 306 N LYS A 20 4.897 9.687 12.310 1.00 0.00 N ATOM 307 CA LYS A 20 5.780 10.700 12.874 1.00 0.00 C ATOM 308 C LYS A 20 5.981 11.863 11.906 1.00 0.00 C ATOM 309 O LYS A 20 6.087 13.007 12.335 1.00 0.00 O ATOM 310 CB LYS A 20 7.131 10.091 13.281 1.00 0.00 C ATOM 311 CG LYS A 20 8.113 11.119 13.850 1.00 0.00 C ATOM 312 CD LYS A 20 9.256 10.468 14.624 1.00 0.00 C ATOM 313 CE LYS A 20 8.744 9.702 15.839 1.00 0.00 C ATOM 314 NZ LYS A 20 9.848 9.273 16.739 1.00 0.00 N ATOM 0 H LYS A 20 5.346 8.788 12.133 1.00 0.00 H new ATOM 0 HA LYS A 20 5.300 11.091 13.771 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.961 9.312 14.024 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.581 9.611 12.412 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.523 11.715 13.035 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.577 11.804 14.507 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.801 9.789 13.968 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.961 11.234 14.946 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.047 10.330 16.395 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.188 8.826 15.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.453 8.756 17.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.500 8.653 16.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.364 10.110 17.079 1.00 0.00 H new ATOM 328 N ASP A 21 6.022 11.578 10.605 1.00 0.00 N ATOM 329 CA ASP A 21 6.155 12.635 9.598 1.00 0.00 C ATOM 330 C ASP A 21 4.908 13.513 9.594 1.00 0.00 C ATOM 331 O ASP A 21 5.000 14.743 9.567 1.00 0.00 O ATOM 332 CB ASP A 21 6.399 12.051 8.196 1.00 0.00 C ATOM 333 CG ASP A 21 7.763 11.390 8.059 1.00 0.00 C ATOM 334 OD1 ASP A 21 8.762 11.957 8.562 1.00 0.00 O ATOM 335 OD2 ASP A 21 7.847 10.314 7.433 1.00 0.00 O ATOM 0 H ASP A 21 5.966 10.634 10.224 1.00 0.00 H new ATOM 0 HA ASP A 21 7.022 13.242 9.861 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.622 11.320 7.972 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.310 12.846 7.456 1.00 0.00 H new ATOM 340 N ASP A 22 3.742 12.866 9.634 1.00 0.00 N ATOM 341 CA ASP A 22 2.461 13.569 9.742 1.00 0.00 C ATOM 342 C ASP A 22 2.410 14.364 11.056 1.00 0.00 C ATOM 343 O ASP A 22 1.839 15.455 11.111 1.00 0.00 O ATOM 344 CB ASP A 22 1.304 12.560 9.644 1.00 0.00 C ATOM 345 CG ASP A 22 -0.065 13.169 9.913 1.00 0.00 C ATOM 346 OD1 ASP A 22 -0.508 13.169 11.082 1.00 0.00 O ATOM 347 OD2 ASP A 22 -0.722 13.615 8.951 1.00 0.00 O ATOM 0 H ASP A 22 3.658 11.850 9.593 1.00 0.00 H new ATOM 0 HA ASP A 22 2.359 14.277 8.920 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.305 12.116 8.649 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.478 11.752 10.354 1.00 0.00 H new ATOM 352 N ASP A 23 3.047 13.822 12.102 1.00 0.00 N ATOM 353 CA ASP A 23 3.158 14.508 13.399 1.00 0.00 C ATOM 354 C ASP A 23 4.099 15.711 13.303 1.00 0.00 C ATOM 355 O ASP A 23 3.818 16.779 13.852 1.00 0.00 O ATOM 356 CB ASP A 23 3.661 13.556 14.502 1.00 0.00 C ATOM 357 CG ASP A 23 2.591 12.602 15.020 1.00 0.00 C ATOM 358 OD1 ASP A 23 1.543 13.083 15.499 1.00 0.00 O ATOM 359 OD2 ASP A 23 2.813 11.368 14.995 1.00 0.00 O ATOM 0 H ASP A 23 3.496 12.906 12.076 1.00 0.00 H new ATOM 0 HA ASP A 23 2.158 14.852 13.663 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.498 12.974 14.115 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.042 14.147 15.334 1.00 0.00 H new ATOM 364 N ILE A 24 5.220 15.538 12.605 1.00 0.00 N ATOM 365 CA ILE A 24 6.168 16.631 12.401 1.00 0.00 C ATOM 366 C ILE A 24 5.480 17.761 11.644 1.00 0.00 C ATOM 367 O ILE A 24 5.714 18.942 11.911 1.00 0.00 O ATOM 368 CB ILE A 24 7.436 16.170 11.626 1.00 0.00 C ATOM 369 CG1 ILE A 24 8.245 15.167 12.465 1.00 0.00 C ATOM 370 CG2 ILE A 24 8.306 17.369 11.231 1.00 0.00 C ATOM 371 CD1 ILE A 24 9.476 14.628 11.763 1.00 0.00 C ATOM 0 H ILE A 24 5.493 14.655 12.173 1.00 0.00 H new ATOM 0 HA ILE A 24 6.495 16.978 13.381 1.00 0.00 H new ATOM 0 HB ILE A 24 7.112 15.674 10.711 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.551 15.649 13.394 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.599 14.332 12.737 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.185 17.018 10.691 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.732 18.041 10.593 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.620 17.902 12.128 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.992 13.928 12.420 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.178 14.116 10.848 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.144 15.453 11.516 1.00 0.00 H new ATOM 383 N GLU A 25 4.611 17.380 10.715 1.00 0.00 N ATOM 384 CA GLU A 25 3.803 18.335 9.974 1.00 0.00 C ATOM 385 C GLU A 25 2.754 18.962 10.881 1.00 0.00 C ATOM 386 O GLU A 25 2.422 20.141 10.740 1.00 0.00 O ATOM 387 CB GLU A 25 3.146 17.651 8.777 1.00 0.00 C ATOM 388 CG GLU A 25 4.137 17.258 7.693 1.00 0.00 C ATOM 389 CD GLU A 25 4.956 18.445 7.209 1.00 0.00 C ATOM 390 OE1 GLU A 25 4.353 19.443 6.761 1.00 0.00 O ATOM 391 OE2 GLU A 25 6.201 18.402 7.305 1.00 0.00 O ATOM 0 H GLU A 25 4.449 16.407 10.457 1.00 0.00 H new ATOM 0 HA GLU A 25 4.450 19.130 9.604 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.620 16.760 9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.397 18.319 8.351 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.807 16.488 8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.599 16.822 6.851 1.00 0.00 H new ATOM 398 N GLU A 26 2.239 18.165 11.815 1.00 0.00 N ATOM 399 CA GLU A 26 1.359 18.678 12.865 1.00 0.00 C ATOM 400 C GLU A 26 2.112 19.718 13.699 1.00 0.00 C ATOM 401 O GLU A 26 1.511 20.610 14.299 1.00 0.00 O ATOM 402 CB GLU A 26 0.853 17.535 13.758 1.00 0.00 C ATOM 403 CG GLU A 26 -0.136 17.976 14.834 1.00 0.00 C ATOM 404 CD GLU A 26 -1.422 18.548 14.256 1.00 0.00 C ATOM 405 OE1 GLU A 26 -1.486 19.771 14.008 1.00 0.00 O ATOM 406 OE2 GLU A 26 -2.380 17.775 14.049 1.00 0.00 O ATOM 0 H GLU A 26 2.415 17.162 11.867 1.00 0.00 H new ATOM 0 HA GLU A 26 0.492 19.149 12.402 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.378 16.781 13.130 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.707 17.058 14.238 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.377 17.124 15.470 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.336 18.725 15.469 1.00 0.00 H new ATOM 413 N GLY A 27 3.439 19.601 13.698 1.00 0.00 N ATOM 414 CA GLY A 27 4.296 20.585 14.339 1.00 0.00 C ATOM 415 C GLY A 27 4.662 20.246 15.773 1.00 0.00 C ATOM 416 O GLY A 27 4.998 21.140 16.552 1.00 0.00 O ATOM 0 H GLY A 27 3.941 18.830 13.258 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.211 20.689 13.756 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.796 21.553 14.322 1.00 0.00 H new ATOM 420 N ASP A 28 4.622 18.961 16.121 1.00 0.00 N ATOM 421 CA ASP A 28 5.109 18.504 17.426 1.00 0.00 C ATOM 422 C ASP A 28 5.430 17.014 17.383 1.00 0.00 C ATOM 423 O ASP A 28 4.915 16.281 16.537 1.00 0.00 O ATOM 424 CB ASP A 28 4.102 18.808 18.554 1.00 0.00 C ATOM 425 CG ASP A 28 2.844 17.949 18.508 1.00 0.00 C ATOM 426 OD1 ASP A 28 2.854 16.834 19.078 1.00 0.00 O ATOM 427 OD2 ASP A 28 1.829 18.401 17.935 1.00 0.00 O ATOM 0 H ASP A 28 4.260 18.219 15.522 1.00 0.00 H new ATOM 0 HA ASP A 28 6.022 19.056 17.647 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.594 18.663 19.516 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.815 19.858 18.498 1.00 0.00 H new ATOM 432 N LEU A 29 6.299 16.577 18.293 1.00 0.00 N ATOM 433 CA LEU A 29 6.733 15.182 18.349 1.00 0.00 C ATOM 434 C LEU A 29 6.030 14.451 19.495 1.00 0.00 C ATOM 435 O LEU A 29 6.151 14.845 20.657 1.00 0.00 O ATOM 436 CB LEU A 29 8.263 15.087 18.523 1.00 0.00 C ATOM 437 CG LEU A 29 9.109 15.408 17.273 1.00 0.00 C ATOM 438 CD1 LEU A 29 8.717 14.505 16.106 1.00 0.00 C ATOM 439 CD2 LEU A 29 8.993 16.880 16.883 1.00 0.00 C ATOM 0 H LEU A 29 6.719 17.173 19.006 1.00 0.00 H new ATOM 0 HA LEU A 29 6.463 14.707 17.406 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.560 15.766 19.322 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.509 14.078 18.854 1.00 0.00 H new ATOM 0 HG LEU A 29 10.152 15.213 17.521 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.327 14.750 15.236 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.880 13.463 16.382 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.665 14.657 15.866 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.601 17.071 15.999 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.952 17.118 16.665 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.343 17.503 17.706 1.00 0.00 H new ATOM 451 N LEU A 62 -5.571 8.240 3.936 1.00 0.00 N ATOM 452 CA LEU A 62 -5.747 6.791 3.781 1.00 0.00 C ATOM 453 C LEU A 62 -4.450 6.095 3.376 1.00 0.00 C ATOM 454 O LEU A 62 -3.650 6.627 2.603 1.00 0.00 O ATOM 455 CB LEU A 62 -6.836 6.475 2.732 1.00 0.00 C ATOM 456 CG LEU A 62 -8.293 6.679 3.191 1.00 0.00 C ATOM 457 CD1 LEU A 62 -9.267 6.418 2.047 1.00 0.00 C ATOM 458 CD2 LEU A 62 -8.615 5.782 4.387 1.00 0.00 C ATOM 0 HA LEU A 62 -6.054 6.411 4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.661 7.099 1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.717 5.439 2.414 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.405 7.718 3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.288 6.569 2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.059 7.106 1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.151 5.392 1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.648 5.942 4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.478 4.738 4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.948 6.026 5.214 1.00 0.00 H new ATOM 470 N MET A 63 -4.257 4.900 3.922 1.00 0.00 N ATOM 471 CA MET A 63 -3.183 3.996 3.517 1.00 0.00 C ATOM 472 C MET A 63 -3.763 2.588 3.455 1.00 0.00 C ATOM 473 O MET A 63 -4.649 2.251 4.244 1.00 0.00 O ATOM 474 CB MET A 63 -2.002 4.056 4.503 1.00 0.00 C ATOM 475 CG MET A 63 -1.453 5.464 4.716 1.00 0.00 C ATOM 476 SD MET A 63 -0.173 5.548 5.982 1.00 0.00 S ATOM 477 CE MET A 63 -1.109 5.141 7.456 1.00 0.00 C ATOM 0 H MET A 63 -4.847 4.526 4.666 1.00 0.00 H new ATOM 0 HA MET A 63 -2.795 4.292 2.542 1.00 0.00 H new ATOM 0 HB2 MET A 63 -2.321 3.650 5.463 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.201 3.415 4.136 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.047 5.834 3.774 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.272 6.128 4.993 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.157 6.013 8.109 1.00 0.00 H new ATOM 0 HE2 MET A 63 -2.119 4.842 7.175 1.00 0.00 H new ATOM 0 HE3 MET A 63 -0.621 4.320 7.982 