USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=26 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 45 THR OG1 : rot 150:sc= 0.015 USER MOD Set 1.2: A 93 HIS : no HE2:sc= -5.18! C(o=-5.2!,f=-7.2!) USER MOD Set 2.1: A 47 ASN : amide:sc= -0.319 X(o=-1.9,f=-1.9) USER MOD Set 2.2: A 75 GLN : amide:sc= -1.59! C(o=-1.9!,f=-1.9!) USER MOD Set 3.1: A 49 HIS : no HD1:sc= 0.954 K(o=2.3,f=-5.7!) USER MOD Set 3.2: A 52 SER OG : rot 177:sc= 1.38 USER MOD Set 4.1: A 11 CYS SG : rot -132:sc= -1.63 USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0.13 USER MOD Set 4.3: A 16 CYS SG : rot 180:sc= 1.23 USER MOD Set 5.1: A 14 ASN : amide:sc= -3.84! C(o=-3.7!,f=-11!) USER MOD Set 5.2: A 42 SER OG : rot -64:sc= 0.986 USER MOD Set 5.3: A 71 HIS : +bothHN:sc= -0.876 K(o=-3.7,f=-10!) USER MOD Set 6.1: A 6 HIS :FLIP no HD1:sc= -0.174 X(o=-3.3,f=-3.2) USER MOD Set 6.2: A 8 THR OG1 : rot 153:sc= 0.528 USER MOD Set 6.3: A 41 THR OG1 : rot 180:sc= -0.0839 USER MOD Set 6.4: A 80 HIS :FLIP no HD1:sc= -3.47 F(o=-5.6!,f=-3.2) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 161:sc= -3.78! (180deg=-5.52!) USER MOD Single : A 23 LYS NZ :NH3+ -106:sc= -1.53 (180deg=-3.02!) USER MOD Single : A 24 MET CE :methyl -141:sc= -1.45 (180deg=-2.99!) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.354 F(o=-2!,f=-0.35) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.111 F(o=-1.9!,f=-0.11) USER MOD Single : A 31 HIS : no HD1:sc= -0.0129 X(o=-0.013,f=-0.013) USER MOD Single : A 53 CYS SG : rot 46:sc= 0.0661 USER MOD Single : A 65 HIS : no HD1:sc= -0.413 K(o=-0.41,f=-5.6!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 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= 1.05 K(o=1,f=-0.17) USER MOD Single : A 99 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.5) USER MOD Single : A 109 MET CE :methyl -156:sc= -0.403 (180deg=-1.52!) USER MOD Single : A 112 SER OG : rot -10:sc= 0.524 USER MOD Single : A 144 SER OG : rot -66:sc= 1.22 USER MOD Single : A 150 HIS : no HE2:sc= -5.29! C(o=-5.3!,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 50 N PRO A 4 -6.323 20.821 -17.434 1.00 1.00 N ATOM 51 CA PRO A 4 -6.102 21.567 -16.195 1.00 1.00 C ATOM 52 C PRO A 4 -4.849 22.432 -16.213 1.00 1.00 C ATOM 53 O PRO A 4 -3.985 22.305 -17.082 1.00 1.00 O ATOM 54 CB PRO A 4 -5.969 20.471 -15.136 1.00 1.00 C ATOM 55 CG PRO A 4 -5.577 19.250 -15.884 1.00 1.00 C ATOM 56 CD PRO A 4 -6.220 19.365 -17.225 1.00 1.00 C ATOM 0 HA PRO A 4 -6.914 22.272 -16.017 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -5.219 20.733 -14.390 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -6.909 20.322 -14.604 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -4.493 19.180 -15.976 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -5.912 18.351 -15.367 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -5.619 18.890 -18.000 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -7.199 18.887 -17.243 1.00 1.00 H new ATOM 64 N LEU A 5 -4.748 23.280 -15.202 1.00 1.00 N ATOM 65 CA LEU A 5 -3.624 24.193 -15.068 1.00 1.00 C ATOM 66 C LEU A 5 -2.367 23.442 -14.645 1.00 1.00 C ATOM 67 O LEU A 5 -2.362 22.218 -14.583 1.00 1.00 O ATOM 68 CB LEU A 5 -3.936 25.268 -14.046 1.00 1.00 C ATOM 69 CG LEU A 5 -3.406 26.654 -14.402 1.00 1.00 C ATOM 70 CD1 LEU A 5 -4.446 27.437 -15.188 1.00 1.00 C ATOM 71 CD2 LEU A 5 -2.984 27.397 -13.152 1.00 1.00 C ATOM 0 H LEU A 5 -5.439 23.355 -14.455 1.00 1.00 H new ATOM 0 HA LEU A 5 -3.450 24.657 -16.039 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -5.017 25.328 -13.919 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -3.518 24.969 -13.084 1.00 1.00 H new ATOM 0 HG LEU A 5 -2.526 26.540 -15.036 1.00 1.00 H new ATOM 0 HD11 LEU A 5 -4.051 28.423 -15.433 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -4.685 26.903 -16.108 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -5.349 27.547 -14.587 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -2.609 28.383 -13.424 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -3.841 27.506 -12.487 1.00 1.00 H new ATOM 0 HD23 LEU A 5 -2.199 26.837 -12.644 1.00 1.00 H new ATOM 83 N HIS A 6 -1.304 24.172 -14.337 1.00 1.00 N ATOM 84 CA HIS A 6 -0.065 23.543 -13.908 1.00 1.00 C ATOM 85 C HIS A 6 0.786 24.514 -13.105 1.00 1.00 C ATOM 86 O HIS A 6 1.467 25.354 -13.679 1.00 1.00 O ATOM 87 CB HIS A 6 0.726 23.054 -15.116 1.00 1.00 C ATOM 88 CG HIS A 6 1.266 21.662 -14.967 1.00 1.00 C ATOM 89 ND1 HIS A 6 1.493 20.907 -13.863 1.00 1.00 N flip ATOM 90 CD2 HIS A 6 1.649 20.892 -16.039 1.00 1.00 C flip ATOM 91 CE1 HIS A 6 2.007 19.706 -14.289 1.00 1.00 C flip ATOM 92 NE2 HIS A 6 2.091 19.726 -15.608 1.00 1.00 N flip ATOM 0 H HIS A 6 -1.275 25.191 -14.376 1.00 1.00 H new ATOM 0 HA HIS A 6 -0.321 22.694 -13.275 1.00 1.00 H new ATOM 0 HB2 HIS A 6 0.085 23.092 -15.997 1.00 1.00 H new ATOM 0 HB3 HIS A 6 1.556 23.738 -15.295 1.00 1.00 H new ATOM 0 HD2 HIS A 6 1.596 21.195 -17.074 1.00 1.00 H new ATOM 0 HE1 HIS A 6 2.295 18.883 -13.652 1.00 1.00 H new ATOM 0 HE2 HIS A 6 2.439 18.967 -16.194 1.00 1.00 H new ATOM 101 N VAL A 7 0.660 24.474 -11.789 1.00 1.00 N ATOM 102 CA VAL A 7 1.476 25.311 -10.924 1.00 1.00 C ATOM 103 C VAL A 7 2.668 24.508 -10.448 1.00 1.00 C ATOM 104 O VAL A 7 2.499 23.480 -9.808 1.00 1.00 O ATOM 105 CB VAL A 7 0.723 25.806 -9.672 1.00 1.00 C ATOM 106 CG1 VAL A 7 1.351 27.077 -9.138 1.00 1.00 C ATOM 107 CG2 VAL A 7 -0.757 26.004 -9.937 1.00 1.00 C ATOM 0 H VAL A 7 0.001 23.871 -11.296 1.00 1.00 H new ATOM 0 HA VAL A 7 1.766 26.181 -11.513 1.00 1.00 H new ATOM 0 HB VAL A 7 0.811 25.029 -8.913 1.00 1.00 H new ATOM 0 HG11 VAL A 7 0.805 27.409 -8.255 1.00 1.00 H new ATOM 0 HG12 VAL A 7 2.390 26.885 -8.871 1.00 1.00 H new ATOM 0 HG13 VAL A 7 1.310 27.852 -9.903 1.00 1.00 H new ATOM 0 HG21 VAL A 7 -1.246 26.353 -9.027 1.00 1.00 H new ATOM 0 HG22 VAL A 7 -0.889 26.743 -10.727 1.00 1.00 H new ATOM 0 HG23 VAL A 7 -1.201 25.058 -10.248 1.00 1.00 H new ATOM 117 N THR A 8 3.854 24.910 -10.829 1.00 1.00 N ATOM 118 CA THR A 8 5.051 24.214 -10.390 1.00 1.00 C ATOM 119 C THR A 8 5.951 25.151 -9.573 1.00 1.00 C ATOM 120 O THR A 8 6.378 26.194 -10.056 1.00 1.00 O ATOM 121 CB THR A 8 5.809 23.593 -11.596 1.00 1.00 C ATOM 122 OG1 THR A 8 6.851 22.726 -11.137 1.00 1.00 O ATOM 123 CG2 THR A 8 6.399 24.651 -12.509 1.00 1.00 C ATOM 0 H THR A 8 4.023 25.710 -11.439 1.00 1.00 H new ATOM 0 HA THR A 8 4.753 23.392 -9.739 1.00 1.00 H new ATOM 0 HB THR A 8 5.079 23.023 -12.170 1.00 1.00 H new ATOM 0 HG1 THR A 8 7.023 22.036 -11.811 1.00 1.00 H new ATOM 0 HG21 THR A 8 6.919 24.169 -13.337 1.00 1.00 H new ATOM 0 HG22 THR A 8 5.600 25.281 -12.900 1.00 1.00 H new ATOM 0 HG23 THR A 8 7.103 25.265 -11.947 1.00 1.00 H new ATOM 131 N PHE A 9 6.132 24.837 -8.292 1.00 1.00 N ATOM 132 CA PHE A 9 6.955 25.676 -7.419 1.00 1.00 C ATOM 133 C PHE A 9 8.416 25.323 -7.571 1.00 1.00 C ATOM 134 O PHE A 9 8.791 24.158 -7.471 1.00 1.00 O ATOM 135 CB PHE A 9 6.566 25.525 -5.953 1.00 1.00 C ATOM 136 CG PHE A 9 5.136 25.160 -5.747 1.00 1.00 C ATOM 137 CD1 PHE A 9 4.123 26.066 -5.993 1.00 1.00 C ATOM 138 CD2 PHE A 9 4.812 23.895 -5.313 1.00 1.00 C ATOM 139 CE1 PHE A 9 2.809 25.709 -5.800 1.00 1.00 C ATOM 140 CE2 PHE A 9 3.505 23.532 -5.120 1.00 1.00 C ATOM 141 CZ PHE A 9 2.500 24.437 -5.363 1.00 1.00 C ATOM 0 H PHE A 9 5.726 24.019 -7.838 1.00 1.00 H new ATOM 0 HA PHE A 9 6.784 26.709 -7.721 1.00 1.00 H new ATOM 0 HB2 PHE A 9 7.196 24.762 -5.496 1.00 1.00 H new ATOM 0 HB3 PHE A 9 6.771 26.461 -5.434 1.00 1.00 H new ATOM 0 HD1 PHE A 9 4.364 27.060 -6.339 1.00 1.00 H new ATOM 0 HD2 PHE A 9 5.598 23.179 -5.122 1.00 1.00 H new ATOM 0 HE1 PHE A 9 2.021 26.422 -5.990 1.00 1.00 H new ATOM 0 HE2 PHE A 9 3.265 22.536 -4.777 1.00 1.00 H new ATOM 0 HZ PHE A 9 1.469 24.153 -5.212 1.00 1.00 H new ATOM 151 N VAL A 10 9.251 26.330 -7.731 1.00 1.00 N ATOM 152 CA VAL A 10 10.662 26.111 -7.963 1.00 1.00 C ATOM 153 C VAL A 10 11.513 26.649 -6.821 1.00 1.00 C ATOM 154 O VAL A 10 11.521 27.852 -6.540 1.00 1.00 O ATOM 155 CB VAL A 10 11.100 26.774 -9.274 1.00 1.00 C ATOM 156 CG1 VAL A 10 12.556 26.474 -9.579 1.00 1.00 C ATOM 157 CG2 VAL A 10 10.212 26.321 -10.412 1.00 1.00 C ATOM 0 H VAL A 10 8.974 27.311 -7.704 1.00 1.00 H new ATOM 0 HA VAL A 10 10.812 25.033 -8.027 1.00 1.00 H new ATOM 0 HB VAL A 10 10.999 27.853 -9.160 1.00 1.00 H new ATOM 0 HG11 VAL A 10 12.839 26.957 -10.514 1.00 1.00 H new ATOM 0 HG12 VAL A 10 13.182 26.853 -8.771 1.00 1.00 H new ATOM 0 HG13 VAL A 10 12.694 25.397 -9.671 1.00 1.00 H new ATOM 0 HG21 VAL A 10 10.534 26.799 -11.337 1.00 1.00 H new ATOM 0 HG22 VAL A 10 10.282 25.239 -10.520 1.00 1.00 H new ATOM 0 HG23 VAL A 10 9.179 26.598 -10.200 1.00 1.00 H new ATOM 167 N CYS A 11 12.262 25.757 -6.196 1.00 1.00 N ATOM 168 CA CYS A 11 13.144 26.126 -5.104 1.00 1.00 C ATOM 169 C CYS A 11 14.377 25.227 -5.112 1.00 1.00 C ATOM 170 O CYS A 11 14.399 24.201 -5.787 1.00 1.00 O ATOM 171 CB CYS A 11 12.410 26.011 -3.765 1.00 1.00 C ATOM 172 SG CYS A 11 13.349 26.630 -2.348 1.00 1.00 S ATOM 0 H CYS A 11 12.276 24.764 -6.429 1.00 1.00 H new ATOM 0 HA CYS A 11 13.458 27.161 -5.236 1.00 1.00 H new ATOM 0 HB2 CYS A 11 11.470 26.559 -3.831 1.00 1.00 H new ATOM 0 HB3 CYS A 11 12.158 24.965 -3.590 1.00 1.00 H new ATOM 0 HG CYS A 11 13.301 25.761 -1.382 1.00 1.00 H new ATOM 178 N THR A 12 15.403 25.629 -4.385 1.00 1.00 N ATOM 179 CA THR A 12 16.625 24.856 -4.293 1.00 1.00 C ATOM 180 C THR A 12 16.424 23.638 -3.404 1.00 1.00 C ATOM 181 O THR A 12 16.398 23.741 -2.181 1.00 1.00 O ATOM 182 CB THR A 12 17.770 25.726 -3.753 1.00 1.00 C ATOM 183 OG1 THR A 12 17.230 26.765 -2.927 1.00 1.00 O ATOM 184 CG2 THR A 12 18.577 26.334 -4.889 1.00 1.00 C ATOM 0 H THR A 12 15.412 26.495 -3.846 1.00 1.00 H new ATOM 0 HA THR A 12 16.889 24.513 -5.293 1.00 1.00 H new ATOM 0 HB THR A 12 18.437 25.096 -3.164 1.00 1.00 H new ATOM 0 HG1 THR A 12 17.960 27.320 -2.580 1.00 1.00 H new ATOM 0 HG21 THR A 12 19.381 26.945 -4.478 1.00 1.00 H new ATOM 0 HG22 THR A 12 19.002 25.538 -5.500 1.00 1.00 H new ATOM 0 HG23 THR A 12 17.927 26.956 -5.505 1.00 1.00 H new ATOM 192 N GLY A 13 16.141 22.512 -4.037 1.00 1.00 N ATOM 193 CA GLY A 13 15.947 21.285 -3.307 1.00 1.00 C ATOM 194 C GLY A 13 14.615 20.645 -3.621 1.00 1.00 C ATOM 195 O GLY A 13 14.528 19.422 -3.743 1.00 1.00 O ATOM 0 H GLY A 13 16.042 22.429 -5.049 1.00 1.00 H new ATOM 0 HA2 GLY A 13 16.750 20.589 -3.549 1.00 1.00 H new ATOM 0 HA3 GLY A 13 16.010 21.485 -2.237 1.00 1.00 H new ATOM 199 N ASN A 14 13.581 21.486 -3.748 1.00 1.00 N ATOM 200 CA ASN A 14 12.209 21.034 -4.021 1.00 1.00 C ATOM 201 C ASN A 14 11.684 20.214 -2.846 1.00 1.00 C ATOM 202 O ASN A 14 10.663 19.527 -2.930 1.00 1.00 O ATOM 203 CB ASN A 14 12.145 20.218 -5.317 1.00 1.00 C ATOM 204 CG ASN A 14 10.725 19.872 -5.714 1.00 1.00 C ATOM 205 OD1 ASN A 14 10.457 18.810 -6.265 1.00 1.00 O ATOM 206 ND2 ASN A 14 9.805 20.779 -5.451 1.00 1.00 N ATOM 0 H ASN A 14 13.671 22.499 -3.665 1.00 1.00 H new ATOM 0 HA ASN A 14 11.577 21.913 -4.148 1.00 1.00 H new ATOM 0 HB2 ASN A 14 12.617 20.782 -6.122 1.00 1.00 H new ATOM 0 HB3 ASN A 14 12.718 19.299 -5.193 1.00 1.00 H new ATOM 0 HD21 ASN A 14 8.833 20.608 -5.707 1.00 1.00 H new ATOM 0 HD22 ASN A 14 10.066 21.651 -4.991 1.00 1.00 H new ATOM 213 N ILE A 15 12.332 20.383 -1.715 1.00 1.00 N ATOM 214 CA ILE A 15 11.997 19.638 -0.529 1.00 1.00 C ATOM 215 C ILE A 15 11.942 20.568 0.675 1.00 1.00 C ATOM 216 O ILE A 15 12.703 20.410 1.622 1.00 1.00 O ATOM 217 CB ILE A 15 12.990 18.477 -0.282 1.00 1.00 C ATOM 218 CG1 ILE A 15 14.432 18.989 -0.244 1.00 1.00 C ATOM 219 CG2 ILE A 15 12.834 17.415 -1.359 1.00 1.00 C ATOM 220 CD1 ILE A 15 15.188 18.520 0.974 1.00 1.00 C ATOM 0 H ILE A 15 13.103 21.040 -1.595 1.00 1.00 H new ATOM 0 HA ILE A 15 11.013 19.194 -0.678 1.00 1.00 H new ATOM 0 HB ILE A 15 12.763 18.033 0.687 1.00 1.00 H new ATOM 0 HG12 ILE A 15 14.955 18.656 -1.141 1.00 1.00 H new ATOM 0 HG13 ILE A 15 14.426 20.079 -0.265 1.00 1.00 H new ATOM 0 HG21 ILE A 15 13.538 16.603 -1.174 1.00 1.00 H new ATOM 0 HG22 ILE A 15 11.817 17.024 -1.340 1.00 1.00 H new ATOM 0 HG23 ILE A 15 13.036 17.855 -2.336 1.00 1.00 H new ATOM 0 HD11 ILE A 15 16.204 18.914 0.946 1.00 1.00 H new ATOM 0 HD12 ILE A 15 14.685 18.876 1.873 1.00 1.00 H new ATOM 0 HD13 ILE A 15 15.222 17.431 0.984 1.00 1.00 H new ATOM 232 N CYS A 16 11.237 21.677 0.502 1.00 1.00 N ATOM 233 CA CYS A 16 10.992 22.602 1.598 1.00 1.00 C ATOM 234 C CYS A 16 9.761 23.474 1.332 1.00 1.00 C ATOM 235 O CYS A 16 8.638 23.017 1.511 1.00 1.00 O ATOM 236 CB CYS A 16 12.227 23.459 1.866 1.00 1.00 C ATOM 237 SG CYS A 16 12.986 24.159 0.375 1.00 1.00 S ATOM 0 H CYS A 16 10.825 21.958 -0.388 1.00 1.00 H new ATOM 0 HA CYS A 16 10.785 22.013 2.492 1.00 1.00 H new ATOM 0 HB2 CYS A 16 11.952 24.273 2.536 1.00 1.00 H new ATOM 0 HB3 CYS A 16 12.969 22.854 2.388 1.00 1.00 H new ATOM 0 HG CYS A 16 14.022 24.870 0.708 1.00 1.00 H new ATOM 243 N ARG A 17 9.964 24.630 0.699 1.00 1.00 N ATOM 244 CA ARG A 17 8.866 25.568 0.451 1.00 1.00 C ATOM 245 C ARG A 17 7.908 25.028 -0.604 1.00 1.00 C ATOM 246 O ARG A 17 6.687 25.102 -0.450 1.00 1.00 O ATOM 247 CB ARG A 17 9.404 26.926 -0.005 1.00 1.00 C ATOM 248 CG ARG A 17 10.408 27.561 0.940 1.00 1.00 C ATOM 249 CD ARG A 17 11.677 27.920 0.190 1.00 1.00 C ATOM 250 NE ARG A 17 12.596 28.741 0.976 1.00 1.00 N ATOM 251 CZ ARG A 17 13.250 29.799 0.479 1.00 1.00 C ATOM 252 NH1 ARG A 17 13.037 30.198 -0.770 1.00 1.00 N ATOM 253 NH2 ARG A 17 14.106 30.470 1.228 1.00 1.00 N ATOM 0 H ARG A 17 10.871 24.939 0.350 1.00 1.00 H new ATOM 0 HA ARG A 17 8.326 25.690 1.390 1.00 1.00 H new ATOM 0 HB2 ARG A 17 9.871 26.807 -0.983 1.00 1.00 H new ATOM 0 HB3 ARG A 17 8.565 27.609 -0.134 1.00 1.00 H new ATOM 0 HG2 ARG A 17 9.978 28.455 1.392 1.00 1.00 H new ATOM 0 HG3 ARG A 17 10.639 26.873 1.753 1.00 1.00 H new ATOM 0 HD2 ARG A 17 12.185 27.004 -0.111 1.00 1.00 H new ATOM 0 HD3 ARG A 17 11.413 28.453 -0.723 1.00 1.00 H new ATOM 0 HE ARG A 17 12.747 28.495 1.954 1.00 1.00 H new ATOM 0 HH11 ARG A 17 12.371 29.698 -1.359 1.00 1.00 H new ATOM 0 HH12 ARG A 17 13.539 31.005 -1.140 1.00 1.00 H new ATOM 0 HH21 ARG A 17 14.273 30.184 2.193 1.00 1.00 H new ATOM 0 HH22 ARG A 17 14.600 31.275 0.842 1.00 1.00 H new ATOM 267 N SER A 18 8.475 24.491 -1.677 1.00 1.00 N ATOM 268 CA SER A 18 7.693 23.945 -2.777 1.00 1.00 C ATOM 269 C SER A 18 6.680 22.891 -2.292 1.00 1.00 C ATOM 270 O SER A 18 5.476 23.082 -2.451 1.00 1.00 O ATOM 271 CB SER A 18 8.629 23.353 -3.837 1.00 1.00 C ATOM 272 OG SER A 18 9.632 24.286 -4.212 1.00 1.00 O ATOM 0 H SER A 18 9.484 24.422 -1.808 1.00 1.00 H new ATOM 0 HA SER A 18 7.120 24.759 -3.221 1.00 1.00 H new ATOM 0 HB2 SER A 18 9.097 