USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1018 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 47 ASN : amide:sc= -0.456 X(o=-1.6,f=-1.7) USER MOD Set 1.2: A 75 GLN : amide:sc= -1.13 X(o=-1.6,f=-1.9) USER MOD Set 2.1: A 14 ASN : amide:sc= -3.44! C(o=-4.9!,f=-9.4!) USER MOD Set 2.2: A 42 SER OG : rot -88:sc= 0.657 USER MOD Set 2.3: A 71 HIS : no HE2:sc= -2.13 K(o=-4.9,f=-9.6!) USER MOD Set 3.1: A 49 HIS : no HD1:sc= -0.529 X(o=-0.39,f=-0.4) USER MOD Set 3.2: A 52 SER OG : rot 175:sc= 0.141 USER MOD Set 4.1: A 27 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.61) USER MOD Set 4.2: A 31 HIS : no HD1:sc= 0 X(o=-0.32,f=-0.32) USER MOD Set 5.1: A 28 GLN : amide:sc= 0.135 K(o=0.23,f=-1.7) USER MOD Set 5.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 5.3: A 150 HIS : no HD1:sc= 0.0982 K(o=0.23,f=-2.7) USER MOD Set 6.1: A 11 CYS SG : rot -130:sc= -3.17! USER MOD Set 6.2: A 12 THR OG1 : rot 180:sc= 0.116 USER MOD Set 6.3: A 16 CYS SG : rot 180:sc= 1.03 USER MOD Set 6.4: A 45 THR OG1 : rot 150:sc= 0.00217 USER MOD Set 6.5: A 93 HIS : no HE2:sc= -2.51 K(o=-4.5,f=-5.6!) USER MOD Set 7.1: A 6 HIS : no HE2:sc= -0.216 K(o=-4.4,f=-5.4) USER MOD Set 7.2: A 8 THR OG1 : rot -120:sc= -0.902 USER MOD Set 7.3: A 41 THR OG1 : rot 180:sc= -0.0399 USER MOD Set 7.4: A 80 HIS : no HD1:sc= -3.21! C(o=-4.4!,f=-5.4!) USER MOD Single : A 18 SER OG : rot -125:sc= 0.0269 USER MOD Single : A 20 MET CE :methyl -110:sc= -2.54 (180deg=-3.66!) USER MOD Single : A 23 LYS NZ :NH3+ 171:sc= -1.1 (180deg=-1.39) USER MOD Single : A 24 MET CE :methyl -144:sc= -1.56 (180deg=-3.04!) USER MOD Single : A 53 CYS SG : rot 46:sc= 0.467 USER MOD Single : A 65 HIS : no HD1:sc= 0.498 K(o=0.5,f=-4.5!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0.029) USER MOD Single : A 99 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.4) USER MOD Single : A 109 MET CE :methyl -143:sc= -0.868 (180deg=-3.11!) USER MOD Single : A 112 SER OG : rot -32:sc= 0.663 USER MOD Single : A 144 SER OG : rot -68:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 50 N PRO A 4 -6.065 21.066 -17.721 1.00 1.00 N ATOM 51 CA PRO A 4 -6.013 21.736 -16.418 1.00 1.00 C ATOM 52 C PRO A 4 -4.816 22.667 -16.261 1.00 1.00 C ATOM 53 O PRO A 4 -3.879 22.651 -17.064 1.00 1.00 O ATOM 54 CB PRO A 4 -5.908 20.569 -15.425 1.00 1.00 C ATOM 55 CG PRO A 4 -5.332 19.452 -16.215 1.00 1.00 C ATOM 56 CD PRO A 4 -5.834 19.624 -17.608 1.00 1.00 C ATOM 0 HA PRO A 4 -6.881 22.379 -16.270 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -5.271 20.825 -14.579 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -6.885 20.305 -15.020 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -4.243 19.478 -16.188 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -5.638 18.489 -15.807 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -5.106 19.277 -18.341 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -6.750 19.058 -17.776 1.00 1.00 H new ATOM 64 N LEU A 5 -4.851 23.452 -15.188 1.00 1.00 N ATOM 65 CA LEU A 5 -3.772 24.384 -14.859 1.00 1.00 C ATOM 66 C LEU A 5 -2.500 23.598 -14.500 1.00 1.00 C ATOM 67 O LEU A 5 -2.530 22.372 -14.418 1.00 1.00 O ATOM 68 CB LEU A 5 -4.216 25.251 -13.675 1.00 1.00 C ATOM 69 CG LEU A 5 -4.064 26.774 -13.820 1.00 1.00 C ATOM 70 CD1 LEU A 5 -2.602 27.176 -13.905 1.00 1.00 C ATOM 71 CD2 LEU A 5 -4.824 27.287 -15.033 1.00 1.00 C ATOM 0 H LEU A 5 -5.624 23.462 -14.523 1.00 1.00 H new ATOM 0 HA LEU A 5 -3.553 25.023 -15.715 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -5.265 25.034 -13.473 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -3.651 24.938 -12.797 1.00 1.00 H new ATOM 0 HG LEU A 5 -4.492 27.231 -12.928 1.00 1.00 H new ATOM 0 HD11 LEU A 5 -2.528 28.259 -14.007 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -2.085 26.861 -12.999 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -2.143 26.698 -14.770 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -4.699 28.367 -15.111 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -4.436 26.811 -15.934 1.00 1.00 H new ATOM 0 HD23 LEU A 5 -5.883 27.051 -14.925 1.00 1.00 H new ATOM 83 N HIS A 6 -1.408 24.294 -14.217 1.00 1.00 N ATOM 84 CA HIS A 6 -0.152 23.625 -13.885 1.00 1.00 C ATOM 85 C HIS A 6 0.736 24.540 -13.063 1.00 1.00 C ATOM 86 O HIS A 6 1.475 25.346 -13.619 1.00 1.00 O ATOM 87 CB HIS A 6 0.593 23.222 -15.160 1.00 1.00 C ATOM 88 CG HIS A 6 1.408 21.961 -15.056 1.00 1.00 C ATOM 89 ND1 HIS A 6 2.124 21.454 -16.121 1.00 1.00 N ATOM 90 CD2 HIS A 6 1.621 21.108 -14.023 1.00 1.00 C ATOM 91 CE1 HIS A 6 2.743 20.347 -15.750 1.00 1.00 C ATOM 92 NE2 HIS A 6 2.454 20.115 -14.483 1.00 1.00 N ATOM 0 H HIS A 6 -1.363 25.313 -14.210 1.00 1.00 H new ATOM 0 HA HIS A 6 -0.390 22.733 -13.305 1.00 1.00 H new ATOM 0 HB2 HIS A 6 -0.134 23.100 -15.963 1.00 1.00 H new ATOM 0 HB3 HIS A 6 1.254 24.039 -15.449 1.00 1.00 H new ATOM 0 HD1 HIS A 6 2.169 21.870 -17.051 1.00 1.00 H new ATOM 0 HD2 HIS A 6 1.213 21.193 -13.027 1.00 1.00 H new ATOM 0 HE1 HIS A 6 3.377 19.737 -16.376 1.00 1.00 H new ATOM 101 N VAL A 7 0.601 24.479 -11.755 1.00 1.00 N ATOM 102 CA VAL A 7 1.438 25.284 -10.880 1.00 1.00 C ATOM 103 C VAL A 7 2.640 24.465 -10.441 1.00 1.00 C ATOM 104 O VAL A 7 2.482 23.433 -9.802 1.00 1.00 O ATOM 105 CB VAL A 7 0.696 25.764 -9.618 1.00 1.00 C ATOM 106 CG1 VAL A 7 1.338 27.014 -9.064 1.00 1.00 C ATOM 107 CG2 VAL A 7 -0.782 25.995 -9.873 1.00 1.00 C ATOM 0 H VAL A 7 -0.075 23.886 -11.273 1.00 1.00 H new ATOM 0 HA VAL A 7 1.738 26.163 -11.450 1.00 1.00 H new ATOM 0 HB VAL A 7 0.776 24.967 -8.878 1.00 1.00 H new ATOM 0 HG11 VAL A 7 0.799 27.336 -8.173 1.00 1.00 H new ATOM 0 HG12 VAL A 7 2.376 26.805 -8.804 1.00 1.00 H new ATOM 0 HG13 VAL A 7 1.304 27.804 -9.814 1.00 1.00 H new ATOM 0 HG21 VAL A 7 -1.261 26.332 -8.954 1.00 1.00 H new ATOM 0 HG22 VAL A 7 -0.904 26.754 -10.645 1.00 1.00 H new ATOM 0 HG23 VAL A 7 -1.244 25.065 -10.203 1.00 1.00 H new ATOM 117 N THR A 8 3.818 24.854 -10.875 1.00 1.00 N ATOM 118 CA THR A 8 5.034 24.152 -10.485 1.00 1.00 C ATOM 119 C THR A 8 5.940 25.066 -9.646 1.00 1.00 C ATOM 120 O THR A 8 6.372 26.118 -10.102 1.00 1.00 O ATOM 121 CB THR A 8 5.773 23.583 -11.727 1.00 1.00 C ATOM 122 OG1 THR A 8 6.779 22.650 -11.322 1.00 1.00 O ATOM 123 CG2 THR A 8 6.407 24.666 -12.583 1.00 1.00 C ATOM 0 H THR A 8 3.966 25.649 -11.496 1.00 1.00 H new ATOM 0 HA THR A 8 4.757 23.302 -9.861 1.00 1.00 H new ATOM 0 HB THR A 8 5.019 23.083 -12.335 1.00 1.00 H new ATOM 0 HG1 THR A 8 7.656 22.961 -11.628 1.00 1.00 H new ATOM 0 HG21 THR A 8 6.909 24.209 -13.436 1.00 1.00 H new ATOM 0 HG22 THR A 8 5.634 25.347 -12.939 1.00 1.00 H new ATOM 0 HG23 THR A 8 7.134 25.220 -11.989 1.00 1.00 H new ATOM 131 N PHE A 9 6.129 24.714 -8.376 1.00 1.00 N ATOM 132 CA PHE A 9 6.942 25.535 -7.471 1.00 1.00 C ATOM 133 C PHE A 9 8.413 25.192 -7.610 1.00 1.00 C ATOM 134 O PHE A 9 8.792 24.024 -7.529 1.00 1.00 O ATOM 135 CB PHE A 9 6.523 25.334 -6.021 1.00 1.00 C ATOM 136 CG PHE A 9 5.079 25.013 -5.865 1.00 1.00 C ATOM 137 CD1 PHE A 9 4.115 25.983 -6.040 1.00 1.00 C ATOM 138 CD2 PHE A 9 4.688 23.727 -5.554 1.00 1.00 C ATOM 139 CE1 PHE A 9 2.785 25.675 -5.907 1.00 1.00 C ATOM 140 CE2 PHE A 9 3.361 23.412 -5.421 1.00 1.00 C ATOM 141 CZ PHE A 9 2.406 24.386 -5.598 1.00 1.00 C ATOM 0 H PHE A 9 5.736 23.875 -7.950 1.00 1.00 H new ATOM 0 HA PHE A 9 6.782 26.577 -7.748 1.00 1.00 H new ATOM 0 HB2 PHE A 9 7.116 24.529 -5.587 1.00 1.00 H new ATOM 0 HB3 PHE A 9 6.750 26.238 -5.456 1.00 1.00 H new ATOM 0 HD1 PHE A 9 4.409 26.993 -6.284 1.00 1.00 H new ATOM 0 HD2 PHE A 9 5.436 22.960 -5.414 1.00 1.00 H new ATOM 0 HE1 PHE A 9 2.036 26.441 -6.044 1.00 1.00 H new ATOM 0 HE2 PHE A 9 3.066 22.402 -5.178 1.00 1.00 H new ATOM 0 HZ PHE A 9 1.359 24.141 -5.495 1.00 1.00 H new ATOM 151 N VAL A 10 9.245 26.208 -7.725 1.00 1.00 N ATOM 152 CA VAL A 10 10.664 26.007 -7.937 1.00 1.00 C ATOM 153 C VAL A 10 11.498 26.579 -6.796 1.00 1.00 C ATOM 154 O VAL A 10 11.551 27.796 -6.587 1.00 1.00 O ATOM 155 CB VAL A 10 11.113 26.664 -9.249 1.00 1.00 C ATOM 156 CG1 VAL A 10 12.560 26.335 -9.549 1.00 1.00 C ATOM 157 CG2 VAL A 10 10.224 26.229 -10.391 1.00 1.00 C ATOM 0 H VAL A 10 8.960 27.186 -7.675 1.00 1.00 H new ATOM 0 HA VAL A 10 10.824 24.930 -7.982 1.00 1.00 H new ATOM 0 HB VAL A 10 11.026 27.745 -9.135 1.00 1.00 H new ATOM 0 HG11 VAL A 10 12.855 26.812 -10.484 1.00 1.00 H new ATOM 0 HG12 VAL A 10 13.192 26.701 -8.740 1.00 1.00 H new ATOM 0 HG13 VAL A 10 12.676 25.255 -9.640 1.00 1.00 H new ATOM 0 HG21 VAL A 10 10.557 26.705 -11.313 1.00 1.00 H new ATOM 0 HG22 VAL A 10 10.278 25.146 -10.502 1.00 1.00 H new ATOM 0 HG23 VAL A 10 9.195 26.522 -10.183 1.00 1.00 H new ATOM 167 N CYS A 11 12.185 25.699 -6.091 1.00 1.00 N ATOM 168 CA CYS A 11 13.052 26.101 -5.001 1.00 1.00 C ATOM 169 C CYS A 11 14.270 25.192 -4.957 1.00 1.00 C ATOM 170 O CYS A 11 14.246 24.094 -5.511 1.00 1.00 O ATOM 171 CB CYS A 11 12.299 26.040 -3.666 1.00 1.00 C ATOM 172 SG CYS A 11 13.270 26.560 -2.227 1.00 1.00 S ATOM 0 H CYS A 11 12.158 24.693 -6.257 1.00 1.00 H new ATOM 0 HA CYS A 11 13.375 27.129 -5.166 1.00 1.00 H new ATOM 0 HB2 CYS A 11 11.412 26.669 -3.735 1.00 1.00 H new ATOM 0 HB3 CYS A 11 11.954 25.019 -3.505 1.00 1.00 H new ATOM 0 HG CYS A 11 13.169 25.665 -1.289 1.00 1.00 H new ATOM 178 N THR A 12 15.335 25.655 -4.325 1.00 1.00 N ATOM 179 CA THR A 12 16.546 24.872 -4.198 1.00 1.00 C ATOM 180 C THR A 12 16.337 23.729 -3.210 1.00 1.00 C ATOM 181 O THR A 12 16.277 23.942 -2.000 1.00 1.00 O ATOM 182 CB THR A 12 17.710 25.766 -3.752 1.00 1.00 C ATOM 183 OG1 THR A 12 17.186 26.927 -3.089 1.00 1.00 O ATOM 184 CG2 THR A 12 18.558 26.187 -4.945 1.00 1.00 C ATOM 0 H THR A 12 15.382 26.576 -3.890 1.00 1.00 H new ATOM 0 HA THR A 12 16.791 24.444 -5.170 1.00 1.00 H new ATOM 0 HB THR A 12 18.345 25.204 -3.067 1.00 1.00 H new ATOM 0 HG1 THR A 12 17.926 27.501 -2.801 1.00 1.00 H new ATOM 0 HG21 THR A 12 19.377 26.820 -4.604 1.00 1.00 H new ATOM 0 HG22 THR A 12 18.964 25.301 -5.434 1.00 1.00 H new ATOM 0 HG23 THR A 12 17.941 26.741 -5.652 1.00 1.00 H new ATOM 192 N GLY A 13 16.055 22.554 -3.750 1.00 1.00 N ATOM 193 CA GLY A 13 15.834 21.388 -2.922 1.00 1.00 C ATOM 194 C GLY A 13 14.530 20.702 -3.265 1.00 1.00 C ATOM 195 O GLY A 13 14.470 19.475 -3.342 1.00 1.00 O ATOM 0 H GLY A 13 15.975 22.387 -4.753 1.00 1.00 H new ATOM 0 HA2 GLY A 13 16.659 20.688 -3.051 1.00 1.00 H new ATOM 0 HA3 GLY A 13 15.826 21.682 -1.872 1.00 1.00 H new ATOM 199 N ASN A 14 13.485 21.513 -3.459 1.00 1.00 N ATOM 200 CA ASN A 14 12.143 21.026 -3.821 1.00 1.00 C ATOM 201 C ASN A 14 11.528 20.172 -2.705 1.00 1.00 C ATOM 202 O ASN A 14 10.477 19.555 -2.876 1.00 1.00 O ATOM 203 CB ASN A 14 12.195 20.226 -5.132 1.00 1.00 C ATOM 204 CG ASN A 14 10.820 19.807 -5.628 1.00 1.00 C ATOM 205 OD1 ASN A 14 10.657 18.736 -6.197 1.00 1.00 O ATOM 206 ND2 ASN A 14 9.830 20.658 -5.441 1.00 1.00 N ATOM 0 H ASN A 14 13.542 22.528 -3.370 1.00 1.00 H new ATOM 0 HA ASN A 14 11.506 21.900 -3.962 1.00 1.00 H new ATOM 0 HB2 ASN A 14 12.684 20.827 -5.899 1.00 1.00 H new ATOM 0 HB3 ASN A 14 12.808 19.337 -4.985 1.00 1.00 H new ATOM 0 HD21 ASN A 14 8.893 20.432 -5.775 1.00 1.00 H new ATOM 0 HD22 ASN A 14 10.001 21.542 -4.962 1.00 1.00 H new ATOM 213 N ILE A 15 12.134 20.195 -1.537 1.00 1.00 N ATOM 214 CA ILE A 15 11.643 19.397 -0.432 1.00 1.00 C ATOM 215 C ILE A 15 11.252 20.268 0.750 1.00 1.00 C ATOM 216 O ILE A 15 10.895 19.762 1.810 1.00 1.00 O ATOM 217 CB ILE A 15 12.682 18.353 0.011 1.00 1.00 C ATOM 218 CG1 ILE A 15 14.029 19.021 0.321 1.00 1.00 C ATOM 219 CG2 ILE A 15 12.849 17.297 -1.074 1.00 1.00 C ATOM 220 CD1 ILE A 15 14.864 18.258 1.326 1.00 1.00 C ATOM 0 H ILE A 15 12.962 20.753 -1.328 1.00 1.00 H new ATOM 0 HA ILE A 15 10.755 18.875 -0.788 1.00 1.00 H new ATOM 0 HB ILE A 15 12.326 17.873 0.923 1.00 1.00 H new ATOM 0 HG12 ILE A 15 14.595 19.126 -0.605 1.00 1.00 H new ATOM 0 HG13 ILE A 15 13.848 20.027 0.700 1.00 1.00 H new ATOM 0 HG21 ILE A 15 13.586 16.560 -0.754 1.00 1.00 H new ATOM 0 HG22 ILE A 15 11.894 16.802 -1.250 1.00 1.00 H new ATOM 0 HG23 ILE A 15 13.187 17.772 -1.995 1.00 1.00 H new ATOM 0 HD11 ILE A 15 15.801 18.787 1.497 1.00 1.00 H new ATOM 0 HD12 ILE A 15 14.317 18.175 2.265 1.00 1.00 H new ATOM 0 HD13 ILE A 15 15.076 17.261 0.941 1.00 1.00 H new ATOM 232 N CYS A 16 11.187 21.567 0.521 1.00 1.00 N ATOM 233 CA CYS A 16 10.846 22.494 1.585 1.00 1.00 C ATOM 234 C CYS A 16 9.691 23.417 1.193 1.00 1.00 C ATOM 235 O CYS A 16 8.532 23.045 1.326 1.00 1.00 O ATOM 236 CB CYS A 16 12.078 23.311 1.971 1.00 1.00 C ATOM 237 SG CYS A 16 13.009 23.956 0.556 1.00 1.00 S ATOM 0 H CYS A 16 11.364 22.002 -0.385 1.00 1.00 H new ATOM 0 HA CYS A 16 10.512 21.911 2.444 1.00 1.00 H new ATOM 0 HB2 CYS A 16 11.765 24.146 2.598 1.00 1.00 H new ATOM 0 HB3 CYS A 16 12.739 22.689 2.575 1.00 1.00 H new ATOM 0 HG CYS A 16 14.032 24.635 0.983 1.00 1.00 H new ATOM 243 N ARG A 17 10.020 24.546 0.573 1.00 1.00 N ATOM 244 CA ARG A 17 9.028 25.557 0.204 1.00 1.00 C ATOM 245 C ARG A 17 8.021 25.021 -0.816 1.00 1.00 C ATOM 246 O ARG A 17 6.805 25.101 -0.611 1.00 1.00 O ATOM 247 CB ARG A 17 9.732 26.785 -0.376 1.00 1.00 C ATOM 248 CG ARG A 17 10.599 27.553 0.615 1.00 1.00 C ATOM 249 CD ARG A 17 11.486 28.552 -0.114 1.00 1.00 C ATOM 250 NE ARG A 17 12.196 29.454 0.788 1.00 1.00 N ATOM 251 CZ ARG A 17 13.520 29.444 0.963 1.00 1.00 C ATOM 252 NH1 ARG A 17 14.265 28.502 0.396 1.00 1.00 N ATOM 253 NH2 ARG A 17 14.093 30.375 1.708 1.00 1.00 N ATOM 0 H ARG A 17 10.976 24.788 0.312 1.00 1.00 H new ATOM 0 HA ARG A 17 8.482 25.828 1.107 1.00 1.00 H new ATOM 0 HB2 ARG A 17 10.355 26.468 -1.212 1.00 1.00 H new ATOM 0 HB3 ARG A 17 8.978 27.462 -0.779 1.00 1.00 H new ATOM 0 HG2 ARG A 17 9.966 28.076 1.332 1.00 1.00 H new ATOM 0 HG3 ARG A 17 11.216 26.857 1.183 1.00 1.00 H new ATOM 0 HD2 ARG A 17 12.211 28.010 -0.720 1.00 1.00 H new ATOM 0 HD3 ARG A 17 10.874 29.140 -0.798 1.00 1.00 H new ATOM 0 HE ARG A 17 11.648 30.133 1.316 1.00 1.00 H new ATOM 0 HH11 ARG A 17 13.826 27.781 -0.177 1.00 1.00 H new ATOM 0 HH12 ARG A 17 15.276 28.500 0.533 1.00 1.00 H new ATOM 0 HH21 ARG A 17 13.524 31.098 2.147 1.00 1.00 H new ATOM 0 HH22 ARG A 17 15.104 30.369 1.843 1.00 1.00 H new ATOM 267 N SER A 18 8.544 24.464 -1.903 1.00 1.00 N ATOM 268 CA SER A 18 7.720 23.940 -2.987 1.00 1.00 C ATOM 269 C SER A 18 6.660 22.941 -2.496 1.00 1.00 C ATOM 270 O SER A 18 5.464 23.194 -2.645 1.00 1.00 O ATOM 271 CB SER A 18 8.613 23.286 -4.044 1.00 1.00 C ATOM 272 OG SER A 18 9.669 24.147 -4.427 1.00 1.00 O ATOM 0 H SER A 18 9.547 24.363 -2.058 1.00 1.00 H new ATOM 0 HA SER A 18 7.182 24.782 -3.423 1.00 1.00 H new ATOM 0 HB2 SER A 18 9.023 22.355 -3.652 