1.00 0.00 H new ATOM 487 N MET A 64 -3.293 1.775 2.518 1.00 0.00 N ATOM 488 CA MET A 64 -3.918 0.484 2.248 1.00 0.00 C ATOM 489 C MET A 64 -2.901 -0.653 2.264 1.00 0.00 C ATOM 490 O MET A 64 -1.816 -0.539 1.692 1.00 0.00 O ATOM 491 CB MET A 64 -4.622 0.508 0.880 1.00 0.00 C ATOM 492 CG MET A 64 -5.715 1.561 0.758 1.00 0.00 C ATOM 493 SD MET A 64 -6.539 1.516 -0.849 1.00 0.00 S ATOM 494 CE MET A 64 -7.732 2.841 -0.660 1.00 0.00 C ATOM 0 H MET A 64 -2.484 1.984 1.933 1.00 0.00 H new ATOM 0 HA MET A 64 -4.646 0.307 3.040 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.877 0.682 0.104 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.056 -0.474 0.690 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.453 1.408 1.546 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.283 2.549 0.914 1.00 0.00 H new ATOM 0 HE1 MET A 64 -8.608 2.633 -1.275 1.00 0.00 H new ATOM 0 HE2 MET A 64 -8.032 2.914 0.385 1.00 0.00 H new ATOM 0 HE3 MET A 64 -7.283 3.783 -0.975 1.00 0.00 H new ATOM 504 N PHE A 65 -3.266 -1.736 2.942 1.00 0.00 N ATOM 505 CA PHE A 65 -2.557 -3.003 2.830 1.00 0.00 C ATOM 506 C PHE A 65 -3.318 -3.880 1.846 1.00 0.00 C ATOM 507 O PHE A 65 -4.507 -4.155 2.051 1.00 0.00 O ATOM 508 CB PHE A 65 -2.467 -3.715 4.189 1.00 0.00 C ATOM 509 CG PHE A 65 -1.761 -2.920 5.257 1.00 0.00 C ATOM 510 CD1 PHE A 65 -0.453 -2.496 5.075 1.00 0.00 C ATOM 511 CD2 PHE A 65 -2.406 -2.599 6.444 1.00 0.00 C ATOM 512 CE1 PHE A 65 0.197 -1.771 6.054 1.00 0.00 C ATOM 513 CE2 PHE A 65 -1.757 -1.876 7.427 1.00 0.00 C ATOM 514 CZ PHE A 65 -0.455 -1.460 7.231 1.00 0.00 C ATOM 0 H PHE A 65 -4.059 -1.759 3.583 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.540 -2.817 2.485 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.475 -3.948 4.532 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.948 -4.664 4.056 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.063 -2.736 4.157 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.426 -2.918 6.601 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.216 -1.447 5.899 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.268 -1.637 8.348 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.053 -0.892 7.997 1.00 0.00 H new ATOM 524 N VAL A 66 -2.659 -4.308 0.778 1.00 0.00 N ATOM 525 CA VAL A 66 -3.332 -5.058 -0.273 1.00 0.00 C ATOM 526 C VAL A 66 -2.765 -6.470 -0.378 1.00 0.00 C ATOM 527 O VAL A 66 -1.659 -6.666 -0.887 1.00 0.00 O ATOM 528 CB VAL A 66 -3.203 -4.348 -1.645 1.00 0.00 C ATOM 529 CG1 VAL A 66 -4.018 -5.076 -2.712 1.00 0.00 C ATOM 530 CG2 VAL A 66 -3.624 -2.881 -1.540 1.00 0.00 C ATOM 0 H VAL A 66 -1.664 -4.150 0.617 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.387 -5.112 -0.006 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.155 -4.377 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.912 -4.560 -3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.656 -6.099 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.068 -5.089 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.525 -2.403 -2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.662 -2.823 -1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.986 -2.370 -0.819 1.00 0.00 H new ATOM 540 N THR A 67 -3.514 -7.445 0.130 1.00 0.00 N ATOM 541 CA THR A 67 -3.145 -8.847 -0.001 1.00 0.00 C ATOM 542 C THR A 67 -3.362 -9.290 -1.444 1.00 0.00 C ATOM 543 O THR A 67 -4.503 -9.424 -1.897 1.00 0.00 O ATOM 544 CB THR A 67 -3.972 -9.743 0.954 1.00 0.00 C ATOM 545 OG1 THR A 67 -3.779 -9.317 2.311 1.00 0.00 O ATOM 546 CG2 THR A 67 -3.580 -11.212 0.821 1.00 0.00 C ATOM 0 H THR A 67 -4.384 -7.286 0.638 1.00 0.00 H new ATOM 0 HA THR A 67 -2.095 -8.953 0.270 1.00 0.00 H new ATOM 0 HB THR A 67 -5.022 -9.644 0.680 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.306 -9.886 2.911 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.180 -11.812 1.505 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.756 -11.544 -0.202 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.524 -11.330 1.065 1.00 0.00 H new ATOM 554 N VAL A 68 -2.271 -9.491 -2.175 1.00 0.00 N ATOM 555 CA VAL A 68 -2.365 -9.787 -3.602 1.00 0.00 C ATOM 556 C VAL A 68 -2.187 -11.278 -3.869 1.00 0.00 C ATOM 557 O VAL A 68 -3.104 -11.945 -4.353 1.00 0.00 O ATOM 558 CB VAL A 68 -1.303 -8.999 -4.412 1.00 0.00 C ATOM 559 CG1 VAL A 68 -1.479 -9.234 -5.912 1.00 0.00 C ATOM 560 CG2 VAL A 68 -1.363 -7.508 -4.080 1.00 0.00 C ATOM 0 H VAL A 68 -1.320 -9.455 -1.809 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.360 -9.480 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.317 -9.367 -4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.723 -8.671 -6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.369 -10.296 -6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.471 -8.902 -6.218 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.609 -6.975 -4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.351 -7.120 -4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.171 -7.364 -3.017 1.00 0.00 H new ATOM 570 N SER A 69 -1.012 -11.795 -3.539 1.00 0.00 N ATOM 571 CA SER A 69 -0.677 -13.186 -3.817 1.00 0.00 C ATOM 572 C SER A 69 -1.008 -14.097 -2.638 1.00 0.00 C ATOM 573 O SER A 69 -1.596 -15.166 -2.811 1.00 0.00 O ATOM 574 CB SER A 69 0.809 -13.295 -4.170 1.00 0.00 C ATOM 575 OG SER A 69 1.122 -12.477 -5.283 1.00 0.00 O ATOM 0 H SER A 69 -0.271 -11.269 -3.076 1.00 0.00 H new ATOM 0 HA SER A 69 -1.281 -13.516 -4.662 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.414 -12.998 -3.313 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.059 -14.332 -4.393 1.00 0.00 H new ATOM 0 HG SER A 69 1.989 -12.044 -5.137 1.00 0.00 H new ATOM 581 N GLY A 70 -0.629 -13.666 -1.437 1.00 0.00 N ATOM 582 CA GLY A 70 -0.687 -14.546 -0.278 1.00 0.00 C ATOM 583 C GLY A 70 0.377 -15.628 -0.368 1.00 0.00 C ATOM 584 O GLY A 70 0.385 -16.588 0.406 1.00 0.00 O ATOM 0 H GLY A 70 -0.283 -12.726 -1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.545 -13.965 0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.674 -15.004 -0.213 1.00 0.00 H new ATOM 588 N ASN A 71 1.278 -15.446 -1.330 1.00 0.00 N ATOM 589 CA ASN A 71 2.345 -16.395 -1.627 1.00 0.00 C ATOM 590 C ASN A 71 3.688 -15.664 -1.595 1.00 0.00 C ATOM 591 O ASN A 71 3.830 -14.620 -2.230 1.00 0.00 O ATOM 592 CB ASN A 71 2.110 -17.019 -3.015 1.00 0.00 C ATOM 593 CG ASN A 71 3.228 -17.951 -3.458 1.00 0.00 C ATOM 594 OD1 ASN A 71 3.849 -18.635 -2.648 1.00 0.00 O ATOM 595 ND2 ASN A 71 3.495 -17.986 -4.750 1.00 0.00 N ATOM 0 H ASN A 71 1.287 -14.623 -1.933 1.00 0.00 H new ATOM 0 HA ASN A 71 2.352 -17.191 -0.882 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.171 -17.572 -3.002 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.000 -16.221 -3.750 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.235 -18.593 -5.102 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.961 -17.406 -5.397 1.00 0.00 H new ATOM 602 N PRO A 72 4.681 -16.191 -0.852 1.00 0.00 N ATOM 603 CA PRO A 72 6.001 -15.551 -0.682 1.00 0.00 C ATOM 604 C PRO A 72 6.723 -15.235 -2.001 1.00 0.00 C ATOM 605 O PRO A 72 7.656 -14.433 -2.014 1.00 0.00 O ATOM 606 CB PRO A 72 6.803 -16.570 0.151 1.00 0.00 C ATOM 607 CG PRO A 72 6.037 -17.847 0.049 1.00 0.00 C ATOM 608 CD PRO A 72 4.598 -17.450 -0.092 1.00 0.00 C ATOM 0 HA PRO A 72 5.895 -14.576 -0.207 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.815 -16.686 -0.236 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.894 -16.247 1.188 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.367 -18.433 -0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.187 -18.465 0.934 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.020 -18.206 -0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.121 -17.307 0.877 1.00 0.00 H new ATOM 616 N THR A 73 6.310 -15.869 -3.098 1.00 0.00 N ATOM 617 CA THR A 73 6.930 -15.649 -4.402 1.00 0.00 C ATOM 618 C THR A 73 6.847 -14.173 -4.827 1.00 0.00 C ATOM 619 O THR A 73 5.851 -13.736 -5.408 1.00 0.00 O ATOM 620 CB THR A 73 6.260 -16.536 -5.474 1.00 0.00 C ATOM 621 OG1 THR A 73 6.216 -17.899 -5.022 1.00 0.00 O ATOM 622 CG2 THR A 73 7.004 -16.464 -6.800 1.00 0.00 C ATOM 0 H THR A 73 5.544 -16.543 -3.108 1.00 0.00 H new ATOM 0 HA THR A 73 7.982 -15.919 -4.312 1.00 0.00 H new ATOM 0 HB THR A 73 5.247 -16.165 -5.630 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.095 -18.495 -5.791 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.506 -17.100 -7.532 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.010 -15.435 -7.158 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.030 -16.806 -6.661 1.00 0.00 H new ATOM 630 N GLU A 74 7.900 -13.412 -4.506 1.00 0.00 N ATOM 631 CA GLU A 74 7.989 -11.979 -4.837 1.00 0.00 C ATOM 632 C GLU A 74 7.692 -11.705 -6.311 1.00 0.00 C ATOM 633 O GLU A 74 7.288 -10.601 -6.674 1.00 0.00 O ATOM 634 CB GLU A 74 9.385 -11.419 -4.498 1.00 0.00 C ATOM 635 CG GLU A 74 9.899 -11.778 -3.102 1.00 0.00 C ATOM 636 CD GLU A 74 10.836 -12.981 -3.104 1.00 0.00 C ATOM 637 OE1 GLU A 74 10.357 -14.120 -3.284 1.00 0.00 O ATOM 638 OE2 GLU A 74 12.059 -12.792 -2.928 1.00 0.00 O ATOM 0 H GLU A 74 8.716 -13.769 -4.009 1.00 0.00 H new ATOM 0 HA GLU A 74 7.232 -11.479 -4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.097 -11.785 -5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.358 -10.333 -4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.421 -10.919 -2.681 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.050 -11.986 -2.451 1.00 0.00 H new ATOM 645 N LYS A 75 7.884 -12.719 -7.144 1.00 0.00 N ATOM 646 CA LYS A 75 7.752 -12.580 -8.591 1.00 0.00 C ATOM 647 C LYS A 75 6.342 -12.122 -8.965 1.00 0.00 C ATOM 648 O LYS A 75 6.166 -11.250 -9.826 1.00 0.00 O ATOM 649 CB LYS A 75 8.098 -13.909 -9.291 1.00 0.00 C ATOM 650 CG LYS A 75 9.566 -14.337 -9.148 1.00 0.00 C ATOM 651 CD LYS A 75 9.944 -14.682 -7.703 1.00 0.00 C ATOM 652 CE LYS A 75 11.425 -15.016 -7.560 1.00 0.00 C ATOM 653 NZ LYS A 75 11.802 -16.243 -8.311 1.00 0.00 N ATOM 0 H LYS A 75 8.135 -13.659 -6.838 1.00 0.00 H new ATOM 0 HA LYS A 75 8.455 -11.819 -8.930 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.462 -14.696 -8.886 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.859 -13.820 -10.351 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.751 -15.202 -9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.211 -13.534 -9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.698 -13.841 -7.054 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.348 -15.530 -7.366 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.021 -14.176 -7.918 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.665 -15.150 -6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.796 -16.478 -8.