USER MOD reduce.3.24.130724 H: found=0, std=0, add=1089, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1098 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 10 MET CE :methyl -172:sc= -0.0205 (180deg=-0.081) USER MOD Set 1.2: A 119 MET CE :methyl -169:sc= 0 (180deg=-0.0546) USER MOD Set 1.3: A 128 GLN : amide:sc= 0 K(o=-0.021,f=-0.53) USER MOD Set 2.1: A 94 GLN : amide:sc= -0.206 K(o=-0.21,f=-0.88) USER MOD Set 2.2: A 107 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 65 GLN : amide:sc= 0.668 K(o=1.6,f=-0.64) USER MOD Set 3.2: A 68 LYS NZ :NH3+ 179:sc= 0.965 (180deg=0) USER MOD Set 4.1: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 13 ASN : amide:sc= 0.768 K(o=1.5,f=-2.6!) USER MOD Set 5.2: A 34 ASN : amide:sc= 0.742 K(o=1.5,f=0.1) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 1.65 K(o=1.6,f=-3.6!) USER MOD Single : A 7 TYR OH : rot 14:sc= 1.33 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.928 K(o=0.93,f=-0.49) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.699 K(o=0.7,f=-3!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 1.03 K(o=1,f=-3.4!) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= -0.026 (180deg=-0.026) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0791 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.619 K(o=0.62,f=-4.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 1.24 USER MOD Single : A 62 MET CE :methyl 168:sc= -0.399 (180deg=-0.438) USER MOD Single : A 75 THR OG1 : rot 44:sc= 0.0434 USER MOD Single : A 81 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.793) USER MOD Single : A 82 CYS SG : rot 65:sc= 0.968 USER MOD Single : A 83 MET CE :methyl 169:sc= 0 (180deg=-0.0643) USER MOD Single : A 84 THR OG1 : rot 61:sc= 1.22 USER MOD Single : A 85 THR OG1 : rot 90:sc= 1.21 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot -167:sc= -2.95! USER MOD Single : A 97 GLN : amide:sc= 0.242 K(o=0.24,f=-3.5!) USER MOD Single : A 98 LYS NZ :NH3+ 155:sc= 0.0437 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.411) USER MOD Single : A 108 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.25) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 CYS SG : rot 169:sc= 0.0102 USER MOD Single : A 127 LYS NZ :NH3+ -124:sc= 0.758 (180deg=-0.026) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -0.516 -2.271 -0.373 1.00 0.00 N ATOM 2 CA MET A 0 0.587 -3.267 -0.407 1.00 0.00 C ATOM 3 C MET A 0 1.990 -2.588 -0.611 1.00 0.00 C ATOM 4 O MET A 0 2.103 -1.710 -1.477 1.00 0.00 O ATOM 5 CB MET A 0 0.325 -4.337 -1.501 1.00 0.00 C ATOM 6 CG MET A 0 -0.807 -5.336 -1.190 1.00 0.00 C ATOM 7 SD MET A 0 -0.906 -6.561 -2.509 1.00 