USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 545 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 24 SER OG : rot 71:sc= 0.924 USER MOD Set 1.2: A 68 MET CE :methyl -164:sc= -0.0647 (180deg=-0.389) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 140:sc= 0 USER MOD Single : A 10 THR OG1 : rot -4:sc= 1.07 USER MOD Single : A 16 MET CE :methyl 167:sc= -0.0159 (180deg=-0.253) USER MOD Single : A 17 THR OG1 : rot 38:sc= -0.255 USER MOD Single : A 18 CYS SG : rot 180:sc= -0.192 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 20 SER OG : rot -100:sc= 0.244 USER MOD Single : A 21 CYS SG : rot -1:sc= -2.14! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -84:sc= 1.08 USER MOD Single : A 31 ASN : amide:sc= -1.31! K(o=-1.3!,f=-0.065) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -166:sc= -0.0187 (180deg=-0.259) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.239 USER MOD Single : A 44 GLN : amide:sc=-0.00249 K(o=-0.0025,f=-0.83) USER MOD Single : A 46 SER OG : rot 180:sc= -0.236 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.624 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 68:sc= -0.109 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.7 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 60 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.26) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0175 X(o=-0.017,f=0) USER MOD Single : A 64 GLN : amide:sc= -5.35! C(o=-5.4!,f=-5.4!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 4.621 -10.504 -0.093 1.00 0.00 N ATOM 72 CA VAL A 6 3.839 -9.357 0.321 1.00 0.00 C ATOM 73 C VAL A 6 4.676 -8.108 0.204 1.00 0.00 C ATOM 74 O VAL A 6 5.902 -8.162 0.331 1.00 0.00 O ATOM 75 CB VAL A 6 3.309 -9.487 1.775 1.00 0.00 C ATOM 76 CG1 VAL A 6 2.307 -10.617 1.881 1.00 0.00 C ATOM 77 CG2 VAL A 6 4.457 -9.698 2.759 1.00 0.00 C ATOM 0 HA VAL A 6 2.972 -9.303 -0.338 1.00 0.00 H new ATOM 0 HB VAL A 6 2.807 -8.555 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.949 -10.690 2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.466 -10.421 1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.784 -11.554 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.058 -9.786 3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.995 -10.610 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.139 -8.849 2.710 1.00 0.00 H new ATOM 87 N ALA A 7 4.037 -6.997 -0.048 1.00 0.00 N ATOM 88 CA ALA A 7 4.740 -5.752 -0.175 1.00 0.00 C ATOM 89 C ALA A 7 3.979 -4.642 0.501 1.00 0.00 C ATOM 90 O ALA A 7 2.749 -4.667 0.574 1.00 0.00 O ATOM 91 CB ALA A 7 4.979 -5.420 -1.640 1.00 0.00 C ATOM 0 H ALA A 7 3.026 -6.930 -0.170 1.00 0.00 H new ATOM 0 HA ALA A 7 5.707 -5.854 0.317 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.513 -4.473 -1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.573 -6.210 -2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.022 -5.339 -2.156 1.00 0.00 H new ATOM 97 N THR A 8 4.704 -3.691 1.008 1.00 0.00 N ATOM 98 CA THR A 8 4.123 -2.550 1.654 1.00 0.00 C ATOM 99 C THR A 8 4.652 -1.306 1.004 1.00 0.00 C ATOM 100 O THR A 8 5.717 -1.337 0.390 1.00 0.00 O ATOM 101 CB THR A 8 4.481 -2.509 3.152 1.00 0.00 C ATOM 102 OG1 THR A 8 5.912 -2.443 3.303 1.00 0.00 O ATOM 103 CG2 THR A 8 3.948 -3.737 3.879 1.00 0.00 C ATOM 0 H THR A 8 5.724 -3.684 0.985 1.00 0.00 H new ATOM 0 HA THR A 8 3.039 -2.616 1.557 1.00 0.00 H new ATOM 0 HB THR A 8 4.019 -1.625 3.591 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.139 -2.415 4.256 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.216 -3.680 4.934 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.863 -3.775 3.782 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.383 -4.636 3.442 1.00 0.00 H new ATOM 111 N SER A 9 3.919 -0.236 1.108 1.00 0.00 N ATOM 112 CA SER A 9 4.364 1.021 0.583 1.00 0.00 C ATOM 113 C SER A 9 3.671 2.155 1.297 1.00 0.00 C ATOM 114 O SER A 9 2.608 1.963 1.903 1.00 0.00 O ATOM 115 CB SER A 9 4.112 1.089 -0.926 1.00 0.00 C ATOM 116 OG SER A 9 2.731 0.979 -1.215 1.00 0.00 O ATOM 0 H SER A 9 3.003 -0.210 1.556 1.00 0.00 H new ATOM 0 HA SER A 9 5.437 1.114 0.750 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.496 2.030 -1.320 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.657 0.288 -1.426 1.00 0.00 H new ATOM 0 HG SER A 9 2.497 1.600 -1.936 1.00 0.00 H new ATOM 122 N THR A 10 4.262 3.319 1.236 1.00 0.00 N ATOM 123 CA THR A 10 3.679 4.490 1.829 1.00 0.00 C ATOM 124 C THR A 10 3.399 5.505 0.749 1.00 0.00 C ATOM 125 O THR A 10 4.201 5.686 -0.165 1.00 0.00 O ATOM 126 CB THR A 10 4.611 5.108 2.904 1.00 0.00 C ATOM 127 OG1 THR A 10 5.897 5.412 2.333 1.00 0.00 O ATOM 128 CG2 THR A 10 4.793 4.156 4.078 1.00 0.00 C ATOM 0 H THR A 10 5.158 3.480 0.775 1.00 0.00 H new ATOM 0 HA THR A 10 2.751 4.201 2.322 1.00 0.00 H new ATOM 0 HB THR A 10 4.146 6.026 3.264 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.924 5.101 1.404 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.450 4.612 4.818 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.824 3.949 4.532 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.235 3.224 3.726 1.00 0.00 H new ATOM 136 N VAL A 11 2.277 6.152 0.842 1.00 0.00 N ATOM 137 CA VAL A 11 1.903 7.136 -0.131 1.00 0.00 C ATOM 138 C VAL A 11 1.431 8.400 0.557 1.00 0.00 C ATOM 139 O VAL A 11 0.530 8.364 1.392 1.00 0.00 O ATOM 140 CB VAL A 11 0.805 6.589 -1.098 1.00 0.00 C ATOM 141 CG1 VAL A 11 -0.417 6.091 -0.334 1.00 0.00 C ATOM 142 CG2 VAL A 11 0.403 7.642 -2.118 1.00 0.00 C ATOM 0 H VAL A 11 1.597 6.015 1.590 1.00 0.00 H new ATOM 0 HA VAL A 11 2.782 7.372 -0.731 1.00 0.00 H new ATOM 0 HB VAL A 11 1.235 5.740 -1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.160 5.718 -1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.122 5.288 0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.844 6.911 0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.363 7.235 -2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.009 8.517 -1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.274 7.930 -2.706 1.00 0.00 H new ATOM 152 N ARG A 12 2.058 9.511 0.235 1.00 0.00 N ATOM 153 CA ARG A 12 1.660 10.769 0.823 1.00 0.00 C ATOM 154 C ARG A 12 0.414 11.269 0.138 1.00 0.00 C ATOM 155 O ARG A 12 0.257 11.098 -1.074 1.00 0.00 O ATOM 156 CB ARG A 12 2.766 11.829 0.723 1.00 0.00 C ATOM 157 CG ARG A 12 3.068 12.263 -0.695 1.00 0.00 C ATOM 158 CD ARG A 12 3.977 13.482 -0.737 1.00 0.00 C ATOM 159 NE ARG A 12 3.318 14.664 -0.169 1.00 0.00 N ATOM 160 CZ ARG A 12 3.829 15.898 -0.169 1.00 0.00 C ATOM 161 NH1 ARG A 12 5.010 16.136 -0.727 1.00 0.00 N ATOM 162 NH2 ARG A 12 3.155 16.890 0.397 1.00 0.00 N ATOM 0 H ARG A 12 2.836 9.568 -0.422 1.00 0.00 H new ATOM 0 HA ARG A 12 1.467 10.596 1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.474 12.702 1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.676 11.435 1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.539 11.441 -1.233 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.135 12.489 -1.211 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.893 13.274 -0.184 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.267 13.686 -1.768 1.00 0.00 H new ATOM 0 HE ARG A 12 2.401 14.533 0.258 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.533 15.374 -1.159 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.395 17.081 -0.724 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.250 16.709 0.830 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.542 17.834 0.399 1.00 0.00 H new ATOM 176 N ILE A 13 -0.453 11.878 0.900 1.00 0.00 N ATOM 177 CA ILE A 13 -1.679 12.430 0.368 1.00 0.00 C ATOM 178 C ILE A 13 -1.668 13.940 0.536 1.00 0.00 C ATOM 179 O ILE A 13 -1.500 14.457 1.649 1.00 0.00 O ATOM 180 CB ILE A 13 -2.935 11.809 1.052 1.00 0.00 C ATOM 181 CG1 ILE A 13 -2.880 11.995 2.578 1.00 0.00 C ATOM 182 CG2 ILE A 13 -3.058 10.332 0.696 1.00 0.00 C ATOM 183 CD1 ILE A 13 -4.128 11.539 3.304 1.00 0.00 C ATOM 0 H ILE A 13 -0.335 12.008 1.905 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.736 12.183 -0.692 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.817 12.331 0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.024 11.445 