22.448 -3.449 1.00 1.00 H new ATOM 0 HB3 SER A 18 8.052 23.062 -4.715 1.00 1.00 H new ATOM 0 HG SER A 18 10.217 23.884 -4.888 1.00 1.00 H new ATOM 278 N PRO A 19 7.131 21.800 -1.628 1.00 1.00 N ATOM 279 CA PRO A 19 6.218 20.755 -1.154 1.00 1.00 C ATOM 280 C PRO A 19 5.243 21.263 -0.096 1.00 1.00 C ATOM 281 O PRO A 19 4.167 20.698 0.079 1.00 1.00 O ATOM 282 CB PRO A 19 7.146 19.689 -0.565 1.00 1.00 C ATOM 283 CG PRO A 19 8.411 20.407 -0.251 1.00 1.00 C ATOM 284 CD PRO A 19 8.531 21.517 -1.254 1.00 1.00 C ATOM 0 HA PRO A 19 5.588 20.381 -1.961 1.00 1.00 H new ATOM 0 HB2 PRO A 19 6.714 19.241 0.330 1.00 1.00 H new ATOM 0 HB3 PRO A 19 7.318 18.880 -1.275 1.00 1.00 H new ATOM 0 HG2 PRO A 19 8.391 20.802 0.765 1.00 1.00 H new ATOM 0 HG3 PRO A 19 9.265 19.733 -0.314 1.00 1.00 H new ATOM 0 HD2 PRO A 19 9.017 22.394 -0.825 1.00 1.00 H new ATOM 0 HD3 PRO A 19 9.123 21.215 -2.118 1.00 1.00 H new ATOM 292 N MET A 20 5.616 22.324 0.611 1.00 1.00 N ATOM 293 CA MET A 20 4.737 22.896 1.622 1.00 1.00 C ATOM 294 C MET A 20 3.444 23.399 0.987 1.00 1.00 C ATOM 295 O MET A 20 2.363 22.916 1.310 1.00 1.00 O ATOM 296 CB MET A 20 5.411 24.046 2.364 1.00 1.00 C ATOM 297 CG MET A 20 6.492 23.623 3.338 1.00 1.00 C ATOM 298 SD MET A 20 6.932 24.927 4.495 1.00 1.00 S ATOM 299 CE MET A 20 5.386 25.118 5.375 1.00 1.00 C ATOM 0 H MET A 20 6.511 22.801 0.504 1.00 1.00 H new ATOM 0 HA MET A 20 4.510 22.105 2.337 1.00 1.00 H new ATOM 0 HB2 MET A 20 5.846 24.727 1.633 1.00 1.00 H new ATOM 0 HB3 MET A 20 4.650 24.606 2.908 1.00 1.00 H new ATOM 0 HG2 MET A 20 6.153 22.749 3.894 1.00 1.00 H new ATOM 0 HG3 MET A 20 7.379 23.322 2.781 1.00 1.00 H new ATOM 0 HE1 MET A 20 5.567 25.624 6.323 1.00 1.00 H new ATOM 0 HE2 MET A 20 4.696 25.710 4.774 1.00 1.00 H new ATOM 0 HE3 MET A 20 4.952 24.136 5.565 1.00 1.00 H new ATOM 309 N ALA A 21 3.580 24.248 -0.028 1.00 1.00 N ATOM 310 CA ALA A 21 2.412 24.829 -0.686 1.00 1.00 C ATOM 311 C ALA A 21 1.742 23.806 -1.575 1.00 1.00 C ATOM 312 O ALA A 21 0.533 23.865 -1.797 1.00 1.00 O ATOM 313 CB ALA A 21 2.789 26.053 -1.499 1.00 1.00 C ATOM 0 H ALA A 21 4.477 24.547 -0.410 1.00 1.00 H new ATOM 0 HA ALA A 21 1.714 25.138 0.092 1.00 1.00 H new ATOM 0 HB1 ALA A 21 1.898 26.462 -1.976 1.00 1.00 H new ATOM 0 HB2 ALA A 21 3.227 26.805 -0.843 1.00 1.00 H new ATOM 0 HB3 ALA A 21 3.514 25.773 -2.264 1.00 1.00 H new ATOM 319 N GLU A 22 2.533 22.849 -2.030 1.00 1.00 N ATOM 320 CA GLU A 22 2.048 21.788 -2.891 1.00 1.00 C ATOM 321 C GLU A 22 0.853 21.103 -2.233 1.00 1.00 C ATOM 322 O GLU A 22 -0.259 21.184 -2.724 1.00 1.00 O ATOM 323 CB GLU A 22 3.182 20.785 -3.127 1.00 1.00 C ATOM 324 CG GLU A 22 3.103 20.012 -4.432 1.00 1.00 C ATOM 325 CD GLU A 22 4.155 18.922 -4.507 1.00 1.00 C ATOM 326 OE1 GLU A 22 4.207 18.070 -3.593 1.00 1.00 O ATOM 327 OE2 GLU A 22 4.951 18.917 -5.470 1.00 1.00 O ATOM 0 H GLU A 22 3.528 22.787 -1.812 1.00 1.00 H new ATOM 0 HA GLU A 22 1.727 22.197 -3.849 1.00 1.00 H new ATOM 0 HB2 GLU A 22 4.131 21.321 -3.098 1.00 1.00 H new ATOM 0 HB3 GLU A 22 3.193 20.073 -2.302 1.00 1.00 H new ATOM 0 HG2 GLU A 22 2.112 19.568 -4.532 1.00 1.00 H new ATOM 0 HG3 GLU A 22 3.231 20.698 -5.269 1.00 1.00 H new ATOM 334 N LYS A 23 1.039 20.706 -0.985 1.00 1.00 N ATOM 335 CA LYS A 23 -0.002 19.986 -0.263 1.00 1.00 C ATOM 336 C LYS A 23 -1.035 20.952 0.279 1.00 1.00 C ATOM 337 O LYS A 23 -2.202 20.615 0.374 1.00 1.00 O ATOM 338 CB LYS A 23 0.572 19.186 0.903 1.00 1.00 C ATOM 339 CG LYS A 23 2.048 18.915 0.774 1.00 1.00 C ATOM 340 CD LYS A 23 2.344 17.488 0.383 1.00 1.00 C ATOM 341 CE LYS A 23 3.832 17.309 0.164 1.00 1.00 C ATOM 342 NZ LYS A 23 4.613 17.694 1.370 1.00 1.00 N ATOM 0 H LYS A 23 1.894 20.867 -0.452 1.00 1.00 H new ATOM 0 HA LYS A 23 -0.464 19.299 -0.972 1.00 1.00 H new ATOM 0 HB2 LYS A 23 0.390 19.728 1.831 1.00 1.00 H new ATOM 0 HB3 LYS A 23 0.041 18.237 0.979 1.00 1.00 H new ATOM 0 HG2 LYS A 23 2.473 19.588 0.029 1.00 1.00 H new ATOM 0 HG3 LYS A 23 2.539 19.137 1.722 1.00 1.00 H new ATOM 0 HD2 LYS A 23 1.999 16.809 1.163 1.00 1.00 H new ATOM 0 HD3 LYS A 23 1.801 17.231 -0.526 1.00 1.00 H new ATOM 0 HE2 LYS A 23 4.041 16.269 -0.089 1.00 1.00 H new ATOM 0 HE3 LYS A 23 4.151 17.914 -0.685 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 5.084 18.606 1.202 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 3.973 17.780 2.185 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 5.329 16.966 1.567 1.00 1.00 H new ATOM 356 N MET A 24 -0.596 22.159 0.607 1.00 1.00 N ATOM 357 CA MET A 24 -1.461 23.153 1.223 1.00 1.00 C ATOM 358 C MET A 24 -2.646 23.531 0.347 1.00 1.00 C ATOM 359 O MET A 24 -3.774 23.081 0.570 1.00 1.00 O ATOM 360 CB MET A 24 -0.651 24.394 1.569 1.00 1.00 C ATOM 361 CG MET A 24 0.193 24.206 2.810 1.00 1.00 C ATOM 362 SD MET A 24 -0.489 25.039 4.245 1.00 1.00 S ATOM 363 CE MET A 24 0.029 26.720 3.911 1.00 1.00 C ATOM 0 H MET A 24 0.362 22.474 0.455 1.00 1.00 H new ATOM 0 HA MET A 24 -1.870 22.706 2.129 1.00 1.00 H new ATOM 0 HB2 MET A 24 -0.005 24.648 0.729 1.00 1.00 H new ATOM 0 HB3 MET A 24 -1.327 25.236 1.717 1.00 1.00 H new ATOM 0 HG2 MET A 24 0.286 23.141 3.023 1.00 1.00 H new ATOM 0 HG3 MET A 24 1.198 24.582 2.621 1.00 1.00 H new ATOM 0 HE1 MET A 24 0.335 27.198 4.842 1.00 1.00 H new ATOM 0 HE2 MET A 24 0.868 26.711 3.215 1.00 1.00 H new ATOM 0 HE3 MET A 24 -0.800 27.276 3.473 1.00 1.00 H new ATOM 373 N PHE A 25 -2.398 24.324 -0.680 1.00 1.00 N ATOM 374 CA PHE A 25 -3.490 24.811 -1.492 1.00 1.00 C ATOM 375 C PHE A 25 -3.982 23.750 -2.457 1.00 1.00 C ATOM 376 O PHE A 25 -5.163 23.726 -2.777 1.00 1.00 O ATOM 377 CB PHE A 25 -3.110 26.100 -2.222 1.00 1.00 C ATOM 378 CG PHE A 25 -2.239 25.930 -3.420 1.00 1.00 C ATOM 379 CD1 PHE A 25 -2.787 25.684 -4.666 1.00 1.00 C ATOM 380 CD2 PHE A 25 -0.876 26.054 -3.302 1.00 1.00 C ATOM 381 CE1 PHE A 25 -1.980 25.557 -5.775 1.00 1.00 C ATOM 382 CE2 PHE A 25 -0.067 25.940 -4.401 1.00 1.00 C ATOM 383 CZ PHE A 25 -0.616 25.691 -5.640 1.00 1.00 C ATOM 0 H PHE A 25 -1.470 24.637 -0.965 1.00 1.00 H new ATOM 0 HA PHE A 25 -4.316 25.047 -0.821 1.00 1.00 H new ATOM 0 HB2 PHE A 25 -4.025 26.605 -2.530 1.00 1.00 H new ATOM 0 HB3 PHE A 25 -2.603 26.759 -1.517 1.00 1.00 H new ATOM 0 HD1 PHE A 25 -3.858 25.591 -4.770 1.00 1.00 H new ATOM 0 HD2 PHE A 25 -0.438 26.243 -2.333 1.00 1.00 H new ATOM 0 HE1 PHE A 25 -2.414 25.354 -6.743 1.00 1.00 H new ATOM 0 HE2 PHE A 25 1.003 26.045 -4.296 1.00 1.00 H new ATOM 0 HZ PHE A 25 0.024 25.601 -6.506 1.00 1.00 H new ATOM 393 N ALA A 26 -3.099 22.860 -2.911 1.00 1.00 N ATOM 394 CA ALA A 26 -3.548 21.825 -3.842 1.00 1.00 C ATOM 395 C ALA A 26 -4.580 20.920 -3.182 1.00 1.00 C ATOM 396 O ALA A 26 -5.559 20.519 -3.818 1.00 1.00 O ATOM 397 CB ALA A 26 -2.396 21.018 -4.385 1.00 1.00 C ATOM 0 H ALA A 26 -2.110 22.832 -2.663 1.00 1.00 H new ATOM 0 HA ALA A 26 -4.017 22.328 -4.688 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -2.774 20.261 -5.072 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -1.708 21.677 -4.914 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -1.872 20.532 -3.562 1.00 1.00 H new ATOM 403 N GLN A 27 -4.375 20.618 -1.894 1.00 1.00 N ATOM 404 CA GLN A 27 -5.329 19.804 -1.151 1.00 1.00 C ATOM 405 C GLN A 27 -6.645 20.568 -1.032 1.00 1.00 C ATOM 406 O GLN A 27 -7.722 19.993 -1.167 1.00 1.00 O ATOM 407 CB GLN A 27 -4.778 19.391 0.226 1.00 1.00 C ATOM 408 CG GLN A 27 -5.204 20.276 1.387 1.00 1.00 C ATOM 409 CD GLN A 27 -6.125 19.561 2.357 1.00 1.00 C ATOM 410 OE1 GLN A 27 -5.958 18.255 2.483 1.00 1.00 O flip ATOM 411 NE2 GLN A 27 -6.984 20.178 2.981 1.00 1.00 N flip ATOM 0 H GLN A 27 -3.565 20.924 -1.355 1.00 1.00 H new ATOM 0 HA GLN A 27 -5.505 18.876 -1.694 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -5.094 18.369 0.434 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -3.689 19.384 0.176 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -4.318 20.621 1.920 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -5.708 21.161 0.999 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -7.080 21.186 2.855 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -7.601 19.683 3.625 1.00 1.00 H new ATOM 420 N GLN A 28 -6.547 21.876 -0.795 1.00 1.00 N ATOM 421 CA GLN A 28 -7.725 22.733 -0.740 1.00 1.00 C ATOM 422 C GLN A 28 -8.456 22.730 -2.073 1.00 1.00 C ATOM 423 O GLN A 28 -9.679 22.692 -2.108 1.00 1.00 O ATOM 424 CB GLN A 28 -7.341 24.154 -0.347 1.00 1.00 C ATOM 425 CG GLN A 28 -6.753 24.235 1.047 1.00 1.00 C ATOM 426 CD GLN A 28 -6.414 25.646 1.465 1.00 1.00 C ATOM 427 OE1 GLN A 28 -5.172 26.035 1.261 1.00 1.00 O flip ATOM 428 NE2 GLN A 28 -7.255 26.374 1.987 1.00 1.00 N flip ATOM 0 H GLN A 28 -5.664 22.362 -0.639 1.00 1.00 H new ATOM 0 HA GLN A 28 -8.396 22.336 0.021 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -6.619 24.543 -1.065 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -8.222 24.793 -0.403 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -7.461 23.812 1.759 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -5.852 23.623 1.091 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -8.207 26.035 2.127 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -7.001 27.318 2.280 1.00 1.00 H new ATOM 437 N LEU A 29 -7.694 22.759 -3.163 1.00 1.00 N ATOM 438 CA LEU A 29 -8.267 22.738 -4.510 1.00 1.00 C ATOM 439 C LEU A 29 -9.151 21.513 -4.698 1.00 1.00 C ATOM 440 O LEU A 29 -10.306 21.625 -5.094 1.00 1.00 O ATOM 441 CB LEU A 29 -7.171 22.738 -5.578 1.00 1.00 C ATOM 442 CG LEU A 29 -6.211 23.926 -5.533 1.00 1.00 C ATOM 443 CD1 LEU A 29 -5.168 23.809 -6.634 1.00 1.00 C ATOM 444 CD2 LEU A 29 -6.969 25.243 -5.650 1.00 1.00 C ATOM 0 H LEU A 29 -6.675 22.797 -3.142 1.00 1.00 H new ATOM 0 HA LEU A 29 -8.868 23.640 -4.623 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -6.591 21.820 -5.479 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -7.644 22.712 -6.560 1.00 1.00 H new ATOM 0 HG LEU A 29 -5.701 23.915 -4.570 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -4.492 24.663 -6.588 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -4.599 22.889 -6.500 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -5.664 23.791 -7.605 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -6.264 26.073 -5.615 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -7.512 25.268 -6.595 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -7.674 25.332 -4.824 1.00 1.00 H new ATOM 456 N ARG A 30 -8.585 20.337 -4.507 1.00 1.00 N ATOM 457 CA ARG A 30 -9.367 19.112 -4.624 1.00 1.00 C ATOM 458 C ARG A 30 -10.525 19.097 -3.618 1.00 1.00 C ATOM 459 O ARG A 30 -11.576 18.524 -3.892 1.00 1.00 O ATOM 460 CB ARG A 30 -8.483 17.866 -4.487 1.00 1.00 C ATOM 461 CG ARG A 30 -7.609 17.849 -3.247 1.00 1.00 C ATOM 462 CD ARG A 30 -6.169 17.484 -3.581 1.00 1.00 C ATOM 463 NE ARG A 30 -6.051 16.135 -4.135 1.00 1.00 N ATOM 464 CZ ARG A 30 -4.924 15.616 -4.626 1.00 1.00 C ATOM 465 NH1 ARG A 30 -3.813 16.345 -4.690 1.00 1.00 N ATOM 466 NH2 ARG A 30 -4.913 14.360 -5.061 1.00 1.00 N ATOM 0 H ARG A 30 -7.602 20.199 -4.273 1.00 1.00 H new ATOM 0 HA ARG A 30 -9.800 19.090 -5.624 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -9.121 16.982 -4.479 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -7.845 17.790 -5.367 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -7.635 18.828 -2.769 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -8.009 17.133 -2.529 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -5.771 18.204 -4.296 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -5.560 17.559 -2.680 1.00 1.00 H new ATOM 0 HE ARG A 30 -6.887 15.551 -4.147 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -3.817 17.311 -4.362 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -2.957 15.938 -5.067 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -5.763 13.798 -5.019 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -4.054 13.958 -5.437 1.00 1.00 H new ATOM 480 N HIS A 31 -10.319 19.713 -2.452 1.00 1.00 N ATOM 481 CA HIS A 31 -11.380 19.843 -1.447 1.00 1.00 C ATOM 482 C HIS A 31 -12.564 20.662 -1.967 1.00 1.00 C ATOM 483 O HIS A 31 -13.713 20.385 -1.629 1.00 1.00 O ATOM 484 CB HIS A 31 -10.844 20.471 -0.159 1.00 1.00 C ATOM 485 CG HIS A 31 -10.490 19.474 0.902 1.00 1.00 C ATOM 486 ND1 HIS A 31 -11.202 19.346 2.076 1.00 1.00 N ATOM 487 CD2 HIS A 31 -9.496 18.559 0.968 1.00 1.00 C ATOM 488 CE1 HIS A 31 -10.662 18.398 2.816 1.00 1.00 C ATOM 489 NE2 HIS A 31 -9.625 17.905 2.167 1.00 1.00 N ATOM 0 H HIS A 31 -9.429 20.130 -2.179 1.00 1.00 H new ATOM 0 HA HIS A 31 -11.733 18.834 -1.232 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -9.960 21.064 -0.396 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -11.592 21.158 0.237 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -8.742 18.377 0.217 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -11.009 18.079 3.788 1.00 1.00 H new ATOM 0 HE2 HIS A 31 -9.017 17.158 2.503 1.00 1.00 H new ATOM 498 N ARG A 32 -12.276 21.641 -2.822 1.00 1.00 N ATOM 499 CA ARG A 32 -13.336 22.483 -3.368 1.00 1.00 C ATOM 500 C ARG A 32 -13.833 21.896 -4.677 1.00 1.00 C ATOM 501 O ARG A 32 -14.892 22.257 -5.184 1.00 1.00 O ATOM 502 CB ARG A 32 -12.861 23.929 -3.532 1.00 1.00 C ATOM 503 CG ARG A 32 -11.433 24.060 -4.013 1.00 1.00 C ATOM 504 CD ARG A 32 -10.874 25.440 -3.736 1.00 1.00 C ATOM 505 NE ARG A 32 -11.000 25.816 -2.327 1.00 1.00 N ATOM 506 CZ ARG A 32 -11.453 27.001 -1.911 1.00 1.00 C ATOM 507 NH1 ARG A 32 -11.768 27.943 -2.794 1.00 1.00 N ATOM 508 NH2 ARG A 32 -11.562 27.247 -0.613 1.00 1.00 N ATOM 0 H ARG A 32 -11.336 21.868 -3.146 1.00 1.00 H new ATOM 0 HA ARG A 32 -14.171 22.505 -2.667 1.00 1.00 H new ATOM 0 HB2 ARG A 32 -13.518 24.438 -4.237 1.00 1.00 H new ATOM 0 HB3 ARG A 32 -12.959 24.443 -2.576 1.00 1.00 H new ATOM 0 HG2 ARG A 32 -10.813 23.311 -3.521 1.00 1.00 H new ATOM 0 HG3 ARG A 32 -11.389 23.857 -5.083 1.00 1.00 H new ATOM 0 HD2 ARG A 32 -9.824 25.469 -4.025 1.00 1.00 H new ATOM 0 HD3 ARG A 32 -11.395 26.172 -4.353 1.00 1.00 H new ATOM 0 HE ARG A 32 -10.726 25.132 -1.621 1.00 1.00 H new ATOM 0 HH11 ARG A 32 -11.664 27.762 -3.792 1.00 1.00 H new ATOM 0 HH12 ARG A 32 -12.114 28.847 -2.473 1.00 1.00 H new ATOM 0 HH21 ARG A 32 -11.300 26.532 0.065 1.00 1.00 H new ATOM 0 HH22 ARG A 32 -11.908 28.152 -0.293 1.00 1.00 H new ATOM 522 N GLY A 33 -13.021 21.014 -5.236 1.00 1.00 N ATOM 523 CA GLY A 33 -13.391 20.329 -6.449 1.00 1.00 C ATOM 524 C GLY A 33 -12.736 20.951 -7.654 1.00 1.00 C ATOM 525 O GLY A 33 -13.294 20.946 -8.746 1.00 1.00 O ATOM 0 H GLY A 33 -12.105 20.761 -4.865 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -13.104 19.280 -6.378 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -14.474 20.356 -6.568 1.00 