1.00 1.00 H new ATOM 0 HB3 SER A 18 8.016 23.027 -4.919 1.00 1.00 H new ATOM 0 HG SER A 18 9.658 24.265 -5.400 1.00 1.00 H new ATOM 278 N PRO A 19 7.058 21.832 -1.835 1.00 1.00 N ATOM 279 CA PRO A 19 6.100 20.812 -1.403 1.00 1.00 C ATOM 280 C PRO A 19 5.172 21.312 -0.303 1.00 1.00 C ATOM 281 O PRO A 19 4.104 20.748 -0.082 1.00 1.00 O ATOM 282 CB PRO A 19 6.985 19.681 -0.888 1.00 1.00 C ATOM 283 CG PRO A 19 8.240 20.348 -0.462 1.00 1.00 C ATOM 284 CD PRO A 19 8.427 21.528 -1.370 1.00 1.00 C ATOM 0 HA PRO A 19 5.437 20.511 -2.214 1.00 1.00 H new ATOM 0 HB2 PRO A 19 6.514 19.157 -0.057 1.00 1.00 H new ATOM 0 HB3 PRO A 19 7.174 18.941 -1.666 1.00 1.00 H new ATOM 0 HG2 PRO A 19 8.176 20.666 0.579 1.00 1.00 H new ATOM 0 HG3 PRO A 19 9.086 19.665 -0.535 1.00 1.00 H new ATOM 0 HD2 PRO A 19 8.868 22.374 -0.842 1.00 1.00 H new ATOM 0 HD3 PRO A 19 9.090 21.292 -2.203 1.00 1.00 H new ATOM 292 N MET A 20 5.586 22.360 0.394 1.00 1.00 N ATOM 293 CA MET A 20 4.756 22.951 1.431 1.00 1.00 C ATOM 294 C MET A 20 3.461 23.479 0.831 1.00 1.00 C ATOM 295 O MET A 20 2.376 23.009 1.171 1.00 1.00 O ATOM 296 CB MET A 20 5.508 24.071 2.143 1.00 1.00 C ATOM 297 CG MET A 20 6.440 23.585 3.232 1.00 1.00 C ATOM 298 SD MET A 20 5.564 23.171 4.749 1.00 1.00 S ATOM 299 CE MET A 20 4.999 24.797 5.236 1.00 1.00 C ATOM 0 H MET A 20 6.488 22.817 0.260 1.00 1.00 H new ATOM 0 HA MET A 20 4.513 22.181 2.163 1.00 1.00 H new ATOM 0 HB2 MET A 20 6.085 24.633 1.408 1.00 1.00 H new ATOM 0 HB3 MET A 20 4.786 24.762 2.578 1.00 1.00 H new ATOM 0 HG2 MET A 20 6.983 22.708 2.878 1.00 1.00 H new ATOM 0 HG3 MET A 20 7.182 24.355 3.442 1.00 1.00 H new ATOM 0 HE1 MET A 20 5.543 25.120 6.124 1.00 1.00 H new ATOM 0 HE2 MET A 20 5.177 25.502 4.424 1.00 1.00 H new ATOM 0 HE3 MET A 20 3.932 24.760 5.457 1.00 1.00 H new ATOM 309 N ALA A 21 3.589 24.324 -0.184 1.00 1.00 N ATOM 310 CA ALA A 21 2.408 24.897 -0.827 1.00 1.00 C ATOM 311 C ALA A 21 1.733 23.866 -1.705 1.00 1.00 C ATOM 312 O ALA A 21 0.514 23.902 -1.894 1.00 1.00 O ATOM 313 CB ALA A 21 2.759 26.125 -1.644 1.00 1.00 C ATOM 0 H ALA A 21 4.481 24.625 -0.576 1.00 1.00 H new ATOM 0 HA ALA A 21 1.720 25.203 -0.039 1.00 1.00 H new ATOM 0 HB1 ALA A 21 1.857 26.524 -2.107 1.00 1.00 H new ATOM 0 HB2 ALA A 21 3.198 26.882 -0.994 1.00 1.00 H new ATOM 0 HB3 ALA A 21 3.475 25.854 -2.419 1.00 1.00 H new ATOM 319 N GLU A 22 2.531 22.913 -2.166 1.00 1.00 N ATOM 320 CA GLU A 22 2.063 21.838 -3.022 1.00 1.00 C ATOM 321 C GLU A 22 0.846 21.169 -2.399 1.00 1.00 C ATOM 322 O GLU A 22 -0.264 21.311 -2.888 1.00 1.00 O ATOM 323 CB GLU A 22 3.192 20.815 -3.206 1.00 1.00 C ATOM 324 CG GLU A 22 3.079 19.978 -4.469 1.00 1.00 C ATOM 325 CD GLU A 22 4.130 18.888 -4.538 1.00 1.00 C ATOM 326 OE1 GLU A 22 4.219 18.070 -3.597 1.00 1.00 O ATOM 327 OE2 GLU A 22 4.876 18.835 -5.538 1.00 1.00 O ATOM 0 H GLU A 22 3.528 22.866 -1.954 1.00 1.00 H new ATOM 0 HA GLU A 22 1.777 22.242 -3.993 1.00 1.00 H new ATOM 0 HB2 GLU A 22 4.146 21.343 -3.218 1.00 1.00 H new ATOM 0 HB3 GLU A 22 3.207 20.149 -2.343 1.00 1.00 H new ATOM 0 HG2 GLU A 22 2.088 19.526 -4.514 1.00 1.00 H new ATOM 0 HG3 GLU A 22 3.174 20.626 -5.340 1.00 1.00 H new ATOM 334 N LYS A 23 1.013 20.733 -1.169 1.00 1.00 N ATOM 335 CA LYS A 23 -0.053 20.000 -0.503 1.00 1.00 C ATOM 336 C LYS A 23 -1.024 20.961 0.154 1.00 1.00 C ATOM 337 O LYS A 23 -2.187 20.632 0.335 1.00 1.00 O ATOM 338 CB LYS A 23 0.499 19.009 0.523 1.00 1.00 C ATOM 339 CG LYS A 23 2.007 18.919 0.516 1.00 1.00 C ATOM 340 CD LYS A 23 2.501 17.492 0.505 1.00 1.00 C ATOM 341 CE LYS A 23 4.007 17.464 0.367 1.00 1.00 C ATOM 342 NZ LYS A 23 4.673 18.105 1.531 1.00 1.00 N ATOM 0 H LYS A 23 1.858 20.867 -0.614 1.00 1.00 H new ATOM 0 HA LYS A 23 -0.584 19.425 -1.262 1.00 1.00 H new ATOM 0 HB2 LYS A 23 0.164 19.303 1.518 1.00 1.00 H new ATOM 0 HB3 LYS A 23 0.082 18.022 0.325 1.00 1.00 H new ATOM 0 HG2 LYS A 23 2.395 19.441 -0.359 1.00 1.00 H new ATOM 0 HG3 LYS A 23 2.402 19.430 1.394 1.00 1.00 H new ATOM 0 HD2 LYS A 23 2.203 16.989 1.425 1.00 1.00 H new ATOM 0 HD3 LYS A 23 2.042 16.947 -0.320 1.00 1.00 H new ATOM 0 HE2 LYS A 23 4.346 16.432 0.276 1.00 1.00 H new ATOM 0 HE3 LYS A 23 4.299 17.978 -0.549 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 5.698 17.936 1.481 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 4.490 19.129 1.515 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 4.298 17.700 2.412 1.00 1.00 H new ATOM 356 N MET A 24 -0.566 22.170 0.445 1.00 1.00 N ATOM 357 CA MET A 24 -1.406 23.164 1.101 1.00 1.00 C ATOM 358 C MET A 24 -2.614 23.563 0.254 1.00 1.00 C ATOM 359 O MET A 24 -3.735 23.090 0.469 1.00 1.00 O ATOM 360 CB MET A 24 -0.584 24.398 1.449 1.00 1.00 C ATOM 361 CG MET A 24 0.236 24.219 2.713 1.00 1.00 C ATOM 362 SD MET A 24 -0.480 25.023 4.150 1.00 1.00 S ATOM 363 CE MET A 24 0.063 26.708 3.884 1.00 1.00 C ATOM 0 H MET A 24 0.381 22.487 0.238 1.00 1.00 H new ATOM 0 HA MET A 24 -1.789 22.706 2.013 1.00 1.00 H new ATOM 0 HB2 MET A 24 0.082 24.631 0.619 1.00 1.00 H new ATOM 0 HB3 MET A 24 -1.251 25.251 1.572 1.00 1.00 H new ATOM 0 HG2 MET A 24 0.345 23.154 2.919 1.00 1.00 H new ATOM 0 HG3 MET A 24 1.238 24.615 2.546 1.00 1.00 H new ATOM 0 HE1 MET A 24 0.293 27.172 4.843 1.00 1.00 H new ATOM 0 HE2 MET A 24 0.955 26.708 3.257 1.00 1.00 H new ATOM 0 HE3 MET A 24 -0.728 27.271 3.389 1.00 1.00 H new ATOM 373 N PHE A 25 -2.382 24.379 -0.762 1.00 1.00 N ATOM 374 CA PHE A 25 -3.487 24.883 -1.548 1.00 1.00 C ATOM 375 C PHE A 25 -4.006 23.837 -2.513 1.00 1.00 C ATOM 376 O PHE A 25 -5.185 23.859 -2.862 1.00 1.00 O ATOM 377 CB PHE A 25 -3.113 26.168 -2.285 1.00 1.00 C ATOM 378 CG PHE A 25 -2.234 25.991 -3.478 1.00 1.00 C ATOM 379 CD1 PHE A 25 -2.776 25.722 -4.724 1.00 1.00 C ATOM 380 CD2 PHE A 25 -0.871 26.126 -3.358 1.00 1.00 C ATOM 381 CE1 PHE A 25 -1.965 25.586 -5.828 1.00 1.00 C ATOM 382 CE2 PHE A 25 -0.058 26.004 -4.455 1.00 1.00 C ATOM 383 CZ PHE A 25 -0.604 25.733 -5.691 1.00 1.00 C ATOM 0 H PHE A 25 -1.458 24.699 -1.054 1.00 1.00 H new ATOM 0 HA PHE A 25 -4.291 25.122 -0.852 1.00 1.00 H new ATOM 0 HB2 PHE A 25 -4.030 26.665 -2.601 1.00 1.00 H new ATOM 0 HB3 PHE A 25 -2.614 26.837 -1.584 1.00 1.00 H new ATOM 0 HD1 PHE A 25 -3.846 25.618 -4.830 1.00 1.00 H new ATOM 0 HD2 PHE A 25 -0.437 26.330 -2.390 1.00 1.00 H new ATOM 0 HE1 PHE A 25 -2.394 25.366 -6.794 1.00 1.00 H new ATOM 0 HE2 PHE A 25 1.011 26.120 -4.351 1.00 1.00 H new ATOM 0 HZ PHE A 25 0.038 25.636 -6.554 1.00 1.00 H new ATOM 393 N ALA A 26 -3.143 22.935 -2.972 1.00 1.00 N ATOM 394 CA ALA A 26 -3.604 21.906 -3.899 1.00 1.00 C ATOM 395 C ALA A 26 -4.619 20.991 -3.230 1.00 1.00 C ATOM 396 O ALA A 26 -5.591 20.565 -3.857 1.00 1.00 O ATOM 397 CB ALA A 26 -2.459 21.111 -4.475 1.00 1.00 C ATOM 0 H ALA A 26 -2.153 22.894 -2.728 1.00 1.00 H new ATOM 0 HA ALA A 26 -4.093 22.414 -4.730 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -2.848 20.357 -5.159 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -1.787 21.779 -5.015 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -1.913 20.622 -3.668 1.00 1.00 H new ATOM 403 N GLN A 27 -4.391 20.681 -1.951 1.00 1.00 N ATOM 404 CA GLN A 27 -5.334 19.866 -1.202 1.00 1.00 C ATOM 405 C GLN A 27 -6.666 20.603 -1.118 1.00 1.00 C ATOM 406 O GLN A 27 -7.731 20.008 -1.295 1.00 1.00 O ATOM 407 CB GLN A 27 -4.783 19.522 0.176 1.00 1.00 C ATOM 408 CG GLN A 27 -5.180 20.468 1.289 1.00 1.00 C ATOM 409 CD GLN A 27 -6.184 19.835 2.220 1.00 1.00 C ATOM 410 OE1 GLN A 27 -7.387 20.059 2.115 1.00 1.00 O ATOM 411 NE2 GLN A 27 -5.688 18.964 3.069 1.00 1.00 N ATOM 0 H GLN A 27 -3.571 20.980 -1.423 1.00 1.00 H new ATOM 0 HA GLN A 27 -5.492 18.918 -1.717 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -5.114 18.518 0.441 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -3.695 19.494 0.117 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -4.294 20.761 1.852 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -5.601 21.378 0.862 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -4.680 18.815 3.117 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -6.311 18.436 3.681 1.00 1.00 H new ATOM 420 N GLN A 28 -6.586 21.919 -0.921 1.00 1.00 N ATOM 421 CA GLN A 28 -7.765 22.770 -0.904 1.00 1.00 C ATOM 422 C GLN A 28 -8.516 22.672 -2.227 1.00 1.00 C ATOM 423 O GLN A 28 -9.742 22.567 -2.244 1.00 1.00 O ATOM 424 CB GLN A 28 -7.368 24.218 -0.647 1.00 1.00 C ATOM 425 CG GLN A 28 -6.709 24.440 0.700 1.00 1.00 C ATOM 426 CD GLN A 28 -6.264 25.872 0.895 1.00 1.00 C ATOM 427 OE1 GLN A 28 -6.817 26.799 0.292 1.00 1.00 O ATOM 428 NE2 GLN A 28 -5.279 26.066 1.756 1.00 1.00 N ATOM 0 H GLN A 28 -5.709 22.417 -0.770 1.00 1.00 H new ATOM 0 HA GLN A 28 -8.419 22.430 -0.101 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -6.686 24.543 -1.433 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -8.256 24.846 -0.715 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -7.407 24.168 1.492 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -5.848 23.779 0.793 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -4.852 25.270 2.231 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -4.946 27.011 1.945 1.00 1.00 H new ATOM 437 N LEU A 29 -7.765 22.701 -3.327 1.00 1.00 N ATOM 438 CA LEU A 29 -8.340 22.619 -4.668 1.00 1.00 C ATOM 439 C LEU A 29 -9.227 21.389 -4.813 1.00 1.00 C ATOM 440 O LEU A 29 -10.416 21.500 -5.098 1.00 1.00 O ATOM 441 CB LEU A 29 -7.236 22.586 -5.726 1.00 1.00 C ATOM 442 CG LEU A 29 -6.336 23.818 -5.762 1.00 1.00 C ATOM 443 CD1 LEU A 29 -5.206 23.625 -6.759 1.00 1.00 C ATOM 444 CD2 LEU A 29 -7.147 25.054 -6.112 1.00 1.00 C ATOM 0 H LEU A 29 -6.748 22.781 -3.314 1.00 1.00 H new ATOM 0 HA LEU A 29 -8.953 23.508 -4.818 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -6.615 21.707 -5.554 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -7.697 22.463 -6.706 1.00 1.00 H new ATOM 0 HG LEU A 29 -5.901 23.956 -4.772 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -4.575 24.514 -6.770 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -4.609 22.760 -6.470 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -5.622 23.462 -7.753 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -6.492 25.925 -6.134 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -7.608 24.922 -7.091 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -7.924 25.203 -5.363 1.00 1.00 H new ATOM 456 N ARG A 30 -8.645 20.214 -4.678 1.00 1.00 N ATOM 457 CA ARG A 30 -9.424 18.986 -4.773 1.00 1.00 C ATOM 458 C ARG A 30 -10.538 18.946 -3.722 1.00 1.00 C ATOM 459 O ARG A 30 -11.613 18.413 -3.975 1.00 1.00 O ATOM 460 CB ARG A 30 -8.531 17.749 -4.680 1.00 1.00 C ATOM 461 CG ARG A 30 -7.495 17.802 -3.575 1.00 1.00 C ATOM 462 CD ARG A 30 -6.118 17.498 -4.135 1.00 1.00 C ATOM 463 NE ARG A 30 -5.108 17.330 -3.091 1.00 1.00 N ATOM 464 CZ ARG A 30 -4.121 16.434 -3.142 1.00 1.00 C ATOM 465 NH1 ARG A 30 -4.088 15.529 -4.111 1.00 1.00 N ATOM 466 NH2 ARG A 30 -3.185 16.413 -2.194 1.00 1.00 N ATOM 0 H ARG A 30 -7.649 20.079 -4.504 1.00 1.00 H new ATOM 0 HA ARG A 30 -9.897 18.977 -5.755 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -9.161 16.873 -4.528 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -8.020 17.613 -5.633 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -7.498 18.788 -3.111 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -7.746 17.082 -2.796 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -6.167 16.590 -4.736 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -5.815 18.306 -4.801 1.00 1.00 H new ATOM 0 HE ARG A 30 -5.162 17.936 -2.272 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -4.819 15.516 -4.822 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -3.331 14.846 -4.145 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -3.222 17.083 -1.426 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -2.432 15.727 -2.236 1.00 1.00 H new ATOM 480 N HIS A 31 -10.273 19.517 -2.548 1.00 1.00 N ATOM 481 CA HIS A 31 -11.275 19.592 -1.481 1.00 1.00 C ATOM 482 C HIS A 31 -12.504 20.410 -1.890 1.00 1.00 C ATOM 483 O HIS A 31 -13.609 20.152 -1.417 1.00 1.00 O ATOM 484 CB HIS A 31 -10.670 20.162 -0.196 1.00 1.00 C ATOM 485 CG HIS A 31 -10.197 19.109 0.759 1.00 1.00 C ATOM 486 ND1 HIS A 31 -10.440 19.163 2.110 1.00 1.00 N ATOM 487 CD2 HIS A 31 -9.500 17.969 0.549 1.00 1.00 C ATOM 488 CE1 HIS A 31 -9.916 18.103 2.693 1.00 1.00 C ATOM 489 NE2 HIS A 31 -9.340 17.357 1.769 1.00 1.00 N ATOM 0 H HIS A 31 -9.374 19.935 -2.310 1.00 1.00 H new ATOM 0 HA HIS A 31 -11.606 18.570 -1.295 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -9.832 20.810 -0.454 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -11.413 20.785 0.301 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -9.137 17.607 -0.401 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -9.952 17.882 3.750 1.00 1.00 H new ATOM 0 HE2 HIS A 31 -8.857 16.474 1.933 1.00 1.00 H new ATOM 498 N ARG A 32 -12.317 21.375 -2.786 1.00 1.00 N ATOM 499 CA ARG A 32 -13.454 22.171 -3.233 1.00 1.00 C ATOM 500 C ARG A 32 -14.019 21.597 -4.523 1.00 1.00 C ATOM 501 O ARG A 32 -15.165 21.851 -4.892 1.00 1.00 O ATOM 502 CB ARG A 32 -13.084 23.639 -3.380 1.00 1.00 C ATOM 503 CG ARG A 32 -11.743 23.875 -4.030 1.00 1.00 C ATOM 504 CD ARG A 32 -11.196 25.232 -3.654 1.00 1.00 C ATOM 505 NE ARG A 32 -11.031 25.379 -2.207 1.00 1.00 N ATOM 506 CZ ARG A 32 -10.861 26.552 -1.595 1.00 1.00 C ATOM 507 NH1 ARG A 32 -10.888 27.680 -2.289 1.00 1.00 N ATOM 508 NH2 ARG A 32 -10.667 26.602 -0.280 1.00 1.00 N ATOM 0 H ARG A 32 -11.420 21.619 -3.205 1.00 1.00 H new ATOM 0 HA ARG A 32 -14.232 22.121 -2.471 1.00 1.00 H new ATOM 0 HB2 ARG A 32 -13.854 24.139 -3.968 1.00 1.00 H new ATOM 0 HB3 ARG A 32 -13.084 24.103 -2.394 1.00 1.00 H new ATOM 0 HG2 ARG A 32 -11.043 23.098 -3.723 1.00 1.00 H new ATOM 0 HG3 ARG A 32 -11.842 23.805 -5.113 1.00 1.00 H new ATOM 0 HD2 ARG A 32 -10.235 25.383 -4.145 1.00 1.00 H new ATOM 0 HD3 ARG A 32 -11.868 26.008 -4.022 1.00 1.00 H new ATOM 0 HE ARG A 32 -11.047 24.536 -1.633 1.00 1.00 H new ATOM 0 HH11 ARG A 32 -11.039 27.655 -3.297 1.00 1.00 H new ATOM 0 HH12 ARG A 32 -10.757 28.574 -1.815 1.00 1.00 H new ATOM 0 HH21 ARG A 32 -10.648 25.741 0.266 1.00 1.00 H new ATOM 0 HH22 ARG A 32 -10.538 27.502 0.183 1.00 1.00 H new ATOM 522 N GLY A 33 -13.190 20.819 -5.200 1.00 1.00 N ATOM 523 CA GLY A 33 -13.608 20.167 -6.420 1.00 1.00 C ATOM 524 C GLY A 33 -12.966 20.780 -7.635 1.00 1.00 C ATOM 525 O GLY A 33 -13.600 20.904 -8.677 1.00 1.00 O ATOM 0 H GLY A 33 -12.227 20.627 -4.923 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -13.354 19.108 -6.371 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -14.692 20.230 -6.512 1.00 1.00 H new