2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.709 13.049 2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.940 9.913 1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.153 10.225 -0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.169 9.800 1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.007 11.705 4.375 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.986 12.106 2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.290 10.477 3.117 1.00 0.00 H new ATOM 195 N LEU A 14 -1.815 14.649 -0.557 1.00 0.00 N ATOM 196 CA LEU A 14 -1.750 16.088 -0.519 1.00 0.00 C ATOM 197 C LEU A 14 -3.018 16.719 -1.072 1.00 0.00 C ATOM 198 O LEU A 14 -3.378 16.512 -2.236 1.00 0.00 O ATOM 199 CB LEU A 14 -0.521 16.572 -1.291 1.00 0.00 C ATOM 200 CG LEU A 14 -0.308 18.084 -1.342 1.00 0.00 C ATOM 201 CD1 LEU A 14 -0.132 18.651 0.058 1.00 0.00 C ATOM 202 CD2 LEU A 14 0.897 18.409 -2.200 1.00 0.00 C ATOM 0 H LEU A 14 -1.980 14.253 -1.482 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.662 16.399 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.364 16.116 -0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.591 16.201 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.191 18.544 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.018 19.729 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.023 18.441 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.735 18.190 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.041 19.489 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.783 17.936 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.735 18.036 -3.211 1.00 0.00 H new ATOM 214 N GLY A 15 -3.686 17.478 -0.228 1.00 0.00 N ATOM 215 CA GLY A 15 -4.885 18.168 -0.619 1.00 0.00 C ATOM 216 C GLY A 15 -5.455 18.952 0.533 1.00 0.00 C ATOM 217 O GLY A 15 -5.030 18.766 1.677 1.00 0.00 O ATOM 0 H GLY A 15 -3.410 17.630 0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.668 18.840 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.623 17.449 -0.975 1.00 0.00 H new ATOM 221 N MET A 16 -6.410 19.821 0.248 1.00 0.00 N ATOM 222 CA MET A 16 -7.043 20.635 1.281 1.00 0.00 C ATOM 223 C MET A 16 -7.810 19.769 2.272 1.00 0.00 C ATOM 224 O MET A 16 -7.801 20.026 3.480 1.00 0.00 O ATOM 225 CB MET A 16 -7.975 21.678 0.659 1.00 0.00 C ATOM 226 CG MET A 16 -7.250 22.775 -0.107 1.00 0.00 C ATOM 227 SD MET A 16 -8.382 23.925 -0.922 1.00 0.00 S ATOM 228 CE MET A 16 -9.108 24.747 0.496 1.00 0.00 C ATOM 0 H MET A 16 -6.768 19.984 -0.693 1.00 0.00 H new ATOM 0 HA MET A 16 -6.251 21.154 1.822 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.668 21.175 -0.015 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.572 22.134 1.449 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.609 23.328 0.579 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.600 22.321 -0.855 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.649 25.634 0.165 1.00 0.00 H new ATOM 0 HE2 MET A 16 -9.797 24.067 0.997 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.320 25.040 1.189 1.00 0.00 H new ATOM 238 N THR A 17 -8.471 18.749 1.763 1.00 0.00 N ATOM 239 CA THR A 17 -9.236 17.848 2.593 1.00 0.00 C ATOM 240 C THR A 17 -8.567 16.470 2.679 1.00 0.00 C ATOM 241 O THR A 17 -8.478 15.740 1.685 1.00 0.00 O ATOM 242 CB THR A 17 -10.668 17.712 2.053 1.00 0.00 C ATOM 243 OG1 THR A 17 -10.633 17.579 0.625 1.00 0.00 O ATOM 244 CG2 THR A 17 -11.506 18.925 2.433 1.00 0.00 C ATOM 0 H THR A 17 -8.492 18.524 0.768 1.00 0.00 H new ATOM 0 HA THR A 17 -9.275 18.267 3.598 1.00 0.00 H new ATOM 0 HB THR A 17 -11.122 16.825 2.494 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.864 17.030 0.366 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.516 18.807 2.040 1.00 0.00 H new ATOM 0 HG22 THR A 17 -11.547 19.013 3.519 1.00 0.00 H new ATOM 0 HG23 THR A 17 -11.056 19.824 2.013 1.00 0.00 H new ATOM 252 N CYS A 18 -8.099 16.125 3.872 1.00 0.00 N ATOM 253 CA CYS A 18 -7.404 14.868 4.093 1.00 0.00 C ATOM 254 C CYS A 18 -8.351 13.675 4.018 1.00 0.00 C ATOM 255 O CYS A 18 -8.048 12.673 3.375 1.00 0.00 O ATOM 256 CB CYS A 18 -6.672 14.891 5.440 1.00 0.00 C ATOM 257 SG CYS A 18 -7.734 15.243 6.864 1.00 0.00 S ATOM 0 H CYS A 18 -8.190 16.705 4.706 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.671 14.753 3.295 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.188 13.926 5.593 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.882 15.641 5.397 1.00 0.00 H new ATOM 0 HG CYS A 18 -7.020 15.237 7.950 1.00 0.00 H new ATOM 263 N GLN A 19 -9.503 13.787 4.651 1.00 0.00 N ATOM 264 CA GLN A 19 -10.455 12.690 4.657 1.00 0.00 C ATOM 265 C GLN A 19 -10.981 12.401 3.264 1.00 0.00 C ATOM 266 O GLN A 19 -11.167 11.250 2.898 1.00 0.00 O ATOM 267 CB GLN A 19 -11.600 12.931 5.635 1.00 0.00 C ATOM 268 CG GLN A 19 -11.176 12.869 7.089 1.00 0.00 C ATOM 269 CD GLN A 19 -12.299 13.213 8.041 1.00 0.00 C ATOM 270 OE1 GLN A 19 -13.196 13.994 7.713 1.00 0.00 O ATOM 271 NE2 GLN A 19 -12.264 12.629 9.220 1.00 0.00 N ATOM 0 H GLN A 19 -9.802 14.617 5.163 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.915 11.808 5.000 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.039 13.908 5.434 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.379 12.189 5.460 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.809 11.867 7.314 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.345 13.556 7.250 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.503 11.990 9.450 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.998 12.816 9.904 1.00 0.00 H new ATOM 280 N SER A 20 -11.199 13.448 2.484 1.00 0.00 N ATOM 281 CA SER A 20 -11.726 13.298 1.137 1.00 0.00 C ATOM 282 C SER A 20 -10.785 12.451 0.261 1.00 0.00 C ATOM 283 O SER A 20 -11.235 11.547 -0.453 1.00 0.00 O ATOM 284 CB SER A 20 -11.965 14.673 0.506 1.00 0.00 C ATOM 285 OG SER A 20 -12.504 14.559 -0.800 1.00 0.00 O ATOM 0 H SER A 20 -11.019 14.413 2.761 1.00 0.00 H new ATOM 0 HA SER A 20 -12.679 12.773 1.201 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.646 15.249 1.133 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.026 15.224 0.466 1.00 0.00 H new ATOM 0 HG SER A 20 -11.791 14.688 -1.460 1.00 0.00 H new ATOM 291 N CYS A 21 -9.483 12.726 0.321 1.00 0.00 N ATOM 292 CA CYS A 21 -8.527 11.943 -0.452 1.00 0.00 C ATOM 293 C CYS A 21 -8.411 10.520 0.105 1.00 0.00 C ATOM 294 O CYS A 21 -8.201 9.567 -0.646 1.00 0.00 O ATOM 295 CB CYS A 21 -7.162 12.632 -0.508 1.00 0.00 C ATOM 296 SG CYS A 21 -6.401 12.911 1.094 1.00 0.00 S ATOM 0 H CYS A 21 -9.074 13.470 0.886 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.899 11.873 -1.474 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.489 12.027 -1.115 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.274 13.591 -1.015 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.193 12.483 2.031 1.00 0.00 H new ATOM 302 N VAL A 22 -8.571 10.383 1.428 1.00 0.00 N ATOM 303 CA VAL A 22 -8.563 9.069 2.069 1.00 0.00 C ATOM 304 C VAL A 22 -9.738 8.248 1.565 1.00 0.00 C ATOM 305 O VAL A 22 -9.599 7.075 1.236 1.00 0.00 O ATOM 306 CB VAL A 22 -8.630 9.177 3.617 1.00 0.00 C ATOM 307 CG1 VAL A 22 -8.840 7.807 4.251 1.00 0.00 C ATOM 308 CG2 VAL A 22 -7.363 9.813 4.160 1.00 0.00 C ATOM 0 H VAL A 22 -8.707 11.164 2.069 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.624 8.580 1.810 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.481 9.809 3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.883 7.911 5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.775 7.378 3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.012 7.151 3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.427 9.881 5.246 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.503 9.203 3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.249 10.812 3.740 1.00 0.00 H new ATOM 318 N LYS A 23 -10.887 8.891 1.483 1.00 0.00 N ATOM 319 CA LYS A 23 -12.102 8.249 0.991 1.00 0.00 C ATOM 320 C LYS A 23 -11.903 7.809 -0.449 1.00 0.00 C ATOM 321 O LYS A 23 -12.351 6.736 -0.858 1.00 0.00 O ATOM 322 CB LYS A 23 -13.282 9.220 1.061 1.00 0.00 C ATOM 323 CG LYS A 23 -13.729 9.565 2.469 1.00 0.00 C ATOM 324 CD LYS A 23 -14.876 10.560 2.444 1.00 0.00 C ATOM 325 CE LYS A 23 -15.328 10.927 3.845 1.00 0.00 C ATOM 326 NZ LYS A 23 -16.437 11.915 3.829 1.00 0.00 N ATOM 0 H LYS A 23 -11.010 9.867 1.752 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.314 7.381 1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.010 10.140 0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.125 8.788 0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.040 8.659 2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.892 9.982 3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.566 11.460 1.914 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.714 10.136 1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.651 10.028 4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.486 11.336 4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.716 12.139 4.