1.00 H new ATOM 529 N LEU A 34 -11.523 21.455 -7.467 1.00 1.00 N ATOM 530 CA LEU A 34 -10.798 22.122 -8.530 1.00 1.00 C ATOM 531 C LEU A 34 -9.455 21.439 -8.737 1.00 1.00 C ATOM 532 O LEU A 34 -8.685 21.817 -9.610 1.00 1.00 O ATOM 533 CB LEU A 34 -10.586 23.590 -8.155 1.00 1.00 C ATOM 534 CG LEU A 34 -11.845 24.324 -7.694 1.00 1.00 C ATOM 535 CD1 LEU A 34 -11.500 25.711 -7.188 1.00 1.00 C ATOM 536 CD2 LEU A 34 -12.863 24.398 -8.817 1.00 1.00 C ATOM 0 H LEU A 34 -11.021 21.412 -6.580 1.00 1.00 H new ATOM 0 HA LEU A 34 -11.371 22.067 -9.456 1.00 1.00 H new ATOM 0 HB2 LEU A 34 -9.841 23.643 -7.361 1.00 1.00 H new ATOM 0 HB3 LEU A 34 -10.172 24.114 -9.017 1.00 1.00 H new ATOM 0 HG LEU A 34 -12.287 23.762 -6.871 1.00 1.00 H new ATOM 0 HD11 LEU A 34 -12.410 26.217 -6.865 1.00 1.00 H new ATOM 0 HD12 LEU A 34 -10.811 25.631 -6.347 1.00 1.00 H new ATOM 0 HD13 LEU A 34 -11.031 26.284 -7.988 1.00 1.00 H new ATOM 0 HD21 LEU A 34 -13.752 24.924 -8.468 1.00 1.00 H new ATOM 0 HD22 LEU A 34 -12.433 24.934 -9.663 1.00 1.00 H new ATOM 0 HD23 LEU A 34 -13.137 23.389 -9.127 1.00 1.00 H new ATOM 548 N GLY A 35 -9.195 20.411 -7.931 1.00 1.00 N ATOM 549 CA GLY A 35 -7.947 19.666 -8.029 1.00 1.00 C ATOM 550 C GLY A 35 -7.738 19.065 -9.402 1.00 1.00 C ATOM 551 O GLY A 35 -6.611 18.819 -9.819 1.00 1.00 O ATOM 0 H GLY A 35 -9.831 20.078 -7.206 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -7.113 20.328 -7.795 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -7.942 18.871 -7.283 1.00 1.00 H new ATOM 555 N ASP A 36 -8.835 18.788 -10.088 1.00 1.00 N ATOM 556 CA ASP A 36 -8.766 18.258 -11.437 1.00 1.00 C ATOM 557 C ASP A 36 -8.660 19.392 -12.424 1.00 1.00 C ATOM 558 O ASP A 36 -8.148 19.227 -13.522 1.00 1.00 O ATOM 559 CB ASP A 36 -10.018 17.475 -11.770 1.00 1.00 C ATOM 560 CG ASP A 36 -9.719 16.126 -12.381 1.00 1.00 C ATOM 561 OD1 ASP A 36 -8.689 15.997 -13.083 1.00 1.00 O ATOM 562 OD2 ASP A 36 -10.516 15.195 -12.174 1.00 1.00 O ATOM 0 H ASP A 36 -9.782 18.922 -9.732 1.00 1.00 H new ATOM 0 HA ASP A 36 -7.894 17.607 -11.496 1.00 1.00 H new ATOM 0 HB2 ASP A 36 -10.606 17.336 -10.863 1.00 1.00 H new ATOM 0 HB3 ASP A 36 -10.630 18.054 -12.461 1.00 1.00 H new ATOM 567 N ALA A 37 -9.167 20.539 -12.016 1.00 1.00 N ATOM 568 CA ALA A 37 -9.212 21.700 -12.890 1.00 1.00 C ATOM 569 C ALA A 37 -7.851 22.384 -12.975 1.00 1.00 C ATOM 570 O ALA A 37 -7.562 23.112 -13.926 1.00 1.00 O ATOM 571 CB ALA A 37 -10.276 22.680 -12.414 1.00 1.00 C ATOM 0 H ALA A 37 -9.554 20.694 -11.085 1.00 1.00 H new ATOM 0 HA ALA A 37 -9.474 21.358 -13.891 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -10.298 23.544 -13.078 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -11.250 22.191 -12.422 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -10.042 23.007 -11.401 1.00 1.00 H new ATOM 577 N VAL A 38 -7.018 22.145 -11.977 1.00 1.00 N ATOM 578 CA VAL A 38 -5.687 22.729 -11.933 1.00 1.00 C ATOM 579 C VAL A 38 -4.702 21.753 -11.318 1.00 1.00 C ATOM 580 O VAL A 38 -4.943 21.191 -10.249 1.00 1.00 O ATOM 581 CB VAL A 38 -5.681 24.067 -11.145 1.00 1.00 C ATOM 582 CG1 VAL A 38 -6.558 23.957 -9.915 1.00 1.00 C ATOM 583 CG2 VAL A 38 -4.270 24.478 -10.747 1.00 1.00 C ATOM 0 H VAL A 38 -7.241 21.547 -11.181 1.00 1.00 H new ATOM 0 HA VAL A 38 -5.383 22.942 -12.958 1.00 1.00 H new ATOM 0 HB VAL A 38 -6.081 24.839 -11.803 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -6.544 24.902 -9.373 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -7.580 23.726 -10.216 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -6.182 23.163 -9.270 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -4.306 25.419 -10.198 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -3.831 23.706 -10.116 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -3.662 24.604 -11.643 1.00 1.00 H new ATOM 593 N ARG A 39 -3.621 21.507 -12.038 1.00 1.00 N ATOM 594 CA ARG A 39 -2.595 20.601 -11.577 1.00 1.00 C ATOM 595 C ARG A 39 -1.561 21.369 -10.776 1.00 1.00 C ATOM 596 O ARG A 39 -1.207 22.502 -11.123 1.00 1.00 O ATOM 597 CB ARG A 39 -1.930 19.894 -12.756 1.00 1.00 C ATOM 598 CG ARG A 39 -2.911 19.154 -13.647 1.00 1.00 C ATOM 599 CD ARG A 39 -3.659 18.091 -12.862 1.00 1.00 C ATOM 600 NE ARG A 39 -4.017 16.937 -13.685 1.00 1.00 N ATOM 601 CZ ARG A 39 -5.170 16.275 -13.580 1.00 1.00 C ATOM 602 NH1 ARG A 39 -6.118 16.716 -12.761 1.00 1.00 N ATOM 603 NH2 ARG A 39 -5.374 15.176 -14.299 1.00 1.00 N ATOM 0 H ARG A 39 -3.435 21.927 -12.949 1.00 1.00 H new ATOM 0 HA ARG A 39 -3.054 19.844 -10.941 1.00 1.00 H new ATOM 0 HB2 ARG A 39 -1.391 20.629 -13.354 1.00 1.00 H new ATOM 0 HB3 ARG A 39 -1.191 19.188 -12.377 1.00 1.00 H new ATOM 0 HG2 ARG A 39 -3.621 19.860 -14.079 1.00 1.00 H new ATOM 0 HG3 ARG A 39 -2.377 18.691 -14.477 1.00 1.00 H new ATOM 0 HD2 ARG A 39 -3.043 17.760 -12.026 1.00 1.00 H new ATOM 0 HD3 ARG A 39 -4.564 18.526 -12.438 1.00 1.00 H new ATOM 0 HE ARG A 39 -3.344 16.619 -14.382 1.00 1.00 H new ATOM 0 HH11 ARG A 39 -5.965 17.562 -12.212 1.00 1.00 H new ATOM 0 HH12 ARG A 39 -7.000 16.209 -12.681 1.00 1.00 H new ATOM 0 HH21 ARG A 39 -4.649 14.838 -14.932 1.00 1.00 H new ATOM 0 HH22 ARG A 39 -6.256 14.670 -14.218 1.00 1.00 H new ATOM 617 N VAL A 40 -1.032 20.730 -9.751 1.00 1.00 N ATOM 618 CA VAL A 40 -0.057 21.356 -8.877 1.00 1.00 C ATOM 619 C VAL A 40 1.157 20.447 -8.717 1.00 1.00 C ATOM 620 O VAL A 40 1.032 19.250 -8.447 1.00 1.00 O ATOM 621 CB VAL A 40 -0.673 21.711 -7.502 1.00 1.00 C ATOM 622 CG1 VAL A 40 0.371 22.237 -6.538 1.00 1.00 C ATOM 623 CG2 VAL A 40 -1.777 22.732 -7.670 1.00 1.00 C ATOM 0 H VAL A 40 -1.263 19.769 -9.501 1.00 1.00 H new ATOM 0 HA VAL A 40 0.264 22.291 -9.335 1.00 1.00 H new ATOM 0 HB VAL A 40 -1.086 20.794 -7.082 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -0.101 22.475 -5.585 1.00 1.00 H new ATOM 0 HG12 VAL A 40 1.139 21.479 -6.384 1.00 1.00 H new ATOM 0 HG13 VAL A 40 0.827 23.137 -6.951 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -2.201 22.973 -6.695 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -1.370 23.637 -8.122 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -2.556 22.323 -8.314 1.00 1.00 H new ATOM 633 N THR A 41 2.317 21.032 -8.969 1.00 1.00 N ATOM 634 CA THR A 41 3.582 20.322 -8.960 1.00 1.00 C ATOM 635 C THR A 41 4.678 21.218 -8.405 1.00 1.00 C ATOM 636 O THR A 41 4.423 22.365 -8.031 1.00 1.00 O ATOM 637 CB THR A 41 3.965 19.883 -10.391 1.00 1.00 C ATOM 638 OG1 THR A 41 3.943 21.014 -11.274 1.00 1.00 O ATOM 639 CG2 THR A 41 3.014 18.823 -10.921 1.00 1.00 C ATOM 0 H THR A 41 2.406 22.024 -9.188 1.00 1.00 H new ATOM 0 HA THR A 41 3.475 19.439 -8.330 1.00 1.00 H new ATOM 0 HB THR A 41 4.969 19.460 -10.348 1.00 1.00 H new ATOM 0 HG1 THR A 41 4.188 20.728 -12.179 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.313 18.537 -11.930 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.046 17.948 -10.272 1.00 1.00 H new ATOM 0 HG23 THR A 41 2.000 19.222 -10.942 1.00 1.00 H new ATOM 647 N SER A 42 5.901 20.732 -8.423 1.00 1.00 N ATOM 648 CA SER A 42 7.018 21.508 -7.938 1.00 1.00 C ATOM 649 C SER A 42 8.328 20.936 -8.482 1.00 1.00 C ATOM 650 O SER A 42 8.332 19.853 -9.080 1.00 1.00 O ATOM 651 CB SER A 42 7.008 21.530 -6.405 1.00 1.00 C ATOM 652 OG SER A 42 7.137 20.230 -5.865 1.00 1.00 O ATOM 0 H SER A 42 6.145 19.804 -8.768 1.00 1.00 H new ATOM 0 HA SER A 42 6.930 22.535 -8.291 1.00 1.00 H new ATOM 0 HB2 SER A 42 7.823 22.157 -6.044 1.00 1.00 H new ATOM 0 HB3 SER A 42 6.080 21.980 -6.053 1.00 1.00 H new ATOM 0 HG SER A 42 6.357 19.692 -6.117 1.00 1.00 H new ATOM 658 N ALA A 43 9.418 21.689 -8.346 1.00 1.00 N ATOM 659 CA ALA A 43 10.710 21.254 -8.852 1.00 1.00 C ATOM 660 C ALA A 43 11.852 22.057 -8.244 1.00 1.00 C ATOM 661 O ALA A 43 11.635 23.079 -7.587 1.00 1.00 O ATOM 662 CB ALA A 43 10.749 21.382 -10.365 1.00 1.00 C ATOM 0 H ALA A 43 9.428 22.601 -7.890 1.00 1.00 H new ATOM 0 HA ALA A 43 10.839 20.210 -8.567 1.00 1.00 H new ATOM 0 HB1 ALA A 43 11.721 21.054 -10.733 1.00 1.00 H new ATOM 0 HB2 ALA A 43 9.967 20.762 -10.803 1.00 1.00 H new ATOM 0 HB3 ALA A 43 10.587 22.423 -10.646 1.00 1.00 H new ATOM 668 N GLY A 44 13.062 21.550 -8.429 1.00 1.00 N ATOM 669 CA GLY A 44 14.244 22.215 -7.934 1.00 1.00 C ATOM 670 C GLY A 44 15.246 22.453 -9.039 1.00 1.00 C ATOM 671 O GLY A 44 15.485 21.569 -9.859 1.00 1.00 O ATOM 0 H GLY A 44 13.245 20.676 -8.922 1.00 1.00 H new ATOM 0 HA2 GLY A 44 13.965 23.167 -7.482 1.00 1.00 H new ATOM 0 HA3 GLY A 44 14.701 21.612 -7.150 1.00 1.00 H new ATOM 675 N THR A 45 15.849 23.630 -9.054 1.00 1.00 N ATOM 676 CA THR A 45 16.801 23.990 -10.095 1.00 1.00 C ATOM 677 C THR A 45 18.142 23.270 -9.912 1.00 1.00 C ATOM 678 O THR A 45 18.873 23.059 -10.875 1.00 1.00 O ATOM 679 CB THR A 45 17.021 25.519 -10.110 1.00 1.00 C ATOM 680 OG1 THR A 45 17.289 25.985 -8.778 1.00 1.00 O ATOM 681 CG2 THR A 45 15.796 26.233 -10.663 1.00 1.00 C ATOM 0 H THR A 45 15.696 24.356 -8.354 1.00 1.00 H new ATOM 0 HA THR A 45 16.380 23.674 -11.050 1.00 1.00 H new ATOM 0 HB THR A 45 17.873 25.739 -10.753 1.00 1.00 H new ATOM 0 HG1 THR A 45 17.871 26.773 -8.818 1.00 1.00 H new ATOM 0 HG21 THR A 45 15.972 27.309 -10.665 1.00 1.00 H new ATOM 0 HG22 THR A 45 15.607 25.894 -11.682 1.00 1.00 H new ATOM 0 HG23 THR A 45 14.931 26.008 -10.039 1.00 1.00 H new ATOM 689 N GLY A 46 18.428 22.843 -8.681 1.00 1.00 N ATOM 690 CA GLY A 46 19.688 22.168 -8.403 1.00 1.00 C ATOM 691 C GLY A 46 19.513 20.696 -8.071 1.00 1.00 C ATOM 692 O GLY A 46 20.457 20.048 -7.626 1.00 1.00 O ATOM 0 H GLY A 46 17.813 22.952 -7.875 1.00 1.00 H new ATOM 0 HA2 GLY A 46 20.344 22.264 -9.268 1.00 1.00 H new ATOM 0 HA3 GLY A 46 20.184 22.666 -7.570 1.00 1.00 H new ATOM 696 N ASN A 47 18.284 20.195 -8.247 1.00 1.00 N ATOM 697 CA ASN A 47 17.931 18.773 -8.025 1.00 1.00 C ATOM 698 C ASN A 47 18.546 18.170 -6.748 1.00 1.00 C ATOM 699 O ASN A 47 18.810 16.970 -6.699 1.00 1.00 O ATOM 700 CB ASN A 47 18.300 17.915 -9.253 1.00 1.00 C ATOM 701 CG ASN A 47 19.789 17.816 -9.539 1.00 1.00 C ATOM 702 OD1 ASN A 47 20.341 18.593 -10.317 1.00 1.00 O ATOM 703 ND2 ASN A 47 20.445 16.852 -8.917 1.00 1.00 N ATOM 0 H ASN A 47 17.494 20.764 -8.550 1.00 1.00 H new ATOM 0 HA ASN A 47 16.851 18.758 -7.881 1.00 1.00 H new ATOM 0 HB2 ASN A 47 17.905 16.910 -9.108 1.00 1.00 H new ATOM 0 HB3 ASN A 47 17.803 18.329 -10.130 1.00 1.00 H new ATOM 0 HD21 ASN A 47 21.446 16.732 -9.075 1.00 1.00 H new ATOM 0 HD22 ASN A 47 19.951 16.228 -8.279 1.00 1.00 H new ATOM 710 N TRP A 48 18.622 18.973 -5.685 1.00 1.00 N ATOM 711 CA TRP A 48 19.180 18.537 -4.396 1.00 1.00 C ATOM 712 C TRP A 48 18.636 17.173 -3.951 1.00 1.00 C ATOM 713 O TRP A 48 19.383 16.212 -3.780 1.00 1.00 O ATOM 714 CB TRP A 48 18.864 19.576 -3.316 1.00 1.00 C ATOM 715 CG TRP A 48 20.002 20.486 -2.966 1.00 1.00 C ATOM 716 CD1 TRP A 48 20.827 20.380 -1.884 1.00 1.00 C ATOM 717 CD2 TRP A 48 20.429 21.649 -3.684 1.00 1.00 C ATOM 718 NE1 TRP A 48 21.737 21.406 -1.884 1.00 1.00 N ATOM 719 CE2 TRP A 48 21.517 22.198 -2.979 1.00 1.00 C ATOM 720 CE3 TRP A 48 19.998 22.283 -4.856 1.00 1.00 C ATOM 721 CZ2 TRP A 48 22.180 23.344 -3.408 1.00 1.00 C ATOM 722 CZ3 TRP A 48 20.658 23.421 -5.278 1.00 1.00 C ATOM 723 CH2 TRP A 48 21.737 23.941 -4.555 1.00 1.00 C ATOM 0 H TRP A 48 18.301 19.941 -5.689 1.00 1.00 H new ATOM 0 HA TRP A 48 20.257 18.439 -4.532 1.00 1.00 H new ATOM 0 HB2 TRP A 48 18.022 20.182 -3.651 1.00 1.00 H new ATOM 0 HB3 TRP A 48 18.543 19.055 -2.414 1.00 1.00 H new ATOM 0 HD1 TRP A 48 20.771 19.602 -1.137 1.00 1.00 H new ATOM 0 HE1 TRP A 48 22.461 21.555 -1.181 1.00 1.00 H new ATOM 0 HE3 TRP A 48 19.165 21.890 -5.420 1.00 1.00 H new ATOM 0 HZ2 TRP A 48 23.015 23.747 -2.854 1.00 1.00 H new ATOM 0 HZ3 TRP A 48 20.336 23.918 -6.181 1.00 1.00 H new ATOM 0 HH2 TRP A 48 22.231 24.833 -4.911 1.00 1.00 H new ATOM 734 N HIS A 49 17.342 17.127 -3.697 1.00 1.00 N ATOM 735 CA HIS A 49 16.699 15.891 -3.274 1.00 1.00 C ATOM 736 C HIS A 49 15.757 15.369 -4.339 1.00 1.00 C ATOM 737 O HIS A 49 14.697 14.848 -4.022 1.00 1.00 O ATOM 738 CB HIS A 49 15.935 16.084 -1.963 1.00 1.00 C ATOM 739 CG HIS A 49 16.725 15.740 -0.741 1.00 1.00 C ATOM 740 ND1 HIS A 49 16.469 14.626 0.027 1.00 1.00 N ATOM 741 CD2 HIS A 49 17.756 16.378 -0.141 1.00 1.00 C ATOM 742 CE1 HIS A 49 17.303 14.595 1.046 1.00 1.00 C ATOM 743 NE2 HIS A 49 18.094 15.647 0.968 1.00 1.00 N ATOM 0 H HIS A 49 16.714 17.927 -3.775 1.00 1.00 H new ATOM 0 HA HIS A 49 17.490 15.158 -3.115 1.00 1.00 H new ATOM 0 HB2 HIS A 49 15.611 17.122 -1.893 1.00 1.00 H new ATOM 0 HB3 HIS A 49 15.035 15.470 -1.986 1.00 1.00 H new ATOM 0 HD2 HIS A 49 18.225 17.292 -0.474 1.00 1.00 H new ATOM 0 HE1 HIS A 49 17.334 13.837 1.815 1.00 1.00 H new ATOM 0 HE2 HIS A 49 18.837 15.879 1.627 1.00 1.00 H new ATOM 752 N VAL A 50 16.151 15.477 -5.596 1.00 1.00 N ATOM 753 CA VAL A 50 15.305 14.977 -6.677 1.00 1.00 C ATOM 754 C VAL A 50 15.057 13.470 -6.512 1.00 1.00 C ATOM 755 O VAL A 50 15.992 12.689 -6.310 1.00 1.00 O ATOM 756 CB VAL A 50 15.913 15.277 -8.065 1.00 1.00 C ATOM 757 CG1 VAL A 50 17.240 14.556 -8.262 1.00 1.00 C ATOM 758 CG2 VAL A 50 14.935 14.930 -9.176 1.00 1.00 C ATOM 0 H VAL A 50 17.032 15.896 -5.894 1.00 1.00 H new ATOM 0 HA VAL A 50 14.351 15.500 -6.617 1.00 1.00 H new ATOM 0 HB VAL A 50 16.111 16.348 -8.111 1.00 1.00 H new ATOM 0 HG11 VAL A 50 17.638 14.790 -9.249 1.00 1.00 H new ATOM 0 HG12 VAL A 50 17.947 14.881 -7.499 1.00 1.00 H new ATOM 0 HG13 VAL A 50 17.085 13.480 -8.179 1.00 1.00 H new ATOM 0 HG21 VAL A 50 15.389 15.151 -10.142 1.00 1.00 H new ATOM 0 HG22 VAL A 50 14.688 13.870 -9.125 1.00 1.00 H new ATOM 0 HG23 VAL A 50 14.026 15.520 -9.058 1.00 1.00 H new ATOM 768 N GLY A 51 13.783 13.083 -6.521 1.00 1.00 N ATOM 769 CA GLY A 51 13.413 11.694 -6.321 1.00 1.00 C ATOM 770 C GLY A 51 13.129 11.387 -4.862 1.00 1.00 C ATOM 771 O GLY A 51 12.521 10.366 -4.539 1.00 1.00 O ATOM 0 H GLY A 51 12.995 13.715 -6.665 1.00 1.00 H new ATOM 0 HA2 GLY A 51 12.531 11.464 -6.919 1.00 1.00 H new ATOM 0 HA3 GLY A 51 14.217 11.050 -6.678 1.00 1.00 H new ATOM 775 N SER A 52 13.533 12.302 -3.987 1.00 1.00 N ATOM 776 CA SER A 52 13.336 12.137 -2.558 1.00 1.00 C ATOM 777 C SER A 52 11.906 12.502 -2.185 1.00 1.00 C ATOM 778 O SER A 52 11.035 12.645 -3.043 1.00 1.00 O ATOM 779 CB SER A 52 14.309 13.024 -1.787 1.00 1.00 C ATOM 780 OG SER A 52 14.535 12.552 -0.467 1.00 1.00 O ATOM 0 H SER A 52 14.001 13.170 -4.248 1.00 1.00 H new ATOM 0 HA SER A 52 13.521 11.095 -2.297 1.00 1.00 H new ATOM 0 HB2 SER A 52 15.258 13.070 -2.322 1.00 1.00 H new ATOM 0 HB3 SER A 52 13.917 14.040 -1.745 1.00 1.00 H new ATOM 0 HG SER A 52 15.205 13.116 -0.028 1.00 1.00 H new ATOM 786 N CYS A 53 11.706 12.776 -0.915 1.00 1.00 N ATOM 787 