USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 747 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 21 LYS NZ :NH3+ 161:sc= 0.363 (180deg=0) USER MOD Set 1.2: A 80 TYR OH : rot 180:sc= 0.338 USER MOD Set 2.1: A 73 ASN : amide:sc= -0.65 K(o=-0.88,f=-2.6!) USER MOD Set 2.2: A 77 HIS : no HD1:sc= -0.231 K(o=-0.88,f=-0.34) USER MOD Set 3.1: A 72 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 88 HIS : no HD1:sc=-0.00884 X(o=-0.0088,f=0.048) USER MOD Set 4.1: A 29 MET CE :methyl 164:sc= -0.301 (180deg=-0.722) USER MOD Set 4.2: A 70 SER OG : rot 85:sc= 1.01 USER MOD Set 5.1: A 36 THR OG1 : rot 111:sc= 0.111 USER MOD Set 5.2: A 38 SER OG : rot 180:sc= 0.61 USER MOD Single : A 1 MET CE :methyl 160:sc= -7.62! (180deg=-8.26!) USER MOD Single : A 1 MET N :NH3+ -116:sc=-0.00347 (180deg=-2.18!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0.132 X(o=0.13,f=-0.17) USER MOD Single : A 8 CYS SG : rot 86:sc= -1.04 USER MOD Single : A 11 GLN : amide:sc= -1.38! K(o=-1.4!,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -2.42 K(o=-2.4,f=-1.8) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 164:sc= -3.35! (180deg=-4.41!) USER MOD Single : A 28 HIS : no HD1:sc= 0.0374 K(o=0.037,f=-6.1!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -164:sc= -0.0444 (180deg=-0.315) USER MOD Single : A 45 ASN : amide:sc= -3.87! K(o=-3.9!,f=-0.48) USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00611 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 50 GLN : amide:sc= -0.855 K(o=-0.85,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.15 K(o=-0.15,f=-3.4!) USER MOD Single : A 55 MET CE :methyl 150:sc= -1.2 (180deg=-2.27!) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= -0.0279 (180deg=-0.235) USER MOD Single : A 59 MET CE :methyl -155:sc= -7.22! (180deg=-10.8!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 1.24 (180deg=0.985) USER MOD Single : A 65 ASN : amide:sc= -0.0622 K(o=-0.062,f=-3.4!) USER MOD Single : A 67 SER OG : rot -140:sc= 0.0115 USER MOD Single : A 68 TYR OH : rot -151:sc= -3.17! USER MOD Single : A 81 LYS NZ :NH3+ 138:sc= 1.01 (180deg=0.123) USER MOD ----------------------------------------------------------------- ATOM 61 N MET A 1 5.871 -7.012 -9.331 1.00 0.00 N ATOM 62 CA MET A 1 5.117 -6.484 -10.464 1.00 0.00 C ATOM 63 C MET A 1 6.025 -6.311 -11.685 1.00 0.00 C ATOM 64 O MET A 1 7.127 -6.866 -11.743 1.00 0.00 O ATOM 65 CB MET A 1 4.430 -5.160 -10.096 1.00 0.00 C ATOM 66 CG MET A 1 5.371 -3.973 -9.957 1.00 0.00 C ATOM 67 SD MET A 1 4.730 -2.722 -8.849 1.00 0.00 S ATOM 68 CE MET A 1 4.299 -3.726 -7.433 1.00 0.00 C ATOM 0 H1 MET A 1 5.505 -7.952 -9.078 1.00 0.00 H new ATOM 0 H2 MET A 1 6.876 -7.089 -9.588 1.00 0.00 H new ATOM 0 H3 MET A 1 5.770 -6.371 -8.518 1.00 0.00 H new ATOM 0 HA MET A 1 4.340 -7.204 -10.720 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.685 -4.929 -10.858 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.894 -5.293 -9.156 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.337 -4.319 -9.590 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.543 -3.532 -10.939 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.225 -3.094 -6.548 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.341 -4.214 -7.611 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.068 -4.482 -7.276 1.00 0.00 H new ATOM 78 N ASP A 2 5.558 -5.560 -12.659 1.00 0.00 N ATOM 79 CA ASP A 2 6.321 -5.343 -13.874 1.00 0.00 C ATOM 80 C ASP A 2 7.480 -4.403 -13.632 1.00 0.00 C ATOM 81 O ASP A 2 7.324 -3.349 -13.025 1.00 0.00 O ATOM 82 CB ASP A 2 5.443 -4.822 -15.001 1.00 0.00 C ATOM 83 CG ASP A 2 6.227 -4.669 -16.283 1.00 0.00 C ATOM 84 OD1 ASP A 2 6.751 -5.686 -16.789 1.00 0.00 O ATOM 85 OD2 ASP A 2 6.341 -3.533 -16.777 1.00 0.00 O ATOM 0 H ASP A 2 4.654 -5.088 -12.635 1.00 0.00 H new ATOM 0 HA ASP A 2 6.721 -6.310 -14.178 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.610 -5.506 -15.161 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.016 -3.860 -14.717 1.00 0.00 H new ATOM 90 N ALA A 3 8.643 -4.814 -14.102 1.00 0.00 N ATOM 91 CA ALA A 3 9.861 -4.046 -13.941 1.00 0.00 C ATOM 92 C ALA A 3 9.740 -2.683 -14.603 1.00 0.00 C ATOM 93 O ALA A 3 10.093 -1.669 -14.007 1.00 0.00 O ATOM 94 CB ALA A 3 11.053 -4.809 -14.498 1.00 0.00 C ATOM 0 H ALA A 3 8.769 -5.691 -14.607 1.00 0.00 H new ATOM 0 HA ALA A 3 10.021 -3.888 -12.874 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.958 -4.216 -14.368 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.160 -5.755 -13.967 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.897 -5.004 -15.559 1.00 0.00 H new ATOM 100 N LYS A 4 9.219 -2.659 -15.824 1.00 0.00 N ATOM 101 CA LYS A 4 9.040 -1.406 -16.549 1.00 0.00 C ATOM 102 C LYS A 4 8.008 -0.532 -15.843 1.00 0.00 C ATOM 103 O LYS A 4 8.163 0.688 -15.765 1.00 0.00 O ATOM 104 CB LYS A 4 8.607 -1.671 -17.995 1.00 0.00 C ATOM 105 CG LYS A 4 8.522 -0.412 -18.849 1.00 0.00 C ATOM 106 CD LYS A 4 9.890 0.226 -19.039 1.00 0.00 C ATOM 107 CE LYS A 4 9.799 1.531 -19.814 1.00 0.00 C ATOM 108 NZ LYS A 4 11.134 2.160 -20.010 1.00 0.00 N ATOM 0 H LYS A 4 8.914 -3.489 -16.332 1.00 0.00 H new ATOM 0 HA LYS A 4 9.995 -0.882 -16.568 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.311 -2.364 -18.455 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.634 -2.162 -17.989 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.096 -0.659 -19.822 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.848 0.304 -18.378 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.343 0.412 -18.065 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.544 -0.467 -19.568 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.341 1.344 -20.785 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.147 2.224 -19.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.025 3.047 -20.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.562 2.363 -19.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.749 1.511 -20.541 1.00 0.00 H new ATOM 122 N ALA A 5 6.967 -1.163 -15.319 1.00 0.00 N ATOM 123 CA ALA A 5 5.916 -0.459 -14.607 1.00 0.00 C ATOM 124 C ALA A 5 6.430 0.107 -13.286 1.00 0.00 C ATOM 125 O ALA A 5 6.293 1.298 -13.012 1.00 0.00 O ATOM 126 CB ALA A 5 4.784 -1.433 -14.345 1.00 0.00 C ATOM 0 H ALA A 5 6.829 -2.172 -15.376 1.00 0.00 H new ATOM 0 HA ALA A 5 5.569 0.378 -15.213 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.982 -0.924 -13.810 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.404 -1.812 -15.293 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.151 -2.264 -13.743 1.00 0.00 H new ATOM 132 N ARG A 6 7.007 -0.767 -12.472 1.00 0.00 N ATOM 133 CA ARG A 6 7.514 -0.383 -11.167 1.00 0.00 C ATOM 134 C ARG A 6 8.657 0.630 -11.273 1.00 0.00 C ATOM 135 O ARG A 6 8.860 1.456 -10.378 1.00 0.00 O ATOM 136 CB ARG A 6 7.956 -1.629 -10.404 1.00 0.00 C ATOM 137 CG ARG A 6 8.051 -1.406 -8.906 1.00 0.00 C ATOM 138 CD ARG A 6 8.291 -2.709 -8.157 1.00 0.00 C ATOM 139 NE ARG A 6 9.569 -3.337 -8.513 1.00 0.00 N ATOM 140 CZ ARG A 6 10.765 -2.890 -8.138 1.00 0.00 C ATOM 141 NH1 ARG A 6 10.876 -1.805 -7.396 1.00 0.00 N ATOM 142 NH2 ARG A 6 11.860 -3.525 -8.517 1.00 0.00 N ATOM 0 H ARG A 6 7.135 -1.753 -12.698 1.00 0.00 H new ATOM 0 HA ARG A 6 6.710 0.108 -10.619 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.252 -2.438 -10.601 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.927 -1.953 -10.780 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.861 -0.709 -8.693 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.131 -0.944 -8.548 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.271 -2.516 -7.084 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.478 -3.402 -8.371 1.00 0.00 H new ATOM 0 HE ARG A 6 9.538 -4.178 -9.090 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.040 -1.299 -7.104 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.798 -1.472 -7.115 1.00 0.00 H new ATOM 0 HH21 ARG A 6 11.790 -4.360 -9.099 1.00 0.00 H new ATOM 0 HH22 ARG A 6 12.775 -3.180 -8.228 1.00 0.00 H new ATOM 156 N ASN A 7 9.382 0.586 -12.375 1.00 0.00 N ATOM 157 CA ASN A 7 10.475 1.515 -12.586 1.00 0.00 C ATOM 158 C ASN A 7 9.951 2.866 -13.014 1.00 0.00 C ATOM 159 O ASN A 7 10.302 3.856 -12.416 1.00 0.00 O ATOM 160 CB ASN A 7 11.482 0.990 -13.610 1.00 0.00 C ATOM 161 CG ASN A 7 12.563 0.121 -12.981 1.00 0.00 C ATOM 162 OD1 ASN A 7 13.271 0.553 -12.072 1.00 0.00 O ATOM 163 ND2 ASN A 7 12.723 -1.095 -13.485 1.00 0.00 N ATOM 0 H ASN A 7 9.235 -0.079 -13.134 1.00 0.00 H new ATOM 0 HA ASN A 7 10.996 1.621 -11.634 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.954 0.413 -14.369 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.950 1.833 -14.118 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.453 -1.707 -13.119 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.117 -1.419 -14.239 1.00 0.00 H new ATOM 170 N CYS A 8 9.081 2.911 -14.017 1.00 0.00 N ATOM 171 CA CYS A 8 8.497 4.180 -14.463 1.00 0.00 C ATOM 172 C CYS A 8 7.798 4.886 -13.307 1.00 0.00 C ATOM 173 O CYS A 8 7.633 6.106 -13.306 1.00 0.00 O ATOM 174 CB CYS A 8 7.507 3.929 -15.598 1.00 0.00 C ATOM 175 SG CYS A 8 8.279 3.538 -17.185 1.00 0.00 S ATOM 0 H CYS A 8 8.764 2.092 -14.536 1.00 0.00 H new ATOM 0 HA CYS A 8 9.300 4.822 -14.825 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.849 3.108 -15.315 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.880 4.812 -15.720 1.00 0.00 H new ATOM 0 HG CYS A 8 8.516 2.261 -17.250 1.00 0.00 H new ATOM 181 N LEU A 9 7.430 4.098 -12.317 1.00 0.00 N ATOM 182 CA LEU A 9 6.789 4.585 -11.125 1.00 0.00 C ATOM 183 C LEU A 9 7.787 5.325 -10.244 1.00 0.00 C ATOM 184 O LEU A 9 7.599 6.495 -9.921 1.00 0.00 O ATOM 185 CB LEU A 9 6.192 3.385 -10.374 1.00 0.00 C ATOM 186 CG LEU A 9 6.070 3.521 -8.863 1.00 0.00 C ATOM 187 CD1 LEU A 9 5.046 4.574 -8.482 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.716 2.177 -8.241 1.00 0.00 C ATOM 0 H LEU A 9 7.572 3.088 -12.324 1.00 0.00 H new ATOM 0 HA LEU A 9 5.999 5.288 -11.390 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.200 3.188 -10.780 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.804 2.509 -10.589 1.00 0.00 H new ATOM 0 HG LEU A 9 7.035 3.845 -8.474 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.984 4.645 -7.396 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.346 5.538 -8.892 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.072 4.296 -8.883 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.632 2.287 -7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.766 1.828 -8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.497 1.452 -8.472 1.00 0.00 H new ATOM 200 N LEU A 10 8.845 4.626 -9.853 1.00 0.00 N ATOM 201 CA LEU A 10 9.867 5.199 -8.981 1.00 0.00 C ATOM 202 C LEU A 10 10.841 6.123 -9.739 1.00 0.00 C ATOM 203 O LEU A 10 11.430 7.030 -9.151 1.00 0.00 O ATOM 204 CB LEU A 10 10.644 4.057 -8.335 1.00 0.00 C ATOM 205 CG LEU A 10 9.926 3.314 -7.215 1.00 0.00 C ATOM 206 CD1 LEU A 10 10.630 1.998 -6.927 1.00 0.00 C ATOM 207 CD2 LEU A 10 9.863 4.169 -5.964 1.00 0.00 C ATOM 0 H LEU A 10 9.020 3.659 -10.126 1.00 0.00 H new ATOM 0 HA LEU A 10 9.368 5.811 -8.230 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.908 3.338 -9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.578 4.457 -7.940 1.00 0.00 H new ATOM 0 HG LEU A 10 8.906 3.102 -7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.109 1.475 -6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.628 1.380 -7.825 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.659 2.194 -6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.347 3.622 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.874 4.410 -5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.322 5.091 -6.180 1.00 0.00 H new ATOM 219 N GLN A 11 11.011 5.858 -11.034 1.00 0.00 N ATOM 220 CA GLN A 11 11.919 6.620 -11.901 1.00 0.00 C ATOM 221 C GLN A 11 11.513 8.080 -11.961 1.00 0.00 C ATOM 222 O GLN A 11 12.360 8.971 -11.944 1.00 0.00 O ATOM 223 CB GLN A 11 11.924 6.026 -13.312 1.00 0.00 C ATOM 224 CG GLN A 11 12.889 6.689 -14.282 1.00 0.00 C ATOM 225 CD GLN A 11 12.850 6.049 -15.659 1.00 0.00 C ATOM 226 OE1 GLN A 11 13.576 6.453 -16.566 1.00 0.00 O ATOM 227 NE2 GLN A 11 11.994 5.048 -15.824 1.00 0.00 N ATOM 0 H GLN A 11 10.521 5.105 -11.517 1.00 0.00 H new ATOM 0 HA GLN A 11 12.922 6.557 -11.480 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.171 4.967 -13.244 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.916 6.093 -13.722 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.644 7.748 -14.368 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.902 6.627 -13.883 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.410 4.743 -15.046 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.921 4.584 -16.729 1.00 0.00 H new ATOM 236 N HIS A 12 10.208 8.326 -11.989 1.00 0.00 N ATOM 237 CA HIS A 12 9.690 9.688 -12.002 1.00 0.00 C ATOM 238 C HIS A 12 9.653 10.205 -10.576 1.00 0.00 C ATOM 239 O HIS A 12 8.700 10.836 -10.147 1.00 0.00 O ATOM 240 CB HIS A 12 8.312 9.747 -12.672 1.00 0.00 C ATOM 241 CG HIS A 12 8.379 9.557 -14.155 1.00 0.00 C ATOM 242 ND1 HIS A 12 9.002 10.450 -14.998 1.00 0.00 N ATOM 243 CD2 HIS A 12 7.911 8.566 -14.944 1.00 0.00 C ATOM 244 CE1 HIS A 12 8.911 10.018 -16.237 1.00 0.00 C ATOM 245 NE2 HIS A 12 8.260 8.872 -16.233 1.00 0.00 N ATOM 0 H HIS A 12 9.491 7.601 -12.003 1.00 0.00 H new ATOM 0 HA HIS A 12 10.345 10.329 -12.592 1.00 0.00 H new ATOM 0 HB2 HIS A 12 7.670 8.979 -12.241 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.848 10.709 -12.454 1.00 0.00 H new ATOM 0 HD2 HIS A 12 7.363 7.694 -14.619 1.00 0.00 H new ATOM 0 HE1 HIS A 12 9.303 10.518 -17.110 1.00 0.00 H new ATOM 0 HE2 HIS A 12 8.050 8.306 -17.055 1.00 0.00 H new ATOM 254 N ARG A 13 10.737 9.896 -9.873 1.00 0.00 N ATOM 255 CA ARG A 13 10.976 10.260 -8.478 1.00 0.00 C ATOM 256 C ARG A 13 10.701 11.740 -8.227 1.00 0.00 C ATOM 257 O ARG A 13 10.142 12.105 -7.195 1.00 0.00 O ATOM 258 CB ARG A 13 12.434 9.937 -8.119 1.00 0.00 C ATOM 259 CG ARG A 13 12.660 9.423 -6.698 1.00 0.00 C ATOM 260 CD ARG A 13 12.214 10.421 -5.636 1.00 0.00 C ATOM 261 NE ARG A 13 12.779 11.750 -5.845 1.00 0.00 N ATOM 262 CZ ARG A 13 12.518 12.798 -5.069 1.00 0.00 C ATOM 263 NH1 ARG A 13 11.878 12.640 -3.920 1.00 0.00 N ATOM 264 NH2 ARG A 13 12.921 14.001 -5.432 1.00 0.00 N ATOM 0 H ARG A 13 11.507 9.362 -10.276 1.00 0.00 H new ATOM 0 HA ARG A 13 10.294 9.685 -7.851 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.807 9.191 -8.821 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.033 10.836 -8.262 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.117 8.488 -6.563 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.718 9.200 -6.560 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.126 10.488 -5.639 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.508 10.055 -4.652 1.00 0.00 H new ATOM 0 HE ARG A 13 13.412 11.883 -6.634 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.582 11.710 -3.625 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.682 13.449 -3.330 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.432 14.126 -6.306 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.722 14.806 -4.838 1.00 0.00 H new ATOM 278 N GLU A 14 11.082 12.587 -9.175 1.00 0.00 N ATOM 279 CA GLU A 14 10.859 14.023 -9.046 1.00 0.00 C ATOM 280 C GLU A 14 9.368 14.327 -8.914 1.00 0.00 C ATOM 281 O GLU A 14 8.978 15.365 -8.371 1.00 0.00 O ATOM 282 CB GLU A 14 11.472 14.769 -10.230 1.00 0.00 C ATOM 283 CG GLU A 14 12.823 15.415 -9.924 1.00 0.00 C ATOM 284 CD GLU A 14 13.792 14.490 -9.206 1.00 0.00 C ATOM 285 OE1 GLU A 14 13.651 14.296 -7.979 1.00 0.00 O ATOM 286 OE2 GLU A 14 14.699 13.944 -9.866 1.00 0.00 O ATOM 0 H GLU A 14 11.545 12.307 -10.039 1.00 0.00 H new ATOM 0 HA GLU A 14 11.352 14.370 -8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.593 14.074 -11.061 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.777 15.542 -10.559 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.276 15.748 -10.857 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.661 16.303 -9.313 1.00 0.00 H new ATOM 293 N ALA A 15 8.538 13.394 -9.365 1.00 0.00 N ATOM 294 CA ALA A 15 7.097 13.538 -9.251 1.00 0.00 C ATOM 295 C ALA A 15 6.557 12.521 -8.237 1.00 0.00 C ATOM 296 O ALA A 15 5.455 12.669 -7.720 1.00 0.00 O ATOM 297 CB ALA A 15 6.440 13.360 -10.611 1.00 0.00 C ATOM 0 H ALA A 15 8.842 12.529 -9.813 1.00 0.00 H new ATOM 0 HA ALA A 15 6.860 14.541 -8.895 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.360 13.470 -10.511 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.820 14.115 -11.300 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.669 12.367 -10.998 1.00 0.00 H new ATOM 303 N LEU A 16 7.362 11.492 -7.970 1.00 0.00 N ATOM 304 CA LEU A 16 7.020 10.423 -7.027 1.00 0.00 C ATOM 305 C LEU A 16 6.593 10.976 -5.665 1.00 0.00 C ATOM 306 O LEU A 16 5.413 11.134 -5.400 1.00 0.00 O ATOM 307 CB LEU A 16 8.215 9.485 -6.844 1.00 0.00 C ATOM 308 CG LEU A 16 7.937 8.227 -6.024 1.00 0.00 C ATOM 309 CD1 LEU A 16 7.706 7.034 -6.931 1.00 0.00 C ATOM 310 CD2 LEU A 16 9.073 7.943 -5.060 1.00 0.00 C ATOM 0 H LEU A 16 8.277 11.375 -8.405 1.00 0.00 H new ATOM 0 HA LEU A 16 6.176 9.875 -7.447 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.575 9.185 -7.828 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.022 10.040 -6.365 1.00 0.00 H new ATOM 0 HG LEU A 16 7.031 8.402 -5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.510 6.149 -6.325 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.850 7.229 -7.577 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.592 6.866 -7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.849 7.042 -4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.997 7.798 -5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.190 8.785 -4.378 1.00 0.00 H new ATOM 322 N GLU A 17 7.555 11.254 -4.796 1.00 0.00 N ATOM 323 CA GLU A 17 7.249 11.761 -3.453 1.00 0.00 C ATOM 324 C GLU A 17 6.576 13.142 -3.495 1.00 0.00 C ATOM 325 O GLU A 17 6.126 13.653 -2.470 1.00 0.00 O ATOM 326 CB GLU A 17 8.530 11.816 -2.613 1.00 0.00 C ATOM 327 CG GLU A 17 8.275 11.890 -1.111 1.00 0.00 C ATOM 328 CD GLU A 17 9.548 11.972 -0.285 1.00 0.00 C ATOM 329 OE1 GLU A 17 10.376 11.042 -0.356 1.00 0.00 O ATOM 330 OE2 GLU A 17 9.717 12.965 0.453 1.00 0.00 O ATOM 0 H GLU A 17 8.550 11.140 -4.989 1.00 0.00 H new ATOM 0 HA GLU A 17 6.541 11.073 -2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.133 10.933 -2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.116 12.684 -2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.656 12.761 -0.898 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.707 11.012 -0.803 1.00 0.00 H new ATOM 337 N LYS A 18 6.501 13.740 -4.675 1.00 0.00 N ATOM 338 CA LYS A 18 5.883 15.047 -4.828 1.00 0.00 C ATOM 339 C LYS A 18 4.362 14.928 -5.004 1.00 0.00 C ATOM 340 O LYS A 18 3.602 15.687 -4.395 1.00 0.00 O ATOM 341 CB LYS A 18 6.490 15.780 -6.026 1.00 0.00 C ATOM 342 CG LYS A 18 5.996 17.210 -6.172 1.00 0.00 C ATOM 343 CD LYS A 18 6.556 17.884 -7.405 1.00 0.00 C ATOM 344 CE LYS A 18 6.056 19.316 -7.531 1.00 0.00 C ATOM 345 NZ LYS A 18 6.555 19.970 -8.765 1.00 0.00 N ATOM 0 H LYS A 18 6.861 13.339 -5.541 1.00 0.00 H new ATOM 0 HA LYS A 18 6.076 15.617 -3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.575 15.787 -5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.257 15.228 -6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.907 17.213 -6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.277 17.782 -5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.645 17.880 -7.361 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.271 17.318 -8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.966 19.321 -7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.376 19.890 -6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.192 20.943 -8.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.595 19.989 -8.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.229 19.437 -9.596 1.00 0.00 H new ATOM 359 N ASP A 19 3.920 13.999 -5.848 1.00 0.00 N ATOM 360 CA ASP A 19 2.487 13.831 -6.096 1.00 0.00 C ATOM 361 C ASP A 19 1.934 12.537 -5.509 1.00 0.00 C ATOM 362 O ASP A 19 0.737 12.451 -5.228 1.00 0.00 O ATOM 363 CB ASP A 19 2.177 13.915 -7.592 1.00 0.00 C ATOM 364 CG ASP A 19 2.203 15.340 -8.106 1.00 0.00 C ATOM 365 OD1 ASP A 19 3.305 15.903 -8.283 1.00 0.00 O ATOM 366 OD2 ASP A 19 1.119 15.920 -8.306 1.00 0.00 O ATOM 0 H ASP A 19 4.522 13.359 -6.366 1.00 0.00 H new ATOM 0 HA ASP A 19 1.987 14.653 -5.584 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.902 13.318 -8.145 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.196 13.480 -7.782 1.00 0.00 H new ATOM 371 N ILE A 20 2.789 11.549 -5.301 1.00 0.00 N ATOM 372 CA ILE A 20 2.359 10.285 -4.711 1.00 0.00 C ATOM 373 C ILE A 20 2.061 10.509 -3.233 1.00 0.00 C ATOM 374 O ILE A 20 2.943 10.418 -2.379 1.00 0.00 O ATOM 375 CB ILE A 20 3.419 9.163 -4.863 1.00 0.00 C ATOM 376 CG1 ILE A 20 3.640 8.797 -6.328 1.00 0.00 C ATOM 377 CG2 ILE A 20 3.033 7.904 -4.099 1.00 0.00 C ATOM 378 CD1 ILE A 20 4.513 7.573 -6.489 1.00 0.00 C ATOM 0 H ILE A 20 3.782 11.594 -5.530 1.00 0.00 H new ATOM 0 HA ILE A 20 1.467 9.955 -5.244 1.00 0.00 H new ATOM 0 HB ILE A 20 4.342 9.563 -4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.676 8.618 -6.805 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.100 9.639 -6.845 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.804 7.146 -4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.935 8.137 -3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.083 7.526 -4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.640 7.354 -7.549 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.487 7.759 -6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.042 6.722 -5.997 1.00 0.00 H new ATOM 390 N LYS A 21 0.816 10.841 -2.958 1.00 0.00 N ATOM 391 CA LYS A 21 0.367 11.114 -1.609 1.00 0.00 C ATOM 392 C LYS A 21 -0.257 9.859 -1.013 1.00 0.00 C ATOM 393 O LYS A 21 -0.767 9.016 -1.744 1.00 0.00 O ATOM 394 CB LYS A 21 -0.644 12.266 -1.639 1.00 0.00 C ATOM 395 CG LYS A 21 -0.296 13.413 -0.701 1.00 0.00 C ATOM 396 CD LYS A 21 -0.652 14.763 -1.307 1.00 0.00 C ATOM 397 CE LYS A 21 0.263 15.103 -2.475 1.00 0.00 C ATOM 398 NZ LYS A 21 -0.095 16.399 -3.111 1.00 0.00 N ATOM 0 H LYS A 21 0.086 10.929 -3.665 1.00 0.00 H new ATOM 0 HA LYS A 21 1.212 11.405 -0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.714 12.650 -2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.629 11.880 -1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.827 13.286 0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.769 13.386 -0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.688 14.750 -1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.575 15.538 -0.544 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.295 15.144 -2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.210 14.308 -3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.712 16.748 -3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.914 16.264 -3.