ATOM 529 N LEU A 34 -11.694 21.138 -7.517 1.00 1.00 N ATOM 530 CA LEU A 34 -10.970 21.769 -8.610 1.00 1.00 C ATOM 531 C LEU A 34 -9.637 21.062 -8.814 1.00 1.00 C ATOM 532 O LEU A 34 -8.842 21.450 -9.659 1.00 1.00 O ATOM 533 CB LEU A 34 -10.721 23.239 -8.275 1.00 1.00 C ATOM 534 CG LEU A 34 -11.950 24.015 -7.804 1.00 1.00 C ATOM 535 CD1 LEU A 34 -11.540 25.373 -7.268 1.00 1.00 C ATOM 536 CD2 LEU A 34 -12.956 24.165 -8.935 1.00 1.00 C ATOM 0 H LEU A 34 -11.141 21.001 -6.671 1.00 1.00 H new ATOM 0 HA LEU A 34 -11.561 21.699 -9.523 1.00 1.00 H new ATOM 0 HB2 LEU A 34 -9.957 23.294 -7.500 1.00 1.00 H new ATOM 0 HB3 LEU A 34 -10.315 23.733 -9.158 1.00 1.00 H new ATOM 0 HG LEU A 34 -12.426 23.455 -6.999 1.00 1.00 H new ATOM 0 HD11 LEU A 34 -12.425 25.915 -6.936 1.00 1.00 H new ATOM 0 HD12 LEU A 34 -10.858 25.242 -6.428 1.00 1.00 H new ATOM 0 HD13 LEU A 34 -11.041 25.939 -8.055 1.00 1.00 H new ATOM 0 HD21 LEU A 34 -13.824 24.720 -8.579 1.00 1.00 H new ATOM 0 HD22 LEU A 34 -12.495 24.704 -9.763 1.00 1.00 H new ATOM 0 HD23 LEU A 34 -13.271 23.178 -9.275 1.00 1.00 H new ATOM 548 N GLY A 35 -9.415 20.017 -8.022 1.00 1.00 N ATOM 549 CA GLY A 35 -8.171 19.260 -8.090 1.00 1.00 C ATOM 550 C GLY A 35 -7.844 18.765 -9.486 1.00 1.00 C ATOM 551 O GLY A 35 -6.686 18.754 -9.889 1.00 1.00 O ATOM 0 H GLY A 35 -10.080 19.676 -7.327 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -7.353 19.886 -7.733 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -8.236 18.406 -7.416 1.00 1.00 H new ATOM 555 N ASP A 36 -8.863 18.395 -10.243 1.00 1.00 N ATOM 556 CA ASP A 36 -8.652 17.903 -11.596 1.00 1.00 C ATOM 557 C ASP A 36 -8.612 19.059 -12.570 1.00 1.00 C ATOM 558 O ASP A 36 -8.111 18.926 -13.683 1.00 1.00 O ATOM 559 CB ASP A 36 -9.764 16.946 -12.007 1.00 1.00 C ATOM 560 CG ASP A 36 -9.271 15.524 -12.214 1.00 1.00 C ATOM 561 OD1 ASP A 36 -8.220 15.155 -11.647 1.00 1.00 O ATOM 562 OD2 ASP A 36 -9.944 14.766 -12.940 1.00 1.00 O ATOM 0 H ASP A 36 -9.839 18.425 -9.947 1.00 1.00 H new ATOM 0 HA ASP A 36 -7.701 17.371 -11.614 1.00 1.00 H new ATOM 0 HB2 ASP A 36 -10.540 16.949 -11.242 1.00 1.00 H new ATOM 0 HB3 ASP A 36 -10.223 17.304 -12.928 1.00 1.00 H new ATOM 567 N ALA A 37 -9.147 20.194 -12.143 1.00 1.00 N ATOM 568 CA ALA A 37 -9.216 21.364 -13.004 1.00 1.00 C ATOM 569 C ALA A 37 -7.879 22.099 -13.052 1.00 1.00 C ATOM 570 O ALA A 37 -7.599 22.856 -13.983 1.00 1.00 O ATOM 571 CB ALA A 37 -10.327 22.300 -12.551 1.00 1.00 C ATOM 0 H ALA A 37 -9.538 20.329 -11.210 1.00 1.00 H new ATOM 0 HA ALA A 37 -9.443 21.021 -14.013 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -10.361 23.169 -13.208 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -11.282 21.777 -12.591 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -10.134 22.626 -11.529 1.00 1.00 H new ATOM 577 N VAL A 38 -7.059 21.887 -12.035 1.00 1.00 N ATOM 578 CA VAL A 38 -5.755 22.528 -11.950 1.00 1.00 C ATOM 579 C VAL A 38 -4.724 21.575 -11.346 1.00 1.00 C ATOM 580 O VAL A 38 -4.920 21.034 -10.258 1.00 1.00 O ATOM 581 CB VAL A 38 -5.832 23.839 -11.118 1.00 1.00 C ATOM 582 CG1 VAL A 38 -6.813 23.705 -9.971 1.00 1.00 C ATOM 583 CG2 VAL A 38 -4.461 24.246 -10.592 1.00 1.00 C ATOM 0 H VAL A 38 -7.275 21.271 -11.251 1.00 1.00 H new ATOM 0 HA VAL A 38 -5.441 22.784 -12.962 1.00 1.00 H new ATOM 0 HB VAL A 38 -6.188 24.623 -11.787 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -6.844 24.638 -9.408 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -7.805 23.485 -10.365 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -6.496 22.895 -9.314 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -4.551 25.166 -10.015 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -4.066 23.455 -9.954 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -3.783 24.408 -11.430 1.00 1.00 H new ATOM 593 N ARG A 39 -3.643 21.344 -12.082 1.00 1.00 N ATOM 594 CA ARG A 39 -2.587 20.453 -11.637 1.00 1.00 C ATOM 595 C ARG A 39 -1.566 21.234 -10.833 1.00 1.00 C ATOM 596 O ARG A 39 -1.249 22.383 -11.158 1.00 1.00 O ATOM 597 CB ARG A 39 -1.914 19.783 -12.835 1.00 1.00 C ATOM 598 CG ARG A 39 -2.888 19.089 -13.781 1.00 1.00 C ATOM 599 CD ARG A 39 -3.806 18.122 -13.044 1.00 1.00 C ATOM 600 NE ARG A 39 -4.526 17.220 -13.952 1.00 1.00 N ATOM 601 CZ ARG A 39 -5.495 16.380 -13.563 1.00 1.00 C ATOM 602 NH1 ARG A 39 -5.845 16.304 -12.284 1.00 1.00 N ATOM 603 NH2 ARG A 39 -6.096 15.601 -14.456 1.00 1.00 N ATOM 0 H ARG A 39 -3.478 21.767 -12.996 1.00 1.00 H new ATOM 0 HA ARG A 39 -3.021 19.676 -11.007 1.00 1.00 H new ATOM 0 HB2 ARG A 39 -1.354 20.534 -13.392 1.00 1.00 H new ATOM 0 HB3 ARG A 39 -1.192 19.052 -12.472 1.00 1.00 H new ATOM 0 HG2 ARG A 39 -3.489 19.838 -14.297 1.00 1.00 H new ATOM 0 HG3 ARG A 39 -2.329 18.548 -14.545 1.00 1.00 H new ATOM 0 HD2 ARG A 39 -3.217 17.531 -12.343 1.00 1.00 H new ATOM 0 HD3 ARG A 39 -4.527 18.689 -12.455 1.00 1.00 H new ATOM 0 HE ARG A 39 -4.273 17.234 -14.940 1.00 1.00 H new ATOM 0 HH11 ARG A 39 -5.375 16.887 -11.591 1.00 1.00 H new ATOM 0 HH12 ARG A 39 -6.583 15.663 -11.995 1.00 1.00 H new ATOM 0 HH21 ARG A 39 -5.820 15.643 -15.437 1.00 1.00 H new ATOM 0 HH22 ARG A 39 -6.834 14.961 -14.161 1.00 1.00 H new ATOM 617 N VAL A 40 -1.017 20.597 -9.823 1.00 1.00 N ATOM 618 CA VAL A 40 -0.062 21.244 -8.952 1.00 1.00 C ATOM 619 C VAL A 40 1.162 20.353 -8.756 1.00 1.00 C ATOM 620 O VAL A 40 1.065 19.199 -8.339 1.00 1.00 O ATOM 621 CB VAL A 40 -0.709 21.642 -7.601 1.00 1.00 C ATOM 622 CG1 VAL A 40 0.336 22.057 -6.590 1.00 1.00 C ATOM 623 CG2 VAL A 40 -1.708 22.768 -7.805 1.00 1.00 C ATOM 0 H VAL A 40 -1.217 19.626 -9.584 1.00 1.00 H new ATOM 0 HA VAL A 40 0.268 22.168 -9.426 1.00 1.00 H new ATOM 0 HB VAL A 40 -1.229 20.767 -7.212 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -0.151 22.330 -5.654 1.00 1.00 H new ATOM 0 HG12 VAL A 40 1.021 21.228 -6.414 1.00 1.00 H new ATOM 0 HG13 VAL A 40 0.892 22.913 -6.972 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -2.154 23.037 -6.847 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -1.198 23.636 -8.224 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -2.490 22.441 -8.490 1.00 1.00 H new ATOM 633 N THR A 41 2.304 20.917 -9.106 1.00 1.00 N ATOM 634 CA THR A 41 3.569 20.205 -9.101 1.00 1.00 C ATOM 635 C THR A 41 4.670 21.077 -8.511 1.00 1.00 C ATOM 636 O THR A 41 4.428 22.225 -8.148 1.00 1.00 O ATOM 637 CB THR A 41 3.965 19.811 -10.539 1.00 1.00 C ATOM 638 OG1 THR A 41 4.059 20.990 -11.351 1.00 1.00 O ATOM 639 CG2 THR A 41 2.950 18.865 -11.161 1.00 1.00 C ATOM 0 H THR A 41 2.380 21.890 -9.404 1.00 1.00 H new ATOM 0 HA THR A 41 3.449 19.309 -8.492 1.00 1.00 H new ATOM 0 HB THR A 41 4.927 19.301 -10.491 1.00 1.00 H new ATOM 0 HG1 THR A 41 4.312 20.739 -12.264 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.263 18.610 -12.173 1.00 1.00 H new ATOM 0 HG22 THR A 41 2.884 17.957 -10.562 1.00 1.00 H new ATOM 0 HG23 THR A 41 1.974 19.349 -11.194 1.00 1.00 H new ATOM 647 N SER A 42 5.893 20.574 -8.504 1.00 1.00 N ATOM 648 CA SER A 42 7.008 21.338 -7.982 1.00 1.00 C ATOM 649 C SER A 42 8.322 20.773 -8.501 1.00 1.00 C ATOM 650 O SER A 42 8.340 19.696 -9.107 1.00 1.00 O ATOM 651 CB SER A 42 6.981 21.332 -6.453 1.00 1.00 C ATOM 652 OG SER A 42 7.110 20.020 -5.940 1.00 1.00 O ATOM 0 H SER A 42 6.136 19.646 -8.852 1.00 1.00 H new ATOM 0 HA SER A 42 6.921 22.370 -8.323 1.00 1.00 H new ATOM 0 HB2 SER A 42 7.790 21.955 -6.071 1.00 1.00 H new ATOM 0 HB3 SER A 42 6.047 21.771 -6.102 1.00 1.00 H new ATOM 0 HG SER A 42 6.224 19.607 -5.871 1.00 1.00 H new ATOM 658 N ALA A 43 9.404 21.529 -8.338 1.00 1.00 N ATOM 659 CA ALA A 43 10.711 21.101 -8.804 1.00 1.00 C ATOM 660 C ALA A 43 11.823 21.937 -8.182 1.00 1.00 C ATOM 661 O ALA A 43 11.572 22.962 -7.540 1.00 1.00 O ATOM 662 CB ALA A 43 10.788 21.207 -10.314 1.00 1.00 C ATOM 0 H ALA A 43 9.397 22.443 -7.885 1.00 1.00 H new ATOM 0 HA ALA A 43 10.847 20.063 -8.500 1.00 1.00 H new ATOM 0 HB1 ALA A 43 11.773 20.883 -10.652 1.00 1.00 H new ATOM 0 HB2 ALA A 43 10.024 20.572 -10.763 1.00 1.00 H new ATOM 0 HB3 ALA A 43 10.623 22.242 -10.615 1.00 1.00 H new ATOM 668 N GLY A 44 13.048 21.466 -8.355 1.00 1.00 N ATOM 669 CA GLY A 44 14.209 22.174 -7.864 1.00 1.00 C ATOM 670 C GLY A 44 15.209 22.408 -8.972 1.00 1.00 C ATOM 671 O GLY A 44 15.523 21.489 -9.729 1.00 1.00 O ATOM 0 H GLY A 44 13.259 20.591 -8.835 1.00 1.00 H new ATOM 0 HA2 GLY A 44 13.903 23.129 -7.437 1.00 1.00 H new ATOM 0 HA3 GLY A 44 14.676 21.602 -7.062 1.00 1.00 H new ATOM 675 N THR A 45 15.710 23.632 -9.078 1.00 1.00 N ATOM 676 CA THR A 45 16.639 23.991 -10.143 1.00 1.00 C ATOM 677 C THR A 45 17.997 23.300 -9.972 1.00 1.00 C ATOM 678 O THR A 45 18.745 23.135 -10.934 1.00 1.00 O ATOM 679 CB THR A 45 16.854 25.517 -10.185 1.00 1.00 C ATOM 680 OG1 THR A 45 17.181 25.996 -8.871 1.00 1.00 O ATOM 681 CG2 THR A 45 15.612 26.233 -10.695 1.00 1.00 C ATOM 0 H THR A 45 15.488 24.395 -8.438 1.00 1.00 H new ATOM 0 HA THR A 45 16.193 23.654 -11.079 1.00 1.00 H new ATOM 0 HB THR A 45 17.676 25.727 -10.870 1.00 1.00 H new ATOM 0 HG1 THR A 45 17.759 26.784 -8.945 1.00 1.00 H new ATOM 0 HG21 THR A 45 15.793 27.308 -10.714 1.00 1.00 H new ATOM 0 HG22 THR A 45 15.380 25.887 -11.702 1.00 1.00 H new ATOM 0 HG23 THR A 45 14.771 26.018 -10.035 1.00 1.00 H new ATOM 689 N GLY A 46 18.302 22.901 -8.738 1.00 1.00 N ATOM 690 CA GLY A 46 19.583 22.278 -8.451 1.00 1.00 C ATOM 691 C GLY A 46 19.462 20.813 -8.071 1.00 1.00 C ATOM 692 O GLY A 46 20.430 20.218 -7.605 1.00 1.00 O ATOM 0 H GLY A 46 17.684 22.999 -7.932 1.00 1.00 H new ATOM 0 HA2 GLY A 46 20.228 22.368 -9.325 1.00 1.00 H new ATOM 0 HA3 GLY A 46 20.069 22.819 -7.639 1.00 1.00 H new ATOM 696 N ASN A 47 18.256 20.259 -8.234 1.00 1.00 N ATOM 697 CA ASN A 47 17.966 18.831 -7.971 1.00 1.00 C ATOM 698 C ASN A 47 18.585 18.292 -6.669 1.00 1.00 C ATOM 699 O ASN A 47 18.907 17.110 -6.590 1.00 1.00 O ATOM 700 CB ASN A 47 18.400 17.953 -9.167 1.00 1.00 C ATOM 701 CG ASN A 47 19.907 17.888 -9.402 1.00 1.00 C ATOM 702 OD1 ASN A 47 20.470 18.695 -10.143 1.00 1.00 O ATOM 703 ND2 ASN A 47 20.562 16.913 -8.791 1.00 1.00 N ATOM 0 H ASN A 47 17.443 20.786 -8.554 1.00 1.00 H new ATOM 0 HA ASN A 47 16.885 18.774 -7.841 1.00 1.00 H new ATOM 0 HB2 ASN A 47 18.027 16.941 -9.010 1.00 1.00 H new ATOM 0 HB3 ASN A 47 17.922 18.332 -10.070 1.00 1.00 H new ATOM 0 HD21 ASN A 47 21.568 16.811 -8.927 1.00 1.00 H new ATOM 0 HD22 ASN A 47 20.061 16.264 -8.185 1.00 1.00 H new ATOM 710 N TRP A 48 18.606 19.120 -5.620 1.00 1.00 N ATOM 711 CA TRP A 48 19.162 18.739 -4.313 1.00 1.00 C ATOM 712 C TRP A 48 18.696 17.356 -3.863 1.00 1.00 C ATOM 713 O TRP A 48 19.462 16.396 -3.845 1.00 1.00 O ATOM 714 CB TRP A 48 18.740 19.764 -3.254 1.00 1.00 C ATOM 715 CG TRP A 48 19.820 20.711 -2.824 1.00 1.00 C ATOM 716 CD1 TRP A 48 20.411 20.756 -1.596 1.00 1.00 C ATOM 717 CD2 TRP A 48 20.426 21.752 -3.601 1.00 1.00 C ATOM 718 NE1 TRP A 48 21.341 21.764 -1.556 1.00 1.00 N ATOM 719 CE2 TRP A 48 21.373 22.388 -2.775 1.00 1.00 C ATOM 720 CE3 TRP A 48 20.263 22.211 -4.909 1.00 1.00 C ATOM 721 CZ2 TRP A 48 22.152 23.455 -3.217 1.00 1.00 C ATOM 722 CZ3 TRP A 48 21.036 23.268 -5.346 1.00 1.00 C ATOM 723 CH2 TRP A 48 21.970 23.879 -4.504 1.00 1.00 C ATOM 0 H TRP A 48 18.240 20.071 -5.650 1.00 1.00 H new ATOM 0 HA TRP A 48 20.246 18.714 -4.422 1.00 1.00 H new ATOM 0 HB2 TRP A 48 17.903 20.344 -3.644 1.00 1.00 H new ATOM 0 HB3 TRP A 48 18.376 19.229 -2.377 1.00 1.00 H new ATOM 0 HD1 TRP A 48 20.181 20.094 -0.774 1.00 1.00 H new ATOM 0 HE1 TRP A 48 21.915 22.009 -0.749 1.00 1.00 H new ATOM 0 HE3 TRP A 48 19.544 21.747 -5.568 1.00 1.00 H new ATOM 0 HZ2 TRP A 48 22.873 23.929 -2.567 1.00 1.00 H new ATOM 0 HZ3 TRP A 48 20.917 23.630 -6.357 1.00 1.00 H new ATOM 0 HH2 TRP A 48 22.560 24.703 -4.878 1.00 1.00 H new ATOM 734 N HIS A 49 17.442 17.289 -3.457 1.00 1.00 N ATOM 735 CA HIS A 49 16.857 16.043 -2.994 1.00 1.00 C ATOM 736 C HIS A 49 15.902 15.473 -4.025 1.00 1.00 C ATOM 737 O HIS A 49 14.850 14.948 -3.677 1.00 1.00 O ATOM 738 CB HIS A 49 16.128 16.237 -1.661 1.00 1.00 C ATOM 739 CG HIS A 49 17.019 16.158 -0.459 1.00 1.00 C ATOM 740 ND1 HIS A 49 16.989 15.102 0.426 1.00 1.00 N ATOM 741 CD2 HIS A 49 17.951 17.018 0.016 1.00 1.00 C ATOM 742 CE1 HIS A 49 17.862 15.317 1.391 1.00 1.00 C ATOM 743 NE2 HIS A 49 18.460 16.473 1.168 1.00 1.00 N ATOM 0 H HIS A 49 16.806 18.086 -3.438 1.00 1.00 H new ATOM 0 HA HIS A 49 17.673 15.336 -2.845 1.00 1.00 H new ATOM 0 HB2 HIS A 49 15.631 17.207 -1.669 1.00 1.00 H new ATOM 0 HB3 HIS A 49 15.348 15.481 -1.572 1.00 1.00 H new ATOM 0 HD2 HIS A 49 18.240 17.958 -0.429 1.00 1.00 H new ATOM 0 HE1 HIS A 49 18.055 14.658 2.224 1.00 1.00 H new ATOM 0 HE2 HIS A 49 19.181 16.892 1.755 1.00 1.00 H new ATOM 752 N VAL A 50 16.279 15.549 -5.292 1.00 1.00 N ATOM 753 CA VAL A 50 15.435 15.009 -6.353 1.00 1.00 C ATOM 754 C VAL A 50 15.218 13.502 -6.149 1.00 1.00 C ATOM 755 O VAL A 50 16.165 12.760 -5.880 1.00 1.00 O ATOM 756 CB VAL A 50 16.030 15.288 -7.759 1.00 1.00 C ATOM 757 CG1 VAL A 50 17.373 14.599 -7.942 1.00 1.00 C ATOM 758 CG2 VAL A 50 15.066 14.863 -8.853 1.00 1.00 C ATOM 0 H VAL A 50 17.151 15.972 -5.610 1.00 1.00 H new ATOM 0 HA VAL A 50 14.471 15.515 -6.299 1.00 1.00 H new ATOM 0 HB VAL A 50 16.189 16.364 -7.836 1.00 1.00 H new ATOM 0 HG11 VAL A 50 17.761 14.816 -8.937 1.00 1.00 H new ATOM 0 HG12 VAL A 50 18.075 14.964 -7.192 1.00 1.00 H new ATOM 0 HG13 VAL A 50 17.248 13.522 -7.828 1.00 1.00 H new ATOM 0 HG21 VAL A 50 15.508 15.070 -9.828 1.00 1.00 H new ATOM 0 HG22 VAL A 50 14.864 13.796 -8.765 1.00 1.00 H new ATOM 0 HG23 VAL A 50 14.134 15.418 -8.752 1.00 1.00 H new ATOM 768 N GLY A 51 13.960 13.071 -6.187 1.00 1.00 N ATOM 769 CA GLY A 51 13.640 11.674 -5.954 1.00 1.00 C ATOM 770 C GLY A 51 13.356 11.397 -4.495 1.00 1.00 C ATOM 771 O GLY A 51 12.833 10.343 -4.148 1.00 1.00 O ATOM 0 H GLY A 51 13.154 13.667 -6.376 1.00 1.00 H new ATOM 0 HA2 GLY A 51 12.772 11.396 -6.552 1.00 1.00 H new ATOM 0 HA3 GLY A 51 14.470 11.051 -6.287 1.00 1.00 H new ATOM 775 N SER A 52 13.705 12.349 -3.641 1.00 1.00 N ATOM 776 CA SER A 52 13.465 12.218 -2.213 1.00 1.00 C ATOM 777 C SER A 52 12.013 12.568 -1.903 1.00 1.00 C ATOM 778 O SER A 52 11.182 12.683 -2.806 1.00 1.00 O ATOM 779 CB SER A 52 14.402 13.133 -1.425 1.00 1.00 C ATOM 780 OG SER A 52 14.610 12.671 -0.098 1.00 1.00 O ATOM 0 H SER A 52 14.156 13.222 -3.914 1.00 1.00 H new ATOM 0 HA SER A 52 13.660 11.187 -1.917 1.00 1.00 H new ATOM 0 HB2 SER A 52 15.361 13.199 -1.940 1.00 1.00 H new ATOM 0 HB3 SER A 52 13.985 14.140 -1.397 1.00 1.00 H new ATOM 0 HG SER A 52 15.273 13.240 0.346 1.00 1.00 H new ATOM 786 N CYS A 53 11.751 12.867 -0.650 1.00 1.00 N ATOM 787 CA CYS A 53 