CA CYS A 53 10.406 13.133 -0.408 1.00 1.00 C ATOM 788 C CYS A 53 10.504 14.473 0.304 1.00 1.00 C ATOM 789 O CYS A 53 11.592 15.037 0.417 1.00 1.00 O ATOM 790 CB CYS A 53 9.923 12.040 0.541 1.00 1.00 C ATOM 791 SG CYS A 53 8.221 12.235 1.124 1.00 1.00 S ATOM 0 H CYS A 53 12.441 12.757 -0.208 1.00 1.00 H new ATOM 0 HA CYS A 53 9.688 13.225 -1.223 1.00 1.00 H new ATOM 0 HB2 CYS A 53 10.011 11.077 0.038 1.00 1.00 H new ATOM 0 HB3 CYS A 53 10.587 12.010 1.405 1.00 1.00 H new ATOM 0 HG CYS A 53 7.450 12.535 0.121 1.00 1.00 H new ATOM 797 N ALA A 54 9.371 14.995 0.742 1.00 1.00 N ATOM 798 CA ALA A 54 9.338 16.283 1.419 1.00 1.00 C ATOM 799 C ALA A 54 10.137 16.253 2.713 1.00 1.00 C ATOM 800 O ALA A 54 10.243 15.221 3.383 1.00 1.00 O ATOM 801 CB ALA A 54 7.910 16.714 1.691 1.00 1.00 C ATOM 0 H ALA A 54 8.460 14.547 0.641 1.00 1.00 H new ATOM 0 HA ALA A 54 9.801 17.013 0.755 1.00 1.00 H new ATOM 0 HB1 ALA A 54 7.911 17.679 2.198 1.00 1.00 H new ATOM 0 HB2 ALA A 54 7.370 16.800 0.748 1.00 1.00 H new ATOM 0 HB3 ALA A 54 7.421 15.973 2.323 1.00 1.00 H new ATOM 807 N ASP A 55 10.715 17.393 3.022 1.00 1.00 N ATOM 808 CA ASP A 55 11.524 17.587 4.208 1.00 1.00 C ATOM 809 C ASP A 55 10.741 17.322 5.481 1.00 1.00 C ATOM 810 O ASP A 55 9.572 17.696 5.602 1.00 1.00 O ATOM 811 CB ASP A 55 12.086 19.011 4.214 1.00 1.00 C ATOM 812 CG ASP A 55 11.046 20.085 3.923 1.00 1.00 C ATOM 813 OD1 ASP A 55 10.167 19.840 3.072 1.00 1.00 O ATOM 814 OD2 ASP A 55 11.075 21.159 4.570 1.00 1.00 O ATOM 0 H ASP A 55 10.635 18.230 2.444 1.00 1.00 H new ATOM 0 HA ASP A 55 12.342 16.868 4.180 1.00 1.00 H new ATOM 0 HB2 ASP A 55 12.537 19.209 5.186 1.00 1.00 H new ATOM 0 HB3 ASP A 55 12.883 19.080 3.473 1.00 1.00 H new ATOM 819 N GLU A 56 11.404 16.637 6.408 1.00 1.00 N ATOM 820 CA GLU A 56 10.839 16.289 7.709 1.00 1.00 C ATOM 821 C GLU A 56 10.180 17.481 8.407 1.00 1.00 C ATOM 822 O GLU A 56 9.156 17.327 9.066 1.00 1.00 O ATOM 823 CB GLU A 56 11.950 15.718 8.597 1.00 1.00 C ATOM 824 CG GLU A 56 13.139 16.662 8.766 1.00 1.00 C ATOM 825 CD GLU A 56 14.278 16.046 9.549 1.00 1.00 C ATOM 826 OE1 GLU A 56 14.224 16.062 10.795 1.00 1.00 O ATOM 827 OE2 GLU A 56 15.237 15.556 8.919 1.00 1.00 O ATOM 0 H GLU A 56 12.359 16.304 6.276 1.00 1.00 H new ATOM 0 HA GLU A 56 10.057 15.549 7.543 1.00 1.00 H new ATOM 0 HB2 GLU A 56 11.537 15.487 9.579 1.00 1.00 H new ATOM 0 HB3 GLU A 56 12.300 14.778 8.169 1.00 1.00 H new ATOM 0 HG2 GLU A 56 13.501 16.960 7.782 1.00 1.00 H new ATOM 0 HG3 GLU A 56 12.807 17.569 9.272 1.00 1.00 H new ATOM 834 N ARG A 57 10.746 18.668 8.232 1.00 1.00 N ATOM 835 CA ARG A 57 10.238 19.869 8.882 1.00 1.00 C ATOM 836 C ARG A 57 8.915 20.314 8.258 1.00 1.00 C ATOM 837 O ARG A 57 7.965 20.634 8.974 1.00 1.00 O ATOM 838 CB ARG A 57 11.293 20.970 8.752 1.00 1.00 C ATOM 839 CG ARG A 57 11.735 21.150 7.316 1.00 1.00 C ATOM 840 CD ARG A 57 12.988 21.979 7.152 1.00 1.00 C ATOM 841 NE ARG A 57 13.401 21.974 5.755 1.00 1.00 N ATOM 842 CZ ARG A 57 14.658 22.077 5.339 1.00 1.00 C ATOM 843 NH1 ARG A 57 15.635 22.296 6.210 1.00 1.00 N ATOM 844 NH2 ARG A 57 14.939 21.968 4.047 1.00 1.00 N ATOM 0 H ARG A 57 11.563 18.825 7.641 1.00 1.00 H new ATOM 0 HA ARG A 57 10.044 19.660 9.934 1.00 1.00 H new ATOM 0 HB2 ARG A 57 10.888 21.909 9.129 1.00 1.00 H new ATOM 0 HB3 ARG A 57 12.156 20.723 9.371 1.00 1.00 H new ATOM 0 HG2 ARG A 57 11.902 20.168 6.873 1.00 1.00 H new ATOM 0 HG3 ARG A 57 10.927 21.619 6.755 1.00 1.00 H new ATOM 0 HD2 ARG A 57 12.805 23.001 7.483 1.00 1.00 H new ATOM 0 HD3 ARG A 57 13.785 21.578 7.778 1.00 1.00 H new ATOM 0 HE ARG A 57 12.673 21.885 5.046 1.00 1.00 H new ATOM 0 HH11 ARG A 57 15.422 22.386 7.203 1.00 1.00 H new ATOM 0 HH12 ARG A 57 16.599 22.374 5.886 1.00 1.00 H new ATOM 0 HH21 ARG A 57 14.190 21.805 3.374 1.00 1.00 H new ATOM 0 HH22 ARG A 57 15.904 22.047 3.727 1.00 1.00 H new ATOM 858 N ALA A 58 8.845 20.289 6.928 1.00 1.00 N ATOM 859 CA ALA A 58 7.629 20.662 6.224 1.00 1.00 C ATOM 860 C ALA A 58 6.566 19.608 6.463 1.00 1.00 C ATOM 861 O ALA A 58 5.394 19.922 6.660 1.00 1.00 O ATOM 862 CB ALA A 58 7.901 20.816 4.737 1.00 1.00 C ATOM 0 H ALA A 58 9.617 20.014 6.321 1.00 1.00 H new ATOM 0 HA ALA A 58 7.275 21.620 6.603 1.00 1.00 H new ATOM 0 HB1 ALA A 58 6.980 21.095 4.226 1.00 1.00 H new ATOM 0 HB2 ALA A 58 8.651 21.592 4.583 1.00 1.00 H new ATOM 0 HB3 ALA A 58 8.267 19.872 4.334 1.00 1.00 H new ATOM 868 N ALA A 59 6.994 18.351 6.472 1.00 1.00 N ATOM 869 CA ALA A 59 6.102 17.242 6.749 1.00 1.00 C ATOM 870 C ALA A 59 5.530 17.392 8.148 1.00 1.00 C ATOM 871 O ALA A 59 4.324 17.259 8.350 1.00 1.00 O ATOM 872 CB ALA A 59 6.832 15.915 6.599 1.00 1.00 C ATOM 0 H ALA A 59 7.960 18.078 6.289 1.00 1.00 H new ATOM 0 HA ALA A 59 5.283 17.251 6.029 1.00 1.00 H new ATOM 0 HB1 ALA A 59 6.145 15.096 6.811 1.00 1.00 H new ATOM 0 HB2 ALA A 59 7.207 15.819 5.580 1.00 1.00 H new ATOM 0 HB3 ALA A 59 7.667 15.878 7.298 1.00 1.00 H new ATOM 878 N GLY A 60 6.403 17.710 9.098 1.00 1.00 N ATOM 879 CA GLY A 60 5.977 17.922 10.462 1.00 1.00 C ATOM 880 C GLY A 60 4.934 19.011 10.603 1.00 1.00 C ATOM 881 O GLY A 60 3.910 18.798 11.251 1.00 1.00 O ATOM 0 H GLY A 60 7.404 17.825 8.942 1.00 1.00 H new ATOM 0 HA2 GLY A 60 5.574 16.990 10.858 1.00 1.00 H new ATOM 0 HA3 GLY A 60 6.844 18.179 11.070 1.00 1.00 H new ATOM 885 N VAL A 61 5.154 20.165 9.973 1.00 1.00 N ATOM 886 CA VAL A 61 4.200 21.260 10.088 1.00 1.00 C ATOM 887 C VAL A 61 2.906 20.941 9.341 1.00 1.00 C ATOM 888 O VAL A 61 1.814 21.188 9.855 1.00 1.00 O ATOM 889 CB VAL A 61 4.775 22.622 9.619 1.00 1.00 C ATOM 890 CG1 VAL A 61 6.102 22.919 10.301 1.00 1.00 C ATOM 891 CG2 VAL A 61 4.902 22.713 8.108 1.00 1.00 C ATOM 0 H VAL A 61 5.968 20.361 9.390 1.00 1.00 H new ATOM 0 HA VAL A 61 3.982 21.361 11.151 1.00 1.00 H new ATOM 0 HB VAL A 61 4.057 23.386 9.918 1.00 1.00 H new ATOM 0 HG11 VAL A 61 6.483 23.880 9.954 1.00 1.00 H new ATOM 0 HG12 VAL A 61 5.956 22.955 11.381 1.00 1.00 H new ATOM 0 HG13 VAL A 61 6.819 22.135 10.058 1.00 1.00 H new ATOM 0 HG21 VAL A 61 5.309 23.687 7.835 1.00 1.00 H new ATOM 0 HG22 VAL A 61 5.568 21.928 7.751 1.00 1.00 H new ATOM 0 HG23 VAL A 61 3.920 22.590 7.652 1.00 1.00 H new ATOM 901 N LEU A 62 3.015 20.327 8.167 1.00 1.00 N ATOM 902 CA LEU A 62 1.832 19.986 7.399 1.00 1.00 C ATOM 903 C LEU A 62 0.974 18.979 8.153 1.00 1.00 C ATOM 904 O LEU A 62 -0.200 19.235 8.416 1.00 1.00 O ATOM 905 CB LEU A 62 2.220 19.449 6.022 1.00 1.00 C ATOM 906 CG LEU A 62 2.925 20.461 5.112 1.00 1.00 C ATOM 907 CD1 LEU A 62 3.390 19.796 3.831 1.00 1.00 C ATOM 908 CD2 LEU A 62 2.010 21.636 4.801 1.00 1.00 C ATOM 0 H LEU A 62 3.899 20.060 7.735 1.00 1.00 H new ATOM 0 HA LEU A 62 1.243 20.892 7.255 1.00 1.00 H new ATOM 0 HB2 LEU A 62 2.872 18.586 6.155 1.00 1.00 H new ATOM 0 HB3 LEU A 62 1.320 19.095 5.519 1.00 1.00 H new ATOM 0 HG LEU A 62 3.800 20.840 5.640 1.00 1.00 H new ATOM 0 HD11 LEU A 62 3.888 20.532 3.199 1.00 1.00 H new ATOM 0 HD12 LEU A 62 4.087 18.992 4.070 1.00 1.00 H new ATOM 0 HD13 LEU A 62 2.530 19.385 3.301 1.00 1.00 H new ATOM 0 HD21 LEU A 62 2.531 22.342 4.154 1.00 1.00 H new ATOM 0 HD22 LEU A 62 1.113 21.275 4.297 1.00 1.00 H new ATOM 0 HD23 LEU A 62 1.729 22.134 5.729 1.00 1.00 H new ATOM 920 N ARG A 63 1.585 17.881 8.580 1.00 1.00 N ATOM 921 CA ARG A 63 0.872 16.839 9.317 1.00 1.00 C ATOM 922 C ARG A 63 0.297 17.389 10.629 1.00 1.00 C ATOM 923 O ARG A 63 -0.754 16.944 11.089 1.00 1.00 O ATOM 924 CB ARG A 63 1.804 15.649 9.603 1.00 1.00 C ATOM 925 CG ARG A 63 2.796 15.902 10.730 1.00 1.00 C ATOM 926 CD ARG A 63 3.841 14.802 10.841 1.00 1.00 C ATOM 927 NE ARG A 63 3.259 13.501 11.185 1.00 1.00 N ATOM 928 CZ ARG A 63 3.819 12.641 12.042 1.00 1.00 C ATOM 929 NH1 ARG A 63 4.959 12.946 12.648 1.00 1.00 N ATOM 930 NH2 ARG A 63 3.238 11.472 12.286 1.00 1.00 N ATOM 0 H ARG A 63 2.575 17.687 8.429 1.00 1.00 H new ATOM 0 HA ARG A 63 0.043 16.496 8.698 1.00 1.00 H new ATOM 0 HB2 ARG A 63 1.199 14.778 9.853 1.00 1.00 H new ATOM 0 HB3 ARG A 63 2.355 15.405 8.695 1.00 1.00 H new ATOM 0 HG2 ARG A 63 3.294 16.857 10.564 1.00 1.00 H new ATOM 0 HG3 ARG A 63 2.257 15.983 11.674 1.00 1.00 H new ATOM 0 HD2 ARG A 63 4.375 14.718 9.895 1.00 1.00 H new ATOM 0 HD3 ARG A 63 4.575 15.079 11.598 1.00 1.00 H new ATOM 0 HE ARG A 63 2.377 13.237 10.746 1.00 1.00 H new ATOM 0 HH11 ARG A 63 5.413 13.840 12.461 1.00 1.00 H new ATOM 0 HH12 ARG A 63 5.382 12.286 13.301 1.00 1.00 H new ATOM 0 HH21 ARG A 63 2.364 11.230 11.819 1.00 1.00 H new ATOM 0 HH22 ARG A 63 3.666 10.816 12.940 1.00 1.00 H new ATOM 944 N ALA A 64 0.972 18.383 11.204 1.00 1.00 N ATOM 945 CA ALA A 64 0.525 19.001 12.448 1.00 1.00 C ATOM 946 C ALA A 64 -0.777 19.757 12.236 1.00 1.00 C ATOM 947 O ALA A 64 -1.633 19.801 13.117 1.00 1.00 O ATOM 948 CB ALA A 64 1.586 19.950 12.993 1.00 1.00 C ATOM 0 H ALA A 64 1.833 18.778 10.826 1.00 1.00 H new ATOM 0 HA ALA A 64 0.358 18.205 13.173 1.00 1.00 H new ATOM 0 HB1 ALA A 64 1.231 20.399 13.921 1.00 1.00 H new ATOM 0 HB2 ALA A 64 2.505 19.396 13.187 1.00 1.00 H new ATOM 0 HB3 ALA A 64 1.782 20.734 12.262 1.00 1.00 H new ATOM 954 N HIS A 65 -0.929 20.325 11.046 1.00 1.00 N ATOM 955 CA HIS A 65 -2.117 21.109 10.731 1.00 1.00 C ATOM 956 C HIS A 65 -3.146 20.262 9.986 1.00 1.00 C ATOM 957 O HIS A 65 -4.195 20.756 9.578 1.00 1.00 O ATOM 958 CB HIS A 65 -1.748 22.356 9.919 1.00 1.00 C ATOM 959 CG HIS A 65 -0.880 23.327 10.670 1.00 1.00 C ATOM 960 ND1 HIS A 65 -1.357 24.160 11.657 1.00 1.00 N ATOM 961 CD2 HIS A 65 0.450 23.580 10.587 1.00 1.00 C ATOM 962 CE1 HIS A 65 -0.364 24.875 12.144 1.00 1.00 C ATOM 963 NE2 HIS A 65 0.741 24.544 11.513 1.00 1.00 N ATOM 0 H HIS A 65 -0.250 20.258 10.288 1.00 1.00 H new ATOM 0 HA HIS A 65 -2.564 21.436 11.670 1.00 1.00 H new ATOM 0 HB2 HIS A 65 -1.232 22.048 9.010 1.00 1.00 H new ATOM 0 HB3 HIS A 65 -2.663 22.862 9.610 1.00 1.00 H new ATOM 0 HD2 HIS A 65 1.150 23.108 9.914 1.00 1.00 H new ATOM 0 HE1 HIS A 65 -0.444 25.611 12.931 1.00 1.00 H new ATOM 0 HE2 HIS A 65 1.664 24.941 11.686 1.00 1.00 H new ATOM 972 N GLY A 66 -2.833 18.982 9.817 1.00 1.00 N ATOM 973 CA GLY A 66 -3.749 18.063 9.165 1.00 1.00 C ATOM 974 C GLY A 66 -3.572 18.022 7.660 1.00 1.00 C ATOM 975 O GLY A 66 -4.405 17.462 6.943 1.00 1.00 O ATOM 0 H GLY A 66 -1.955 18.562 10.122 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -3.601 17.062 9.570 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -4.774 18.353 9.397 1.00 1.00 H new ATOM 979 N TYR A 67 -2.469 18.576 7.187 1.00 1.00 N ATOM 980 CA TYR A 67 -2.181 18.611 5.760 1.00 1.00 C ATOM 981 C TYR A 67 -1.415 17.370 5.340 1.00 1.00 C ATOM 982 O TYR A 67 -0.729 16.755 6.158 1.00 1.00 O ATOM 983 CB TYR A 67 -1.375 19.860 5.400 1.00 1.00 C ATOM 984 CG TYR A 67 -2.204 21.119 5.329 1.00 1.00 C ATOM 985 CD1 TYR A 67 -2.993 21.389 4.217 1.00 1.00 C ATOM 986 CD2 TYR A 67 -2.201 22.036 6.371 1.00 1.00 C ATOM 987 CE1 TYR A 67 -3.752 22.539 4.143 1.00 1.00 C ATOM 988 CE2 TYR A 67 -2.958 23.191 6.304 1.00 1.00 C ATOM 989 CZ TYR A 67 -3.733 23.436 5.190 1.00 1.00 C ATOM 990 OH TYR A 67 -4.481 24.586 5.120 1.00 1.00 O ATOM 0 H TYR A 67 -1.754 19.010 7.771 1.00 1.00 H new ATOM 0 HA TYR A 67 -3.131 18.640 5.227 1.00 1.00 H new ATOM 0 HB2 TYR A 67 -0.585 19.997 6.139 1.00 1.00 H new ATOM 0 HB3 TYR A 67 -0.888 19.702 4.438 1.00 1.00 H new ATOM 0 HD1 TYR A 67 -3.012 20.687 3.397 1.00 1.00 H new ATOM 0 HD2 TYR A 67 -1.599 21.845 7.247 1.00 1.00 H new ATOM 0 HE1 TYR A 67 -4.357 22.735 3.270 1.00 1.00 H new ATOM 0 HE2 TYR A 67 -2.942 23.898 7.120 1.00 1.00 H new ATOM 0 HH TYR A 67 -4.356 25.108 5.940 1.00 1.00 H new ATOM 1000 N PRO A 68 -1.549 16.960 4.069 1.00 1.00 N ATOM 1001 CA PRO A 68 -0.806 15.823 3.537 1.00 1.00 C ATOM 1002 C PRO A 68 0.666 16.157 3.410 1.00 1.00 C ATOM 1003 O PRO A 68 1.044 17.329 3.370 1.00 1.00 O ATOM 1004 CB PRO A 68 -1.424 15.587 2.160 1.00 1.00 C ATOM 1005 CG PRO A 68 -1.997 16.904 1.772 1.00 1.00 C ATOM 1006 CD PRO A 68 -2.428 17.566 3.056 1.00 1.00 C ATOM 0 HA PRO A 68 -0.866 14.946 4.181 1.00 1.00 H new ATOM 0 HB2 PRO A 68 -0.675 15.254 1.442 1.00 1.00 H new ATOM 0 HB3 PRO A 68 -2.194 14.816 2.198 1.00 1.00 H new ATOM 0 HG2 PRO A 68 -1.259 17.512 1.249 1.00 1.00 H new ATOM 0 HG3 PRO A 68 -2.842 16.777 1.096 1.00 1.00 H new ATOM 0 HD2 PRO A 68 -2.302 18.648 3.011 1.00 1.00 H new ATOM 0 HD3 PRO A 68 -3.479 17.376 3.272 1.00 1.00 H new ATOM 1014 N THR A 69 1.502 15.145 3.370 1.00 1.00 N ATOM 1015 CA THR A 69 2.928 15.390 3.296 1.00 1.00 C ATOM 1016 C THR A 69 3.598 14.524 2.231 1.00 1.00 C ATOM 1017 O THR A 69 4.800 14.651 1.992 1.00 1.00 O ATOM 1018 CB THR A 69 3.600 15.166 4.670 1.00 1.00 C ATOM 1019 OG1 THR A 69 3.568 13.780 5.020 1.00 1.00 O ATOM 1020 CG2 THR A 69 2.893 15.956 5.757 1.00 1.00 C ATOM 0 H THR A 69 1.229 14.162 3.387 1.00 1.00 H new ATOM 0 HA THR A 69 3.059 16.433 3.009 1.00 1.00 H new ATOM 0 HB THR A 69 4.632 15.506 4.590 1.00 1.00 H new ATOM 0 HG1 THR A 69 3.998 13.653 5.891 1.00 1.00 H new ATOM 0 HG21 THR A 69 3.386 15.780 6.713 1.00 1.00 H new ATOM 0 HG22 THR A 69 2.932 17.019 5.518 1.00 1.00 H new ATOM 0 HG23 THR A 69 1.853 15.637 5.821 1.00 1.00 H new ATOM 1028 N ASP A 70 2.787 13.768 1.502 1.00 1.00 N ATOM 1029 CA ASP A 70 3.282 12.903 0.430 1.00 1.00 C ATOM 1030 C ASP A 70 3.821 13.748 -0.718 1.00 1.00 C ATOM 1031 O ASP A 70 3.142 14.658 -1.193 1.00 1.00 O ATOM 1032 CB ASP A 70 2.163 11.983 -0.068 1.00 1.00 C ATOM 1033 CG ASP A 70 2.599 11.084 -1.208 1.00 1.00 C ATOM 1034 OD1 ASP A 70 3.644 10.408 -1.080 1.00 1.00 O ATOM 1035 OD2 ASP A 70 1.886 11.030 -2.230 1.00 1.00 O ATOM 0 H ASP A 70 1.776 13.734 1.632 1.00 1.00 H new ATOM 0 HA ASP A 70 4.091 12.286 0.822 1.00 1.00 H new ATOM 0 HB2 ASP A 70 1.812 11.367 0.759 1.00 1.00 H new ATOM 0 HB3 ASP A 70 1.319 12.590 -0.394 1.00 1.00 H new ATOM 1040 N HIS A 71 5.054 13.480 -1.129 1.00 1.00 N ATOM 1041 CA HIS A 71 5.708 14.271 -2.164 1.00 1.00 C ATOM 1042 C HIS A 71 6.939 13.562 -2.698 1.00 1.00 C ATOM 1043 O HIS A 71 7.621 12.850 -1.971 1.00 1.00 O ATOM 1044 CB HIS A 71 6.096 15.640 -1.581 1.00 1.00 C ATOM 1045 CG HIS A 71 7.051 16.464 -2.400 1.00 1.00 C ATOM 1046 ND1 HIS A 71 6.655 17.285 -3.426 1.00 1.00 N ATOM 1047 CD2 HIS A 71 8.393 16.623 -2.297 1.00 1.00 C ATOM 1048 CE1 HIS A 71 7.705 17.914 -3.919 1.00 1.00 C ATOM 1049 NE2 HIS A 71 8.776 17.535 -3.250 1.00 1.00 N ATOM 0 H HIS A 71 5.623 12.718 -0.760 1.00 1.00 H new ATOM 0 HA HIS A 71 5.015 14.406 -2.995 1.00 1.00 H new ATOM 0 HB2 HIS A 71 5.185 16.219 -1.431 1.00 1.00 H new ATOM 0 HB3 HIS A 71 6.538 15.481 -0.597 1.00 1.00 H new ATOM 0 HD1 HIS A 71 5.696 17.392 -3.757 1.00 1.00 H new ATOM 0 HD2 HIS A 71 9.043 16.124 -1.594 1.00 1.00 H new ATOM 0 HE1 HIS A 71 7.690 18.622 -4.735 1.00 1.00 H new ATOM 0 