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.122 12.783 3.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.251 11.515 3.319 1.00 0.00 H new ATOM 340 N SER A 24 -11.225 8.652 -1.209 1.00 0.00 N ATOM 341 CA SER A 24 -10.964 8.393 -2.608 1.00 0.00 C ATOM 342 C SER A 24 -10.110 7.144 -2.801 1.00 0.00 C ATOM 343 O SER A 24 -10.394 6.316 -3.667 1.00 0.00 O ATOM 344 CB SER A 24 -10.278 9.605 -3.235 1.00 0.00 C ATOM 345 OG SER A 24 -11.121 10.751 -3.182 1.00 0.00 O ATOM 0 H SER A 24 -10.841 9.534 -0.870 1.00 0.00 H new ATOM 0 HA SER A 24 -11.919 8.216 -3.103 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.345 9.811 -2.711 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.020 9.386 -4.271 1.00 0.00 H new ATOM 0 HG SER A 24 -11.192 11.062 -2.255 1.00 0.00 H new ATOM 351 N ILE A 25 -9.084 6.995 -1.983 1.00 0.00 N ATOM 352 CA ILE A 25 -8.210 5.852 -2.108 1.00 0.00 C ATOM 353 C ILE A 25 -8.779 4.615 -1.434 1.00 0.00 C ATOM 354 O ILE A 25 -8.689 3.535 -1.977 1.00 0.00 O ATOM 355 CB ILE A 25 -6.778 6.131 -1.578 1.00 0.00 C ATOM 356 CG1 ILE A 25 -6.801 6.552 -0.103 1.00 0.00 C ATOM 357 CG2 ILE A 25 -6.095 7.183 -2.431 1.00 0.00 C ATOM 358 CD1 ILE A 25 -5.426 6.674 0.524 1.00 0.00 C ATOM 0 H ILE A 25 -8.840 7.644 -1.235 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.140 5.659 -3.179 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.206 5.206 -1.646 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.315 7.509 -0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.384 5.825 0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.092 7.368 -2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.030 6.831 -3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.672 8.107 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.527 6.975 1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.916 5.712 0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.845 7.423 -0.015 1.00 0.00 H new ATOM 370 N GLU A 26 -9.406 4.778 -0.276 1.00 0.00 N ATOM 371 CA GLU A 26 -9.903 3.620 0.468 1.00 0.00 C ATOM 372 C GLU A 26 -10.963 2.872 -0.325 1.00 0.00 C ATOM 373 O GLU A 26 -10.932 1.644 -0.419 1.00 0.00 O ATOM 374 CB GLU A 26 -10.465 4.028 1.832 1.00 0.00 C ATOM 375 CG GLU A 26 -10.925 2.840 2.668 1.00 0.00 C ATOM 376 CD GLU A 26 -11.509 3.242 3.998 1.00 0.00 C ATOM 377 OE1 GLU A 26 -12.705 3.597 4.039 1.00 0.00 O ATOM 378 OE2 GLU A 26 -10.787 3.180 5.015 1.00 0.00 O ATOM 0 H GLU A 26 -9.582 5.681 0.165 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.054 2.957 0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.702 4.579 2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.304 4.707 1.684 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.670 2.276 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.080 2.173 2.836 1.00 0.00 H new ATOM 385 N ASP A 27 -11.885 3.616 -0.912 1.00 0.00 N ATOM 386 CA ASP A 27 -12.961 3.021 -1.693 1.00 0.00 C ATOM 387 C ASP A 27 -12.414 2.253 -2.889 1.00 0.00 C ATOM 388 O ASP A 27 -12.717 1.074 -3.080 1.00 0.00 O ATOM 389 CB ASP A 27 -13.916 4.115 -2.179 1.00 0.00 C ATOM 390 CG ASP A 27 -15.016 3.585 -3.076 1.00 0.00 C ATOM 391 OD1 ASP A 27 -16.012 3.048 -2.557 1.00 0.00 O ATOM 392 OD2 ASP A 27 -14.896 3.721 -4.307 1.00 0.00 O ATOM 0 H ASP A 27 -11.912 4.635 -0.864 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.497 2.321 -1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.364 4.608 -1.316 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.348 4.872 -2.719 1.00 0.00 H new ATOM 397 N ARG A 28 -11.574 2.909 -3.662 1.00 0.00 N ATOM 398 CA ARG A 28 -11.038 2.310 -4.866 1.00 0.00 C ATOM 399 C ARG A 28 -10.046 1.175 -4.568 1.00 0.00 C ATOM 400 O ARG A 28 -10.077 0.134 -5.223 1.00 0.00 O ATOM 401 CB ARG A 28 -10.414 3.379 -5.753 1.00 0.00 C ATOM 402 CG ARG A 28 -11.435 4.360 -6.327 1.00 0.00 C ATOM 403 CD ARG A 28 -10.792 5.352 -7.279 1.00 0.00 C ATOM 404 NE ARG A 28 -11.759 6.316 -7.812 1.00 0.00 N ATOM 405 CZ ARG A 28 -11.505 7.165 -8.815 1.00 0.00 C ATOM 406 NH1 ARG A 28 -10.355 7.108 -9.472 1.00 0.00 N ATOM 407 NH2 ARG A 28 -12.411 8.054 -9.179 1.00 0.00 N ATOM 0 H ARG A 28 -11.248 3.858 -3.478 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.869 1.853 -5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.673 3.933 -5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.883 2.896 -6.574 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.215 3.807 -6.851 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.918 4.899 -5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.997 5.887 -6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.328 4.812 -8.104 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.687 6.342 -7.390 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.654 6.413 -9.215 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.171 7.759 -10.235 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.308 8.095 -8.695 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.214 8.699 -9.944 1.00 0.00 H new ATOM 421 N ILE A 29 -9.186 1.372 -3.568 1.00 0.00 N ATOM 422 CA ILE A 29 -8.208 0.350 -3.180 1.00 0.00 C ATOM 423 C ILE A 29 -8.900 -0.909 -2.672 1.00 0.00 C ATOM 424 O ILE A 29 -8.526 -2.019 -3.036 1.00 0.00 O ATOM 425 CB ILE A 29 -7.202 0.866 -2.108 1.00 0.00 C ATOM 426 CG1 ILE A 29 -6.280 1.935 -2.702 1.00 0.00 C ATOM 427 CG2 ILE A 29 -6.376 -0.283 -1.536 1.00 0.00 C ATOM 428 CD1 ILE A 29 -5.422 2.638 -1.667 1.00 0.00 C ATOM 0 H ILE A 29 -9.145 2.226 -3.012 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.643 0.110 -4.080 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.777 1.312 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.632 1.472 -3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.885 2.676 -3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.682 0.104 -0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.040 -1.012 -1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.816 -0.763 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.795 3.381 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.064 3.131 -0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.790 1.908 -1.161 1.00 0.00 H new ATOM 440 N SER A 30 -9.917 -0.729 -1.835 1.00 0.00 N ATOM 441 CA SER A 30 -10.647 -1.864 -1.285 1.00 0.00 C ATOM 442 C SER A 30 -11.346 -2.654 -2.394 1.00 0.00 C ATOM 443 O SER A 30 -11.485 -3.875 -2.308 1.00 0.00 O ATOM 444 CB SER A 30 -11.644 -1.410 -0.205 1.00 0.00 C ATOM 445 OG SER A 30 -12.607 -0.506 -0.727 1.00 0.00 O ATOM 0 H SER A 30 -10.251 0.184 -1.525 1.00 0.00 H new ATOM 0 HA SER A 30 -9.927 -2.529 -0.808 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.150 -2.280 0.212 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.103 -0.934 0.613 1.00 0.00 H new ATOM 0 HG SER A 30 -12.237 0.402 -0.727 1.00 0.00 H new ATOM 451 N ASN A 31 -11.796 -1.948 -3.428 1.00 0.00 N ATOM 452 CA ASN A 31 -12.420 -2.594 -4.578 1.00 0.00 C ATOM 453 C ASN A 31 -11.394 -3.359 -5.413 1.00 0.00 C ATOM 454 O ASN A 31 -11.741 -4.309 -6.117 1.00 0.00 O ATOM 455 CB ASN A 31 -13.174 -1.586 -5.449 1.00 0.00 C ATOM 456 CG ASN A 31 -14.452 -1.071 -4.799 1.00 0.00 C ATOM 457 OD1 ASN A 31 -14.827 0.084 -4.982 1.00 0.00 O ATOM 458 ND2 ASN A 31 -15.135 -1.922 -4.048 1.00 0.00 N ATOM 0 H ASN A 31 -11.740 -0.932 -3.493 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.143 -3.310 -4.188 