10.418 13.194 -0.209 1.00 1.00 C ATOM 788 C CYS A 53 10.460 14.529 0.507 1.00 1.00 C ATOM 789 O CYS A 53 11.530 15.120 0.640 1.00 1.00 O ATOM 790 CB CYS A 53 9.904 12.095 0.722 1.00 1.00 C ATOM 791 SG CYS A 53 8.148 12.217 1.150 1.00 1.00 S ATOM 0 H CYS A 53 12.455 12.890 0.088 1.00 1.00 H new ATOM 0 HA CYS A 53 9.741 13.265 -1.060 1.00 1.00 H new ATOM 0 HB2 CYS A 53 10.082 11.128 0.252 1.00 1.00 H new ATOM 0 HB3 CYS A 53 10.489 12.115 1.641 1.00 1.00 H new ATOM 0 HG CYS A 53 7.455 12.450 0.075 1.00 1.00 H new ATOM 797 N ALA A 54 9.303 15.035 0.896 1.00 1.00 N ATOM 798 CA ALA A 54 9.238 16.302 1.603 1.00 1.00 C ATOM 799 C ALA A 54 10.083 16.250 2.868 1.00 1.00 C ATOM 800 O ALA A 54 10.114 15.230 3.558 1.00 1.00 O ATOM 801 CB ALA A 54 7.799 16.646 1.928 1.00 1.00 C ATOM 0 H ALA A 54 8.399 14.590 0.735 1.00 1.00 H new ATOM 0 HA ALA A 54 9.641 17.084 0.960 1.00 1.00 H new ATOM 0 HB1 ALA A 54 7.763 17.598 2.458 1.00 1.00 H new ATOM 0 HB2 ALA A 54 7.226 16.723 1.004 1.00 1.00 H new ATOM 0 HB3 ALA A 54 7.371 15.865 2.556 1.00 1.00 H new ATOM 807 N ASP A 55 10.764 17.352 3.162 1.00 1.00 N ATOM 808 CA ASP A 55 11.653 17.404 4.312 1.00 1.00 C ATOM 809 C ASP A 55 10.882 17.190 5.600 1.00 1.00 C ATOM 810 O ASP A 55 9.733 17.629 5.736 1.00 1.00 O ATOM 811 CB ASP A 55 12.413 18.731 4.386 1.00 1.00 C ATOM 812 CG ASP A 55 13.521 18.685 5.424 1.00 1.00 C ATOM 813 OD1 ASP A 55 14.622 18.189 5.108 1.00 1.00 O ATOM 814 OD2 ASP A 55 13.286 19.132 6.566 1.00 1.00 O ATOM 0 H ASP A 55 10.717 18.216 2.622 1.00 1.00 H new ATOM 0 HA ASP A 55 12.379 16.601 4.187 1.00 1.00 H new ATOM 0 HB2 ASP A 55 12.838 18.962 3.409 1.00 1.00 H new ATOM 0 HB3 ASP A 55 11.719 19.535 4.630 1.00 1.00 H new ATOM 819 N GLU A 56 11.523 16.495 6.526 1.00 1.00 N ATOM 820 CA GLU A 56 10.954 16.182 7.830 1.00 1.00 C ATOM 821 C GLU A 56 10.306 17.393 8.500 1.00 1.00 C ATOM 822 O GLU A 56 9.252 17.260 9.119 1.00 1.00 O ATOM 823 CB GLU A 56 12.050 15.627 8.733 1.00 1.00 C ATOM 824 CG GLU A 56 13.181 16.608 8.974 1.00 1.00 C ATOM 825 CD GLU A 56 14.303 16.006 9.781 1.00 1.00 C ATOM 826 OE1 GLU A 56 14.029 15.452 10.865 1.00 1.00 O ATOM 827 OE2 GLU A 56 15.465 16.083 9.333 1.00 1.00 O ATOM 0 H GLU A 56 12.465 16.127 6.393 1.00 1.00 H new ATOM 0 HA GLU A 56 10.167 15.444 7.674 1.00 1.00 H new ATOM 0 HB2 GLU A 56 11.614 15.344 9.691 1.00 1.00 H new ATOM 0 HB3 GLU A 56 12.455 14.719 8.286 1.00 1.00 H new ATOM 0 HG2 GLU A 56 13.570 16.952 8.016 1.00 1.00 H new ATOM 0 HG3 GLU A 56 12.793 17.484 9.493 1.00 1.00 H new ATOM 834 N ARG A 57 10.888 18.577 8.327 1.00 1.00 N ATOM 835 CA ARG A 57 10.378 19.766 8.988 1.00 1.00 C ATOM 836 C ARG A 57 9.033 20.176 8.397 1.00 1.00 C ATOM 837 O ARG A 57 8.058 20.346 9.124 1.00 1.00 O ATOM 838 CB ARG A 57 11.397 20.908 8.860 1.00 1.00 C ATOM 839 CG ARG A 57 11.630 21.375 7.430 1.00 1.00 C ATOM 840 CD ARG A 57 12.820 22.314 7.312 1.00 1.00 C ATOM 841 NE ARG A 57 14.086 21.587 7.332 1.00 1.00 N ATOM 842 CZ ARG A 57 15.277 22.157 7.507 1.00 1.00 C ATOM 843 NH1 ARG A 57 15.372 23.469 7.703 1.00 1.00 N ATOM 844 NH2 ARG A 57 16.372 21.405 7.501 1.00 1.00 N ATOM 0 H ARG A 57 11.706 18.734 7.739 1.00 1.00 H new ATOM 0 HA ARG A 57 10.227 19.545 10.044 1.00 1.00 H new ATOM 0 HB2 ARG A 57 11.055 21.754 9.456 1.00 1.00 H new ATOM 0 HB3 ARG A 57 12.347 20.582 9.284 1.00 1.00 H new ATOM 0 HG2 ARG A 57 11.790 20.508 6.789 1.00 1.00 H new ATOM 0 HG3 ARG A 57 10.735 21.880 7.065 1.00 1.00 H new ATOM 0 HD2 ARG A 57 12.743 22.885 6.387 1.00 1.00 H new ATOM 0 HD3 ARG A 57 12.800 23.032 8.132 1.00 1.00 H new ATOM 0 HE ARG A 57 14.056 20.576 7.203 1.00 1.00 H new ATOM 0 HH11 ARG A 57 14.530 24.044 7.720 1.00 1.00 H new ATOM 0 HH12 ARG A 57 16.287 23.900 7.836 1.00 1.00 H new ATOM 0 HH21 ARG A 57 16.298 20.397 7.363 1.00 1.00 H new ATOM 0 HH22 ARG A 57 17.287 21.835 7.634 1.00 1.00 H new ATOM 858 N ALA A 58 8.960 20.208 7.071 1.00 1.00 N ATOM 859 CA ALA A 58 7.755 20.629 6.373 1.00 1.00 C ATOM 860 C ALA A 58 6.668 19.577 6.508 1.00 1.00 C ATOM 861 O ALA A 58 5.479 19.892 6.538 1.00 1.00 O ATOM 862 CB ALA A 58 8.078 20.904 4.915 1.00 1.00 C ATOM 0 H ALA A 58 9.729 19.945 6.455 1.00 1.00 H new ATOM 0 HA ALA A 58 7.381 21.549 6.823 1.00 1.00 H new ATOM 0 HB1 ALA A 58 7.173 21.219 4.395 1.00 1.00 H new ATOM 0 HB2 ALA A 58 8.827 21.693 4.851 1.00 1.00 H new ATOM 0 HB3 ALA A 58 8.466 19.997 4.451 1.00 1.00 H new ATOM 868 N ALA A 59 7.087 18.321 6.585 1.00 1.00 N ATOM 869 CA ALA A 59 6.161 17.226 6.794 1.00 1.00 C ATOM 870 C ALA A 59 5.437 17.433 8.107 1.00 1.00 C ATOM 871 O ALA A 59 4.221 17.602 8.119 1.00 1.00 O ATOM 872 CB ALA A 59 6.888 15.889 6.785 1.00 1.00 C ATOM 0 H ALA A 59 8.064 18.039 6.505 1.00 1.00 H new ATOM 0 HA ALA A 59 5.436 17.210 5.980 1.00 1.00 H new ATOM 0 HB1 ALA A 59 6.171 15.084 6.944 1.00 1.00 H new ATOM 0 HB2 ALA A 59 7.382 15.750 5.824 1.00 1.00 H new ATOM 0 HB3 ALA A 59 7.632 15.874 7.581 1.00 1.00 H new ATOM 878 N GLY A 60 6.208 17.588 9.174 1.00 1.00 N ATOM 879 CA GLY A 60 5.640 17.788 10.483 1.00 1.00 C ATOM 880 C GLY A 60 4.748 19.008 10.531 1.00 1.00 C ATOM 881 O GLY A 60 3.697 18.977 11.152 1.00 1.00 O ATOM 0 H GLY A 60 7.228 17.578 9.150 1.00 1.00 H new ATOM 0 HA2 GLY A 60 5.065 16.907 10.768 1.00 1.00 H new ATOM 0 HA3 GLY A 60 6.442 17.895 11.214 1.00 1.00 H new ATOM 885 N VAL A 61 5.168 20.072 9.859 1.00 1.00 N ATOM 886 CA VAL A 61 4.376 21.293 9.783 1.00 1.00 C ATOM 887 C VAL A 61 3.008 21.020 9.161 1.00 1.00 C ATOM 888 O VAL A 61 1.967 21.206 9.802 1.00 1.00 O ATOM 889 CB VAL A 61 5.109 22.375 8.952 1.00 1.00 C ATOM 890 CG1 VAL A 61 4.264 23.614 8.790 1.00 1.00 C ATOM 891 CG2 VAL A 61 6.435 22.738 9.585 1.00 1.00 C ATOM 0 H VAL A 61 6.055 20.114 9.357 1.00 1.00 H new ATOM 0 HA VAL A 61 4.238 21.656 10.801 1.00 1.00 H new ATOM 0 HB VAL A 61 5.292 21.952 7.964 1.00 1.00 H new ATOM 0 HG11 VAL A 61 4.809 24.352 8.202 1.00 1.00 H new ATOM 0 HG12 VAL A 61 3.336 23.357 8.279 1.00 1.00 H new ATOM 0 HG13 VAL A 61 4.035 24.029 9.771 1.00 1.00 H new ATOM 0 HG21 VAL A 61 6.930 23.500 8.982 1.00 1.00 H new ATOM 0 HG22 VAL A 61 6.265 23.125 10.590 1.00 1.00 H new ATOM 0 HG23 VAL A 61 7.067 21.852 9.640 1.00 1.00 H new ATOM 901 N LEU A 62 3.020 20.514 7.938 1.00 1.00 N ATOM 902 CA LEU A 62 1.797 20.253 7.199 1.00 1.00 C ATOM 903 C LEU A 62 0.902 19.266 7.929 1.00 1.00 C ATOM 904 O LEU A 62 -0.256 19.564 8.214 1.00 1.00 O ATOM 905 CB LEU A 62 2.140 19.733 5.804 1.00 1.00 C ATOM 906 CG LEU A 62 2.831 20.752 4.898 1.00 1.00 C ATOM 907 CD1 LEU A 62 3.168 20.139 3.552 1.00 1.00 C ATOM 908 CD2 LEU A 62 1.956 21.982 4.720 1.00 1.00 C ATOM 0 H LEU A 62 3.873 20.274 7.433 1.00 1.00 H new ATOM 0 HA LEU A 62 1.246 21.189 7.111 1.00 1.00 H new ATOM 0 HB2 LEU A 62 2.784 18.860 5.904 1.00 1.00 H new ATOM 0 HB3 LEU A 62 1.223 19.398 5.319 1.00 1.00 H new ATOM 0 HG LEU A 62 3.763 21.055 5.375 1.00 1.00 H new ATOM 0 HD11 LEU A 62 3.659 20.884 2.926 1.00 1.00 H new ATOM 0 HD12 LEU A 62 3.835 19.289 3.696 1.00 1.00 H new ATOM 0 HD13 LEU A 62 2.252 19.803 3.066 1.00 1.00 H new ATOM 0 HD21 LEU A 62 2.462 22.698 4.072 1.00 1.00 H new ATOM 0 HD22 LEU A 62 1.007 21.691 4.268 1.00 1.00 H new ATOM 0 HD23 LEU A 62 1.770 22.440 5.692 1.00 1.00 H new ATOM 920 N ARG A 63 1.468 18.129 8.295 1.00 1.00 N ATOM 921 CA ARG A 63 0.716 17.088 8.983 1.00 1.00 C ATOM 922 C ARG A 63 0.183 17.599 10.315 1.00 1.00 C ATOM 923 O ARG A 63 -0.917 17.232 10.730 1.00 1.00 O ATOM 924 CB ARG A 63 1.586 15.855 9.178 1.00 1.00 C ATOM 925 CG ARG A 63 2.792 16.095 10.044 1.00 1.00 C ATOM 926 CD ARG A 63 2.565 15.778 11.497 1.00 1.00 C ATOM 927 NE ARG A 63 1.798 14.548 11.707 1.00 1.00 N ATOM 928 CZ ARG A 63 1.254 14.207 12.878 1.00 1.00 C ATOM 929 NH1 ARG A 63 1.476 14.950 13.956 1.00 1.00 N ATOM 930 NH2 ARG A 63 0.511 13.110 12.974 1.00 1.00 N ATOM 0 H ARG A 63 2.448 17.901 8.128 1.00 1.00 H new ATOM 0 HA ARG A 63 -0.140 16.810 8.368 1.00 1.00 H new ATOM 0 HB2 ARG A 63 0.983 15.063 9.622 1.00 1.00 H new ATOM 0 HB3 ARG A 63 1.916 15.496 8.203 1.00 1.00 H new ATOM 0 HG2 ARG A 63 3.620 15.490 9.674 1.00 1.00 H new ATOM 0 HG3 ARG A 63 3.093 17.139 9.951 1.00 1.00 H new ATOM 0 HD2 ARG A 63 3.529 15.687 11.997 1.00 1.00 H new ATOM 0 HD3 ARG A 63 2.040 16.610 11.966 1.00 1.00 H new ATOM 0 HE ARG A 63 1.672 13.917 10.915 1.00 1.00 H new ATOM 0 HH11 ARG A 63 2.062 15.782 13.890 1.00 1.00 H new ATOM 0 HH12 ARG A 63 1.060 14.689 14.850 1.00 1.00 H new ATOM 0 HH21 ARG A 63 0.355 12.526 12.152 1.00 1.00 H new ATOM 0 HH22 ARG A 63 0.097 12.852 13.869 1.00 1.00 H new ATOM 944 N ALA A 64 0.940 18.487 10.961 1.00 1.00 N ATOM 945 CA ALA A 64 0.513 19.053 12.234 1.00 1.00 C ATOM 946 C ALA A 64 -0.770 19.847 12.064 1.00 1.00 C ATOM 947 O ALA A 64 -1.626 19.869 12.944 1.00 1.00 O ATOM 948 CB ALA A 64 1.576 19.952 12.848 1.00 1.00 C ATOM 0 H ALA A 64 1.842 18.825 10.625 1.00 1.00 H new ATOM 0 HA ALA A 64 0.343 18.213 12.908 1.00 1.00 H new ATOM 0 HB1 ALA A 64 1.213 20.351 13.795 1.00 1.00 H new ATOM 0 HB2 ALA A 64 2.484 19.375 13.022 1.00 1.00 H new ATOM 0 HB3 ALA A 64 1.794 20.775 12.168 1.00 1.00 H new ATOM 954 N HIS A 65 -0.913 20.464 10.899 1.00 1.00 N ATOM 955 CA HIS A 65 -2.076 21.291 10.626 1.00 1.00 C ATOM 956 C HIS A 65 -3.150 20.500 9.878 1.00 1.00 C ATOM 957 O HIS A 65 -4.200 21.036 9.530 1.00 1.00 O ATOM 958 CB HIS A 65 -1.667 22.549 9.846 1.00 1.00 C ATOM 959 CG HIS A 65 -0.791 23.472 10.643 1.00 1.00 C ATOM 960 ND1 HIS A 65 -1.277 24.295 11.634 1.00 1.00 N ATOM 961 CD2 HIS A 65 0.550 23.672 10.619 1.00 1.00 C ATOM 962 CE1 HIS A 65 -0.276 24.954 12.186 1.00 1.00 C ATOM 963 NE2 HIS A 65 0.843 24.596 11.589 1.00 1.00 N ATOM 0 H HIS A 65 -0.242 20.407 10.133 1.00 1.00 H new ATOM 0 HA HIS A 65 -2.505 21.605 11.578 1.00 1.00 H new ATOM 0 HB2 HIS A 65 -1.142 22.253 8.938 1.00 1.00 H new ATOM 0 HB3 HIS A 65 -2.564 23.085 9.536 1.00 1.00 H new ATOM 0 HD2 HIS A 65 1.257 23.192 9.958 1.00 1.00 H new ATOM 0 HE1 HIS A 65 -0.360 25.668 12.992 1.00 1.00 H new ATOM 0 HE2 HIS A 65 1.774 24.948 11.812 1.00 1.00 H new ATOM 972 N GLY A 66 -2.883 19.217 9.649 1.00 1.00 N ATOM 973 CA GLY A 66 -3.860 18.352 9.005 1.00 1.00 C ATOM 974 C GLY A 66 -3.678 18.246 7.503 1.00 1.00 C ATOM 975 O GLY A 66 -4.524 17.679 6.810 1.00 1.00 O ATOM 0 H GLY A 66 -2.006 18.759 9.898 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -3.795 17.356 9.442 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -4.861 18.728 9.216 1.00 1.00 H new ATOM 979 N TYR A 67 -2.573 18.773 7.007 1.00 1.00 N ATOM 980 CA TYR A 67 -2.276 18.726 5.581 1.00 1.00 C ATOM 981 C TYR A 67 -1.477 17.468 5.254 1.00 1.00 C ATOM 982 O TYR A 67 -0.782 16.934 6.118 1.00 1.00 O ATOM 983 CB TYR A 67 -1.488 19.966 5.150 1.00 1.00 C ATOM 984 CG TYR A 67 -2.312 21.226 5.048 1.00 1.00 C ATOM 985 CD1 TYR A 67 -2.991 21.535 3.878 1.00 1.00 C ATOM 986 CD2 TYR A 67 -2.399 22.111 6.113 1.00 1.00 C ATOM 987 CE1 TYR A 67 -3.738 22.690 3.773 1.00 1.00 C ATOM 988 CE2 TYR A 67 -3.142 23.271 6.015 1.00 1.00 C ATOM 989 CZ TYR A 67 -3.811 23.554 4.840 1.00 1.00 C ATOM 990 OH TYR A 67 -4.549 24.710 4.729 1.00 1.00 O ATOM 0 H TYR A 67 -1.863 19.241 7.570 1.00 1.00 H new ATOM 0 HA TYR A 67 -3.219 18.706 5.035 1.00 1.00 H new ATOM 0 HB2 TYR A 67 -0.679 20.132 5.861 1.00 1.00 H new ATOM 0 HB3 TYR A 67 -1.026 19.769 4.182 1.00 1.00 H new ATOM 0 HD1 TYR A 67 -2.934 20.861 3.036 1.00 1.00 H new ATOM 0 HD2 TYR A 67 -1.878 21.889 7.033 1.00 1.00 H new ATOM 0 HE1 TYR A 67 -4.263 22.915 2.856 1.00 1.00 H new ATOM 0 HE2 TYR A 67 -3.200 23.952 6.851 1.00 1.00 H new ATOM 0 HH TYR A 67 -4.500 25.211 5.570 1.00 1.00 H new ATOM 1000 N PRO A 68 -1.591 16.951 4.020 1.00 1.00 N ATOM 1001 CA PRO A 68 -0.812 15.794 3.586 1.00 1.00 C ATOM 1002 C PRO A 68 0.657 16.140 3.497 1.00 1.00 C ATOM 1003 O PRO A 68 1.023 17.306 3.339 1.00 1.00 O ATOM 1004 CB PRO A 68 -1.368 15.468 2.200 1.00 1.00 C ATOM 1005 CG PRO A 68 -1.988 16.737 1.731 1.00 1.00 C ATOM 1006 CD PRO A 68 -2.486 17.439 2.963 1.00 1.00 C ATOM 0 HA PRO A 68 -0.889 14.956 4.279 1.00 1.00 H new ATOM 0 HB2 PRO A 68 -0.578 15.140 1.524 1.00 1.00 H new ATOM 0 HB3 PRO A 68 -2.102 14.663 2.247 1.00 1.00 H new ATOM 0 HG2 PRO A 68 -1.262 17.352 1.199 1.00 1.00 H new ATOM 0 HG3 PRO A 68 -2.806 16.538 1.038 1.00 1.00 H new ATOM 0 HD2 PRO A 68 -2.430 18.522 2.858 1.00 1.00 H new ATOM 0 HD3 PRO A 68 -3.527 17.192 3.173 1.00 1.00 H new ATOM 1014 N THR A 69 1.506 15.138 3.569 1.00 1.00 N ATOM 1015 CA THR A 69 2.928 15.385 3.567 1.00 1.00 C ATOM 1016 C THR A 69 3.652 14.503 2.550 1.00 1.00 C ATOM 1017 O THR A 69 4.878 14.535 2.451 1.00 1.00 O ATOM 1018 CB THR A 69 3.504 15.158 4.981 1.00 1.00 C ATOM 1019 OG1 THR A 69 3.312 13.793 5.372 1.00 1.00 O ATOM 1020 CG2 THR A 69 2.822 16.070 5.993 1.00 1.00 C ATOM 0 H THR A 69 1.239 14.155 3.629 1.00 1.00 H new ATOM 0 HA THR A 69 3.088 16.423 3.275 1.00 1.00 H new ATOM 0 HB THR A 69 4.569 15.389 4.957 1.00 1.00 H new ATOM 0 HG1 THR A 69 3.681 13.655 6.269 1.00 1.00 H new ATOM 0 HG21 THR A 69 3.243 15.894 6.983 1.00 1.00 H new ATOM 0 HG22 THR A 69 2.982 17.111 5.711 1.00 1.00 H new ATOM 0 HG23 THR A 69 1.753 15.859 6.010 1.00 1.00 H new ATOM 1028 N ASP A 70 2.874 13.853 1.692 1.00 1.00 N ATOM 1029 CA ASP A 70 3.430 12.964 0.673 1.00 1.00 C ATOM 1030 C ASP A 70 3.924 13.776 -0.516 1.00 1.00 C ATOM 1031 O ASP A 70 3.230 14.679 -0.983 1.00 1.00 O ATOM 1032 CB ASP A 70 2.386 11.941 0.219 1.00 1.00 C ATOM 1033 CG ASP A 70 2.881 11.077 -0.927 1.00 1.00 C ATOM 1034 OD1 ASP A 70 3.841 10.304 -0.726 1.00 1.00 O ATOM 1035 OD2 ASP A 70 2.313 11.172 -2.038 1.00 1.00 O ATOM 0 H ASP A 70 1.857 13.923 1.680 1.00 1.00 H new ATOM 0 HA ASP A 70 4.272 12.424 1.107 1.00 1.00 H new ATOM 0 HB2 ASP A 70 2.116 11.303 1.061 1.00 1.00 H new ATOM 0 HB3 ASP A 70 1.480 12.463 -0.088 1.00 1.00 H new ATOM 1040 N HIS A 71 5.127 13.467 -0.984 1.00 1.00 N ATOM 1041 CA HIS A 71 5.752 14.217 -2.065 1.00 1.00 C ATOM 1042 C HIS A 71 6.990 13.495 -2.573 1.00 1.00 C ATOM 1043 O HIS A 71 7.640 12.764 -1.834 1.00 1.00 O ATOM 1044 CB HIS A 71 6.113 15.623 -1.557 1.00 1.00 C ATOM 1045 CG HIS A 71 7.061 16.408 -2.421 1.00 1.00 C ATOM 1046 ND1 HIS A 71 6.667 17.188 -3.482 1.00 1.00 N ATOM 1047 CD2 HIS A 71 8.403 16.549 -2.337 1.00 1.00 C ATOM 1048 CE1 HIS A 71 7.726 17.773 -4.012 1.00 1.00 C ATOM 1049 NE2 HIS A 71 8.794 17.408 -3.332 1.00 1.00 N ATOM 0 H HIS A 71 5.692 12.696 -0.628 1.00 1.00 H new ATOM 0 HA HIS A 71 5.053 14.302 -2.897 1.00 1.00 H new ATOM 0 HB2 HIS A 71 5.193 16.196 -1.447 1.00 1.00 H new ATOM 0 HB3 HIS A 71 6.551 15.528 -0.563 1.00 1.00 H new ATOM 0 HD1 HIS A 71 5.707 17.298 -3.809 1.00 1.00 H new ATOM 0 HD2 HIS A 71 9.050 16.071 -1.616 1.00 1.00 H new ATOM 0 HE1 HIS A 71 7.718 18.440 -4.862 1.00 1.00 H new ATOM 