HE2 HIS A 71 9.728 17.863 -3.413 1.00 1.00 H new ATOM 1058 N ARG A 72 7.238 13.808 -3.958 1.00 1.00 N ATOM 1059 CA ARG A 72 8.437 13.287 -4.572 1.00 1.00 C ATOM 1060 C ARG A 72 9.092 14.405 -5.345 1.00 1.00 C ATOM 1061 O ARG A 72 8.496 14.975 -6.257 1.00 1.00 O ATOM 1062 CB ARG A 72 8.141 12.116 -5.499 1.00 1.00 C ATOM 1063 CG ARG A 72 9.072 10.942 -5.271 1.00 1.00 C ATOM 1064 CD ARG A 72 8.756 10.264 -3.950 1.00 1.00 C ATOM 1065 NE ARG A 72 9.694 9.192 -3.621 1.00 1.00 N ATOM 1066 CZ ARG A 72 9.434 8.237 -2.729 1.00 1.00 C ATOM 1067 NH1 ARG A 72 8.245 8.182 -2.136 1.00 1.00 N ATOM 1068 NH2 ARG A 72 10.345 7.316 -2.447 1.00 1.00 N ATOM 0 H ARG A 72 6.658 14.372 -4.580 1.00 1.00 H new ATOM 0 HA ARG A 72 9.099 12.914 -3.791 1.00 1.00 H new ATOM 0 HB2 ARG A 72 7.111 11.792 -5.351 1.00 1.00 H new ATOM 0 HB3 ARG A 72 8.226 12.446 -6.534 1.00 1.00 H new ATOM 0 HG2 ARG A 72 8.972 10.227 -6.087 1.00 1.00 H new ATOM 0 HG3 ARG A 72 10.107 11.285 -5.273 1.00 1.00 H new ATOM 0 HD2 ARG A 72 8.769 11.008 -3.154 1.00 1.00 H new ATOM 0 HD3 ARG A 72 7.746 9.856 -3.989 1.00 1.00 H new ATOM 0 HE ARG A 72 10.595 9.174 -4.099 1.00 1.00 H new ATOM 0 HH11 ARG A 72 7.529 8.872 -2.364 1.00 1.00 H new ATOM 0 HH12 ARG A 72 8.049 7.450 -1.454 1.00 1.00 H new ATOM 0 HH21 ARG A 72 11.252 7.336 -2.914 1.00 1.00 H new ATOM 0 HH22 ARG A 72 10.139 6.588 -1.763 1.00 1.00 H new ATOM 1082 N ALA A 73 10.245 14.804 -4.860 1.00 1.00 N ATOM 1083 CA ALA A 73 10.974 15.921 -5.430 1.00 1.00 C ATOM 1084 C ALA A 73 11.368 15.674 -6.882 1.00 1.00 C ATOM 1085 O ALA A 73 11.703 14.554 -7.270 1.00 1.00 O ATOM 1086 CB ALA A 73 12.189 16.231 -4.583 1.00 1.00 C ATOM 0 H ALA A 73 10.706 14.367 -4.062 1.00 1.00 H new ATOM 0 HA ALA A 73 10.310 16.785 -5.430 1.00 1.00 H new ATOM 0 HB1 ALA A 73 12.731 17.071 -5.018 1.00 1.00 H new ATOM 0 HB2 ALA A 73 11.872 16.488 -3.572 1.00 1.00 H new ATOM 0 HB3 ALA A 73 12.841 15.358 -4.548 1.00 1.00 H new ATOM 1092 N ALA A 74 11.304 16.724 -7.672 1.00 1.00 N ATOM 1093 CA ALA A 74 11.684 16.667 -9.069 1.00 1.00 C ATOM 1094 C ALA A 74 12.572 17.852 -9.412 1.00 1.00 C ATOM 1095 O ALA A 74 12.627 18.833 -8.674 1.00 1.00 O ATOM 1096 CB ALA A 74 10.438 16.663 -9.942 1.00 1.00 C ATOM 0 H ALA A 74 10.987 17.643 -7.364 1.00 1.00 H new ATOM 0 HA ALA A 74 12.243 15.750 -9.254 1.00 1.00 H new ATOM 0 HB1 ALA A 74 10.729 16.620 -10.992 1.00 1.00 H new ATOM 0 HB2 ALA A 74 9.826 15.794 -9.699 1.00 1.00 H new ATOM 0 HB3 ALA A 74 9.864 17.572 -9.762 1.00 1.00 H new ATOM 1102 N GLN A 75 13.300 17.750 -10.507 1.00 1.00 N ATOM 1103 CA GLN A 75 14.162 18.831 -10.939 1.00 1.00 C ATOM 1104 C GLN A 75 13.429 19.643 -12.002 1.00 1.00 C ATOM 1105 O GLN A 75 12.416 19.189 -12.540 1.00 1.00 O ATOM 1106 CB GLN A 75 15.490 18.266 -11.464 1.00 1.00 C ATOM 1107 CG GLN A 75 16.359 19.285 -12.195 1.00 1.00 C ATOM 1108 CD GLN A 75 17.741 18.763 -12.540 1.00 1.00 C ATOM 1109 OE1 GLN A 75 17.939 17.567 -12.750 1.00 1.00 O ATOM 1110 NE2 GLN A 75 18.714 19.662 -12.600 1.00 1.00 N ATOM 0 H GLN A 75 13.311 16.930 -11.113 1.00 1.00 H new ATOM 0 HA GLN A 75 14.400 19.488 -10.103 1.00 1.00 H new ATOM 0 HB2 GLN A 75 16.055 17.859 -10.626 1.00 1.00 H new ATOM 0 HB3 GLN A 75 15.277 17.436 -12.138 1.00 1.00 H new ATOM 0 HG2 GLN A 75 15.855 19.590 -13.112 1.00 1.00 H new ATOM 0 HG3 GLN A 75 16.460 20.176 -11.575 1.00 1.00 H new ATOM 0 HE21 GLN A 75 18.512 20.645 -12.420 1.00 1.00 H new ATOM 0 HE22 GLN A 75 19.665 19.370 -12.827 1.00 1.00 H new ATOM 1119 N VAL A 76 13.859 20.873 -12.225 1.00 1.00 N ATOM 1120 CA VAL A 76 13.248 21.713 -13.242 1.00 1.00 C ATOM 1121 C VAL A 76 13.482 21.118 -14.620 1.00 1.00 C ATOM 1122 O VAL A 76 14.582 21.188 -15.170 1.00 1.00 O ATOM 1123 CB VAL A 76 13.792 23.151 -13.200 1.00 1.00 C ATOM 1124 CG1 VAL A 76 13.228 23.991 -14.328 1.00 1.00 C ATOM 1125 CG2 VAL A 76 13.500 23.800 -11.859 1.00 1.00 C ATOM 0 H VAL A 76 14.627 21.312 -11.717 1.00 1.00 H new ATOM 0 HA VAL A 76 12.179 21.753 -13.034 1.00 1.00 H new ATOM 0 HB VAL A 76 14.873 23.096 -13.331 1.00 1.00 H new ATOM 0 HG11 VAL A 76 13.634 25.001 -14.268 1.00 1.00 H new ATOM 0 HG12 VAL A 76 13.502 23.547 -15.285 1.00 1.00 H new ATOM 0 HG13 VAL A 76 12.142 24.031 -14.244 1.00 1.00 H new ATOM 0 HG21 VAL A 76 13.894 24.816 -11.853 1.00 1.00 H new ATOM 0 HG22 VAL A 76 12.423 23.828 -11.695 1.00 1.00 H new ATOM 0 HG23 VAL A 76 13.973 23.223 -11.065 1.00 1.00 H new ATOM 1135 N GLY A 77 12.442 20.495 -15.138 1.00 1.00 N ATOM 1136 CA GLY A 77 12.504 19.872 -16.436 1.00 1.00 C ATOM 1137 C GLY A 77 11.504 20.471 -17.392 1.00 1.00 C ATOM 1138 O GLY A 77 10.752 21.372 -17.014 1.00 1.00 O ATOM 0 H GLY A 77 11.539 20.409 -14.672 1.00 1.00 H new ATOM 0 HA2 GLY A 77 13.509 19.982 -16.844 1.00 1.00 H new ATOM 0 HA3 GLY A 77 12.316 18.803 -16.336 1.00 1.00 H new ATOM 1142 N THR A 78 11.413 19.895 -18.579 1.00 1.00 N ATOM 1143 CA THR A 78 10.535 20.399 -19.620 1.00 1.00 C ATOM 1144 C THR A 78 9.081 20.450 -19.154 1.00 1.00 C ATOM 1145 O THR A 78 8.410 21.465 -19.329 1.00 1.00 O ATOM 1146 CB THR A 78 10.641 19.525 -20.878 1.00 1.00 C ATOM 1147 OG1 THR A 78 11.990 19.531 -21.359 1.00 1.00 O ATOM 1148 CG2 THR A 78 9.702 20.014 -21.968 1.00 1.00 C ATOM 0 H THR A 78 11.945 19.067 -18.847 1.00 1.00 H new ATOM 0 HA THR A 78 10.855 21.415 -19.853 1.00 1.00 H new ATOM 0 HB THR A 78 10.351 18.508 -20.612 1.00 1.00 H new ATOM 0 HG1 THR A 78 12.054 18.971 -22.161 1.00 1.00 H new ATOM 0 HG21 THR A 78 9.800 19.375 -22.846 1.00 1.00 H new ATOM 0 HG22 THR A 78 8.674 19.978 -21.606 1.00 1.00 H new ATOM 0 HG23 THR A 78 9.957 21.039 -22.235 1.00 1.00 H new ATOM 1156 N GLU A 79 8.615 19.379 -18.515 1.00 1.00 N ATOM 1157 CA GLU A 79 7.239 19.317 -18.021 1.00 1.00 C ATOM 1158 C GLU A 79 6.954 20.444 -17.028 1.00 1.00 C ATOM 1159 O GLU A 79 5.828 20.929 -16.930 1.00 1.00 O ATOM 1160 CB GLU A 79 6.969 17.960 -17.367 1.00 1.00 C ATOM 1161 CG GLU A 79 7.840 17.678 -16.156 1.00 1.00 C ATOM 1162 CD GLU A 79 7.459 16.389 -15.458 1.00 1.00 C ATOM 1163 OE1 GLU A 79 6.324 16.302 -14.945 1.00 1.00 O ATOM 1164 OE2 GLU A 79 8.300 15.472 -15.396 1.00 1.00 O ATOM 0 H GLU A 79 9.168 18.543 -18.327 1.00 1.00 H new ATOM 0 HA GLU A 79 6.572 19.441 -18.874 1.00 1.00 H new ATOM 0 HB2 GLU A 79 5.922 17.913 -17.068 1.00 1.00 H new ATOM 0 HB3 GLU A 79 7.125 17.174 -18.106 1.00 1.00 H new ATOM 0 HG2 GLU A 79 8.883 17.625 -16.467 1.00 1.00 H new ATOM 0 HG3 GLU A 79 7.759 18.507 -15.453 1.00 1.00 H new ATOM 1171 N HIS A 80 7.986 20.877 -16.315 1.00 1.00 N ATOM 1172 CA HIS A 80 7.833 21.947 -15.340 1.00 1.00 C ATOM 1173 C HIS A 80 7.786 23.299 -16.036 1.00 1.00 C ATOM 1174 O HIS A 80 6.976 24.148 -15.696 1.00 1.00 O ATOM 1175 CB HIS A 80 8.955 21.898 -14.300 1.00 1.00 C ATOM 1176 CG HIS A 80 8.926 20.641 -13.484 1.00 1.00 C ATOM 1177 ND1 HIS A 80 8.271 20.348 -12.338 1.00 1.00 N flip ATOM 1178 CD2 HIS A 80 9.608 19.495 -13.835 1.00 1.00 C flip ATOM 1179 CE1 HIS A 80 8.563 19.045 -12.018 1.00 1.00 C flip ATOM 1180 NE2 HIS A 80 9.371 18.556 -12.939 1.00 1.00 N flip ATOM 0 H HIS A 80 8.933 20.506 -16.393 1.00 1.00 H new ATOM 0 HA HIS A 80 6.888 21.805 -14.816 1.00 1.00 H new ATOM 0 HB2 HIS A 80 9.918 21.978 -14.805 1.00 1.00 H new ATOM 0 HB3 HIS A 80 8.870 22.760 -13.638 1.00 1.00 H new ATOM 0 HD2 HIS A 80 10.237 19.384 -14.706 1.00 1.00 H new ATOM 0 HE1 HIS A 80 8.193 18.510 -11.156 1.00 1.00 H new ATOM 0 HE2 HIS A 80 9.750 17.609 -12.956 1.00 1.00 H new ATOM 1189 N LEU A 81 8.639 23.471 -17.038 1.00 1.00 N ATOM 1190 CA LEU A 81 8.667 24.704 -17.825 1.00 1.00 C ATOM 1191 C LEU A 81 7.398 24.830 -18.661 1.00 1.00 C ATOM 1192 O LEU A 81 7.090 25.900 -19.184 1.00 1.00 O ATOM 1193 CB LEU A 81 9.879 24.708 -18.754 1.00 1.00 C ATOM 1194 CG LEU A 81 11.217 24.379 -18.090 1.00 1.00 C ATOM 1195 CD1 LEU A 81 12.269 24.067 -19.144 1.00 1.00 C ATOM 1196 CD2 LEU A 81 11.663 25.541 -17.222 1.00 1.00 C ATOM 0 H LEU A 81 9.323 22.772 -17.328 1.00 1.00 H new ATOM 0 HA LEU A 81 8.731 25.547 -17.137 1.00 1.00 H new ATOM 0 HB2 LEU A 81 9.704 23.989 -19.555 1.00 1.00 H new ATOM 0 HB3 LEU A 81 9.956 25.691 -19.219 1.00 1.00 H new ATOM 0 HG LEU A 81 11.092 23.498 -17.460 1.00 1.00 H new ATOM 0 HD11 LEU A 81 13.216 23.835 -18.656 1.00 1.00 H new ATOM 0 HD12 LEU A 81 11.947 23.211 -19.737 1.00 1.00 H new ATOM 0 HD13 LEU A 81 12.399 24.931 -19.795 1.00 1.00 H new ATOM 0 HD21 LEU A 81 12.617 25.299 -16.752 1.00 1.00 H new ATOM 0 HD22 LEU A 81 11.778 26.433 -17.838 1.00 1.00 H new ATOM 0 HD23 LEU A 81 10.916 25.727 -16.451 1.00 1.00 H new ATOM 1208 N ALA A 82 6.689 23.721 -18.830 1.00 1.00 N ATOM 1209 CA ALA A 82 5.463 23.716 -19.613 1.00 1.00 C ATOM 1210 C ALA A 82 4.276 24.115 -18.747 1.00 1.00 C ATOM 1211 O ALA A 82 3.154 24.266 -19.241 1.00 1.00 O ATOM 1212 CB ALA A 82 5.231 22.340 -20.216 1.00 1.00 C ATOM 0 H ALA A 82 6.943 22.815 -18.435 1.00 1.00 H new ATOM 0 HA ALA A 82 5.565 24.442 -20.419 1.00 1.00 H new ATOM 0 HB1 ALA A 82 4.310 22.349 -20.800 1.00 1.00 H new ATOM 0 HB2 ALA A 82 6.069 22.081 -20.863 1.00 1.00 H new ATOM 0 HB3 ALA A 82 5.147 21.602 -19.418 1.00 1.00 H new ATOM 1218 N ALA A 83 4.523 24.221 -17.445 1.00 1.00 N ATOM 1219 CA ALA A 83 3.486 24.589 -16.494 1.00 1.00 C ATOM 1220 C ALA A 83 2.883 25.951 -16.826 1.00 1.00 C ATOM 1221 O ALA A 83 3.549 26.816 -17.397 1.00 1.00 O ATOM 1222 CB ALA A 83 4.036 24.589 -15.079 1.00 1.00 C ATOM 0 H ALA A 83 5.438 24.056 -17.025 1.00 1.00 H new ATOM 0 HA ALA A 83 2.694 23.844 -16.565 1.00 1.00 H new ATOM 0 HB1 ALA A 83 3.246 24.867 -14.381 1.00 1.00 H new ATOM 0 HB2 ALA A 83 4.405 23.593 -14.832 1.00 1.00 H new ATOM 0 HB3 ALA A 83 4.853 25.307 -15.006 1.00 1.00 H new ATOM 1228 N ASP A 84 1.624 26.145 -16.451 1.00 1.00 N ATOM 1229 CA ASP A 84 0.945 27.405 -16.718 1.00 1.00 C ATOM 1230 C ASP A 84 1.377 28.451 -15.706 1.00 1.00 C ATOM 1231 O ASP A 84 1.257 29.648 -15.948 1.00 1.00 O ATOM 1232 CB ASP A 84 -0.579 27.241 -16.677 1.00 1.00 C ATOM 1233 CG ASP A 84 -1.296 28.424 -17.310 1.00 1.00 C ATOM 1234 OD1 ASP A 84 -1.024 28.722 -18.487 1.00 1.00 O ATOM 1235 OD2 ASP A 84 -2.140 29.051 -16.623 1.00 1.00 O ATOM 0 H ASP A 84 1.057 25.451 -15.965 1.00 1.00 H new ATOM 0 HA ASP A 84 1.223 27.729 -17.721 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -0.859 26.326 -17.198 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -0.904 27.131 -15.642 1.00 1.00 H new ATOM 1240 N LEU A 85 2.010 27.989 -14.639 1.00 1.00 N ATOM 1241 CA LEU A 85 2.437 28.870 -13.576 1.00 1.00 C ATOM 1242 C LEU A 85 3.596 28.242 -12.843 1.00 1.00 C ATOM 1243 O LEU A 85 3.482 27.150 -12.294 1.00 1.00 O ATOM 1244 CB LEU A 85 1.288 29.109 -12.591 1.00 1.00 C ATOM 1245 CG LEU A 85 1.407 30.337 -11.676 1.00 1.00 C ATOM 1246 CD1 LEU A 85 0.415 30.229 -10.554 1.00 1.00 C ATOM 1247 CD2 LEU A 85 2.792 30.492 -11.095 1.00 1.00 C ATOM 0 H LEU A 85 2.237 27.006 -14.491 1.00 1.00 H new ATOM 0 HA LEU A 85 2.741 29.824 -14.007 1.00 1.00 H new ATOM 0 HB2 LEU A 85 0.364 29.198 -13.162 1.00 1.00 H new ATOM 0 HB3 LEU A 85 1.190 28.224 -11.962 1.00 1.00 H new ATOM 0 HG LEU A 85 1.202 31.215 -12.289 1.00 1.00 H new ATOM 0 HD11 LEU A 85 0.502 31.102 -9.906 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -0.594 30.180 -10.964 1.00 1.00 H new ATOM 0 HD13 LEU A 85 0.616 29.327 -9.976 1.00 1.00 H new ATOM 0 HD21 LEU A 85 2.822 31.375 -10.456 1.00 1.00 H new ATOM 0 HD22 LEU A 85 3.040 29.609 -10.506 1.00 1.00 H new ATOM 0 HD23 LEU A 85 3.515 30.604 -11.903 1.00 1.00 H new ATOM 1259 N LEU A 86 4.726 28.905 -12.895 1.00 1.00 N ATOM 1260 CA LEU A 86 5.878 28.439 -12.205 1.00 1.00 C ATOM 1261 C LEU A 86 6.153 29.323 -11.004 1.00 1.00 C ATOM 1262 O LEU A 86 6.645 30.436 -11.135 1.00 1.00 O ATOM 1263 CB LEU A 86 7.041 28.366 -13.173 1.00 1.00 C ATOM 1264 CG LEU A 86 6.829 27.370 -14.325 1.00 1.00 C ATOM 1265 CD1 LEU A 86 5.785 27.851 -15.314 1.00 1.00 C ATOM 1266 CD2 LEU A 86 8.130 27.125 -15.028 1.00 1.00 C ATOM 0 H LEU A 86 4.861 29.773 -13.414 1.00 1.00 H new ATOM 0 HA LEU A 86 5.716 27.433 -11.817 1.00 1.00 H new ATOM 0 HB2 LEU A 86 7.217 29.357 -13.590 1.00 1.00 H new ATOM 0 HB3 LEU A 86 7.941 28.087 -12.625 1.00 1.00 H new ATOM 0 HG LEU A 86 6.461 26.439 -13.893 1.00 1.00 H new ATOM 0 HD11 LEU A 86 5.670 27.114 -16.109 1.00 1.00 H new ATOM 0 HD12 LEU A 86 4.832 27.983 -14.802 1.00 1.00 H new ATOM 0 HD13 LEU A 86 6.101 28.802 -15.743 1.00 1.00 H new ATOM 0 HD21 LEU A 86 7.975 26.419 -15.844 1.00 1.00 H new ATOM 0 HD22 LEU A 86 8.510 28.065 -15.429 1.00 1.00 H new ATOM 0 HD23 LEU A 86 8.852 26.713 -14.323 1.00 1.00 H new ATOM 1278 N VAL A 87 5.850 28.782 -9.836 1.00 1.00 N ATOM 1279 CA VAL A 87 5.969 29.514 -8.585 1.00 1.00 C ATOM 1280 C VAL A 87 7.391 29.447 -8.047 1.00 1.00 C ATOM 1281 O VAL A 87 7.785 28.490 -7.384 1.00 1.00 O ATOM 1282 CB VAL A 87 4.982 28.980 -7.528 1.00 1.00 C ATOM 1283 CG1 VAL A 87 5.262 29.585 -6.170 1.00 1.00 C ATOM 1284 CG2 VAL A 87 3.555 29.276 -7.943 1.00 1.00 C ATOM 0 H VAL A 87 5.515 27.825 -9.728 1.00 1.00 H new ATOM 0 HA VAL A 87 5.722 30.555 -8.793 1.00 1.00 H new ATOM 0 HB VAL A 87 5.115 27.901 -7.457 1.00 1.00 H new ATOM 0 HG11 VAL A 87 4.552 29.192 -5.443 1.00 1.00 H new ATOM 0 HG12 VAL A 87 6.276 29.331 -5.861 1.00 1.00 H new ATOM 0 HG13 VAL A 87 5.160 30.669 -6.227 1.00 1.00 H new ATOM 0 HG21 VAL A 87 2.869 28.893 -7.187 1.00 1.00 H new ATOM 0 HG22 VAL A 87 3.421 30.353 -8.042 1.00 1.00 H new ATOM 0 HG23 VAL A 87 3.347 28.795 -8.899 1.00 1.00 H new ATOM 1294 N ALA A 88 8.177 30.440 -8.401 1.00 1.00 N ATOM 1295 CA ALA A 88 9.549 30.504 -7.950 1.00 1.00 C ATOM 1296 C ALA A 88 9.619 31.011 -6.514 1.00 1.00 C ATOM 1297 O ALA A 88 8.846 31.885 -6.111 1.00 1.00 O ATOM 1298 CB ALA A 88 10.383 31.369 -8.878 1.00 1.00 C ATOM 0 H ALA A 88 7.889 31.214 -9.000 1.00 1.00 H new ATOM 0 HA ALA A 88 9.964 29.497 -7.972 1.00 1.00 H new ATOM 0 HB1 ALA A 88 11.411 31.402 -8.518 1.00 1.00 H new ATOM 0 HB2 ALA A 88 10.364 30.948 -9.883 1.00 1.00 H new ATOM 0 HB3 ALA A 88 9.974 32.379 -8.900 1.00 1.00 H new ATOM 1304 N LEU A 89 10.530 30.440 -5.738 1.00 1.00 N ATOM 1305 CA LEU A 89 10.724 30.841 -4.358 1.00 1.00 C ATOM 1306 C LEU A 89 11.857 31.850 -4.269 1.00 1.00 C ATOM 1307 O LEU A 89 12.109 32.433 -3.220 1.00 1.00 O ATOM 1308 CB LEU A 89 11.031 29.614 -3.492 1.00 1.00 C ATOM 1309 CG LEU A 89 9.808 28.847 -2.970 1.00 1.00 C ATOM 1310 CD1 LEU A 89 8.869 29.788 -2.238 1.00 1.00 C ATOM 1311 CD2 LEU A 89 9.078 28.128 -4.097 1.00 1.00 C ATOM 0 H LEU A 89 11.150 29.691 -6.048 1.00 1.00 H new ATOM 0 HA LEU A 89 9.810 31.306 -3.989 1.00 1.00 H new ATOM 0 HB2 LEU A 89 11.647 28.927 -4.072 1.00 1.00 H new ATOM 0 HB3 LEU A 89 11.628 29.935 -2.638 1.00 1.00 H new ATOM 0 HG LEU A 89 10.161 28.089 -2.271 1.00 1.00 H new ATOM 0 HD11 LEU A 89 8.006 29.230 -1.873 1.00 1.00 H new ATOM 0 HD12 LEU A 89 9.391 30.240 -1.395 1.00 1.00 H new ATOM 0 HD13 LEU A 89 8.534 30.570 -2.919 1.00 1.00 H new ATOM 0 HD21 LEU A 89 8.218 27.595 -3.692 1.00 1.00 H new ATOM 0 HD22 LEU A 89 8.740 28.856 -4.834 1.00 1.00 H new ATOM 0 HD23 LEU A 89 9.754 27.417 -4.573 1.00 1.00 H new ATOM 1323 N ASP A 90 12.547 32.024 -5.385 1.00 1.00 N ATOM 1324 CA ASP A 90 13.660 32.953 -5.458 1.00 1.00 C ATOM 1325 C ASP A 90 13.795 33.526 -6.864 1.00 1.00 C ATOM 1326 O ASP A 90 13.419 32.880 -7.851 1.00 1.00 O ATOM 1327 CB ASP A 90 14.956 32.260 -5.012 1.00 1.00 C ATOM 1328 CG ASP A 90 16.080 32.381 -6.018 1.00 1.00 C ATOM 1329 OD1 ASP A 90 16.839 33.366 -5.941 1.00 1.00 O ATOM 1330 OD2 ASP A 90 16.229 31.493 -6.874 1.00 1.00 O ATOM 0 H ASP A 90 12.353 31.530 -6.256 1.00 1.00 H new ATOM 0 HA ASP A 90 13.467 33.785 -4.781 1.00 1.00 H new ATOM 0 HB2 ASP A 90 15.280 32.688 -4.063 1.00 1.00 H new ATOM 0 HB3 ASP A 90 14.751 31.205 -4.832 1.00 1.00 H new ATOM 1335 N ARG A 91 14.325 34.739 -6.932 1.00 1.00 N ATOM 1336 CA ARG A 91 14.522 35.472 -8.186 1.00 1.00 C ATOM 1337 C ARG A 91 15.338 34.689 -9.210 1.00 1.00 C ATOM 1338 O ARG A 91 15.113 34.814 -10.416 1.00 1.00 O ATOM 1339 CB ARG A 91 15.231 36.794 -7.894 1.00 1.00 C ATOM 1340 CG ARG A 91 16.306 36.671 -6.826 1.00 1.00 C ATOM 1341 CD ARG A 91 17.261 37.848 -6.848 1.00 1.00 C ATOM 1342 NE ARG A 91 18.189 37.765 -7.974 1.00 1.00 N ATOM 1343 CZ ARG A 91 19.044 38.731 -8.314 1.00 1.00 C ATOM 1344 NH1 ARG A 91 19.050 39.881 -7.651 1.00 1.00 N ATOM 1345 NH2 ARG A 91 19.888 38.549 -9.324 1.00 1.00 N ATOM 0 H ARG A 91 14.637 35.254 -6.108 1.00 1.00 H new ATOM 0 HA ARG A 91 13.534 35.641 -8.615 1.00 1.00 H new ATOM 0 HB2 ARG A 91 15.682 37.168 -8.813 1.00 1.00 H new ATOM 0 HB3 ARG A 91 14.494 37.532 -7.576 1.00 1.00 H new ATOM 0 HG2 ARG A 91 15.837 36.602 -5.845 1.00 1.00 H new ATOM 0 HG3 ARG A 91 16.864 35.747 -6.978 1.00 1.00 H new ATOM 0 HD2 ARG A 91 16.694 38.777 -6.911 1.00 1.00 H new ATOM 0 HD3 ARG A 91 17.822 37.880 -5.914 1.00 1.00 H new ATOM 0 HE ARG A 91 18.183 36.914 -8.536 1.00 1.00 H new ATOM 0 HH11 ARG A 91 18.400 40.028 -6.879 1.00 1.00 H new ATOM 0 HH12 ARG A 91 19.705 40.618 -7.913 1.00 1.00 H new ATOM 0 HH21 ARG A 91 19.883 37.670 -9.841 1.00 1.00 H new ATOM 0 HH22 ARG A 91 20.541 39.289 -9.583 1.00 1.00 H new ATOM 1359 N ASN A 92 16.234 33.839 -8.733 1.00 1.00 N ATOM 1360 CA ASN A 92 17.112 33.102 -9.629 1.00 1.00 C ATOM 1361 C ASN A 92 16.335 31.992 -10.302 1.00 1.00 C ATOM 1362 O ASN A 92 16.368 31.853 -11.519 1.00 1.00 O ATOM 1363 CB ASN A 92 18.304 32.516 -8.874 1.00 1.00 C ATOM 1364 CG ASN A 92 19.283 33.560 -8.415 1.00 1.00 C ATOM 1365 OD1 ASN A 92 20.224 33.913 -9.127 1.00 1.00 O ATOM 1366 ND2 ASN A 92 19.080 34.053 -7.220 1.00 1.00 N ATOM 0 H ASN A 92 16.372 33.643 -7.741 1.00 1.00 H new ATOM 0 HA ASN A 92 17.493 33.793 -10.381 1.00 1.00 H new ATOM 0 HB2 ASN A 92 17.941 31.961 -8.009 1.00 1.00 H new ATOM 0 HB3 ASN A 92 18.818 31.802 -9.517 1.00 1.00 H new ATOM 0 HD21 ASN A 92 19.714 34.758 -6.845 1.00 1.00 H new ATOM 0 HD22 ASN A 92 18.288 33.732 -6.664 1.00 1.00 H new ATOM 1373 N HIS A 93 15.619 31.221 -9.491 1.00 1.00 N ATOM 1374 CA HIS A 93 14.792 30.123 -9.993 1.00 1.00 C ATOM 1375 C HIS A 93 13.863 30.626 -11.090 1.00 1.00 C ATOM 1376 O HIS A 93 13.765 30.016 -12.154 1.00 1.00 O ATOM 1377 CB HIS A 93 13.954 29.489 -8.870 1.00 1.00 C ATOM 1378 CG HIS A 93 14.735 29.095 -7.657 1.00 1.00 C ATOM 1379 ND1 HIS A 93 14.239 29.220 -6.383 1.00 1.00 N ATOM 1380 CD2 HIS A 93 15.984 28.585 -7.522 1.00 1.00 C ATOM 1381 CE1 HIS A 93 15.142 28.814 -5.517 1.00 1.00 C ATOM 1382 NE2 HIS A 93 16.215 28.421 -6.177 1.00 1.00 N ATOM 0 H HIS A 93 15.593 31.335 -8.478 1.00 1.00 H new ATOM 0 HA HIS A 93 15.463 29.363 -10.394 1.00 1.00 H new ATOM 0 HB2 HIS A 93 13.177 30.193 -8.573 1.00 1.00 H new ATOM 0 HB3 HIS A 93 13.450 28.606 -9.264 1.00 1.00 H new ATOM 0 HD1 HIS A 93 13.312 29.573 -6.145 1.00 1.00 H new ATOM 0 HD2 HIS A 93 16.670 28.351 -8.323 1.00 1.00 H new ATOM 0 HE1 HIS A 93 15.025 28.804 -4.443 1.00 1.00 H new ATOM 1391 N ALA A 94 13.219 31.764 -10.839 1.00 1.00 N ATOM 1392 CA ALA A 94 12.309 32.357 -11.813 1.00 1.00 C ATOM 1393 C ALA A 94 13.041 32.648 -13.115 1.00 1.00 C ATOM 1394 O ALA A 94 12.558 32.321 -14.200 1.00 1.00 O ATOM 1395 CB ALA A 94 11.663 33.623 -11.261 1.00 1.00 C ATOM 0 H ALA A 94 13.311 32.292 -9.971 1.00 1.00 H new ATOM 0 HA ALA A 94 11.514 31.639 -12.016 1.00 1.00 H new ATOM 0 HB1 ALA A 94 10.990 34.044 -12.008 1.00 1.00 H new ATOM 0 HB2 ALA A 94 11.099 33.381 -10.360 1.00 1.00 H new ATOM 0 HB3 ALA A 94 12.437 34.351 -11.020 1.00 1.00 H new ATOM 1401 N ARG A 95 14.220 33.251 -12.992 1.00 1.00 N ATOM 1402 CA ARG A 95 15.049 33.572 -14.145 1.00 1.00 C ATOM 1403 C ARG A 95 15.460 32.318 -14.908 1.00 1.00 C ATOM 1404 O ARG A 95 15.426 32.299 -16.138 1.00 1.00 O ATOM 1405 CB ARG A 95 16.286 34.372 -13.713 1.00 1.00 C ATOM 1406 CG ARG A 95 17.488 34.192 -14.633 1.00 1.00 C ATOM 1407 CD ARG A 95 18.380 35.423 -14.665 1.00 1.00 C ATOM 1408 NE ARG A 95 17.861 36.442 -15.578 1.00 1.00 N ATOM 1409 CZ ARG A 95 18.590 37.030 -16.529 1.00 1.00 C ATOM 1410 NH1 ARG A 95 19.876 36.732 -16.673 1.00 1.00 N ATOM 1411 NH2 ARG A 95 18.032 37.911 -17.347 1.00 1.00 N ATOM 0 H ARG A 95 14.623 33.528 -12.097 1.00 1.00 H new ATOM 0 HA ARG A 95 14.453 34.187 -14.820 1.00 1.00 H new ATOM 0 HB2 ARG A 95 16.027 35.430 -13.672 1.00 1.00 H new ATOM 0 HB3 ARG A 95 16.566 34.073 -12.703 1.00 1.00 H new ATOM 0 HG2 ARG A 95 18.071 33.332 -14.302 1.00 1.00 H new ATOM 0 HG3 ARG A 95 17.140 33.972 -15.642 1.00 1.00 H new ATOM 0 HD2 ARG A 95 18.461 35.840 -13.661 1.00 1.00 H new ATOM 0 HD3 ARG A 95 19.386 35.136 -14.973 1.00 1.00 H new ATOM 0 HE ARG A 95 16.884 36.719 -15.482 1.00 1.00 H new ATOM 0 HH11 ARG A 95 20.314 36.049 -16.054 1.00 1.00 H new ATOM 0 HH12 ARG A 95 20.426 37.186 -17.402 1.00 1.00 H new ATOM 0 HH21 ARG A 95 17.043 38.141 -17.251 1.00 1.00 H new ATOM 0 HH22 ARG A 95 18.592 38.359 -18.073 1.00 1.00 H new ATOM 1425 N LEU A 96 15.771 31.255 -14.179 1.00 1.00 N ATOM 1426 CA LEU A 96 16.223 30.021 -14.802 1.00 1.00 C ATOM 1427 C LEU A 96 15.105 29.410 -15.629 1.00 1.00 C ATOM 1428 O LEU A 96 15.289 29.111 -16.795 1.00 1.00 O ATOM 1429 CB LEU A 96 16.703 29.016 -13.747 1.00 1.00 C ATOM 1430 CG LEU A 96 17.726 29.564 -12.744 1.00 1.00 C ATOM 1431 CD1 LEU A 96 18.233 28.471 -11.816 1.00 1.00 C ATOM 1432 CD2 LEU A 96 18.889 30.233 -13.467 1.00 1.00 C ATOM 0 H LEU A 96 15.719 31.223 -13.161 1.00 1.00 H new ATOM 0 HA LEU A 96 17.062 30.260 -15.455 1.00 1.00 H new ATOM 0 HB2 LEU A 96 15.837 28.650 -13.196 1.00 1.00 H new ATOM 0 HB3 LEU A 96 17.141 28.158 -14.258 1.00 1.00 H new ATOM 0 HG LEU A 96 17.221 30.313 -12.135 1.00 1.00 H new ATOM 0 HD11 LEU A 96 18.956 28.893 -11.118 1.00 1.00 H new ATOM 0 HD12 LEU A 96 17.396 28.048 -11.260 1.00 1.00 H new ATOM 0 HD13 LEU A 96 18.711 27.687 -12.404 1.00 1.00 H new ATOM 0 HD21 LEU A 96 19.602 30.614 -12.735 1.00 1.00 H new ATOM 0 HD22 LEU A 96 19.384 29.506 -14.111 1.00 1.00 H new ATOM 0 HD23 LEU A 96 18.515 31.058 -14.073 1.00 1.00 H new ATOM 1444 N LEU A 97 13.925 29.336 -15.046 1.00 1.00 N ATOM 1445 CA LEU A 97 12.766 28.744 -15.716 1.00 1.00 C ATOM 1446 C LEU A 97 12.494 29.409 -17.066 1.00 1.00 C ATOM 1447 O LEU A 97 12.433 28.745 -18.099 1.00 1.00 O ATOM 1448 CB LEU A 97 11.529 28.896 -14.833 1.00 1.00 C ATOM 1449 CG LEU A 97 11.652 28.313 -13.433 1.00 1.00 C ATOM 1450 CD1 LEU A 97 10.526 28.821 -12.552 1.00 1.00 C ATOM 1451 CD2 LEU A 97 11.645 26.797 -13.489 1.00 1.00 C ATOM 0 H LEU A 97 13.735 29.678 -14.104 1.00 1.00 H new ATOM 0 HA LEU A 97 12.986 27.690 -15.888 1.00 1.00 H new ATOM 0 HB2 LEU A 97 11.293 29.957 -14.747 1.00 1.00 H new ATOM 0 HB3 LEU A 97 10.685 28.421 -15.333 1.00 1.00 H new ATOM 0 HG LEU A 97 12.600 28.635 -13.002 1.00 1.00 H new ATOM 0 HD11 LEU A 97 10.626 28.396 -11.553 1.00 1.00 H new ATOM 0 HD12 LEU A 97 10.574 29.908 -12.491 1.00 1.00 H new ATOM 0 HD13 LEU A 97 9.568 28.524 -12.979 1.00 1.00 H new ATOM 0 HD21 LEU A 97 11.734 26.395 -12.480 1.00 1.00 H new ATOM 0 HD22 LEU A 97 10.712 26.454 -13.935 1.00 1.00 H new ATOM 0 HD23 LEU A 97 12.485 26.451 -14.092 1.00 1.00 H new ATOM 1463 N ARG A 98 12.264 30.714 -17.031 1.00 1.00 N ATOM 1464 CA ARG A 98 11.964 31.480 -18.241 1.00 1.00 C ATOM 1465 C ARG A 98 13.089 31.418 -19.262 1.00 1.00 C ATOM 1466 O ARG A 98 12.834 31.260 -20.456 1.00 1.00 O ATOM 1467 CB ARG A 98 11.618 32.928 -17.893 1.00 1.00 C ATOM 1468 CG ARG A 98 12.662 33.635 -17.060 1.00 1.00 C ATOM 1469 CD ARG A 98 12.035 34.750 -16.242 1.00 1.00 C ATOM 1470 NE ARG A 98 11.869 35.980 -17.011 1.00 1.00 N ATOM 1471 CZ ARG A 98 12.067 37.201 -16.512 1.00 1.00 C ATOM 1472 NH1 ARG A 98 12.478 37.351 -15.257 1.00 1.00 N ATOM 1473 NH2 ARG A 98 11.854 38.269 -17.268 1.00 1.00 N ATOM 0 H ARG A 98 12.279 31.270 -16.176 1.00 1.00 H new ATOM 0 HA ARG A 98 11.094 31.016 -18.705 1.00 1.00 H new ATOM 0 HB2 ARG A 98 11.469 33.486 -18.818 1.00 1.00 H new ATOM 0 HB3 ARG A 98 10.670 32.943 -17.355 1.00 1.00 H new ATOM 0 HG2 ARG A 98 13.149 32.921 -16.396 1.00 1.00 H new ATOM 0 HG3 ARG A 98 13.435 34.045 -17.709 1.00 1.00 H new ATOM 0 HD2 ARG A 98 11.064 34.423 -15.871 1.00 1.00 H new ATOM 0 HD3 ARG A 98 12.657 34.951 -15.370 1.00 1.00 H new ATOM 0 HE ARG A 98 11.585 35.901 -17.987 1.00 1.00 H new ATOM 0 HH11 ARG A 98 12.643 36.531 -14.673 1.00 1.00 H new ATOM 0 HH12 ARG A 98 12.629 38.286 -14.878 1.00 1.00 H new ATOM 0 HH21 ARG A 98 11.539 38.157 -18.232 1.00 1.00 H new ATOM 0 HH22 ARG A 98 12.005 39.203 -16.886 1.00 1.00 H new ATOM 1487 N GLN A 99 14.328 31.512 -18.806 1.00 1.00 N ATOM 1488 CA GLN A 99 15.457 31.429 -19.719 1.00 1.00 C ATOM 1489 C GLN A 99 15.531 30.019 -20.307 1.00 1.00 C ATOM 1490 O GLN A 99 15.975 29.823 -21.439 1.00 1.00 O ATOM 1491 CB GLN A 99 16.770 31.827 -19.019 1.00 1.00 C ATOM 1492 CG GLN A 99 17.367 30.770 -18.103 1.00 1.00 C ATOM 1493 CD GLN A 99 18.516 30.013 -18.738 1.00 1.00 C ATOM 1494 OE1 GLN A 99 18.577 29.852 -19.955 1.00 1.00 O ATOM 1495 NE2 GLN A 99 19.441 29.543 -17.917 1.00 1.00 N ATOM 0 H GLN A 99 14.576 31.644 -17.825 1.00 1.00 H new ATOM 0 HA GLN A 99 15.311 32.138 -20.534 1.00 1.00 H new ATOM 0 HB2 GLN A 99 17.506 32.080 -19.782 1.00 1.00 H new ATOM 0 HB3 GLN A 99 16.592 32.730 -18.436 1.00 1.00 H new ATOM 0 HG2 GLN A 99 17.716 31.247 -17.187 1.00 1.00 H new ATOM 0 HG3 GLN A 99 16.588 30.063 -17.817 1.00 1.00 H new ATOM 0 HE21 GLN A 99 19.357 29.696 -16.912 1.00 1.00 H new ATOM 0 HE22 GLN A 99 20.239 29.027 -18.289 1.00 1.00 H new ATOM 1504 N LEU A 100 15.033 29.052 -19.542 1.00 1.00 N ATOM 1505 CA LEU A 100 15.015 27.655 -19.951 1.00 1.00 C ATOM 1506 C LEU A 100 13.868 27.362 -20.915 1.00 1.00 C ATOM 1507 O LEU A 100 13.840 26.305 -21.543 1.00 1.00 O ATOM 1508 CB LEU A 100 14.908 26.750 -18.717 1.00 1.00 C ATOM 1509 CG LEU A 100 16.180 26.649 -17.867 1.00 1.00 C ATOM 1510 CD1 LEU A 100 16.124 25.429 -16.965 1.00 1.00 C ATOM 1511 CD2 LEU A 100 17.422 26.631 -18.744 1.00 1.00 C ATOM 0 H LEU A 100 14.630 29.217 -18.620 1.00 1.00 H new ATOM 0 HA LEU A 100 15.948 27.450 -20.475 1.00 1.00 H new ATOM 0 HB2 LEU A 100 14.098 27.117 -18.087 1.00 1.00 H new ATOM 0 HB3 LEU A 100 14.629 25.748 -19.044 1.00 1.00 H new ATOM 0 HG LEU A 100 16.239 27.534 -17.233 1.00 1.00 H new ATOM 0 HD11 LEU A 100 17.035 25.375 -16.370 1.00 1.00 H new ATOM 0 HD12 LEU A 100 15.262 25.506 -16.302 1.00 1.00 H new ATOM 0 HD13 LEU A 100 16.034 24.530 -17.574 1.00 1.00 H new ATOM 0 HD21 LEU A 100 18.310 26.559 -18.116 1.00 1.00 H new ATOM 0 HD22 LEU A 100 17.381 25.773 -19.415 1.00 1.00 H new ATOM 0 HD23 LEU A 100 17.466 27.548 -19.331 1.00 1.00 H new ATOM 1523 N GLY A 101 12.920 28.287 -21.026 1.00 1.00 N ATOM 1524 CA GLY A 101 11.804 28.074 -21.927 1.00 1.00 C ATOM 1525 C GLY A 101 10.519 28.735 -21.471 1.00 1.00 C ATOM 1526 O GLY A 101 9.646 29.028 -22.292 1.00 1.00 O ATOM 0 H GLY A 101 12.904 29.170 -20.515 1.00 1.00 H new ATOM 0 HA2 GLY A 101 12.068 28.454 -22.914 1.00 1.00 H new ATOM 0 HA3 GLY A 101 11.633 27.003 -22.033 1.00 1.00 H new ATOM 1530 N VAL A 102 10.374 28.960 -20.166 1.00 1.00 N ATOM 1531 CA VAL A 102 9.157 29.563 -19.646 1.00 1.00 C ATOM 1532 C VAL A 102 9.152 31.082 -19.920 1.00 1.00 C ATOM 1533 O VAL A 102 9.931 31.566 -20.738 1.00 1.00 O ATOM 1534 CB VAL A 102 8.926 29.180 -18.136 1.00 1.00 C ATOM 1535 CG1 VAL A 102 9.170 30.286 -17.140 1.00 1.00 C ATOM 1536 CG2 VAL A 102 7.534 28.614 -17.992 1.00 1.00 C ATOM 0 H VAL A 102 11.076 28.736 -19.461 1.00 1.00 H new ATOM 0 HA VAL A 102 8.297 29.154 -20.177 1.00 1.00 H new ATOM 0 HB VAL A 102 9.684 28.437 -17.885 1.00 1.00 H new ATOM 0 HG11 VAL A 102 8.982 29.916 -16.132 1.00 1.00 H new ATOM 0 HG12 VAL A 102 10.204 30.623 -17.216 1.00 1.00 H new ATOM 0 HG13 VAL A 102 8.500 31.120 -17.351 1.00 1.00 H new ATOM 0 HG21 VAL A 102 7.357 28.343 -16.951 1.00 1.00 H new ATOM 0 HG22 VAL A 102 6.803 29.361 -18.302 1.00 1.00 H new ATOM 0 HG23 VAL A 102 7.435 27.728 -18.619 1.00 1.00 H new ATOM 1546 N GLU A 103 8.311 31.837 -19.234 1.00 1.00 N ATOM 1547 CA GLU A 103 8.232 33.271 -19.428 1.00 1.00 C ATOM 1548 C GLU A 103 7.584 33.881 -18.210 1.00 1.00 C ATOM 1549 O GLU A 103 6.997 33.162 -17.407 1.00 1.00 O ATOM 1550 CB GLU A 103 7.406 33.606 -20.667 1.00 1.00 C ATOM 1551 CG GLU A 103 5.979 33.113 -20.595 1.00 1.00 C ATOM 1552 CD GLU A 103 5.229 33.371 -21.878 1.00 1.00 C ATOM 1553 OE1 GLU A 103 5.322 32.533 -22.796 1.00 1.00 O ATOM 1554 OE2 GLU A 103 4.559 34.424 -21.972 1.00 1.00 O ATOM 0 H GLU A 103 7.668 31.474 -18.531 1.00 1.00 H new ATOM 0 HA GLU A 103 9.236 33.672 -19.570 1.00 1.00 H new ATOM 0 HB2 GLU A 103 7.401 34.687 -20.809 1.00 1.00 H new ATOM 0 HB3 GLU A 103 7.888 33.172 -21.543 1.00 1.00 H new ATOM 0 HG2 GLU A 103 5.975 32.044 -20.381 1.00 1.00 H new ATOM 0 HG3 GLU A 103 5.466 33.606 -19.769 1.00 1.00 H new ATOM 1561 N ALA A 104 7.670 35.195 -18.081 1.00 1.00 N ATOM 1562 CA ALA A 104 7.176 35.872 -16.889 1.00 1.00 C ATOM 1563 C ALA A 104 5.671 35.711 -16.734 1.00 1.00 C ATOM 1564 O ALA A 104 5.136 35.876 -15.639 1.00 1.00 O ATOM 1565 CB ALA A 104 7.564 37.340 -16.907 1.00 1.00 C ATOM 0 H ALA A 104 8.075 35.814 -18.783 1.00 1.00 H new ATOM 0 HA ALA A 104 7.645 35.401 -16.025 1.00 1.00 H new ATOM 0 HB1 ALA A 104 7.186 37.827 -16.008 1.00 1.00 H new ATOM 0 HB2 ALA A 104 8.650 37.429 -16.938 1.00 1.00 H new ATOM 0 HB3 ALA A 104 7.135 37.819 -17.787 1.00 1.00 H new ATOM 1571 N ALA A 105 4.985 35.488 -17.848 1.00 1.00 N ATOM 1572 CA ALA A 105 3.558 35.216 -17.808 1.00 1.00 C ATOM 1573 C ALA A 105 3.284 33.973 -16.970 1.00 1.00 C ATOM 1574 O ALA A 105 2.304 33.908 -16.233 1.00 1.00 O ATOM 1575 