0.00 S ATOM 8 CE MET A 0 -2.256 -7.574 -1.880 1.00 0.00 C ATOM 0 H1 MET A 0 -1.423 -2.762 -0.237 1.00 0.00 H new ATOM 0 H2 MET A 0 -0.360 -1.607 0.412 1.00 0.00 H new ATOM 0 H3 MET A 0 -0.538 -1.746 -1.271 1.00 0.00 H new ATOM 0 HA MET A 0 0.609 -3.761 0.564 1.00 0.00 H new ATOM 0 HB2 MET A 0 0.090 -3.827 -2.435 1.00 0.00 H new ATOM 0 HB3 MET A 0 1.246 -4.897 -1.666 1.00 0.00 H new ATOM 0 HG2 MET A 0 -0.620 -5.828 -0.235 1.00 0.00 H new ATOM 0 HG3 MET A 0 -1.756 -4.809 -1.097 1.00 0.00 H new ATOM 0 HE1 MET A 0 -2.455 -8.388 -2.577 1.00 0.00 H new ATOM 0 HE2 MET A 0 -1.980 -7.986 -0.909 1.00 0.00 H new ATOM 0 HE3 MET A 0 -3.151 -6.961 -1.773 1.00 0.00 H new ATOM 19 N PRO A 1 3.095 -2.974 0.099 1.00 0.00 N ATOM 20 CA PRO A 1 4.446 -2.396 -0.148 1.00 0.00 C ATOM 21 C PRO A 1 5.171 -2.869 -1.450 1.00 0.00 C ATOM 22 O PRO A 1 4.797 -3.849 -2.103 1.00 0.00 O ATOM 23 CB PRO A 1 5.200 -2.829 1.124 1.00 0.00 C ATOM 24 CG PRO A 1 4.543 -4.134 1.565 1.00 0.00 C ATOM 25 CD PRO A 1 3.071 -3.961 1.198 1.00 0.00 C ATOM 0 HA PRO A 1 4.395 -1.321 -0.323 1.00 0.00 H new ATOM 0 HB2 PRO A 1 6.261 -2.973 0.921 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.125 -2.069 1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.981 -4.992 1.055 1.00 0.00 H new ATOM 0 HG3 PRO A 1 4.669 -4.301 2.635 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.625 -4.903 0.880 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.487 -3.602 2.045 1.00 0.00 H new ATOM 33 N VAL A 2 6.271 -2.173 -1.782 1.00 0.00 N ATOM 34 CA VAL A 2 7.179 -2.578 -2.898 1.00 0.00 C ATOM 35 C VAL A 2 8.001 -3.884 -2.592 1.00 0.00 C ATOM 36 O VAL A 2 8.252 -4.250 -1.437 1.00 0.00 O ATOM 37 CB VAL A 2 8.097 -1.387 -3.358 1.00 0.00 C ATOM 38 CG1 VAL A 2 7.315 -0.167 -3.893 1.00 0.00 C ATOM 39 CG2 VAL A 2 9.140 -0.929 -2.313 1.00 0.00 C ATOM 0 H VAL A 2 6.564 -1.323 -1.299 1.00 0.00 H new ATOM 0 HA VAL A 2 6.533 -2.835 -3.738 1.00 0.00 H new ATOM 0 HB VAL A 2 8.651 -1.825 -4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.016 0.613 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.719 -0.467 -4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.658 0.215 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.725 -0.105 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.628 -0.599 -1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.803 -1.760 -2.072 1.00 0.00 H new ATOM 49 N ASP A 3 8.448 -4.578 -3.654 1.00 0.00 N ATOM 50 CA ASP A 3 9.417 -5.695 -3.526 1.00 0.00 C ATOM 51 C ASP A 3 10.887 -5.175 -3.562 1.00 0.00 C ATOM 52 O ASP A 3 11.364 -4.688 -4.593 1.00 0.00 O ATOM 53 CB ASP A 3 9.127 -6.711 -4.665 1.00 0.00 C ATOM 54 CG ASP A 3 8.141 -7.818 -4.301 1.00 0.00 C ATOM 55 OD1 ASP A 3 8.444 -9.007 -4.297 1.00 0.00 O ATOM 56 OD2 ASP A 3 6.909 -7.328 -3.972 1.00 0.00 O ATOM 0 H ASP A 3 8.157 -4.389 -4.613 1.00 0.00 H new ATOM 0 HA ASP A 3 9.299 -6.189 -2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.740 -6.168 -5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.067 -7.168 -4.973 1.00 0.00 H new ATOM 62 N PHE A 4 11.628 -5.361 -2.457 1.00 0.00 N ATOM 63 CA PHE A 4 13.119 -5.255 -2.464 1.00 0.00 C ATOM 64 C PHE A 4 13.888 -6.524 -3.002 1.00 0.00 C ATOM 65 O PHE A 4 15.119 -6.487 -3.049 1.00 0.00 O ATOM 66 CB PHE A 4 13.601 -4.859 -1.031 1.00 0.00 C ATOM 67 CG PHE A 4 13.264 -3.481 -0.404 1.00 0.00 C ATOM 68 CD1 PHE A 4 12.516 -2.491 -1.056 1.00 0.00 C ATOM 69 CD2 PHE A 4 13.757 -3.214 0.879 1.00 0.00 C ATOM 70 CE1 PHE A 4 12.287 -1.258 -0.451 1.00 0.00 C ATOM 71 CE2 PHE A 4 13.508 -1.987 1.491 1.00 0.00 C ATOM 72 CZ PHE A 4 12.772 -1.014 0.826 1.00 0.00 C ATOM 0 H PHE A 4 11.232 -5.585 -1.544 1.00 0.00 H new ATOM 0 HA PHE A 4 13.371 -4.480 -3.188 1.00 0.00 H new ATOM 0 HB2 PHE A 4 13.217 -5.617 -0.349 1.00 0.00 H new ATOM 0 HB3 PHE A 4 14.687 -4.949 -1.028 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.113 -2.687 -2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.335 -3.965 1.398 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.733 -0.493 -0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.887 -1.792 2.483 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.577 -0.065 1.304 1.00 0.00 H new ATOM 82 N ASN A 5 13.207 -7.611 -3.439 1.00 0.00 N ATOM 83 CA ASN A 5 13.838 -8.857 -3.966 1.00 0.00 C ATOM 84 C ASN A 5 14.871 -8.639 -5.120 1.00 0.00 C ATOM 85 O ASN A 5 14.511 -8.222 -6.225 1.00 0.00 O ATOM 86 CB ASN A 5 12.715 -9.834 -4.426 1.00 0.00 C ATOM 87 CG ASN A 5 12.064 -10.639 -3.300 1.00 0.00 C ATOM 88 OD1 ASN A 5 12.730 -11.367 -2.573 1.00 0.00 O ATOM 89 ND2 ASN A 5 10.771 -10.559 -3.111 1.00 0.00 N ATOM 0 H ASN A 5 12.188 -7.653 -3.437 1.00 0.00 H new ATOM 0 HA ASN A 5 14.421 -9.276 -3.146 1.00 0.00 H new ATOM 0 HB2 ASN A 5 11.942 -9.261 -4.938 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.133 -10.528 -5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.330 -11.099 -2.366 1.00 0.00 H new ATOM 0 HD22 ASN A 5 10.205 -9.957 -3.709 1.00 0.00 H new ATOM 96 N GLY A 6 16.154 -8.924 -4.845 1.00 0.00 N ATOM 97 CA GLY A 6 17.239 -8.669 -5.821 1.00 0.00 C ATOM 98 C GLY A 6 18.656 -8.584 -5.222 1.00 0.00 C ATOM 99 O GLY A 6 18.859 -8.567 -4.005 1.00 0.00 O ATOM 0 H GLY A 6 16.469 -9.328 -3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 6 17.226 -9.461 -6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 