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.195 -17.033 -8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.679 -16.078 -9.330 1.00 0.00 H new ATOM 667 N GLU A 76 5.342 -12.687 -8.290 1.00 0.00 N ATOM 668 CA GLU A 76 3.951 -12.329 -8.543 1.00 0.00 C ATOM 669 C GLU A 76 3.714 -10.850 -8.253 1.00 0.00 C ATOM 670 O GLU A 76 3.210 -10.109 -9.108 1.00 0.00 O ATOM 671 CB GLU A 76 3.002 -13.175 -7.686 1.00 0.00 C ATOM 672 CG GLU A 76 3.001 -14.662 -8.023 1.00 0.00 C ATOM 673 CD GLU A 76 1.907 -15.421 -7.288 1.00 0.00 C ATOM 674 OE1 GLU A 76 0.795 -14.866 -7.128 1.00 0.00 O ATOM 675 OE2 GLU A 76 2.140 -16.579 -6.885 1.00 0.00 O ATOM 0 H GLU A 76 5.471 -13.393 -7.565 1.00 0.00 H new ATOM 0 HA GLU A 76 3.746 -12.525 -9.595 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.274 -13.053 -6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.989 -12.789 -7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.868 -14.788 -9.098 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.971 -15.090 -7.769 1.00 0.00 H new ATOM 682 N THR A 77 4.087 -10.428 -7.046 1.00 0.00 N ATOM 683 CA THR A 77 3.902 -9.051 -6.616 1.00 0.00 C ATOM 684 C THR A 77 4.716 -8.097 -7.498 1.00 0.00 C ATOM 685 O THR A 77 4.298 -6.970 -7.753 1.00 0.00 O ATOM 686 CB THR A 77 4.292 -8.877 -5.128 1.00 0.00 C ATOM 687 OG1 THR A 77 3.666 -9.903 -4.343 1.00 0.00 O ATOM 688 CG2 THR A 77 3.865 -7.513 -4.599 1.00 0.00 C ATOM 0 H THR A 77 4.522 -11.029 -6.346 1.00 0.00 H new ATOM 0 HA THR A 77 2.845 -8.805 -6.721 1.00 0.00 H new ATOM 0 HB THR A 77 5.377 -8.953 -5.053 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.200 -9.495 -3.583 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.153 -7.422 -3.552 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.352 -6.729 -5.179 1.00 0.00 H new ATOM 0 HG23 THR A 77 2.783 -7.411 -4.688 1.00 0.00 H new ATOM 696 N GLU A 78 5.870 -8.565 -7.969 1.00 0.00 N ATOM 697 CA GLU A 78 6.690 -7.808 -8.917 1.00 0.00 C ATOM 698 C GLU A 78 5.876 -7.461 -10.164 1.00 0.00 C ATOM 699 O GLU A 78 5.666 -6.286 -10.472 1.00 0.00 O ATOM 700 CB GLU A 78 7.943 -8.620 -9.293 1.00 0.00 C ATOM 701 CG GLU A 78 8.712 -8.099 -10.512 1.00 0.00 C ATOM 702 CD GLU A 78 9.254 -6.686 -10.343 1.00 0.00 C ATOM 703 OE1 GLU A 78 10.080 -6.464 -9.435 1.00 0.00 O ATOM 704 OE2 GLU A 78 8.890 -5.798 -11.150 1.00 0.00 O ATOM 0 H GLU A 78 6.262 -9.470 -7.709 1.00 0.00 H new ATOM 0 HA GLU A 78 7.007 -6.877 -8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.617 -8.636 -8.437 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.645 -9.651 -9.484 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.542 -8.773 -10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.055 -8.124 -11.381 1.00 0.00 H new ATOM 711 N GLU A 79 5.394 -8.493 -10.855 1.00 0.00 N ATOM 712 CA GLU A 79 4.627 -8.307 -12.088 1.00 0.00 C ATOM 713 C GLU A 79 3.421 -7.392 -11.848 1.00 0.00 C ATOM 714 O GLU A 79 3.259 -6.347 -12.497 1.00 0.00 O ATOM 715 CB GLU A 79 4.136 -9.662 -12.622 1.00 0.00 C ATOM 716 CG GLU A 79 5.236 -10.704 -12.802 1.00 0.00 C ATOM 717 CD GLU A 79 4.698 -12.050 -13.272 1.00 0.00 C ATOM 718 OE1 GLU A 79 3.888 -12.664 -12.541 1.00 0.00 O ATOM 719 OE2 GLU A 79 5.086 -12.507 -14.371 1.00 0.00 O ATOM 0 H GLU A 79 5.521 -9.468 -10.582 1.00 0.00 H new ATOM 0 HA GLU A 79 5.284 -7.842 -12.823 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.385 -10.058 -11.938 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.642 -9.504 -13.581 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.965 -10.336 -13.524 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.763 -10.837 -11.857 1.00 0.00 H new ATOM 726 N ILE A 80 2.593 -7.781 -10.885 1.00 0.00 N ATOM 727 CA ILE A 80 1.322 -7.115 -10.661 1.00 0.00 C ATOM 728 C ILE A 80 1.532 -5.663 -10.205 1.00 0.00 C ATOM 729 O ILE A 80 0.952 -4.742 -10.778 1.00 0.00 O ATOM 730 CB ILE A 80 0.440 -7.906 -9.651 1.00 0.00 C ATOM 731 CG1 ILE A 80 -1.019 -7.435 -9.724 1.00 0.00 C ATOM 732 CG2 ILE A 80 0.975 -7.789 -8.225 1.00 0.00 C ATOM 733 CD1 ILE A 80 -1.669 -7.663 -11.076 1.00 0.00 C ATOM 0 H ILE A 80 2.782 -8.555 -10.248 1.00 0.00 H new ATOM 0 HA ILE A 80 0.788 -7.089 -11.611 1.00 0.00 H new ATOM 0 HB ILE A 80 0.480 -8.959 -9.931 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.598 -7.955 -8.961 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.060 -6.372 -9.486 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.334 -8.354 -7.548 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.988 -8.188 -8.183 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.985 -6.741 -7.925 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.698 -7.305 -11.050 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.115 -7.120 -11.842 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.661 -8.728 -11.309 1.00 0.00 H new ATOM 745 N THR A 81 2.396 -5.451 -9.211 1.00 0.00 N ATOM 746 CA THR A 81 2.677 -4.105 -8.726 1.00 0.00 C ATOM 747 C THR A 81 3.325 -3.260 -9.824 1.00 0.00 C ATOM 748 O THR A 81 3.146 -2.043 -9.866 1.00 0.00 O ATOM 749 CB THR A 81 3.576 -4.125 -7.467 1.00 0.00 C ATOM 750 OG1 THR A 81 2.943 -4.896 -6.436 1.00 0.00 O ATOM 751 CG2 THR A 81 3.851 -2.714 -6.945 1.00 0.00 C ATOM 0 H THR A 81 2.909 -6.191 -8.731 1.00 0.00 H new ATOM 0 HA THR A 81 1.724 -3.655 -8.448 1.00 0.00 H new ATOM 0 HB THR A 81 4.529 -4.575 -7.745 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.066 -5.851 -6.619 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.485 -2.771 -6.060 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.355 -2.132 -7.717 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.908 -2.232 -6.685 1.00 0.00 H new ATOM 759 N SER A 82 4.067 -3.909 -10.721 1.00 0.00 N ATOM 760 CA SER A 82 4.638 -3.226 -11.876 1.00 0.00 C ATOM 761 C SER A 82 3.510 -2.618 -12.710 1.00 0.00 C ATOM 762 O SER A 82 3.568 -1.443 -13.093 1.00 0.00 O ATOM 763 CB SER A 82 5.478 -4.200 -12.715 1.00 0.00 C ATOM 764 OG SER A 82 6.163 -3.538 -13.771 1.00 0.00 O ATOM 0 H SER A 82 4.285 -4.904 -10.668 1.00 0.00 H new ATOM 0 HA SER A 82 5.298 -2.427 -11.536 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.201 -4.702 -12.072 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.831 -4.972 -13.131 1.00 0.00 H new ATOM 0 HG SER A 82 6.687 -4.191 -14.280 1.00 0.00 H new ATOM 770 N LEU A 83 2.468 -3.419 -12.959 1.00 0.00 N ATOM 771 CA LEU A 83 1.281 -2.934 -13.671 1.00 0.00 C ATOM 772 C LEU A 83 0.664 -1.751 -12.920 1.00 0.00 C ATOM 773 O LEU A 83 0.379 -0.699 -13.504 1.00 0.00 O ATOM 774 CB LEU A 83 0.231 -4.051 -13.824 1.00 0.00 C ATOM 775 CG LEU A 83 0.751 -5.363 -14.442 1.00 0.00 C ATOM 776 CD1 LEU A 83 -0.368 -6.398 -14.538 1.00 0.00 C ATOM 777 CD2 LEU A 83 1.371 -5.107 -15.815 1.00 0.00 C ATOM 0 H LEU A 83 2.422 -4.399 -12.680 1.00 0.00 H new ATOM 0 HA LEU A 83 1.593 -2.613 -14.665 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.186 -4.272 -12.842 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.586 -3.677 -14.441 1.00 0.00 H new ATOM 0 HG LEU A 83 1.527 -5.762 -13.788 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.022 -7.316 -14.977 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.755 -6.609 -13.541 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.171 -6.009 -15.164 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.731 -6.047 -16.232 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.620 -4.679 -16.479 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.204 -4.412 -15.714 1.00 0.00 H new ATOM 789 N TRP A 84 0.488 -1.933 -11.613 1.00 0.00 N ATOM 790 CA TRP A 84 -0.153 -0.933 -10.758 1.00 0.00 C ATOM 791 C TRP A 84 0.606 0.388 -10.795 1.00 0.00 C ATOM 792 O TRP A 84 0.001 1.457 -10.820 1.00 0.00 O ATOM 793 CB TRP A 84 -0.257 -1.450 -9.316 1.00 0.00 C ATOM 794 CG TRP A 84 -1.078 -2.701 -9.192 1.00 0.00 C ATOM 795 CD1 TRP A 84 -1.542 -3.481 -10.214 1.00 0.00 C ATOM 796 CD2 TRP A 84 -1.542 -3.313 -7.984 1.00 0.00 C ATOM 797 NE1 TRP A 84 -2.249 -4.539 -9.716 1.00 0.00 N ATOM 798 CE2 TRP A 84 -2.266 -4.455 -8.352 1.00 0.00 C ATOM 799 CE3 TRP A 84 -1.417 -3.008 -6.628 1.00 0.00 C ATOM 800 CZ2 TRP A 84 -2.862 -5.294 -7.422 1.00 0.00 C ATOM 801 CZ3 TRP A 84 -2.016 -3.843 -5.703 1.00 0.00 C ATOM 802 CH2 TRP A 84 -2.731 -4.976 -6.111 1.00 0.00 C ATOM 0 H TRP A 84 0.784 -2.774 -11.117 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.158 -0.756 -11.141 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.745 -1.642 -8.933 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.694 -0.673 -8.689 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -1.374 -3.289 -11.263 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -2.691 -5.271 -10.271 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -0.864 -2.138 -6.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.412 -6.171 -7.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.931 -3.618 -4.650 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.188 -5.610 -5.365 1.00 0.00 H new ATOM 813 N GLN A 85 1.931 0.311 -10.810 1.00 0.00 N ATOM 814 CA GLN A 85 2.761 1.505 -10.901 1.00 0.00 C ATOM 815 C GLN A 85 2.529 2.191 -12.245 1.00 0.00 C ATOM 816 O GLN A 85 2.138 3.360 -12.296 1.00 0.00 O ATOM 817 CB GLN A 85 4.243 1.146 -10.726 1.00 0.00 C ATOM 818 CG GLN A 85 4.576 0.575 -9.350 1.00 0.00 C ATOM 819 CD GLN A 85 6.013 0.097 -9.239 1.00 0.00 C ATOM 820 OE1 GLN A 85 6.904 0.855 -8.855 1.00 0.00 O ATOM 821 NE2 GLN A 85 6.246 -1.163 -9.573 1.00 0.00 N ATOM 0 H GLN A 85 2.453 -0.564 -10.760 1.00 0.00 H new ATOM 0 HA GLN A 85 2.484 2.192 -10.101 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.525 0.420 -11.489 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.847 2.038 -10.896 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.393 1.337 -8.592 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.905 -0.256 -9.135 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.479 -1.758 -9.886 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.193 -1.539 -9.517 1.00 0.00 H new ATOM 830 N GLY A 86 2.773 1.446 -13.325 1.00 0.00 N ATOM 831 CA GLY A 86 2.531 1.949 -14.672 1.00 0.00 C ATOM 832 C GLY A 86 1.122 2.484 -14.887 1.00 0.00 C ATOM 833 O GLY A 86 0.896 3.264 -15.807 1.00 0.00 O ATOM 0 H GLY A 86 3.137 0.494 -13.290 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.247 2.742 -14.887 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.718 1.148 -15.387 1.00 0.00 H new ATOM 837 N SER A 87 0.170 2.051 -14.066 1.00 0.00 N ATOM 838 CA SER A 87 -1.205 