CB ALA A 105 3.007 35.034 -19.214 1.00 1.00 C ATOM 0 H ALA A 105 5.392 35.490 -18.783 1.00 1.00 H new ATOM 0 HA ALA A 105 3.057 36.069 -17.350 1.00 1.00 H new ATOM 0 HB1 ALA A 105 1.937 34.831 -19.162 1.00 1.00 H new ATOM 0 HB2 ALA A 105 3.177 35.943 -19.792 1.00 1.00 H new ATOM 0 HB3 ALA A 105 3.512 34.197 -19.697 1.00 1.00 H new ATOM 1581 N ARG A 106 4.191 33.005 -17.067 1.00 1.00 N ATOM 1582 CA ARG A 106 4.030 31.737 -16.372 1.00 1.00 C ATOM 1583 C ARG A 106 4.817 31.715 -15.079 1.00 1.00 C ATOM 1584 O ARG A 106 4.321 31.266 -14.053 1.00 1.00 O ATOM 1585 CB ARG A 106 4.499 30.574 -17.238 1.00 1.00 C ATOM 1586 CG ARG A 106 4.240 30.774 -18.724 1.00 1.00 C ATOM 1587 CD ARG A 106 4.259 29.450 -19.464 1.00 1.00 C ATOM 1588 NE ARG A 106 3.187 29.342 -20.461 1.00 1.00 N ATOM 1589 CZ ARG A 106 1.881 29.281 -20.162 1.00 1.00 C ATOM 1590 NH1 ARG A 106 1.465 29.458 -18.918 1.00 1.00 N ATOM 1591 NH2 ARG A 106 0.984 29.048 -21.111 1.00 1.00 N ATOM 0 H ARG A 106 5.044 33.077 -17.621 1.00 1.00 H new ATOM 0 HA ARG A 106 2.967 31.631 -16.155 1.00 1.00 H new ATOM 0 HB2 ARG A 106 5.567 30.424 -17.081 1.00 1.00 H new ATOM 0 HB3 ARG A 106 3.998 29.663 -16.910 1.00 1.00 H new ATOM 0 HG2 ARG A 106 3.275 31.260 -18.866 1.00 1.00 H new ATOM 0 HG3 ARG A 106 4.996 31.439 -19.142 1.00 1.00 H new ATOM 0 HD2 ARG A 106 5.223 29.329 -19.958 1.00 1.00 H new ATOM 0 HD3 ARG A 106 4.165 28.636 -18.746 1.00 1.00 H new ATOM 0 HE ARG A 106 3.453 29.311 -21.445 1.00 1.00 H new ATOM 0 HH11 ARG A 106 2.140 29.643 -18.176 1.00 1.00 H new ATOM 0 HH12 ARG A 106 0.469 29.410 -18.701 1.00 1.00 H new ATOM 0 HH21 ARG A 106 1.286 28.914 -22.076 1.00 1.00 H new ATOM 0 HH22 ARG A 106 -0.007 29.003 -20.876 1.00 1.00 H new ATOM 1605 N VAL A 107 6.042 32.218 -15.122 1.00 1.00 N ATOM 1606 CA VAL A 107 6.904 32.172 -13.961 1.00 1.00 C ATOM 1607 C VAL A 107 6.492 33.281 -12.979 1.00 1.00 C ATOM 1608 O VAL A 107 6.478 34.462 -13.330 1.00 1.00 O ATOM 1609 CB VAL A 107 8.396 32.335 -14.350 1.00 1.00 C ATOM 1610 CG1 VAL A 107 8.695 33.730 -14.841 1.00 1.00 C ATOM 1611 CG2 VAL A 107 9.287 31.959 -13.180 1.00 1.00 C ATOM 0 H VAL A 107 6.455 32.659 -15.944 1.00 1.00 H new ATOM 0 HA VAL A 107 6.792 31.196 -13.489 1.00 1.00 H new ATOM 0 HB VAL A 107 8.606 31.656 -15.177 1.00 1.00 H new ATOM 0 HG11 VAL A 107 9.750 33.805 -15.104 1.00 1.00 H new ATOM 0 HG12 VAL A 107 8.086 33.945 -15.719 1.00 1.00 H new ATOM 0 HG13 VAL A 107 8.465 34.449 -14.055 1.00 1.00 H new ATOM 0 HG21 VAL A 107 10.332 32.078 -13.466 1.00 1.00 H new ATOM 0 HG22 VAL A 107 9.067 32.607 -12.332 1.00 1.00 H new ATOM 0 HG23 VAL A 107 9.103 30.922 -12.901 1.00 1.00 H new ATOM 1621 N ARG A 108 6.073 32.909 -11.784 1.00 1.00 N ATOM 1622 CA ARG A 108 5.625 33.895 -10.812 1.00 1.00 C ATOM 1623 C ARG A 108 6.189 33.576 -9.437 1.00 1.00 C ATOM 1624 O ARG A 108 6.408 32.419 -9.097 1.00 1.00 O ATOM 1625 CB ARG A 108 4.088 33.944 -10.735 1.00 1.00 C ATOM 1626 CG ARG A 108 3.383 33.970 -12.083 1.00 1.00 C ATOM 1627 CD ARG A 108 3.641 35.262 -12.839 1.00 1.00 C ATOM 1628 NE ARG A 108 2.789 36.358 -12.384 1.00 1.00 N ATOM 1629 CZ ARG A 108 2.774 37.562 -12.952 1.00 1.00 C ATOM 1630 NH1 ARG A 108 3.575 37.823 -13.977 1.00 1.00 N ATOM 1631 NH2 ARG A 108 1.949 38.499 -12.505 1.00 1.00 N ATOM 0 H ARG A 108 6.033 31.942 -11.463 1.00 1.00 H new ATOM 0 HA ARG A 108 5.989 34.869 -11.138 1.00 1.00 H new ATOM 0 HB2 ARG A 108 3.738 33.077 -10.174 1.00 1.00 H new ATOM 0 HB3 ARG A 108 3.794 34.829 -10.170 1.00 1.00 H new ATOM 0 HG2 ARG A 108 3.720 33.126 -12.684 1.00 1.00 H new ATOM 0 HG3 ARG A 108 2.310 33.846 -11.933 1.00 1.00 H new ATOM 0 HD2 ARG A 108 4.687 35.546 -12.720 1.00 1.00 H new ATOM 0 HD3 ARG A 108 3.475 35.095 -13.903 1.00 1.00 H new ATOM 0 HE ARG A 108 2.173 36.192 -11.588 1.00 1.00 H new ATOM 0 HH11 ARG A 108 4.203 37.101 -14.330 1.00 1.00 H new ATOM 0 HH12 ARG A 108 3.563 38.746 -14.412 1.00 1.00 H new ATOM 0 HH21 ARG A 108 1.324 38.298 -11.724 1.00 1.00 H new ATOM 0 HH22 ARG A 108 1.939 39.421 -12.942 1.00 1.00 H new ATOM 1645 N MET A 109 6.447 34.611 -8.668 1.00 1.00 N ATOM 1646 CA MET A 109 6.979 34.454 -7.321 1.00 1.00 C ATOM 1647 C MET A 109 5.876 34.053 -6.361 1.00 1.00 C ATOM 1648 O MET A 109 4.792 34.626 -6.399 1.00 1.00 O ATOM 1649 CB MET A 109 7.626 35.756 -6.854 1.00 1.00 C ATOM 1650 CG MET A 109 8.846 36.140 -7.659 1.00 1.00 C ATOM 1651 SD MET A 109 10.198 34.972 -7.440 1.00 1.00 S ATOM 1652 CE MET A 109 10.370 35.014 -5.659 1.00 1.00 C ATOM 0 H MET A 109 6.297 35.580 -8.950 1.00 1.00 H new ATOM 0 HA MET A 109 7.734 33.668 -7.337 1.00 1.00 H new ATOM 0 HB2 MET A 109 6.892 36.560 -6.914 1.00 1.00 H new ATOM 0 HB3 MET A 109 7.907 35.658 -5.805 1.00 1.00 H new ATOM 0 HG2 MET A 109 8.581 36.193 -8.715 1.00 1.00 H new ATOM 0 HG3 MET A 109 9.176 37.136 -7.363 1.00 1.00 H new ATOM 0 HE1 MET A 109 11.381 34.712 -5.384 1.00 1.00 H new ATOM 0 HE2 MET A 109 10.183 36.026 -5.299 1.00 1.00 H new ATOM 0 HE3 MET A 109 9.651 34.330 -5.208 1.00 1.00 H new ATOM 1662 N LEU A 110 6.164 33.108 -5.475 1.00 1.00 N ATOM 1663 CA LEU A 110 5.183 32.647 -4.495 1.00 1.00 C ATOM 1664 C LEU A 110 4.648 33.810 -3.657 1.00 1.00 C ATOM 1665 O LEU A 110 3.439 34.016 -3.575 1.00 1.00 O ATOM 1666 CB LEU A 110 5.819 31.558 -3.602 1.00 1.00 C ATOM 1667 CG LEU A 110 4.888 30.862 -2.589 1.00 1.00 C ATOM 1668 CD1 LEU A 110 4.735 31.689 -1.320 1.00 1.00 C ATOM 1669 CD2 LEU A 110 3.523 30.585 -3.208 1.00 1.00 C ATOM 0 H LEU A 110 7.070 32.644 -5.413 1.00 1.00 H new ATOM 0 HA LEU A 110 4.332 32.217 -5.023 1.00 1.00 H new ATOM 0 HB2 LEU A 110 6.248 30.794 -4.250 1.00 1.00 H new ATOM 0 HB3 LEU A 110 6.645 32.009 -3.051 1.00 1.00 H new ATOM 0 HG LEU A 110 5.347 29.911 -2.320 1.00 1.00 H new ATOM 0 HD11 LEU A 110 4.073 31.171 -0.626 1.00 1.00 H new ATOM 0 HD12 LEU A 110 5.711 31.827 -0.856 1.00 1.00 H new ATOM 0 HD13 LEU A 110 4.311 32.662 -1.569 1.00 1.00 H new ATOM 0 HD21 LEU A 110 2.884 30.094 -2.474 1.00 1.00 H new ATOM 0 HD22 LEU A 110 3.066 31.525 -3.516 1.00 1.00 H new ATOM 0 HD23 LEU A 110 3.642 29.938 -4.077 1.00 1.00 H new ATOM 1681 N ARG A 111 5.547 34.629 -3.126 1.00 1.00 N ATOM 1682 CA ARG A 111 5.135 35.744 -2.283 1.00 1.00 C ATOM 1683 C ARG A 111 4.476 36.842 -3.112 1.00 1.00 C ATOM 1684 O ARG A 111 3.853 37.751 -2.575 1.00 1.00 O ATOM 1685 CB ARG A 111 6.322 36.319 -1.505 1.00 1.00 C ATOM 1686 CG ARG A 111 5.872 37.243 -0.380 1.00 1.00 C ATOM 1687 CD ARG A 111 7.029 37.943 0.315 1.00 1.00 C ATOM 1688 NE ARG A 111 6.617 38.473 1.617 1.00 1.00 N ATOM 1689 CZ ARG A 111 7.390 38.490 2.705 1.00 1.00 C ATOM 1690 NH1 ARG A 111 8.669 38.151 2.630 1.00 1.00 N ATOM 1691 NH2 ARG A 111 6.882 38.886 3.865 1.00 1.00 N ATOM 0 H ARG A 111 6.554 34.544 -3.262 1.00 1.00 H new ATOM 0 HA ARG A 111 4.407 35.360 -1.569 1.00 1.00 H new ATOM 0 HB2 ARG A 111 6.913 35.503 -1.090 1.00 1.00 H new ATOM 0 HB3 ARG A 111 6.971 36.868 -2.187 1.00 1.00 H new ATOM 0 HG2 ARG A 111 5.191 37.993 -0.784 1.00 1.00 H new ATOM 0 HG3 ARG A 111 5.311 36.665 0.354 1.00 1.00 H new ATOM 0 HD2 ARG A 111 7.855 37.244 0.448 1.00 1.00 H new ATOM 0 HD3 ARG A 111 7.397 38.755 -0.312 1.00 1.00 H new ATOM 0 HE ARG A 111 5.675 38.855 1.698 1.00 1.00 H new ATOM 0 HH11 ARG A 111 9.071 37.874 1.735 1.00 1.00 H new ATOM 0 HH12 ARG A 111 9.251 38.167 3.468 1.00 1.00 H new ATOM 0 HH21 ARG A 111 5.906 39.175 3.922 1.00 1.00 H new ATOM 0 HH22 ARG A 111 7.468 38.901 4.700 1.00 1.00 H new ATOM 1705 N SER A 112 4.595 36.747 -4.429 1.00 1.00 N ATOM 1706 CA SER A 112 4.001 37.742 -5.307 1.00 1.00 C ATOM 1707 C SER A 112 2.494 37.542 -5.406 1.00 1.00 C ATOM 1708 O SER A 112 1.799 38.372 -5.991 1.00 1.00 O ATOM 1709 CB SER A 112 4.656 37.709 -6.698 1.00 1.00 C ATOM 1710 OG SER A 112 3.963 38.520 -7.630 1.00 1.00 O ATOM 0 H SER A 112 5.093 35.997 -4.909 1.00 1.00 H new ATOM 0 HA SER A 112 4.183 38.727 -4.877 1.00 1.00 H new ATOM 0 HB2 SER A 112 5.689 38.048 -6.620 1.00 1.00 H new ATOM 0 HB3 SER A 112 4.684 36.682 -7.061 1.00 1.00 H new ATOM 0 HG SER A 112 3.110 38.808 -7.242 1.00 1.00 H new ATOM 1716 N PHE A 113 1.978 36.429 -4.878 1.00 1.00 N ATOM 1717 CA PHE A 113 0.544 36.181 -4.864 1.00 1.00 C ATOM 1718 C PHE A 113 -0.069 36.686 -3.563 1.00 1.00 C ATOM 1719 O PHE A 113 -1.277 36.915 -3.472 1.00 1.00 O ATOM 1720 CB PHE A 113 0.304 34.673 -4.976 1.00 1.00 C ATOM 1721 CG PHE A 113 0.728 34.071 -6.283 1.00 1.00 C ATOM 1722 CD1 PHE A 113 -0.100 34.137 -7.386 1.00 1.00 C ATOM 1723 CD2 PHE A 113 1.946 33.424 -6.402 1.00 1.00 C ATOM 1724 CE1 PHE A 113 0.276 33.572 -8.587 1.00 1.00 C ATOM 1725 CE2 PHE A 113 2.330 32.854 -7.600 1.00 1.00 C ATOM 1726 CZ PHE A 113 1.493 32.927 -8.695 1.00 1.00 C ATOM 0 H PHE A 113 2.537 35.688 -4.455 1.00 1.00 H new ATOM 0 HA PHE A 113 0.081 36.705 -5.700 1.00 1.00 H new ATOM 0 HB2 PHE A 113 0.839 34.172 -4.169 1.00 1.00 H new ATOM 0 HB3 PHE A 113 -0.757 34.475 -4.826 1.00 1.00 H new ATOM 0 HD1 PHE A 113 -1.054 34.637 -7.307 1.00 1.00 H new ATOM 0 HD2 PHE A 113 2.604 33.364 -5.548 1.00 1.00 H new ATOM 0 HE1 PHE A 113 -0.381 33.634 -9.442 1.00 1.00 H new ATOM 0 HE2 PHE A 113 3.283 32.352 -7.680 1.00 1.00 H new ATOM 0 HZ PHE A 113 1.788 32.481 -9.633 1.00 1.00 H new ATOM 1736 N ASP A 114 0.790 36.852 -2.568 1.00 1.00 N ATOM 1737 CA ASP A 114 0.385 37.269 -1.229 1.00 1.00 C ATOM 1738 C ASP A 114 -0.285 38.638 -1.244 1.00 1.00 C ATOM 1739 O ASP A 114 0.274 39.603 -1.758 1.00 1.00 O ATOM 1740 CB ASP A 114 1.618 37.299 -0.314 1.00 1.00 C ATOM 1741 CG ASP A 114 1.320 37.806 1.084 1.00 1.00 C ATOM 1742 OD1 ASP A 114 0.186 37.621 1.565 1.00 1.00 O ATOM 1743 OD2 ASP A 114 2.228 38.399 1.704 1.00 1.00 O ATOM 0 H ASP A 114 1.794 36.701 -2.665 1.00 1.00 H new ATOM 0 HA ASP A 114 -0.343 36.551 -0.852 1.00 1.00 H new ATOM 0 HB2 ASP A 114 2.035 36.294 -0.247 1.00 1.00 H new ATOM 0 HB3 ASP A 114 2.382 37.932 -0.767 1.00 1.00 H new ATOM 2056 N GLU A 136 7.261 27.080 10.475 1.00 1.00 N ATOM 2057 CA GLU A 136 5.871 27.505 10.426 1.00 1.00 C ATOM 2058 C GLU A 136 5.767 28.944 9.934 1.00 1.00 C ATOM 2059 O GLU A 136 4.701 29.393 9.520 1.00 1.00 O ATOM 2060 CB GLU A 136 5.202 27.328 11.789 1.00 1.00 C ATOM 2061 CG GLU A 136 5.207 25.881 12.256 1.00 1.00 C ATOM 2062 CD GLU A 136 4.020 25.531 13.128 1.00 1.00 C ATOM 2063 OE1 GLU A 136 2.972 25.150 12.571 1.00 1.00 O ATOM 2064 OE2 GLU A 136 4.140 25.603 14.366 1.00 1.00 O ATOM 0 HA GLU A 136 5.340 26.872 9.715 1.00 1.00 H new ATOM 0 HB2 GLU A 136 5.716 27.946 12.525 1.00 1.00 H new ATOM 0 HB3 GLU A 136 4.174 27.685 11.735 1.00 1.00 H new ATOM 0 HG2 GLU A 136 5.216 25.225 11.385 1.00 1.00 H new ATOM 0 HG3 GLU A 136 6.126 25.688 12.810 1.00 1.00 H new ATOM 2071 N GLU A 137 6.882 29.662 9.984 1.00 1.00 N ATOM 2072 CA GLU A 137 6.942 31.010 9.438 1.00 1.00 C ATOM 2073 C GLU A 137 6.724 30.933 7.933 1.00 1.00 C ATOM 2074 O GLU A 137 5.886 31.632 7.375 1.00 1.00 O ATOM 2075 CB GLU A 137 8.291 31.653 9.746 1.00 1.00 C ATOM 2076 CG GLU A 137 8.413 33.084 9.260 1.00 1.00 C ATOM 2077 CD GLU A 137 7.517 34.046 10.020 1.00 1.00 C ATOM 2078 OE1 GLU A 137 7.852 34.388 11.175 1.00 1.00 O ATOM 2079 OE2 GLU A 137 6.479 34.467 9.470 1.00 1.00 O ATOM 0 H GLU A 137 7.755 29.333 10.396 1.00 1.00 H new ATOM 0 HA GLU A 137 6.166 31.625 9.894 1.00 1.00 H new ATOM 0 HB2 GLU A 137 8.456 31.630 10.823 1.00 1.00 H new ATOM 0 HB3 GLU A 137 9.080 31.056 9.289 1.00 1.00 H new ATOM 0 HG2 GLU A 137 9.449 33.408 9.357 1.00 1.00 H new ATOM 0 HG3 GLU A 137 8.164 33.124 8.200 1.00 1.00 H new ATOM 2086 N VAL A 138 7.454 30.020 7.301 1.00 1.00 N ATOM 2087 CA VAL A 138 7.305 29.757 5.871 1.00 1.00 C ATOM 2088 C VAL A 138 5.889 29.259 5.585 1.00 1.00 C ATOM 2089 O VAL A 138 5.286 29.602 4.570 1.00 1.00 O ATOM 2090 CB VAL A 138 8.323 28.706 5.413 1.00 1.00 C ATOM 2091 CG1 VAL A 138 8.036 28.213 4.003 1.00 1.00 C ATOM 2092 CG2 VAL A 138 9.743 29.241 5.528 1.00 1.00 C ATOM 0 H VAL A 138 8.161 29.445 7.760 1.00 1.00 H new ATOM 0 HA VAL A 138 7.484 30.682 5.323 1.00 1.00 H new ATOM 0 HB VAL A 138 8.226 27.848 6.078 1.00 1.00 H new ATOM 0 HG11 VAL A 138 8.781 27.470 3.719 1.00 1.00 H new ATOM 0 HG12 VAL A 138 7.044 27.763 3.970 1.00 1.00 H new ATOM 0 HG13 VAL A 138 8.077 29.052 3.309 1.00 1.00 H new ATOM 0 HG21 VAL A 138 10.447 28.478 5.197 1.00 1.00 H new ATOM 0 HG22 VAL A 138 9.849 30.128 4.903 1.00 1.00 H new ATOM 0 HG23 VAL A 138 9.951 29.501 6.566 1.00 1.00 H new ATOM 2102 N PHE A 139 5.392 28.420 6.486 1.00 1.00 N ATOM 2103 CA PHE A 139 4.022 27.921 6.409 1.00 1.00 C ATOM 2104 C PHE A 139 3.065 29.104 6.302 1.00 1.00 C ATOM 2105 O PHE A 139 2.158 29.112 5.466 1.00 1.00 O ATOM 2106 CB PHE A 139 3.704 27.050 7.637 1.00 1.00 C ATOM 2107 CG PHE A 139 2.309 26.491 7.668 1.00 1.00 C ATOM 2108 CD1 PHE A 139 1.258 27.240 8.172 1.00 1.00 C ATOM 2109 CD2 PHE A 139 2.054 25.208 7.203 1.00 1.00 C ATOM 2110 CE1 PHE A 139 -0.021 26.725 8.208 1.00 1.00 C ATOM 2111 CE2 PHE A 139 0.777 24.688 7.241 1.00 1.00 C ATOM 2112 CZ PHE A 139 -0.262 25.448 7.742 1.00 1.00 C ATOM 0 H PHE A 139 5.921 28.068 7.284 1.00 1.00 H new ATOM 0 HA PHE A 139 3.904 27.296 5.524 1.00 1.00 H new ATOM 0 HB2 PHE A 139 4.413 26.223 7.672 1.00 1.00 H new ATOM 0 HB3 PHE A 139 3.863 27.644 8.537 1.00 1.00 H new ATOM 0 HD1 PHE A 139 1.442 28.238 8.541 1.00 1.00 H new ATOM 0 HD2 PHE A 139 2.863 24.612 6.808 1.00 1.00 H new ATOM 0 HE1 PHE A 139 -0.833 27.320 8.600 1.00 1.00 H new ATOM 0 HE2 PHE A 139 0.590 23.688 6.879 1.00 1.00 H new ATOM 0 HZ PHE A 139 -1.263 25.043 7.769 1.00 1.00 H new ATOM 2122 N ALA A 140 3.353 30.141 7.083 1.00 1.00 N ATOM 2123 CA ALA A 140 2.572 31.365 7.061 1.00 1.00 C ATOM 2124 C ALA A 140 2.763 32.100 5.740 1.00 1.00 C ATOM 2125 O ALA A 140 1.816 32.648 5.184 1.00 1.00 O ATOM 2126 CB ALA A 140 2.963 32.259 8.222 1.00 1.00 C ATOM 0 H ALA A 140 4.130 30.153 7.744 1.00 1.00 H new ATOM 0 HA ALA A 140 1.519 31.103 7.160 1.00 1.00 H new ATOM 0 HB1 ALA A 140 2.370 33.173 8.193 1.00 1.00 H new ATOM 0 HB2 ALA A 140 2.780 31.737 9.161 1.00 1.00 H new ATOM 0 HB3 ALA A 140 4.021 32.511 8.147 1.00 1.00 H new ATOM 2132 N VAL A 141 3.999 32.108 5.242 1.00 1.00 N ATOM 2133 CA VAL A 141 4.310 32.733 3.956 1.00 1.00 C ATOM 2134 C VAL A 141 3.431 32.141 2.870 1.00 1.00 C ATOM 2135 O VAL A 141 2.754 32.847 2.124 1.00 1.00 O ATOM 2136 CB VAL A 141 5.784 32.488 3.537 1.00 1.00 C ATOM 2137 CG1 VAL A 141 6.171 33.338 2.338 1.00 1.00 C ATOM 2138 CG2 VAL A 141 6.757 32.694 4.692 1.00 1.00 C ATOM 0 H VAL A 141 4.802 31.688 5.710 1.00 1.00 H new ATOM 0 HA VAL A 141 4.137 33.803 4.073 1.00 1.00 H new ATOM 0 HB VAL A 141 5.854 31.441 3.243 1.00 1.00 H new ATOM 0 HG11 VAL A 141 7.210 33.141 2.072 1.00 1.00 H new ATOM 0 HG12 VAL A 141 5.527 33.091 1.494 1.00 1.00 H new ATOM 0 HG13 VAL A 141 6.054 34.393 2.587 1.00 1.00 