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.334 17.093 -2.374 1.00 0.00 H new ATOM 412 N THR A 22 -0.208 9.726 0.301 1.00 0.00 N ATOM 413 CA THR A 22 -0.777 8.557 0.954 1.00 0.00 C ATOM 414 C THR A 22 -2.251 8.813 1.319 1.00 0.00 C ATOM 415 O THR A 22 -3.103 8.767 0.439 1.00 0.00 O ATOM 416 CB THR A 22 0.074 8.141 2.188 1.00 0.00 C ATOM 417 OG1 THR A 22 -0.619 7.177 2.987 1.00 0.00 O ATOM 418 CG2 THR A 22 0.452 9.345 3.053 1.00 0.00 C ATOM 0 H THR A 22 0.215 10.405 0.933 1.00 0.00 H new ATOM 0 HA THR A 22 -0.754 7.718 0.259 1.00 0.00 H new ATOM 0 HB THR A 22 0.991 7.696 1.802 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.064 6.929 3.756 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.046 9.010 3.904 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.034 10.051 2.460 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.454 9.833 3.413 1.00 0.00 H new ATOM 426 N SER A 23 -2.515 9.107 2.593 1.00 0.00 N ATOM 427 CA SER A 23 -3.848 9.413 3.129 1.00 0.00 C ATOM 428 C SER A 23 -5.027 8.797 2.346 1.00 0.00 C ATOM 429 O SER A 23 -5.469 7.685 2.646 1.00 0.00 O ATOM 430 CB SER A 23 -4.012 10.927 3.228 1.00 0.00 C ATOM 431 OG SER A 23 -2.963 11.500 3.997 1.00 0.00 O ATOM 0 H SER A 23 -1.786 9.141 3.305 1.00 0.00 H new ATOM 0 HA SER A 23 -3.892 8.944 4.112 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.016 11.363 2.229 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.974 11.164 3.683 1.00 0.00 H new ATOM 0 HG SER A 23 -3.086 12.471 4.046 1.00 0.00 H new ATOM 437 N TYR A 24 -5.550 9.539 1.371 1.00 0.00 N ATOM 438 CA TYR A 24 -6.700 9.098 0.574 1.00 0.00 C ATOM 439 C TYR A 24 -6.356 7.971 -0.393 1.00 0.00 C ATOM 440 O TYR A 24 -7.085 6.988 -0.481 1.00 0.00 O ATOM 441 CB TYR A 24 -7.272 10.275 -0.198 1.00 0.00 C ATOM 442 CG TYR A 24 -8.063 11.252 0.648 1.00 0.00 C ATOM 443 CD1 TYR A 24 -7.447 12.002 1.642 1.00 0.00 C ATOM 444 CD2 TYR A 24 -9.429 11.418 0.452 1.00 0.00 C ATOM 445 CE1 TYR A 24 -8.162 12.893 2.413 1.00 0.00 C ATOM 446 CE2 TYR A 24 -10.150 12.308 1.222 1.00 0.00 C ATOM 447 CZ TYR A 24 -9.510 13.040 2.203 1.00 0.00 C ATOM 448 OH TYR A 24 -10.226 13.935 2.970 1.00 0.00 O ATOM 0 H TYR A 24 -5.193 10.458 1.110 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.439 8.706 1.273 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.454 10.810 -0.680 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.916 9.895 -0.991 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.387 11.885 1.814 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.932 10.844 -0.312 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.665 13.472 3.177 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.210 12.432 1.058 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.167 13.921 2.696 1.00 0.00 H new ATOM 458 N ILE A 25 -5.248 8.110 -1.107 1.00 0.00 N ATOM 459 CA ILE A 25 -4.814 7.085 -2.058 1.00 0.00 C ATOM 460 C ILE A 25 -4.640 5.757 -1.337 1.00 0.00 C ATOM 461 O ILE A 25 -5.040 4.699 -1.823 1.00 0.00 O ATOM 462 CB ILE A 25 -3.495 7.497 -2.747 1.00 0.00 C ATOM 463 CG1 ILE A 25 -3.741 8.729 -3.626 1.00 0.00 C ATOM 464 CG2 ILE A 25 -2.923 6.353 -3.576 1.00 0.00 C ATOM 465 CD1 ILE A 25 -2.515 9.210 -4.365 1.00 0.00 C ATOM 0 H ILE A 25 -4.631 8.920 -1.049 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.578 6.978 -2.828 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.762 7.742 -1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.521 8.496 -4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.118 9.539 -3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.995 6.675 -4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.724 5.499 -2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.641 6.066 -4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.771 10.084 -4.964 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.739 9.477 -3.648 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.149 8.417 -5.017 1.00 0.00 H new ATOM 477 N MET A 26 -4.078 5.849 -0.149 1.00 0.00 N ATOM 478 CA MET A 26 -3.856 4.702 0.713 1.00 0.00 C ATOM 479 C MET A 26 -5.175 4.192 1.274 1.00 0.00 C ATOM 480 O MET A 26 -5.311 3.010 1.570 1.00 0.00 O ATOM 481 CB MET A 26 -2.928 5.118 1.861 1.00 0.00 C ATOM 482 CG MET A 26 -2.907 4.173 3.044 1.00 0.00 C ATOM 483 SD MET A 26 -2.215 4.951 4.521 1.00 0.00 S ATOM 484 CE MET A 26 -2.433 3.650 5.725 1.00 0.00 C ATOM 0 H MET A 26 -3.758 6.731 0.251 1.00 0.00 H new ATOM 0 HA MET A 26 -3.398 3.900 0.135 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.914 5.211 1.472 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.228 6.106 2.210 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.921 3.833 3.255 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.321 3.289 2.792 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.813 3.855 6.598 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.480 3.604 6.026 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.139 2.696 5.287 1.00 0.00 H new ATOM 494 N ASP A 27 -6.156 5.078 1.409 1.00 0.00 N ATOM 495 CA ASP A 27 -7.457 4.681 1.942 1.00 0.00 C ATOM 496 C ASP A 27 -8.183 3.805 0.939 1.00 0.00 C ATOM 497 O ASP A 27 -8.852 2.835 1.295 1.00 0.00 O ATOM 498 CB ASP A 27 -8.296 5.914 2.272 1.00 0.00 C ATOM 499 CG ASP A 27 -9.474 5.593 3.164 1.00 0.00 C ATOM 500 OD1 ASP A 27 -9.243 5.116 4.293 1.00 0.00 O ATOM 501 OD2 ASP A 27 -10.622 5.823 2.748 1.00 0.00 O ATOM 0 H ASP A 27 -6.079 6.064 1.161 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.301 4.113 2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.666 6.657 2.761 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.657 6.362 1.346 1.00 0.00 H new ATOM 506 N HIS A 28 -8.009 4.141 -0.327 1.00 0.00 N ATOM 507 CA HIS A 28 -8.612 3.385 -1.413 1.00 0.00 C ATOM 508 C HIS A 28 -7.937 2.022 -1.554 1.00 0.00 C ATOM 509 O HIS A 28 -8.580 1.045 -1.912 1.00 0.00 O ATOM 510 CB HIS A 28 -8.509 4.163 -2.726 1.00 0.00 C ATOM 511 CG HIS A 28 -9.315 5.422 -2.738 1.00 0.00 C ATOM 512 ND1 HIS A 28 -10.691 5.438 -2.698 1.00 0.00 N ATOM 513 CD2 HIS A 28 -8.931 6.716 -2.767 1.00 0.00 C ATOM 514 CE1 HIS A 28 -11.113 6.685 -2.703 1.00 0.00 C ATOM 515 NE2 HIS A 28 -10.064 7.477 -2.741 1.00 0.00 N ATOM 0 H HIS A 28 -7.451 4.939 -0.631 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.666 3.230 -1.181 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.464 4.409 -2.913 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.837 3.523 -3.545 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.915 7.081 -2.804 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.145 7.003 -2.680 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.092 8.497 -2.750 1.00 0.00 H new ATOM 524 N MET A 29 -6.637 1.967 -1.264 1.00 0.00 N ATOM 525 CA MET A 29 -5.881 0.715 -1.363 1.00 0.00 C ATOM 526 C MET A 29 -6.275 -0.283 -0.270 1.00 0.00 C ATOM 527 O MET A 29 -6.321 -1.493 -0.502 1.00 0.00 O ATOM 528 CB MET A 29 -4.382 0.994 -1.291 1.00 0.00 C ATOM 529 CG MET A 29 -3.770 1.439 -2.607 1.00 0.00 C ATOM 530 SD MET A 29 -2.029 0.996 -2.745 1.00 0.00 S ATOM 531 CE MET A 29 -2.145 -0.725 -3.241 1.00 0.00 C ATOM 0 H MET A 29 -6.086 2.770 -0.960 1.00 0.00 H new ATOM 0 HA MET A 29 -6.124 0.267 -2.326 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.202 1.764 -0.540 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.872 0.093 -0.952 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.322 0.988 -3.431 1.00 0.00 H new ATOM 0 HG3 MET A 29 -3.875 2.519 -2.706 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.185 -1.055 -3.637 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.411 -1.335 -2.378 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.910 -0.831 -4.010 1.00 0.00 H new ATOM 541 N ILE A 30 -6.554 0.225 0.925 1.00 0.00 N ATOM 542 CA ILE A 30 -6.941 -0.626 2.048 1.00 0.00 C ATOM 543 C ILE A 30 -8.398 -1.036 1.912 1.00 0.00 C ATOM 544 O ILE A 30 -8.752 -2.188 2.155 1.00 0.00 O ATOM 545 CB ILE A 30 -6.772 0.088 3.393 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.415 0.784 3.481 1.00 0.00 C ATOM 547 CG2 ILE A 30 -6.925 -0.899 4.551 1.00 0.00 C ATOM 548 CD1 ILE A 30 -5.261 1.647 4.711 1.00 0.00 C ATOM 0 H ILE A 30 -6.520 1.221 1.143 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.287 -1.498 2.026 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.554 0.844 3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.628 0.030 3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.273 1.401 2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.801 -0.372 5.497 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.916 -1.352 4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.167 -1.678 4.468 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.274 2.111 4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.027 2.423 4.709 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.371 1.031 5.604 1.00 0.00 H new ATOM 560 N SER A 31 -9.241 -0.082 1.510 1.00 0.00 N ATOM 561 CA SER A 31 -10.664 -0.347 1.326 1.00 0.00 C ATOM 562 C SER A 31 -10.854 -1.324 0.168 1.00 0.00 C ATOM 563 O SER A 31 -11.849 -2.047 0.101 1.00 0.00 O ATOM 564 CB SER A 31 -11.433 0.953 1.075 1.00 0.00 C ATOM 565 OG SER A 31 -12.812 0.798 1.378 1.00 0.00 O ATOM 0 H SER A 31 -8.961 0.878 1.307 1.00 0.00 H new ATOM 0 HA SER A 31 -11.063 -0.794 2.237 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.011 1.752 1.685 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.318 1.252 0.033 1.00 0.00 H new ATOM 0 HG SER A 31 -13.281 1.642 1.211 1.00 0.00 H new ATOM 571 N ASP A 32 -9.861 -1.368 -0.720 1.00 0.00 N ATOM 572 CA ASP A 32 -9.887 -2.287 -1.842 1.00 0.00 C ATOM 573 C ASP A 32 -9.579 -3.684 -1.316 1.00 0.00 C ATOM 574 O ASP A 32 -10.053 -4.691 -1.851 1.00 0.00 O ATOM 575 CB ASP A 32 -8.860 -1.870 -2.904 1.00 0.00 C ATOM 576 CG ASP A 32 -9.084 -2.539 -4.246 1.00 0.00 C ATOM 577 OD1 ASP A 32 -10.035 -3.339 -4.368 1.00 0.00 O ATOM 578 OD2 ASP A 32 -8.316 -2.258 -5.194 1.00 0.00 O ATOM 0 H ASP A 32 -9.032 -0.776 -0.678 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.870 -2.274 -2.314 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.899 -0.788 -3.033 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.859 -2.112 -2.547 1.00 0.00 H new ATOM 583 N GLY A 33 -8.811 -3.733 -0.224 1.00 0.00 N ATOM 584 CA GLY A 33 -8.483 -5.004 0.389 1.00 0.00 C ATOM 585 C GLY A 33 -7.078 -5.476 0.073 1.00 0.00 C ATOM 586 O GLY A 33 -6.665 -6.545 0.518 1.00 0.00 O ATOM 0 H GLY A 33 -8.415 -2.916 0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.596 -4.918 1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.196 -5.757 0.053 1.00 0.00 H new ATOM 590 N PHE A 34 -6.337 -4.685 -0.700 1.00 0.00 N ATOM 591 CA PHE A 34 -4.973 -5.050 -1.066 1.00 0.00 C ATOM 592 C PHE A 34 -4.000 -4.715 0.056 1.00 0.00 C ATOM 593 O PHE A 34 -2.931 -5.311 0.169 1.00 0.00 O ATOM 594 CB PHE A 34 -4.558 -4.380 -2.376 1.00 0.00 C ATOM 595 CG PHE A 34 -5.218 -4.997 -3.582 1.00 0.00 C ATOM 596 CD1 PHE A 34 -6.579 -4.870 -3.796 1.00 0.00 C ATOM 597 CD2 PHE A 34 -4.469 -5.726 -4.492 1.00 0.00 C ATOM 598 CE1 PHE A 34 -7.178 -5.456 -4.894 1.00 0.00 C ATOM 599 CE2 PHE A 34 -5.061 -6.311 -5.592 1.00 0.00 C ATOM 600 CZ PHE A 34 -6.421 -6.177 -5.793 1.00 0.00 C ATOM 0 H PHE A 34 -6.656 -3.795 -1.082 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.944 -6.128 -1.222 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.809 -3.320 -2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.476 -4.447 -2.486 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.179 -4.307 -3.097 