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.519 -0.742 -5.667 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -13.421 -2.053 -6.403 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.002 -1.625 -3.600 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.794 -2.874 -3.918 1.00 0.00 H new ATOM 465 N LEU A 32 -10.137 -2.935 -5.345 1.00 0.00 N ATOM 466 CA LEU A 32 -9.063 -3.596 -6.084 1.00 0.00 C ATOM 467 C LEU A 32 -8.752 -4.968 -5.500 1.00 0.00 C ATOM 468 O LEU A 32 -8.871 -5.189 -4.292 1.00 0.00 O ATOM 469 CB LEU A 32 -7.787 -2.752 -6.084 1.00 0.00 C ATOM 470 CG LEU A 32 -7.866 -1.386 -6.752 1.00 0.00 C ATOM 471 CD1 LEU A 32 -6.537 -0.662 -6.607 1.00 0.00 C ATOM 472 CD2 LEU A 32 -8.236 -1.529 -8.219 1.00 0.00 C ATOM 0 H LEU A 32 -9.835 -2.137 -4.786 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.413 -3.715 -7.109 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.476 -2.606 -5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.001 -3.325 -6.575 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.643 -0.800 -6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.600 0.315 -7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.307 -0.532 -5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.750 -1.249 -7.080 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.288 -0.542 -8.679 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.481 -2.128 -8.728 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.206 -2.020 -8.304 1.00 0.00 H new ATOM 484 N LYS A 33 -8.374 -5.885 -6.364 1.00 0.00 N ATOM 485 CA LYS A 33 -8.019 -7.226 -5.957 1.00 0.00 C ATOM 486 C LYS A 33 -6.544 -7.292 -5.564 1.00 0.00 C ATOM 487 O LYS A 33 -5.678 -6.821 -6.300 1.00 0.00 O ATOM 488 CB LYS A 33 -8.329 -8.213 -7.086 1.00 0.00 C ATOM 489 CG LYS A 33 -8.053 -9.668 -6.744 1.00 0.00 C ATOM 490 CD LYS A 33 -8.428 -10.587 -7.898 1.00 0.00 C ATOM 491 CE LYS A 33 -9.935 -10.594 -8.130 1.00 0.00 C ATOM 492 NZ LYS A 33 -10.330 -11.529 -9.208 1.00 0.00 N ATOM 0 H LYS A 33 -8.304 -5.721 -7.368 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.612 -7.501 -5.084 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.378 -8.111 -7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.740 -7.941 -7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.997 -9.794 -6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.617 -9.948 -5.855 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.919 -10.262 -8.805 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.085 -11.600 -7.686 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.442 -10.872 -7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.266 -9.587 -8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.362 -11.501 -9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.868 -11.249 -10.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.038 -12.494 -8.955 1.00 0.00 H new ATOM 506 N GLY A 34 -6.263 -7.872 -4.409 1.00 0.00 N ATOM 507 CA GLY A 34 -4.893 -7.980 -3.953 1.00 0.00 C ATOM 508 C GLY A 34 -4.601 -7.097 -2.756 1.00 0.00 C ATOM 509 O GLY A 34 -3.445 -6.960 -2.346 1.00 0.00 O ATOM 0 H GLY A 34 -6.959 -8.270 -3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.682 -9.017 -3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.221 -7.712 -4.769 1.00 0.00 H new ATOM 513 N ILE A 35 -5.639 -6.489 -2.202 1.00 0.00 N ATOM 514 CA ILE A 35 -5.482 -5.635 -1.034 1.00 0.00 C ATOM 515 C ILE A 35 -5.503 -6.462 0.250 1.00 0.00 C ATOM 516 O ILE A 35 -6.449 -7.209 0.510 1.00 0.00 O ATOM 517 CB ILE A 35 -6.580 -4.524 -0.970 1.00 0.00 C ATOM 518 CG1 ILE A 35 -6.486 -3.726 0.342 1.00 0.00 C ATOM 519 CG2 ILE A 35 -7.973 -5.114 -1.140 1.00 0.00 C ATOM 520 CD1 ILE A 35 -5.182 -2.978 0.520 1.00 0.00 C ATOM 0 H ILE A 35 -6.597 -6.571 -2.541 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.513 -5.144 -1.127 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.401 -3.838 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.309 -3.013 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.617 -4.410 1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.714 -4.317 -1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.041 -5.614 -2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.162 -5.835 -0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.197 -2.442 1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.353 -3.686 0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.056 -2.267 -0.297 1.00 0.00 H new ATOM 532 N ILE A 36 -4.451 -6.342 1.038 1.00 0.00 N ATOM 533 CA ILE A 36 -4.375 -7.052 2.294 1.00 0.00 C ATOM 534 C ILE A 36 -4.889 -6.168 3.425 1.00 0.00 C ATOM 535 O ILE A 36 -5.879 -6.499 4.080 1.00 0.00 O ATOM 536 CB ILE A 36 -2.928 -7.515 2.595 1.00 0.00 C ATOM 537 CG1 ILE A 36 -2.435 -8.447 1.479 1.00 0.00 C ATOM 538 CG2 ILE A 36 -2.860 -8.218 3.950 1.00 0.00 C ATOM 539 CD1 ILE A 36 -0.966 -8.798 1.574 1.00 0.00 C ATOM 0 H ILE A 36 -3.640 -5.760 0.828 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.002 -7.941 2.217 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.280 -6.639 2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.020 -9.366 1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.623 -7.974 0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.836 -8.536 4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.181 -7.531 4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.515 -9.089 3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.696 -9.459 0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.370 -7.887 1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.773 -9.301 2.521 1.00 0.00 H new ATOM 551 N SER A 37 -4.232 -5.033 3.628 1.00 0.00 N ATOM 552 CA SER A 37 -4.627 -4.085 4.662 1.00 0.00 C ATOM 553 C SER A 37 -4.022 -2.708 4.390 1.00 0.00 C ATOM 554 O SER A 37 -3.096 -2.579 3.579 1.00 0.00 O ATOM 555 CB SER A 37 -4.210 -4.602 6.045 1.00 0.00 C ATOM 556 OG SER A 37 -2.803 -4.756 6.135 1.00 0.00 O ATOM 0 H SER A 37 -3.417 -4.745 3.086 1.00 0.00 H new ATOM 0 HA SER A 37 -5.712 -3.985 4.646 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.552 -3.908 6.813 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.696 -5.558 6.240 1.00 0.00 H new ATOM 0 HG SER A 37 -2.566 -5.085 7.027 1.00 0.00 H new ATOM 562 N MET A 38 -4.544 -1.681 5.052 1.00 0.00 N ATOM 563 CA MET A 38 -4.032 -0.327 4.882 1.00 0.00 C ATOM 564 C MET A 38 -4.242 0.497 6.149 1.00 0.00 C ATOM 565 O MET A 38 -5.125 0.202 6.957 1.00 0.00 O ATOM 566 CB MET A 38 -4.699 0.367 3.679 1.00 0.00 C ATOM 567 CG MET A 38 -6.203 0.559 3.822 1.00 0.00 C ATOM 568 SD MET A 38 -6.954 1.356 2.385 1.00 0.00 S ATOM 569 CE MET A 38 -6.266 3.007 2.507 1.00 0.00 C ATOM 0 H MET A 38 -5.320 -1.760 5.710 1.00 0.00 H new ATOM 0 HA MET A 38 -2.962 -0.398 4.689 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.232 1.341 3.532 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.503 -0.219 2.781 1.00 0.00 H new ATOM 0 HG2 MET A 38 -6.674 -0.411 3.980 1.00 0.00 H new ATOM 0 HG3 MET A 38 -6.404 1.159 4.710 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.817 3.680 1.850 1.00 0.00 H new ATOM 0 HE2 MET A 38 -6.344 3.359 3.536 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.218 2.987 2.209 1.00 0.00 H new ATOM 579 N LYS A 39 -3.419 1.516 6.318 1.00 0.00 N ATOM 580 CA LYS A 39 -3.500 2.405 7.463 1.00 0.00 C ATOM 581 C LYS A 39 -3.167 3.824 7.034 1.00 0.00 C ATOM 582 O LYS A 39 -2.248 4.036 6.250 1.00 0.00 O ATOM 583 CB LYS A 39 -2.534 1.959 8.565 1.00 0.00 C ATOM 584 CG LYS A 39 -2.611 2.814 9.822 1.00 0.00 C ATOM 585 CD LYS A 39 -1.657 2.327 10.898 1.00 0.00 C ATOM 586 CE LYS A 39 -1.753 3.196 12.142 1.00 0.00 C ATOM 587 NZ LYS A 39 -0.840 2.741 13.219 1.00 0.00 N ATOM 0 H LYS A 39 -2.673 1.751 5.663 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.516 2.371 7.857 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.747 0.923 8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.515 1.987 8.178 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.378 3.849 9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.630 2.801 10.208 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.888 1.293 11.153 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.636 2.341 10.518 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.517 4.228 11.881 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.779 3.187 12.