1058 N ARG A 72 7.308 13.715 -3.833 1.00 1.00 N ATOM 1059 CA ARG A 72 8.505 13.169 -4.426 1.00 1.00 C ATOM 1060 C ARG A 72 9.187 14.271 -5.207 1.00 1.00 C ATOM 1061 O ARG A 72 8.628 14.802 -6.169 1.00 1.00 O ATOM 1062 CB ARG A 72 8.192 11.993 -5.342 1.00 1.00 C ATOM 1063 CG ARG A 72 9.296 10.957 -5.348 1.00 1.00 C ATOM 1064 CD ARG A 72 9.454 10.349 -3.967 1.00 1.00 C ATOM 1065 NE ARG A 72 8.230 9.687 -3.514 1.00 1.00 N ATOM 1066 CZ ARG A 72 8.152 8.924 -2.427 1.00 1.00 C ATOM 1067 NH1 ARG A 72 9.239 8.678 -1.706 1.00 1.00 N ATOM 1068 NH2 ARG A 72 6.982 8.419 -2.056 1.00 1.00 N ATOM 0 H ARG A 72 6.743 14.276 -4.471 1.00 1.00 H new ATOM 0 HA ARG A 72 9.157 12.795 -3.637 1.00 1.00 H new ATOM 0 HB2 ARG A 72 7.260 11.525 -5.023 1.00 1.00 H new ATOM 0 HB3 ARG A 72 8.034 12.358 -6.357 1.00 1.00 H new ATOM 0 HG2 ARG A 72 9.067 10.176 -6.073 1.00 1.00 H new ATOM 0 HG3 ARG A 72 10.234 11.417 -5.660 1.00 1.00 H new ATOM 0 HD2 ARG A 72 10.272 9.629 -3.980 1.00 1.00 H new ATOM 0 HD3 ARG A 72 9.728 11.129 -3.257 1.00 1.00 H new ATOM 0 HE ARG A 72 7.383 9.819 -4.067 1.00 1.00 H new ATOM 0 HH11 ARG A 72 10.137 9.074 -1.985 1.00 1.00 H new ATOM 0 HH12 ARG A 72 9.177 8.093 -0.873 1.00 1.00 H new ATOM 0 HH21 ARG A 72 6.145 8.616 -2.604 1.00 1.00 H new ATOM 0 HH22 ARG A 72 6.920 7.834 -1.223 1.00 1.00 H new ATOM 1082 N ALA A 73 10.326 14.695 -4.703 1.00 1.00 N ATOM 1083 CA ALA A 73 11.053 15.805 -5.291 1.00 1.00 C ATOM 1084 C ALA A 73 11.457 15.528 -6.735 1.00 1.00 C ATOM 1085 O ALA A 73 11.874 14.425 -7.074 1.00 1.00 O ATOM 1086 CB ALA A 73 12.258 16.149 -4.440 1.00 1.00 C ATOM 0 H ALA A 73 10.773 14.286 -3.882 1.00 1.00 H new ATOM 0 HA ALA A 73 10.384 16.665 -5.315 1.00 1.00 H new ATOM 0 HB1 ALA A 73 12.796 16.983 -4.891 1.00 1.00 H new ATOM 0 HB2 ALA A 73 11.929 16.428 -3.439 1.00 1.00 H new ATOM 0 HB3 ALA A 73 12.918 15.284 -4.377 1.00 1.00 H new ATOM 1092 N ALA A 74 11.298 16.537 -7.572 1.00 1.00 N ATOM 1093 CA ALA A 74 11.660 16.449 -8.972 1.00 1.00 C ATOM 1094 C ALA A 74 12.499 17.650 -9.368 1.00 1.00 C ATOM 1095 O ALA A 74 12.511 18.664 -8.668 1.00 1.00 O ATOM 1096 CB ALA A 74 10.405 16.379 -9.827 1.00 1.00 C ATOM 0 H ALA A 74 10.914 17.441 -7.298 1.00 1.00 H new ATOM 0 HA ALA A 74 12.246 15.544 -9.132 1.00 1.00 H new ATOM 0 HB1 ALA A 74 10.684 16.313 -10.879 1.00 1.00 H new ATOM 0 HB2 ALA A 74 9.825 15.499 -9.550 1.00 1.00 H new ATOM 0 HB3 ALA A 74 9.805 17.275 -9.667 1.00 1.00 H new ATOM 1102 N GLN A 75 13.233 17.534 -10.462 1.00 1.00 N ATOM 1103 CA GLN A 75 14.058 18.630 -10.926 1.00 1.00 C ATOM 1104 C GLN A 75 13.308 19.391 -12.012 1.00 1.00 C ATOM 1105 O GLN A 75 12.385 18.850 -12.625 1.00 1.00 O ATOM 1106 CB GLN A 75 15.406 18.094 -11.428 1.00 1.00 C ATOM 1107 CG GLN A 75 16.211 19.082 -12.265 1.00 1.00 C ATOM 1108 CD GLN A 75 17.613 18.587 -12.568 1.00 1.00 C ATOM 1109 OE1 GLN A 75 17.852 17.383 -12.679 1.00 1.00 O ATOM 1110 NE2 GLN A 75 18.552 19.510 -12.696 1.00 1.00 N ATOM 0 H GLN A 75 13.273 16.695 -11.041 1.00 1.00 H new ATOM 0 HA GLN A 75 14.267 19.320 -10.108 1.00 1.00 H new ATOM 0 HB2 GLN A 75 16.005 17.794 -10.568 1.00 1.00 H new ATOM 0 HB3 GLN A 75 15.227 17.197 -12.021 1.00 1.00 H new ATOM 0 HG2 GLN A 75 15.686 19.270 -13.202 1.00 1.00 H new ATOM 0 HG3 GLN A 75 16.272 20.034 -11.737 1.00 1.00 H new ATOM 0 HE21 GLN A 75 18.314 20.497 -12.597 1.00 1.00 H new ATOM 0 HE22 GLN A 75 19.514 19.235 -12.894 1.00 1.00 H new ATOM 1119 N VAL A 76 13.634 20.658 -12.191 1.00 1.00 N ATOM 1120 CA VAL A 76 12.967 21.471 -13.192 1.00 1.00 C ATOM 1121 C VAL A 76 13.308 20.987 -14.593 1.00 1.00 C ATOM 1122 O VAL A 76 14.454 21.067 -15.030 1.00 1.00 O ATOM 1123 CB VAL A 76 13.356 22.950 -13.073 1.00 1.00 C ATOM 1124 CG1 VAL A 76 12.483 23.828 -13.927 1.00 1.00 C ATOM 1125 CG2 VAL A 76 13.325 23.412 -11.631 1.00 1.00 C ATOM 0 H VAL A 76 14.354 21.145 -11.658 1.00 1.00 H new ATOM 0 HA VAL A 76 11.896 21.373 -13.016 1.00 1.00 H new ATOM 0 HB VAL A 76 14.378 23.040 -13.440 1.00 1.00 H new ATOM 0 HG11 VAL A 76 12.791 24.867 -13.814 1.00 1.00 H new ATOM 0 HG12 VAL A 76 12.580 23.532 -14.972 1.00 1.00 H new ATOM 0 HG13 VAL A 76 11.444 23.722 -13.615 1.00 1.00 H new ATOM 0 HG21 VAL A 76 13.605 24.464 -11.580 1.00 1.00 H new ATOM 0 HG22 VAL A 76 12.320 23.284 -11.230 1.00 1.00 H new ATOM 0 HG23 VAL A 76 14.028 22.820 -11.044 1.00 1.00 H new ATOM 1135 N GLY A 77 12.302 20.470 -15.266 1.00 1.00 N ATOM 1136 CA GLY A 77 12.470 19.978 -16.613 1.00 1.00 C ATOM 1137 C GLY A 77 11.510 20.642 -17.569 1.00 1.00 C ATOM 1138 O GLY A 77 10.791 21.565 -17.180 1.00 1.00 O ATOM 0 H GLY A 77 11.355 20.380 -14.898 1.00 1.00 H new ATOM 0 HA2 GLY A 77 13.494 20.157 -16.941 1.00 1.00 H new ATOM 0 HA3 GLY A 77 12.314 18.899 -16.629 1.00 1.00 H new ATOM 1142 N THR A 78 11.429 20.119 -18.781 1.00 1.00 N ATOM 1143 CA THR A 78 10.575 20.683 -19.815 1.00 1.00 C ATOM 1144 C THR A 78 9.110 20.721 -19.375 1.00 1.00 C ATOM 1145 O THR A 78 8.436 21.735 -19.537 1.00 1.00 O ATOM 1146 CB THR A 78 10.717 19.870 -21.110 1.00 1.00 C ATOM 1147 OG1 THR A 78 12.076 19.920 -21.567 1.00 1.00 O ATOM 1148 CG2 THR A 78 9.783 20.386 -22.197 1.00 1.00 C ATOM 0 H THR A 78 11.951 19.294 -19.076 1.00 1.00 H new ATOM 0 HA THR A 78 10.895 21.710 -19.993 1.00 1.00 H new ATOM 0 HB THR A 78 10.441 18.838 -20.894 1.00 1.00 H new ATOM 0 HG1 THR A 78 12.163 19.399 -22.392 1.00 1.00 H new ATOM 0 HG21 THR A 78 9.910 19.788 -23.099 1.00 1.00 H new ATOM 0 HG22 THR A 78 8.751 20.312 -21.855 1.00 1.00 H new ATOM 0 HG23 THR A 78 10.019 21.427 -22.416 1.00 1.00 H new ATOM 1156 N GLU A 79 8.636 19.628 -18.777 1.00 1.00 N ATOM 1157 CA GLU A 79 7.260 19.556 -18.290 1.00 1.00 C ATOM 1158 C GLU A 79 6.991 20.628 -17.234 1.00 1.00 C ATOM 1159 O GLU A 79 5.865 21.108 -17.091 1.00 1.00 O ATOM 1160 CB GLU A 79 6.959 18.167 -17.720 1.00 1.00 C ATOM 1161 CG GLU A 79 7.868 17.761 -16.573 1.00 1.00 C ATOM 1162 CD GLU A 79 7.376 16.525 -15.849 1.00 1.00 C ATOM 1163 OE1 GLU A 79 7.555 15.413 -16.389 1.00 1.00 O ATOM 1164 OE2 GLU A 79 6.808 16.663 -14.747 1.00 1.00 O ATOM 0 H GLU A 79 9.184 18.782 -18.619 1.00 1.00 H new ATOM 0 HA GLU A 79 6.599 19.738 -19.138 1.00 1.00 H new ATOM 0 HB2 GLU A 79 5.925 18.142 -17.377 1.00 1.00 H new ATOM 0 HB3 GLU A 79 7.047 17.431 -18.519 1.00 1.00 H new ATOM 0 HG2 GLU A 79 8.871 17.577 -16.957 1.00 1.00 H new ATOM 0 HG3 GLU A 79 7.944 18.586 -15.865 1.00 1.00 H new ATOM 1171 N HIS A 80 8.036 21.022 -16.512 1.00 1.00 N ATOM 1172 CA HIS A 80 7.904 22.050 -15.489 1.00 1.00 C ATOM 1173 C HIS A 80 7.846 23.424 -16.144 1.00 1.00 C ATOM 1174 O HIS A 80 7.025 24.256 -15.783 1.00 1.00 O ATOM 1175 CB HIS A 80 9.038 21.963 -14.450 1.00 1.00 C ATOM 1176 CG HIS A 80 9.020 20.665 -13.688 1.00 1.00 C ATOM 1177 ND1 HIS A 80 9.591 19.495 -14.156 1.00 1.00 N ATOM 1178 CD2 HIS A 80 8.469 20.350 -12.489 1.00 1.00 C ATOM 1179 CE1 HIS A 80 9.392 18.528 -13.278 1.00 1.00 C ATOM 1180 NE2 HIS A 80 8.716 19.021 -12.260 1.00 1.00 N ATOM 0 H HIS A 80 8.978 20.646 -16.617 1.00 1.00 H new ATOM 0 HA HIS A 80 6.972 21.885 -14.948 1.00 1.00 H new ATOM 0 HB2 HIS A 80 9.998 22.072 -14.954 1.00 1.00 H new ATOM 0 HB3 HIS A 80 8.950 22.794 -13.750 1.00 1.00 H new ATOM 0 HD2 HIS A 80 7.934 21.023 -11.835 1.00 1.00 H new ATOM 0 HE1 HIS A 80 9.727 17.506 -13.378 1.00 1.00 H new ATOM 0 HE2 HIS A 80 8.424 18.498 -11.435 1.00 1.00 H new ATOM 1189 N LEU A 81 8.680 23.625 -17.151 1.00 1.00 N ATOM 1190 CA LEU A 81 8.694 24.872 -17.909 1.00 1.00 C ATOM 1191 C LEU A 81 7.428 25.000 -18.758 1.00 1.00 C ATOM 1192 O LEU A 81 7.172 26.044 -19.347 1.00 1.00 O ATOM 1193 CB LEU A 81 9.915 24.913 -18.816 1.00 1.00 C ATOM 1194 CG LEU A 81 11.224 24.537 -18.140 1.00 1.00 C ATOM 1195 CD1 LEU A 81 12.299 24.286 -19.180 1.00 1.00 C ATOM 1196 CD2 LEU A 81 11.641 25.636 -17.181 1.00 1.00 C ATOM 0 H LEU A 81 9.363 22.936 -17.467 1.00 1.00 H new ATOM 0 HA LEU A 81 8.733 25.702 -17.204 1.00 1.00 H new ATOM 0 HB2 LEU A 81 9.749 24.238 -19.656 1.00 1.00 H new ATOM 0 HB3 LEU A 81 10.011 25.918 -19.228 1.00 1.00 H new ATOM 0 HG LEU A 81 11.084 23.617 -17.572 1.00 1.00 H new ATOM 0 HD11 LEU A 81 13.231 24.018 -18.682 1.00 1.00 H new ATOM 0 HD12 LEU A 81 11.989 23.471 -19.834 1.00 1.00 H new ATOM 0 HD13 LEU A 81 12.450 25.189 -19.772 1.00 1.00 H new ATOM 0 HD21 LEU A 81 12.579 25.362 -16.699 1.00 1.00 H new ATOM 0 HD22 LEU A 81 11.774 26.568 -17.731 1.00 1.00 H new ATOM 0 HD23 LEU A 81 10.869 25.769 -16.423 1.00 1.00 H new ATOM 1208 N ALA A 82 6.699 23.896 -18.915 1.00 1.00 N ATOM 1209 CA ALA A 82 5.471 23.894 -19.694 1.00 1.00 C ATOM 1210 C ALA A 82 4.283 24.253 -18.820 1.00 1.00 C ATOM 1211 O ALA A 82 3.154 24.370 -19.303 1.00 1.00 O ATOM 1212 CB ALA A 82 5.253 22.533 -20.337 1.00 1.00 C ATOM 0 H ALA A 82 6.942 22.992 -18.510 1.00 1.00 H new ATOM 0 HA ALA A 82 5.564 24.644 -20.480 1.00 1.00 H new ATOM 0 HB1 ALA A 82 4.330 22.548 -20.916 1.00 1.00 H new ATOM 0 HB2 ALA A 82 6.091 22.303 -20.995 1.00 1.00 H new ATOM 0 HB3 ALA A 82 5.182 21.771 -19.561 1.00 1.00 H new ATOM 1218 N ALA A 83 4.530 24.345 -17.517 1.00 1.00 N ATOM 1219 CA ALA A 83 3.484 24.679 -16.565 1.00 1.00 C ATOM 1220 C ALA A 83 2.872 26.045 -16.866 1.00 1.00 C ATOM 1221 O ALA A 83 3.540 26.933 -17.397 1.00 1.00 O ATOM 1222 CB ALA A 83 4.028 24.645 -15.151 1.00 1.00 C ATOM 0 H ALA A 83 5.448 24.192 -17.099 1.00 1.00 H new ATOM 0 HA ALA A 83 2.696 23.932 -16.659 1.00 1.00 H new ATOM 0 HB1 ALA A 83 3.233 24.897 -14.449 1.00 1.00 H new ATOM 0 HB2 ALA A 83 4.404 23.646 -14.930 1.00 1.00 H new ATOM 0 HB3 ALA A 83 4.839 25.367 -15.056 1.00 1.00 H new ATOM 1228 N ASP A 84 1.598 26.211 -16.523 1.00 1.00 N ATOM 1229 CA ASP A 84 0.913 27.481 -16.739 1.00 1.00 C ATOM 1230 C ASP A 84 1.364 28.496 -15.702 1.00 1.00 C ATOM 1231 O ASP A 84 1.264 29.700 -15.915 1.00 1.00 O ATOM 1232 CB ASP A 84 -0.615 27.313 -16.681 1.00 1.00 C ATOM 1233 CG ASP A 84 -1.342 28.442 -17.388 1.00 1.00 C ATOM 1234 OD1 ASP A 84 -1.042 28.682 -18.582 1.00 1.00 O ATOM 1235 OD2 ASP A 84 -2.230 29.062 -16.770 1.00 1.00 O ATOM 0 H ASP A 84 1.021 25.486 -16.096 1.00 1.00 H new ATOM 0 HA ASP A 84 1.173 27.839 -17.735 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -0.892 26.363 -17.137 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -0.935 27.272 -15.640 1.00 1.00 H new ATOM 1240 N LEU A 85 2.005 28.001 -14.650 1.00 1.00 N ATOM 1241 CA LEU A 85 2.448 28.852 -13.564 1.00 1.00 C ATOM 1242 C LEU A 85 3.621 28.203 -12.870 1.00 1.00 C ATOM 1243 O LEU A 85 3.527 27.080 -12.379 1.00 1.00 O ATOM 1244 CB LEU A 85 1.319 29.051 -12.553 1.00 1.00 C ATOM 1245 CG LEU A 85 1.435 30.264 -11.621 1.00 1.00 C ATOM 1246 CD1 LEU A 85 0.443 30.127 -10.497 1.00 1.00 C ATOM 1247 CD2 LEU A 85 2.823 30.407 -11.041 1.00 1.00 C ATOM 0 H LEU A 85 2.228 27.013 -14.530 1.00 1.00 H new ATOM 0 HA LEU A 85 2.740 29.821 -13.970 1.00 1.00 H new ATOM 0 HB2 LEU A 85 0.381 29.132 -13.102 1.00 1.00 H new ATOM 0 HB3 LEU A 85 1.251 28.154 -11.937 1.00 1.00 H new ATOM 0 HG LEU A 85 1.227 31.155 -12.213 1.00 1.00 H new ATOM 0 HD11 LEU A 85 0.524 30.988 -9.833 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -0.566 30.078 -10.906 1.00 1.00 H new ATOM 0 HD13 LEU A 85 0.652 29.216 -9.936 1.00 1.00 H new ATOM 0 HD21 LEU A 85 2.856 31.279 -10.388 1.00 1.00 H new ATOM 0 HD22 LEU A 85 3.071 29.514 -10.467 1.00 1.00 H new ATOM 0 HD23 LEU A 85 3.544 30.531 -11.849 1.00 1.00 H new ATOM 1259 N LEU A 86 4.736 28.893 -12.880 1.00 1.00 N ATOM 1260 CA LEU A 86 5.901 28.408 -12.216 1.00 1.00 C ATOM 1261 C LEU A 86 6.183 29.256 -10.993 1.00 1.00 C ATOM 1262 O LEU A 86 6.694 30.366 -11.091 1.00 1.00 O ATOM 1263 CB LEU A 86 7.052 28.377 -13.197 1.00 1.00 C ATOM 1264 CG LEU A 86 6.836 27.417 -14.373 1.00 1.00 C ATOM 1265 CD1 LEU A 86 5.772 27.912 -15.335 1.00 1.00 C ATOM 1266 CD2 LEU A 86 8.129 27.210 -15.102 1.00 1.00 C ATOM 0 H LEU A 86 4.852 29.794 -13.345 1.00 1.00 H new ATOM 0 HA LEU A 86 5.750 27.389 -11.860 1.00 1.00 H new ATOM 0 HB2 LEU A 86 7.213 29.383 -13.586 1.00 1.00 H new ATOM 0 HB3 LEU A 86 7.961 28.090 -12.668 1.00 1.00 H new ATOM 0 HG LEU A 86 6.484 26.471 -13.962 1.00 1.00 H new ATOM 0 HD11 LEU A 86 5.657 27.197 -16.150 1.00 1.00 H new ATOM 0 HD12 LEU A 86 4.824 28.016 -14.807 1.00 1.00 H new ATOM 0 HD13 LEU A 86 6.070 28.879 -15.740 1.00 1.00 H new ATOM 0 HD21 LEU A 86 7.971 26.527 -15.937 1.00 1.00 H new ATOM 0 HD22 LEU A 86 8.491 28.166 -15.479 1.00 1.00 H new ATOM 0 HD23 LEU A 86 8.867 26.786 -14.421 1.00 1.00 H new ATOM 1278 N VAL A 87 5.872 28.691 -9.840 1.00 1.00 N ATOM 1279 CA VAL A 87 6.000 29.401 -8.581 1.00 1.00 C ATOM 1280 C VAL A 87 7.427 29.326 -8.051 1.00 1.00 C ATOM 1281 O VAL A 87 7.816 28.369 -7.391 1.00 1.00 O ATOM 1282 CB VAL A 87 5.023 28.854 -7.521 1.00 1.00 C ATOM 1283 CG1 VAL A 87 5.320 29.430 -6.151 1.00 1.00 C ATOM 1284 CG2 VAL A 87 3.594 29.165 -7.908 1.00 1.00 C ATOM 0 H VAL A 87 5.527 27.735 -9.750 1.00 1.00 H new ATOM 0 HA VAL A 87 5.750 30.444 -8.777 1.00 1.00 H new ATOM 0 HB VAL A 87 5.155 27.773 -7.476 1.00 1.00 H new ATOM 0 HG11 VAL A 87 4.614 29.025 -5.425 1.00 1.00 H new ATOM 0 HG12 VAL A 87 6.335 29.164 -5.857 1.00 1.00 H new ATOM 0 HG13 VAL A 87 5.224 30.515 -6.184 1.00 1.00 H new ATOM 0 HG21 VAL A 87 2.918 28.772 -7.149 1.00 1.00 H new ATOM 0 HG22 VAL A 87 3.465 30.245 -7.985 1.00 1.00 H new ATOM 0 HG23 VAL A 87 3.369 28.703 -8.869 1.00 1.00 H new ATOM 1294 N ALA A 88 8.217 30.310 -8.418 1.00 1.00 N ATOM 1295 CA ALA A 88 9.589 30.385 -7.965 1.00 1.00 C ATOM 1296 C ALA A 88 9.647 30.930 -6.542 1.00 1.00 C ATOM 1297 O ALA A 88 8.822 31.755 -6.144 1.00 1.00 O ATOM 1298 CB ALA A 88 10.422 31.229 -8.912 1.00 1.00 C ATOM 0 H ALA A 88 7.932 31.073 -9.032 1.00 1.00 H new ATOM 0 HA ALA A 88 10.011 29.380 -7.960 1.00 1.00 H new ATOM 0 HB1 ALA A 88 11.450 31.272 -8.552 1.00 1.00 H new ATOM 0 HB2 ALA A 88 10.404 30.785 -9.907 1.00 1.00 H new ATOM 0 HB3 ALA A 88 10.011 32.238 -8.958 1.00 1.00 H new ATOM 1304 N LEU A 89 10.603 30.439 -5.771 1.00 1.00 N ATOM 1305 CA LEU A 89 10.778 30.873 -4.395 1.00 1.00 C ATOM 1306 C LEU A 89 11.892 31.904 -4.303 1.00 1.00 C ATOM 1307 O LEU A 89 12.123 32.497 -3.257 1.00 1.00 O ATOM 1308 CB LEU A 89 11.079 29.667 -3.497 1.00 1.00 C ATOM 1309 CG LEU A 89 9.850 28.902 -2.983 1.00 1.00 C ATOM 1310 CD1 LEU A 89 8.889 29.850 -2.285 1.00 1.00 C ATOM 1311 CD2 LEU A 89 9.147 28.157 -4.109 1.00 1.00 C ATOM 0 H LEU A 89 11.274 29.735 -6.078 1.00 1.00 H new ATOM 0 HA LEU A 89 9.854 31.338 -4.051 1.00 1.00 H new ATOM 0 HB2 LEU A 89 11.712 28.973 -4.050 1.00 1.00 H new ATOM 0 HB3 LEU A 89 11.657 30.010 -2.639 1.00 1.00 H new ATOM 0 HG LEU A 89 10.195 28.161 -2.262 1.00 1.00 H new ATOM 0 HD11 LEU A 89 8.024 29.292 -1.927 1.00 1.00 H new ATOM 0 HD12 LEU A 89 9.392 30.321 -1.441 1.00 1.00 H new ATOM 0 HD13 LEU A 89 8.561 30.617 -2.986 1.00 1.00 H new ATOM 0 HD21 LEU A 89 8.282 27.627 -3.710 1.00 1.00 H new ATOM 0 HD22 LEU A 89 8.819 28.869 -4.867 1.00 1.00 H new ATOM 0 HD23 LEU A 89 9.836 27.441 -4.558 1.00 1.00 H new ATOM 1323 N ASP A 90 12.591 32.091 -5.408 1.00 1.00 N ATOM 1324 CA ASP A 90 13.673 33.059 -5.468 1.00 1.00 C ATOM 1325 C ASP A 90 13.847 33.592 -6.887 1.00 1.00 C ATOM 1326 O ASP A 90 13.519 32.907 -7.865 1.00 1.00 O ATOM 1327 CB ASP A 90 14.962 32.422 -4.940 1.00 1.00 C ATOM 1328 CG ASP A 90 16.120 32.521 -5.905 1.00 1.00 C ATOM 1329 OD1 ASP A 90 16.267 31.612 -6.748 1.00 1.00 O ATOM 1330 OD2 ASP A 90 16.878 33.498 -5.834 1.00 1.00 O ATOM 0 H ASP A 90 12.429 31.584 -6.278 1.00 1.00 H new ATOM 0 HA ASP A 90 13.428 33.912 -4.835 1.00 1.00 H new ATOM 0 HB2 ASP A 90 15.238 32.903 -4.002 1.00 1.00 H new ATOM 0 HB3 ASP A 90 14.774 31.372 -4.716 1.00 1.00 H new ATOM 1335 N ARG A 91 14.355 34.817 -6.980 1.00 1.00 N ATOM 1336 CA ARG A 91 14.544 35.513 -8.255 1.00 1.00 C ATOM 1337 C ARG A 91 15.446 34.749 -9.233 1.00 1.00 C ATOM 1338 O ARG A 91 15.317 34.906 -10.448 1.00 1.00 O ATOM 1339 CB ARG A 91 15.107 36.910 -7.987 1.00 1.00 C ATOM 1340 CG ARG A 91 16.325 36.910 -7.075 1.00 1.00 C ATOM 1341 CD ARG A 91 16.724 38.317 -6.659 1.00 1.00 C ATOM 1342 NE ARG A 91 16.919 39.200 -7.810 1.00 1.00 N ATOM 1343 CZ ARG A 91 16.539 40.479 -7.843 1.00 1.00 C ATOM 1344 NH1 ARG A 91 15.958 41.032 -6.786 1.00 1.00 N ATOM 1345 NH2 ARG A 91 16.752 41.201 -8.934 1.00 1.00 N ATOM 0 H ARG A 91 14.650 35.361 -6.169 1.00 1.00 H new ATOM 0 HA ARG A 91 13.569 35.584 -8.736 1.00 1.00 H new ATOM 0 HB2 ARG A 91 15.374 37.373 -8.937 1.00 1.00 H new ATOM 0 HB3 ARG A 91 14.328 37.527 -7.539 1.00 1.00 H new ATOM 0 HG2 ARG A 91 16.113 36.316 -6.186 1.00 1.00 H new ATOM 0 HG3 ARG A 91 17.161 36.432 -7.586 1.00 1.00 H new ATOM 0 HD2 ARG A 91 15.954 38.734 -6.010 1.00 1.00 H new ATOM 0 HD3 ARG A 91 17.644 38.274 -6.076 1.00 1.00 H new ATOM 0 HE ARG A 91 17.373 38.814 -8.638 1.00 1.00 H new ATOM 0 HH11 ARG A 91 15.800 40.479 -5.943 1.00 1.00 H new ATOM 0 HH12 ARG A 91 15.669 42.010 -6.816 1.00 1.00 H new ATOM 0 HH21 ARG A 91 17.205 40.779 -9.745 1.00 1.00 H new ATOM 0 HH22 ARG A 91 16.463 42.179 -8.963 1.00 1.00 H new ATOM 1359 N ASN A 92 16.308 33.884 -8.718 1.00 1.00 N ATOM 1360 CA ASN A 92 17.196 33.117 -9.579 1.00 1.00 C ATOM 1361 C ASN A 92 16.430 31.980 -10.231 1.00 1.00 C ATOM 1362 O ASN A 92 16.511 31.784 -11.442 1.00 1.00 O ATOM 1363 CB ASN A 92 18.385 32.563 -8.792 1.00 1.00 C ATOM 1364 CG ASN A 92 19.489 33.583 -8.591 1.00 1.00 C ATOM 1365 OD1 ASN A 92 19.522 34.307 -7.598 1.00 1.00 O ATOM 1366 ND2 ASN A 92 20.406 33.639 -9.538 1.00 1.00 N ATOM 0 H ASN A 92 16.411 33.697 -7.721 1.00 1.00 H new ATOM 0 HA ASN A 92 17.581 33.783 -10.351 1.00 1.00 H new ATOM 0 HB2 ASN A 92 18.039 32.214 -7.819 1.00 1.00 H new ATOM 0 HB3 ASN A 92 18.789 31.697 -9.316 1.00 1.00 H new ATOM 0 HD21 ASN A 92 21.178 34.301 -9.461 1.00 1.00 H new ATOM 0 HD22 ASN A 92 20.342 33.021 -10.347 1.00 1.00 H new ATOM 1373 N HIS A 93 15.672 31.238 -9.421 1.00 1.00 N ATOM 1374 CA HIS A 93 14.866 30.131 -9.930 1.00 1.00 C ATOM 1375 C HIS A 93 13.918 30.631 -11.017 1.00 1.00 C ATOM 1376 O HIS A 93 13.789 30.006 -12.068 1.00 1.00 O ATOM 1377 CB HIS A 93 14.052 29.453 -8.813 1.00 1.00 C ATOM 1378 CG HIS A 93 14.837 29.130 -7.577 1.00 1.00 C ATOM 1379 ND1 HIS A 93 14.316 29.262 -6.312 1.00 1.00 N ATOM 1380 CD2 HIS A 93 16.107 28.689 -7.411 1.00 1.00 C ATOM 1381 CE1 HIS A 93 15.228 28.928 -5.423 1.00 1.00 C ATOM 1382 NE2 HIS A 93 16.331 28.576 -6.058 1.00 1.00 N ATOM 0 H HIS A 93 15.601 31.384 -8.414 1.00 1.00 H new ATOM 0 HA HIS A 93 15.551 29.392 -10.345 1.00 1.00 H new ATOM 0 HB2 HIS A 93 13.221 30.104 -8.540 1.00 1.00 H new ATOM 0 HB3 HIS A 93 13.620 28.532 -9.204 1.00 1.00 H new ATOM 0 HD1 HIS A 93 13.368 29.571 -6.095 1.00 1.00 H new ATOM 0 HD2 HIS A 93 16.814 28.467 -8.197 1.00 1.00 H new ATOM 0 HE1 HIS A 93 15.096 28.940 -4.351 1.00 1.00 H new ATOM 1391 N ALA A 94 13.279 31.775 -10.765 1.00 1.00 N ATOM 1392 CA ALA A 94 12.367 32.377 -11.735 1.00 1.00 C ATOM 1393 C ALA A 94 13.090 32.690 -13.043 1.00 1.00 C ATOM 1394 O ALA A 94 12.583 32.404 -14.131 1.00 1.00 O ATOM 1395 CB ALA A 94 11.716 33.638 -11.168 1.00 1.00 C ATOM 0 H ALA A 94 13.377 32.302 -9.897 1.00 1.00 H new ATOM 0 HA ALA A 94 11.580 31.653 -11.944 1.00 1.00 H new ATOM 0 HB1 ALA A 94 11.042 34.065 -11.911 1.00 1.00 H new ATOM 0 HB2 ALA A 94 11.152 33.384 -10.270 1.00 1.00 H new ATOM 0 HB3 ALA A 94 12.488 34.365 -10.918 1.00 1.00 H new ATOM 1401 N ARG A 95 14.280 33.275 -12.929 1.00 1.00 N ATOM 1402 CA ARG A 95 15.092 33.603 -14.095 1.00 1.00 C ATOM 1403 C ARG A 95 15.418 32.356 -14.906 1.00 1.00 C ATOM 1404 O ARG A 95 15.371 32.383 -16.137 1.00 1.00 O ATOM 1405 CB ARG A 95 16.396 34.296 -13.668 1.00 1.00 C ATOM 1406 CG ARG A 95 17.581 33.964 -14.570 1.00 1.00 C ATOM 1407 CD ARG A 95 18.830 34.746 -14.209 1.00 1.00 C ATOM 1408 NE ARG A 95 19.994 34.275 -14.962 1.00 1.00 N ATOM 1409 CZ ARG A 95 21.186 34.028 -14.421 1.00 1.00 C ATOM 1410 NH1 ARG A 95 21.415 34.306 -13.142 1.00 1.00 N ATOM 1411 NH2 ARG A 95 22.160 33.529 -15.173 1.00 1.00 N ATOM 0 H ARG A 95 14.703 33.532 -12.037 1.00 1.00 H new ATOM 0 HA ARG A 95 14.512 34.283 -14.720 1.00 1.00 H new ATOM 0 HB2 ARG A 95 16.242 35.375 -13.666 1.00 1.00 H new ATOM 0 HB3 ARG A 95 16.635 34.006 -12.645 1.00 1.00 H new ATOM 0 HG2 ARG A 95 17.794 32.897 -14.505 1.00 1.00 H new ATOM 0 HG3 ARG A 95 17.313 34.173 -15.606 1.00 1.00 H new ATOM 0 HD2 ARG A 95 18.669 35.805 -14.411 1.00 1.00 H new ATOM 0 HD3 ARG A 95 19.024 34.651 -13.141 1.00 1.00 H new ATOM 0 HE ARG A 95 19.885 34.126 -15.965 1.00 1.00 H new ATOM 0 HH11 ARG A 95 20.676 34.711 -12.568 1.00 1.00 H new ATOM 0 HH12 ARG A 95 22.330 34.114 -12.734 1.00 1.00 H new ATOM 0 HH21 ARG A 95 21.994 33.336 -16.161 1.00 1.00 H new ATOM 0 HH22 ARG A 95 23.074 33.338 -14.763 1.00 1.00 H new ATOM 1425 N LEU A 96 15.708 31.263 -14.211 1.00 1.00 N ATOM 1426 CA LEU A 96 16.104 30.029 -14.870 1.00 1.00 C ATOM 1427 C LEU A 96 14.950 29.471 -15.679 1.00 1.00 C ATOM 1428 O LEU A 96 15.090 29.222 -16.863 1.00 1.00 O ATOM 1429 CB LEU A 96 16.581 28.992 -13.846 1.00 1.00 C ATOM 1430 CG LEU A 96 17.672 29.481 -12.894 1.00 1.00 C ATOM 1431 CD1 LEU A 96 18.134 28.355 -11.984 1.00 1.00 C ATOM 1432 CD2 LEU A 96 18.850 30.051 -13.672 1.00 1.00 C ATOM 0 H LEU A 96 15.676 31.208 -13.193 1.00 1.00 H new ATOM 0 HA LEU A 96 16.932 30.253 -15.543 1.00 1.00 H new ATOM 0 HB2 LEU A 96 15.725 28.665 -13.256 1.00 1.00 H new ATOM 0 HB3 LEU A 96 16.952 28.118 -14.382 1.00 1.00 H new ATOM 0 HG LEU A 96 17.252 30.274 -12.276 1.00 1.00 H new ATOM 0 HD11 LEU A 96 18.911 28.724 -11.314 1.00 1.00 H new ATOM 0 HD12 LEU A 96 17.290 27.993 -11.397 1.00 1.00 H new ATOM 0 HD13 LEU A 96 18.533 27.540 -12.588 1.00 1.00 H new ATOM 0 HD21 LEU A 96 19.615 30.393 -12.975 1.00 1.00 H new ATOM 0 HD22 LEU A 96 19.267 29.279 -14.318 1.00 1.00 H new ATOM 0 HD23 LEU A 96 18.512 30.890 -14.281 1.00 1.00 H new ATOM 1444 N LEU A 97 13.791 29.390 -15.056 1.00 1.00 N ATOM 1445 CA LEU A 97 12.592 28.852 -15.703 1.00 1.00 C ATOM 1446 C LEU A 97 12.316 29.551 -17.034 1.00 1.00 C ATOM 1447 O LEU A 97 12.213 28.910 -18.081 1.00 1.00 O ATOM 1448 CB LEU A 97 11.387 29.044 -14.783 1.00 1.00 C ATOM 1449 CG LEU A 97 11.535 28.451 -13.387 1.00 1.00 C ATOM 1450 CD1 LEU A 97 10.430 28.951 -12.476 1.00 1.00 C ATOM 1451 CD2 LEU A 97 11.517 26.942 -13.463 1.00 1.00 C ATOM 0 H LEU A 97 13.645 29.691 -14.092 1.00 1.00 H new ATOM 0 HA LEU A 97 12.760 27.792 -15.896 1.00 1.00 H new ATOM 0 HB2 LEU A 97 11.189 30.112 -14.688 1.00 1.00 H new ATOM 0 HB3 LEU A 97 10.513 28.599 -15.258 1.00 1.00 H new ATOM 0 HG LEU A 97 12.490 28.770 -12.970 1.00 1.00 H new ATOM 0 HD11 LEU A 97 10.552 28.517 -11.484 1.00 1.00 H new ATOM 0 HD12 LEU A 97 10.480 30.038 -12.405 1.00 1.00 H new ATOM 0 HD13 LEU A 97 9.462 28.658 -12.883 1.00 1.00 H new ATOM 0 HD21 LEU A 97 11.623 26.526 -12.461 1.00 1.00 H new ATOM 0 HD22 LEU A 97 10.573 26.611 -13.895 1.00 1.00 H new ATOM 0 HD23 LEU A 97 12.342 26.599 -14.088 1.00 1.00 H new ATOM 1463 N ARG A 98 12.148 30.863 -16.972 1.00 1.00 N ATOM 1464 CA ARG A 98 11.868 31.665 -18.161 1.00 1.00 C ATOM 1465 C ARG A 98 12.964 31.522 -19.212 1.00 1.00 C ATOM 1466 O ARG A 98 12.666 31.320 -20.388 1.00 1.00 O ATOM 1467 CB ARG A 98 11.657 33.142 -17.794 1.00 1.00 C ATOM 1468 CG ARG A 98 12.875 33.799 -17.173 1.00 1.00 C ATOM 1469 CD ARG A 98 12.550 35.168 -16.613 1.00 1.00 C ATOM 1470 NE ARG A 98 13.552 36.158 -17.017 1.00 1.00 N ATOM 1471 CZ ARG A 98 13.306 37.461 -17.179 1.00 1.00 C ATOM 1472 NH1 ARG A 98 12.132 37.979 -16.844 1.00 1.00 N ATOM 1473 NH2 ARG A 98 14.256 38.251 -17.656 1.00 1.00 N ATOM 0 H ARG A 98 12.200 31.401 -16.107 1.00 1.00 H new ATOM 0 HA ARG A 98 10.944 31.284 -18.596 1.00 1.00 H new ATOM 0 HB2 ARG A 98 11.377 33.693 -18.692 1.00 1.00 H new ATOM 0 HB3 ARG A 98 10.821 33.218 -17.099 1.00 1.00 H new ATOM 0 HG2 ARG A 98 13.265 33.164 -16.378 1.00 1.00 H new ATOM 0 HG3 ARG A 98 13.661 33.890 -17.923 1.00 1.00 H new ATOM 0 HD2 ARG A 98 11.565 35.481 -16.960 1.00 1.00 H new ATOM 0 HD3 ARG A 98 12.503 35.117 -15.525 1.00 1.00 H new ATOM 0 HE ARG A 98 14.503 35.830 -17.186 1.00 1.00 H new ATOM 0 HH11 ARG A 98 11.402 37.381 -16.457 1.00 1.00 H new ATOM 0 HH12 ARG A 98 11.959 38.976 -16.973 1.00 1.00 H new ATOM 0 HH21 ARG A 98 15.168 37.864 -17.897 1.00 1.00 H new ATOM 0 HH22 ARG A 98 14.075 39.247 -17.782 1.00 1.00 H new ATOM 1487 N GLN A 99 14.227 31.578 -18.792 1.00 1.00 N ATOM 1488 CA GLN A 99 15.333 31.455 -19.736 1.00 1.00 C ATOM 1489 C GLN A 99 15.375 30.039 -20.308 1.00 1.00 C ATOM 1490 O GLN A 99 15.809 29.824 -21.441 1.00 1.00 O ATOM 1491 CB GLN A 99 16.673 31.847 -19.080 1.00 1.00 C ATOM 1492 CG GLN A 99 17.256 30.818 -18.120 1.00 1.00 C ATOM 1493 CD GLN A 99 18.385 30.002 -18.724 1.00 1.00 C ATOM 1494 OE1 GLN A 99 18.453 29.801 -19.938 1.00 1.00 O ATOM 1495 NE2 GLN A 99 19.278 29.519 -17.876 1.00 1.00 N ATOM 0 H GLN A 99 14.506 31.706 -17.819 1.00 1.00 H new ATOM 0 HA GLN A 99 15.170 32.150 -20.560 1.00 1.00 H new ATOM 0 HB2 GLN A 99 17.402 32.038 -19.868 1.00 1.00 H new ATOM 0 HB3 GLN A 99 16.534 32.784 -18.541 1.00 1.00 H new ATOM 0 HG2 GLN A 99 17.623 31.329 -17.230 1.00 1.00 H new ATOM 0 HG3 GLN A 99 16.463 30.144 -17.796 1.00 1.00 H new ATOM 0 HE21 GLN A 99 19.187 29.707 -16.878 1.00 1.00 H new ATOM 0 HE22 GLN A 99 20.057 28.958 -18.220 1.00 1.00 H new ATOM 1504 N LEU A 100 14.837 29.093 -19.544 1.00 1.00 N ATOM 1505 CA LEU A 100 14.800 27.693 -19.941 1.00 1.00 C ATOM 1506 C LEU A 100 13.668 27.418 -20.926 1.00 1.00 C ATOM 1507 O LEU A 100 13.620 26.355 -21.540 1.00 1.00 O ATOM 1508 CB LEU A 100 14.652 26.803 -18.700 1.00 1.00 C ATOM 1509 CG LEU A 100 15.896 26.709 -17.806 1.00 1.00 C ATOM 1510 CD1 LEU A 100 15.793 25.526 -16.858 1.00 1.00 C ATOM 1511 CD2 LEU A 100 17.168 26.642 -18.642 1.00 1.00 C ATOM 0 H LEU A 100 14.415 29.277 -18.634 1.00 1.00 H new ATOM 0 HA LEU A 100 15.739 27.460 -20.444 1.00 1.00 H new ATOM 0 HB2 LEU A 100 13.822 27.179 -18.101 1.00 1.00 H new ATOM 0 HB3 LEU A 100 14.382 25.798 -19.024 1.00 1.00 H new ATOM 0 HG LEU A 100 15.948 27.615 -17.202 1.00 1.00 H new ATOM 0 HD11 LEU A 100 16.686 25.480 -16.235 1.00 1.00 H new ATOM 0 HD12 LEU A 100 14.914 25.643 -16.224 1.00 1.00 H new ATOM 0 HD13 LEU A 100 15.705 24.605 -17.434 1.00 1.00 H new ATOM 0 HD21 LEU A 100 18.034 26.576 -17.983 1.00 1.00 H new ATOM 0 HD22 LEU A 100 17.134 25.763 -19.286 1.00 1.00 H new ATOM 0 HD23 LEU A 100 17.247 27.539 -19.256 1.00 1.00 H new ATOM 1523 N GLY A 101 12.754 28.370 -21.075 1.00 1.00 N ATOM 1524 CA GLY A 101 11.654 28.176 -21.998 1.00 1.00 C ATOM 1525 C GLY A 101 10.356 28.815 -21.550 1.00 1.00 C ATOM 1526 O GLY A 101 9.488 29.097 -22.377 1.00 1.00 O ATOM 0 H GLY A 101 12.755 29.262 -20.580 1.00 1.00 H new ATOM 0 HA2 GLY A 101 11.932 28.584 -22.970 1.00 1.00 H new ATOM 0 HA3 GLY A 101 11.493 27.107 -22.136 1.00 1.00 H new ATOM 1530 N VAL A 102 10.211 29.061 -20.252 1.00 1.00 N ATOM 1531 CA VAL A 102 8.983 29.649 -19.742 1.00 1.00 C ATOM 1532 C VAL A 102 8.934 31.160 -20.062 1.00 1.00 C ATOM 1533 O VAL A 102 9.720 31.656 -20.868 1.00 1.00 O ATOM 1534 CB VAL A 102 8.790 29.312 -18.219 1.00 1.00 C ATOM 1535 CG1 VAL A 102 9.034 30.452 -17.257 1.00 1.00 C ATOM 1536 CG2 VAL A 102 7.419 28.710 -18.020 1.00 1.00 C ATOM 0 H VAL A 102 10.919 28.865 -19.545 1.00 1.00 H new ATOM 0 HA VAL A 102 8.128 29.204 -20.251 1.00 1.00 H new ATOM 0 HB VAL A 102 9.573 28.596 -17.967 1.00 1.00 H new ATOM 0 HG11 VAL A 102 8.872 30.107 -16.236 1.00 1.00 H new ATOM 0 HG12 VAL A 102 10.060 30.804 -17.363 1.00 1.00 H new ATOM 0 HG13 VAL A 102 8.346 31.268 -17.478 1.00 1.00 H new ATOM 0 HG21 VAL A 102 7.275 28.473 -16.966 1.00 1.00 H new ATOM 0 HG22 VAL A 102 6.659 29.423 -18.338 1.00 1.00 H new ATOM 0 HG23 VAL A 102 7.332 27.799 -18.612 1.00 1.00 H new ATOM 1546 N GLU A 103 8.071 31.892 -19.386 1.00 1.00 N ATOM 1547 CA GLU A 103 7.914 33.320 -19.598 1.00 1.00 C ATOM 1548 C GLU A 103 7.343 33.912 -18.332 1.00 1.00 C ATOM 1549 O GLU A 103 6.835 33.178 -17.487 1.00 1.00 O ATOM 1550 CB GLU A 103 6.958 33.597 -20.768 1.00 1.00 C ATOM 1551 CG GLU A 103 5.562 33.046 -20.541 1.00 1.00 C ATOM 1552 CD GLU A 103 4.677 33.139 -21.764 1.00 1.00 C ATOM 1553 OE1 GLU A 103 4.026 34.186 -21.948 1.00 1.00 O ATOM 1554 OE2 GLU A 103 4.624 32.161 -22.539 1.00 1.00 O ATOM 0 H GLU A 103 7.454 31.511 -18.669 1.00 1.00 H new ATOM 0 HA GLU A 103 8.880 33.765 -19.839 1.00 1.00 H new ATOM 0 HB2 GLU A 103 6.895 34.673 -20.931 1.00 1.00 H new ATOM 0 HB3 GLU A 103 7.371 33.161 -21.678 1.00 1.00 H new ATOM 0 HG2 GLU A 103 5.636 32.003 -20.233 1.00 1.00 H new ATOM 0 HG3 GLU A 103 5.094 33.589 -19.720 1.00 1.00 H new ATOM 1561 N ALA A 104 7.442 35.221 -18.187 1.00 1.00 N ATOM 1562 CA ALA A 104 7.009 35.877 -16.964 1.00 1.00 C ATOM 1563 C ALA A 104 5.516 35.701 -16.737 1.00 1.00 C ATOM 1564 O ALA A 104 5.037 35.829 -15.611 1.00 1.00 O ATOM 1565 CB ALA A 104 7.388 37.347 -16.988 1.00 1.00 C ATOM 0 H ALA A 104 7.817 35.850 -18.897 1.00 1.00 H new ATOM 0 HA ALA A 104 7.523 35.403 -16.128 1.00 1.00 H new ATOM 0 HB1 ALA A 104 7.057 37.823 -16.065 1.00 1.00 H new ATOM 0 HB2 ALA A 104 8.470 37.442 -17.077 1.00 1.00 H new ATOM 0 HB3 ALA A 104 6.910 37.832 -17.839 1.00 1.00 H new ATOM 1571 N ALA A 105 4.776 35.483 -17.815 1.00 1.00 N ATOM 1572 CA ALA A 105 3.353 35.204 -17.703 1.00 1.00 C ATOM 1573 C ALA A 105 3.129 33.970 -16.835 1.00 1.00 C ATOM 1574 O ALA A 105 2.195 33.914 -16.036 1.00 1.00 O ATOM 1575 CB ALA A 105 2.738 35.002 -19.076 