2.539 -14.168 1.00 0.00 C ATOM 839 C SER A 87 -1.412 3.807 -13.323 1.00 0.00 C ATOM 840 O SER A 87 -1.713 4.881 -13.853 1.00 0.00 O ATOM 841 CB SER A 87 -2.185 1.442 -13.731 1.00 0.00 C ATOM 842 OG SER A 87 -1.994 0.258 -14.491 1.00 0.00 O ATOM 0 H SER A 87 0.322 1.366 -13.325 1.00 0.00 H new ATOM 0 HA SER A 87 -1.397 2.797 -15.209 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.045 1.225 -12.672 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.209 1.795 -13.852 1.00 0.00 H new ATOM 0 HG SER A 87 -1.230 -0.240 -14.134 1.00 0.00 H new ATOM 848 N LEU A 88 -1.222 3.678 -12.013 1.00 0.00 N ATOM 849 CA LEU A 88 -1.523 4.754 -11.066 1.00 0.00 C ATOM 850 C LEU A 88 -0.627 5.975 -11.289 1.00 0.00 C ATOM 851 O LEU A 88 -1.107 7.106 -11.361 1.00 0.00 O ATOM 852 CB LEU A 88 -1.358 4.242 -9.629 1.00 0.00 C ATOM 853 CG LEU A 88 -2.203 3.006 -9.271 1.00 0.00 C ATOM 854 CD1 LEU A 88 -1.851 2.500 -7.877 1.00 0.00 C ATOM 855 CD2 LEU A 88 -3.697 3.315 -9.377 1.00 0.00 C ATOM 0 H LEU A 88 -0.857 2.831 -11.577 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.555 5.065 -11.232 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.307 4.004 -9.464 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.614 5.048 -8.942 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.972 2.218 -9.988 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.459 1.626 -7.643 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.796 2.227 -7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.046 3.284 -7.145 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.272 2.425 -9.119 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.951 4.123 -8.691 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.935 3.617 -10.397 1.00 0.00 H new ATOM 867 N PHE A 89 0.674 5.732 -11.420 1.00 0.00 N ATOM 868 CA PHE A 89 1.652 6.813 -11.557 1.00 0.00 C ATOM 869 C PHE A 89 1.669 7.368 -12.980 1.00 0.00 C ATOM 870 O PHE A 89 2.434 8.281 -13.289 1.00 0.00 O ATOM 871 CB PHE A 89 3.049 6.325 -11.149 1.00 0.00 C ATOM 872 CG PHE A 89 3.172 6.043 -9.671 1.00 0.00 C ATOM 873 CD1 PHE A 89 2.701 4.854 -9.132 1.00 0.00 C ATOM 874 CD2 PHE A 89 3.753 6.975 -8.819 1.00 0.00 C ATOM 875 CE1 PHE A 89 2.803 4.603 -7.778 1.00 0.00 C ATOM 876 CE2 PHE A 89 3.860 6.725 -7.465 1.00 0.00 C ATOM 877 CZ PHE A 89 3.383 5.538 -6.944 1.00 0.00 C ATOM 0 H PHE A 89 1.078 4.796 -11.434 1.00 0.00 H new ATOM 0 HA PHE A 89 1.356 7.622 -10.889 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.287 5.419 -11.706 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.786 7.076 -11.432 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.249 4.117 -9.779 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.125 7.906 -9.221 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.429 3.675 -7.371 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.316 7.457 -6.814 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.464 5.341 -5.885 1.00 0.00 H new ATOM 887 N ASN A 90 0.811 6.821 -13.831 1.00 0.00 N ATOM 888 CA ASN A 90 0.683 7.283 -15.212 1.00 0.00 C ATOM 889 C ASN A 90 -0.355 8.396 -15.278 1.00 0.00 C ATOM 890 O ASN A 90 -0.196 9.372 -16.011 1.00 0.00 O ATOM 891 CB ASN A 90 0.281 6.119 -16.128 1.00 0.00 C ATOM 892 CG ASN A 90 0.176 6.513 -17.594 1.00 0.00 C ATOM 893 OD1 ASN A 90 0.854 7.432 -18.055 1.00 0.00 O ATOM 894 ND2 ASN A 90 -0.656 5.802 -18.342 1.00 0.00 N ATOM 0 H ASN A 90 0.188 6.051 -13.589 1.00 0.00 H new ATOM 0 HA ASN A 90 1.643 7.669 -15.554 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.012 5.317 -16.026 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.678 5.720 -15.797 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -0.751 6.009 -19.336 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.201 5.048 -17.923 1.00 0.00 H new ATOM 901 N ALA A 91 -1.413 8.244 -14.481 1.00 0.00 N ATOM 902 CA ALA A 91 -2.462 9.257 -14.371 1.00 0.00 C ATOM 903 C ALA A 91 -2.091 10.305 -13.322 1.00 0.00 C ATOM 904 O ALA A 91 -2.864 11.228 -13.050 1.00 0.00 O ATOM 905 CB ALA A 91 -3.794 8.599 -14.026 1.00 0.00 C ATOM 0 H ALA A 91 -1.566 7.421 -13.898 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.562 9.761 -15.333 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.567 9.363 -13.947 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.063 7.890 -14.809 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.705 8.073 -13.075 1.00 0.00 H new ATOM 911 N ASN A 92 -0.897 10.144 -12.750 1.00 0.00 N ATOM 912 CA ASN A 92 -0.372 11.039 -11.719 1.00 0.00 C ATOM 913 C ASN A 92 -1.270 11.047 -10.482 1.00 0.00 C ATOM 914 O ASN A 92 -2.214 11.836 -10.389 1.00 0.00 O ATOM 915 CB ASN A 92 -0.195 12.472 -12.250 1.00 0.00 C ATOM 916 CG ASN A 92 0.397 13.409 -11.204 1.00 0.00 C ATOM 917 OD1 ASN A 92 1.614 13.593 -11.130 1.00 0.00 O ATOM 918 ND2 ASN A 92 -0.458 13.997 -10.378 1.00 0.00 N ATOM 0 H ASN A 92 -0.262 9.383 -12.991 1.00 0.00 H new ATOM 0 HA ASN A 92 0.608 10.656 -11.435 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.453 12.455 -13.127 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.161 12.858 -12.575 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.115 14.625 -9.651 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.459 13.821 -10.469 1.00 0.00 H new ATOM 925 N TYR A 93 -0.990 10.139 -9.557 1.00 0.00 N ATOM 926 CA TYR A 93 -1.681 10.109 -8.268 1.00 0.00 C ATOM 927 C TYR A 93 -0.704 10.408 -7.128 1.00 0.00 C ATOM 928 O TYR A 93 0.443 9.956 -7.153 1.00 0.00 O ATOM 929 CB TYR A 93 -2.351 8.743 -8.045 1.00 0.00 C ATOM 930 CG TYR A 93 -3.548 8.474 -8.946 1.00 0.00 C ATOM 931 CD1 TYR A 93 -4.283 9.520 -9.502 1.00 0.00 C ATOM 932 CD2 TYR A 93 -3.947 7.172 -9.235 1.00 0.00 C ATOM 933 CE1 TYR A 93 -5.374 9.276 -10.314 1.00 0.00 C ATOM 934 CE2 TYR A 93 -5.038 6.922 -10.046 1.00 0.00 C ATOM 935 CZ TYR A 93 -5.748 7.977 -10.581 1.00 0.00 C ATOM 936 OH TYR A 93 -6.836 7.732 -11.391 1.00 0.00 O ATOM 0 H TYR A 93 -0.287 9.409 -9.673 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.453 10.878 -8.278 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.610 7.959 -8.202 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.672 8.675 -7.005 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.994 10.540 -9.294 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.394 6.343 -8.818 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.931 10.099 -10.737 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.333 5.905 -10.260 1.00 0.00 H new ATOM 0 HH TYR A 93 -7.647 7.681 -10.843 1.00 0.00 H new ATOM 946 N ASP A 94 -1.165 11.180 -6.141 1.00 0.00 N ATOM 947 CA ASP A 94 -0.365 11.500 -4.951 1.00 0.00 C ATOM 948 C ASP A 94 -0.271 10.284 -4.029 1.00 0.00 C ATOM 949 O ASP A 94 -0.812 10.283 -2.915 1.00 0.00 O ATOM 950 CB ASP A 94 -0.967 12.694 -4.179 1.00 0.00 C ATOM 951 CG ASP A 94 -0.719 14.039 -4.847 1.00 0.00 C ATOM 952 OD1 ASP A 94 -1.380 14.338 -5.866 1.00 0.00 O ATOM 953 OD2 ASP A 94 0.125 14.815 -4.346 1.00 0.00 O ATOM 0 H ASP A 94 -2.095 11.599 -6.141 1.00 0.00 H new ATOM 0 HA ASP A 94 0.635 11.775 -5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -2.041 12.543 -4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.547 12.714 -3.173 1.00 0.00 H new ATOM 958 N VAL A 95 0.408 9.245 -4.502 1.00 0.00 N ATOM 959 CA VAL A 95 0.545 7.998 -3.757 1.00 0.00 C ATOM 960 C VAL A 95 1.985 7.502 -3.791 1.00 0.00 C ATOM 961 O VAL A 95 2.793 7.949 -4.608 1.00 0.00 O ATOM 962 CB VAL A 95 -0.379 6.883 -4.320 1.00 0.00 C ATOM 963 CG1 VAL A 95 -1.848 7.262 -4.165 1.00 0.00 C ATOM 964 CG2 VAL A 95 -0.047 6.586 -5.783 1.00 0.00 C ATOM 0 H VAL A 95 0.877 9.242 -5.408 1.00 0.00 H new ATOM 0 HA VAL A 95 0.251 8.214 -2.730 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.201 5.976 -3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.474 6.465 -4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.077 7.406 -3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.045 8.186 -4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.707 5.802 -6.154 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.185 7.489 -6.378 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.989 6.255 -5.861 1.00 0.00 H new ATOM 974 N GLN A 96 2.296 6.585 -2.885 1.00 0.00 N ATOM 975 CA GLN A 96 3.586 5.907 -2.864 1.00 0.00 C ATOM 976 C GLN A 96 3.358 4.438 -2.525 1.00 0.00 C ATOM 977 O GLN A 96 2.418 4.108 -1.800 1.00 0.00 O ATOM 978 CB GLN A 96 4.532 6.577 -1.852 1.00 0.00 C ATOM 979 CG GLN A 96 5.880 5.876 -1.662 1.00 0.00 C ATOM 980 CD GLN A 96 6.789 5.928 -2.887 1.00 0.00 C ATOM 981 OE1 GLN A 96 6.328 5.930 -4.032 1.00 0.00 O ATOM 982 NE2 GLN A 96 8.095 5.970 -2.649 1.00 0.00 N ATOM 0 H GLN A 96 1.661 6.290 -2.143 1.00 0.00 H new ATOM 0 HA GLN A 96 4.061 5.978 -3.843 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.715 7.602 -2.173 1.00 0.00 H new ATOM 0 HB3 GLN A 96 4.028 6.630 -0.887 1.00 0.00 H new ATOM 0 HG2 GLN A 96 6.399 6.332 -0.819 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.701 4.833 -1.400 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.439 5.967 -1.689 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.754 6.005 -3.427 1.00 0.00 H new ATOM 991 N ARG A 97 4.207 3.562 -3.048 1.00 0.00 N ATOM 992 CA ARG A 97 4.006 2.121 -2.907 1.00 0.00 C ATOM 993 C ARG A 97 5.303 1.437 -2.498 1.00 0.00 C ATOM 994 O ARG A 97 6.373 1.767 -3.011 1.00 0.00 O ATOM 995 CB ARG A 97 3.483 1.513 -4.227 1.00 0.00 C ATOM 996 CG ARG A 97 4.530 1.381 -5.343 1.00 0.00 C ATOM 997 CD ARG A 97 5.115 2.725 -5.771 1.00 0.00 C ATOM 998 NE ARG A 97 6.127 2.576 -6.820 1.00 0.00 N ATOM 999 CZ ARG A 97 6.865 3.577 -7.310 1.00 0.00 C ATOM 1000 NH1 ARG A 97 6.735 4.810 -6.830 1.00 0.00 N ATOM 1001 NH2 ARG A 97 7.741 3.337 -8.278 1.00 0.00 N ATOM 0 H ARG A 97 5.042 3.822 -3.574 1.00 0.00 H new ATOM 0 HA ARG A 97 3.262 1.958 -2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.072 0.525 -4.017 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.661 2.129 -4.592 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.336 0.731 -5.003 1.00 0.00 H new ATOM 0 HG3 ARG A 97 4.074 0.897 -6.207 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.314 3.371 -6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.559 3.218 -4.907 1.00 0.00 H new ATOM 0 HE ARG A 97 6.279 1.643 -7.203 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.068 4.998 -6.082 1.00 0.00 H new ATOM 0 HH12 ARG A 97 7.302 5.568 -7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.849 2.392 -8.645 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.306 4.098 -8.655 1.00 0.00 H new ATOM 1015 N PHE A 98 5.204 0.498 -1.565 1.00 0.00 N ATOM 1016 CA