6 17.026 -7.735 -6.341 1.00 0.00 H new ATOM 103 N TYR A 7 19.642 -8.494 -6.126 1.00 0.00 N ATOM 104 CA TYR A 7 21.057 -8.202 -5.763 1.00 0.00 C ATOM 105 C TYR A 7 21.382 -6.722 -6.143 1.00 0.00 C ATOM 106 O TYR A 7 21.186 -6.296 -7.290 1.00 0.00 O ATOM 107 CB TYR A 7 21.971 -9.232 -6.491 1.00 0.00 C ATOM 108 CG TYR A 7 23.423 -9.320 -5.983 1.00 0.00 C ATOM 109 CD1 TYR A 7 24.350 -8.333 -6.332 1.00 0.00 C ATOM 110 CD2 TYR A 7 23.847 -10.403 -5.207 1.00 0.00 C ATOM 111 CE1 TYR A 7 25.669 -8.420 -5.908 1.00 0.00 C ATOM 112 CE2 TYR A 7 25.169 -10.485 -4.768 1.00 0.00 C ATOM 113 CZ TYR A 7 26.077 -9.484 -5.112 1.00 0.00 C ATOM 114 OH TYR A 7 27.366 -9.524 -4.645 1.00 0.00 O ATOM 0 H TYR A 7 19.494 -8.619 -7.127 1.00 0.00 H new ATOM 0 HA TYR A 7 21.231 -8.303 -4.692 1.00 0.00 H new ATOM 0 HB2 TYR A 7 21.515 -10.218 -6.404 1.00 0.00 H new ATOM 0 HB3 TYR A 7 21.992 -8.984 -7.552 1.00 0.00 H new ATOM 0 HD1 TYR A 7 24.037 -7.495 -6.937 1.00 0.00 H new ATOM 0 HD2 TYR A 7 23.146 -11.182 -4.945 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.379 -7.660 -6.197 1.00 0.00 H new ATOM 0 HE2 TYR A 7 25.488 -11.321 -4.164 1.00 0.00 H new ATOM 0 HH TYR A 7 27.785 -8.646 -4.765 1.00 0.00 H new ATOM 124 N TRP A 8 21.888 -5.955 -5.167 1.00 0.00 N ATOM 125 CA TRP A 8 22.051 -4.483 -5.281 1.00 0.00 C ATOM 126 C TRP A 8 23.549 -4.128 -5.002 1.00 0.00 C ATOM 127 O TRP A 8 24.090 -4.456 -3.940 1.00 0.00 O ATOM 128 CB TRP A 8 21.091 -3.775 -4.279 1.00 0.00 C ATOM 129 CG TRP A 8 19.588 -4.095 -4.376 1.00 0.00 C ATOM 130 CD1 TRP A 8 18.964 -5.213 -3.784 1.00 0.00 C ATOM 131 CD2 TRP A 8 18.563 -3.368 -4.955 1.00 0.00 C ATOM 132 NE1 TRP A 8 17.577 -5.215 -3.989 1.00 0.00 N ATOM 133 CE2 TRP A 8 17.347 -4.055 -4.698 1.00 0.00 C ATOM 134 CE3 TRP A 8 18.553 -2.131 -5.648 1.00 0.00 C ATOM 135 CZ2 TRP A 8 16.117 -3.504 -5.110 1.00 0.00 C ATOM 136 CZ3 TRP A 8 17.322 -1.609 -6.056 1.00 0.00 C ATOM 137 CH2 TRP A 8 16.124 -2.283 -5.790 1.00 0.00 C ATOM 0 H TRP A 8 22.199 -6.330 -4.271 1.00 0.00 H new ATOM 0 HA TRP A 8 21.793 -4.138 -6.282 1.00 0.00 H new ATOM 0 HB2 TRP A 8 21.421 -4.020 -3.269 1.00 0.00 H new ATOM 0 HB3 TRP A 8 21.213 -2.699 -4.402 1.00 0.00 H new ATOM 0 HD1 TRP A 8 19.493 -5.979 -3.236 1.00 0.00 H new ATOM 0 HE1 TRP A 8 16.897 -5.912 -3.685 1.00 0.00 H new ATOM 0 HE3 TRP A 8 19.473 -1.605 -5.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.188 -4.015 -4.