USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 688 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 32 LYS NZ :NH3+ 168:sc= 2.23 (180deg=0.528) USER MOD Set 1.2: A 62 THR OG1 : rot 70:sc= 0.913 USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 1.72 USER MOD Set 2.2: A 14 THR OG1 : rot -12:sc= 1.15 USER MOD Set 3.1: A 10 THR OG1 : rot 100:sc= 0.682 USER MOD Set 3.2: A 49 GLN : amide:sc=-0.00387 K(o=1.5,f=0.58) USER MOD Set 3.3: A 80 HIS : no HD1:sc= 0.835 K(o=1.5,f=-2.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 1.23 (180deg=1.13) USER MOD Single : A 2 THR OG1 : rot 38:sc= 0.672 USER MOD Single : A 5 TYR OH : rot 130:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.812 K(o=0.81,f=-7.3!) USER MOD Single : A 18 MET CE :methyl 167:sc= 0 (180deg=-0.0836) USER MOD Single : A 20 LYS NZ :NH3+ 151:sc= 1.21 (180deg=0.395) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -89:sc= -1.17 USER MOD Single : A 26 MET CE :methyl -152:sc= -0.0456 (180deg=-1.55) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -2.37! C(o=-2.4!,f=-3.7!) USER MOD Single : A 33 LYS NZ :NH3+ -154:sc= -0.231! (180deg=-0.775!) USER MOD Single : A 34 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.505) USER MOD Single : A 41 THR OG1 : rot -58:sc= 1.24 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -166:sc= -1.24 (180deg=-1.78) USER MOD Single : A 56 GLN : amide:sc= -2.9! C(o=-2.9!,f=-4.4!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.18) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0664 USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= 1.33 (180deg=1.09) USER MOD Single : A 77 TYR OH : rot -130:sc= 2.05 USER MOD Single : A 85 THR OG1 : rot 120:sc= -0.83! USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.599 3.406 -7.896 1.00 0.00 N ATOM 2 CA MET A 1 -19.059 2.049 -8.228 1.00 0.00 C ATOM 3 C MET A 1 -18.607 1.129 -7.132 1.00 0.00 C ATOM 4 O MET A 1 -17.984 1.595 -6.180 1.00 0.00 O ATOM 5 CB MET A 1 -18.443 1.589 -9.563 1.00 0.00 C ATOM 6 CG MET A 1 -18.835 2.431 -10.763 1.00 0.00 C ATOM 7 SD MET A 1 -18.065 1.868 -12.295 1.00 0.00 S ATOM 8 CE MET A 1 -18.741 3.057 -13.455 1.00 0.00 C ATOM 0 H1 MET A 1 -18.971 4.080 -8.596 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.941 3.666 -6.949 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.559 3.433 -7.908 1.00 0.00 H new ATOM 0 HA MET A 1 -20.145 2.037 -8.324 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.357 1.597 -9.469 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.739 0.556 -9.748 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.919 2.410 -10.877 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.554 3.468 -10.580 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.361 2.847 -14.455 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.829 2.985 -13.458 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.445 4.063 -13.159 1.00 0.00 H new ATOM 18 N THR A 2 -18.923 -0.166 -7.228 1.00 0.00 N ATOM 19 CA THR A 2 -18.414 -1.111 -6.261 1.00 0.00 C ATOM 20 C THR A 2 -16.925 -1.211 -6.487 1.00 0.00 C ATOM 21 O THR A 2 -16.484 -1.677 -7.547 1.00 0.00 O ATOM 22 CB THR A 2 -19.068 -2.503 -6.426 1.00 0.00 C ATOM 23 OG1 THR A 2 -18.926 -2.942 -7.787 1.00 0.00 O ATOM 24 CG2 THR A 2 -20.538 -2.464 -6.054 1.00 0.00 C ATOM 0 H THR A 2 -19.517 -0.567 -7.954 1.00 0.00 H new ATOM 0 HA THR A 2 -18.645 -0.771 -5.251 1.00 0.00 H new ATOM 0 HB THR A 2 -18.565 -3.201 -5.757 1.00 0.00 H new ATOM 0 HG1 THR A 2 -18.051 -2.665 -8.130 1.00 0.00 H new ATOM 0 HG21 THR A 2 -20.972 -3.456 -6.180 1.00 0.00 H new ATOM 0 HG22 THR A 2 -20.642 -2.151 -5.015 1.00 0.00 H new ATOM 0 HG23 THR A 2 -21.058 -1.756 -6.700 1.00 0.00 H new ATOM 32 N GLU A 3 -16.158 -0.753 -5.543 1.00 0.00 N ATOM 33 CA GLU A 3 -14.743 -0.652 -5.720 1.00 0.00 C ATOM 34 C GLU A 3 -14.024 -1.124 -4.506 1.00 0.00 C ATOM 35 O GLU A 3 -13.930 -0.434 -3.499 1.00 0.00 O ATOM 36 CB GLU A 3 -14.364 0.781 -6.098 1.00 0.00 C ATOM 37 CG GLU A 3 -14.944 1.188 -7.429 1.00 0.00 C ATOM 38 CD GLU A 3 -14.839 2.647 -7.739 1.00 0.00 C ATOM 39 OE1 GLU A 3 -13.782 3.089 -8.201 1.00 0.00 O ATOM 40 OE2 GLU A 3 -15.842 3.378 -7.543 1.00 0.00 O ATOM 0 H GLU A 3 -16.495 -0.440 -4.633 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.437 -1.302 -6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.716 1.465 -5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.278 0.871 -6.133 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.440 0.627 -8.216 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.995 0.900 -7.455 1.00 0.00 H new ATOM 47 N VAL A 4 -13.561 -2.312 -4.606 1.00 0.00 N ATOM 48 CA VAL A 4 -12.852 -2.994 -3.569 1.00 0.00 C ATOM 49 C VAL A 4 -11.704 -3.782 -4.175 1.00 0.00 C ATOM 50 O VAL A 4 -11.880 -4.511 -5.151 1.00 0.00 O ATOM 51 CB VAL A 4 -13.781 -3.935 -2.723 1.00 0.00 C ATOM 52 CG1 VAL A 4 -14.712 -3.129 -1.827 1.00 0.00 C ATOM 53 CG2 VAL A 4 -14.612 -4.839 -3.633 1.00 0.00 C ATOM 0 H VAL A 4 -13.667 -2.872 -5.452 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.463 -2.242 -2.882 1.00 0.00 H new ATOM 0 HB VAL A 4 -13.135 -4.551 -2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -15.343 -3.808 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -14.121 -2.519 -1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.339 -2.483 -2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -15.248 -5.482 -3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -15.234 -4.226 -4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.948 -5.455 -4.239 1.00 0.00 H new ATOM 63 N TYR A 5 -10.549 -3.613 -3.624 1.00 0.00 N ATOM 64 CA TYR A 5 -9.356 -4.284 -4.102 1.00 0.00 C ATOM 65 C TYR A 5 -8.921 -5.321 -3.119 1.00 0.00 C ATOM 66 O TYR A 5 -9.039 -5.130 -1.909 1.00 0.00 O ATOM 67 CB TYR A 5 -8.209 -3.297 -4.330 1.00 0.00 C ATOM 68 CG TYR A 5 -8.458 -2.235 -5.375 1.00 0.00 C ATOM 69 CD1 TYR A 5 -8.733 -2.575 -6.694 1.00 0.00 C ATOM 70 CD2 TYR A 5 -8.402 -0.894 -5.048 1.00 0.00 C ATOM 71 CE1 TYR A 5 -8.941 -1.603 -7.651 1.00 0.00 C ATOM 72 CE2 TYR A 5 -8.605 0.080 -6.002 1.00 0.00 C ATOM 73 CZ TYR A 5 -8.875 -0.280 -7.300 1.00 0.00 C ATOM 74 OH TYR A 5 -9.070 0.692 -8.250 1.00 0.00 O ATOM 0 H TYR A 5 -10.390 -3.003 -2.822 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.603 -4.753 -5.054 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.984 -2.804 -3.384 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.320 -3.860 -4.615 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.785 -3.617 -6.975 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.196 -0.604 -4.028 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.155 -1.884 -8.672 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.552 1.124 -5.730 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.729 1.340 -7.925 1.00 0.00 H new ATOM 84 N ASP A 6 -8.469 -6.426 -3.625 1.00 0.00 N ATOM 85 CA ASP A 6 -7.928 -7.460 -2.792 1.00 0.00 C ATOM 86 C ASP A 6 -6.462 -7.235 -2.738 1.00 0.00 C ATOM 87 O ASP A 6 -5.770 -7.308 -3.762 1.00 0.00 O ATOM 88 CB ASP A 6 -8.194 -8.854 -3.351 1.00 0.00 C ATOM 89 CG ASP A 6 -9.663 -9.226 -3.443 1.00 0.00 C ATOM 90 OD1 ASP A 6 -10.347 -8.776 -4.381 1.00 0.00 O ATOM 91 OD2 ASP A 6 -10.146 -10.010 -2.597 1.00 0.00 O ATOM 0 H ASP A 6 -8.463 -6.638 -4.623 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.398 -7.416 -1.810 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.752 -8.924 -4.345 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.685 -9.586 -2.724 1.00 0.00 H new ATOM 96 N LEU A 7 -5.997 -6.934 -1.598 1.00 0.00 N ATOM 97 CA LEU A 7 -4.624 -6.648 -1.394 1.00 0.00 C ATOM 98 C LEU A 7 -3.970 -7.810 -0.733 1.00 0.00 C ATOM 99 O LEU A 7 -4.576 -8.462 0.118 1.00 0.00 O ATOM 100 CB LEU A 7 -4.425 -5.381 -0.536 1.00 0.00 C ATOM 101 CG LEU A 7 -4.759 -3.999 -1.159 1.00 0.00 C ATOM 102 CD1 LEU A 7 -6.222 -3.841 -1.481 1.00 0.00 C ATOM 103 CD2 LEU A 7 -4.301 -2.882 -0.246 1.00 0.00 C ATOM 0 H LEU A 7 -6.565 -6.875 -0.753 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.169 -6.464 -2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.030 -5.493 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.383 -5.357 -0.218 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.217 -3.942 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.395 -2.856 -1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.522 -4.608 -2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.809 -3.944 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.543 -1.920 -0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.806 -2.968 0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.223 -2.952 -0.097 1.00 0.00 H new ATOM 115 N GLU A 8 -2.766 -8.086 -1.124 1.00 0.00 N ATOM 116 CA GLU A 8 -2.014 -9.137 -0.531 1.00 0.00 C ATOM 117 C GLU A 8 -0.897 -8.471 0.245 1.00 0.00 C ATOM 118 O GLU A 8 -0.043 -7.785 -0.323 1.00 0.00 O ATOM 119 CB GLU A 8 -1.543 -10.090 -1.645 1.00 0.00 C ATOM 120 CG GLU A 8 -0.929 -11.424 -1.217 1.00 0.00 C ATOM 121 CD GLU A 8 0.458 -11.328 -0.654 1.00 0.00 C ATOM 122 OE1 GLU A 8 1.425 -11.413 -1.452 1.00 0.00 O ATOM 123 OE2 GLU A 8 0.604 -11.233 0.554 1.00 0.00 O ATOM 0 H GLU A 8 -2.278 -7.585 -1.867 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.583 -9.756 0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.396 -10.303 -2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.809 -9.561 -2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.577 -11.883 -0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.911 -12.092 -2.078 1.00 0.00 H new ATOM 130 N ILE A 9 -0.950 -8.626 1.525 1.00 0.00 N ATOM 131 CA ILE A 9 -0.070 -7.925 2.423 1.00 0.00 C ATOM 132 C ILE A 9 0.992 -8.836 2.978 1.00 0.00 C ATOM 133 O ILE A 9 0.705 -9.921 3.505 1.00 0.00 O ATOM 134 CB ILE A 9 -0.817 -7.253 3.651 1.00 0.00 C ATOM 135 CG1 ILE A 9 -1.920 -6.245 3.241 1.00 0.00 C ATOM 136 CG2 ILE A 9 0.170 -6.573 4.599 1.00 0.00 C ATOM 137 CD1 ILE A 9 -3.177 -6.860 2.666 1.00 0.00 C ATOM 0 H ILE A 9 -1.610 -9.248 1.991 1.00 0.00 H new ATOM 0 HA ILE A 9 0.373 -7.138 1.813 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.313 -8.077 4.164 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.192 -5.654 4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.504 -5.555 2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.374 -6.123 5.429 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.873 -7.312 4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.717 -5.799 4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.885 -6.071 2.412 