PHE A 98 6.347 -0.318 -1.170 1.00 0.00 C ATOM 1017 C PHE A 98 5.998 -1.796 -1.319 1.00 0.00 C ATOM 1018 O PHE A 98 4.895 -2.233 -0.952 1.00 0.00 O ATOM 1019 CB PHE A 98 6.792 -0.012 0.272 1.00 0.00 C ATOM 1020 CG PHE A 98 7.157 1.436 0.516 1.00 0.00 C ATOM 1021 CD1 PHE A 98 7.923 2.144 -0.404 1.00 0.00 C ATOM 1022 CD2 PHE A 98 6.727 2.091 1.661 1.00 0.00 C ATOM 1023 CE1 PHE A 98 8.247 3.469 -0.184 1.00 0.00 C ATOM 1024 CE2 PHE A 98 7.051 3.417 1.883 1.00 0.00 C ATOM 1025 CZ PHE A 98 7.810 4.106 0.961 1.00 0.00 C ATOM 0 H PHE A 98 4.341 0.282 -1.066 1.00 0.00 H new ATOM 0 HA PHE A 98 7.183 -0.075 -1.826 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.990 -0.293 0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.651 -0.637 0.515 1.00 0.00 H new ATOM 0 HD1 PHE A 98 8.269 1.652 -1.301 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.132 1.559 2.388 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.842 4.007 -0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.709 3.913 2.779 1.00 0.00 H new ATOM 0 HZ PHE A 98 8.062 5.142 1.134 1.00 0.00 H new ATOM 1035 N ILE A 99 6.937 -2.555 -1.876 1.00 0.00 N ATOM 1036 CA ILE A 99 6.751 -3.979 -2.115 1.00 0.00 C ATOM 1037 C ILE A 99 7.621 -4.801 -1.158 1.00 0.00 C ATOM 1038 O ILE A 99 8.778 -5.110 -1.443 1.00 0.00 O ATOM 1039 CB ILE A 99 7.061 -4.347 -3.596 1.00 0.00 C ATOM 1040 CG1 ILE A 99 7.014 -5.874 -3.809 1.00 0.00 C ATOM 1041 CG2 ILE A 99 8.412 -3.771 -4.034 1.00 0.00 C ATOM 1042 CD1 ILE A 99 7.265 -6.303 -5.242 1.00 0.00 C ATOM 0 H ILE A 99 7.846 -2.199 -2.173 1.00 0.00 H new ATOM 0 HA ILE A 99 5.705 -4.219 -1.925 1.00 0.00 H new ATOM 0 HB ILE A 99 6.288 -3.899 -4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.757 -6.344 -3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.038 -6.245 -3.495 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.604 -4.043 -5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.392 -2.685 -3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.202 -4.175 -3.401 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.216 -7.390 -5.310 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.508 -5.864 -5.891 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.252 -5.964 -5.556 1.00 0.00 H new ATOM 1054 N VAL A 100 7.056 -5.125 -0.004 1.00 0.00 N ATOM 1055 CA VAL A 100 7.734 -5.939 0.995 1.00 0.00 C ATOM 1056 C VAL A 100 6.793 -7.040 1.469 1.00 0.00 C ATOM 1057 O VAL A 100 5.668 -6.763 1.881 1.00 0.00 O ATOM 1058 CB VAL A 100 8.224 -5.085 2.197 1.00 0.00 C ATOM 1059 CG1 VAL A 100 7.076 -4.295 2.824 1.00 0.00 C ATOM 1060 CG2 VAL A 100 8.918 -5.959 3.243 1.00 0.00 C ATOM 0 H VAL A 100 6.117 -4.832 0.266 1.00 0.00 H new ATOM 0 HA VAL A 100 8.617 -6.383 0.536 1.00 0.00 H new ATOM 0 HB VAL A 100 8.951 -4.368 1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.453 -3.708 3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 100 6.644 -3.627 2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.311 -4.985 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.251 -5.337 4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.220 -6.711 3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.778 -6.453 2.792 1.00 0.00 H new ATOM 1070 N GLY A 101 7.247 -8.286 1.378 1.00 0.00 N ATOM 1071 CA GLY A 101 6.388 -9.410 1.694 1.00 0.00 C ATOM 1072 C GLY A 101 5.318 -9.595 0.635 1.00 0.00 C ATOM 1073 O GLY A 101 4.317 -8.883 0.623 1.00 0.00 O ATOM 0 H GLY A 101 8.193 -8.536 1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.986 -10.318 1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.919 -9.251 2.665 1.00 0.00 H new ATOM 1077 N SER A 102 5.538 -10.556 -0.252 1.00 0.00 N ATOM 1078 CA SER A 102 4.686 -10.772 -1.419 1.00 0.00 C ATOM 1079 C SER A 102 3.214 -10.998 -1.046 1.00 0.00 C ATOM 1080 O SER A 102 2.329 -10.936 -1.907 1.00 0.00 O ATOM 1081 CB SER A 102 5.234 -11.961 -2.195 1.00 0.00 C ATOM 1082 OG SER A 102 6.647 -11.888 -2.252 1.00 0.00 O ATOM 0 H SER A 102 6.316 -11.212 -0.184 1.00 0.00 H new ATOM 0 HA SER A 102 4.704 -9.871 -2.033 1.00 0.00 H new ATOM 0 HB2 SER A 102 4.928 -12.891 -1.716 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.820 -11.970 -3.203 1.00 0.00 H new ATOM 0 HG SER A 102 7.025 -12.788 -2.167 1.00 0.00 H new ATOM 1088 N ASP A 103 2.960 -11.273 0.231 1.00 0.00 N ATOM 1089 CA ASP A 103 1.596 -11.395 0.739 1.00 0.00 C ATOM 1090 C ASP A 103 0.823 -10.106 0.469 1.00 0.00 C ATOM 1091 O ASP A 103 -0.261 -10.129 -0.130 1.00 0.00 O ATOM 1092 CB ASP A 103 1.613 -11.706 2.247 1.00 0.00 C ATOM 1093 CG ASP A 103 0.219 -11.794 2.870 1.00 0.00 C ATOM 1094 OD1 ASP A 103 -0.663 -12.449 2.281 1.00 0.00 O ATOM 1095 OD2 ASP A 103 0.000 -11.206 3.958 1.00 0.00 O ATOM 0 H ASP A 103 3.684 -11.416 0.935 1.00 0.00 H new ATOM 0 HA ASP A 103 1.099 -12.217 0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.134 -12.649 2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.184 -10.934 2.762 1.00 0.00 H new ATOM 1100 N ARG A 104 1.411 -8.978 0.868 1.00 0.00 N ATOM 1101 CA ARG A 104 0.737 -7.685 0.784 1.00 0.00 C ATOM 1102 C ARG A 104 1.652 -6.611 0.204 1.00 0.00 C ATOM 1103 O ARG A 104 2.801 -6.468 0.618 1.00 0.00 O ATOM 1104 CB ARG A 104 0.271 -7.247 2.179 1.00 0.00 C ATOM 1105 CG ARG A 104 -0.600 -8.281 2.872 1.00 0.00 C ATOM 1106 CD ARG A 104 -0.936 -7.895 4.303 1.00 0.00 C ATOM 1107 NE ARG A 104 -1.629 -8.985 4.994 1.00 0.00 N ATOM 1108 CZ ARG A 104 -2.692 -8.828 5.780 1.00 0.00 C ATOM 1109 NH1 ARG A 104 -3.181 -7.615 6.009 1.00 0.00 N ATOM 1110 NH2 ARG A 104 -3.263 -9.889 6.337 1.00 0.00 N ATOM 0 H ARG A 104 2.355 -8.935 1.253 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.120 -7.803 0.121 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.144 -7.043 2.799 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.284 -6.313 2.093 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -1.524 -8.410 2.308 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -0.088 -9.243 2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.021 -7.644 4.840 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -1.562 -7.003 4.305 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.272 -9.931 4.864 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -2.742 -6.799 5.582 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -3.996 -7.499 6.612 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -2.887 -10.821 6.162 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -4.078 -9.772 6.940 1.00 0.00 H new ATOM 1124 N ALA A 105 1.126 -5.862 -0.756 1.00 0.00 N ATOM 1125 CA ALA A 105 1.774 -4.647 -1.238 1.00 0.00 C ATOM 1126 C ALA A 105 1.155 -3.458 -0.503 1.00 0.00 C ATOM 1127 O ALA A 105 -0.069 -3.424 -0.317 1.00 0.00 O ATOM 1128 CB ALA A 105 1.595 -4.508 -2.748 1.00 0.00 C ATOM 0 H ALA A 105 0.244 -6.077 -1.221 1.00 0.00 H new ATOM 0 HA ALA A 105 2.845 -4.687 -1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.085 -3.596 -3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.040 -5.368 -3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.532 -4.460 -2.986 1.00 0.00 H new ATOM 1134 N ILE A 106 1.971 -2.502 -0.058 1.00 0.00 N ATOM 1135 CA ILE A 106 1.449 -1.378 0.725 1.00 0.00 C ATOM 1136 C ILE A 106 1.404 -0.097 -0.111 1.00 0.00 C ATOM 1137 O ILE A 106 2.343 0.209 -0.857 1.00 0.00 O ATOM 1138 CB ILE A 106 2.275 -1.147 2.018 1.00 0.00 C ATOM 1139 CG1 ILE A 106 1.696 0.029 2.823 1.00 0.00 C ATOM 1140 CG2 ILE A 106 3.747 -0.915 1.696 1.00 0.00 C ATOM 1141 CD1 ILE A 106 2.478 0.358 4.075 1.00 0.00 C ATOM 0 H ILE A 106 2.978 -2.480 -0.221 1.00 0.00 H new ATOM 0 HA ILE A 106 0.432 -1.638 1.018 1.00 0.00 H new ATOM 0 HB ILE A 106 2.208 -2.047 2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.662 0.912 2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.668 -0.204 3.099 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.301 -0.756 2.621 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.148 -1.786 1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.846 -0.037 1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.008 1.197 4.588 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.490 -0.509 4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.500 0.624 3.806 1.00 0.00 H new ATOM 1153 N PHE A 107 0.299 0.644 0.017 1.00 0.00 N ATOM 1154 CA PHE A 107 0.067 1.863 -0.758 1.00 0.00 C ATOM 1155 C PHE A 107 -0.390 2.989 0.164 1.00 0.00 C ATOM 1156 O PHE A 107 -1.441 2.896 0.799 1.00 0.00 O ATOM 1157 CB PHE A 107 -0.991 1.622 -1.853 1.00 0.00 C ATOM 1158 CG PHE A 107 -0.484 0.852 -3.052 1.00 0.00 C ATOM 1159 CD1 PHE A 107 -0.155 -0.493 -2.951 1.00 0.00 C ATOM 1160 CD2 PHE A 107 -0.339 1.479 -4.284 1.00 0.00 C ATOM 1161 CE1 PHE A 107 0.310 -1.193 -4.047 1.00 0.00 C ATOM 1162 CE2 PHE A 107 0.126 0.782 -5.383 1.00 0.00 C ATOM 1163 CZ PHE A 107 0.452 -0.554 -5.264 1.00 0.00 C ATOM 0 H PHE A 107 -0.458 0.414 0.661 1.00 0.00 H new ATOM 0 HA PHE A 107 1.003 2.148 -1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.831 1.081 -1.417 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.373 2.585 -2.190 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.264 -0.999 -2.003 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.593 2.524 -4.384 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.562 -2.239 -3.953 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.234 1.282 -6.334 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.818 -1.099 -6.121 1.00 0.00 H new ATOM 1173 N MET A 108 0.408 4.044 0.248 1.00 0.00 N ATOM 1174 CA MET A 108 0.072 5.204 1.063 1.00 0.00 C ATOM 1175 C MET A 108 -0.482 6.317 0.181 1.00 0.00 C ATOM 1176 O MET A 108 0.190 6.775 -0.751 1.00 0.00 O ATOM 1177 CB MET A 108 1.304 5.698 1.836 1.00 0.00 C ATOM 1178 CG MET A 108 1.824 4.709 2.877 1.00 0.00 C ATOM 1179 SD MET A 108 2.358 3.143 2.157 1.00 0.00 S ATOM 1180 CE MET A 108 3.679 3.687 1.079 1.00 0.00 C ATOM 0 H MET A 108 1.299 4.121 -0.242 1.00 0.00 H new ATOM 0 HA MET A 108 -0.690 4.913 1.786 1.00 0.00 H new ATOM 0 HB2 MET A 108 2.102 5.915 1.126 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.056 6.636 2.333 1.00 0.00 H new ATOM 0 HG2 MET A 108 2.659 5.160 3.413 1.00 0.00 H new ATOM 0 HG3 MET A 108 1.041 4.517 3.611 1.00 0.00 H new ATOM 0 HE1 MET A 108 4.119 2.824 0.578 1.00 0.00 H new ATOM 0 HE2 MET A 108 3.280 4.375 0.334 1.00 0.00 H new ATOM 0 HE3 MET A 108 4.444 4.193 1.668 1.00 0.00 H new ATOM 1190 N LEU A 109 -1.713 6.737 0.470 1.00 0.00 N ATOM 1191 CA LEU A 109 -2.388 7.767 -0.311 1.00 0.00 C ATOM 1192 C LEU A 109 -2.390 9.095 0.445 1.00 0.00 C ATOM 1193 O LEU A 109 -2.933 9.191 1.550 1.00 0.00 O ATOM 1194 CB LEU A 109 -3.842 