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.941 3.364 14.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.080 1.766 13.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.142 2.774 12.879 1.00 0.00 H new ATOM 601 N VAL A 40 -3.905 4.783 7.539 1.00 0.00 N ATOM 602 CA VAL A 40 -3.680 6.169 7.193 1.00 0.00 C ATOM 603 C VAL A 40 -3.040 6.912 8.357 1.00 0.00 C ATOM 604 O VAL A 40 -3.565 6.913 9.476 1.00 0.00 O ATOM 605 CB VAL A 40 -5.001 6.875 6.799 1.00 0.00 C ATOM 606 CG1 VAL A 40 -4.750 8.336 6.447 1.00 0.00 C ATOM 607 CG2 VAL A 40 -5.670 6.150 5.640 1.00 0.00 C ATOM 0 H VAL A 40 -4.671 4.629 8.195 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.007 6.185 6.335 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.673 6.844 7.657 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.692 8.811 6.174 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.321 8.849 7.308 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.057 8.394 5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.596 6.661 5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.002 6.146 4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.892 5.124 5.932 1.00 0.00 H new ATOM 617 N SER A 41 -1.907 7.525 8.098 1.00 0.00 N ATOM 618 CA SER A 41 -1.215 8.285 9.100 1.00 0.00 C ATOM 619 C SER A 41 -1.510 9.761 8.930 1.00 0.00 C ATOM 620 O SER A 41 -1.048 10.397 7.980 1.00 0.00 O ATOM 621 CB SER A 41 0.297 8.037 9.020 1.00 0.00 C ATOM 622 OG SER A 41 1.006 8.888 9.911 1.00 0.00 O ATOM 0 H SER A 41 -1.445 7.508 7.189 1.00 0.00 H new ATOM 0 HA SER A 41 -1.566 7.963 10.080 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.510 6.996 9.261 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.642 8.206 8.000 1.00 0.00 H new ATOM 0 HG SER A 41 1.967 8.708 9.841 1.00 0.00 H new ATOM 628 N LEU A 42 -2.291 10.297 9.838 1.00 0.00 N ATOM 629 CA LEU A 42 -2.608 11.708 9.839 1.00 0.00 C ATOM 630 C LEU A 42 -1.365 12.505 10.198 1.00 0.00 C ATOM 631 O LEU A 42 -1.154 13.617 9.709 1.00 0.00 O ATOM 632 CB LEU A 42 -3.735 11.999 10.833 1.00 0.00 C ATOM 633 CG LEU A 42 -5.093 11.373 10.497 1.00 0.00 C ATOM 634 CD1 LEU A 42 -6.085 11.621 11.619 1.00 0.00 C ATOM 635 CD2 LEU A 42 -5.629 11.920 9.180 1.00 0.00 C ATOM 0 H LEU A 42 -2.724 9.770 10.596 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.946 12.001 8.845 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.427 11.647 11.817 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.861 13.079 10.906 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.955 10.297 10.389 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.044 11.170 11.363 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.710 11.178 12.541 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.215 12.694 11.759 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.594 11.462 8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.750 13.001 9.257 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.928 11.689 8.378 1.00 0.00 H new ATOM 647 N GLU A 43 -0.543 11.910 11.057 1.00 0.00 N ATOM 648 CA GLU A 43 0.672 12.537 11.540 1.00 0.00 C ATOM 649 C GLU A 43 1.639 12.828 10.393 1.00 0.00 C ATOM 650 O GLU A 43 2.195 13.914 10.304 1.00 0.00 O ATOM 651 CB GLU A 43 1.352 11.623 12.563 1.00 0.00 C ATOM 652 CG GLU A 43 2.497 12.279 13.308 1.00 0.00 C ATOM 653 CD GLU A 43 2.026 13.435 14.158 1.00 0.00 C ATOM 654 OE1 GLU A 43 1.492 13.187 15.262 1.00 0.00 O ATOM 655 OE2 GLU A 43 2.160 14.595 13.724 1.00 0.00 O ATOM 0 H GLU A 43 -0.706 10.977 11.436 1.00 0.00 H new ATOM 0 HA GLU A 43 0.402 13.483 12.009 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.608 11.285 13.285 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.725 10.736 12.051 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.989 11.540 13.940 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.240 12.633 12.593 1.00 0.00 H new ATOM 662 N GLN A 44 1.828 11.861 9.509 1.00 0.00 N ATOM 663 CA GLN A 44 2.747 12.044 8.393 1.00 0.00 C ATOM 664 C GLN A 44 2.031 12.554 7.154 1.00 0.00 C ATOM 665 O GLN A 44 2.669 12.989 6.198 1.00 0.00 O ATOM 666 CB GLN A 44 3.466 10.737 8.063 1.00 0.00 C ATOM 667 CG GLN A 44 4.409 10.259 9.149 1.00 0.00 C ATOM 668 CD GLN A 44 5.009 8.902 8.839 1.00 0.00 C ATOM 669 OE1 GLN A 44 4.395 8.072 8.166 1.00 0.00 O ATOM 670 NE2 GLN A 44 6.205 8.665 9.329 1.00 0.00 N ATOM 0 H GLN A 44 1.365 10.953 9.539 1.00 0.00 H new ATOM 0 HA GLN A 44 3.478 12.791 8.701 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.722 9.963 7.876 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.029 10.868 7.139 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.210 10.987 9.276 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.872 10.208 10.096 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.680 9.379 9.881 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.658 7.767 9.157 1.00 0.00 H new ATOM 679 N GLY A 45 0.707 12.506 7.172 1.00 0.00 N ATOM 680 CA GLY A 45 -0.055 12.905 6.006 1.00 0.00 C ATOM 681 C GLY A 45 0.121 11.900 4.889 1.00 0.00 C ATOM 682 O GLY A 45 0.029 12.233 3.708 1.00 0.00 O ATOM 0 H GLY A 45 0.149 12.200 7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.110 12.989 6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.270 13.890 5.671 1.00 0.00 H new ATOM 686 N SER A 46 0.404 10.670 5.274 1.00 0.00 N ATOM 687 CA SER A 46 0.655 9.604 4.337 1.00 0.00 C ATOM 688 C SER A 46 -0.076 8.340 4.762 1.00 0.00 C ATOM 689 O SER A 46 -0.429 8.183 5.925 1.00 0.00 O ATOM 690 CB SER A 46 2.157 9.345 4.246 1.00 0.00 C ATOM 691 OG SER A 46 2.844 10.522 3.848 1.00 0.00 O ATOM 0 H SER A 46 0.465 10.386 6.252 1.00 0.00 H new ATOM 0 HA SER A 46 0.284 9.899 3.355 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.532 9.007 5.212 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.351 8.545 3.531 1.00 0.00 H new ATOM 0 HG SER A 46 3.805 10.338 3.796 1.00 0.00 H new ATOM 697 N ALA A 47 -0.307 7.456 3.825 1.00 0.00 N ATOM 698 CA ALA A 47 -0.984 6.219 4.107 1.00 0.00 C ATOM 699 C ALA A 47 -0.084 5.047 3.779 1.00 0.00 C ATOM 700 O ALA A 47 0.687 5.095 2.825 1.00 0.00 O ATOM 701 CB ALA A 47 -2.283 6.132 3.317 1.00 0.00 C ATOM 0 H ALA A 47 -0.032 7.574 2.850 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.226 6.186 5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.783 5.190 3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.933 6.963 3.593 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.064 6.181 2.250 1.00 0.00 H new ATOM 707 N THR A 48 -0.168 4.013 4.575 1.00 0.00 N ATOM 708 CA THR A 48 0.615 2.827 4.367 1.00 0.00 C ATOM 709 C THR A 48 -0.299 1.707 3.925 1.00 0.00 C ATOM 710 O THR A 48 -1.311 1.436 4.566 1.00 0.00 O ATOM 711 CB THR A 48 1.340 2.421 5.660 1.00 0.00 C ATOM 712 OG1 THR A 48 2.178 3.497 6.081 1.00 0.00 O ATOM 713 CG2 THR A 48 2.193 1.175 5.443 1.00 0.00 C ATOM 0 H THR A 48 -0.783 3.971 5.387 1.00 0.00 H new ATOM 0 HA THR A 48 1.364 3.025 3.601 1.00 0.00 H new ATOM 0 HB THR A 48 0.593 2.198 6.422 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.643 3.246 6.907 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.694 0.911 6.374 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.556 0.349 5.126 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.939 1.374 4.673 1.00 0.00 H new ATOM 721 N VAL A 49 0.039 1.073 2.837 1.00 0.00 N ATOM 722 CA VAL A 49 -0.786 0.021 2.314 1.00 0.00 C ATOM 723 C VAL A 49 0.020 -1.245 2.075 1.00 0.00 C ATOM 724 O VAL A 49 1.145 -1.201 1.560 1.00 0.00 O ATOM 725 CB VAL A 49 -1.502 0.466 1.002 1.00 0.00 C ATOM 726 CG1 VAL A 49 -0.497 0.878 -0.067 1.00 0.00 C ATOM 727 CG2 VAL A 49 -2.423 -0.629 0.480 1.00 0.00 C ATOM 0 H VAL A 49 0.881 1.267 2.295 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.548 -0.197 3.062 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.112 1.337 1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.029 1.182 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.103 1.711 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.155 