1.00 1.00 C ATOM 0 H ALA A 105 5.135 35.494 -18.770 1.00 1.00 H new ATOM 0 HA ALA A 105 2.867 36.059 -17.233 1.00 1.00 H new ATOM 0 HB1 ALA A 105 1.673 34.794 -18.971 1.00 1.00 H new ATOM 0 HB2 ALA A 105 2.875 35.904 -19.672 1.00 1.00 H new ATOM 0 HB3 ALA A 105 3.224 34.162 -19.572 1.00 1.00 H new ATOM 1581 N ARG A 106 4.031 33.004 -16.975 1.00 1.00 N ATOM 1582 CA ARG A 106 3.919 31.734 -16.271 1.00 1.00 C ATOM 1583 C ARG A 106 4.758 31.720 -15.008 1.00 1.00 C ATOM 1584 O ARG A 106 4.305 31.269 -13.965 1.00 1.00 O ATOM 1585 CB ARG A 106 4.375 30.588 -17.167 1.00 1.00 C ATOM 1586 CG ARG A 106 4.041 30.806 -18.630 1.00 1.00 C ATOM 1587 CD ARG A 106 4.219 29.537 -19.442 1.00 1.00 C ATOM 1588 NE ARG A 106 3.339 29.522 -20.611 1.00 1.00 N ATOM 1589 CZ ARG A 106 2.026 29.296 -20.549 1.00 1.00 C ATOM 1590 NH1 ARG A 106 1.438 29.100 -19.378 1.00 1.00 N ATOM 1591 NH2 ARG A 106 1.301 29.287 -21.660 1.00 1.00 N ATOM 0 H ARG A 106 4.853 33.079 -17.574 1.00 1.00 H new ATOM 0 HA ARG A 106 2.870 31.609 -16.002 1.00 1.00 H new ATOM 0 HB2 ARG A 106 5.452 30.459 -17.062 1.00 1.00 H new ATOM 0 HB3 ARG A 106 3.909 29.663 -16.828 1.00 1.00 H new ATOM 0 HG2 ARG A 106 3.012 31.154 -18.720 1.00 1.00 H new ATOM 0 HG3 ARG A 106 4.680 31.590 -19.036 1.00 1.00 H new ATOM 0 HD2 ARG A 106 5.257 29.453 -19.765 1.00 1.00 H new ATOM 0 HD3 ARG A 106 4.009 28.670 -18.816 1.00 1.00 H new ATOM 0 HE ARG A 106 3.754 29.694 -21.527 1.00 1.00 H new ATOM 0 HH11 ARG A 106 1.990 29.122 -18.520 1.00 1.00 H new ATOM 0 HH12 ARG A 106 0.434 28.927 -19.334 1.00 1.00 H new ATOM 0 HH21 ARG A 106 1.748 29.453 -22.562 1.00 1.00 H new ATOM 0 HH22 ARG A 106 0.297 29.114 -21.612 1.00 1.00 H new ATOM 1605 N VAL A 107 5.970 32.244 -15.087 1.00 1.00 N ATOM 1606 CA VAL A 107 6.869 32.191 -13.955 1.00 1.00 C ATOM 1607 C VAL A 107 6.463 33.258 -12.934 1.00 1.00 C ATOM 1608 O VAL A 107 6.379 34.443 -13.258 1.00 1.00 O ATOM 1609 CB VAL A 107 8.338 32.403 -14.384 1.00 1.00 C ATOM 1610 CG1 VAL A 107 8.561 33.799 -14.910 1.00 1.00 C ATOM 1611 CG2 VAL A 107 9.275 32.095 -13.232 1.00 1.00 C ATOM 0 H VAL A 107 6.348 32.705 -15.915 1.00 1.00 H new ATOM 0 HA VAL A 107 6.796 31.200 -13.507 1.00 1.00 H new ATOM 0 HB VAL A 107 8.557 31.712 -15.198 1.00 1.00 H new ATOM 0 HG11 VAL A 107 9.604 33.915 -15.203 1.00 1.00 H new ATOM 0 HG12 VAL A 107 7.920 33.969 -15.775 1.00 1.00 H new ATOM 0 HG13 VAL A 107 8.320 34.524 -14.132 1.00 1.00 H new ATOM 0 HG21 VAL A 107 10.306 32.249 -13.550 1.00 1.00 H new ATOM 0 HG22 VAL A 107 9.051 32.756 -12.394 1.00 1.00 H new ATOM 0 HG23 VAL A 107 9.142 31.058 -12.922 1.00 1.00 H new ATOM 1621 N ARG A 108 6.105 32.842 -11.735 1.00 1.00 N ATOM 1622 CA ARG A 108 5.670 33.788 -10.724 1.00 1.00 C ATOM 1623 C ARG A 108 6.246 33.429 -9.369 1.00 1.00 C ATOM 1624 O ARG A 108 6.448 32.266 -9.056 1.00 1.00 O ATOM 1625 CB ARG A 108 4.142 33.823 -10.622 1.00 1.00 C ATOM 1626 CG ARG A 108 3.419 33.964 -11.956 1.00 1.00 C ATOM 1627 CD ARG A 108 3.548 35.369 -12.523 1.00 1.00 C ATOM 1628 NE ARG A 108 2.749 36.339 -11.775 1.00 1.00 N ATOM 1629 CZ ARG A 108 2.465 37.566 -12.207 1.00 1.00 C ATOM 1630 NH1 ARG A 108 2.965 38.006 -13.360 1.00 1.00 N ATOM 1631 NH2 ARG A 108 1.701 38.357 -11.471 1.00 1.00 N ATOM 0 H ARG A 108 6.106 31.866 -11.438 1.00 1.00 H new ATOM 0 HA ARG A 108 6.031 34.772 -11.024 1.00 1.00 H new ATOM 0 HB2 ARG A 108 3.803 32.909 -10.135 1.00 1.00 H new ATOM 0 HB3 ARG A 108 3.853 34.653 -9.978 1.00 1.00 H new ATOM 0 HG2 ARG A 108 3.826 33.246 -12.668 1.00 1.00 H new ATOM 0 HG3 ARG A 108 2.365 33.720 -11.825 1.00 1.00 H new ATOM 0 HD2 ARG A 108 4.595 35.672 -12.506 1.00 1.00 H new ATOM 0 HD3 ARG A 108 3.234 35.369 -13.567 1.00 1.00 H new ATOM 0 HE ARG A 108 2.386 36.058 -10.864 1.00 1.00 H new ATOM 0 HH11 ARG A 108 3.569 37.402 -13.917 1.00 1.00 H new ATOM 0 HH12 ARG A 108 2.744 38.947 -13.686 1.00 1.00 H new ATOM 0 HH21 ARG A 108 1.334 38.026 -10.579 1.00 1.00 H new ATOM 0 HH22 ARG A 108 1.479 39.298 -11.796 1.00 1.00 H new ATOM 1645 N MET A 109 6.510 34.446 -8.578 1.00 1.00 N ATOM 1646 CA MET A 109 7.056 34.262 -7.243 1.00 1.00 C ATOM 1647 C MET A 109 5.959 33.875 -6.264 1.00 1.00 C ATOM 1648 O MET A 109 4.890 34.481 -6.271 1.00 1.00 O ATOM 1649 CB MET A 109 7.733 35.544 -6.782 1.00 1.00 C ATOM 1650 CG MET A 109 8.916 35.944 -7.641 1.00 1.00 C ATOM 1651 SD MET A 109 10.307 34.827 -7.434 1.00 1.00 S ATOM 1652 CE MET A 109 10.510 34.948 -5.665 1.00 1.00 C ATOM 0 H MET A 109 6.355 35.420 -8.836 1.00 1.00 H new ATOM 0 HA MET A 109 7.790 33.457 -7.275 1.00 1.00 H new ATOM 0 HB2 MET A 109 7.002 36.353 -6.784 1.00 1.00 H new ATOM 0 HB3 MET A 109 8.067 35.419 -5.752 1.00 1.00 H new ATOM 0 HG2 MET A 109 8.615 35.958 -8.689 1.00 1.00 H new ATOM 0 HG3 MET A 109 9.224 36.958 -7.384 1.00 1.00 H new ATOM 0 HE1 MET A 109 11.571 34.919 -5.418 1.00 1.00 H new ATOM 0 HE2 MET A 109 10.080 35.886 -5.313 1.00 1.00 H new ATOM 0 HE3 MET A 109 10.002 34.113 -5.183 1.00 1.00 H new ATOM 1662 N LEU A 110 6.245 32.912 -5.389 1.00 1.00 N ATOM 1663 CA LEU A 110 5.273 32.452 -4.394 1.00 1.00 C ATOM 1664 C LEU A 110 4.799 33.602 -3.513 1.00 1.00 C ATOM 1665 O LEU A 110 3.603 33.853 -3.402 1.00 1.00 O ATOM 1666 CB LEU A 110 5.899 31.331 -3.536 1.00 1.00 C ATOM 1667 CG LEU A 110 4.964 30.607 -2.542 1.00 1.00 C ATOM 1668 CD1 LEU A 110 4.834 31.388 -1.239 1.00 1.00 C ATOM 1669 CD2 LEU A 110 3.588 30.369 -3.158 1.00 1.00 C ATOM 0 H LEU A 110 7.145 32.433 -5.348 1.00 1.00 H new ATOM 0 HA LEU A 110 4.401 32.058 -4.917 1.00 1.00 H new ATOM 0 HB2 LEU A 110 6.322 30.585 -4.209 1.00 1.00 H new ATOM 0 HB3 LEU A 110 6.728 31.758 -2.972 1.00 1.00 H new ATOM 0 HG LEU A 110 5.412 29.639 -2.316 1.00 1.00 H new ATOM 0 HD11 LEU A 110 4.170 30.854 -0.559 1.00 1.00 H new ATOM 0 HD12 LEU A 110 5.816 31.493 -0.778 1.00 1.00 H new ATOM 0 HD13 LEU A 110 4.423 32.376 -1.446 1.00 1.00 H new ATOM 0 HD21 LEU A 110 2.950 29.858 -2.437 1.00 1.00 H new ATOM 0 HD22 LEU A 110 3.139 31.325 -3.426 1.00 1.00 H new ATOM 0 HD23 LEU A 110 3.691 29.753 -4.052 1.00 1.00 H new ATOM 1681 N ARG A 111 5.736 34.363 -2.971 1.00 1.00 N ATOM 1682 CA ARG A 111 5.385 35.459 -2.078 1.00 1.00 C ATOM 1683 C ARG A 111 4.719 36.594 -2.850 1.00 1.00 C ATOM 1684 O ARG A 111 4.032 37.427 -2.270 1.00 1.00 O ATOM 1685 CB ARG A 111 6.629 35.989 -1.362 1.00 1.00 C ATOM 1686 CG ARG A 111 6.316 37.067 -0.334 1.00 1.00 C ATOM 1687 CD ARG A 111 7.515 37.953 -0.063 1.00 1.00 C ATOM 1688 NE ARG A 111 7.174 39.056 0.834 1.00 1.00 N ATOM 1689 CZ ARG A 111 7.987 40.076 1.109 1.00 1.00 C ATOM 1690 NH1 ARG A 111 9.185 40.137 0.542 1.00 1.00 N ATOM 1691 NH2 ARG A 111 7.601 41.037 1.943 1.00 1.00 N ATOM 0 H ARG A 111 6.737 34.245 -3.131 1.00 1.00 H new ATOM 0 HA ARG A 111 4.683 35.075 -1.338 1.00 1.00 H new ATOM 0 HB2 ARG A 111 7.136 35.161 -0.867 1.00 1.00 H new ATOM 0 HB3 ARG A 111 7.322 36.391 -2.101 1.00 1.00 H new ATOM 0 HG2 ARG A 111 5.486 37.678 -0.689 1.00 1.00 H new ATOM 0 HG3 ARG A 111 5.992 36.599 0.596 1.00 1.00 H new ATOM 0 HD2 ARG A 111 8.316 37.359 0.377 1.00 1.00 H new ATOM 0 HD3 ARG A 111 7.894 38.352 -1.004 1.00 1.00 H new ATOM 0 HE ARG A 111 6.256 39.044 1.278 1.00 1.00 H new ATOM 0 HH11 ARG A 111 9.482 39.404 -0.103 1.00 1.00 H new ATOM 0 HH12 ARG A 111 9.809 40.916 0.751 1.00 1.00 H new ATOM 0 HH21 ARG A 111 6.678 40.996 2.376 1.00 1.00 H new ATOM 0 HH22 ARG A 111 8.227 41.815 2.150 1.00 1.00 H new ATOM 1705 N SER A 112 4.881 36.594 -4.164 1.00 1.00 N ATOM 1706 CA SER A 112 4.325 37.651 -4.984 1.00 1.00 C ATOM 1707 C SER A 112 2.817 37.480 -5.147 1.00 1.00 C ATOM 1708 O SER A 112 2.163 38.300 -5.795 1.00 1.00 O ATOM 1709 CB SER A 112 5.018 37.692 -6.347 1.00 1.00 C ATOM 1710 OG SER A 112 4.543 38.770 -7.140 1.00 1.00 O ATOM 0 H SER A 112 5.390 35.877 -4.680 1.00 1.00 H new ATOM 0 HA SER A 112 4.501 38.601 -4.480 1.00 1.00 H new ATOM 0 HB2 SER A 112 6.094 37.789 -6.206 1.00 1.00 H new ATOM 0 HB3 SER A 112 4.849 36.751 -6.871 1.00 1.00 H new ATOM 0 HG SER A 112 3.601 38.939 -6.931 1.00 1.00 H new ATOM 1716 N PHE A 113 2.268 36.388 -4.623 1.00 1.00 N ATOM 1717 CA PHE A 113 0.832 36.173 -4.648 1.00 1.00 C ATOM 1718 C PHE A 113 0.196 36.712 -3.369 1.00 1.00 C ATOM 1719 O PHE A 113 -1.016 36.917 -3.304 1.00 1.00 O ATOM 1720 CB PHE A 113 0.536 34.672 -4.770 1.00 1.00 C ATOM 1721 CG PHE A 113 0.928 34.054 -6.085 1.00 1.00 C ATOM 1722 CD1 PHE A 113 0.113 34.183 -7.196 1.00 1.00 C ATOM 1723 CD2 PHE A 113 2.106 33.333 -6.203 1.00 1.00 C ATOM 1724 CE1 PHE A 113 0.463 33.606 -8.403 1.00 1.00 C ATOM 1725 CE2 PHE A 113 2.464 32.754 -7.408 1.00 1.00 C ATOM 1726 CZ PHE A 113 1.640 32.890 -8.510 1.00 1.00 C ATOM 0 H PHE A 113 2.799 35.640 -4.177 1.00 1.00 H new ATOM 0 HA PHE A 113 0.413 36.700 -5.505 1.00 1.00 H new ATOM 0 HB2 PHE A 113 1.057 34.147 -3.969 1.00 1.00 H new ATOM 0 HB3 PHE A 113 -0.531 34.513 -4.614 1.00 1.00 H new ATOM 0 HD1 PHE A 113 -0.808 34.741 -7.119 1.00 1.00 H new ATOM 0 HD2 PHE A 113 2.752 33.222 -5.345 1.00 1.00 H new ATOM 0 HE1 PHE A 113 -0.183 33.715 -9.261 1.00 1.00 H new ATOM 0 HE2 PHE A 113 3.386 32.197 -7.487 1.00 1.00 H new ATOM 0 HZ PHE A 113 1.915 32.438 -9.451 1.00 1.00 H new ATOM 1736 N ASP A 114 1.028 36.950 -2.360 1.00 1.00 N ATOM 1737 CA ASP A 114 0.554 37.438 -1.066 1.00 1.00 C ATOM 1738 C ASP A 114 -0.028 38.836 -1.199 1.00 1.00 C ATOM 1739 O ASP A 114 0.664 39.766 -1.612 1.00 1.00 O ATOM 1740 CB ASP A 114 1.701 37.450 -0.041 1.00 1.00 C ATOM 1741 CG ASP A 114 1.291 38.008 1.311 1.00 1.00 C ATOM 1742 OD1 ASP A 114 0.145 37.782 1.743 1.00 1.00 O ATOM 1743 OD2 ASP A 114 2.123 38.688 1.948 1.00 1.00 O ATOM 0 H ASP A 114 2.037 36.813 -2.412 1.00 1.00 H new ATOM 0 HA ASP A 114 -0.227 36.763 -0.718 1.00 1.00 H new ATOM 0 HB2 ASP A 114 2.073 36.434 0.090 1.00 1.00 H new ATOM 0 HB3 ASP A 114 2.526 38.043 -0.436 1.00 1.00 H new ATOM 2056 N GLU A 136 7.411 26.892 10.414 1.00 1.00 N ATOM 2057 CA GLU A 136 6.058 27.424 10.418 1.00 1.00 C ATOM 2058 C GLU A 136 6.034 28.851 9.890 1.00 1.00 C ATOM 2059 O GLU A 136 4.984 29.359 9.496 1.00 1.00 O ATOM 2060 CB GLU A 136 5.454 27.351 11.823 1.00 1.00 C ATOM 2061 CG GLU A 136 5.326 25.929 12.344 1.00 1.00 C ATOM 2062 CD GLU A 136 4.159 25.755 13.294 1.00 1.00 C ATOM 2063 OE1 GLU A 136 3.044 25.439 12.821 1.00 1.00 O ATOM 2064 OE2 GLU A 136 4.347 25.931 14.512 1.00 1.00 O ATOM 0 HA GLU A 136 5.449 26.811 9.754 1.00 1.00 H new ATOM 0 HB2 GLU A 136 6.074 27.928 12.509 1.00 1.00 H new ATOM 0 HB3 GLU A 136 4.469 27.818 11.813 1.00 1.00 H new ATOM 0 HG2 GLU A 136 5.208 25.248 11.502 1.00 1.00 H new ATOM 0 HG3 GLU A 136 6.248 25.649 12.853 1.00 1.00 H new ATOM 2071 N GLU A 137 7.191 29.497 9.891 1.00 1.00 N ATOM 2072 CA GLU A 137 7.307 30.836 9.340 1.00 1.00 C ATOM 2073 C GLU A 137 7.024 30.793 7.850 1.00 1.00 C ATOM 2074 O GLU A 137 6.185 31.529 7.331 1.00 1.00 O ATOM 2075 CB GLU A 137 8.699 31.406 9.587 1.00 1.00 C ATOM 2076 CG GLU A 137 8.816 32.864 9.203 1.00 1.00 C ATOM 2077 CD GLU A 137 8.045 33.755 10.156 1.00 1.00 C ATOM 2078 OE1 GLU A 137 6.795 33.701 10.155 1.00 1.00 O ATOM 2079 OE2 GLU A 137 8.684 34.496 10.932 1.00 1.00 O ATOM 0 H GLU A 137 8.059 29.116 10.266 1.00 1.00 H new ATOM 0 HA GLU A 137 6.582 31.482 9.834 1.00 1.00 H new ATOM 0 HB2 GLU A 137 8.951 31.292 10.641 1.00 1.00 H new ATOM 0 HB3 GLU A 137 9.429 30.827 9.021 1.00 1.00 H new ATOM 0 HG2 GLU A 137 9.866 33.157 9.199 1.00 1.00 H new ATOM 0 HG3 GLU A 137 8.442 33.005 8.189 1.00 1.00 H new ATOM 2086 N VAL A 138 7.708 29.880 7.176 1.00 1.00 N ATOM 2087 CA VAL A 138 7.519 29.661 5.749 1.00 1.00 C ATOM 2088 C VAL A 138 6.086 29.216 5.475 1.00 1.00 C ATOM 2089 O VAL A 138 5.489 29.570 4.461 1.00 1.00 O ATOM 2090 CB VAL A 138 8.490 28.596 5.230 1.00 1.00 C ATOM 2091 CG1 VAL A 138 8.234 28.278 3.768 1.00 1.00 C ATOM 2092 CG2 VAL A 138 9.929 29.026 5.458 1.00 1.00 C ATOM 0 H VAL A 138 8.408 29.272 7.601 1.00 1.00 H new ATOM 0 HA VAL A 138 7.716 30.600 5.231 1.00 1.00 H new ATOM 0 HB VAL A 138 8.318 27.680 5.795 1.00 1.00 H new ATOM 0 HG11 VAL A 138 8.940 27.519 3.432 1.00 1.00 H new ATOM 0 HG12 VAL A 138 7.217 27.905 3.649 1.00 1.00 H new ATOM 0 HG13 VAL A 138 8.361 29.181 3.171 1.00 1.00 H new ATOM 0 HG21 VAL A 138 10.603 28.256 5.082 1.00 1.00 H new ATOM 0 HG22 VAL A 138 10.117 29.961 4.931 1.00 1.00 H new ATOM 0 HG23 VAL A 138 10.101 29.170 6.525 1.00 1.00 H new ATOM 2102 N PHE A 139 5.574 28.386 6.372 1.00 1.00 N ATOM 2103 CA PHE A 139 4.185 27.942 6.310 1.00 1.00 C ATOM 2104 C PHE A 139 3.269 29.159 6.236 1.00 1.00 C ATOM 2105 O PHE A 139 2.344 29.206 5.425 1.00 1.00 O ATOM 2106 CB PHE A 139 3.847 27.052 7.517 1.00 1.00 C ATOM 2107 CG PHE A 139 2.375 26.768 7.691 1.00 1.00 C ATOM 2108 CD1 PHE A 139 1.562 27.650 8.388 1.00 1.00 C ATOM 2109 CD2 PHE A 139 1.808 25.618 7.164 1.00 1.00 C ATOM 2110 CE1 PHE A 139 0.215 27.392 8.552 1.00 1.00 C ATOM 2111 CE2 PHE A 139 0.460 25.355 7.330 1.00 1.00 C ATOM 2112 CZ PHE A 139 -0.337 26.244 8.023 1.00 1.00 C ATOM 0 H PHE A 139 6.102 28.003 7.157 1.00 1.00 H new ATOM 0 HA PHE A 139 4.034 27.340 5.414 1.00 1.00 H new ATOM 0 HB2 PHE A 139 4.377 26.105 7.414 1.00 1.00 H new ATOM 0 HB3 PHE A 139 4.221 27.531 8.422 1.00 1.00 H new ATOM 0 HD1 PHE A 139 1.988 28.550 8.808 1.00 1.00 H new ATOM 0 HD2 PHE A 139 2.425 24.920 6.618 1.00 1.00 H new ATOM 0 HE1 PHE A 139 -0.406 28.089 9.095 1.00 1.00 H new ATOM 0 HE2 PHE A 139 0.031 24.454 6.917 1.00 1.00 H new ATOM 0 HZ PHE A 139 -1.390 26.041 8.151 1.00 1.00 H new ATOM 2122 N ALA A 140 3.598 30.167 7.037 1.00 1.00 N ATOM 2123 CA ALA A 140 2.860 31.418 7.050 1.00 1.00 C ATOM 2124 C ALA A 140 3.014 32.133 5.714 1.00 1.00 C ATOM 2125 O ALA A 140 2.052 32.687 5.188 1.00 1.00 O ATOM 2126 CB ALA A 140 3.340 32.309 8.182 1.00 1.00 C ATOM 0 H ALA A 140 4.380 30.137 7.691 1.00 1.00 H new ATOM 0 HA ALA A 140 1.805 31.196 7.210 1.00 1.00 H new ATOM 0 HB1 ALA A 140 2.775 33.241 8.176 1.00 1.00 H new ATOM 0 HB2 ALA A 140 3.190 31.800 9.134 1.00 1.00 H new ATOM 0 HB3 ALA A 140 4.400 32.526 8.050 1.00 1.00 H new ATOM 2132 N VAL A 141 4.231 32.115 5.172 1.00 1.00 N ATOM 2133 CA VAL A 141 4.496 32.719 3.869 1.00 1.00 C ATOM 2134 C VAL A 141 3.564 32.129 2.818 1.00 1.00 C ATOM 2135 O VAL A 141 2.862 32.845 2.103 1.00 1.00 O ATOM 2136 CB VAL A 141 5.948 32.454 3.384 1.00 1.00 C ATOM 2137 CG1 VAL A 141 6.300 33.314 2.182 1.00 1.00 C ATOM 2138 CG2 VAL A 141 6.978 32.633 4.490 1.00 1.00 C ATOM 0 H VAL A 141 5.046 31.690 5.614 1.00 1.00 H new ATOM 0 HA VAL A 141 4.340 33.791 3.990 1.00 1.00 H new ATOM 0 HB VAL A 141 5.980 31.408 3.081 1.00 1.00 H new ATOM 0 HG11 VAL A 141 7.323 33.102 1.870 1.00 1.00 H new ATOM 0 HG12 VAL A 141 5.617 33.091 1.362 1.00 1.00 H new ATOM 0 HG13 VAL A 141 6.213 34.367 2.450 1.00 1.00 H new ATOM 0 