7.360 -0.625 1.00 0.00 C ATOM 1195 CG LEU A 109 -4.035 6.086 -1.479 1.00 0.00 C ATOM 1196 CD1 LEU A 109 -3.697 4.824 -0.687 1.00 0.00 C ATOM 1197 CD2 LEU A 109 -5.464 6.010 -2.015 1.00 0.00 C ATOM 0 H LEU A 109 -2.265 6.374 1.247 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.843 7.882 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.368 7.220 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.325 8.191 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.346 6.146 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.844 3.948 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.658 4.866 -0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.348 4.756 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.580 5.107 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -6.165 5.985 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.667 6.884 -2.634 1.00 0.00 H new ATOM 1209 N ARG A 110 -1.784 10.115 -0.151 1.00 0.00 N ATOM 1210 CA ARG A 110 -1.834 11.464 0.404 1.00 0.00 C ATOM 1211 C ARG A 110 -3.140 12.141 -0.004 1.00 0.00 C ATOM 1212 O ARG A 110 -3.538 13.153 0.576 1.00 0.00 O ATOM 1213 CB ARG A 110 -0.621 12.289 -0.057 1.00 0.00 C ATOM 1214 CG ARG A 110 0.592 12.193 0.870 1.00 0.00 C ATOM 1215 CD ARG A 110 0.338 12.889 2.212 1.00 0.00 C ATOM 1216 NE ARG A 110 -0.184 14.249 2.028 1.00 0.00 N ATOM 1217 CZ ARG A 110 0.509 15.264 1.500 1.00 0.00 C ATOM 1218 NH1 ARG A 110 1.772 15.101 1.127 1.00 0.00 N ATOM 1219 NH2 ARG A 110 -0.071 16.445 1.337 1.00 0.00 N ATOM 0 H ARG A 110 -1.252 10.035 -1.018 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.797 11.400 1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.329 11.959 -1.054 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.918 13.334 -0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.835 11.145 1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.457 12.644 0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.371 12.303 2.797 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.266 12.929 2.782 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.143 14.433 2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.225 14.194 1.242 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.290 15.883 0.726 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.044 16.578 1.614 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.455 17.220 0.935 1.00 0.00 H new ATOM 1233 N ASP A 111 -3.799 11.569 -1.009 1.00 0.00 N ATOM 1234 CA ASP A 111 -5.114 12.031 -1.444 1.00 0.00 C ATOM 1235 C ASP A 111 -6.089 10.858 -1.461 1.00 0.00 C ATOM 1236 O ASP A 111 -5.814 9.827 -2.076 1.00 0.00 O ATOM 1237 CB ASP A 111 -5.039 12.676 -2.831 1.00 0.00 C ATOM 1238 CG ASP A 111 -6.403 13.141 -3.320 1.00 0.00 C ATOM 1239 OD1 ASP A 111 -6.863 14.217 -2.886 1.00 0.00 O ATOM 1240 OD2 ASP A 111 -7.026 12.431 -4.132 1.00 0.00 O ATOM 0 H ASP A 111 -3.439 10.777 -1.542 1.00 0.00 H new ATOM 0 HA ASP A 111 -5.467 12.786 -0.741 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.357 13.526 -2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.624 11.961 -3.541 1.00 0.00 H new ATOM 1245 N GLY A 112 -7.218 11.015 -0.778 1.00 0.00 N ATOM 1246 CA GLY A 112 -8.175 9.926 -0.645 1.00 0.00 C ATOM 1247 C GLY A 112 -9.359 10.042 -1.588 1.00 0.00 C ATOM 1248 O GLY A 112 -10.331 9.295 -1.457 1.00 0.00 O ATOM 0 H GLY A 112 -7.490 11.880 -0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.665 8.980 -0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.540 9.897 0.382 1.00 0.00 H new ATOM 1252 N SER A 113 -9.287 10.963 -2.546 1.00 0.00 N ATOM 1253 CA SER A 113 -10.386 11.165 -3.490 1.00 0.00 C ATOM 1254 C SER A 113 -10.593 9.909 -4.342 1.00 0.00 C ATOM 1255 O SER A 113 -11.704 9.390 -4.447 1.00 0.00 O ATOM 1256 CB SER A 113 -10.099 12.373 -4.391 1.00 0.00 C ATOM 1257 OG SER A 113 -9.752 13.515 -3.622 1.00 0.00 O ATOM 0 H SER A 113 -8.486 11.578 -2.690 1.00 0.00 H new ATOM 0 HA SER A 113 -11.298 11.359 -2.925 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.287 12.133 -5.078 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.976 12.593 -4.999 1.00 0.00 H new ATOM 0 HG SER A 113 -9.572 14.270 -4.220 1.00 0.00 H new ATOM 1263 N TYR A 114 -9.502 9.422 -4.919 1.00 0.00 N ATOM 1264 CA TYR A 114 -9.531 8.245 -5.793 1.00 0.00 C ATOM 1265 C TYR A 114 -9.275 6.953 -5.011 1.00 0.00 C ATOM 1266 O TYR A 114 -8.846 5.952 -5.584 1.00 0.00 O ATOM 1267 CB TYR A 114 -8.491 8.405 -6.917 1.00 0.00 C ATOM 1268 CG TYR A 114 -7.115 8.810 -6.417 1.00 0.00 C ATOM 1269 CD1 TYR A 114 -6.251 7.879 -5.849 1.00 0.00 C ATOM 1270 CD2 TYR A 114 -6.689 10.131 -6.499 1.00 0.00 C ATOM 1271 CE1 TYR A 114 -5.008 8.254 -5.382 1.00 0.00 C ATOM 1272 CE2 TYR A 114 -5.448 10.510 -6.032 1.00 0.00 C ATOM 1273 CZ TYR A 114 -4.613 9.571 -5.474 1.00 0.00 C ATOM 1274 OH TYR A 114 -3.377 9.950 -5.005 1.00 0.00 O ATOM 0 H TYR A 114 -8.573 9.826 -4.798 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.528 8.172 -6.228 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -8.409 7.464 -7.461 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.846 9.153 -7.626 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -6.558 6.846 -5.772 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -7.341 10.873 -6.936 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -4.348 7.519 -4.946 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -5.133 11.541 -6.104 1.00 0.00 H new ATOM 0 HH TYR A 114 -3.450 10.209 -4.063 1.00 0.00 H new ATOM 1284 N ALA A 115 -9.566 6.971 -3.711 1.00 0.00 N ATOM 1285 CA ALA A 115 -9.324 5.812 -2.847 1.00 0.00 C ATOM 1286 C ALA A 115 -10.095 4.584 -3.335 1.00 0.00 C ATOM 1287 O ALA A 115 -9.517 3.518 -3.563 1.00 0.00 O ATOM 1288 CB ALA A 115 -9.701 6.139 -1.408 1.00 0.00 C ATOM 0 H ALA A 115 -9.970 7.775 -3.231 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.261 5.577 -2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.516 5.270 -0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.100 6.977 -1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.757 6.404 -1.360 1.00 0.00 H new ATOM 1294 N TRP A 116 -11.401 4.737 -3.505 1.00 0.00 N ATOM 1295 CA TRP A 116 -12.244 3.646 -3.984 1.00 0.00 C ATOM 1296 C TRP A 116 -11.986 3.370 -5.463 1.00 0.00 C ATOM 1297 O TRP A 116 -12.336 2.308 -5.970 1.00 0.00 O ATOM 1298 CB TRP A 116 -13.732 3.962 -3.732 1.00 0.00 C ATOM 1299 CG TRP A 116 -14.313 3.223 -2.557 1.00 0.00 C ATOM 1300 CD1 TRP A 116 -15.500 2.551 -2.525 1.00 0.00 C ATOM 1301 CD2 TRP A 116 -13.729 3.061 -1.252 1.00 0.00 C ATOM 1302 NE1 TRP A 116 -15.694 1.990 -1.288 1.00 0.00 N ATOM 1303 CE2 TRP A 116 -14.624 2.289 -0.490 1.00 0.00 C ATOM 1304 CE3 TRP A 116 -12.538 3.492 -0.655 1.00 0.00 C ATOM 1305 CZ2 TRP A 116 -14.370 1.940 0.833 1.00 0.00 C ATOM 1306 CZ3 TRP A 116 -12.289 3.146 0.661 1.00 0.00 C ATOM 1307 CH2 TRP A 116 -13.201 2.377 1.391 1.00 0.00 C ATOM 0 H TRP A 116 -11.902 5.606 -3.319 1.00 0.00 H new ATOM 0 HA TRP A 116 -11.989 2.745 -3.427 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -13.845 5.034 -3.569 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -14.304 3.714 -4.626 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -16.188 2.472 -3.354 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -16.505 1.439 -1.008 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -11.827 4.084 -1.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -15.072 1.345 1.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -11.375 3.475 1.133 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -12.977 2.123 2.417 1.00 0.00 H new ATOM 1318 N GLU A 117 -11.358 4.325 -6.144 1.00 0.00 N ATOM 1319 CA GLU A 117 -11.033 4.176 -7.559 1.00 0.00 C ATOM 1320 C GLU A 117 -9.848 3.220 -7.733 1.00 0.00 C ATOM 1321 O GLU A 117 -9.913 2.273 -8.523 1.00 0.00 O ATOM 1322 CB GLU A 117 -10.732 5.548 -8.175 1.00 0.00 C ATOM 1323 CG GLU A 117 -10.565 5.533 -9.690 1.00 0.00 C ATOM 1324 CD GLU A 117 -10.542 6.934 -10.281 1.00 0.00 C ATOM 1325 OE1 GLU A 117 -11.633 7.509 -10.495 1.00 0.00 O ATOM 1326 OE2 GLU A 117 -9.441 7.467 -10.528 1.00 0.00 O ATOM 0 H GLU A 117 -11.063 5.213 -5.737 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.890 3.748 -8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.539 6.234 -7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -9.821 5.943 -7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.639 5.017 -9.946 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.381 4.965 -10.138 1.00 0.00 H new ATOM 1333 N ILE A 118 -8.770 3.459 -6.981 1.00 0.00 N ATOM 1334 CA ILE A 118 -7.624 2.552 -6.981 1.00 0.00 C ATOM 1335 C ILE A 118 -8.061 1.188 -6.448 1.00 0.00 C ATOM 1336 O ILE A 118 -7.750 0.151 -7.036 1.00 0.00 O ATOM 1337 CB ILE A 118 -6.424 3.106 -6.150 1.00 0.00 C ATOM 1338 CG1 ILE A 118 -5.279 2.074 -6.074 1.00 0.00 C ATOM 1339 CG2 ILE A 118 -6.862 3.524 -4.751 1.00 0.00 C ATOM 1340 CD1 ILE A 118 -4.111 2.514 -5.211 1.00 0.00 C ATOM 0 H ILE A 118 -8.669 4.268 -6.369 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.273 2.455 -8.008 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.053 3.992 -6.664 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.674 1.136 -5.683 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.917 1.872 -7.082 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.003 3.905 -4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.620 4.303 -4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -7.277 2.663 -4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -3.348 1.736 -5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.689 3.435 -5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -4.457 2.687 -4.192 1.00 0.00 H new ATOM 1352 N LYS A 119 -8.825 1.206 -5.353 1.00 0.00 N ATOM 1353 CA LYS A 119 -9.387 -0.011 -4.771 1.00 0.00 C ATOM 1354 C LYS A 119 -10.197 -0.781 -5.818 1.00 0.00 C ATOM 1355 O LYS A 119 -10.053 -2.000 -5.964 1.00 0.00 O ATOM 1356 CB LYS A 119 -10.269 0.361 -3.568 1.00 0.00 C ATOM 1357 CG LYS A 119 -11.005 -0.814 -2.932 1.00 0.00 C ATOM 1358 CD LYS A 119 -11.809 -0.369 -1.710 1.00 0.00 C ATOM 1359 CE LYS A 119 -12.628 -1.510 -1.117 1.00 0.00 C ATOM 1360 NZ LYS A 119 -13.687 -1.981 -2.049 1.00 0.00 N ATOM 0 H LYS A 119 -9.069 2.059 -4.849 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.576 -0.657 -4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.645 0.835 -2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.002 1.102 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -11.673 -1.267 -3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -10.287 -1.580 -2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -11.130 0.021 -0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.475 0.447 -1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -11.967 -2.341 -0.871 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -13.086 -1.180 -0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.343 -2.607 -1.