0.035 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.908 -0.290 -0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.840 -1.526 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.181 -0.855 1.230 1.00 0.00 H new ATOM 737 N LYS A 50 -0.541 -2.359 2.497 1.00 0.00 N ATOM 738 CA LYS A 50 0.051 -3.646 2.267 1.00 0.00 C ATOM 739 C LYS A 50 -0.743 -4.308 1.158 1.00 0.00 C ATOM 740 O LYS A 50 -1.934 -4.611 1.320 1.00 0.00 O ATOM 741 CB LYS A 50 0.033 -4.469 3.561 1.00 0.00 C ATOM 742 CG LYS A 50 0.727 -5.817 3.468 1.00 0.00 C ATOM 743 CD LYS A 50 0.758 -6.499 4.826 1.00 0.00 C ATOM 744 CE LYS A 50 1.454 -7.847 4.765 1.00 0.00 C ATOM 745 NZ LYS A 50 1.534 -8.483 6.103 1.00 0.00 N ATOM 0 H LYS A 50 -1.422 -2.390 3.010 1.00 0.00 H new ATOM 0 HA LYS A 50 1.095 -3.562 1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.505 -3.887 4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.003 -4.629 3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.208 -6.450 2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.744 -5.684 3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.270 -5.858 5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.261 -6.632 5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.916 -8.504 4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.459 -7.720 4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.015 -9.401 6.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.069 -7.867 6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.574 -8.627 6.477 1.00 0.00 H new ATOM 759 N TYR A 51 -0.093 -4.526 0.045 1.00 0.00 N ATOM 760 CA TYR A 51 -0.767 -4.964 -1.156 1.00 0.00 C ATOM 761 C TYR A 51 0.113 -5.954 -1.903 1.00 0.00 C ATOM 762 O TYR A 51 1.303 -6.080 -1.605 1.00 0.00 O ATOM 763 CB TYR A 51 -1.020 -3.720 -2.032 1.00 0.00 C ATOM 764 CG TYR A 51 -2.113 -3.857 -3.067 1.00 0.00 C ATOM 765 CD1 TYR A 51 -1.853 -4.376 -4.327 1.00 0.00 C ATOM 766 CD2 TYR A 51 -3.407 -3.452 -2.782 1.00 0.00 C ATOM 767 CE1 TYR A 51 -2.852 -4.490 -5.267 1.00 0.00 C ATOM 768 CE2 TYR A 51 -4.412 -3.561 -3.718 1.00 0.00 C ATOM 769 CZ TYR A 51 -4.130 -4.080 -4.957 1.00 0.00 C ATOM 770 OH TYR A 51 -5.128 -4.191 -5.887 1.00 0.00 O ATOM 0 H TYR A 51 0.915 -4.406 -0.058 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.709 -5.455 -0.912 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.267 -2.883 -1.379 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.092 -3.463 -2.543 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.851 -4.695 -4.574 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.632 -3.043 -1.808 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.635 -4.899 -6.243 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.415 -3.240 -3.478 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.318 -5.138 -6.052 1.00 0.00 H new ATOM 780 N VAL A 52 -0.466 -6.669 -2.848 1.00 0.00 N ATOM 781 CA VAL A 52 0.303 -7.581 -3.666 1.00 0.00 C ATOM 782 C VAL A 52 0.451 -6.994 -5.070 1.00 0.00 C ATOM 783 O VAL A 52 -0.457 -7.109 -5.898 1.00 0.00 O ATOM 784 CB VAL A 52 -0.377 -8.966 -3.777 1.00 0.00 C ATOM 785 CG1 VAL A 52 0.496 -9.935 -4.565 1.00 0.00 C ATOM 786 CG2 VAL A 52 -0.701 -9.526 -2.399 1.00 0.00 C ATOM 0 H VAL A 52 -1.462 -6.635 -3.066 1.00 0.00 H new ATOM 0 HA VAL A 52 1.276 -7.714 -3.194 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.315 -8.839 -4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.002 -10.902 -4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.660 -9.543 -5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.455 -10.054 -4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.178 -10.500 -2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.219 -9.633 -1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.376 -8.846 -1.879 1.00 0.00 H new ATOM 796 N PRO A 53 1.602 -6.350 -5.350 1.00 0.00 N ATOM 797 CA PRO A 53 1.885 -5.730 -6.657 1.00 0.00 C ATOM 798 C PRO A 53 1.870 -6.748 -7.784 1.00 0.00 C ATOM 799 O PRO A 53 1.649 -6.408 -8.945 1.00 0.00 O ATOM 800 CB PRO A 53 3.293 -5.147 -6.478 1.00 0.00 C ATOM 801 CG PRO A 53 3.438 -4.985 -5.009 1.00 0.00 C ATOM 802 CD PRO A 53 2.721 -6.155 -4.413 1.00 0.00 C ATOM 0 HA PRO A 53 1.136 -4.986 -6.930 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.054 -5.814 -6.882 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.398 -4.194 -6.996 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.488 -4.975 -4.716 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.004 -4.044 -4.672 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.360 -7.036 -4.354 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.372 -5.946 -3.402 1.00 0.00 H new ATOM 810 N SER A 54 2.130 -7.993 -7.432 1.00 0.00 N ATOM 811 CA SER A 54 2.151 -9.071 -8.390 1.00 0.00 C ATOM 812 C SER A 54 0.774 -9.249 -9.039 1.00 0.00 C ATOM 813 O SER A 54 0.677 -9.487 -10.244 1.00 0.00 O ATOM 814 CB SER A 54 2.591 -10.352 -7.698 1.00 0.00 C ATOM 815 OG SER A 54 3.897 -10.199 -7.162 1.00 0.00 O ATOM 0 H SER A 54 2.332 -8.280 -6.474 1.00 0.00 H new ATOM 0 HA SER A 54 2.861 -8.831 -9.182 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.891 -10.602 -6.901 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.576 -11.180 -8.407 1.00 0.00 H new ATOM 0 HG SER A 54 4.168 -11.030 -6.718 1.00 0.00 H new ATOM 821 N VAL A 55 -0.290 -9.144 -8.231 1.00 0.00 N ATOM 822 CA VAL A 55 -1.650 -9.246 -8.752 1.00 0.00 C ATOM 823 C VAL A 55 -1.938 -8.071 -9.682 1.00 0.00 C ATOM 824 O VAL A 55 -2.386 -8.250 -10.819 1.00 0.00 O ATOM 825 CB VAL A 55 -2.696 -9.269 -7.607 1.00 0.00 C ATOM 826 CG1 VAL A 55 -4.115 -9.197 -8.160 1.00 0.00 C ATOM 827 CG2 VAL A 55 -2.521 -10.513 -6.750 1.00 0.00 C ATOM 0 H VAL A 55 -0.231 -8.990 -7.224 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.728 -10.183 -9.303 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.532 -8.391 -6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.828 -9.215 -7.336 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.238 -8.274 -8.727 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.295 -10.051 -8.814 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.263 -10.512 -5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.653 -11.402 -7.367 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.521 -10.518 -6.316 1.00 0.00 H new ATOM 837 N VAL A 56 -1.640 -6.877 -9.198 1.00 0.00 N ATOM 838 CA VAL A 56 -1.804 -5.660 -9.971 1.00 0.00 C ATOM 839 C VAL A 56 -0.865 -4.577 -9.432 1.00 0.00 C ATOM 840 O VAL A 56 -0.573 -4.538 -8.237 1.00 0.00 O ATOM 841 CB VAL A 56 -3.283 -5.165 -9.984 1.00 0.00 C ATOM 842 CG1 VAL A 56 -3.755 -4.798 -8.595 1.00 0.00 C ATOM 843 CG2 VAL A 56 -3.467 -3.997 -10.947 1.00 0.00 C ATOM 0 H VAL A 56 -1.277 -6.725 -8.257 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.542 -5.880 -11.006 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.899 -5.992 -10.337 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.789 -4.457 -8.640 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.689 -5.671 -7.946 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.128 -4.001 -8.196 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.508 -3.675 -10.933 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.827 -3.169 -10.642 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.198 -4.311 -11.955 1.00 0.00 H new ATOM 853 N CYS A 57 -0.383 -3.723 -10.315 1.00 0.00 N ATOM 854 CA CYS A 57 0.585 -2.697 -9.953 1.00 0.00 C ATOM 855 C CYS A 57 -0.021 -1.613 -9.054 1.00 0.00 C ATOM 856 O CYS A 57 -1.228 -1.353 -9.087 1.00 0.00 O ATOM 857 CB CYS A 57 1.136 -2.061 -11.220 1.00 0.00 C ATOM 858 SG CYS A 57 -0.123 -1.214 -12.199 1.00 0.00 S ATOM 0 H CYS A 57 -0.648 -3.718 -11.300 1.00 0.00 H new ATOM 0 HA CYS A 57 1.383 -3.178 -9.387 1.00 0.00 H new ATOM 0 HB2 CYS A 57 1.917 -1.350 -10.951 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.604 -2.832 -11.832 1.00 0.00 H new ATOM 0 HG CYS A 57 0.426 -0.698 -13.259 1.00 0.00 H new ATOM 864 N LEU A 58 0.850 -0.950 -8.299 1.00 0.00 N ATOM 865 CA LEU A 58 0.465 0.126 -7.388 1.00 0.00 C ATOM 866 C LEU A 58 0.201 1.411 -8.164 1.00 0.00 C ATOM 867 O LEU A 58 -0.354 2.377 -7.633 1.00 0.00 O ATOM 868 CB LEU A 58 1.550 