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.406 -5.838 -4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.242 -5.349 -5.049 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.463 -6.872 -6.294 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.890 -6.635 -6.651 1.00 0.00 H new ATOM 610 N LEU A 35 -4.394 -3.786 0.913 1.00 0.00 N ATOM 611 CA LEU A 35 -3.572 -3.417 2.050 1.00 0.00 C ATOM 612 C LEU A 35 -4.247 -3.895 3.324 1.00 0.00 C ATOM 613 O LEU A 35 -5.455 -3.740 3.487 1.00 0.00 O ATOM 614 CB LEU A 35 -3.323 -1.912 2.103 1.00 0.00 C ATOM 615 CG LEU A 35 -2.516 -1.346 0.943 1.00 0.00 C ATOM 616 CD1 LEU A 35 -2.198 0.118 1.191 1.00 0.00 C ATOM 617 CD2 LEU A 35 -1.238 -2.140 0.740 1.00 0.00 C ATOM 0 H LEU A 35 -5.275 -3.277 0.842 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.598 -3.896 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.286 -1.402 2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.805 -1.678 3.033 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.114 -1.425 0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.621 0.512 0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.127 0.681 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.618 0.214 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.676 -1.719 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.633 -2.093 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.486 -3.179 0.522 1.00 0.00 H new ATOM 629 N THR A 36 -3.474 -4.492 4.208 1.00 0.00 N ATOM 630 CA THR A 36 -4.010 -5.013 5.453 1.00 0.00 C ATOM 631 C THR A 36 -3.829 -4.015 6.589 1.00 0.00 C ATOM 632 O THR A 36 -3.167 -2.989 6.420 1.00 0.00 O ATOM 633 CB THR A 36 -3.329 -6.343 5.825 1.00 0.00 C ATOM 634 OG1 THR A 36 -1.908 -6.218 5.685 1.00 0.00 O ATOM 635 CG2 THR A 36 -3.827 -7.468 4.932 1.00 0.00 C ATOM 0 H THR A 36 -2.470 -4.630 4.089 1.00 0.00 H new ATOM 0 HA THR A 36 -5.076 -5.185 5.304 1.00 0.00 H new ATOM 0 HB THR A 36 -3.576 -6.579 6.860 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.488 -6.247 6.570 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.334 -8.399 5.211 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.905 -7.578 5.052 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.600 -7.234 3.892 1.00 0.00 H new ATOM 643 N ILE A 37 -4.415 -4.325 7.738 1.00 0.00 N ATOM 644 CA ILE A 37 -4.321 -3.461 8.910 1.00 0.00 C ATOM 645 C ILE A 37 -2.863 -3.232 9.303 1.00 0.00 C ATOM 646 O ILE A 37 -2.496 -2.148 9.748 1.00 0.00 O ATOM 647 CB ILE A 37 -5.104 -4.045 10.113 1.00 0.00 C ATOM 648 CG1 ILE A 37 -6.592 -4.150 9.764 1.00 0.00 C ATOM 649 CG2 ILE A 37 -4.907 -3.182 11.358 1.00 0.00 C ATOM 650 CD1 ILE A 37 -7.439 -4.750 10.866 1.00 0.00 C ATOM 0 H ILE A 37 -4.963 -5.172 7.885 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.770 -2.505 8.641 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.719 -5.042 10.329 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.971 -3.156 9.528 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.702 -4.755 8.864 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.466 -3.611 12.190 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.848 -3.146 11.612 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.267 -2.172 11.161 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.479 -4.791 10.544 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.088 -5.758 11.087 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.361 -4.134 11.762 1.00 0.00 H new ATOM 662 N SER A 38 -2.029 -4.247 9.106 1.00 0.00 N ATOM 663 CA SER A 38 -0.608 -4.142 9.417 1.00 0.00 C ATOM 664 C SER A 38 0.075 -3.155 8.467 1.00 0.00 C ATOM 665 O SER A 38 0.963 -2.395 8.867 1.00 0.00 O ATOM 666 CB SER A 38 0.044 -5.523 9.325 1.00 0.00 C ATOM 667 OG SER A 38 -0.571 -6.301 8.311 1.00 0.00 O ATOM 0 H SER A 38 -2.313 -5.153 8.732 1.00 0.00 H new ATOM 0 HA SER A 38 -0.492 -3.767 10.434 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.108 -5.415 9.113 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.039 -6.035 10.284 1.00 0.00 H new ATOM 0 HG SER A 38 -0.140 -7.180 8.266 1.00 0.00 H new ATOM 673 N GLU A 39 -0.374 -3.141 7.210 1.00 0.00 N ATOM 674 CA GLU A 39 0.162 -2.220 6.213 1.00 0.00 C ATOM 675 C GLU A 39 -0.298 -0.803 6.545 1.00 0.00 C ATOM 676 O GLU A 39 0.487 0.145 6.534 1.00 0.00 O ATOM 677 CB GLU A 39 -0.313 -2.603 4.807 1.00 0.00 C ATOM 678 CG GLU A 39 0.091 -4.007 4.380 1.00 0.00 C ATOM 679 CD GLU A 39 1.579 -4.155 4.128 1.00 0.00 C ATOM 680 OE1 GLU A 39 2.382 -3.806 5.014 1.00 0.00 O ATOM 681 OE2 GLU A 39 1.956 -4.656 3.048 1.00 0.00 O ATOM 0 H GLU A 39 -1.107 -3.758 6.861 1.00 0.00 H new ATOM 0 HA GLU A 39 1.251 -2.273 6.231 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.399 -2.520 4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.089 -1.886 4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.211 -4.715 5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.452 -4.273 3.473 1.00 0.00 H new ATOM 688 N GLU A 40 -1.584 -0.705 6.866 1.00 0.00 N ATOM 689 CA GLU A 40 -2.237 0.546 7.238 1.00 0.00 C ATOM 690 C GLU A 40 -1.553 1.184 8.442 1.00 0.00 C ATOM 691 O GLU A 40 -1.199 2.364 8.420 1.00 0.00 O ATOM 692 CB GLU A 40 -3.705 0.247 7.572 1.00 0.00 C ATOM 693 CG GLU A 40 -4.480 1.409 8.175 1.00 0.00 C ATOM 694 CD GLU A 40 -5.766 0.956 8.837 1.00 0.00 C ATOM 695 OE1 GLU A 40 -5.954 -0.267 9.003 1.00 0.00 O ATOM 696 OE2 GLU A 40 -6.586 1.813 9.224 1.00 0.00 O ATOM 0 H GLU A 40 -2.214 -1.508 6.875 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.170 1.247 6.406 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.211 -0.073 6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.740 -0.592 8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.855 1.919 8.909 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.711 2.134 7.394 1.00 0.00 H new ATOM 703 N GLU A 41 -1.387 0.387 9.485 1.00 0.00 N ATOM 704 CA GLU A 41 -0.769 0.832 10.717 1.00 0.00 C ATOM 705 C GLU A 41 0.596 1.474 10.471 1.00 0.00 C ATOM 706 O GLU A 41 0.817 2.604 10.872 1.00 0.00 O ATOM 707 CB GLU A 41 -0.661 -0.354 11.686 1.00 0.00 C ATOM 708 CG GLU A 41 -0.100 -0.009 13.056 1.00 0.00 C ATOM 709 CD GLU A 41 1.406 -0.165 13.125 1.00 0.00 C ATOM 710 OE1 GLU A 41 1.909 -1.245 12.752 1.00 0.00 O ATOM 711 OE2 GLU A 41 2.092 0.778 13.559 1.00 0.00 O ATOM 0 H GLU A 41 -1.679 -0.590 9.498 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.397 1.604 11.162 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.651 -0.792 11.814 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.030 -1.119 11.233 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.367 1.018 13.306 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.563 -0.650 13.806 1.00 0.00 H new ATOM 718 N LYS A 42 1.508 0.750 9.834 1.00 0.00 N ATOM 719 CA LYS A 42 2.858 1.265 9.592 1.00 0.00 C ATOM 720 C LYS A 42 2.893 2.521 8.716 1.00 0.00 C ATOM 721 O LYS A 42 3.525 3.504 9.094 1.00 0.00 O ATOM 722 CB LYS A 42 3.755 0.177 8.998 1.00 0.00 C ATOM 723 CG LYS A 42 5.224 0.564 8.965 1.00 0.00 C ATOM 724 CD LYS A 42 6.111 -0.612 8.590 1.00 0.00 C ATOM 725 CE LYS A 42 6.102 -1.685 9.664 1.00 0.00 C ATOM 726 NZ LYS A 42 6.588 -1.180 10.976 1.00 0.00 N ATOM 0 H LYS A 42 1.343 -0.191 9.476 1.00 0.00 H new ATOM 0 HA LYS A 42 3.242 1.563 10.568 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.640 -0.737 9.580 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.422 -0.046 7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.371 1.372 8.249 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.521 0.946 9.942 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.771 -1.038 7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.131 -0.263 8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.089 -2.071 9.779 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.727 -2.519 9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.821 -1.984 11.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.437 -0.598 10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.846 -0.604 11.423 1.00 0.00 H new ATOM 740 N VAL A 43 2.238 2.498 7.558 1.00 0.00 N ATOM 741 CA VAL A 43 2.237 3.659 6.655 1.00 0.00 C ATOM 742 C VAL A 43 1.773 4.929 7.371 1.00 0.00 C ATOM 743 O VAL A 43 2.353 6.000 7.197 1.00 0.00 O ATOM 744 CB VAL A 43 1.327 3.420 5.427 1.00 0.00 C ATOM 745 CG1 VAL A 43 1.319 4.633 4.505 1.00 0.00 C ATOM 746 CG2 VAL A 43 1.765 2.186 4.661 1.00 0.00 C ATOM 0 H VAL A 43 1.704 1.698 7.220 1.00 0.00 H new ATOM 0 HA VAL A 43 3.267 3.790 6.322 1.00 0.00 H new ATOM 0 HB VAL A 43 0.313 3.260 5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.671 4.436 3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.948 5.501 5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.332 4.830 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.110 2.039 3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.791 2.317 4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.709 1.314 5.313 1.00 0.00 H new ATOM 756 N ARG A 44 0.708 4.808 8.156 1.00 0.00 N ATOM 757 CA ARG A 44 0.151 5.959 8.870 1.00 0.00 C ATOM 758 C ARG A 44 0.834 6.239 10.221 1.00 0.00 C ATOM 759 O ARG A 44 0.777 7.363 10.723 1.00 0.00 O ATOM 760 CB ARG A 44 -1.353 5.752 9.065 1.00 0.00 C ATOM 761 CG ARG A 44 -2.056 6.888 9.798 1.00 0.00 C ATOM 762 CD ARG A 44 -3.549 6.634 9.904 1.00 0.00 C ATOM 763 NE ARG A 44 -3.835 5.342 10.532 1.00 0.00 N ATOM 764 CZ ARG A 44 -5.028 4.755 10.523 1.00 0.00 C ATOM 765 NH1 ARG A 44 -6.064 5.366 9.979 1.00 0.00 N ATOM 766 NH2 ARG A 44 -5.190 3.561 11.077 1.00 0.00 N ATOM 0 H ARG A 44 0.213 3.931 8.316 1.00 0.00 H new ATOM 0 HA ARG A 44 0.340 6.839 8.254 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.819 5.623 8.088 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.511 4.826 9.618 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.632 6.998 10.796 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.881 7.827 9.272 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.014 7.431 10.484 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.995 6.662 8.910 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.070 4.862 11.006 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.951 6.291 9.564 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.978 4.913 9.974 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.398 3.089 11.512 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.107 3.115 11.068 1.00 0.00 H new ATOM 780 N ASN A 45 1.449 5.233 10.829 1.00 0.00 N ATOM 781 CA ASN A 45 2.088 5.425 12.135 1.00 0.00 C ATOM 782 C ASN A 45 3.413 6.177 12.033 1.00 0.00 C ATOM 783 O ASN A 45 3.806 6.866 12.976 1.00 0.00 O ATOM 784 CB ASN A 45 2.276 4.070 12.843 1.00 0.00 C ATOM 785 CG ASN A 45 3.723 3.717 13.145 1.00 0.00 C ATOM 786 OD1 ASN A 45 4.326 4.248 14.079 1.00 0.00 O ATOM 787 ND2 ASN A 45 4.284 2.814 12.355 1.00 0.00 N ATOM 0 H ASN A 45 1.522 4.288 10.451 1.00 0.00 H new ATOM 0 HA ASN A 45 1.422 6.047 12.733 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.714 4.081 13.777 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.845 3.285 12.221 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.252 2.533 12.509 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.748 2.399 11.593 1.00 0.00 H new ATOM 794 N GLU A 46 4.103 6.044 10.905 1.00 0.00 N ATOM 795 CA GLU A 46 5.388 6.717 10.719 1.00 0.00 C ATOM 796 C GLU A 46 5.243 8.246 10.781 1.00 0.00 C ATOM 797 O GLU A 46 4.141 8.776 10.618 1.00 0.00 O ATOM 798 CB GLU A 46 6.033 6.259 9.411 1.00 0.00 C ATOM 799 CG GLU A 46 6.420 4.779 9.414 1.00 0.00 C ATOM 800 CD GLU A 46 7.504 