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.927 -7.427 1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.626 -7.526 3.403 1.00 0.00 H new ATOM 149 N THR A 10 2.192 -8.385 2.888 1.00 0.00 N ATOM 150 CA THR A 10 3.294 -9.045 3.476 1.00 0.00 C ATOM 151 C THR A 10 3.888 -8.163 4.528 1.00 0.00 C ATOM 152 O THR A 10 3.821 -6.942 4.447 1.00 0.00 O ATOM 153 CB THR A 10 4.377 -9.439 2.462 1.00 0.00 C ATOM 154 OG1 THR A 10 4.707 -8.333 1.617 1.00 0.00 O ATOM 155 CG2 THR A 10 3.958 -10.624 1.646 1.00 0.00 C ATOM 0 H THR A 10 2.437 -7.528 2.392 1.00 0.00 H new ATOM 0 HA THR A 10 2.920 -9.973 3.909 1.00 0.00 H new ATOM 0 HB THR A 10 5.268 -9.721 3.023 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.536 -7.917 1.932 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.748 -10.876 0.938 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.776 -11.473 2.305 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.045 -10.386 1.101 1.00 0.00 H new ATOM 163 N THR A 11 4.437 -8.758 5.492 1.00 0.00 N ATOM 164 CA THR A 11 5.049 -8.117 6.542 1.00 0.00 C ATOM 165 C THR A 11 6.347 -8.808 6.800 1.00 0.00 C ATOM 166 O THR A 11 6.621 -9.857 6.230 1.00 0.00 O ATOM 167 CB THR A 11 4.173 -8.185 7.800 1.00 0.00 C ATOM 168 OG1 THR A 11 3.646 -9.504 7.964 1.00 0.00 O ATOM 169 CG2 THR A 11 3.060 -7.146 7.820 1.00 0.00 C ATOM 0 H THR A 11 4.469 -9.775 5.566 1.00 0.00 H new ATOM 0 HA THR A 11 5.207 -7.067 6.296 1.00 0.00 H new ATOM 0 HB THR A 11 4.819 -7.946 8.645 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.090 -9.536 8.770 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.480 -7.251 8.737 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.494 -6.147 7.778 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.408 -7.295 6.959 1.00 0.00 H new ATOM 177 N ASN A 12 7.171 -8.217 7.572 1.00 0.00 N ATOM 178 CA ASN A 12 8.377 -8.880 7.976 1.00 0.00 C ATOM 179 C ASN A 12 8.042 -9.867 9.084 1.00 0.00 C ATOM 180 O ASN A 12 8.770 -10.828 9.327 1.00 0.00 O ATOM 181 CB ASN A 12 9.416 -7.876 8.433 1.00 0.00 C ATOM 182 CG ASN A 12 9.044 -7.184 9.734 1.00 0.00 C ATOM 183 OD1 ASN A 12 8.352 -6.174 9.732 1.00 0.00 O ATOM 184 ND2 ASN A 12 9.516 -7.711 10.832 1.00 0.00 N ATOM 0 H ASN A 12 7.047 -7.276 7.945 1.00 0.00 H new ATOM 0 HA ASN A 12 8.802 -9.419 7.129 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.372 -8.384 8.559 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.554 -7.125 7.655 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.312 -7.280 11.733 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.089 -8.554 10.788 1.00 0.00 H new ATOM 191 N ALA A 13 6.920 -9.608 9.744 1.00 0.00 N ATOM 192 CA ALA A 13 6.419 -10.456 10.786 1.00 0.00 C ATOM 193 C ALA A 13 5.950 -11.766 10.188 1.00 0.00 C ATOM 194 O ALA A 13 6.299 -12.838 10.669 1.00 0.00 O ATOM 195 CB ALA A 13 5.280 -9.762 11.519 1.00 0.00 C ATOM 0 H ALA A 13 6.336 -8.792 9.559 1.00 0.00 H new ATOM 0 HA ALA A 13 7.214 -10.661 11.504 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.905 -10.413 12.309 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.642 -8.832 11.957 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.475 -9.543 10.817 1.00 0.00 H new ATOM 201 N THR A 14 5.136 -11.675 9.155 1.00 0.00 N ATOM 202 CA THR A 14 4.678 -12.856 8.469 1.00 0.00 C ATOM 203 C THR A 14 5.107 -12.788 7.022 1.00 0.00 C ATOM 204 O THR A 14 4.808 -11.814 6.327 1.00 0.00 O ATOM 205 CB THR A 14 3.137 -13.062 8.576 1.00 0.00 C ATOM 206 OG1 THR A 14 2.440 -11.917 8.081 1.00 0.00 O ATOM 207 CG2 THR A 14 2.713 -13.326 10.015 1.00 0.00 C ATOM 0 H THR A 14 4.782 -10.796 8.777 1.00 0.00 H new ATOM 0 HA THR A 14 5.134 -13.719 8.955 1.00 0.00 H new ATOM 0 HB THR A 14 2.882 -13.932 7.970 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.070 -11.176 7.963 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.633 -13.465 10.056 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.209 -14.225 10.381 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.993 -12.477 10.638 1.00 0.00 H new ATOM 215 N ASP A 15 5.760 -13.807 6.551 1.00 0.00 N ATOM 216 CA ASP A 15 6.244 -13.803 5.176 1.00 0.00 C ATOM 217 C ASP A 15 5.251 -14.549 4.285 1.00 0.00 C ATOM 218 O ASP A 15 5.462 -14.757 3.088 1.00 0.00 O ATOM 219 CB ASP A 15 7.654 -14.421 5.110 1.00 0.00 C ATOM 220 CG ASP A 15 8.311 -14.281 3.754 1.00 0.00 C ATOM 221 OD1 ASP A 15 8.801 -13.173 3.429 1.00 0.00 O ATOM 222 OD2 ASP A 15 8.352 -15.270 2.992 1.00 0.00 O ATOM 0 H ASP A 15 5.976 -14.651 7.081 1.00 0.00 H new ATOM 0 HA ASP A 15 6.321 -12.779 4.811 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.285 -13.947 5.862 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.591 -15.478 5.367 1.00 0.00 H new ATOM 227 N PHE A 16 4.148 -14.917 4.887 1.00 0.00 N ATOM 228 CA PHE A 16 3.094 -15.626 4.214 1.00 0.00 C ATOM 229 C PHE A 16 2.153 -14.623 3.567 1.00 0.00 C ATOM 230 O PHE A 16 1.919 -13.555 4.132 1.00 0.00 O ATOM 231 CB PHE A 16 2.318 -16.494 5.212 1.00 0.00 C ATOM 232 CG PHE A 16 3.163 -17.501 5.932 1.00 0.00 C ATOM 233 CD1 PHE A 16 3.460 -18.719 5.349 1.00 0.00 C ATOM 234 CD2 PHE A 16 3.662 -17.225 7.192 1.00 0.00 C ATOM 235 CE1 PHE A 16 4.237 -19.647 6.012 1.00 0.00 C ATOM 236 CE2 PHE A 16 4.439 -18.144 7.860 1.00 0.00 C ATOM 237 CZ PHE A 16 4.730 -19.360 7.270 1.00 0.00 C ATOM 0 H PHE A 16 3.956 -14.729 5.871 1.00 0.00 H new ATOM 0 HA PHE A 16 3.526 -16.273 3.450 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.839 -15.846 5.946 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.522 -17.016 4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.080 -18.947 4.364 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.439 -16.276 7.658 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.459 -20.596 5.548 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.821 -17.915 8.844 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.341 -20.083 7.791 1.00 0.00 H new ATOM 247 N PRO A 17 1.610 -14.937 2.380 1.00 0.00 N ATOM 248 CA PRO A 17 0.687 -14.049 1.688 1.00 0.00 C ATOM 249 C PRO A 17 -0.631 -13.952 2.423 1.00 0.00 C ATOM 250 O PRO A 17 -1.286 -14.975 2.701 1.00 0.00 O ATOM 251 CB PRO A 17 0.463 -14.713 0.328 1.00 0.00 C ATOM 252 CG PRO A 17 1.492 -15.783 0.226 1.00 0.00 C ATOM 253 CD PRO A 17 1.842 -16.168 1.626 1.00 0.00 C ATOM 0 HA PRO A 17 1.084 -13.037 1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.542 -15.129 0.256 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.568 -13.991 -0.482 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.108 -16.640 -0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.372 -15.426 -0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.217 -16.985 1.987 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.877 -16.500 1.705 1.00 0.00 H new ATOM 261 N MET A 18 -1.021 -12.768 2.727 1.00 0.00 N ATOM 262 CA MET A 18 -2.248 -12.527 3.440 1.00 0.00 C ATOM 263 C MET A 18 -3.082 -11.613 2.588 1.00 0.00 C ATOM 264 O MET A 18 -2.648 -10.531 2.246 1.00 0.00 O ATOM 265 CB MET A 18 -1.916 -11.890 4.819 1.00 0.00 C ATOM 266 CG MET A 18 -3.098 -11.679 5.779 1.00 0.00 C ATOM 267 SD MET A 18 -4.286 -10.407 5.262 1.00 0.00 S ATOM 268 CE MET A 18 -5.487 -10.505 6.588 1.00 0.00 C ATOM 0 H MET A 18 -0.501 -11.923 2.491 1.00 0.00 H new ATOM 0 HA MET A 18 -2.801 -13.447 3.630 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.180 -12.520 5.318 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.442 -10.924 4.644 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.628 -12.625 5.893 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.707 -11.412 6.761 1.00 0.00 H new ATOM 0 HE1 MET A 18 -6.150 -9.641 6.543 1.00 0.00 H new ATOM 0 HE2 MET A 18 -6.073 -11.418 6.482 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.970 -10.516 7.547 1.00 0.00 H new ATOM 278 N GLU A 19 -4.261 -12.035 2.231 1.00 0.00 N ATOM 279 CA GLU A 19 -5.075 -11.223 1.368 1.00 0.00 C ATOM 280 C GLU A 19 -6.307 -10.738 2.075 1.00 0.00 C ATOM 281 O GLU A 19 -6.985 -11.505 2.787 1.00 0.00 O ATOM 282 CB GLU A 19 -5.429 -11.937 0.055 1.00 0.00 C ATOM 283 CG GLU A 19 -6.220 -13.219 0.216 1.00 0.00 C ATOM 284 CD GLU A 19 -6.601 -13.818 -1.110 1.00 0.00 C ATOM 285 OE1 GLU A 19 -7.689 -13.467 -1.648 1.00 0.00 O ATOM 286 OE2 GLU A 19 -5.838 -14.639 -1.635 1.00 0.00 O ATOM 0 H GLU A 19 -4.677 -12.921 2.517 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.477 -10.352 1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.000 -11.252 -0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.506 -12.162 -0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.631 -13.940 0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.121 -13.018 0.795 1.00 0.00 H new ATOM 293 N LYS A 20 -6.591 -9.486 1.904 1.00 0.00 N ATOM 294 CA LYS A 20 -7.727 -8.886 2.504 1.00 0.00 C ATOM 295 C LYS A 20 -8.227 -7.821 1.531 1.00 0.00 C ATOM 296 O LYS A 20 -7.432 -7.106 0.913 1.00 0.00 O ATOM 297 CB LYS A 20 -7.313 -8.293 3.878 1.00 0.00 C ATOM 298 CG LYS A 20 -8.448 -8.002 4.875 1.00 0.00 C ATOM 299 CD LYS A 20 -9.407 -6.938 4.408 1.00 0.00 C ATOM 300 CE LYS A 20 -10.521 -6.729 5.401 1.00 0.00 C ATOM 301 NZ LYS A 20 -11.479 -5.722 4.924 1.00 0.00 N ATOM 0 H LYS A 20 -6.031 -8.850 1.337 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.530 -9.598 2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.614 -8.984 4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.771 -7.364 3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.002 -8.922 5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.014 -7.695 5.827 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.870 -6.001 4.259 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.826 -7.222 3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.038 -7.673 5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.104 -6.413 6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.421 -5.927 5.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.174 -4.778 5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.521 -5.748 3.885 1.00 0.00 H new ATOM 315 N LYS A 21 -9.509 -7.745 1.374 1.00 0.00 N ATOM 316 CA LYS A 21 -10.111 -6.833 0.440 1.00 0.00 C ATOM 317 C LYS A 21 -10.572 -5.545 1.127 1.00 0.00 C ATOM 318 O LYS A 21 -11.321 -5.582 2.117 1.00 0.00 O ATOM 319 CB LYS A 21 -11.234 -7.550 -0.304 1.00 0.00 C ATOM 320 CG LYS A 21 -11.987 -6.716 -1.314 1.00 0.00 C ATOM 321 CD LYS A 21 -12.860 -7.602 -2.194 1.00 0.00 C ATOM 322 CE LYS A 21 -13.870 -8.411 -1.399 1.00 0.00 C ATOM 323 NZ LYS A 21 -14.637 -9.329 -2.266 1.00 0.00 N ATOM 0 H LYS A 21 -10.178 -8.316 1.891 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.369 -6.517 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.812 -8.414 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.946 -7.930 0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.607 -5.982 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.283 -6.160 -1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.388 -6.980 -2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.224 -8.281 -2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.353 -8.984 -0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.556 -7.736 -0.