0.354 -6.330 1.00 0.00 C ATOM 869 CG LEU A 58 1.854 -0.843 -5.420 1.00 0.00 C ATOM 870 CD1 LEU A 58 2.977 -0.508 -4.453 1.00 0.00 C ATOM 871 CD2 LEU A 58 0.605 -1.272 -4.661 1.00 0.00 C ATOM 0 H LEU A 58 1.851 -1.145 -8.301 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.453 -0.168 -6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.470 0.645 -6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.251 1.195 -5.705 1.00 0.00 H new ATOM 0 HG LEU A 58 2.177 -1.675 -6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.178 -1.369 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.876 -0.254 -5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.683 0.340 -3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.842 -2.122 -4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.250 -0.444 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.172 -1.557 -5.370 1.00 0.00 H new ATOM 883 N GLN A 59 0.602 1.404 -9.429 1.00 0.00 N ATOM 884 CA GLN A 59 0.448 2.555 -10.311 1.00 0.00 C ATOM 885 C GLN A 59 -1.019 2.940 -10.410 1.00 0.00 C ATOM 886 O GLN A 59 -1.361 4.122 -10.438 1.00 0.00 O ATOM 887 CB GLN A 59 0.953 2.205 -11.706 1.00 0.00 C ATOM 888 CG GLN A 59 2.445 1.962 -11.790 1.00 0.00 C ATOM 889 CD GLN A 59 2.879 1.568 -13.186 1.00 0.00 C ATOM 890 OE1 GLN A 59 2.300 2.013 -14.177 1.00 0.00 O ATOM 891 NE2 GLN A 59 3.882 0.719 -13.275 1.00 0.00 N ATOM 0 H GLN A 59 1.044 0.599 -9.873 1.00 0.00 H new ATOM 0 HA GLN A 59 1.022 3.387 -9.903 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.432 1.313 -12.054 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.690 3.014 -12.388 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.977 2.864 -11.486 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.724 1.176 -11.088 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.335 0.374 -12.429 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.206 0.406 -14.190 1.00 0.00 H new ATOM 900 N GLN A 60 -1.881 1.929 -10.437 1.00 0.00 N ATOM 901 CA GLN A 60 -3.316 2.144 -10.537 1.00 0.00 C ATOM 902 C GLN A 60 -3.811 2.932 -9.329 1.00 0.00 C ATOM 903 O GLN A 60 -4.637 3.827 -9.458 1.00 0.00 O ATOM 904 CB GLN A 60 -4.051 0.801 -10.610 1.00 0.00 C ATOM 905 CG GLN A 60 -3.786 0.012 -11.884 1.00 0.00 C ATOM 906 CD GLN A 60 -4.181 0.765 -13.137 1.00 0.00 C ATOM 907 OE1 GLN A 60 -3.363 1.451 -13.744 1.00 0.00 O ATOM 908 NE2 GLN A 60 -5.429 0.642 -13.531 1.00 0.00 N ATOM 0 H GLN A 60 -1.606 0.948 -10.391 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.520 2.711 -11.446 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.760 0.194 -9.753 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.123 0.981 -10.524 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.727 -0.239 -11.936 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.335 -0.929 -11.843 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.077 0.062 -12.998 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.749 1.126 -14.370 1.00 0.00 H new ATOM 917 N VAL A 61 -3.268 2.603 -8.162 1.00 0.00 N ATOM 918 CA VAL A 61 -3.635 3.270 -6.911 1.00 0.00 C ATOM 919 C VAL A 61 -3.294 4.759 -6.971 1.00 0.00 C ATOM 920 O VAL A 61 -4.104 5.614 -6.598 1.00 0.00 O ATOM 921 CB VAL A 61 -2.913 2.622 -5.701 1.00 0.00 C ATOM 922 CG1 VAL A 61 -3.140 3.427 -4.428 1.00 0.00 C ATOM 923 CG2 VAL A 61 -3.368 1.182 -5.515 1.00 0.00 C ATOM 0 H VAL A 61 -2.565 1.872 -8.053 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.711 3.155 -6.781 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.843 2.622 -5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.622 2.948 -3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.754 4.437 -4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.207 3.473 -4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.850 0.744 -4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.443 1.160 -5.338 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.137 0.609 -6.413 1.00 0.00 H new ATOM 933 N CYS A 62 -2.100 5.060 -7.463 1.00 0.00 N ATOM 934 CA CYS A 62 -1.654 6.435 -7.611 1.00 0.00 C ATOM 935 C CYS A 62 -2.588 7.187 -8.556 1.00 0.00 C ATOM 936 O CYS A 62 -2.930 8.350 -8.328 1.00 0.00 O ATOM 937 CB CYS A 62 -0.215 6.479 -8.134 1.00 0.00 C ATOM 938 SG CYS A 62 0.472 8.142 -8.265 1.00 0.00 S ATOM 0 H CYS A 62 -1.420 4.364 -7.768 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.678 6.918 -6.634 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.418 5.887 -7.473 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.182 6.006 -9.115 1.00 0.00 H new ATOM 0 HG CYS A 62 1.690 8.074 -8.713 1.00 0.00 H new ATOM 944 N HIS A 63 -2.992 6.509 -9.616 1.00 0.00 N ATOM 945 CA HIS A 63 -3.893 7.082 -10.609 1.00 0.00 C ATOM 946 C HIS A 63 -5.256 7.378 -9.993 1.00 0.00 C ATOM 947 O HIS A 63 -5.886 8.379 -10.315 1.00 0.00 O ATOM 948 CB HIS A 63 -4.052 6.135 -11.803 1.00 0.00 C ATOM 949 CG HIS A 63 -2.810 5.984 -12.626 1.00 0.00 C ATOM 950 ND1 HIS A 63 -2.511 4.841 -13.336 1.00 0.00 N ATOM 951 CD2 HIS A 63 -1.787 6.840 -12.853 1.00 0.00 C ATOM 952 CE1 HIS A 63 -1.358 5.002 -13.959 1.00 0.00 C ATOM 953 NE2 HIS A 63 -0.901 6.205 -13.683 1.00 0.00 N ATOM 0 H HIS A 63 -2.708 5.550 -9.815 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.458 8.018 -10.959 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.356 5.154 -11.438 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.857 6.502 -12.441 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -1.687 7.839 -12.454 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.872 4.271 -14.588 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.028 6.601 -14.031 1.00 0.00 H new ATOM 961 N GLN A 64 -5.696 6.501 -9.098 1.00 0.00 N ATOM 962 CA GLN A 64 -7.004 6.626 -8.460 1.00 0.00 C ATOM 963 C GLN A 64 -7.130 7.921 -7.663 1.00 0.00 C ATOM 964 O GLN A 64 -8.146 8.611 -7.747 1.00 0.00 O ATOM 965 CB GLN A 64 -7.240 5.437 -7.535 1.00 0.00 C ATOM 966 CG GLN A 64 -7.436 4.121 -8.264 1.00 0.00 C ATOM 967 CD GLN A 64 -7.479 2.941 -7.321 1.00 0.00 C ATOM 968 OE1 GLN A 64 -6.862 2.955 -6.261 1.00 0.00 O ATOM 969 NE2 GLN A 64 -8.208 1.915 -7.698 1.00 0.00 N ATOM 0 H GLN A 64 -5.161 5.687 -8.795 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.755 6.645 -9.250 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.392 5.343 -6.857 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -8.119 5.635 -6.921 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.363 4.160 -8.835 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.626 3.981 -8.980 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.706 1.943 -8.588 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.276 1.091 -7.101 1.00 0.00 H new ATOM 978 N ILE A 65 -6.106 8.257 -6.903 1.00 0.00 N ATOM 979 CA ILE A 65 -6.143 9.475 -6.110 1.00 0.00 C ATOM 980 C ILE A 65 -5.913 10.721 -6.977 1.00 0.00 C ATOM 981 O ILE A 65 -6.562 11.756 -6.778 1.00 0.00 O ATOM 982 CB ILE A 65 -5.153 9.425 -4.920 1.00 0.00 C ATOM 983 CG1 ILE A 65 -5.299 10.674 -4.042 1.00 0.00 C ATOM 984 CG2 ILE A 65 -3.724 9.255 -5.402 1.00 0.00 C ATOM 985 CD1 ILE A 65 -4.588 10.575 -2.710 1.00 0.00 C ATOM 0 H ILE A 65 -5.247 7.713 -6.816 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.146 9.547 -5.689 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.398 8.555 -4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.912 11.536 -4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.358 10.859 -3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.052 9.223 -4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.638 8.326 -5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.454 10.094 -6.043 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.738 11.497 -2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.991 9.735 -2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.522 10.422 -2.877 1.00 0.00 H new ATOM 997 N GLY A 66 -5.010 10.604 -7.955 1.00 0.00 N ATOM 998 CA GLY A 66 -4.743 11.707 -8.868 1.00 0.00 C ATOM 999 C GLY A 66 -5.976 12.073 -9.669 1.00 0.00 C ATOM 1000 O GLY A 66 -6.237 13.248 -9.926 1.00 0.00 O ATOM 0 H GLY A 66 -4.459 9.764 -8.130 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.404 12.575 -8.303 