4.430 10.436 1.00 0.00 C ATOM 801 OE1 GLU A 46 7.358 4.785 11.626 1.00 0.00 O ATOM 802 OE2 GLU A 46 8.497 3.769 10.059 1.00 0.00 O ATOM 0 H GLU A 46 3.799 5.481 10.110 1.00 0.00 H new ATOM 0 HA GLU A 46 6.046 6.436 11.541 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.342 6.445 8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.923 6.860 9.223 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.532 4.181 9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.768 4.501 8.419 1.00 0.00 H new ATOM 809 N PRO A 47 6.365 8.958 11.064 1.00 0.00 N ATOM 810 CA PRO A 47 6.440 10.416 11.221 1.00 0.00 C ATOM 811 C PRO A 47 5.413 11.237 10.436 1.00 0.00 C ATOM 812 O PRO A 47 4.322 11.523 10.929 1.00 0.00 O ATOM 813 CB PRO A 47 7.854 10.732 10.726 1.00 0.00 C ATOM 814 CG PRO A 47 8.649 9.473 10.907 1.00 0.00 C ATOM 815 CD PRO A 47 7.693 8.376 11.302 1.00 0.00 C ATOM 0 HA PRO A 47 6.219 10.690 12.253 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.841 11.038 9.680 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.291 11.554 11.293 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.168 9.213 9.984 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.411 9.610 11.674 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.848 7.478 10.705 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.822 8.091 12.346 1.00 0.00 H new ATOM 823 N THR A 48 5.777 11.632 9.231 1.00 0.00 N ATOM 824 CA THR A 48 4.923 12.444 8.385 1.00 0.00 C ATOM 825 C THR A 48 4.889 11.846 6.997 1.00 0.00 C ATOM 826 O THR A 48 5.373 10.731 6.814 1.00 0.00 O ATOM 827 CB THR A 48 5.483 13.873 8.290 1.00 0.00 C ATOM 828 OG1 THR A 48 6.876 13.797 7.953 1.00 0.00 O ATOM 829 CG2 THR A 48 5.308 14.629 9.600 1.00 0.00 C ATOM 0 H THR A 48 6.676 11.398 8.810 1.00 0.00 H new ATOM 0 HA THR A 48 3.921 12.472 8.812 1.00 0.00 H new ATOM 0 HB THR A 48 4.933 14.416 7.521 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.246 14.702 7.887 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.715 15.635 9.497 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.248 14.690 9.846 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.836 14.104 10.396 1.00 0.00 H new ATOM 837 N GLN A 49 4.371 12.596 6.017 1.00 0.00 N ATOM 838 CA GLN A 49 4.332 12.137 4.628 1.00 0.00 C ATOM 839 C GLN A 49 5.709 11.646 4.197 1.00 0.00 C ATOM 840 O GLN A 49 5.823 10.799 3.323 1.00 0.00 O ATOM 841 CB GLN A 49 3.861 13.242 3.689 1.00 0.00 C ATOM 842 CG GLN A 49 3.947 12.852 2.230 1.00 0.00 C ATOM 843 CD GLN A 49 3.746 14.024 1.309 1.00 0.00 C ATOM 844 OE1 GLN A 49 2.631 14.515 1.137 1.00 0.00 O ATOM 845 NE2 GLN A 49 4.830 14.500 0.728 1.00 0.00 N ATOM 0 H GLN A 49 3.973 13.524 6.163 1.00 0.00 H new ATOM 0 HA GLN A 49 3.619 11.315 4.570 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.830 13.502 3.930 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.462 14.135 3.857 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.920 12.402 2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.196 12.092 2.015 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.735 14.061 0.899 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.764 15.307 0.108 1.00 0.00 H new ATOM 854 N GLN A 50 6.739 12.164 4.851 1.00 0.00 N ATOM 855 CA GLN A 50 8.108 11.764 4.594 1.00 0.00 C ATOM 856 C GLN A 50 8.198 10.249 4.551 1.00 0.00 C ATOM 857 O GLN A 50 8.440 9.653 3.501 1.00 0.00 O ATOM 858 CB GLN A 50 9.008 12.317 5.707 1.00 0.00 C ATOM 859 CG GLN A 50 10.325 11.573 5.887 1.00 0.00 C ATOM 860 CD GLN A 50 10.910 11.780 7.269 1.00 0.00 C ATOM 861 OE1 GLN A 50 11.342 12.877 7.613 1.00 0.00 O ATOM 862 NE2 GLN A 50 10.923 10.728 8.077 1.00 0.00 N ATOM 0 H GLN A 50 6.645 12.875 5.576 1.00 0.00 H new ATOM 0 HA GLN A 50 8.436 12.161 3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.224 13.364 5.495 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.459 12.289 6.648 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.166 10.508 5.716 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.039 11.913 5.137 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.555 9.833 7.755 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.301 10.814 9.020 1.00 0.00 H new ATOM 871 N GLN A 51 7.968 9.633 5.695 1.00 0.00 N ATOM 872 CA GLN A 51 8.014 8.193 5.797 1.00 0.00 C ATOM 873 C GLN A 51 6.635 7.587 5.548 1.00 0.00 C ATOM 874 O GLN A 51 6.511 6.390 5.359 1.00 0.00 O ATOM 875 CB GLN A 51 8.554 7.804 7.169 1.00 0.00 C ATOM 876 CG GLN A 51 8.994 6.356 7.267 1.00 0.00 C ATOM 877 CD GLN A 51 9.998 6.146 8.376 1.00 0.00 C ATOM 878 OE1 GLN A 51 9.754 6.498 9.527 1.00 0.00 O ATOM 879 NE2 GLN A 51 11.142 5.585 8.035 1.00 0.00 N ATOM 0 H GLN A 51 7.747 10.112 6.568 1.00 0.00 H new ATOM 0 HA GLN A 51 8.681 7.797 5.032 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.399 8.448 7.412 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.785 7.991 7.918 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.124 5.723 7.441 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.431 6.044 6.318 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.305 5.307 7.067 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.863 5.429 8.739 1.00 0.00 H new ATOM 888 N ARG A 52 5.599 8.427 5.519 1.00 0.00 N ATOM 889 CA ARG A 52 4.238 7.930 5.259 1.00 0.00 C ATOM 890 C ARG A 52 4.068 7.656 3.761 1.00 0.00 C ATOM 891 O ARG A 52 3.715 6.548 3.367 1.00 0.00 O ATOM 892 CB ARG A 52 3.160 8.896 5.785 1.00 0.00 C ATOM 893 CG ARG A 52 3.061 8.916 7.310 1.00 0.00 C ATOM 894 CD ARG A 52 1.938 9.811 7.811 1.00 0.00 C ATOM 895 NE ARG A 52 1.898 9.845 9.277 1.00 0.00 N ATOM 896 CZ ARG A 52 1.012 10.538 9.989 1.00 0.00 C ATOM 897 NH1 ARG A 52 0.088 11.256 9.389 1.00 0.00 N ATOM 898 NH2 ARG A 52 1.044 10.511 11.310 1.00 0.00 N ATOM 0 H ARG A 52 5.667 9.434 5.668 1.00 0.00 H new ATOM 0 HA ARG A 52 4.103 6.996 5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.378 9.903 5.428 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.193 8.613 5.368 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.901 7.901 7.673 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.008 9.259 7.728 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.075 10.821 7.425 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.984 9.450 7.427 1.00 0.00 H new ATOM 0 HE ARG A 52 2.596 9.301 9.785 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.046 11.285 8.370 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.587 11.784 9.942 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.751 9.956 11.792 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.361 11.045 11.848 1.00 0.00 H new ATOM 912 N ALA A 53 4.382 8.644 2.925 1.00 0.00 N ATOM 913 CA ALA A 53 4.321 8.461 1.473 1.00 0.00 C ATOM 914 C ALA A 53 5.390 7.468 1.072 1.00 0.00 C ATOM 915 O ALA A 53 5.142 6.579 0.262 1.00 0.00 O ATOM 916 CB ALA A 53 4.521 9.778 0.742 1.00 0.00 C ATOM 0 H ALA A 53 4.679 9.573 3.223 1.00 0.00 H new ATOM 0 HA ALA A 53 3.335 8.085 1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.470 9.609 -0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.740 10.480 1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.496 10.192 0.998 1.00 0.00 H new ATOM 922 N ALA A 54 6.577 7.605 1.668 1.00 0.00 N ATOM 923 CA ALA A 54 7.662 6.690 1.370 1.00 0.00 C ATOM 924 C ALA A 54 7.287 5.260 1.747 1.00 0.00 C ATOM 925 O ALA A 54 7.693 4.325 1.073 1.00 0.00 O ATOM 926 CB ALA A 54 8.942 7.102 2.076 1.00 0.00 C ATOM 0 H ALA A 54 6.802 8.331 2.348 1.00 0.00 H new ATOM 0 HA ALA A 54 7.839 6.731 0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.736 6.396 1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.232 8.101 1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.778 7.105 3.154 1.00 0.00 H new ATOM 932 N MET A 55 6.506 5.085 2.818 1.00 0.00 N ATOM 933 CA MET A 55 6.096 3.758 3.242 1.00 0.00 C ATOM 934 C MET A 55 5.101 3.177 2.242 1.00 0.00 C ATOM 935 O MET A 55 5.166 2.002 1.905 1.00 0.00 O ATOM 936 CB MET A 55 5.492 3.821 4.644 1.00 0.00 C ATOM 937 CG MET A 55 5.134 2.457 5.209 1.00 0.00 C ATOM 938 SD MET A 55 6.564 1.382 5.423 1.00 0.00 S ATOM 939 CE MET A 55 7.447 2.267 6.702 1.00 0.00 C ATOM 0 H MET A 55 6.151 5.845 3.399 1.00 0.00 H new ATOM 0 HA MET A 55 6.967 3.104 3.276 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.199 4.309 5.314 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.596 4.442 4.618 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.638 2.588 6.171 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.419 1.972 4.545 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.010 1.560 7.311 1.00 0.00 H new ATOM 0 HE2 MET A 55 8.134 2.979 6.244 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.736 2.802 7.331 1.00 0.00 H new ATOM 949 N LEU A 56 4.206 4.025 1.750 1.00 0.00 N ATOM 950 CA LEU A 56 3.213 3.616 0.762 1.00 0.00 C ATOM 951 C LEU A 56 3.924 3.125 -0.501 1.00 0.00 C ATOM 952 O LEU A 56 3.690 2.009 -0.985 1.00 0.00 O ATOM 953 CB LEU A 56 2.310 4.809 0.426 1.00 0.00 C ATOM 954 CG LEU A 56 1.087 4.497 -0.439 1.00 0.00 C ATOM 955 CD1 LEU A 56 0.052 3.723 0.362 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.488 5.779 -0.987 1.00 0.00 C ATOM 0 H LEU A 56 4.147 5.007 2.021 1.00 0.00 H new ATOM 0 HA LEU A 56 2.603 2.807 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.967 5.255 1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.910 5.562 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 56 1.404 3.878 -1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.811 3.510 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.487 2.786 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.263 4.317 1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.381 5.541 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.184 6.421 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.230 6.297 -1.595 1.00 0.00 H new ATOM 968 N ILE A 57 4.813 3.976 -1.009 1.00 0.00 N ATOM 969 CA ILE A 57 5.593 3.666 -2.201 1.00 0.00 C ATOM 970 C ILE A 57 6.512 2.470 -1.933 1.00 0.00 C ATOM 971 O ILE A 57 6.774 1.664 -2.825 1.00 0.00 O ATOM 972 CB ILE A 57 6.437 4.892 -2.636 1.00 0.00 C ATOM 973 CG1 ILE A 57 5.575 6.149 -2.641 1.00 0.00 C ATOM 974 CG2 ILE A 57 7.032 4.679 -4.020 1.00 0.00 C ATOM 975 CD1 ILE A 57 6.362 7.432 -2.815 1.00 0.00 C ATOM 0 H ILE A 57 5.011 4.893 -0.608 1.00 0.00 H new ATOM 0 HA ILE A 57 4.904 3.414 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 57 7.250 5.012 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.842 6.072 -3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.018 6.200 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.619 5.553 -4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.674 3.798 -4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.229 4.533 -4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.679 8.282 -2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.076 7.534 -1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.897 7.405 -3.764 1.00 0.00 H new ATOM 987 N LYS A 58 6.983 2.356 -0.691 1.00 0.00 N ATOM 988 CA LYS A 58 7.857 1.258 -0.287 1.00 0.00 C ATOM 989 C LYS A 58 7.110 -0.070 -0.343 1.00 0.00 C ATOM 990 O LYS A 58 7.678 -1.090 -0.741 1.00 0.00 O ATOM 991 CB LYS A 58 8.419 1.510 1.114 1.00 0.00 C ATOM 992 CG LYS A 58 9.212 0.341 1.681 1.00 0.00 C ATOM 993 CD LYS A 58 10.023 0.756 2.900 1.00 0.00 C ATOM 994 CE LYS A 58 11.080 1.793 2.541 1.00 0.00 C ATOM 995 NZ LYS A 58 12.050 1.283 1.531 1.00 0.00 N ATOM 0 H LYS A 58 6.771 3.017 0.057 1.00 0.00 H new ATOM 0 HA LYS A 58 8.693 1.205 -0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.060 2.391 1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.595 1.739 1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.530 -0.465 1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.880 -0.052 0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.356 1.163 3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.504 -0.121 3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.592 2.688 2.154 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.618 2.088 3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.867 1.925 1.