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 17.295 -0.668 -6.586 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.189 -1.852 -6.116 1.00 0.00 H new ATOM 148 N LYS A 9 24.219 -3.461 -5.955 1.00 0.00 N ATOM 149 CA LYS A 9 25.660 -3.082 -5.838 1.00 0.00 C ATOM 150 C LYS A 9 25.841 -1.621 -5.330 1.00 0.00 C ATOM 151 O LYS A 9 25.127 -0.726 -5.791 1.00 0.00 O ATOM 152 CB LYS A 9 26.397 -3.322 -7.188 1.00 0.00 C ATOM 153 CG LYS A 9 26.040 -2.389 -8.376 1.00 0.00 C ATOM 154 CD LYS A 9 26.983 -2.553 -9.584 1.00 0.00 C ATOM 155 CE LYS A 9 26.588 -1.714 -10.815 1.00 0.00 C ATOM 156 NZ LYS A 9 26.787 -0.264 -10.596 1.00 0.00 N ATOM 0 H LYS A 9 23.790 -3.164 -6.831 1.00 0.00 H new ATOM 0 HA LYS A 9 26.115 -3.726 -5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.468 -3.239 -7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.205 -4.349 -7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.017 -2.591 -8.693 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.071 -1.353 -8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 9 27.994 -2.279 -9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.010 -3.605 -9.869 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.178 -2.033 -11.674 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.542 -1.902 -11.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 26.508 0.258 -11.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.204 0.049 -9.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.789 -0.078 -10.389 1.00 0.00 H new ATOM 169 N MET A 10 26.794 -1.347 -4.421 1.00 0.00 N ATOM 170 CA MET A 10 26.981 0.026 -3.869 1.00 0.00 C ATOM 171 C MET A 10 27.549 1.055 -4.905 1.00 0.00 C ATOM 172 O MET A 10 28.596 0.850 -5.522 1.00 0.00 O ATOM 173 CB MET A 10 27.832 -0.057 -2.582 1.00 0.00 C ATOM 174 CG MET A 10 27.990 1.273 -1.812 1.00 0.00 C ATOM 175 SD MET A 10 28.895 1.014 -0.278 1.00 0.00 S ATOM 176 CE MET A 10 27.595 0.344 0.768 1.00 0.00 C ATOM 0 H MET A 10 27.443 -2.041 -4.051 1.00 0.00 H new ATOM 0 HA MET A 10 25.996 0.423 -3.621 1.00 0.00 H new ATOM 0 HB2 MET A 10 27.383 -0.793 -1.915 1.00 0.00 H new ATOM 0 HB3 MET A 10 28.823 -0.427 -2.844 1.00 0.00 H new ATOM 0 HG2 MET A 10 28.516 1.998 -2.433 1.00 0.00 H new ATOM 0 HG3 MET A 10 27.008 1.692 -1.595 1.00 0.00 H new ATOM 0 HE1 MET A 10 27.958 0.263 1.793 1.00 0.00 H new ATOM 0 HE2 MET A 10 26.729 1.005 0.741 1.00 0.00 H new ATOM 0 HE3 MET A 10 27.309 -0.643 0.406 1.00 0.00 H new ATOM 186 N LEU A 11 26.848 2.189 -5.028 1.00 0.00 N ATOM 187 CA LEU A 11 27.350 3.396 -5.741 1.00 0.00 C ATOM 188 C LEU A 11 28.182 4.346 -4.813 1.00 0.00 C ATOM 189 O LEU A 11 29.287 4.745 -5.188 1.00 0.00 O ATOM 190 CB LEU A 11 26.142 4.141 -6.388 1.00 0.00 C ATOM 191 CG LEU A 11 25.319 3.403 -7.479 1.00 0.00 C ATOM 192 CD1 LEU A 11 24.150 4.291 -7.940 1.00 0.00 C ATOM 193 CD2 LEU A 11 26.157 3.000 -8.705 1.00 0.00 C ATOM 0 H LEU A 11 25.913 2.307 -4.639 1.00 0.00 H new ATOM 0 HA LEU A 11 28.040 3.072 -6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.457 4.421 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 11 26.518 5.067 -6.824 1.00 0.00 H new ATOM 0 HG LEU A 11 24.953 2.484 -7.021 1.00 0.00 H new ATOM 0 HD11 LEU A 11 23.576 3.769 -8.705 1.00 0.00 H new ATOM 0 HD12 LEU A 11 23.504 4.513 -7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 11 24.540 5.222 -8.352 1.00 0.00 H new ATOM 0 HD21 LEU A 11 25.521 2.489 -9.428 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.584 3.892 -9.163 1.00 0.00 H new ATOM 0 HD23 LEU A 11 26.961 2.333 -8.393 1.00 0.00 H new ATOM 205 N SER A 12 27.659 4.725 -3.627 1.00 0.00 N ATOM 206 CA SER A 12 28.395 5.558 -2.634 1.00 0.00 C ATOM 207 C SER A 12 28.055 5.159 -1.161 1.00 0.00 C ATOM 208 O SER A 12 26.907 4.827 -0.840 1.00 0.00 O ATOM 209 CB SER A 12 28.112 7.061 -2.895 1.00 0.00 C ATOM 210 OG SER A 12 26.725 7.384 -2.783 1.00 0.00 O ATOM 0 H SER A 12 26.719 4.467 -3.326 1.00 0.00 H new ATOM 0 HA SER A 12 29.462 5.373 -2.763 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.680 7.663 -2.186 1.00 0.00 H new ATOM 0 HB3 SER A 12 28.464 7.326 -3.892 1.00 0.00 H new ATOM 0 HG SER A 12 26.597 8.340 -2.954 1.00 0.00 H new ATOM 216 N ASN A 13 29.055 5.237 -0.258 1.00 0.00 N ATOM 217 CA ASN A 13 28.824 5.225 1.217 1.00 0.00 C ATOM 218 C ASN A 13 29.250 6.603 1.831 1.00 0.00 C ATOM 219 O ASN A 13 30.437 6.895 1.999 1.00 0.00 O ATOM 220 CB ASN A 13 29.441 3.957 1.876 1.00 0.00 C ATOM 221 CG ASN A 13 30.967 3.813 1.966 1.00 0.00 C ATOM 222 OD1 ASN A 13 31.585 4.218 2.945 1.00 0.00 O ATOM 223 ND2 ASN A 13 31.616 3.211 0.998 1.00 0.00 N ATOM 0 H ASN A 13 30.038 5.310 -0.519 1.00 0.00 H new ATOM 0 HA ASN A 13 27.761 5.131 1.440 1.00 0.00 H new ATOM 0 HB2 ASN A 13 29.047 3.893 2.890 1.00 0.00 H new ATOM 0 HB3 ASN A 13 29.064 3.091 1.332 1.00 0.00 H new ATOM 0 HD21 ASN A 13 32.626 3.083 1.063 1.00 0.00 H new ATOM 0 HD22 ASN A 13 31.111 2.871 0.180 1.00 0.00 H new ATOM 230 N GLU A 14 28.268 7.470 2.125 1.00 0.00 N ATOM 231 CA GLU A 14 28.503 8.881 2.534 1.00 0.00 C ATOM 232 C GLU A 14 28.341 9.014 4.078 1.00 0.00 C ATOM 233 O GLU A 14 27.282 8.700 4.630 1.00 0.00 O ATOM 234 CB GLU A 14 27.485 9.750 1.746 1.00 0.00 C ATOM 235 CG GLU A 14 27.677 11.281 1.884 1.00 0.00 C ATOM 236 CD GLU A 14 26.584 12.093 1.193 1.00 0.00 C ATOM 237 OE1 GLU A 14 26.704 12.573 0.070 1.00 0.00 O ATOM 238 OE2 GLU A 14 25.470 12.217 1.973 1.00 0.00 O ATOM 0 H GLU A 14 27.280 7.219 2.088 1.00 0.00 H new ATOM 0 HA GLU A 14 29.514 9.216 2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 14 27.547 9.486 