H new ATOM 0 HG21 VAL A 141 7.775 32.511 4.347 1.00 1.00 H new ATOM 0 HG22 VAL A 141 6.676 33.718 5.057 1.00 1.00 H new ATOM 0 HG23 VAL A 141 6.517 32.001 5.498 1.00 1.00 H new ATOM 2148 N ILE A 142 3.432 30.826 2.816 1.00 1.00 N ATOM 2149 CA ILE A 142 2.675 30.095 1.826 1.00 1.00 C ATOM 2150 C ILE A 142 1.176 30.281 2.011 1.00 1.00 C ATOM 2151 O ILE A 142 0.475 30.593 1.055 1.00 1.00 O ATOM 2152 CB ILE A 142 3.027 28.604 1.887 1.00 1.00 C ATOM 2153 CG1 ILE A 142 4.451 28.398 1.370 1.00 1.00 C ATOM 2154 CG2 ILE A 142 2.028 27.773 1.099 1.00 1.00 C ATOM 2155 CD1 ILE A 142 5.231 27.376 2.152 1.00 1.00 C ATOM 0 H ILE A 142 3.959 30.234 3.459 1.00 1.00 H new ATOM 0 HA ILE A 142 2.943 30.493 0.847 1.00 1.00 H new ATOM 0 HB ILE A 142 2.976 28.268 2.923 1.00 1.00 H new ATOM 0 HG12 ILE A 142 4.409 28.090 0.325 1.00 1.00 H new ATOM 0 HG13 ILE A 142 4.981 29.350 1.401 1.00 1.00 H new ATOM 0 HG21 ILE A 142 2.303 26.720 1.160 1.00 1.00 H new ATOM 0 HG22 ILE A 142 1.030 27.913 1.515 1.00 1.00 H new ATOM 0 HG23 ILE A 142 2.034 28.090 0.056 1.00 1.00 H new ATOM 0 HD11 ILE A 142 6.232 27.281 1.730 1.00 1.00 H new ATOM 0 HD12 ILE A 142 5.304 27.692 3.192 1.00 1.00 H new ATOM 0 HD13 ILE A 142 4.723 26.413 2.101 1.00 1.00 H new ATOM 2167 N GLU A 143 0.686 30.053 3.226 1.00 1.00 N ATOM 2168 CA GLU A 143 -0.743 30.209 3.500 1.00 1.00 C ATOM 2169 C GLU A 143 -1.210 31.611 3.101 1.00 1.00 C ATOM 2170 O GLU A 143 -2.341 31.792 2.653 1.00 1.00 O ATOM 2171 CB GLU A 143 -1.069 29.939 4.976 1.00 1.00 C ATOM 2172 CG GLU A 143 -0.679 31.069 5.907 1.00 1.00 C ATOM 2173 CD GLU A 143 -1.237 30.910 7.303 1.00 1.00 C ATOM 2174 OE1 GLU A 143 -2.438 31.198 7.499 1.00 1.00 O ATOM 2175 OE2 GLU A 143 -0.480 30.522 8.215 1.00 1.00 O ATOM 0 H GLU A 143 1.246 29.764 4.028 1.00 1.00 H new ATOM 0 HA GLU A 143 -1.278 29.471 2.902 1.00 1.00 H new ATOM 0 HB2 GLU A 143 -2.139 29.753 5.074 1.00 1.00 H new ATOM 0 HB3 GLU A 143 -0.558 29.029 5.290 1.00 1.00 H new ATOM 0 HG2 GLU A 143 0.408 31.127 5.962 1.00 1.00 H new ATOM 0 HG3 GLU A 143 -1.028 32.013 5.488 1.00 1.00 H new ATOM 2182 N SER A 144 -0.319 32.586 3.246 1.00 1.00 N ATOM 2183 CA SER A 144 -0.626 33.967 2.912 1.00 1.00 C ATOM 2184 C SER A 144 -0.670 34.153 1.400 1.00 1.00 C ATOM 2185 O SER A 144 -1.382 35.005 0.888 1.00 1.00 O ATOM 2186 CB SER A 144 0.413 34.902 3.533 1.00 1.00 C ATOM 2187 OG SER A 144 -0.113 36.205 3.730 1.00 1.00 O ATOM 0 H SER A 144 0.628 32.441 3.596 1.00 1.00 H new ATOM 0 HA SER A 144 -1.607 34.214 3.318 1.00 1.00 H new ATOM 0 HB2 SER A 144 0.746 34.495 4.488 1.00 1.00 H new ATOM 0 HB3 SER A 144 1.289 34.956 2.886 1.00 1.00 H new ATOM 0 HG SER A 144 -0.307 36.614 2.861 1.00 1.00 H new ATOM 2193 N ALA A 145 0.118 33.357 0.694 1.00 1.00 N ATOM 2194 CA ALA A 145 0.167 33.433 -0.761 1.00 1.00 C ATOM 2195 C ALA A 145 -0.904 32.589 -1.397 1.00 1.00 C ATOM 2196 O ALA A 145 -1.278 32.825 -2.543 1.00 1.00 O ATOM 2197 CB ALA A 145 1.509 32.993 -1.310 1.00 1.00 C ATOM 0 H ALA A 145 0.732 32.652 1.102 1.00 1.00 H new ATOM 0 HA ALA A 145 0.004 34.482 -1.008 1.00 1.00 H new ATOM 0 HB1 ALA A 145 1.499 33.066 -2.397 1.00 1.00 H new ATOM 0 HB2 ALA A 145 2.294 33.635 -0.910 1.00 1.00 H new ATOM 0 HB3 ALA A 145 1.701 31.961 -1.018 1.00 1.00 H new ATOM 2203 N LEU A 146 -1.397 31.594 -0.677 1.00 1.00 N ATOM 2204 CA LEU A 146 -2.416 30.714 -1.217 1.00 1.00 C ATOM 2205 C LEU A 146 -3.636 31.474 -1.743 1.00 1.00 C ATOM 2206 O LEU A 146 -4.114 31.160 -2.825 1.00 1.00 O ATOM 2207 CB LEU A 146 -2.848 29.687 -0.172 1.00 1.00 C ATOM 2208 CG LEU A 146 -1.752 28.726 0.271 1.00 1.00 C ATOM 2209 CD1 LEU A 146 -2.357 27.487 0.891 1.00 1.00 C ATOM 2210 CD2 LEU A 146 -0.858 28.365 -0.901 1.00 1.00 C ATOM 0 H LEU A 146 -1.109 31.378 0.277 1.00 1.00 H new ATOM 0 HA LEU A 146 -1.966 30.200 -2.067 1.00 1.00 H new ATOM 0 HB2 LEU A 146 -3.223 30.216 0.704 1.00 1.00 H new ATOM 0 HB3 LEU A 146 -3.679 29.108 -0.574 1.00 1.00 H new ATOM 0 HG LEU A 146 -1.139 29.219 1.025 1.00 1.00 H new ATOM 0 HD11 LEU A 146 -1.561 26.810 1.202 1.00 1.00 H new ATOM 0 HD12 LEU A 146 -2.954 27.769 1.758 1.00 1.00 H new ATOM 0 HD13 LEU A 146 -2.993 26.988 0.160 1.00 1.00 H new ATOM 0 HD21 LEU A 146 -0.080 27.678 -0.567 1.00 1.00 H new ATOM 0 HD22 LEU A 146 -1.454 27.889 -1.680 1.00 1.00 H new ATOM 0 HD23 LEU A 146 -0.397 29.269 -1.299 1.00 1.00 H new ATOM 2222 N PRO A 147 -4.127 32.520 -1.037 1.00 1.00 N ATOM 2223 CA PRO A 147 -5.298 33.287 -1.480 1.00 1.00 C ATOM 2224 C PRO A 147 -5.004 34.096 -2.736 1.00 1.00 C ATOM 2225 O PRO A 147 -5.907 34.613 -3.386 1.00 1.00 O ATOM 2226 CB PRO A 147 -5.581 34.220 -0.302 1.00 1.00 C ATOM 2227 CG PRO A 147 -4.256 34.391 0.346 1.00 1.00 C ATOM 2228 CD PRO A 147 -3.579 33.066 0.217 1.00 1.00 C ATOM 0 HA PRO A 147 -6.138 32.642 -1.738 1.00 1.00 H new ATOM 0 HB2 PRO A 147 -5.988 35.174 -0.637 1.00 1.00 H new ATOM 0 HB3 PRO A 147 -6.308 33.787 0.385 1.00 1.00 H new ATOM 0 HG2 PRO A 147 -3.679 35.177 -0.141 1.00 1.00 H new ATOM 0 HG3 PRO A 147 -4.364 34.677 1.392 1.00 1.00 H new ATOM 0 HD2 PRO A 147 -2.495 33.172 0.169 1.00 1.00 H new ATOM 0 HD3 PRO A 147 -3.798 32.419 1.066 1.00 1.00 H new ATOM 2236 N GLY A 148 -3.741 34.099 -3.109 1.00 1.00 N ATOM 2237 CA GLY A 148 -3.317 34.794 -4.300 1.00 1.00 C ATOM 2238 C GLY A 148 -2.952 33.806 -5.378 1.00 1.00 C ATOM 2239 O GLY A 148 -3.228 34.016 -6.556 1.00 1.00 O ATOM 0 H GLY A 148 -2.992 33.627 -2.602 1.00 1.00 H new ATOM 0 HA2 GLY A 148 -4.115 35.448 -4.651 1.00 1.00 H new ATOM 0 HA3 GLY A 148 -2.461 35.429 -4.074 1.00 1.00 H new ATOM 2243 N LEU A 149 -2.414 32.676 -4.943 1.00 1.00 N ATOM 2244 CA LEU A 149 -2.000 31.618 -5.843 1.00 1.00 C ATOM 2245 C LEU A 149 -3.228 30.885 -6.356 1.00 1.00 C ATOM 2246 O LEU A 149 -3.425 30.743 -7.558 1.00 1.00 O ATOM 2247 CB LEU A 149 -1.070 30.636 -5.112 1.00 1.00 C ATOM 2248 CG LEU A 149 0.148 30.179 -5.909 1.00 1.00 C ATOM 2249 CD1 LEU A 149 0.733 28.915 -5.312 1.00 1.00 C ATOM 2250 CD2 LEU A 149 -0.218 29.955 -7.355 1.00 1.00 C ATOM 0 H LEU A 149 -2.254 32.470 -3.957 1.00 1.00 H new ATOM 0 HA LEU A 149 -1.458 32.051 -6.684 1.00 1.00 H new ATOM 0 HB2 LEU A 149 -0.726 31.104 -4.190 1.00 1.00 H new ATOM 0 HB3 LEU A 149 -1.648 29.757 -4.827 1.00 1.00 H new ATOM 0 HG LEU A 149 0.902 30.965 -5.860 1.00 1.00 H new ATOM 0 HD11 LEU A 149 1.601 28.605 -5.895 1.00 1.00 H new ATOM 0 HD12 LEU A 149 1.036 29.105 -4.283 1.00 1.00 H new ATOM 0 HD13 LEU A 149 -0.017 28.124 -5.329 1.00 1.00 H new ATOM 0 HD21 LEU A 149 0.664 29.630 -7.907 1.00 1.00 H new ATOM 0 HD22 LEU A 149 -0.990 29.189 -7.420 1.00 1.00 H new ATOM 0 HD23 LEU A 149 -0.592 30.885 -7.784 1.00 1.00 H new ATOM 2262 N HIS A 150 -4.040 30.417 -5.419 1.00 1.00 N ATOM 2263 CA HIS A 150 -5.262 29.710 -5.766 1.00 1.00 C ATOM 2264 C HIS A 150 -6.129 30.562 -6.657 1.00 1.00 C ATOM 2265 O HIS A 150 -6.579 30.132 -7.702 1.00 1.00 O ATOM 2266 CB HIS A 150 -6.043 29.274 -4.535 1.00 1.00 C ATOM 2267 CG HIS A 150 -7.069 30.217 -4.030 1.00 1.00 C ATOM 2268 ND1 HIS A 150 -8.348 30.342 -4.536 1.00 1.00 N ATOM 2269 CD2 HIS A 150 -6.963 31.078 -3.039 1.00 1.00 C ATOM 2270 CE1 HIS A 150 -8.989 31.271 -3.850 1.00 1.00 C ATOM 2271 NE2 HIS A 150 -8.166 31.742 -2.924 1.00 1.00 N ATOM 0 H HIS A 150 -3.875 30.514 -4.417 1.00 1.00 H new ATOM 0 HA HIS A 150 -4.970 28.808 -6.304 1.00 1.00 H new ATOM 0 HB2 HIS A 150 -6.533 28.327 -4.761 1.00 1.00 H new ATOM 0 HB3 HIS A 150 -5.332 29.082 -3.731 1.00 1.00 H new ATOM 0 HD1 HIS A 150 -8.734 29.805 -5.312 1.00 1.00 H new ATOM 0 HD2 HIS A 150 -6.089 31.236 -2.425 1.00 1.00 H new ATOM 0 HE1 HIS A 150 -10.007 31.591 -4.015 1.00 1.00 H new ATOM 2280 N ASP A 151 -6.280 31.799 -6.255 1.00 1.00 N ATOM 2281 CA ASP A 151 -7.104 32.755 -6.984 1.00 1.00 C ATOM 2282 C ASP A 151 -6.581 32.932 -8.408 1.00 1.00 C ATOM 2283 O ASP A 151 -7.353 33.050 -9.356 1.00 1.00 O ATOM 2284 CB ASP A 151 -7.118 34.100 -6.263 1.00 1.00 C ATOM 2285 CG ASP A 151 -8.389 34.873 -6.526 1.00 1.00 C ATOM 2286 OD1 ASP A 151 -9.402 34.596 -5.846 1.00 1.00 O ATOM 2287 OD2 ASP A 151 -8.386 35.759 -7.397 1.00 1.00 O ATOM 0 H ASP A 151 -5.840 32.180 -5.417 1.00 1.00 H new ATOM 0 HA ASP A 151 -8.122 32.368 -7.030 1.00 1.00 H new ATOM 0 HB2 ASP A 151 -7.009 33.937 -5.191 1.00 1.00 H new ATOM 0 HB3 ASP A 151 -6.261 34.692 -6.584 1.00 1.00 H new ATOM 2292 N TRP A 152 -5.255 32.927 -8.540 1.00 1.00 N ATOM 2293 CA TRP A 152 -4.600 33.045 -9.836 1.00 1.00 C ATOM 2294 C TRP A 152 -4.934 31.839 -10.694 1.00 1.00 C ATOM 2295 O TRP A 152 -5.436 31.979 -11.807 1.00 1.00 O ATOM 2296 CB TRP A 152 -3.086 33.148 -9.631 1.00 1.00 C ATOM 2297 CG TRP A 152 -2.293 33.445 -10.877 1.00 1.00 C ATOM 2298 CD1 TRP A 152 -1.729 34.641 -11.217 1.00 1.00 C ATOM 2299 CD2 TRP A 152 -1.962 32.536 -11.940 1.00 1.00 C ATOM 2300 NE1 TRP A 152 -1.060 34.527 -12.410 1.00 1.00 N ATOM 2301 CE2 TRP A 152 -1.195 33.248 -12.875 1.00 1.00 C ATOM 2302 CE3 TRP A 152 -2.237 31.187 -12.187 1.00 1.00 C ATOM 2303 CZ2 TRP A 152 -0.705 32.664 -14.038 1.00 1.00 C ATOM 2304 CZ3 TRP A 152 -1.752 30.606 -13.344 1.00 1.00 C ATOM 2305 CH2 TRP A 152 -0.989 31.345 -14.256 1.00 1.00 C ATOM 0 H TRP A 152 -4.610 32.841 -7.754 1.00 1.00 H new ATOM 0 HA TRP A 152 -4.954 33.942 -10.344 1.00 1.00 H new ATOM 0 HB2 TRP A 152 -2.886 33.929 -8.897 1.00 1.00 H new ATOM 0 HB3 TRP A 152 -2.728 32.211 -9.205 1.00 1.00 H new ATOM 0 HD1 TRP A 152 -1.799 35.546 -10.632 1.00 1.00 H new ATOM 0 HE1 TRP A 152 -0.545 35.275 -12.875 1.00 1.00 H new ATOM 0 HE3 TRP A 152 -2.819 30.608 -11.485 1.00 1.00 H new ATOM 0 HZ2 TRP A 152 -0.120 33.233 -14.745 1.00 1.00 H new ATOM 0 HZ3 TRP A 152 -1.965 29.567 -13.547 1.00 1.00 H new ATOM 0 HH2 TRP A 152 -0.618 30.864 -15.149 1.00 1.00 H new ATOM 2316 N VAL A 153 -4.670 30.652 -10.165 1.00 1.00 N ATOM 2317 CA VAL A 153 -4.959 29.427 -10.889 1.00 1.00 C ATOM 2318 C VAL A 153 -6.450 29.367 -11.219 1.00 1.00 C ATOM 2319 O VAL A 153 -6.827 28.996 -12.325 1.00 1.00 O ATOM 2320 CB VAL A 153 -4.508 28.162 -10.108 1.00 1.00 C ATOM 2321 CG1 VAL A 153 -3.097 28.343 -9.555 1.00 1.00 C ATOM 2322 CG2 VAL A 153 -5.468 27.788 -8.989 1.00 1.00 C ATOM 0 H VAL A 153 -4.258 30.514 -9.242 1.00 1.00 H new ATOM 0 HA VAL A 153 -4.385 29.439 -11.816 1.00 1.00 H new ATOM 0 HB VAL A 153 -4.512 27.338 -10.822 1.00 1.00 H new ATOM 0 HG11 VAL A 153 -2.801 27.446 -9.012 1.00 1.00 H new ATOM 0 HG12 VAL A 153 -2.403 28.514 -10.378 1.00 1.00 H new ATOM 0 HG13 VAL A 153 -3.078 29.199 -8.880 1.00 1.00 H new ATOM 0 HG21 VAL A 153 -5.102 26.897 -8.478 1.00 1.00 H new ATOM 0 HG22 VAL A 153 -5.537 28.611 -8.278 1.00 1.00 H new ATOM 0 HG23 VAL A 153 -6.454 27.587 -9.408 1.00 1.00 H new ATOM 2332 N ASP A 154 -7.275 29.834 -10.279 1.00 1.00 N ATOM 2333 CA ASP A 154 -8.723 29.890 -10.453 1.00 1.00 C ATOM 2334 C ASP A 154 -9.090 30.755 -11.653 1.00 1.00 C ATOM 2335 O ASP A 154 -9.773 30.315 -12.578 1.00 1.00 O ATOM 2336 CB ASP A 154 -9.405 30.475 -9.200 1.00 1.00 C ATOM 2337 CG ASP A 154 -9.762 29.448 -8.140 1.00 1.00 C ATOM 2338 OD1 ASP A 154 -10.714 28.678 -8.363 1.00 1.00 O ATOM 2339 OD2 ASP A 154 -9.131 29.445 -7.055 1.00 1.00 O ATOM 0 H ASP A 154 -6.955 30.184 -9.376 1.00 1.00 H new ATOM 0 HA ASP A 154 -9.070 28.870 -10.615 1.00 1.00 H new ATOM 0 HB2 ASP A 154 -8.745 31.221 -8.757 1.00 1.00 H new ATOM 0 HB3 ASP A 154 -10.313 30.994 -9.505 1.00 1.00 H new ATOM 2344 N GLU A 155 -8.617 31.999 -11.613 1.00 1.00 N ATOM 2345 CA GLU A 155 -8.919 32.980 -12.651 1.00 1.00 C ATOM 2346 C GLU A 155 -8.406 32.496 -14.005 1.00 1.00 C ATOM 2347 O GLU A 155 -9.093 32.609 -15.020 1.00 1.00 O ATOM 2348 CB GLU A 155 -8.308 34.355 -12.302 1.00 1.00 C ATOM 2349 CG GLU A 155 -6.842 34.510 -12.705 1.00 1.00 C ATOM 2350 CD GLU A 155 -6.209 35.817 -12.257 1.00 1.00 C ATOM 2351 OE1 GLU A 155 -6.211 36.092 -11.036 1.00 1.00 O ATOM 2352 OE2 GLU A 155 -5.737 36.586 -13.117 1.00 1.00 O ATOM 0 H GLU A 155 -8.019 32.352 -10.866 1.00 1.00 H new ATOM 0 HA GLU A 155 -10.001 33.094 -12.709 1.00 1.00 H new ATOM 0 HB2 GLU A 155 -8.892 35.134 -12.792 1.00 1.00 H new ATOM 0 HB3 GLU A 155 -8.397 34.517 -11.228 1.00 1.00 H new ATOM 0 HG2 GLU A 155 -6.272 33.681 -12.286 1.00 1.00 H new ATOM 0 HG3 GLU A 155 -6.765 34.435 -13.790 1.00 1.00 H new ATOM 2359 N ARG A 156 -7.245 31.859 -13.982 1.00 1.00 N ATOM 2360 CA ARG A 156 -6.602 31.393 -15.194 1.00 1.00 C ATOM 2361 C ARG A 156 -7.301 30.173 -15.755 1.00 1.00 C ATOM 2362 O ARG A 156 -7.644 30.142 -16.929 1.00 1.00 O ATOM 2363 CB ARG A 156 -5.128 31.115 -14.928 1.00 1.00 C ATOM 2364 CG ARG A 156 -4.356 32.381 -14.631 1.00 1.00 C ATOM 2365 CD ARG A 156 -4.847 33.500 -15.518 1.00 1.00 C ATOM 2366 NE ARG A 156 -4.476 34.824 -15.019 1.00 1.00 N ATOM 2367 CZ ARG A 156 -3.880 35.768 -15.741 1.00 1.00 C ATOM 2368 NH1 ARG A 156 -3.434 35.507 -16.963 1.00 1.00 N ATOM 2369 NH2 ARG A 156 -3.716 36.974 -15.223 1.00 1.00 N ATOM 0 H ARG A 156 -6.728 31.653 -13.127 1.00 1.00 H new ATOM 0 HA ARG A 156 -6.675 32.177 -15.947 1.00 1.00 H new ATOM 0 HB2 ARG A 156 -5.035 30.428 -14.087 1.00 1.00 H new ATOM 0 HB3 ARG A 156 -4.691 30.619 -15.794 1.00 1.00 H new ATOM 0 HG2 ARG A 156 -4.478 32.655 -13.583 1.00 1.00 H new ATOM 0 HG3 ARG A 156 -3.291 32.215 -14.795 1.00 1.00 H new ATOM 0 HD2 ARG A 156 -4.440 33.368 -16.521 1.00 1.00 H new ATOM 0 HD3 ARG A 156 -5.932 33.440 -15.604 1.00 1.00 H new ATOM 0 HE ARG A 156 -4.690 35.039 -14.045 1.00 1.00 H new ATOM 0 HH11 ARG A 156 -3.547 34.574 -17.358 1.00 1.00 H new ATOM 0 HH12 ARG A 156 -2.978 36.240 -17.507 1.00 1.00 H new ATOM 0 HH21 ARG A 156 -4.045 37.172 -14.278 1.00 1.00 H new ATOM 0 HH22 ARG A 156 -3.260 37.706 -15.768 1.00 1.00 H new ATOM 2383 N LEU A 157 -7.556 29.194 -14.893 1.00 1.00 N ATOM 2384 CA LEU A 157 -8.231 27.963 -15.309 1.00 1.00 C ATOM 2385 C LEU A 157 -9.618 28.280 -15.849 1.00 1.00 C ATOM 2386 O LEU A 157 -10.143 27.569 -16.701 1.00 1.00 O ATOM 2387 CB LEU A 157 -8.299 26.928 -14.156 1.00 1.00 C ATOM 2388 CG LEU A 157 -9.206 27.251 -12.954 1.00 1.00 C ATOM 2389 CD1 LEU A 157 -10.666 26.930 -13.248 1.00 1.00 C ATOM 2390 CD2 LEU A 157 -8.738 26.481 -11.728 1.00 1.00 C ATOM 0 H LEU A 157 -7.308 29.226 -13.904 1.00 1.00 H new ATOM 0 HA LEU A 157 -7.644 27.510 -16.108 1.00 1.00 H new ATOM 0 HB2 LEU A 157 -8.627 25.978 -14.578 1.00 1.00 H new ATOM 0 HB3 LEU A 157 -7.287 26.777 -13.781 1.00 1.00 H new ATOM 0 HG LEU A 157 -9.135 28.321 -12.760 1.00 1.00 H new ATOM 0 HD11 LEU A 157 -11.274 27.171 -12.376 1.00 1.00 H new ATOM 0 HD12 LEU A 157 -11.004 27.519 -14.100 1.00 1.00 H new ATOM 0 HD13 LEU A 157 -10.766 25.869 -13.478 1.00 1.00 H new ATOM 0 HD21 LEU A 157 -9.385 26.715 -10.882 1.00 1.00 H new ATOM 0 HD22 LEU A 157 -8.781 25.411 -11.932 1.00 1.00 H new ATOM 0 HD23 LEU A 157 -7.713 26.764 -11.490 1.00 1.00 H new