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.372 0.334 1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.589 1.234 0.600 1.00 0.00 H new ATOM 1009 N MET A 59 5.834 -0.053 0.032 1.00 0.00 N ATOM 1010 CA MET A 59 5.018 -1.267 -0.016 1.00 0.00 C ATOM 1011 C MET A 59 4.990 -1.805 -1.432 1.00 0.00 C ATOM 1012 O MET A 59 5.402 -2.930 -1.689 1.00 0.00 O ATOM 1013 CB MET A 59 3.569 -1.013 0.400 1.00 0.00 C ATOM 1014 CG MET A 59 3.373 -0.399 1.769 1.00 0.00 C ATOM 1015 SD MET A 59 1.621 -0.162 2.139 1.00 0.00 S ATOM 1016 CE MET A 59 1.029 0.449 0.565 1.00 0.00 C ATOM 0 H MET A 59 5.345 0.776 0.369 1.00 0.00 H new ATOM 0 HA MET A 59 5.469 -1.974 0.680 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.108 -0.359 -0.340 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.030 -1.960 0.367 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.823 -1.042 2.526 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.890 0.560 1.817 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.130 1.045 0.721 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.798 1.067 0.102 1.00 0.00 H new ATOM 0 HE3 MET A 59 0.798 -0.392 -0.088 1.00 0.00 H new ATOM 1026 N ILE A 60 4.493 -0.976 -2.344 1.00 0.00 N ATOM 1027 CA ILE A 60 4.388 -1.344 -3.757 1.00 0.00 C ATOM 1028 C ILE A 60 5.750 -1.729 -4.336 1.00 0.00 C ATOM 1029 O ILE A 60 5.841 -2.615 -5.184 1.00 0.00 O ATOM 1030 CB ILE A 60 3.738 -0.204 -4.587 1.00 0.00 C ATOM 1031 CG1 ILE A 60 2.226 -0.131 -4.328 1.00 0.00 C ATOM 1032 CG2 ILE A 60 3.993 -0.377 -6.077 1.00 0.00 C ATOM 1033 CD1 ILE A 60 1.846 0.431 -2.972 1.00 0.00 C ATOM 0 H ILE A 60 4.154 -0.038 -2.131 1.00 0.00 H new ATOM 0 HA ILE A 60 3.740 -2.218 -3.819 1.00 0.00 H new ATOM 0 HB ILE A 60 4.202 0.728 -4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.767 0.483 -5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.805 -1.132 -4.423 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.522 0.440 -6.624 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.067 -0.369 -6.266 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.573 -1.326 -6.410 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.760 0.446 -2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.272 -0.194 -2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.232 1.446 -2.877 1.00 0.00 H new ATOM 1045 N LEU A 61 6.807 -1.083 -3.857 1.00 0.00 N ATOM 1046 CA LEU A 61 8.162 -1.378 -4.315 1.00 0.00 C ATOM 1047 C LEU A 61 8.464 -2.870 -4.169 1.00 0.00 C ATOM 1048 O LEU A 61 9.172 -3.453 -4.992 1.00 0.00 O ATOM 1049 CB LEU A 61 9.177 -0.532 -3.528 1.00 0.00 C ATOM 1050 CG LEU A 61 10.616 -0.501 -4.075 1.00 0.00 C ATOM 1051 CD1 LEU A 61 11.332 0.757 -3.606 1.00 0.00 C ATOM 1052 CD2 LEU A 61 11.402 -1.727 -3.632 1.00 0.00 C ATOM 0 H LEU A 61 6.753 -0.350 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 61 8.243 -1.122 -5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.806 0.492 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.209 -0.903 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 61 10.556 -0.502 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.348 0.766 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.796 1.636 -3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.365 0.772 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.414 -1.676 -4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.446 -1.757 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.910 -2.627 -4.001 1.00 0.00 H new ATOM 1064 N LYS A 62 7.913 -3.489 -3.127 1.00 0.00 N ATOM 1065 CA LYS A 62 8.123 -4.910 -2.891 1.00 0.00 C ATOM 1066 C LYS A 62 6.807 -5.696 -2.930 1.00 0.00 C ATOM 1067 O LYS A 62 6.620 -6.652 -2.174 1.00 0.00 O ATOM 1068 CB LYS A 62 8.826 -5.127 -1.545 1.00 0.00 C ATOM 1069 CG LYS A 62 8.121 -4.446 -0.375 1.00 0.00 C ATOM 1070 CD LYS A 62 8.717 -4.844 0.966 1.00 0.00 C ATOM 1071 CE LYS A 62 10.178 -4.446 1.085 1.00 0.00 C ATOM 1072 NZ LYS A 62 10.719 -4.700 2.447 1.00 0.00 N ATOM 0 H LYS A 62 7.320 -3.028 -2.437 1.00 0.00 H new ATOM 0 HA LYS A 62 8.757 -5.285 -3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.892 -6.197 -1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.847 -4.752 -1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.187 -3.364 -0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.062 -4.704 -0.391 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.148 -4.375 1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.624 -5.922 1.098 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.765 -5.001 0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.286 -3.388 0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.718 -4.414 2.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.177 -4.151 3.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.641 -5.713 2.668 1.00 0.00 H new ATOM 1086 N LYS A 63 5.907 -5.322 -3.834 1.00 0.00 N ATOM 1087 CA LYS A 63 4.644 -6.027 -3.976 1.00 0.00 C ATOM 1088 C LYS A 63 4.489 -6.581 -5.389 1.00 0.00 C ATOM 1089 O LYS A 63 5.471 -6.726 -6.113 1.00 0.00 O ATOM 1090 CB LYS A 63 3.464 -5.131 -3.607 1.00 0.00 C ATOM 1091 CG LYS A 63 3.278 -4.990 -2.101 1.00 0.00 C ATOM 1092 CD LYS A 63 1.978 -4.285 -1.749 1.00 0.00 C ATOM 1093 CE LYS A 63 1.845 -4.070 -0.248 1.00 0.00 C ATOM 1094 NZ LYS A 63 1.817 -5.349 0.512 1.00 0.00 N ATOM 0 H LYS A 63 6.030 -4.538 -4.475 1.00 0.00 H new ATOM 0 HA LYS A 63 4.650 -6.867 -3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.613 -4.144 -4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.553 -5.539 -4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.290 -5.978 -1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.117 -4.433 -1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.935 -3.323 -2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.135 -4.875 -2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.678 -3.461 0.103 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.932 -3.510 -0.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.574 -5.158 1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.105 -5.984 0.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.753 -5.801 0.466 1.00 0.00 H new ATOM 1108 N ASP A 64 3.264 -6.919 -5.768 1.00 0.00 N ATOM 1109 CA ASP A 64 3.010 -7.504 -7.089 1.00 0.00 C ATOM 1110 C ASP A 64 2.115 -6.658 -7.962 1.00 0.00 C ATOM 1111 O ASP A 64 1.639 -5.593 -7.569 1.00 0.00 O ATOM 1112 CB ASP A 64 2.395 -8.897 -6.948 1.00 0.00 C ATOM 1113 CG ASP A 64 3.347 -9.937 -6.391 1.00 0.00 C ATOM 1114 OD1 ASP A 64 4.560 -9.674 -6.306 1.00 0.00 O ATOM 1115 OD2 ASP A 64 2.876 -11.045 -6.056 1.00 0.00 O ATOM 0 H ASP A 64 2.433 -6.802 -5.189 1.00 0.00 H new ATOM 0 HA ASP A 64 3.982 -7.561 -7.579 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.522 -8.834 -6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.042 -9.228 -7.925 1.00 0.00 H new ATOM 1120 N ASN A 65 1.926 -7.166 -9.176 1.00 0.00 N ATOM 1121 CA ASN A 65 1.126 -6.522 -10.205 1.00 0.00 C ATOM 1122 C ASN A 65 -0.273 -6.196 -9.712 1.00 0.00 C ATOM 1123 O ASN A 65 -0.781 -5.110 -9.958 1.00 0.00 O ATOM 1124 CB ASN A 65 1.029 -7.447 -11.417 1.00 0.00 C ATOM 1125 CG ASN A 65 0.687 -6.720 -12.699 1.00 0.00 C ATOM 1126 OD1 ASN A 65 -0.353 -6.078 -12.816 1.00 0.00 O ATOM 1127 ND2 ASN A 65 1.574 -6.815 -13.668 1.00 0.00 N ATOM 0 H ASN A 65 2.333 -8.052 -9.475 1.00 0.00 H new ATOM 0 HA ASN A 65 1.614 -5.585 -10.474 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.978 -7.968 -11.545 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.272 -8.207 -11.225 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.410 -6.344 -14.558 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.425 -7.359 -13.528 1.00 0.00 H new ATOM 1134 N ASP A 66 -0.894 -7.144 -9.028 1.00 0.00 N ATOM 1135 CA ASP A 66 -2.242 -6.947 -8.533 1.00 0.00 C ATOM 1136 C ASP A 66 -2.337 -5.740 -7.593 1.00 0.00 C ATOM 1137 O ASP A 66 -3.266 -4.935 -7.710 1.00 0.00 O ATOM 1138 CB ASP A 66 -2.767 -8.225 -7.862 1.00 0.00 C ATOM 1139 CG ASP A 66 -1.948 -8.674 -6.662 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -0.724 -8.865 -6.805 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -2.537 -8.869 -5.580 1.00 0.00 O ATOM 0 H ASP A 66 -0.486 -8.052 -8.805 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.879 -6.729 -9.390 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.797 -8.060 -7.545 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.785 -9.029 -8.598 1.00 0.00 H new ATOM 1146 N SER A 67 -1.375 -5.590 -6.677 1.00 0.00 N ATOM 1147 CA SER A 67 -1.393 -4.453 -5.761 1.00 0.00 C ATOM 1148 C SER A 67 -0.999 -3.201 -6.492 1.00 0.00 C ATOM 1149 O SER A 67 -1.429 -2.106 -6.157 1.00 0.00 O ATOM 1150 CB SER A 67 -0.435 -4.640 -4.605 1.00 0.00 C ATOM 1151 OG SER A 67 -0.211 -6.013 -4.331 1.00 0.00 O ATOM 0 H SER A 67 -0.590 -6.229 -6.553 1.00 0.00 H new ATOM 0 HA SER A 67 -2.408 -4.376 -5.370 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.513 -4.155 -4.835 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.836 -4.152 -3.717 1.00 0.00 H new ATOM 0 HG SER A 67 -0.177 -6.152 -3.361 1.00 0.00 H new ATOM 1157 N TYR A 68 -0.162 -3.379 -7.485 1.00 0.00 N ATOM 1158 CA TYR A 68 0.318 -2.275 -8.278 1.00 0.00 C ATOM 1159 C TYR A 68 -0.821 -1.660 -9.072 1.00 0.00 C ATOM 1160 O TYR A 68 -0.953 -0.440 -9.117 1.00 0.00 O ATOM 1161 CB TYR A 68 1.436 -2.762 -9.188 1.00 0.00 C ATOM 1162 CG TYR A 68 1.903 -1.755 -10.197 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.289 -0.473 -9.817 1.00 0.00 C ATOM 1164 CD2 TYR A 68 1.973 -2.096 -11.534 1.00 0.00 C ATOM 1165 CE1 TYR A 68 2.723 0.439 -10.754 1.00 0.00 C ATOM 1166 CE2 TYR A 68 2.402 -1.194 -12.466 1.00 0.00 C ATOM 1167 CZ TYR A 68 2.781 0.066 -12.078 1.00 0.00 C ATOM 1168 OH TYR A 68 3.211 0.951 -13.028 1.00 0.00 O ATOM 0 H TYR A 68 0.204 -4.289 -7.765 1.00 0.00 H new ATOM 0 HA TYR A 68 0.716 -1.497 -7.626 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.284 -3.060 -8.572 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.096 -3.654 -9.715 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.248 -0.190 -8.776 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.685 -3.089 -11.846 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.014 1.435 -10.454 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.443 -1.473 -13.509 1.00 0.00 H new ATOM 0 HH TYR A 68 2.780 0.747 -13.884 1.00 0.00 H new ATOM 1178 N VAL A 69 -1.661 -2.497 -9.667 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.796 -1.986 -10.414 1.00 0.00 C ATOM 1180 C VAL A 69 -3.783 -1.355 -9.427 1.00 0.00 C ATOM 1181 O VAL A 69 -4.477 -0.398 -9.757 1.00 0.00 O ATOM 1182 CB VAL A 69 -3.502 -3.066 -11.265 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.538 -2.427 -12.178 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -2.496 -3.848 -12.095 1.00 0.00 C ATOM 0 H VAL A 69 -1.579 -3.513 -9.647 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.425 -1.244 -11.121 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.002 -3.756 -10.585 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.027 -3.200 -12.771 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.283 -1.907 -11.575 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.048 -1.716 -12.843 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.018 -4.602 -12.685 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.967 -3.167 -12.762 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.780 -4.337 -11.434 1.00 0.00 H new ATOM 1194 N SER A 70 -3.801 -1.871 -8.194 1.00 0.00 N ATOM 1195 CA SER A 70 -4.655 -1.315 -7.148 1.00 0.00 C ATOM 1196 C SER A 70 -4.099 0.061 -6.768 1.00 0.00 C ATOM 1197 O SER A 70 -4.830 1.047 -6.761 1.00 0.00 O ATOM 1198 CB SER A 70 -4.712 -2.246 -5.926 1.00 0.00 C ATOM 1199 OG SER A 70 -5.563 -1.723 -4.917 1.00 0.00 O ATOM 0 H SER A 70 -3.236 -2.668 -7.900 1.00 0.00 H new ATOM 0 HA SER A 70 -5.677 -1.216 -7.515 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.069 -3.229 -6.232 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.708 -2.382 -5.523 1.00 0.00 H new ATOM 0 HG SER A 70 -6.490 -1.980 -5.105 1.00 0.00 H new ATOM 1205 N PHE A 71 -2.789 0.131 -6.499 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.145 1.413 -6.180 1.00 0.00 C ATOM 1207 C PHE A 71 -2.369 2.387 -7.346 1.00 0.00 C ATOM 1208 O PHE A 71 -2.638 3.573 -7.147 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.652 1.196 -5.891 1.00 0.00 C ATOM 1210 CG PHE A 71 0.181 2.451 -5.814 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.092 3.441 -4.879 1.00 0.00 C ATOM 1212 CD2 PHE A 71 1.266 2.621 -6.663 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.691 4.581 -4.808 1.00 0.00 C ATOM 1214 CE2 PHE A 71 2.052 3.756 -6.593 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.770 4.734 -5.663 1.00 0.00 C ATOM 0 H PHE A 71 -2.161 -0.673 -6.495 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.587 1.845 -5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.556 0.658 -4.948 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.239 0.553 -6.668 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.923 3.321 -4.200 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.499 1.856 -7.388 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.460 5.351 -4.086 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.887 3.877 -7.267 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.389 5.617 -5.601 1.00 0.00 H new ATOM 1225 N TYR A 72 -2.318 1.843 -8.562 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.574 2.607 -9.789 1.00 0.00 C ATOM 1227 C TYR A 72 -3.995 3.164 -9.743 1.00 0.00 C ATOM 1228 O TYR A 72 -4.229 4.350 -9.978 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.415 1.679 -10.998 1.00 0.00 C ATOM 1230 CG TYR A 72 -2.896 2.240 -12.321 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -2.176 3.215 -12.997 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -4.065 1.770 -12.907 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -2.610 3.709 -14.215 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -4.504 2.255 -14.125 1.00 0.00 C ATOM 1235 CZ TYR A 72 -3.772 3.226 -14.774 1.00 0.00 C ATOM 1236 OH TYR A 72 -4.206 3.715 -15.987 1.00 0.00 O ATOM 0 H TYR A 72 -2.098 0.861 -8.727 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.867 3.432 -9.872 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.362 1.417 -11.096 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.956 0.754 -10.797 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.262 3.595 -12.565 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.642 1.010 -12.401 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.039 4.471 -14.725 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.414 1.876 -14.565 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.040 3.268 -16.240 1.00 0.00 H new ATOM 1246 N ASN A 73 -4.919 2.275 -9.413 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.343 2.588 -9.285 1.00 0.00 C ATOM 1248 C ASN A 73 -6.555 3.718 -8.277 1.00 0.00 C ATOM 1249 O ASN A 73 -7.325 4.654 -8.518 1.00 0.00 O ATOM 1250 CB ASN A 73 -7.073 1.314 -8.831 1.00 0.00 C ATOM 1251 CG ASN A 73 -8.580 1.456 -8.726 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -9.103 2.396 -8.132 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -9.290 0.483 -9.260 1.00 0.00 N ATOM 0 H ASN A 73 -4.701 1.297 -9.222 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.740 2.924 -10.243 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.844 0.510 -9.531 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.681 1.012 -7.860 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.307 0.495 -9.187 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.822 -0.282 -9.746 1.00 0.00 H new ATOM 1260 N ALA A 74 -5.865 3.618 -7.147 1.00 0.00 N ATOM 1261 CA ALA A 74 -5.960 4.615 -6.088 1.00 0.00 C ATOM 1262 C ALA A 74 -5.507 5.987 -6.581 1.00 0.00 C ATOM 1263 O ALA A 74 -6.039 7.016 -6.158 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.149 4.178 -4.884 1.00 0.00 C ATOM 0 H ALA A 74 -5.228 2.849 -6.940 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.005 4.701 -5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.228 4.931 -4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.531 3.227 -4.514 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.104 4.062 -5.172 1.00 0.00 H new ATOM 1270 N LEU A 75 -4.546 5.998 -7.497 1.00 0.00 N ATOM 1271 CA LEU A 75 -4.054 7.245 -8.070 1.00 0.00 C ATOM 1272 C LEU A 75 -5.156 7.881 -8.908 1.00 0.00 C ATOM 1273 O LEU A 75 -5.353 9.091 -8.876 1.00 0.00 O ATOM 1274 CB LEU A 75 -2.808 6.999 -8.927 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.583 6.468 -8.171 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.485 6.061 -9.140 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -1.054 7.510 -7.197 1.00 0.00 C ATOM 0 H LEU A 75 -4.093 5.159 -7.858 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.775 7.920 -7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.064 6.290 -9.714 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.534 7.934 -9.417 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.896 5.589 -7.607 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.373 5.688 -8.581 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.856 5.278 -9.802 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.184 6.925 -9.733 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.186 7.111 -6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.766 8.407 -7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.831 7.760 -6.474 1.00 0.00 H new ATOM 1289 N LEU A 76 -5.904 7.049 -9.624 1.00 0.00 N ATOM 1290 CA LEU A 76 -7.022 7.533 -10.441 1.00 0.00 C ATOM 1291 C LEU A 76 -8.201 7.929 -9.565 1.00 0.00 C ATOM 1292 O LEU A 76 -9.139 8.575 -10.028 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.483 6.463 -11.440 1.00 0.00 C ATOM 1294 CG LEU A 76 -6.723 6.421 -12.767 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.260 6.034 -12.551 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.388 5.452 -13.724 1.00 0.00 C ATOM 0 H LEU A 76 -5.761 6.040 -9.659 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.666 8.405 -10.989 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.398 5.487 -10.963 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.540 6.623 -11.653 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.748 7.420 -13.203 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.744 6.012 -13.511 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.783 6.766 -11.899 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.209 5.048 -12.089 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.836 5.433 -14.664 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.394 4.454 -13.286 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.413 5.772 -13.911 1.00 0.00 H new ATOM 1308 N HIS A 77 -8.147 7.528 -8.298 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.205 7.829 -7.351 1.00 0.00 C ATOM 1310 C HIS A 77 -9.046 9.223 -6.765 1.00 0.00 C ATOM 1311 O HIS A 77 -10.035 9.863 -6.406 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.219 6.793 -6.221 1.00 0.00 C ATOM 1313 CG HIS A 77 -10.423 5.907 -6.232 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -11.706 6.367 -6.046 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -10.528 4.572 -6.404 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -12.546 5.353 -6.102 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -11.854 4.255 -6.315 1.00 0.00 N ATOM 0 H HIS A 77 -7.374 6.990 -7.906 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.151 7.790 -7.891 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.324 6.175 -6.295 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.170 7.312 -5.264 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.715 3.883 -6.579 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.619 5.413 -5.992 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -12.245 3.317 -6.400 1.00 0.00 H new ATOM 1326 N GLU A 78 -7.806 9.685 -6.642 1.00 0.00 N ATOM 1327 CA GLU A 78 -7.557 11.001 -6.062 1.00 0.00 C ATOM 1328 C GLU A 78 -6.920 11.987 -7.045 1.00 0.00 C ATOM 1329 O GLU A 78 -6.091 12.809 -6.662 1.00 0.00 O ATOM 1330 CB GLU A 78 -6.715 10.859 -4.793 1.00 0.00 C ATOM 1331 CG GLU A 78 -7.425 10.071 -3.705 1.00 0.00 C ATOM 1332 CD GLU A 78 -8.734 10.707 -3.269 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -8.952 11.901 -3.554 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -9.545 10.012 -2.622 1.00 0.00 O ATOM 0 H GLU A 78 -6.970 9.178 -6.931 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.527 11.428 -5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.775 10.366 -5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.465 11.850 -4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.620 9.061 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.766 9.980 -2.841 1.00 0.00 H new ATOM 1341 N GLY A 79 -7.362 11.941 -8.297 1.00 0.00 N ATOM 1342 CA GLY A 79 -6.882 12.875 -9.310 1.00 0.00 C ATOM 1343 C GLY A 79 -5.390 12.806 -9.629 1.00 0.00 C ATOM 1344 O GLY A 79 -4.806 13.809 -10.035 1.00 0.00 O ATOM 0 H GLY A 79 -8.051 11.268 -8.635 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.439 12.700 -10.231 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.117 13.888 -8.983 1.00 0.00 H new ATOM 1348 N TYR A 80 -4.770 11.646 -9.493 1.00 0.00 N ATOM 1349 CA TYR A 80 -3.353 11.515 -9.821 1.00 0.00 C ATOM 1350 C TYR A 80 -3.177 10.579 -11.011 1.00 0.00 C ATOM 1351 O TYR A 80 -2.323 9.683 -11.009 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.536 11.035 -8.619 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.462 12.057 -7.510 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -1.648 13.175 -7.626 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -3.214 11.911 -6.353 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -1.587 14.121 -6.620 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -3.157 12.851 -5.339 1.00 0.00 C ATOM 1358 CZ TYR A 80 -2.343 13.955 -5.477 1.00 0.00 C ATOM 1359 OH TYR A 80 -2.283 14.893 -4.469 1.00 0.00 O ATOM 0 H TYR A 80 -5.215 10.790 -9.163 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.975 12.501 -10.091 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.977 10.117 -8.231 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.526 10.790 -8.948 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -1.052 13.308 -8.517 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.855 11.049 -6.242 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.950 14.987 -6.728 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.747 12.720 -4.444 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.877 14.625 -3.737 1.00 0.00 H new ATOM 1369 N LYS A 81 -4.005 10.796 -12.027 1.00 0.00 N ATOM 1370 CA LYS A 81 -3.986 9.993 -13.243 1.00 0.00 C ATOM 1371 C LYS A 81 -2.704 10.219 -14.043 1.00 0.00 C ATOM 1372 O LYS A 81 -2.254 9.327 -14.742 1.00 0.00 O ATOM 1373 CB LYS A 81 -5.220 10.332 -14.096 1.00 0.00 C ATOM 1374 CG LYS A 81 -5.424 9.466 -15.339 1.00 0.00 C ATOM 1375 CD LYS A 81 -4.591 9.934 -16.526 1.00 0.00 C ATOM 1376 CE LYS A 81 -4.906 11.376 -16.910 1.00 0.00 C ATOM 1377 NZ LYS A 81 -3.948 11.911 -17.916 1.00 0.00 N ATOM 0 H LYS A 81 -4.709 11.534 -12.030 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.013 8.940 -12.964 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.107 10.249 -13.468 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.148 11.374 -14.409 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.165 8.434 -15.104 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.479 9.476 -15.614 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.532 9.846 -16.283 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.777 9.282 -17.380 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.919 11.431 -17.310 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.881 12.002 -16.