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.935 11.432 -9.546 1.00 0.00 H new ATOM 1004 N ASP A 67 -6.733 11.051 -10.053 1.00 0.00 N ATOM 1005 CA ASP A 67 -7.990 11.214 -10.793 1.00 0.00 C ATOM 1006 C ASP A 67 -8.976 12.077 -10.017 1.00 0.00 C ATOM 1007 O ASP A 67 -9.714 12.875 -10.597 1.00 0.00 O ATOM 1008 CB ASP A 67 -8.608 9.842 -11.086 1.00 0.00 C ATOM 1009 CG ASP A 67 -9.970 9.930 -11.747 1.00 0.00 C ATOM 1010 OD1 ASP A 67 -10.058 10.436 -12.888 1.00 0.00 O ATOM 1011 OD2 ASP A 67 -10.955 9.467 -11.134 1.00 0.00 O ATOM 0 H ASP A 67 -6.495 10.078 -9.861 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.768 11.717 -11.734 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.934 9.277 -11.730 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.699 9.285 -10.154 1.00 0.00 H new ATOM 1016 N MET A 68 -8.978 11.917 -8.706 1.00 0.00 N ATOM 1017 CA MET A 68 -9.870 12.673 -7.838 1.00 0.00 C ATOM 1018 C MET A 68 -9.345 14.087 -7.573 1.00 0.00 C ATOM 1019 O MET A 68 -9.954 14.855 -6.828 1.00 0.00 O ATOM 1020 CB MET A 68 -10.113 11.927 -6.529 1.00 0.00 C ATOM 1021 CG MET A 68 -10.890 10.632 -6.707 1.00 0.00 C ATOM 1022 SD MET A 68 -12.510 10.892 -7.463 1.00 0.00 S ATOM 1023 CE MET A 68 -13.317 11.870 -6.196 1.00 0.00 C ATOM 0 H MET A 68 -8.367 11.265 -8.213 1.00 0.00 H new ATOM 0 HA MET A 68 -10.823 12.774 -8.358 1.00 0.00 H new ATOM 0 HB2 MET A 68 -9.153 11.705 -6.062 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.657 12.577 -5.844 1.00 0.00 H new ATOM 0 HG2 MET A 68 -10.310 9.947 -7.326 1.00 0.00 H new ATOM 0 HG3 MET A 68 -11.019 10.154 -5.736 1.00 0.00 H new ATOM 0 HE1 MET A 68 -14.393 11.874 -6.370 1.00 0.00 H new ATOM 0 HE2 MET A 68 -13.109 11.440 -5.216 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.940 12.892 -6.230 1.00 0.00 H new ATOM 1033 N GLY A 69 -8.215 14.424 -8.182 1.00 0.00 N ATOM 1034 CA GLY A 69 -7.667 15.761 -8.048 1.00 0.00 C ATOM 1035 C GLY A 69 -6.805 15.950 -6.818 1.00 0.00 C ATOM 1036 O GLY A 69 -6.599 17.080 -6.371 1.00 0.00 O ATOM 0 H GLY A 69 -7.667 13.794 -8.768 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.075 15.991 -8.934 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.487 16.478 -8.018 1.00 0.00 H new ATOM 1040 N PHE A 70 -6.329 14.861 -6.250 1.00 0.00 N ATOM 1041 CA PHE A 70 -5.445 14.939 -5.099 1.00 0.00 C ATOM 1042 C PHE A 70 -4.068 14.407 -5.470 1.00 0.00 C ATOM 1043 O PHE A 70 -3.954 13.376 -6.132 1.00 0.00 O ATOM 1044 CB PHE A 70 -6.017 14.152 -3.914 1.00 0.00 C ATOM 1045 CG PHE A 70 -7.326 14.681 -3.400 1.00 0.00 C ATOM 1046 CD1 PHE A 70 -7.356 15.742 -2.514 1.00 0.00 C ATOM 1047 CD2 PHE A 70 -8.526 14.115 -3.802 1.00 0.00 C ATOM 1048 CE1 PHE A 70 -8.555 16.232 -2.035 1.00 0.00 C ATOM 1049 CE2 PHE A 70 -9.729 14.599 -3.327 1.00 0.00 C ATOM 1050 CZ PHE A 70 -9.743 15.659 -2.442 1.00 0.00 C ATOM 0 H PHE A 70 -6.537 13.913 -6.563 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.358 15.983 -4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.150 13.112 -4.213 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.290 14.160 -3.102 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.429 16.194 -2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.520 13.286 -4.494 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.563 17.062 -1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -10.657 14.149 -3.647 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.682 16.039 -2.069 1.00 0.00 H new ATOM 1060 N GLU A 71 -3.027 15.112 -5.056 1.00 0.00 N ATOM 1061 CA GLU A 71 -1.669 14.698 -5.372 1.00 0.00 C ATOM 1062 C GLU A 71 -1.189 13.650 -4.387 1.00 0.00 C ATOM 1063 O GLU A 71 -1.465 13.739 -3.187 1.00 0.00 O ATOM 1064 CB GLU A 71 -0.709 15.890 -5.357 1.00 0.00 C ATOM 1065 CG GLU A 71 -1.045 16.979 -6.358 1.00 0.00 C ATOM 1066 CD GLU A 71 -0.002 18.075 -6.385 1.00 0.00 C ATOM 1067 OE1 GLU A 71 -0.072 19.004 -5.553 1.00 0.00 O ATOM 1068 OE2 GLU A 71 0.898 18.019 -7.251 1.00 0.00 O ATOM 0 H GLU A 71 -3.095 15.967 -4.504 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.681 14.272 -6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.702 16.323 -4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.301 15.530 -5.555 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.134 16.541 -7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.015 17.410 -6.111 1.00 0.00 H new ATOM 1075 N ALA A 72 -0.479 12.658 -4.889 1.00 0.00 N ATOM 1076 CA ALA A 72 0.043 11.607 -4.048 1.00 0.00 C ATOM 1077 C ALA A 72 1.353 11.078 -4.585 1.00 0.00 C ATOM 1078 O ALA A 72 1.592 11.100 -5.792 1.00 0.00 O ATOM 1079 CB ALA A 72 -0.960 10.485 -3.932 1.00 0.00 C ATOM 0 H ALA A 72 -0.252 12.561 -5.879 1.00 0.00 H new ATOM 0 HA ALA A 72 0.226 12.027 -3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.554 9.699 -3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.883 10.866 -3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.168 10.079 -4.922 1.00 0.00 H new ATOM 1085 N SER A 73 2.203 10.622 -3.692 1.00 0.00 N ATOM 1086 CA SER A 73 3.473 10.028 -4.085 1.00 0.00 C ATOM 1087 C SER A 73 3.705 8.737 -3.323 1.00 0.00 C ATOM 1088 O SER A 73 3.522 8.690 -2.106 1.00 0.00 O ATOM 1089 CB SER A 73 4.631 11.004 -3.849 1.00 0.00 C ATOM 1090 OG SER A 73 4.472 12.180 -4.627 1.00 0.00 O ATOM 0 H SER A 73 2.042 10.649 -2.685 1.00 0.00 H new ATOM 0 HA SER A 73 3.431 9.805 -5.151 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.680 11.267 -2.792 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.575 10.521 -4.102 1.00 0.00 H new ATOM 0 HG SER A 73 5.222 12.788 -4.458 1.00 0.00 H new ATOM 1096 N ILE A 74 4.117 7.705 -4.033 1.00 0.00 N ATOM 1097 CA ILE A 74 4.357 6.405 -3.434 1.00 0.00 C ATOM 1098 C ILE A 74 5.845 6.202 -3.195 1.00 0.00 C ATOM 1099 O ILE A 74 6.658 6.343 -4.113 1.00 0.00 O ATOM 1100 CB ILE A 74 3.822 5.258 -4.333 1.00 0.00 C ATOM 1101 CG1 ILE A 74 2.314 5.414 -4.560 1.00 0.00 C ATOM 1102 CG2 ILE A 74 4.130 3.897 -3.711 1.00 0.00 C ATOM 1103 CD1 ILE A 74 1.744 4.446 -5.578 1.00 0.00 C ATOM 0 H ILE A 74 4.294 7.742 -5.037 1.00 0.00 H new ATOM 0 HA ILE A 74 3.824 6.378 -2.484 1.00 0.00 H new ATOM 0 HB ILE A 74 4.326 5.316 -5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.797 5.274 -3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.109 6.433 -4.887 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.747 3.107 -4.357 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.208 3.784 -3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.655 3.828 -2.732 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.673 4.618 -5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.233 4.600 -6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.916 3.423 -5.243 1.00 0.00 H new ATOM 1115 N ALA A 75 6.194 5.884 -1.969 1.00 0.00 N ATOM 1116 CA ALA A 75 7.572 5.664 -1.598 1.00 0.00 C ATOM 1117 C ALA A 75 7.686 4.469 -0.669 1.00 0.00 C ATOM 1118 O ALA A 75 6.768 4.186 0.108 1.00 0.00 O ATOM 1119 CB ALA A 75 8.138 6.904 -0.930 1.00 0.00 C ATOM 0 H ALA A 75 5.531 5.771 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 75 8.147 5.457 -2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.178 6.726 -0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.084 7.746 -1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.559 7.131 -0.035 1.00 0.00 H new ATOM 1125 N GLU A 76 8.801 3.772 -0.760 1.00 0.00 N ATOM 1126 CA GLU A 76 9.066 2.612 0.072 1.00 0.00 C ATOM 1127 C GLU A 76 10.541 2.251 -0.023 1.00 0.00 C ATOM 1128 O GLU A 76 10.935 1.611 -1.023 1.00 0.00 O ATOM 1129 CB GLU A 76 8.191 1.423 -0.360 1.00 0.00 C ATOM 1130 CG GLU A 76 8.457 0.135 0.413 1.00 0.00 C ATOM 1131 CD GLU A 76 8.220 0.280 1.904 1.00 0.00 C ATOM 1132 OE1 GLU A 76 7.059 0.459 2.316 1.00 0.00 O ATOM 1133 OE2 GLU A 76 9.198 0.209 2.673 1.00 0.00 O ATOM 1134 OXT GLU A 76 11.309 2.633 0.881 1.00 0.00 O ATOM 0 H GLU A 76 9.552 3.993 -1.414 1.00 0.00 H new ATOM 0 HA GLU A 76 8.820 2.851 1.107 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.143 1.696 -0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.351 1.236 -1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.815 -0.655 0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.487 -0.178 0.243 1.00 0.00 H new