HG21 VAL A 141 7.974 32.435 4.095 1.00 1.00 H new ATOM 0 HG22 VAL A 141 6.933 33.655 4.867 1.00 1.00 H new ATOM 0 HG23 VAL A 141 6.765 31.937 5.302 1.00 1.00 H new ATOM 2148 N ILE A 142 3.556 30.810 2.758 1.00 1.00 N ATOM 2149 CA ILE A 142 2.759 30.080 1.794 1.00 1.00 C ATOM 2150 C ILE A 142 1.270 30.294 2.006 1.00 1.00 C ATOM 2151 O ILE A 142 0.555 30.625 1.069 1.00 1.00 O ATOM 2152 CB ILE A 142 3.090 28.584 1.860 1.00 1.00 C ATOM 2153 CG1 ILE A 142 4.480 28.358 1.285 1.00 1.00 C ATOM 2154 CG2 ILE A 142 2.055 27.757 1.117 1.00 1.00 C ATOM 2155 CD1 ILE A 142 5.292 27.350 2.053 1.00 1.00 C ATOM 0 H ILE A 142 4.104 30.215 3.379 1.00 1.00 H new ATOM 0 HA ILE A 142 3.008 30.465 0.805 1.00 1.00 H new ATOM 0 HB ILE A 142 3.071 28.261 2.901 1.00 1.00 H new ATOM 0 HG12 ILE A 142 4.387 28.026 0.251 1.00 1.00 H new ATOM 0 HG13 ILE A 142 5.016 29.307 1.268 1.00 1.00 H new ATOM 0 HG21 ILE A 142 2.318 26.701 1.182 1.00 1.00 H new ATOM 0 HG22 ILE A 142 1.074 27.915 1.564 1.00 1.00 H new ATOM 0 HG23 ILE A 142 2.030 28.061 0.070 1.00 1.00 H new ATOM 0 HD11 ILE A 142 6.271 27.240 1.586 1.00 1.00 H new ATOM 0 HD12 ILE A 142 5.416 27.690 3.081 1.00 1.00 H new ATOM 0 HD13 ILE A 142 4.778 26.389 2.049 1.00 1.00 H new ATOM 2167 N GLU A 143 0.803 30.088 3.229 1.00 1.00 N ATOM 2168 CA GLU A 143 -0.616 30.268 3.534 1.00 1.00 C ATOM 2169 C GLU A 143 -1.066 31.683 3.161 1.00 1.00 C ATOM 2170 O GLU A 143 -2.209 31.897 2.766 1.00 1.00 O ATOM 2171 CB GLU A 143 -0.916 29.980 5.012 1.00 1.00 C ATOM 2172 CG GLU A 143 -0.537 31.112 5.946 1.00 1.00 C ATOM 2173 CD GLU A 143 -0.974 30.872 7.374 1.00 1.00 C ATOM 2174 OE1 GLU A 143 -2.091 30.358 7.579 1.00 1.00 O ATOM 2175 OE2 GLU A 143 -0.211 31.230 8.295 1.00 1.00 O ATOM 0 H GLU A 143 1.376 29.799 4.022 1.00 1.00 H new ATOM 0 HA GLU A 143 -1.179 29.550 2.937 1.00 1.00 H new ATOM 0 HB2 GLU A 143 -1.980 29.771 5.123 1.00 1.00 H new ATOM 0 HB3 GLU A 143 -0.381 29.079 5.313 1.00 1.00 H new ATOM 0 HG2 GLU A 143 0.544 31.250 5.921 1.00 1.00 H new ATOM 0 HG3 GLU A 143 -0.985 32.038 5.586 1.00 1.00 H new ATOM 2182 N SER A 144 -0.145 32.639 3.273 1.00 1.00 N ATOM 2183 CA SER A 144 -0.431 34.029 2.945 1.00 1.00 C ATOM 2184 C SER A 144 -0.500 34.211 1.433 1.00 1.00 C ATOM 2185 O SER A 144 -1.154 35.121 0.938 1.00 1.00 O ATOM 2186 CB SER A 144 0.637 34.947 3.539 1.00 1.00 C ATOM 2187 OG SER A 144 0.112 36.237 3.816 1.00 1.00 O ATOM 0 H SER A 144 0.810 32.472 3.590 1.00 1.00 H new ATOM 0 HA SER A 144 -1.397 34.295 3.375 1.00 1.00 H new ATOM 0 HB2 SER A 144 1.029 34.507 4.456 1.00 1.00 H new ATOM 0 HB3 SER A 144 1.473 35.033 2.844 1.00 1.00 H new ATOM 0 HG SER A 144 -0.108 36.688 2.974 1.00 1.00 H new ATOM 2193 N ALA A 145 0.233 33.368 0.713 1.00 1.00 N ATOM 2194 CA ALA A 145 0.250 33.413 -0.742 1.00 1.00 C ATOM 2195 C ALA A 145 -0.870 32.597 -1.334 1.00 1.00 C ATOM 2196 O ALA A 145 -1.279 32.845 -2.461 1.00 1.00 O ATOM 2197 CB ALA A 145 1.561 32.910 -1.310 1.00 1.00 C ATOM 0 H ALA A 145 0.825 32.643 1.117 1.00 1.00 H new ATOM 0 HA ALA A 145 0.122 34.462 -1.011 1.00 1.00 H new ATOM 0 HB1 ALA A 145 1.530 32.961 -2.398 1.00 1.00 H new ATOM 0 HB2 ALA A 145 2.379 33.529 -0.941 1.00 1.00 H new ATOM 0 HB3 ALA A 145 1.719 31.877 -1.000 1.00 1.00 H new ATOM 2203 N LEU A 146 -1.372 31.611 -0.599 1.00 1.00 N ATOM 2204 CA LEU A 146 -2.430 30.757 -1.113 1.00 1.00 C ATOM 2205 C LEU A 146 -3.666 31.558 -1.576 1.00 1.00 C ATOM 2206 O LEU A 146 -4.270 31.200 -2.578 1.00 1.00 O ATOM 2207 CB LEU A 146 -2.824 29.694 -0.078 1.00 1.00 C ATOM 2208 CG LEU A 146 -1.692 28.741 0.332 1.00 1.00 C ATOM 2209 CD1 LEU A 146 -2.245 27.475 0.960 1.00 1.00 C ATOM 2210 CD2 LEU A 146 -0.810 28.396 -0.857 1.00 1.00 C ATOM 0 H LEU A 146 -1.065 31.386 0.347 1.00 1.00 H new ATOM 0 HA LEU A 146 -2.031 30.256 -1.995 1.00 1.00 H new ATOM 0 HB2 LEU A 146 -3.197 30.197 0.814 1.00 1.00 H new ATOM 0 HB3 LEU A 146 -3.648 29.104 -0.480 1.00 1.00 H new ATOM 0 HG LEU A 146 -1.083 29.256 1.075 1.00 1.00 H new ATOM 0 HD11 LEU A 146 -1.421 26.818 1.241 1.00 1.00 H new ATOM 0 HD12 LEU A 146 -2.823 27.732 1.848 1.00 1.00 H new ATOM 0 HD13 LEU A 146 -2.888 26.964 0.243 1.00 1.00 H new ATOM 0 HD21 LEU A 146 -0.017 27.720 -0.538 1.00 1.00 H new ATOM 0 HD22 LEU A 146 -1.411 27.913 -1.627 1.00 1.00 H new ATOM 0 HD23 LEU A 146 -0.369 29.308 -1.260 1.00 1.00 H new ATOM 2222 N PRO A 147 -4.056 32.666 -0.884 1.00 1.00 N ATOM 2223 CA PRO A 147 -5.190 33.508 -1.315 1.00 1.00 C ATOM 2224 C PRO A 147 -4.868 34.287 -2.594 1.00 1.00 C ATOM 2225 O PRO A 147 -5.753 34.845 -3.244 1.00 1.00 O ATOM 2226 CB PRO A 147 -5.380 34.483 -0.152 1.00 1.00 C ATOM 2227 CG PRO A 147 -4.040 34.554 0.486 1.00 1.00 C ATOM 2228 CD PRO A 147 -3.452 33.187 0.357 1.00 1.00 C ATOM 0 HA PRO A 147 -6.074 32.912 -1.540 1.00 1.00 H new ATOM 0 HB2 PRO A 147 -5.707 35.462 -0.502 1.00 1.00 H new ATOM 0 HB3 PRO A 147 -6.136 34.126 0.548 1.00 1.00 H new ATOM 0 HG2 PRO A 147 -3.412 35.297 -0.006 1.00 1.00 H new ATOM 0 HG3 PRO A 147 -4.121 34.847 1.533 1.00 1.00 H new ATOM 0 HD2 PRO A 147 -2.365 33.223 0.289 1.00 1.00 H new ATOM 0 HD3 PRO A 147 -3.698 32.562 1.216 1.00 1.00 H new ATOM 2236 N GLY A 148 -3.591 34.273 -2.955 1.00 1.00 N ATOM 2237 CA GLY A 148 -3.133 34.952 -4.151 1.00 1.00 C ATOM 2238 C GLY A 148 -2.844 33.959 -5.251 1.00 1.00 C ATOM 2239 O GLY A 148 -3.109 34.212 -6.424 1.00 1.00 O ATOM 0 H GLY A 148 -2.856 33.797 -2.432 1.00 1.00 H new ATOM 0 HA2 GLY A 148 -3.890 35.662 -4.485 1.00 1.00 H new ATOM 0 HA3 GLY A 148 -2.234 35.526 -3.927 1.00 1.00 H new ATOM 2243 N LEU A 149 -2.367 32.789 -4.849 1.00 1.00 N ATOM 2244 CA LEU A 149 -2.064 31.718 -5.780 1.00 1.00 C ATOM 2245 C LEU A 149 -3.374 31.108 -6.254 1.00 1.00 C ATOM 2246 O LEU A 149 -3.547 30.810 -7.434 1.00 1.00 O ATOM 2247 CB LEU A 149 -1.166 30.665 -5.104 1.00 1.00 C ATOM 2248 CG LEU A 149 0.077 30.280 -5.896 1.00 1.00 C ATOM 2249 CD1 LEU A 149 0.719 29.035 -5.319 1.00 1.00 C ATOM 2250 CD2 LEU A 149 -0.276 30.056 -7.346 1.00 1.00 C ATOM 0 H LEU A 149 -2.181 32.559 -3.873 1.00 1.00 H new ATOM 0 HA LEU A 149 -1.519 32.106 -6.640 1.00 1.00 H new ATOM 0 HB2 LEU A 149 -0.856 31.044 -4.130 1.00 1.00 H new ATOM 0 HB3 LEU A 149 -1.757 29.767 -4.923 1.00 1.00 H new ATOM 0 HG LEU A 149 0.792 31.100 -5.827 1.00 1.00 H new ATOM 0 HD11 LEU A 149 1.605 28.779 -5.901 1.00 1.00 H new ATOM 0 HD12 LEU A 149 1.006 29.220 -4.284 1.00 1.00 H new ATOM 0 HD13 LEU A 149 0.009 28.209 -5.357 1.00 1.00 H new ATOM 0 HD21 LEU A 149 0.621 29.782 -7.901 1.00 1.00 H new ATOM 0 HD22 LEU A 149 -1.009 29.253 -7.422 1.00 1.00 H new ATOM 0 HD23 LEU A 149 -0.695 30.971 -7.764 1.00 1.00 H new ATOM 2262 N HIS A 150 -4.295 30.952 -5.307 1.00 1.00 N ATOM 2263 CA HIS A 150 -5.648 30.486 -5.605 1.00 1.00 C ATOM 2264 C HIS A 150 -6.271 31.360 -6.666 1.00 1.00 C ATOM 2265 O HIS A 150 -6.623 30.894 -7.737 1.00 1.00 O ATOM 2266 CB HIS A 150 -6.544 30.568 -4.375 1.00 1.00 C ATOM 2267 CG HIS A 150 -6.892 29.250 -3.777 1.00 1.00 C ATOM 2268 ND1 HIS A 150 -7.845 28.407 -4.303 1.00 1.00 N ATOM 2269 CD2 HIS A 150 -6.416 28.641 -2.675 1.00 1.00 C ATOM 2270 CE1 HIS A 150 -7.941 27.332 -3.540 1.00 1.00 C ATOM 2271 NE2 HIS A 150 -7.082 27.448 -2.538 1.00 1.00 N ATOM 0 H HIS A 150 -4.128 31.143 -4.319 1.00 1.00 H new ATOM 0 HA HIS A 150 -5.566 29.452 -5.940 1.00 1.00 H new ATOM 0 HB2 HIS A 150 -6.047 31.176 -3.619 1.00 1.00 H new ATOM 0 HB3 HIS A 150 -7.465 31.085 -4.645 1.00 1.00 H new ATOM 0 HD2 HIS A 150 -5.649 29.022 -2.017 1.00 1.00 H new ATOM 0 HE1 HIS A 150 -8.608 26.499 -3.706 1.00 1.00 H new ATOM 0 HE2 HIS A 150 -6.940 26.767 -1.792 1.00 1.00 H new ATOM 2280 N ASP A 151 -6.291 32.658 -6.392 1.00 1.00 N ATOM 2281 CA ASP A 151 -6.943 33.618 -7.268 1.00 1.00 C ATOM 2282 C ASP A 151 -6.362 33.547 -8.670 1.00 1.00 C ATOM 2283 O ASP A 151 -7.091 33.562 -9.654 1.00 1.00 O ATOM 2284 CB ASP A 151 -6.765 35.026 -6.695 1.00 1.00 C ATOM 2285 CG ASP A 151 -7.857 35.991 -7.111 1.00 1.00 C ATOM 2286 OD1 ASP A 151 -7.777 36.559 -8.215 1.00 1.00 O ATOM 2287 OD2 ASP A 151 -8.802 36.191 -6.313 1.00 1.00 O ATOM 0 H ASP A 151 -5.860 33.070 -5.565 1.00 1.00 H new ATOM 0 HA ASP A 151 -8.005 33.379 -7.329 1.00 1.00 H new ATOM 0 HB2 ASP A 151 -6.739 34.966 -5.607 1.00 1.00 H new ATOM 0 HB3 ASP A 151 -5.801 35.421 -7.015 1.00 1.00 H new ATOM 2292 N TRP A 152 -5.045 33.404 -8.738 1.00 1.00 N ATOM 2293 CA TRP A 152 -4.346 33.316 -10.009 1.00 1.00 C ATOM 2294 C TRP A 152 -4.775 32.074 -10.775 1.00 1.00 C ATOM 2295 O TRP A 152 -5.264 32.172 -11.896 1.00 1.00 O ATOM 2296 CB TRP A 152 -2.834 33.298 -9.778 1.00 1.00 C ATOM 2297 CG TRP A 152 -2.026 33.493 -11.026 1.00 1.00 C ATOM 2298 CD1 TRP A 152 -1.400 34.639 -11.418 1.00 1.00 C ATOM 2299 CD2 TRP A 152 -1.761 32.523 -12.048 1.00 1.00 C ATOM 2300 NE1 TRP A 152 -0.756 34.438 -12.613 1.00 1.00 N ATOM 2301 CE2 TRP A 152 -0.966 33.150 -13.019 1.00 1.00 C ATOM 2302 CE3 TRP A 152 -2.120 31.183 -12.235 1.00 1.00 C ATOM 2303 CZ2 TRP A 152 -0.525 32.485 -14.154 1.00 1.00 C ATOM 2304 CZ3 TRP A 152 -1.679 30.528 -13.366 1.00 1.00 C ATOM 2305 CH2 TRP A 152 -0.889 31.180 -14.311 1.00 1.00 C ATOM 0 H TRP A 152 -4.438 33.346 -7.921 1.00 1.00 H new ATOM 0 HA TRP A 152 -4.603 34.192 -10.605 1.00 1.00 H new ATOM 0 HB2 TRP A 152 -2.576 34.080 -9.064 1.00 1.00 H new ATOM 0 HB3 TRP A 152 -2.557 32.347 -9.323 1.00 1.00 H new ATOM 0 HD1 TRP A 152 -1.410 35.569 -10.869 1.00 1.00 H new ATOM 0 HE1 TRP A 152 -0.209 35.137 -13.117 1.00 1.00 H new ATOM 0 HE3 TRP A 152 -2.731 30.671 -11.507 1.00 1.00 H new ATOM 0 HZ2 TRP A 152 0.087 32.985 -14.890 1.00 1.00 H new ATOM 0 HZ3 TRP A 152 -1.950 29.494 -13.522 1.00 1.00 H new ATOM 0 HH2 TRP A 152 -0.558 30.641 -15.186 1.00 1.00 H new ATOM 2316 N VAL A 153 -4.608 30.907 -10.165 1.00 1.00 N ATOM 2317 CA VAL A 153 -4.955 29.658 -10.834 1.00 1.00 C ATOM 2318 C VAL A 153 -6.447 29.634 -11.166 1.00 1.00 C ATOM 2319 O VAL A 153 -6.824 29.270 -12.278 1.00 1.00 O ATOM 2320 CB VAL A 153 -4.559 28.410 -10.000 1.00 1.00 C ATOM 2321 CG1 VAL A 153 -3.101 28.503 -9.579 1.00 1.00 C ATOM 2322 CG2 VAL A 153 -5.440 28.222 -8.773 1.00 1.00 C ATOM 0 H VAL A 153 -4.239 30.798 -9.220 1.00 1.00 H new ATOM 0 HA VAL A 153 -4.381 29.615 -11.760 1.00 1.00 H new ATOM 0 HB VAL A 153 -4.706 27.540 -10.640 1.00 1.00 H new ATOM 0 HG11 VAL A 153 -2.834 27.622 -8.995 1.00 1.00 H new ATOM 0 HG12 VAL A 153 -2.469 28.555 -10.465 1.00 1.00 H new ATOM 0 HG13 VAL A 153 -2.953 29.398 -8.975 1.00 1.00 H new ATOM 0 HG21 VAL A 153 -5.119 27.335 -8.227 1.00 1.00 H new ATOM 0 HG22 VAL A 153 -5.356 29.096 -8.127 1.00 1.00 H new ATOM 0 HG23 VAL A 153 -6.477 28.100 -9.085 1.00 1.00 H new ATOM 2332 N ASP A 154 -7.275 30.109 -10.229 1.00 1.00 N ATOM 2333 CA ASP A 154 -8.722 30.166 -10.423 1.00 1.00 C ATOM 2334 C ASP A 154 -9.065 31.052 -11.620 1.00 1.00 C ATOM 2335 O ASP A 154 -9.801 30.645 -12.516 1.00 1.00 O ATOM 2336 CB ASP A 154 -9.442 30.689 -9.160 1.00 1.00 C ATOM 2337 CG ASP A 154 -9.720 29.618 -8.103 1.00 1.00 C ATOM 2338 OD1 ASP A 154 -8.840 29.382 -7.247 1.00 1.00 O ATOM 2339 OD2 ASP A 154 -10.795 28.977 -8.145 1.00 1.00 O ATOM 0 H ASP A 154 -6.962 30.461 -9.324 1.00 1.00 H new ATOM 0 HA ASP A 154 -9.068 29.151 -10.616 1.00 1.00 H new ATOM 0 HB2 ASP A 154 -8.837 31.477 -8.711 1.00 1.00 H new ATOM 0 HB3 ASP A 154 -10.387 31.143 -9.457 1.00 1.00 H new ATOM 2344 N GLU A 155 -8.506 32.262 -11.636 1.00 1.00 N ATOM 2345 CA GLU A 155 -8.769 33.225 -12.707 1.00 1.00 C ATOM 2346 C GLU A 155 -8.270 32.695 -14.054 1.00 1.00 C ATOM 2347 O GLU A 155 -8.913 32.883 -15.092 1.00 1.00 O ATOM 2348 CB GLU A 155 -8.095 34.576 -12.416 1.00 1.00 C ATOM 2349 CG GLU A 155 -6.636 34.625 -12.851 1.00 1.00 C ATOM 2350 CD GLU A 155 -6.040 36.017 -12.864 1.00 1.00 C ATOM 2351 OE1 GLU A 155 -6.802 36.993 -13.029 1.00 1.00 O ATOM 2352 OE2 GLU A 155 -4.818 36.144 -12.638 1.00 1.00 O ATOM 0 H GLU A 155 -7.866 32.600 -10.917 1.00 1.00 H new ATOM 0 HA GLU A 155 -9.849 33.368 -12.754 1.00 1.00 H new ATOM 0 HB2 GLU A 155 -8.646 35.367 -12.925 1.00 1.00 H new ATOM 0 HB3 GLU A 155 -8.156 34.782 -11.347 1.00 1.00 H new ATOM 0 HG2 GLU A 155 -6.048 33.996 -12.183 1.00 1.00 H new ATOM 0 HG3 GLU A 155 -6.551 34.196 -13.849 1.00 1.00 H new ATOM 2359 N ARG A 156 -7.128 32.022 -14.025 1.00 1.00 N ATOM 2360 CA ARG A 156 -6.508 31.519 -15.235 1.00 1.00 C ATOM 2361 C ARG A 156 -7.281 30.340 -15.780 1.00 1.00 C ATOM 2362 O ARG A 156 -7.600 30.290 -16.963 1.00 1.00 O ATOM 2363 CB ARG A 156 -5.058 31.140 -14.966 1.00 1.00 C ATOM 2364 CG ARG A 156 -4.188 32.341 -14.677 1.00 1.00 C ATOM 2365 CD ARG A 156 -4.560 33.482 -15.586 1.00 1.00 C ATOM 2366 NE ARG A 156 -4.047 34.769 -15.114 1.00 1.00 N ATOM 2367 CZ ARG A 156 -3.673 35.765 -15.910 1.00 1.00 C ATOM 2368 NH1 ARG A 156 -3.582 35.570 -17.222 1.00 1.00 N ATOM 2369 NH2 ARG A 156 -3.378 36.949 -15.387 1.00 1.00 N ATOM 0 H ARG A 156 -6.613 31.813 -13.170 1.00 1.00 H new ATOM 0 HA ARG A 156 -6.523 32.307 -15.987 1.00 1.00 H new ATOM 0 HB2 ARG A 156 -5.017 30.454 -14.120 1.00 1.00 H new ATOM 0 HB3 ARG A 156 -4.660 30.606 -15.829 1.00 1.00 H new ATOM 0 HG2 ARG A 156 -4.305 32.642 -13.636 1.00 1.00 H new ATOM 0 HG3 ARG A 156 -3.139 32.082 -14.817 1.00 1.00 H new ATOM 0 HD2 ARG A 156 -4.173 33.286 -16.586 1.00 1.00 H new ATOM 0 HD3 ARG A 156 -5.645 33.536 -15.669 1.00 1.00 H new ATOM 0 HE ARG A 156 -3.972 34.911 -14.107 1.00 1.00 H new ATOM 0 HH11 ARG A 156 -3.799 34.655 -17.618 1.00 1.00 H new ATOM 0 HH12 ARG A 156 -3.295 36.335 -17.833 1.00 1.00 H new ATOM 0 HH21 ARG A 156 -3.439 37.091 -14.379 1.00 1.00 H new ATOM 0 HH22 ARG A 156 -3.090 37.717 -15.993 1.00 1.00 H new ATOM 2383 N LEU A 157 -7.645 29.434 -14.892 1.00 1.00 N ATOM 2384 CA LEU A 157 -8.407 28.254 -15.285 1.00 1.00 C ATOM 2385 C LEU A 157 -9.802 28.670 -15.745 1.00 1.00 C ATOM 2386 O LEU A 157 -10.448 27.972 -16.529 1.00 1.00 O ATOM 2387 CB LEU A 157 -8.466 27.204 -14.145 1.00 1.00 C ATOM 2388 CG LEU A 157 -9.287 27.550 -12.892 1.00 1.00 C ATOM 2389 CD1 LEU A 157 -10.774 27.295 -13.116 1.00 1.00 C ATOM 2390 CD2 LEU A 157 -8.785 26.736 -11.708 1.00 1.00 C ATOM 0 H LEU A 157 -7.429 29.488 -13.897 1.00 1.00 H new ATOM 0 HA LEU A 157 -7.897 27.774 -16.120 1.00 1.00 H new ATOM 0 HB2 LEU A 157 -8.865 26.279 -14.562 1.00 1.00 H new ATOM 0 HB3 LEU A 157 -7.444 26.996 -13.829 1.00 1.00 H new ATOM 0 HG LEU A 157 -9.160 28.612 -12.681 1.00 1.00 H new ATOM 0 HD11 LEU A 157 -11.327 27.549 -12.212 1.00 1.00 H new ATOM 0 HD12 LEU A 157 -11.128 27.910 -13.943 1.00 1.00 H new ATOM 0 HD13 LEU A 157 -10.931 26.243 -13.353 1.00 1.00 H new ATOM 0 HD21 LEU A 157 -9.369 26.984 -10.822 1.00 1.00 H new ATOM 0 HD22 LEU A 157 -8.890 25.673 -11.926 1.00 1.00 H new ATOM 0 HD23 LEU A 157 -7.735 26.967 -11.527 1.00 1.00 H new