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.317 -9.865 -1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.150 -8.780 -2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.985 -9.989 -2.735 1.00 0.00 H new ATOM 337 N TYR A 22 -10.108 -4.426 0.602 1.00 0.00 N ATOM 338 CA TYR A 22 -10.391 -3.106 1.146 1.00 0.00 C ATOM 339 C TYR A 22 -10.998 -2.239 0.035 1.00 0.00 C ATOM 340 O TYR A 22 -10.735 -2.487 -1.143 1.00 0.00 O ATOM 341 CB TYR A 22 -9.082 -2.438 1.627 1.00 0.00 C ATOM 342 CG TYR A 22 -8.271 -3.211 2.661 1.00 0.00 C ATOM 343 CD1 TYR A 22 -7.321 -4.141 2.265 1.00 0.00 C ATOM 344 CD2 TYR A 22 -8.434 -2.990 4.023 1.00 0.00 C ATOM 345 CE1 TYR A 22 -6.565 -4.832 3.180 1.00 0.00 C ATOM 346 CE2 TYR A 22 -7.671 -3.677 4.953 1.00 0.00 C ATOM 347 CZ TYR A 22 -6.735 -4.598 4.520 1.00 0.00 C ATOM 348 OH TYR A 22 -5.969 -5.286 5.431 1.00 0.00 O ATOM 0 H TYR A 22 -9.514 -4.406 -0.227 1.00 0.00 H new ATOM 0 HA TYR A 22 -11.080 -3.202 1.985 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -8.449 -2.261 0.758 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -9.329 -1.462 2.045 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -7.172 -4.326 1.211 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -9.166 -2.272 4.362 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.839 -5.558 2.845 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.806 -3.494 6.009 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.419 -6.123 5.672 1.00 0.00 H new ATOM 358 N PRO A 23 -11.823 -1.229 0.378 1.00 0.00 N ATOM 359 CA PRO A 23 -12.428 -0.325 -0.619 1.00 0.00 C ATOM 360 C PRO A 23 -11.388 0.510 -1.353 1.00 0.00 C ATOM 361 O PRO A 23 -10.390 0.937 -0.762 1.00 0.00 O ATOM 362 CB PRO A 23 -13.313 0.607 0.214 1.00 0.00 C ATOM 363 CG PRO A 23 -13.500 -0.088 1.512 1.00 0.00 C ATOM 364 CD PRO A 23 -12.253 -0.892 1.741 1.00 0.00 C ATOM 0 HA PRO A 23 -12.962 -0.889 -1.383 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.840 1.579 0.353 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -14.269 0.785 -0.278 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.654 0.629 2.318 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -14.379 -0.732 1.485 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.495 -0.318 2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.451 -1.785 2.334 1.00 0.00 H new ATOM 372 N ALA A 24 -11.644 0.767 -2.634 1.00 0.00 N ATOM 373 CA ALA A 24 -10.750 1.561 -3.470 1.00 0.00 C ATOM 374 C ALA A 24 -10.551 2.961 -2.919 1.00 0.00 C ATOM 375 O ALA A 24 -9.468 3.551 -3.026 1.00 0.00 O ATOM 376 CB ALA A 24 -11.296 1.630 -4.876 1.00 0.00 C ATOM 0 H ALA A 24 -12.476 0.431 -3.120 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.776 1.071 -3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.626 2.224 -5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.374 0.623 -5.286 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.283 2.093 -4.861 1.00 0.00 H new ATOM 382 N GLY A 25 -11.581 3.461 -2.320 1.00 0.00 N ATOM 383 CA GLY A 25 -11.571 4.795 -1.788 1.00 0.00 C ATOM 384 C GLY A 25 -11.134 4.877 -0.337 1.00 0.00 C ATOM 385 O GLY A 25 -11.259 5.926 0.279 1.00 0.00 O ATOM 0 H GLY A 25 -12.458 2.959 -2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.906 5.411 -2.393 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.571 5.220 -1.880 1.00 0.00 H new ATOM 389 N MET A 26 -10.630 3.790 0.227 1.00 0.00 N ATOM 390 CA MET A 26 -10.189 3.836 1.616 1.00 0.00 C ATOM 391 C MET A 26 -8.784 4.469 1.694 1.00 0.00 C ATOM 392 O MET A 26 -8.043 4.465 0.705 1.00 0.00 O ATOM 393 CB MET A 26 -10.192 2.440 2.226 1.00 0.00 C ATOM 394 CG MET A 26 -10.248 2.428 3.739 1.00 0.00 C ATOM 395 SD MET A 26 -11.773 3.212 4.321 1.00 0.00 S ATOM 396 CE MET A 26 -11.664 2.975 6.089 1.00 0.00 C ATOM 0 H MET A 26 -10.517 2.889 -0.238 1.00 0.00 H new ATOM 0 HA MET A 26 -10.882 4.451 2.190 1.00 0.00 H new ATOM 0 HB2 MET A 26 -11.047 1.887 1.837 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.296 1.911 1.902 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.197 1.402 4.103 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.384 2.953 4.145 1.00 0.00 H new ATOM 0 HE1 MET A 26 -12.667 2.933 6.513 1.00 0.00 H new ATOM 0 HE2 MET A 26 -11.142 2.042 6.299 1.00 0.00 H new ATOM 0 HE3 MET A 26 -11.116 3.805 6.534 1.00 0.00 H new ATOM 406 N SER A 27 -8.431 4.986 2.856 1.00 0.00 N ATOM 407 CA SER A 27 -7.164 5.692 3.044 1.00 0.00 C ATOM 408 C SER A 27 -6.056 4.697 3.309 1.00 0.00 C ATOM 409 O SER A 27 -6.265 3.699 4.013 1.00 0.00 O ATOM 410 CB SER A 27 -7.290 6.620 4.251 1.00 0.00 C ATOM 411 OG SER A 27 -8.493 7.369 4.207 1.00 0.00 O ATOM 0 H SER A 27 -9.007 4.932 3.696 1.00 0.00 H new ATOM 0 HA SER A 27 -6.932 6.264 2.146 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.260 6.032 5.168 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.438 7.299 4.280 1.00 0.00 H new ATOM 0 HG SER A 27 -8.545 7.951 4.993 1.00 0.00 H new ATOM 417 N LEU A 28 -4.878 4.960 2.760 1.00 0.00 N ATOM 418 CA LEU A 28 -3.728 4.087 2.975 1.00 0.00 C ATOM 419 C LEU A 28 -3.342 4.126 4.459 1.00 0.00 C ATOM 420 O LEU A 28 -2.897 3.148 5.013 1.00 0.00 O ATOM 421 CB LEU A 28 -2.568 4.541 2.077 1.00 0.00 C ATOM 422 CG LEU A 28 -1.379 3.561 1.815 1.00 0.00 C ATOM 423 CD1 LEU A 28 -0.532 3.326 3.044 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.883 2.239 1.262 1.00 0.00 C ATOM 0 H LEU A 28 -4.692 5.767 2.165 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.973 3.058 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.989 4.812 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.154 5.451 2.511 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.740 4.040 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.278 2.638 2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.113 4.273 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.148 2.897 3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.039 1.572 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.565 1.781 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.408 2.414 0.323 1.00 0.00 H new ATOM 436 N ASN A 29 -3.546 5.263 5.089 1.00 0.00 N ATOM 437 CA ASN A 29 -3.277 5.393 6.546 1.00 0.00 C ATOM 438 C ASN A 29 -4.191 4.509 7.348 1.00 0.00 C ATOM 439 O ASN A 29 -3.786 3.962 8.360 1.00 0.00 O ATOM 440 CB ASN A 29 -3.350 6.843 7.054 1.00 0.00 C ATOM 441 CG ASN A 29 -2.224 7.712 6.541 1.00 0.00 C ATOM 442 OD1 ASN A 29 -1.126 7.231 6.262 1.00 0.00 O ATOM 443 ND2 ASN A 29 -2.475 8.990 6.424 1.00 0.00 N ATOM 0 H ASN A 29 -3.892 6.112 4.642 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.248 5.064 6.689 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.303 7.279 6.753 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.331 6.841 8.144 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.748 9.624 6.092 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.397 9.353 6.665 1.00 0.00 H new ATOM 450 N ASP A 30 -5.421 4.331 6.879 1.00 0.00 N ATOM 451 CA ASP A 30 -6.354 3.447 7.566 1.00 0.00 C ATOM 452 C ASP A 30 -5.919 2.003 7.339 1.00 0.00 C ATOM 453 O ASP A 30 -6.097 1.127 8.188 1.00 0.00 O ATOM 454 CB ASP A 30 -7.748 3.642 7.024 1.00 0.00 C ATOM 455 CG ASP A 30 -8.786 2.924 7.849 1.00 0.00 C ATOM 456 OD1 ASP A 30 -9.007 1.718 7.632 1.00 0.00 O ATOM 457 OD2 ASP A 30 -9.396 3.568 8.728 1.00 0.00 O ATOM 0 H ASP A 30 -5.791 4.779 6.040 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.355 3.676 8.632 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.980 4.707 6.998 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.790 3.281 5.996 1.00 0.00 H new ATOM 462 N LEU A 31 -5.330 1.787 6.178 1.00 0.00 N ATOM 463 CA LEU A 31 -4.790 0.493 5.777 1.00 0.00 C ATOM 464 C LEU A 31 -3.642 0.153 6.722 1.00 0.00 C ATOM 465 O LEU A 31 -3.590 -0.944 7.296 1.00 0.00 O ATOM 466 CB LEU A 31 -4.312 0.608 4.290 1.00 0.00 C ATOM 467 CG LEU A 31 -3.798 -0.647 3.530 1.00 0.00 C ATOM 468 CD1 LEU A 31 -2.476 -1.167 4.062 1.00 0.00 C ATOM 469 CD2 LEU A 31 -4.838 -1.736 3.537 1.00 0.00 C ATOM 0 H LEU A 31 -5.209 2.514 5.473 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.532 -0.303 5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.144 1.015 3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.514 1.350 4.265 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.616 -0.332 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.173 -2.043 3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.716 -0.391 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.588 -1.441 5.111 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.458 -2.605 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.065 -2.016 4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.745 -1.376 3.050 1.00 0.00 H new ATOM 481 N LYS A 32 -2.751 1.121 6.901 1.00 0.00 N ATOM 482 CA LYS A 32 -1.615 0.992 7.814 1.00 0.00 C ATOM 483 C LYS A 32 -2.106 0.776 9.208 1.00 0.00 C ATOM 484 O LYS A 32 -1.593 -0.035 9.894 1.00 0.00 O ATOM 485 CB LYS A 32 -0.731 2.247 7.809 1.00 0.00 C ATOM 486 CG LYS A 32 -0.212 2.639 6.453 1.00 0.00 C ATOM 487 CD LYS A 32 0.763 3.828 6.510 1.00 0.00 C ATOM 488 CE LYS A 32 2.011 3.522 7.345 1.00 0.00 C ATOM 489 NZ LYS A 32 2.983 4.645 7.331 1.00 0.00 N ATOM 0 H LYS A 32 -2.793 2.019 6.419 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.024 0.142 7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.302 3.080 8.220 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.116 2.082 8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.290 1.784 6.000 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.052 2.894 5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.064 4.096 5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.251 4.694 6.930 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.716 3.312 8.373 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.492 2.622 6.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.708 4.486 8.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.437 4.699 6.