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.466 12.459 -18.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.256 12.526 -17.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.452 11.122 -18.377 1.00 0.00 H new ATOM 1391 N ASP A 82 -2.124 11.410 -13.957 1.00 0.00 N ATOM 1392 CA ASP A 82 -0.906 11.713 -14.713 1.00 0.00 C ATOM 1393 C ASP A 82 0.290 10.914 -14.216 1.00 0.00 C ATOM 1394 O ASP A 82 1.073 10.420 -15.023 1.00 0.00 O ATOM 1395 CB ASP A 82 -0.609 13.208 -14.696 1.00 0.00 C ATOM 1396 CG ASP A 82 -1.696 13.997 -15.396 1.00 0.00 C ATOM 1397 OD1 ASP A 82 -2.086 13.613 -16.522 1.00 0.00 O ATOM 1398 OD2 ASP A 82 -2.174 15.000 -14.828 1.00 0.00 O ATOM 0 H ASP A 82 -2.469 12.177 -13.379 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.087 11.412 -15.745 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.516 13.550 -13.665 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.349 13.396 -15.182 1.00 0.00 H new ATOM 1403 N LEU A 83 0.417 10.745 -12.907 1.00 0.00 N ATOM 1404 CA LEU A 83 1.515 9.952 -12.368 1.00 0.00 C ATOM 1405 C LEU A 83 1.269 8.510 -12.773 1.00 0.00 C ATOM 1406 O LEU A 83 2.165 7.800 -13.215 1.00 0.00 O ATOM 1407 CB LEU A 83 1.576 10.072 -10.843 1.00 0.00 C ATOM 1408 CG LEU A 83 2.970 9.966 -10.198 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.664 8.640 -10.504 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.844 11.134 -10.627 1.00 0.00 C ATOM 0 H LEU A 83 -0.214 11.138 -12.209 1.00 0.00 H new ATOM 0 HA LEU A 83 2.468 10.309 -12.759 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.141 11.030 -10.559 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.943 9.295 -10.415 1.00 0.00 H new ATOM 0 HG LEU A 83 2.822 10.003 -9.119 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.642 8.622 -10.024 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.059 7.817 -10.125 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.787 8.534 -11.582 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.826 11.044 -10.162 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.954 11.127 -11.711 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.380 12.070 -10.315 1.00 0.00 H new ATOM 1422 N ALA A 84 0.018 8.113 -12.645 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.415 6.776 -13.014 1.00 0.00 C ATOM 1424 C ALA A 84 -0.256 6.538 -14.517 1.00 0.00 C ATOM 1425 O ALA A 84 0.016 5.422 -14.945 1.00 0.00 O ATOM 1426 CB ALA A 84 -1.853 6.564 -12.589 1.00 0.00 C ATOM 0 H ALA A 84 -0.728 8.707 -12.283 1.00 0.00 H new ATOM 0 HA ALA A 84 0.218 6.055 -12.497 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.171 5.560 -12.869 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.934 6.682 -11.509 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.490 7.297 -13.083 1.00 0.00 H new ATOM 1432 N ALA A 85 -0.405 7.597 -15.312 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.254 7.502 -16.765 1.00 0.00 C ATOM 1434 C ALA A 85 1.194 7.196 -17.093 1.00 0.00 C ATOM 1435 O ALA A 85 1.492 6.482 -18.051 1.00 0.00 O ATOM 1436 CB ALA A 85 -0.706 8.785 -17.449 1.00 0.00 C ATOM 0 H ALA A 85 -0.631 8.533 -14.974 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.887 6.697 -17.138 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.582 8.685 -18.527 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.755 8.969 -17.219 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.104 9.620 -17.090 1.00 0.00 H new ATOM 1442 N LEU A 86 2.086 7.707 -16.246 1.00 0.00 N ATOM 1443 CA LEU A 86 3.516 7.456 -16.393 1.00 0.00 C ATOM 1444 C LEU A 86 3.813 5.980 -16.130 1.00 0.00 C ATOM 1445 O LEU A 86 4.910 5.489 -16.395 1.00 0.00 O ATOM 1446 CB LEU A 86 4.310 8.309 -15.401 1.00 0.00 C ATOM 1447 CG LEU A 86 4.246 9.812 -15.640 1.00 0.00 C ATOM 1448 CD1 LEU A 86 4.797 10.567 -14.444 1.00 0.00 C ATOM 1449 CD2 LEU A 86 5.025 10.173 -16.886 1.00 0.00 C ATOM 0 H LEU A 86 1.842 8.297 -15.451 1.00 0.00 H new ATOM 0 HA LEU A 86 3.810 7.717 -17.410 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.945 8.102 -14.395 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.354 7.997 -15.432 1.00 0.00 H new ATOM 0 HG LEU A 86 3.203 10.096 -15.778 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.743 11.639 -14.634 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.209 10.325 -13.559 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.836 10.280 -14.279 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.973 11.250 -17.048 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.066 9.874 -16.764 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.598 9.656 -17.745 1.00 0.00 H new ATOM 1461 N LEU A 87 2.819 5.291 -15.578 1.00 0.00 N ATOM 1462 CA LEU A 87 2.931 3.880 -15.228 1.00 0.00 C ATOM 1463 C LEU A 87 1.961 3.020 -16.039 1.00 0.00 C ATOM 1464 O LEU A 87 1.979 1.791 -15.940 1.00 0.00 O ATOM 1465 CB LEU A 87 2.593 3.692 -13.753 1.00 0.00 C ATOM 1466 CG LEU A 87 3.680 4.021 -12.725 1.00 0.00 C ATOM 1467 CD1 LEU A 87 4.213 5.433 -12.896 1.00 0.00 C ATOM 1468 CD2 LEU A 87 3.112 3.835 -11.327 1.00 0.00 C ATOM 0 H LEU A 87 1.909 5.698 -15.360 1.00 0.00 H new ATOM 0 HA LEU A 87 3.954 3.571 -15.444 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.722 4.307 -13.528 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.297 2.653 -13.607 1.00 0.00 H new ATOM 0 HG LEU A 87 4.519 3.342 -12.881 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.982 5.625 -12.147 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.642 5.542 -13.892 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.399 6.147 -12.771 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.879 4.067 -10.589 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.261 4.502 -11.188 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.788 2.802 -11.201 1.00 0.00 H new ATOM 1480 N HIS A 88 1.091 3.675 -16.801 1.00 0.00 N ATOM 1481 CA HIS A 88 0.070 2.994 -17.600 1.00 0.00 C ATOM 1482 C HIS A 88 0.696 2.023 -18.598 1.00 0.00 C ATOM 1483 O HIS A 88 0.121 0.979 -18.900 1.00 0.00 O ATOM 1484 CB HIS A 88 -0.788 4.027 -18.332 1.00 0.00 C ATOM 1485 CG HIS A 88 -2.069 3.498 -18.903 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -2.875 4.245 -19.733 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -2.698 2.311 -18.744 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -3.941 3.541 -20.055 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -3.863 2.367 -19.472 1.00 0.00 N ATOM 0 H HIS A 88 1.071 4.691 -16.884 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.559 2.413 -16.925 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.023 4.837 -17.641 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.199 4.459 -19.141 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.350 1.475 -18.155 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.746 3.874 -20.693 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.553 1.620 -19.547 1.00 0.00 H new ATOM 1498 N ASP A 89 1.883 2.363 -19.085 1.00 0.00 N ATOM 1499 CA ASP A 89 2.598 1.501 -20.033 1.00 0.00 C ATOM 1500 C ASP A 89 3.003 0.199 -19.350 1.00 0.00 C ATOM 1501 O ASP A 89 3.240 -0.820 -20.003 1.00 0.00 O ATOM 1502 CB ASP A 89 3.842 2.207 -20.590 1.00 0.00 C ATOM 1503 CG ASP A 89 3.508 3.253 -21.639 1.00 0.00 C ATOM 1504 OD1 ASP A 89 3.031 2.877 -22.731 1.00 0.00 O ATOM 1505 OD2 ASP A 89 3.718 4.458 -21.379 1.00 0.00 O ATOM 0 H ASP A 89 2.373 3.224 -18.844 1.00 0.00 H new ATOM 0 HA ASP A 89 1.928 1.281 -20.864 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.382 2.681 -19.770 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.511 1.464 -21.025 1.00 0.00 H new ATOM 1510 N GLY A 90 3.061 0.247 -18.025 1.00 0.00 N ATOM 1511 CA GLY A 90 3.411 -0.917 -17.239 1.00 0.00 C ATOM 1512 C GLY A 90 2.176 -1.690 -16.805 1.00 0.00 C ATOM 1513 O GLY A 90 2.223 -2.908 -16.643 1.00 0.00 O ATOM 0 H GLY A 90 2.869 1.085 -17.476 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.062 -1.568 -17.822 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.975 -0.607 -16.359 1.00 0.00 H new ATOM 1517 N ILE A 91 1.073 -0.971 -16.619 1.00 0.00 N ATOM 1518 CA ILE A 91 -0.192 -1.566 -16.211 1.00 0.00 C ATOM 1519 C ILE A 91 -0.748 -2.456 -17.325 1.00 0.00 C ATOM 1520 O ILE A 91 -0.765 -2.058 -18.491 1.00 0.00 O ATOM 1521 CB ILE A 91 -1.221 -0.463 -15.861 1.00 0.00 C ATOM 1522 CG1 ILE A 91 -0.679 0.452 -14.759 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -2.549 -1.071 -15.443 1.00 0.00 C ATOM 1524 CD1 ILE A 91 -0.422 -0.247 -13.456 1.00 0.00 C ATOM 0 H ILE A 91 1.033 0.040 -16.747 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.012 -2.176 -15.326 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.389 0.136 -16.756 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.249 0.908 -15.104 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.389 1.262 -14.591 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.254 -0.275 -15.203 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.947 -1.673 -16.260 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.401 -1.701 -14.566 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.040 0.469 -12.728 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.351 -0.680 -13.086 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.312 -1.038 -13.606 1.00 0.00 H new ATOM 1536 N PRO A 92 -1.185 -3.678 -16.984 1.00 0.00 N ATOM 1537 CA PRO A 92 -1.730 -4.635 -17.955 1.00 0.00 C ATOM 1538 C PRO A 92 -3.098 -4.208 -18.494 1.00 0.00 C ATOM 1539 O PRO A 92 -3.383 -3.016 -18.626 1.00 0.00 O ATOM 1540 CB PRO A 92 -1.852 -5.939 -17.157 1.00 0.00 C ATOM 1541 CG PRO A 92 -1.105 -5.709 -15.891 1.00 0.00 C ATOM 1542 CD PRO A 92 -1.165 -4.234 -15.632 1.00 0.00 C ATOM 0 HA PRO A 92 -1.092 -4.720 -18.835 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.896 -6.179 -16.957 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.433 -6.778 -17.712 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.552 -6.267 -15.068 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.073 -6.047 -15.981 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -2.054 -3.957 -15.066 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.303 -3.886 -15.062 1.00 0.00 H new