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.209 -1.163 -2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -13.250 -2.503 -2.836 1.00 0.00 H new ATOM 1374 N ASP A 120 -11.026 -0.049 -6.561 1.00 0.00 N ATOM 1375 CA ASP A 120 -11.850 -0.635 -7.615 1.00 0.00 C ATOM 1376 C ASP A 120 -10.971 -1.307 -8.663 1.00 0.00 C ATOM 1377 O ASP A 120 -11.258 -2.419 -9.109 1.00 0.00 O ATOM 1378 CB ASP A 120 -12.729 0.434 -8.277 1.00 0.00 C ATOM 1379 CG ASP A 120 -13.655 -0.146 -9.335 1.00 0.00 C ATOM 1380 OD1 ASP A 120 -14.687 -0.745 -8.963 1.00 0.00 O ATOM 1381 OD2 ASP A 120 -13.358 -0.009 -10.540 1.00 0.00 O ATOM 0 H ASP A 120 -11.144 0.958 -6.450 1.00 0.00 H new ATOM 0 HA ASP A 120 -12.498 -1.385 -7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -13.324 0.934 -7.513 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -12.092 1.192 -8.733 1.00 0.00 H new ATOM 1386 N PHE A 121 -9.882 -0.635 -9.033 1.00 0.00 N ATOM 1387 CA PHE A 121 -8.929 -1.170 -10.000 1.00 0.00 C ATOM 1388 C PHE A 121 -8.317 -2.474 -9.488 1.00 0.00 C ATOM 1389 O PHE A 121 -8.118 -3.421 -10.250 1.00 0.00 O ATOM 1390 CB PHE A 121 -7.829 -0.130 -10.271 1.00 0.00 C ATOM 1391 CG PHE A 121 -6.659 -0.648 -11.079 1.00 0.00 C ATOM 1392 CD1 PHE A 121 -6.792 -0.913 -12.436 1.00 0.00 C ATOM 1393 CD2 PHE A 121 -5.424 -0.863 -10.478 1.00 0.00 C ATOM 1394 CE1 PHE A 121 -5.720 -1.382 -13.173 1.00 0.00 C ATOM 1395 CE2 PHE A 121 -4.350 -1.332 -11.211 1.00 0.00 C ATOM 1396 CZ PHE A 121 -4.498 -1.591 -12.560 1.00 0.00 C ATOM 0 H PHE A 121 -9.638 0.288 -8.674 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.453 -1.385 -10.931 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.270 0.717 -10.796 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.458 0.244 -9.317 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.743 -0.751 -12.921 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.302 -0.661 -9.424 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -5.837 -1.585 -14.227 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.397 -1.496 -10.730 1.00 0.00 H new ATOM 0 HZ PHE A 121 -3.660 -1.956 -13.135 1.00 0.00 H new ATOM 1406 N LEU A 122 -8.033 -2.517 -8.190 1.00 0.00 N ATOM 1407 CA LEU A 122 -7.411 -3.688 -7.576 1.00 0.00 C ATOM 1408 C LEU A 122 -8.372 -4.882 -7.562 1.00 0.00 C ATOM 1409 O LEU A 122 -7.960 -6.027 -7.772 1.00 0.00 O ATOM 1410 CB LEU A 122 -6.938 -3.359 -6.150 1.00 0.00 C ATOM 1411 CG LEU A 122 -6.022 -2.126 -6.035 1.00 0.00 C ATOM 1412 CD1 LEU A 122 -5.462 -1.985 -4.623 1.00 0.00 C ATOM 1413 CD2 LEU A 122 -4.897 -2.179 -7.064 1.00 0.00 C ATOM 0 H LEU A 122 -8.224 -1.754 -7.541 1.00 0.00 H new ATOM 0 HA LEU A 122 -6.544 -3.963 -8.177 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -7.814 -3.202 -5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -6.409 -4.224 -5.750 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.627 -1.244 -6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.819 -1.106 -4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.283 -1.875 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.883 -2.873 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.266 -1.296 -6.959 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.297 -3.075 -6.902 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.322 -2.204 -8.067 1.00 0.00 H new ATOM 1425 N VAL A 123 -9.655 -4.617 -7.318 1.00 0.00 N ATOM 1426 CA VAL A 123 -10.662 -5.682 -7.298 1.00 0.00 C ATOM 1427 C VAL A 123 -11.168 -5.994 -8.710 1.00 0.00 C ATOM 1428 O VAL A 123 -11.755 -7.051 -8.951 1.00 0.00 O ATOM 1429 CB VAL A 123 -11.865 -5.327 -6.385 1.00 0.00 C ATOM 1430 CG1 VAL A 123 -11.392 -5.002 -4.970 1.00 0.00 C ATOM 1431 CG2 VAL A 123 -12.679 -4.174 -6.967 1.00 0.00 C ATOM 0 H VAL A 123 -10.021 -3.683 -7.133 1.00 0.00 H new ATOM 0 HA VAL A 123 -10.170 -6.565 -6.891 1.00 0.00 H new ATOM 0 HB VAL A 123 -12.516 -6.199 -6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -12.252 -4.756 -4.347 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -10.876 -5.866 -4.552 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -10.711 -4.152 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -13.515 -3.948 -6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -12.044 -3.293 -7.064 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -13.060 -4.456 -7.949 1.00 0.00 H new ATOM 1441 N SER A 124 -10.917 -5.076 -9.642 1.00 0.00 N ATOM 1442 CA SER A 124 -11.349 -5.223 -11.036 1.00 0.00 C ATOM 1443 C SER A 124 -10.469 -6.228 -11.792 1.00 0.00 C ATOM 1444 O SER A 124 -10.668 -6.467 -12.984 1.00 0.00 O ATOM 1445 CB SER A 124 -11.325 -3.856 -11.743 1.00 0.00 C ATOM 1446 OG SER A 124 -11.943 -3.914 -13.020 1.00 0.00 O ATOM 0 H SER A 124 -10.410 -4.211 -9.456 1.00 0.00 H new ATOM 0 HA SER A 124 -12.369 -5.608 -11.034 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.836 -3.118 -11.125 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.294 -3.521 -11.853 1.00 0.00 H new ATOM 0 HG SER A 124 -11.871 -4.824 -13.377 1.00 0.00 H new ATOM 1452 N GLN A 125 -9.507 -6.817 -11.093 1.00 0.00 N ATOM 1453 CA GLN A 125 -8.516 -7.692 -11.717 1.00 0.00 C ATOM 1454 C GLN A 125 -9.008 -9.140 -11.784 1.00 0.00 C ATOM 1455 O GLN A 125 -9.920 -9.532 -11.055 1.00 0.00 O ATOM 1456 CB GLN A 125 -7.195 -7.618 -10.948 1.00 0.00 C ATOM 1457 CG GLN A 125 -6.548 -6.241 -10.991 1.00 0.00 C ATOM 1458 CD GLN A 125 -5.286 -6.163 -10.156 1.00 0.00 C ATOM 1459 OE1 GLN A 125 -4.588 -7.157 -9.970 1.00 0.00 O ATOM 1460 NE2 GLN A 125 -4.976 -4.982 -9.654 1.00 0.00 N ATOM 0 H GLN A 125 -9.390 -6.705 -10.086 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.359 -7.347 -12.739 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -7.372 -7.896 -9.909 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.501 -8.351 -11.361 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -6.312 -5.987 -12.024 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -7.261 -5.497 -10.635 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -5.580 -4.179 -9.830 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -4.133 -4.873 -9.091 1.00 0.00 H new ATOM 1469 N ASP A 126 -8.385 -9.918 -12.669 1.00 0.00 N ATOM 1470 CA ASP A 126 -8.728 -11.332 -12.862 1.00 0.00 C ATOM 1471 C ASP A 126 -8.715 -12.096 -11.537 1.00 0.00 C ATOM 1472 O ASP A 126 -9.766 -12.535 -11.063 1.00 0.00 O ATOM 1473 CB ASP A 126 -7.776 -11.997 -13.870 1.00 0.00 C ATOM 1474 CG ASP A 126 -8.103 -11.626 -15.309 1.00 0.00 C ATOM 1475 OD1 ASP A 126 -8.910 -12.343 -15.943 1.00 0.00 O ATOM 1476 OD2 ASP A 126 -7.574 -10.608 -15.806 1.00 0.00 O ATOM 0 H ASP A 126 -7.630 -9.590 -13.272 1.00 0.00 H new ATOM 0 HA ASP A 126 -9.740 -11.369 -13.264 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -6.751 -11.703 -13.646 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -7.829 -13.080 -13.756 1.00 0.00 H new ATOM 1481 N ARG A 127 -7.530 -12.240 -10.936 1.00 0.00 N ATOM 1482 CA ARG A 127 -7.402 -12.937 -9.651 1.00 0.00 C ATOM 1483 C ARG A 127 -7.981 -12.095 -8.514 1.00 0.00 C ATOM 1484 O ARG A 127 -8.338 -12.628 -7.461 1.00 0.00 O ATOM 1485 CB ARG A 127 -5.935 -13.302 -9.351 1.00 0.00 C ATOM 1486 CG ARG A 127 -5.358 -14.365 -10.284 1.00 0.00 C ATOM 1487 CD ARG A 127 -4.091 -15.008 -9.718 1.00 0.00 C ATOM 1488 NE ARG A 127 -2.946 -14.090 -9.675 1.00 0.00 N ATOM 1489 CZ ARG A 127 -1.885 -14.252 -8.875 1.00 0.00 C ATOM 1490 NH1 ARG A 127 -1.869 -15.213 -7.957 1.00 0.00 N ATOM 1491 NH2 ARG A 127 -0.844 -13.438 -8.974 1.00 0.00 N ATOM 0 H ARG A 127 -6.651 -11.886 -11.315 1.00 0.00 H new ATOM 0 HA ARG A 127 -7.972 -13.863 -9.725 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -5.325 -12.401 -9.421 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -5.862 -13.657 -8.323 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -6.107 -15.137 -10.459 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -5.133 -13.914 -11.250 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -4.295 -15.372 -8.711 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -3.830 -15.876 -10.324 1.00 0.00 H new ATOM 0 HE ARG A 127 -2.960 -13.279 -10.293 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -2.670 -15.836 -7.857 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -1.055 -15.328 -7.353 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -0.849 -12.685 -9.662 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -0.037 -13.565 -8.363 1.00 0.00 H new ATOM 1505 N CYS A 128 -8.078 -10.784 -8.746 1.00 0.00 N ATOM 1506 CA CYS A 128 -8.622 -9.834 -7.769 1.00 0.00 C ATOM 1507 C CYS A 128 -7.697 -9.679 -6.559 1.00 0.00 C ATOM 1508 O CYS A 128 -7.195 -10.664 -6.010 1.00 0.00 O ATOM 1509 CB CYS A 128 -10.026 -10.262 -7.311 1.00 0.00 C ATOM 1510 SG CYS A 128 -11.211 -10.462 -8.661 1.00 0.00 S ATOM 0 H CYS A 128 -7.781 -10.349 -9.619 1.00 0.00 H new ATOM 0 HA CYS A 128 -8.695 -8.866 -8.265 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -9.948 -11.203 -6.767 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -10.410 -9.520 -6.611 1.00 0.00 H new ATOM 0 HG CYS A 128 -10.804 -9.793 -9.699 1.00 0.00 H new ATOM 1516 N ALA A 129 -7.465 -8.434 -6.157 1.00 0.00 N ATOM 1517 CA ALA A 129 -6.647 -8.139 -4.984 1.00 0.00 C ATOM 1518 C ALA A 129 -7.534 -7.821 -3.782 1.00 0.00 C ATOM 1519 O ALA A 129 -8.631 -7.274 -3.936 1.00 0.00 O ATOM 1520 CB ALA A 129 -5.706 -6.979 -5.280 1.00 0.00 C ATOM 0 H ALA A 129 -7.834 -7.608 -6.629 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.049 -9.018 -4.743 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -5.101 -6.767 -4.399 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -5.054 -7.243 -6.113 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -6.289 -6.095 -5.541 1.00 0.00 H new ATOM 1526 N GLU A 130 -7.060 -8.180 -2.592 1.00 0.00 N ATOM 1527 CA GLU A 130 -7.799 -7.941 -1.354 1.00 0.00 C ATOM 1528 C GLU A 130 -7.256 -6.696 -0.649 1.00 0.00 C ATOM 1529 O GLU A 130 -6.090 -6.659 -0.251 1.00 0.00 O ATOM 1530 CB GLU A 130 -7.695 -9.171 -0.445 1.00 0.00 C ATOM 1531 CG GLU A 130 -8.201 -10.449 -1.105 1.00 0.00 C ATOM 1532 CD GLU A 130 -7.986 -11.684 -0.248 1.00 0.00 C ATOM 1533 OE1 GLU A 130 -6.893 -12.279 -0.318 1.00 0.00 O ATOM 1534 OE2 GLU A 130 -8.913 -12.069 0.499 1.00 0.00 O ATOM 0 H GLU A 130 -6.160 -8.641 -2.458 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.850 -7.769 -1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.655 -9.309 -0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -8.264 -8.990 0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -9.264 -10.344 -1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -7.694 -10.584 -2.060 1.00 0.00 H new ATOM 1541 N VAL A 131 -8.107 -5.685 -0.498 1.00 0.00 N ATOM 1542 CA VAL A 131 -7.683 -4.386 0.018 1.00 0.00 C ATOM 1543 C VAL A 131 -8.242 -4.133 1.419 1.00 0.00 C ATOM 1544 O VAL A 131 -9.427 -4.356 1.675 1.00 0.00 O ATOM 1545 CB VAL A 131 -8.146 -3.240 -0.920 1.00 0.00 C ATOM 1546 CG1 VAL A 131 -7.576 -1.895 -0.468 1.00 0.00 C ATOM 1547 CG2 VAL A 131 -7.762 -3.539 -2.369 1.00 0.00 C ATOM 0 H VAL A 131 -9.099 -5.741 -0.727 1.00 0.00 H new ATOM 0 HA VAL A 131 -6.594 -4.403 0.066 1.00 0.00 H new ATOM 0 HB VAL A 131 -9.233 -3.176 -0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.917 -1.110 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -7.918 -1.677 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -6.487 -1.938 -0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -8.096 -2.723 -3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.679 -3.640 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -8.236 -4.467 -2.687 1.00 0.00 H new ATOM 1557 N THR A 132 -7.379 -3.658 2.317 1.00 0.00 N ATOM 1558 CA THR A 132 -7.779 -3.268 3.667 1.00 0.00 C ATOM 1559 C THR A 132 -7.082 -1.961 4.046 1.00 0.00 C ATOM 1560 O THR A 132 -5.951 -1.716 3.618 1.00 0.00 O ATOM 1561 CB THR A 132 -7.442 -4.367 4.709 1.00 0.00 C ATOM 1562 OG1 THR A 132 -6.075 -4.789 4.565 1.00 0.00 O ATOM 1563 CG2 THR A 132 -8.366 -5.575 4.563 1.00 0.00 C ATOM 0 H THR A 132 -6.384 -3.533 2.128 1.00 0.00 H new ATOM 0 HA THR A 132 -8.860 -3.130 3.672 1.00 0.00 H new ATOM 0 HB THR A 132 -7.589 -3.938 5.700 1.00 0.00 H new ATOM 0 HG1 THR A 132 -5.684 -4.367 3.772 1.00 0.00 H new ATOM 0 HG21 THR A 132 -8.103 -6.326 5.308 1.00 0.00 H new ATOM 0 HG22 THR A 132 -9.400 -5.263 4.712 1.00 0.00 H new ATOM 0 HG23 THR A 132 -8.255 -5.999 3.565 1.00 0.00 H new ATOM 1571 N LEU A 133 -7.756 -1.111 4.819 1.00 0.00 N ATOM 1572 CA LEU A 133 -7.196 0.186 5.205 1.00 0.00 C ATOM 1573 C LEU A 133 -6.338 0.050 6.462 1.00 0.00 C ATOM 1574 O LEU A 133 -6.485 -0.909 7.222 1.00 0.00 O ATOM 1575 CB LEU A 133 -8.325 1.200 5.451 1.00 0.00 C ATOM 1576 CG LEU A 133 -9.281 1.432 4.265 1.00 0.00 C ATOM 1577 CD1 LEU A 133 -10.421 2.371 4.660 1.00 0.00 C ATOM 1578 CD2 LEU A 133 -8.523 1.983 3.059 1.00 0.00 C ATOM 0 H LEU A 133 -8.688 -1.295 5.190 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.567 0.543 4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.911 0.864 6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.878 2.155 5.726 1.00 0.00 H new ATOM 0 HG LEU A 133 -9.714 0.471 3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -11.082 2.519 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -10.984 1.933 5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -10.010 3.331 4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -9.217 2.139 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -8.056 2.931 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -7.754 1.272 2.757 1.00 0.00 H new ATOM 1590 N GLU A 134 -5.446 1.013 6.666 1.00 0.00 N ATOM 1591 CA GLU A 134 -4.554 1.017 7.824 1.00 0.00 C ATOM 1592 C GLU A 134 -5.324 1.459 9.076 1.00 0.00 C ATOM 1593 O GLU A 134 -6.172 2.354 9.008 1.00 0.00 O ATOM 1594 CB GLU A 134 -3.362 1.961 7.561 1.00 0.00 C ATOM 1595 CG GLU A 134 -2.051 1.548 8.237 1.00 0.00 C ATOM 1596 CD GLU A 134 -2.146 1.442 9.753 1.00 0.00 C ATOM 1597 OE1 GLU A 134 -2.069 2.484 10.432 1.00 0.00 O ATOM 1598 OE2 GLU A 134 -2.300 0.313 10.270 1.00 0.00 O ATOM 0 H GLU A 134 -5.320 1.808 6.040 1.00 0.00 H new ATOM 0 HA GLU A 134 -4.173 0.009 7.989 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.196 2.022 6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -3.629 2.962 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -1.733 0.586 7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -1.278 2.272 7.981 1.00 0.00 H new ATOM 1605 N GLY A 135 -5.026 0.825 10.206 1.00 0.00 N ATOM 1606 CA GLY A 135 -5.650 1.181 11.468 1.00 0.00 C ATOM 1607 C GLY A 135 -7.114 0.784 11.536 1.00 0.00 C ATOM 1608 O GLY A 135 -7.462 -0.249 12.116 1.00 0.00 O ATOM 0 H GLY A 135 -4.354 0.060 10.269 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -5.110 0.699 12.283 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -5.563 2.257 11.620 1.00 0.00 H new ATOM 1612 N GLN A 136 -7.970 1.604 10.933 1.00 0.00 N ATOM 1613 CA GLN A 136 -9.417 1.401 10.967 1.00 0.00 C ATOM 1614 C GLN A 136 -10.008 1.544 9.570 1.00 0.00 C ATOM 1615 O GLN A 136 -9.459 2.250 8.723 1.00 0.00 O ATOM 1616 CB GLN A 136 -10.082 2.413 11.917 1.00 0.00 C ATOM 1617 CG GLN A 136 -9.814 2.152 13.397 1.00 0.00 C ATOM 1618 CD GLN A 136 -10.449 0.860 13.891 1.00 0.00 C ATOM 1619 OE1 GLN A 136 -11.598 0.849 14.331 1.00 0.00 O ATOM 1620 NE2 GLN A 136 -9.709 -0.238 13.824 1.00 0.00 N ATOM 0 H GLN A 136 -7.681 2.428 10.407 1.00 0.00 H new ATOM 0 HA GLN A 136 -9.610 0.392 11.333 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -9.731 3.414 11.667 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -11.159 2.401 11.747 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -8.738 2.110 13.565 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -10.196 2.987 13.984 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -8.760 -0.192 13.453 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -10.089 -1.129 14.143 1.00 0.00 H new ATOM 1629 N MET A 137 -11.126 0.871 9.335 1.00 0.00 N ATOM 1630 CA MET A 137 -11.828 0.962 8.059 1.00 0.00 C ATOM 1631 C MET A 137 -13.199 1.593 8.259 1.00 0.00 C ATOM 1632 O MET A 137 -13.859 1.352 9.272 1.00 0.00 O ATOM 1633 CB MET A 137 -11.987 -0.423 7.415 1.00 0.00 C ATOM 1634 CG MET A 137 -10.669 -1.113 7.093 1.00 0.00 C ATOM 1635 SD MET A 137 -10.887 -2.596 6.085 1.00 0.00 S ATOM 1636 CE MET A 137 -11.577 -1.901 4.583 1.00 0.00 C ATOM 0 H MET A 137 -11.569 0.253 10.014 1.00 0.00 H new ATOM 0 HA MET A 137 -11.234 1.587 7.392 1.00 0.00 H new ATOM 0 HB2 MET A 137 -12.564 -1.060 8.086 1.00 0.00 H new ATOM 0 HB3 MET A 137 -12.565 -0.321 6.497 1.00 0.00 H new ATOM 0 HG2 MET A 137 -10.017 -0.415 6.569 1.00 0.00 H new ATOM 0 HG3 MET A 137 -10.167 -1.381 8.023 1.00 0.00 H new ATOM 0 HE1 MET A 137 -12.623 -2.193 4.494 1.00 0.00 H new ATOM 0 HE2 MET A 137 -11.506 -0.814 4.619 1.00 0.00 H new ATOM 0 HE3 MET A 137 -11.022 -2.273 3.722 1.00 0.00 H new ATOM 1646 N TYR A 138 -13.608 2.414 7.299 1.00 0.00 N ATOM 1647 CA TYR A 138 -14.934 3.026 7.316 1.00 0.00 C ATOM 1648 C TYR A 138 -16.012 2.010 6.902 1.00 0.00 C ATOM 1649 O TYR A 138 -17.078 1.958 7.517 1.00 0.00 O ATOM 1650 CB TYR A 138 -14.966 4.264 6.403 1.00 0.00 C ATOM 1651 CG TYR A 138 -13.941 5.322 6.779 1.00 0.00 C ATOM 1652 CD1 TYR A 138 -14.234 6.305 7.719 1.00 0.00 C ATOM 1653 CD2 TYR A 138 -12.675 5.330 6.198 1.00 0.00 C ATOM 1654 CE1 TYR A 138 -13.299 7.263 8.068 1.00 0.00 C ATOM 1655 CE2 TYR A 138 -11.738 6.286 6.542 1.00 0.00 C ATOM 1656 CZ TYR A 138 -12.053 7.249 7.477 1.00 0.00 C ATOM 1657 OH TYR A 138 -11.119 8.197 7.824 1.00 0.00 O ATOM 0 H TYR A 138 -13.038 2.673 6.494 1.00 0.00 H new ATOM 0 HA TYR A 138 -15.151 3.346 8.335 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -14.792 3.951 5.374 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -15.962 4.706 6.438 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -15.208 6.320 8.184 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -12.421 4.577 5.467 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -13.544 8.018 8.800 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -10.762 6.279 6.080 1.00 0.00 H new ATOM 0 HH TYR A 138 -10.294 8.045 7.317 1.00 0.00 H new ATOM 1667 N PRO A 139 -15.776 1.198 5.839 1.00 0.00 N ATOM 1668 CA PRO A 139 -16.690 0.111 5.470 1.00 0.00 C ATOM 1669 C PRO A 139 -16.436 -1.156 6.291 1.00 0.00 C ATOM 1670 O PRO A 139 -15.299 -1.427 6.697 1.00 0.00 O ATOM 1671 CB PRO A 139 -16.355 -0.123 3.996 1.00 0.00 C ATOM 1672 CG PRO A 139 -14.895 0.166 3.911 1.00 0.00 C ATOM 1673 CD PRO A 139 -14.637 1.286 4.891 1.00 0.00 C ATOM 0 HA PRO A 139 -17.735 0.360 5.652 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -16.578 -1.146 3.693 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -16.931 0.535 3.346 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -14.307 -0.716 4.163 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -14.613 0.459 2.900 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -13.682 1.159 5.401 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -14.606 2.255 4.392 1.00 0.00 H new ATOM 1681 N GLY A 140 -17.493 -1.927 6.527 1.00 0.00 N ATOM 1682 CA GLY A 140 -17.365 -3.175 7.260 1.00 0.00 C ATOM 1683 C GLY A 140 -17.266 -2.956 8.755 1.00 0.00 C ATOM 1684 O GLY A 140 -16.451 -3.591 9.429 1.00 0.00 O ATOM 0 H GLY A 140 -18.441 -1.708 6.222 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -18.224 -3.810 7.044 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -16.479 -3.708 6.914 1.00 0.00 H new ATOM 1688 N LYS A 141 -18.093 -2.050 9.269 1.00 0.00 N ATOM 1689 CA LYS A 141 -18.131 -1.755 10.702 1.00 0.00 C ATOM 1690 C LYS A 141 -18.595 -2.980 11.489 1.00 0.00 C ATOM 1691 O LYS A 141 -19.599 -3.606 11.137 1.00 0.00 O ATOM 1692 CB LYS A 141 -19.070 -0.572 10.982 1.00 0.00 C ATOM 1693 CG LYS A 141 -18.669 0.718 10.272 1.00 0.00 C ATOM 1694 CD LYS A 141 -19.668 1.842 10.542 1.00 0.00 C ATOM 1695 CE LYS A 141 -19.280 3.136 9.833 1.00 0.00 C ATOM 1696 NZ LYS A 141 -20.281 4.216 10.060 1.00 0.00 N ATOM 0 H LYS A 141 -18.750 -1.503 8.712 1.00 0.00 H new ATOM 0 HA LYS A 141 -17.123 -1.491 11.022 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -20.081 -0.843 10.678 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -19.099 -0.390 12.056 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -17.677 1.024 10.605 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -18.604 0.538 9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -20.660 1.532 10.213 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -19.730 2.022 11.615 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -18.304 3.466 10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -19.184 2.949 8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -19.981 5.078 9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -21.208 3.912 9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -20.355 4.413 11.079 1.00 0.00 H new TER 1710 LYS A 141