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.486 5.537 7.526 1.00 0.00 H new ATOM 503 N LYS A 33 -3.124 1.513 9.598 1.00 0.00 N ATOM 504 CA LYS A 33 -3.683 1.439 10.923 1.00 0.00 C ATOM 505 C LYS A 33 -4.201 0.028 11.241 1.00 0.00 C ATOM 506 O LYS A 33 -4.087 -0.448 12.372 1.00 0.00 O ATOM 507 CB LYS A 33 -4.809 2.460 11.042 1.00 0.00 C ATOM 508 CG LYS A 33 -5.260 2.713 12.454 1.00 0.00 C ATOM 509 CD LYS A 33 -4.099 3.205 13.299 1.00 0.00 C ATOM 510 CE LYS A 33 -3.482 4.493 12.746 1.00 0.00 C ATOM 511 NZ LYS A 33 -2.301 4.892 13.525 1.00 0.00 N ATOM 0 H LYS A 33 -3.590 2.188 8.992 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.900 1.664 11.647 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.479 3.402 10.603 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.661 2.116 10.456 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.061 3.452 12.460 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.668 1.797 12.882 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.443 3.378 14.319 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.334 2.430 13.348 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.201 4.346 11.703 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.222 5.293 12.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.166 5.920 13.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.440 4.635 14.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.460 4.404 13.156 1.00 0.00 H new ATOM 525 N LYS A 34 -4.736 -0.639 10.238 1.00 0.00 N ATOM 526 CA LYS A 34 -5.250 -1.961 10.393 1.00 0.00 C ATOM 527 C LYS A 34 -4.038 -2.896 10.572 1.00 0.00 C ATOM 528 O LYS A 34 -4.071 -3.851 11.343 1.00 0.00 O ATOM 529 CB LYS A 34 -6.061 -2.298 9.123 1.00 0.00 C ATOM 530 CG LYS A 34 -7.136 -3.360 9.295 1.00 0.00 C ATOM 531 CD LYS A 34 -6.585 -4.711 9.660 1.00 0.00 C ATOM 532 CE LYS A 34 -5.787 -5.330 8.523 1.00 0.00 C ATOM 533 NZ LYS A 34 -5.437 -6.742 8.797 1.00 0.00 N ATOM 0 H LYS A 34 -4.821 -0.266 9.292 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.908 -2.069 11.256 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.532 -1.384 8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.369 -2.628 8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.834 -3.039 10.068 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.704 -3.445 8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.948 -4.617 10.540 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.406 -5.376 9.930 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.365 -5.272 7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.875 -4.754 8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.449 -6.915 8.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.552 -6.938 9.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.063 -7.367 8.251 1.00 0.00 H new ATOM 547 N LEU A 35 -2.976 -2.579 9.871 1.00 0.00 N ATOM 548 CA LEU A 35 -1.727 -3.286 9.966 1.00 0.00 C ATOM 549 C LEU A 35 -1.062 -3.015 11.330 1.00 0.00 C ATOM 550 O LEU A 35 -0.564 -3.930 11.977 1.00 0.00 O ATOM 551 CB LEU A 35 -0.822 -2.856 8.814 1.00 0.00 C ATOM 552 CG LEU A 35 -1.292 -3.219 7.408 1.00 0.00 C ATOM 553 CD1 LEU A 35 -0.260 -2.795 6.379 1.00 0.00 C ATOM 554 CD2 LEU A 35 -1.585 -4.709 7.296 1.00 0.00 C ATOM 0 H LEU A 35 -2.958 -1.806 9.206 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.903 -4.359 9.893 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.697 -1.774 8.864 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.162 -3.298 8.970 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.219 -2.681 7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.610 -3.061 5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.111 -1.717 6.436 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.684 -3.302 6.580 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.918 -4.939 6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.681 -5.275 7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.367 -4.980 8.006 1.00 0.00 H new ATOM 566 N GLU A 36 -1.094 -1.756 11.756 1.00 0.00 N ATOM 567 CA GLU A 36 -0.600 -1.303 13.037 1.00 0.00 C ATOM 568 C GLU A 36 -1.268 -2.058 14.165 1.00 0.00 C ATOM 569 O GLU A 36 -0.640 -2.410 15.146 1.00 0.00 O ATOM 570 CB GLU A 36 -0.885 0.194 13.183 1.00 0.00 C ATOM 571 CG GLU A 36 -0.019 1.110 12.337 1.00 0.00 C ATOM 572 CD GLU A 36 -0.411 2.560 12.486 1.00 0.00 C ATOM 573 OE1 GLU A 36 -0.190 3.145 13.576 1.00 0.00 O ATOM 574 OE2 GLU A 36 -0.941 3.141 11.542 1.00 0.00 O ATOM 0 H GLU A 36 -1.481 -1.000 11.191 1.00 0.00 H new ATOM 0 HA GLU A 36 0.473 -1.486 13.087 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.930 0.374 12.929 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.760 0.469 14.230 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.026 0.986 12.623 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.100 0.819 11.290 1.00 0.00 H new ATOM 581 N LEU A 37 -2.535 -2.316 14.000 1.00 0.00 N ATOM 582 CA LEU A 37 -3.319 -3.028 14.986 1.00 0.00 C ATOM 583 C LEU A 37 -2.870 -4.487 15.109 1.00 0.00 C ATOM 584 O LEU A 37 -2.886 -5.061 16.197 1.00 0.00 O ATOM 585 CB LEU A 37 -4.803 -2.954 14.608 1.00 0.00 C ATOM 586 CG LEU A 37 -5.800 -3.599 15.572 1.00 0.00 C ATOM 587 CD1 LEU A 37 -5.760 -2.924 16.934 1.00 0.00 C ATOM 588 CD2 LEU A 37 -7.202 -3.552 14.987 1.00 0.00 C ATOM 0 H LEU A 37 -3.063 -2.038 13.172 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.167 -2.556 15.957 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.072 -1.904 14.496 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.927 -3.421 13.631 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.516 -4.642 15.711 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.479 -3.403 17.599 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.759 -3.015 17.356 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.013 -1.869 16.825 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.902 -4.014 15.683 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.491 -2.515 14.817 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.220 -4.093 14.041 1.00 0.00 H new ATOM 600 N VAL A 38 -2.453 -5.060 14.006 1.00 0.00 N ATOM 601 CA VAL A 38 -2.059 -6.460 13.976 1.00 0.00 C ATOM 602 C VAL A 38 -0.577 -6.644 14.323 1.00 0.00 C ATOM 603 O VAL A 38 -0.214 -7.555 15.060 1.00 0.00 O ATOM 604 CB VAL A 38 -2.353 -7.097 12.584 1.00 0.00 C ATOM 605 CG1 VAL A 38 -1.952 -8.566 12.542 1.00 0.00 C ATOM 606 CG2 VAL A 38 -3.818 -6.947 12.232 1.00 0.00 C ATOM 0 H VAL A 38 -2.375 -4.581 13.109 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.654 -6.969 14.734 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.752 -6.565 11.846 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.172 -8.975 11.556 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.885 -8.658 12.743 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.512 -9.118 13.297 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.006 -7.397 11.257 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.426 -7.447 12.986 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.078 -5.889 12.199 1.00 0.00 H new ATOM 616 N VAL A 39 0.266 -5.778 13.803 1.00 0.00 N ATOM 617 CA VAL A 39 1.700 -5.922 13.996 1.00 0.00 C ATOM 618 C VAL A 39 2.187 -5.129 15.227 1.00 0.00 C ATOM 619 O VAL A 39 3.291 -5.349 15.730 1.00 0.00 O ATOM 620 CB VAL A 39 2.491 -5.501 12.709 1.00 0.00 C ATOM 621 CG1 VAL A 39 3.978 -5.844 12.821 1.00 0.00 C ATOM 622 CG2 VAL A 39 1.893 -6.154 11.468 1.00 0.00 C ATOM 0 H VAL A 39 -0.011 -4.970 13.246 1.00 0.00 H new ATOM 0 HA VAL A 39 1.899 -6.977 14.182 1.00 0.00 H new ATOM 0 HB VAL A 39 2.403 -4.419 12.615 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.492 -5.537 11.910 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.409 -5.321 13.675 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.094 -6.919 12.958 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.458 -5.848 10.588 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.939 -7.238 11.569 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.854 -5.844 11.359 1.00 0.00 H new ATOM 632 N GLY A 40 1.361 -4.211 15.721 1.00 0.00 N ATOM 633 CA GLY A 40 1.752 -3.413 16.879 1.00 0.00 C ATOM 634 C GLY A 40 2.638 -2.244 16.490 1.00 0.00 C ATOM 635 O GLY A 40 3.102 -1.482 17.345 1.00 0.00 O ATOM 0 H GLY A 40 0.435 -4.004 15.347 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.859 -3.040 17.381 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.279 -4.045 17.594 1.00 0.00 H new ATOM 639 N THR A 41 2.864 -2.110 15.208 1.00 0.00 N ATOM 640 CA THR A 41 3.694 -1.062 14.644 1.00 0.00 C ATOM 641 C THR A 41 2.992 0.316 14.768 1.00 0.00 C ATOM 642 O THR A 41 1.809 0.400 15.123 1.00 0.00 O ATOM 643 CB THR A 41 3.925 -1.397 13.164 1.00 0.00 C ATOM 644 OG1 THR A 41 4.297 -2.765 13.073 1.00 0.00 O ATOM 645 CG2 THR A 41 5.047 -0.574 12.554 1.00 0.00 C ATOM 0 H THR A 41 2.470 -2.737 14.507 1.00 0.00 H new ATOM 0 HA THR A 41 4.641 -1.005 15.181 1.00 0.00 H new ATOM 0 HB THR A 41 3.004 -1.177 12.624 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.098 -2.923 13.615 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.171 -0.848 11.506 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.801 0.486 12.625 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.975 -0.768 13.092 1.00 0.00 H new ATOM 653 N THR A 42 3.724 1.369 14.491 1.00 0.00 N ATOM 654 CA THR A 42 3.203 2.718 14.533 1.00 0.00 C ATOM 655 C THR A 42 3.256 3.275 13.087 1.00 0.00 C ATOM 656 O THR A 42 3.859 2.646 12.224 1.00 0.00 O ATOM 657 CB THR A 42 4.073 3.588 15.465 1.00 0.00 C ATOM 658 OG1 THR A 42 4.434 2.811 16.619 1.00 0.00 O ATOM 659 CG2 THR A 42 3.285 4.793 15.962 1.00 0.00 C ATOM 0 H THR A 42 4.708 1.315 14.227 1.00 0.00 H new ATOM 0 HA THR A 42 2.182 2.728 14.914 1.00 0.00 H new ATOM 0 HB THR A 42 4.950 3.919 14.909 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.989 3.353 17.218 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.915 5.394 16.618 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.967 5.396 15.111 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.409 4.452 16.513 1.00 0.00 H new ATOM 667 N VAL A 43 2.669 4.442 12.842 1.00 0.00 N ATOM 668 CA VAL A 43 2.559 4.995 11.478 1.00 0.00 C ATOM 669 C VAL A 43 3.923 5.289 10.852 1.00 0.00 C ATOM 670 O VAL A 43 4.199 4.865 9.728 1.00 0.00 O ATOM 671 CB VAL A 43 1.719 6.307 11.459 1.00 0.00 C ATOM 672 CG1 VAL A 43 1.527 6.826 10.044 1.00 0.00 C ATOM 673 CG2 VAL A 43 0.385 6.123 12.142 1.00 0.00 C ATOM 0 H VAL A 43 2.258 5.032 13.566 1.00 0.00 H new ATOM 0 HA VAL A 43 2.060 4.224 10.891 1.00 0.00 H new ATOM 0 HB VAL A 43 2.283 7.053 12.019 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.937 7.742 10.069 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.499 7.033 9.597 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.007 6.076 9.449 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.173 7.059 12.109 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.181 5.345 11.630 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.545 5.832 13.180 1.00 0.00 H new ATOM 683 N ASP A 44 4.775 5.970 11.579 1.00 0.00 N ATOM 684 CA ASP A 44 6.090 6.345 11.051 1.00 0.00 C ATOM 685 C ASP A 44 7.032 5.173 11.119 1.00 0.00 C ATOM 686 O ASP A 44 7.933 5.028 10.306 1.00 0.00 O ATOM 687 CB ASP A 44 6.664 7.532 11.817 1.00 0.00 C ATOM 688 CG ASP A 44 8.021 7.980 11.296 1.00 0.00 C ATOM 689 OD1 ASP A 44 8.065 8.793 10.337 1.00 0.00 O ATOM 690 OD2 ASP A 44 9.053 7.551 11.841 1.00 0.00 O ATOM 0 H ASP A 44 4.595 6.280 12.534 1.00 0.00 H new ATOM 0 HA ASP A 44 5.969 6.639 10.008 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.965 8.367 11.758 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.756 7.267 12.870 1.00 0.00 H new ATOM 695 N SER A 45 6.781 4.312 12.068 1.00 0.00 N ATOM 696 CA SER A 45 7.566 3.162 12.286 1.00 0.00 C ATOM 697 C SER A 45 7.201 2.030 11.303 1.00 0.00 C ATOM 698 O SER A 45 7.767 0.936 11.353 1.00 0.00 O ATOM 699 CB SER A 45 7.335 2.728 13.694 1.00 0.00 C ATOM 700 OG SER A 45 7.596 3.790 14.609 1.00 0.00 O ATOM 0 H SER A 45 6.002 4.408 12.719 1.00 0.00 H new ATOM 0 HA SER A 45 8.618 3.393 12.117 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.305 2.390 13.809 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.977 1.878 13.926 1.00 0.00 H new ATOM 0 HG SER A 45 7.435 3.480 15.525 1.00 0.00 H new ATOM 706 N MET A 46 6.250 2.286 10.450 1.00 0.00 N ATOM 707 CA MET A 46 5.869 1.320 9.442 1.00 0.00 C ATOM 708 C MET A 46 6.241 1.808 8.055 1.00 0.00 C ATOM 709 O MET A 46 5.659 2.780 7.547 1.00 0.00 O ATOM 710 CB MET A 46 4.368 1.031 9.492 1.00 0.00 C ATOM 711 CG MET A 46 3.918 -0.017 8.485 1.00 0.00 C ATOM 712 SD MET A 46 2.144 -0.328 8.525 1.00 0.00 S ATOM 713 CE MET A 46 1.948 -0.943 10.190 1.00 0.00 C ATOM 0 H MET A 46 5.719 3.157 10.427 1.00 0.00 H new ATOM 0 HA MET A 46 6.413 0.400 9.655 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.104 0.697 10.495 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.822 1.956 9.310 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.201 0.307 7.483 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.448 -0.949 8.680 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.968 -1.410 10.293 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.724 -1.679 10.400 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.032 -0.116 10.895 1.00 0.00 H new ATOM 723 N ARG A 47 7.187 1.139 7.451 1.00 0.00 N ATOM 724 CA ARG A 47 7.597 1.434 6.097 1.00 0.00 C ATOM 725 C ARG A 47 6.899 0.430 5.195 1.00 0.00 C ATOM 726 O ARG A 47 6.916 -0.768 5.476 1.00 0.00 O ATOM 727 CB ARG A 47 9.124 1.311 5.977 1.00 0.00 C ATOM 728 CG ARG A 47 9.711 1.661 4.611 1.00 0.00 C ATOM 729 CD ARG A 47 9.447 3.116 4.226 1.00 0.00 C ATOM 730 NE ARG A 47 9.987 4.069 5.203 1.00 0.00 N ATOM 731 CZ ARG A 47 10.115 5.391 5.001 1.00 0.00 C ATOM 732 NH1 ARG A 47 9.841 5.924 3.813 1.00 0.00 N ATOM 733 NH2 ARG A 47 10.540 6.175 5.985 1.00 0.00 N ATOM 0 H ARG A 47 7.699 0.370 7.883 1.00 0.00 H new ATOM 0 HA ARG A 47 7.327 2.451 5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.582 1.958 6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.408 0.288 6.223 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.786 1.479 4.622 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.284 1.003 3.854 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.888 3.315 3.249 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.373 3.272 4.128 1.00 0.00 H new ATOM 0 HE ARG A 47 10.288 3.699 6.105 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.531 5.328 3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.941 6.929 3.670 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.769 5.773 6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.637 7.179 5.832 1.00 0.00 H new ATOM 747 N ILE A 48 6.260 0.889 4.144 1.00 0.00 N ATOM 748 CA ILE A 48 5.500 -0.023 3.313 1.00 0.00 C ATOM 749 C ILE A 48 5.918 0.073 1.846 1.00 0.00 C ATOM 750 O ILE A 48 6.026 1.163 1.296 1.00 0.00 O ATOM 751 CB ILE A 48 3.978 0.230 3.433 1.00 0.00 C ATOM 752 CG1 ILE A 48 3.536 0.189 4.891 1.00 0.00 C ATOM 753 CG2 ILE A 48 3.211 -0.816 2.656 1.00 0.00 C ATOM 754 CD1 ILE A 48 2.058 0.412 5.077 1.00 0.00 C ATOM 0 H ILE A 48 6.248 1.865 3.847 1.00 0.00 H new ATOM 0 HA ILE A 48 5.718 -1.028 3.676 1.00 0.00 H new ATOM 0 HB ILE A 48 3.769 1.218 3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.806 -0.777 5.317 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.083 0.948 5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.142 -0.627 2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.498 -0.772 1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.440 -1.805 3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.814 0.370 6.139 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.785 1.390 4.681 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.504 -0.362 4.546 1.00 0.00 H new ATOM 766 N GLN A 49 6.096 -1.076 1.226 1.00 0.00 N ATOM 767 CA GLN A 49 6.524 -1.188 -0.148 1.00 0.00 C ATOM 768 C GLN A 49 5.395 -1.733 -1.015 1.00 0.00 C ATOM 769 O GLN A 49 4.661 -2.628 -0.591 1.00 0.00 O ATOM 770 CB GLN A 49 7.730 -2.117 -0.235 1.00 0.00 C ATOM 771 CG GLN A 49 8.961 -1.574 0.454 1.00 0.00 C ATOM 772 CD GLN A 49 10.102 -2.574 0.498 1.00 0.00 C ATOM 773 OE1 GLN A 49 9.884 -3.789 0.549 1.00 0.00 O ATOM 774 NE2 GLN A 49 11.310 -2.082 0.475 1.00 0.00 N ATOM 0 H GLN A 49 5.943 -1.978 1.677 1.00 0.00 H new ATOM 0 HA GLN A 49 6.798 -0.198 -0.511 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.470 -3.079 0.207 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.962 -2.301 -1.284 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.293 -0.674 -0.063 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.702 -1.280 1.471 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.449 -1.072 0.433 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.116 -2.707 0.499 1.00 0.00 H new ATOM 783 N LEU A 50 5.248 -1.180 -2.206 1.00 0.00 N ATOM 784 CA LEU A 50 4.210 -1.618 -3.150 1.00 0.00 C ATOM 785 C LEU A 50 4.825 -2.360 -4.316 1.00 0.00 C ATOM 786 O LEU A 50 5.576 -1.781 -5.129 1.00 0.00 O ATOM 787 CB LEU A 50 3.362 -0.400 -3.655 1.00 0.00 C ATOM 788 CG LEU A 50 2.125 -0.661 -4.586 1.00 0.00 C ATOM 789 CD1 LEU A 50 1.298 0.598 -4.670 1.00 0.00 C ATOM 790 CD2 LEU A 50 2.550 -1.005 -6.002 1.00 0.00 C ATOM 0 H LEU A 50 5.834 -0.421 -2.553 1.00 0.00 H new ATOM 0 HA LEU A 50 3.542 -2.300 -2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.004 0.137 -2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.036 0.272 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 50 1.566 -1.494 -4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.437 0.425 -5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.955 0.875 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.904 1.405 -5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.666 -1.179 -6.615 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.125 -0.179 -6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.165 -1.905 -5.989 1.00 0.00 H new ATOM 802 N PHE A 51 4.515 -3.612 -4.400 1.00 0.00 N ATOM 803 CA PHE A 51 4.927 -4.422 -5.505 1.00 0.00 C ATOM 804 C PHE A 51 3.713 -4.685 -6.358 1.00 0.00 C ATOM 805 O PHE A 51 2.681 -5.145 -5.848 1.00 0.00 O ATOM 806 CB PHE A 51 5.560 -5.738 -5.035 1.00 0.00 C ATOM 807 CG PHE A 51 6.826 -5.550 -4.247 1.00 0.00 C ATOM 808 CD1 PHE A 51 8.049 -5.501 -4.890 1.00 0.00 C ATOM 809 CD2 PHE A 51 6.792 -5.420 -2.868 1.00 0.00 C ATOM 810 CE1 PHE A 51 9.216 -5.323 -4.178 1.00 0.00 C ATOM 811 CE2 PHE A 51 7.954 -5.242 -2.150 1.00 0.00 C ATOM 812 CZ PHE A 51 9.169 -5.193 -2.806 1.00 0.00 C ATOM 0 H PHE A 51 3.964 -4.108 -3.699 1.00 0.00 H new ATOM 0 HA PHE A 51 5.691 -3.899 -6.080 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.839 -6.280 -4.424 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.772 -6.360 -5.905 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.091 -5.604 -5.964 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.845 -5.459 -2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.164 -5.285 -4.693 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.915 -5.141 -1.075 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.081 -5.053 -2.245 1.00 0.00 H new ATOM 822 N ASP A 52 3.825 -4.357 -7.640 1.00 0.00 N ATOM 823 CA ASP A 52 2.718 -4.509 -8.604 1.00 0.00 C ATOM 824 C ASP A 52 2.240 -5.929 -8.593 1.00 0.00 C ATOM 825 O ASP A 52 1.073 -6.222 -8.334 1.00 0.00 O ATOM 826 CB ASP A 52 3.208 -4.155 -10.006 1.00 0.00 C ATOM 827 CG ASP A 52 2.110 -4.149 -11.057 1.00 0.00 C ATOM 828 OD1 ASP A 52 1.838 -5.201 -11.653 1.00 0.00 O ATOM 829 OD2 ASP A 52 1.524 -3.073 -11.317 1.00 0.00 O ATOM 0 H ASP A 52 4.679 -3.978 -8.049 1.00 0.00 H new ATOM 0 HA ASP A 52 1.901 -3.844 -8.324 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.677 -3.172 -9.979 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.978 -4.868 -10.302 1.00 0.00 H new ATOM 834 N GLY A 53 3.156 -6.782 -8.859 1.00 0.00 N ATOM 835 CA GLY A 53 2.922 -8.191 -8.822 1.00 0.00 C ATOM 836 C GLY A 53 3.987 -8.876 -8.019 1.00 0.00 C ATOM 837 O GLY A 53 3.719 -9.400 -6.933 1.00 0.00 O ATOM 0 H GLY A 53 4.110 -6.525 -9.114 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.943 -8.392 -8.387 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.908 -8.591 -9.836 1.00 0.00 H new ATOM 841 N ASP A 54 5.201 -8.858 -8.535 1.00 0.00 N ATOM 842 CA ASP A 54 6.343 -9.471 -7.869 1.00 0.00 C ATOM 843 C ASP A 54 7.638 -8.841 -8.371 1.00 0.00 C ATOM 844 O ASP A 54 7.675 -8.302 -9.485 1.00 0.00 O ATOM 845 CB ASP A 54 6.360 -11.000 -8.128 1.00 0.00 C ATOM 846 CG ASP A 54 7.548 -11.708 -7.495 1.00 0.00 C ATOM 847 OD1 ASP A 54 7.473 -12.067 -6.312 1.00 0.00 O ATOM 848 OD2 ASP A 54 8.577 -11.892 -8.178 1.00 0.00 O ATOM 0 H ASP A 54 5.427 -8.419 -9.427 1.00 0.00 H new ATOM 0 HA ASP A 54 6.257 -9.300 -6.796 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.439 -11.436 -7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.371 -11.179 -9.203 1.00 0.00 H new ATOM 853 N ASP A 55 8.675 -8.882 -7.530 1.00 0.00 N ATOM 854 CA ASP A 55 10.049 -8.425 -7.852 1.00 0.00 C ATOM 855 C ASP A 55 10.200 -6.917 -7.922 1.00 0.00 C ATOM 856 O ASP A 55 10.917 -6.327 -7.117 1.00 0.00 O ATOM 857 CB ASP A 55 10.592 -9.091 -9.130 1.00 0.00 C ATOM 858 CG ASP A 55 11.995 -8.641 -9.490 1.00 0.00 C ATOM 859 OD1 ASP A 55 12.973 -9.229 -8.956 1.00 0.00 O ATOM 860 OD2 ASP A 55 12.139 -7.713 -10.309 1.00 0.00 O ATOM 0 H ASP A 55 8.590 -9.242 -6.579 1.00 0.00 H new ATOM 0 HA ASP A 55 10.657 -8.750 -7.007 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.587 -10.173 -8.998 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.922 -8.868 -9.960 1.00 0.00 H new ATOM 865 N GLN A 56 9.537 -6.297 -8.859 1.00 0.00 N ATOM 866 CA GLN A 56 9.690 -4.891 -9.054 1.00 0.00 C ATOM 867 C GLN A 56 8.792 -4.023 -8.195 1.00 0.00 C ATOM 868 O GLN A 56 7.591 -4.284 -8.021 1.00 0.00 O ATOM 869 CB GLN A 56 9.728 -4.493 -10.542 1.00 0.00 C ATOM 870 CG GLN A 56 8.656 -5.114 -11.445 1.00 0.00 C ATOM 871 CD GLN A 56 7.233 -4.686 -11.158 1.00 0.00 C ATOM 872 OE1 GLN A 56 6.971 -3.578 -10.707 1.00 0.00 O ATOM 873 NE2 GLN A 56 6.316 -5.562 -11.430 1.00 0.00 N ATOM 0 H GLN A 56 8.884 -6.750 -9.499 1.00 0.00 H new ATOM 0 HA GLN A 56 10.684 -4.664 -8.668 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.642 -3.408 -10.607 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.706 -4.760 -10.941 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.890 -4.865 -12.480 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.715 -6.199 -11.356 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.577 -6.474 -11.805 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.334 -5.339 -11.269 1.00 0.00 H new ATOM 882 N LEU A 57 9.414 -3.046 -7.603 1.00 0.00 N ATOM 883 CA LEU A 57 8.764 -2.071 -6.783 1.00 0.00 C ATOM 884 C LEU A 57 8.197 -0.989 -7.683 1.00 0.00 C ATOM 885 O LEU A 57 8.896 -0.491 -8.577 1.00 0.00 O ATOM 886 CB LEU A 57 9.794 -1.459 -5.824 1.00 0.00 C ATOM 887 CG LEU A 57 9.268 -0.488 -4.769 1.00 0.00 C ATOM 888 CD1 LEU A 57 8.381 -1.210 -3.779 1.00 0.00 C ATOM 889 CD2 LEU A 57 10.412 0.195 -4.056 1.00 0.00 C ATOM 0 H LEU A 57 10.421 -2.903 -7.681 1.00 0.00 H new ATOM 0 HA LEU A 57 7.962 -2.530 -6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.304 -2.274 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.544 -0.938 -6.420 1.00 0.00 H new ATOM 0 HG LEU A 57 8.674 0.275 -5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.015 -0.503 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.535 -1.654 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.952 -1.995 -3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.016 0.883 -3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.035 -0.554 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.011 0.750 -4.778 1.00 0.00 H new ATOM 901 N LYS A 58 6.961 -0.638 -7.488 1.00 0.00 N ATOM 902 CA LYS A 58 6.376 0.446 -8.257 1.00 0.00 C ATOM 903 C LYS A 58 6.515 1.750 -7.518 1.00 0.00 C ATOM 904 O LYS A 58 6.874 2.776 -8.099 1.00 0.00 O ATOM 905 CB LYS A 58 4.914 0.178 -8.591 1.00 0.00 C ATOM 906 CG LYS A 58 4.670 -0.921 -9.611 1.00 0.00 C ATOM 907 CD LYS A 58 5.279 -0.568 -10.960 1.00 0.00 C ATOM 908 CE LYS A 58 4.969 -1.614 -12.017 1.00 0.00 C ATOM 909 NZ LYS A 58 5.593 -1.282 -13.315 1.00 0.00 N ATOM 0 H LYS A 58 6.334 -1.075 -6.812 1.00 0.00 H new ATOM 0 HA LYS A 58 6.922 0.512 -9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.390 -0.081 -7.671 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.469 1.101 -8.963 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.097 -1.856 -9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.598 -1.083 -9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.900 0.400 -11.286 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.359 -0.468 -10.855 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.325 -2.588 -11.681 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.889 -1.695 -12.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.359 -2.019 -14.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.234 -0.364 -13.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.625 -1.229 -13.200 1.00 0.00 H new ATOM 923 N GLY A 59 6.259 1.699 -6.239 1.00 0.00 N ATOM 924 CA GLY A 59 6.343 2.873 -5.418 1.00 0.00 C ATOM 925 C GLY A 59 6.319 2.503 -3.968 1.00 0.00 C ATOM 926 O GLY A 59 6.273 1.307 -3.633 1.00 0.00 O ATOM 0 H GLY A 59 5.989 0.850 -5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.260 3.418 -5.645 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.511 3.541 -5.643 1.00 0.00 H new ATOM 930 N GLU A 60 6.331 3.481 -3.108 1.00 0.00 N ATOM 931 CA GLU A 60 6.322 3.250 -1.724 1.00 0.00 C ATOM 932 C GLU A 60 5.129 3.974 -1.178 1.00 0.00 C ATOM 933 O GLU A 60 4.782 5.067 -1.655 1.00 0.00 O ATOM 934 CB GLU A 60 7.641 3.748 -1.116 1.00 0.00 C ATOM 935 CG GLU A 60 7.823 3.464 0.359 1.00 0.00 C ATOM 936 CD GLU A 60 9.169 3.901 0.865 1.00 0.00 C ATOM 937 OE1 GLU A 60 10.149 3.130 0.745 1.00 0.00 O ATOM 938 OE2 GLU A 60 9.273 5.017 1.395 1.00 0.00 O ATOM 0 H GLU A 60 6.347 4.467 -3.369 1.00 0.00 H new ATOM 0 HA GLU A 60 6.246 2.191 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.468 3.293 -1.661 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.710 4.824 -1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.043 3.974 0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.700 2.396 0.538 1.00 0.00 H new ATOM 945 N LEU A 61 4.479 3.369 -0.235 1.00 0.00 N ATOM 946 CA LEU A 61 3.278 3.919 0.340 1.00 0.00 C ATOM 947 C LEU A 61 3.643 4.952 1.393 1.00 0.00 C ATOM 948 O LEU A 61 4.700 5.589 1.293 1.00 0.00 O ATOM 949 CB LEU A 61 2.421 2.803 0.965 1.00 0.00 C ATOM 950 CG LEU A 61 1.864 1.699 0.048 1.00 0.00 C ATOM 951 CD1 LEU A 61 1.023 2.277 -1.074 1.00 0.00 C ATOM 952 CD2 LEU A 61 2.947 0.808 -0.497 1.00 0.00 C ATOM 0 H LEU A 61 4.762 2.474 0.165 1.00 0.00 H new ATOM 0 HA LEU A 61 2.696 4.399 -0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.019 2.320 1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.575 3.276 1.465 1.00 0.00 H new ATOM 0 HG LEU A 61 1.218 1.079 0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.647 1.468 -1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.183 2.829 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.633 2.949 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.503 0.046 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.651 1.404 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.472 0.327 0.328 1.00 0.00 H new ATOM 964 N THR A 62 2.760 5.115 2.394 1.00 0.00 N ATOM 965 CA THR A 62 2.935 6.080 3.456 1.00 0.00 C ATOM 966 C THR A 62 2.195 7.414 3.201 1.00 0.00 C ATOM 967 O THR A 62 2.129 8.305 4.057 1.00 0.00 O ATOM 968 CB THR A 62 4.421 6.157 3.973 1.00 0.00 C ATOM 969 OG1 THR A 62 4.613 5.357 5.162 1.00 0.00 O ATOM 970 CG2 THR A 62 4.996 7.554 4.089 1.00 0.00 C ATOM 0 H THR A 62 1.903 4.568 2.475 1.00 0.00 H new ATOM 0 HA THR A 62 2.407 5.706 4.333 1.00 0.00 H new ATOM 0 HB THR A 62 5.021 5.712 3.179 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.558 4.407 4.929 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.022 7.496 4.453 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.984 8.035 3.111 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.396 8.138 4.787 1.00 0.00 H new ATOM 978 N ASP A 63 1.569 7.499 2.047 1.00 0.00 N ATOM 979 CA ASP A 63 0.644 8.583 1.761 1.00 0.00 C ATOM 980 C ASP A 63 -0.730 8.035 1.955 1.00 0.00 C ATOM 981 O ASP A 63 -1.189 7.241 1.158 1.00 0.00 O ATOM 982 CB ASP A 63 0.716 9.072 0.327 1.00 0.00 C ATOM 983 CG ASP A 63 2.022 9.701 -0.078 1.00 0.00 C ATOM 984 OD1 ASP A 63 2.986 8.978 -0.394 1.00 0.00 O ATOM 985 OD2 ASP A 63 2.090 10.957 -0.101 1.00 0.00 O ATOM 0 H ASP A 63 1.682 6.829 1.286 1.00 0.00 H new ATOM 0 HA ASP A 63 0.894 9.419 2.415 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.517 8.230 -0.336 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.082 9.798 0.168 1.00 0.00 H new ATOM 990 N GLY A 64 -1.379 8.426 2.990 1.00 0.00 N ATOM 991 CA GLY A 64 -2.683 7.873 3.251 1.00 0.00 C ATOM 992 C GLY A 64 -3.776 8.858 3.168 1.00 0.00 C ATOM 993 O GLY A 64 -4.899 8.553 3.531 1.00 0.00 O ATOM 0 H GLY A 64 -1.048 9.113 3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.876 7.070 2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.685 7.425 4.245 1.00 0.00 H new ATOM 997 N ALA A 65 -3.471 10.042 2.709 1.00 0.00 N ATOM 998 CA ALA A 65 -4.507 11.014 2.482 1.00 0.00 C ATOM 999 C ALA A 65 -5.139 10.731 1.138 1.00 0.00 C ATOM 1000 O ALA A 65 -6.244 11.192 0.834 1.00 0.00 O ATOM 1001 CB ALA A 65 -3.964 12.414 2.554 1.00 0.00 C ATOM 0 H ALA A 65 -2.526 10.355 2.487 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.264 10.936 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.770 13.126 2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.535 12.588 3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.193 12.545 1.795 1.00 0.00 H new ATOM 1007 N LYS A 66 -4.429 9.948 0.343 1.00 0.00 N ATOM 1008 CA LYS A 66 -4.925 9.502 -0.919 1.00 0.00 C ATOM 1009 C LYS A 66 -5.542 8.134 -0.698 1.00 0.00 C ATOM 1010 O LYS A 66 -5.286 7.489 0.341 1.00 0.00 O ATOM 1011 CB LYS A 66 -3.810 9.383 -1.990 1.00 0.00 C ATOM 1012 CG LYS A 66 -2.993 10.650 -2.306 1.00 0.00 C ATOM 1013 CD LYS A 66 -1.982 10.993 -1.218 1.00 0.00 C ATOM 1014 CE LYS A 66 -1.147 12.213 -1.598 1.00 0.00 C ATOM 1015 NZ LYS A 66 -0.112 12.545 -0.577 1.00 0.00 N ATOM 0 H LYS A 66 -3.493 9.611 0.568 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.646 10.230 -1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.116 8.606 -1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.268 9.038 -2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.468 10.511 -3.251 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.674 11.491 -2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.505 11.186 -0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.326 10.140 -1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.660 12.031 -2.556 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.806 13.071 -1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.321 13.462 -0.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.555 12.597 0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.621 11.807 -0.573 1.00 0.00 H new ATOM 1029 N SER A 67 -6.318 7.679 -1.630 1.00 0.00 N ATOM 1030 CA SER A 67 -6.938 6.416 -1.513 1.00 0.00 C ATOM 1031 C SER A 67 -6.075 5.360 -2.130 1.00 0.00 C ATOM 1032 O SER A 67 -5.051 5.663 -2.764 1.00 0.00 O ATOM 1033 CB SER A 67 -8.280 6.457 -2.200 1.00 0.00 C ATOM 1034 OG SER A 67 -8.149 6.964 -3.525 1.00 0.00 O ATOM 0 H SER A 67 -6.534 8.181 -2.491 1.00 0.00 H new ATOM 0 HA SER A 67 -7.078 6.176 -0.459 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.711 5.456 -2.229 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.967 7.084 -1.631 1.00 0.00 H new ATOM 0 HG SER A 67 -9.029 6.982 -3.957 1.00 0.00 H new ATOM 1040 N LEU A 68 -6.496 4.135 -1.981 1.00 0.00 N ATOM 1041 CA LEU A 68 -5.791 3.007 -2.564 1.00 0.00 C ATOM 1042 C LEU A 68 -5.803 3.143 -4.077 1.00 0.00 C ATOM 1043 O LEU A 68 -4.817 2.860 -4.757 1.00 0.00 O ATOM 1044 CB LEU A 68 -6.463 1.688 -2.162 1.00 0.00 C ATOM 1045 CG LEU A 68 -6.548 1.389 -0.659 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -7.229 0.054 -0.426 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -5.168 1.392 -0.025 1.00 0.00 C ATOM 0 H LEU A 68 -7.333 3.882 -1.456 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.764 3.000 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.475 1.684 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.924 0.871 -2.642 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.140 2.175 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.282 -0.145 0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.237 0.082 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.658 -0.736 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.256 1.178 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.548 0.630 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.707 2.370 -0.161 1.00 0.00 H new ATOM 1059 N LYS A 69 -6.910 3.648 -4.579 1.00 0.00 N ATOM 1060 CA LYS A 69 -7.123 3.795 -5.998 1.00 0.00 C ATOM 1061 C LYS A 69 -6.219 4.875 -6.566 1.00 0.00 C ATOM 1062 O LYS A 69 -5.622 4.701 -7.626 1.00 0.00 O ATOM 1063 CB LYS A 69 -8.588 4.134 -6.264 1.00 0.00 C ATOM 1064 CG LYS A 69 -8.972 4.212 -7.733 1.00 0.00 C ATOM 1065 CD LYS A 69 -10.449 4.511 -7.888 1.00 0.00 C ATOM 1066 CE LYS A 69 -10.859 4.554 -9.348 1.00 0.00 C ATOM 1067 NZ LYS A 69 -12.301 4.831 -9.498 1.00 0.00 N ATOM 0 H LYS A 69 -7.691 3.969 -4.007 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.878 2.854 -6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.213 3.384 -5.780 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.816 5.090 -5.793 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.386 4.987 -8.226 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.733 3.270 -8.226 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.031 3.750 -7.368 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.679 5.466 -7.416 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.284 5.322 -9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.619 3.602 -9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.613 4.542 -10.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.833 4.297 -8.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.474 5.849 -9.371 1.00 0.00 H new ATOM 1081 N ASP A 70 -6.098 5.978 -5.841 1.00 0.00 N ATOM 1082 CA ASP A 70 -5.280 7.111 -6.291 1.00 0.00 C ATOM 1083 C ASP A 70 -3.813 6.735 -6.282 1.00 0.00 C ATOM 1084 O ASP A 70 -3.044 7.134 -7.159 1.00 0.00 O ATOM 1085 CB ASP A 70 -5.486 8.311 -5.384 1.00 0.00 C ATOM 1086 CG ASP A 70 -4.855 9.584 -5.940 1.00 0.00 C ATOM 1087 OD1 ASP A 70 -3.669 9.846 -5.695 1.00 0.00 O ATOM 1088 OD2 ASP A 70 -5.563 10.339 -6.642 1.00 0.00 O ATOM 0 H ASP A 70 -6.553 6.119 -4.939 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.587 7.367 -7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.554 8.473 -5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.060 8.098 -4.403 1.00 0.00 H new ATOM 1093 N LEU A 71 -3.436 5.943 -5.296 1.00 0.00 N ATOM 1094 CA LEU A 71 -2.051 5.488 -5.159 1.00 0.00 C ATOM 1095 C LEU A 71 -1.696 4.421 -6.188 1.00 0.00 C ATOM 1096 O LEU A 71 -0.531 4.103 -6.381 1.00 0.00 O ATOM 1097 CB LEU A 71 -1.781 4.948 -3.759 1.00 0.00 C ATOM 1098 CG LEU A 71 -1.887 5.939 -2.601 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -1.587 5.237 -1.306 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -0.937 7.115 -2.801 1.00 0.00 C ATOM 0 H LEU A 71 -4.066 5.596 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.422 6.361 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.478 4.131 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.778 4.520 -3.748 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.903 6.332 -2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.663 5.946 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.302 4.428 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.578 4.827 -1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.032 7.806 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.088 6.749 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.188 7.632 -3.727 1.00 0.00 H new ATOM 1112 N GLY A 72 -2.695 3.880 -6.838 1.00 0.00 N ATOM 1113 CA GLY A 72 -2.449 2.894 -7.860 1.00 0.00 C ATOM 1114 C GLY A 72 -2.421 1.488 -7.307 1.00 0.00 C ATOM 1115 O GLY A 72 -1.873 0.573 -7.934 1.00 0.00 O ATOM 0 H GLY A 72 -3.678 4.103 -6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.223 2.966 -8.624 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.498 3.109 -8.348 1.00 0.00 H new ATOM 1119 N VAL A 73 -3.011 1.311 -6.153 1.00 0.00 N ATOM 1120 CA VAL A 73 -3.081 0.020 -5.525 1.00 0.00 C ATOM 1121 C VAL A 73 -4.331 -0.670 -6.012 1.00 0.00 C ATOM 1122 O VAL A 73 -5.430 -0.293 -5.647 1.00 0.00 O ATOM 1123 CB VAL A 73 -3.147 0.125 -3.975 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -3.138 -1.256 -3.338 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -2.015 0.976 -3.426 1.00 0.00 C ATOM 0 H VAL A 73 -3.457 2.060 -5.623 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.181 -0.537 -5.785 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.086 0.616 -3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.185 -1.157 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.000 -1.824 -3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.223 -1.779 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.092 1.028 -2.340 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.059 0.531 -3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.080 1.981 -3.843 1.00 0.00 H new ATOM 1135 N ARG A 74 -4.168 -1.634 -6.865 1.00 0.00 N ATOM 1136 CA ARG A 74 -5.293 -2.369 -7.374 1.00 0.00 C ATOM 1137 C ARG A 74 -5.320 -3.754 -6.773 1.00 0.00 C ATOM 1138 O ARG A 74 -4.529 -4.060 -5.876 1.00 0.00 O ATOM 1139 CB ARG A 74 -5.271 -2.430 -8.900 1.00 0.00 C ATOM 1140 CG ARG A 74 -5.437 -1.079 -9.569 1.00 0.00 C ATOM 1141 CD ARG A 74 -5.431 -1.207 -11.080 1.00 0.00 C ATOM 1142 NE ARG A 74 -4.149 -1.699 -11.604 1.00 0.00 N ATOM 1143 CZ ARG A 74 -3.983 -2.282 -12.799 1.00 0.00 C ATOM 1144 NH1 ARG A 74 -5.021 -2.441 -13.617 1.00 0.00 N ATOM 1145 NH2 ARG A 74 -2.777 -2.681 -13.172 1.00 0.00 N ATOM 0 H ARG A 74 -3.263 -1.934 -7.227 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.205 -1.847 -7.085 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.328 -2.872 -9.223 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.067 -3.093 -9.239 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.372 -0.623 -9.244 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.632 -0.414 -9.255 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.228 -1.885 -11.386 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.651 -0.236 -11.523 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.324 -1.588 -11.014 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.947 -2.119 -13.335 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.891 -2.885 -14.526 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.980 -2.544 -12.551 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.645 -3.125 -14.081 1.00 0.00 H new ATOM 1159 N ASP A 75 -6.219 -4.586 -7.242 1.00 0.00 N ATOM 1160 CA ASP A 75 -6.328 -5.922 -6.715 1.00 0.00 C ATOM 1161 C ASP A 75 -5.202 -6.769 -7.193 1.00 0.00 C ATOM 1162 O ASP A 75 -4.712 -6.619 -8.317 1.00 0.00 O ATOM 1163 CB ASP A 75 -7.658 -6.590 -7.055 1.00 0.00 C ATOM 1164 CG ASP A 75 -7.874 -6.803 -8.538 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -8.276 -5.846 -9.237 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -7.640 -7.928 -9.034 1.00 0.00 O ATOM 0 H ASP A 75 -6.882 -4.362 -7.984 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.282 -5.828 -5.630 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.710 -7.553 -6.548 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.471 -5.979 -6.663 1.00 0.00 H new ATOM 1171 N GLY A 76 -4.787 -7.622 -6.338 1.00 0.00 N ATOM 1172 CA GLY A 76 -3.698 -8.537 -6.647 1.00 0.00 C ATOM 1173 C GLY A 76 -2.325 -7.936 -6.395 1.00 0.00 C ATOM 1174 O GLY A 76 -1.301 -8.569 -6.665 1.00 0.00 O ATOM 0 H GLY A 76 -5.174 -7.726 -5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.809 -9.440 -6.047 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.770 -8.838 -7.692 1.00 0.00 H new ATOM 1178 N TYR A 77 -2.305 -6.723 -5.898 1.00 0.00 N ATOM 1179 CA TYR A 77 -1.069 -6.035 -5.570 1.00 0.00 C ATOM 1180 C TYR A 77 -0.549 -6.448 -4.227 1.00 0.00 C ATOM 1181 O TYR A 77 -1.324 -6.838 -3.335 1.00 0.00 O ATOM 1182 CB TYR A 77 -1.250 -4.513 -5.643 1.00 0.00 C ATOM 1183 CG TYR A 77 -1.244 -3.963 -7.053 1.00 0.00 C ATOM 1184 CD1 TYR A 77 -2.129 -4.416 -8.022 1.00 0.00 C ATOM 1185 CD2 TYR A 77 -0.320 -3.007 -7.418 1.00 0.00 C ATOM 1186 CE1 TYR A 77 -2.093 -3.922 -9.307 1.00 0.00 C ATOM 1187 CE2 TYR A 77 -0.273 -2.512 -8.697 1.00 0.00 C ATOM 1188 CZ TYR A 77 -1.160 -2.972 -9.638 1.00 0.00 C ATOM 1189 OH TYR A 77 -1.107 -2.485 -10.918 1.00 0.00 O ATOM 0 H TYR A 77 -3.146 -6.179 -5.707 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.326 -6.324 -6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.191 -4.245 -5.163 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.454 -4.034 -5.073 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.859 -5.169 -7.764 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.381 -2.640 -6.683 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.793 -4.279 -10.048 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.459 -1.763 -8.962 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.185 -2.527 -11.246 1.00 0.00 H new ATOM 1199 N ARG A 78 0.749 -6.373 -4.073 1.00 0.00 N ATOM 1200 CA ARG A 78 1.376 -6.739 -2.838 1.00 0.00 C ATOM 1201 C ARG A 78 1.801 -5.532 -2.087 1.00 0.00 C ATOM 1202 O ARG A 78 2.559 -4.692 -2.589 1.00 0.00 O ATOM 1203 CB ARG A 78 2.572 -7.654 -3.040 1.00 0.00 C ATOM 1204 CG ARG A 78 2.240 -9.041 -3.511 1.00 0.00 C ATOM 1205 CD ARG A 78 3.499 -9.860 -3.635 1.00 0.00 C ATOM 1206 NE ARG A 78 3.230 -11.254 -3.980 1.00 0.00 N ATOM 1207 CZ ARG A 78 4.103 -12.059 -4.576 1.00 0.00 C ATOM 1208 NH1 ARG A 78 5.283 -11.585 -4.930 1.00 0.00 N ATOM 1209 NH2 ARG A 78 3.794 -13.332 -4.809 1.00 0.00 N ATOM 0 H ARG A 78 1.393 -6.058 -4.798 1.00 0.00 H new ATOM 0 HA ARG A 78 0.629 -7.287 -2.264 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.245 -7.193 -3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.117 -7.727 -2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.554 -9.517 -2.810 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.731 -8.995 -4.474 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.142 -9.419 -4.397 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.047 -9.822 -2.694 1.00 0.00 H new ATOM 0 HE ARG A 78 2.312 -11.634 -3.748 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.517 -10.610 -4.745 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.961 -12.194 -5.388 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.883 -13.695 -4.530 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.469 -13.945 -5.267 1.00 0.00 H new ATOM 1223 N ILE A 79 1.316 -5.440 -0.902 1.00 0.00 N ATOM 1224 CA ILE A 79 1.640 -4.373 -0.032 1.00 0.00 C ATOM 1225 C ILE A 79 2.477 -4.946 1.092 1.00 0.00 C ATOM 1226 O ILE A 79 2.013 -5.766 1.869 1.00 0.00 O ATOM 1227 CB ILE A 79 0.350 -3.698 0.516 1.00 0.00 C ATOM 1228 CG1 ILE A 79 -0.500 -3.128 -0.638 1.00 0.00 C ATOM 1229 CG2 ILE A 79 0.678 -2.609 1.515 1.00 0.00 C ATOM 1230 CD1 ILE A 79 0.214 -2.090 -1.494 1.00 0.00 C ATOM 0 H ILE A 79 0.669 -6.120 -0.503 1.00 0.00 H new ATOM 0 HA ILE A 79 2.198 -3.601 -0.562 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.229 -4.464 1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.820 -3.951 -1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.402 -2.679 -0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.246 -2.158 1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.227 -3.038 2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.290 -1.846 1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.457 -1.743 -2.280 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.510 -1.246 -0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.100 -2.537 -1.944 1.00 0.00 H new ATOM 1242 N HIS A 80 3.698 -4.543 1.147 1.00 0.00 N ATOM 1243 CA HIS A 80 4.631 -5.060 2.112 1.00 0.00 C ATOM 1244 C HIS A 80 4.922 -4.045 3.198 1.00 0.00 C ATOM 1245 O HIS A 80 5.486 -3.014 2.931 1.00 0.00 O ATOM 1246 CB HIS A 80 5.937 -5.453 1.395 1.00 0.00 C ATOM 1247 CG HIS A 80 7.014 -5.848 2.331 1.00 0.00 C ATOM 1248 ND1 HIS A 80 7.059 -7.072 2.930 1.00 0.00 N ATOM 1249 CD2 HIS A 80 8.039 -5.133 2.829 1.00 0.00 C ATOM 1250 CE1 HIS A 80 8.056 -7.109 3.775 1.00 0.00 C ATOM 1251 NE2 HIS A 80 8.679 -5.939 3.735 1.00 0.00 N ATOM 0 H HIS A 80 4.090 -3.839 0.522 1.00 0.00 H new ATOM 0 HA HIS A 80 4.189 -5.936 2.586 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.736 -6.278 0.712 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.279 -4.614 0.789 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.306 -4.120 2.566 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.326 -7.948 4.399 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.498 -5.682 4.286 1.00 0.00 H new ATOM 1260 N ALA A 81 4.585 -4.372 4.402 1.00 0.00 N ATOM 1261 CA ALA A 81 4.847 -3.507 5.522 1.00 0.00 C ATOM 1262 C ALA A 81 5.976 -4.069 6.359 1.00 0.00 C ATOM 1263 O ALA A 81 6.053 -5.285 6.589 1.00 0.00 O ATOM 1264 CB ALA A 81 3.594 -3.320 6.360 1.00 0.00 C ATOM 0 H ALA A 81 4.119 -5.246 4.645 1.00 0.00 H new ATOM 0 HA ALA A 81 5.148 -2.529 5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.814 -2.663 7.201 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.810 -2.875 5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.258 -4.287 6.733 1.00 0.00 H new ATOM 1270 N VAL A 82 6.853 -3.215 6.784 1.00 0.00 N ATOM 1271 CA VAL A 82 7.944 -3.607 7.601 1.00 0.00 C ATOM 1272 C VAL A 82 7.977 -2.753 8.858 1.00 0.00 C ATOM 1273 O VAL A 82 7.772 -1.523 8.811 1.00 0.00 O ATOM 1274 CB VAL A 82 9.300 -3.567 6.828 1.00 0.00 C ATOM 1275 CG1 VAL A 82 9.648 -2.176 6.339 1.00 0.00 C ATOM 1276 CG2 VAL A 82 10.429 -4.142 7.657 1.00 0.00 C ATOM 0 H VAL A 82 6.826 -2.218 6.568 1.00 0.00 H new ATOM 0 HA VAL A 82 7.798 -4.647 7.895 1.00 0.00 H new ATOM 0 HB VAL A 82 9.169 -4.195 5.947 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.600 -2.204 5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.868 -1.821 5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.727 -1.500 7.191 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.357 -4.098 7.088 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.538 -3.563 8.574 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.205 -5.179 7.907 1.00 0.00 H new ATOM 1286 N ASP A 83 8.172 -3.409 9.964 1.00 0.00 N ATOM 1287 CA ASP A 83 8.209 -2.773 11.255 1.00 0.00 C ATOM 1288 C ASP A 83 9.600 -2.320 11.583 1.00 0.00 C ATOM 1289 O ASP A 83 10.519 -3.124 11.720 1.00 0.00 O ATOM 1290 CB ASP A 83 7.733 -3.738 12.334 1.00 0.00 C ATOM 1291 CG ASP A 83 7.775 -3.145 13.727 1.00 0.00 C ATOM 1292 OD1 ASP A 83 8.841 -3.182 14.380 1.00 0.00 O ATOM 1293 OD2 ASP A 83 6.735 -2.634 14.193 1.00 0.00 O ATOM 0 H ASP A 83 8.313 -4.419 9.999 1.00 0.00 H new ATOM 0 HA ASP A 83 7.548 -1.907 11.221 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.713 -4.049 12.109 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.352 -4.635 12.309 1.00 0.00 H new ATOM 1298 N VAL A 84 9.762 -1.053 11.711 1.00 0.00 N ATOM 1299 CA VAL A 84 11.038 -0.518 12.098 1.00 0.00 C ATOM 1300 C VAL A 84 10.933 -0.021 13.542 1.00 0.00 C ATOM 1301 O VAL A 84 11.843 0.603 14.083 1.00 0.00 O ATOM 1302 CB VAL A 84 11.534 0.605 11.124 1.00 0.00 C ATOM 1303 CG1 VAL A 84 10.722 1.882 11.220 1.00 0.00 C ATOM 1304 CG2 VAL A 84 13.025 0.872 11.270 1.00 0.00 C ATOM 0 H VAL A 84 9.032 -0.357 11.556 1.00 0.00 H new ATOM 0 HA VAL A 84 11.790 -1.304 12.036 1.00 0.00 H new ATOM 0 HB VAL A 84 11.369 0.217 10.119 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.117 2.618 10.520 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.681 1.671 10.975 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.783 2.276 12.234 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.324 1.657 10.576 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.240 1.189 12.291 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.581 -0.039 11.049 1.00 0.00 H new ATOM 1314 N THR A 85 9.820 -0.371 14.180 1.00 0.00 N ATOM 1315 CA THR A 85 9.553 0.020 15.556 1.00 0.00 C ATOM 1316 C THR A 85 10.538 -0.717 16.462 1.00 0.00 C ATOM 1317 O THR A 85 10.986 -0.199 17.483 1.00 0.00 O ATOM 1318 CB THR A 85 8.127 -0.405 15.960 1.00 0.00 C ATOM 1319 OG1 THR A 85 7.217 -0.101 14.895 1.00 0.00 O ATOM 1320 CG2 THR A 85 7.679 0.328 17.213 1.00 0.00 C ATOM 0 H THR A 85 9.081 -0.932 13.757 1.00 0.00 H new ATOM 0 HA THR A 85 9.655 1.101 15.651 1.00 0.00 H new ATOM 0 HB THR A 85 8.132 -1.477 16.159 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.786 -0.926 14.587 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.670 0.012 17.478 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.359 0.097 18.033 1.00 0.00 H new ATOM 0 HG23 THR A 85 7.686 1.402 17.028 1.00 0.00 H new ATOM 1328 N GLY A 86 10.886 -1.917 16.047 1.00 0.00 N ATOM 1329 CA GLY A 86 11.872 -2.693 16.747 1.00 0.00 C ATOM 1330 C GLY A 86 13.149 -2.774 15.955 1.00 0.00 C ATOM 1331 O GLY A 86 14.013 -3.611 16.232 1.00 0.00 O ATOM 0 H GLY A 86 10.495 -2.373 15.223 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.070 -2.245 17.720 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.488 -3.697 16.931 1.00 0.00 H new ATOM 1335 N GLY A 87 13.268 -1.888 14.962 1.00 0.00 N ATOM 1336 CA GLY A 87 14.417 -1.880 14.073 1.00 0.00 C ATOM 1337 C GLY A 87 14.576 -3.198 13.341 1.00 0.00 C ATOM 1338 O GLY A 87 15.671 -3.758 13.286 1.00 0.00 O ATOM 0 H GLY A 87 12.576 -1.167 14.759 1.00 0.00 H new ATOM 0 HA2 GLY A 87 14.309 -1.073 13.348 1.00 0.00 H new ATOM 0 HA3 GLY A 87 15.319 -1.673 14.648 1.00 0.00 H new ATOM 1342 N ASN A 88 13.489 -3.690 12.786 1.00 0.00 N ATOM 1343 CA ASN A 88 13.481 -4.980 12.116 1.00 0.00 C ATOM 1344 C ASN A 88 13.740 -4.826 10.636 1.00 0.00 C ATOM 1345 O ASN A 88 13.292 -3.850 10.024 1.00 0.00 O ATOM 1346 CB ASN A 88 12.138 -5.696 12.336 1.00 0.00 C ATOM 1347 CG ASN A 88 11.883 -6.080 13.784 1.00 0.00 C ATOM 1348 OD1 ASN A 88 12.812 -6.392 14.538 1.00 0.00 O ATOM 1349 ND2 ASN A 88 10.639 -6.023 14.199 1.00 0.00 N ATOM 0 H ASN A 88 12.588 -3.212 12.784 1.00 0.00 H new ATOM 0 HA ASN A 88 14.281 -5.582 12.548 1.00 0.00 H new ATOM 0 HB2 ASN A 88 11.331 -5.049 11.993 1.00 0.00 H new ATOM 0 HB3 ASN A 88 12.110 -6.595 11.720 1.00 0.00 H new ATOM 0 HD21 ASN A 88 10.415 -6.240 15.170 1.00 0.00 H new ATOM 0 HD22 ASN A 88 9.896 -5.762 13.550 1.00 0.00 H new ATOM 1356 N GLU A 89 14.495 -5.784 10.069 1.00 0.00 N ATOM 1357 CA GLU A 89 14.817 -5.835 8.625 1.00 0.00 C ATOM 1358 C GLU A 89 15.664 -4.648 8.182 1.00 0.00 C ATOM 1359 O GLU A 89 15.749 -4.342 6.987 1.00 0.00 O ATOM 1360 CB GLU A 89 13.549 -5.914 7.776 1.00 0.00 C ATOM 1361 CG GLU A 89 12.684 -7.129 8.044 1.00 0.00 C ATOM 1362 CD GLU A 89 13.394 -8.426 7.790 1.00 0.00 C ATOM 1363 OE1 GLU A 89 13.645 -8.750 6.616 1.00 0.00 O ATOM 1364 OE2 GLU A 89 13.719 -9.137 8.760 1.00 0.00 O ATOM 0 H GLU A 89 14.904 -6.552 10.601 1.00 0.00 H new ATOM 0 HA GLU A 89 15.402 -6.742 8.471 1.00 0.00 H new ATOM 0 HB2 GLU A 89 12.955 -5.016 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.832 -5.911 6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.345 -7.104 9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.795 -7.080 7.416 1.00 0.00 H new ATOM 1371 N ASP A 90 16.300 -4.012 9.110 1.00 0.00 N ATOM 1372 CA ASP A 90 17.133 -2.885 8.808 1.00 0.00 C ATOM 1373 C ASP A 90 18.474 -3.098 9.434 1.00 0.00 C ATOM 1374 O ASP A 90 19.387 -3.565 8.735 1.00 0.00 O ATOM 1375 CB ASP A 90 16.501 -1.574 9.287 1.00 0.00 C ATOM 1376 CG ASP A 90 17.348 -0.364 8.949 1.00 0.00 C ATOM 1377 OD1 ASP A 90 17.275 0.119 7.803 1.00 0.00 O ATOM 1378 OD2 ASP A 90 18.082 0.135 9.825 1.00 0.00 O ATOM 0 H ASP A 90 16.260 -4.255 10.100 1.00 0.00 H new ATOM 0 HA ASP A 90 17.244 -2.801 7.727 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.516 -1.462 8.833 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.352 -1.619 10.366 1.00 0.00 H new TER 1383 ASP A 90