0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 14 26.479 9.495 2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 14 27.700 11.543 2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 14 28.645 11.558 1.466 1.00 0.00 H new ATOM 246 N ASN A 15 29.394 9.480 4.778 1.00 0.00 N ATOM 247 CA ASN A 15 29.429 9.555 6.280 1.00 0.00 C ATOM 248 C ASN A 15 29.423 8.185 7.066 1.00 0.00 C ATOM 249 O ASN A 15 29.120 8.148 8.264 1.00 0.00 O ATOM 250 CB ASN A 15 28.390 10.618 6.764 1.00 0.00 C ATOM 251 CG ASN A 15 28.679 11.264 8.119 1.00 0.00 C ATOM 252 OD1 ASN A 15 29.778 11.735 8.386 1.00 0.00 O ATOM 253 ND2 ASN A 15 27.711 11.342 8.997 1.00 0.00 N ATOM 0 H ASN A 15 30.248 9.817 4.335 1.00 0.00 H new ATOM 0 HA ASN A 15 30.426 9.897 6.556 1.00 0.00 H new ATOM 0 HB2 ASN A 15 28.328 11.406 6.013 1.00 0.00 H new ATOM 0 HB3 ASN A 15 27.409 10.145 6.811 1.00 0.00 H new ATOM 0 HD21 ASN A 15 27.874 11.793 9.897 1.00 0.00 H new ATOM 0 HD22 ASN A 15 26.794 10.952 8.781 1.00 0.00 H new ATOM 260 N PHE A 16 29.840 7.068 6.429 1.00 0.00 N ATOM 261 CA PHE A 16 29.920 5.730 7.088 1.00 0.00 C ATOM 262 C PHE A 16 30.980 5.589 8.232 1.00 0.00 C ATOM 263 O PHE A 16 30.660 5.007 9.271 1.00 0.00 O ATOM 264 CB PHE A 16 30.038 4.651 5.972 1.00 0.00 C ATOM 265 CG PHE A 16 29.828 3.168 6.360 1.00 0.00 C ATOM 266 CD1 PHE A 16 28.844 2.766 7.276 1.00 0.00 C ATOM 267 CD2 PHE A 16 30.598 2.188 5.723 1.00 0.00 C ATOM 268 CE1 PHE A 16 28.672 1.419 7.584 1.00 0.00 C ATOM 269 CE2 PHE A 16 30.403 0.839 6.010 1.00 0.00 C ATOM 270 CZ PHE A 16 29.448 0.456 6.948 1.00 0.00 C ATOM 0 H PHE A 16 30.130 7.060 5.451 1.00 0.00 H new ATOM 0 HA PHE A 16 28.999 5.582 7.651 1.00 0.00 H new ATOM 0 HB2 PHE A 16 29.315 4.897 5.194 1.00 0.00 H new ATOM 0 HB3 PHE A 16 31.029 4.741 5.526 1.00 0.00 H new ATOM 0 HD1 PHE A 16 28.215 3.507 7.746 1.00 0.00 H new ATOM 0 HD2 PHE A 16 31.349 2.480 5.004 1.00 0.00 H new ATOM 0 HE1 PHE A 16 27.936 1.122 8.317 1.00 0.00 H new ATOM 0 HE2 PHE A 16 30.993 0.089 5.504 1.00 0.00 H new ATOM 0 HZ PHE A 16 29.310 -0.589 7.182 1.00 0.00 H new ATOM 280 N GLU A 17 32.194 6.160 8.090 1.00 0.00 N ATOM 281 CA GLU A 17 33.188 6.247 9.206 1.00 0.00 C ATOM 282 C GLU A 17 32.714 7.000 10.491 1.00 0.00 C ATOM 283 O GLU A 17 33.000 6.524 11.592 1.00 0.00 O ATOM 284 CB GLU A 17 34.541 6.842 8.725 1.00 0.00 C ATOM 285 CG GLU A 17 35.215 6.089 7.558 1.00 0.00 C ATOM 286 CD GLU A 17 36.715 6.328 7.402 1.00 0.00 C ATOM 287 OE1 GLU A 17 37.235 7.441 7.401 1.00 0.00 O ATOM 288 OE2 GLU A 17 37.402 5.158 7.255 1.00 0.00 O ATOM 0 H GLU A 17 32.520 6.572 7.216 1.00 0.00 H new ATOM 0 HA GLU A 17 33.313 5.207 9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 17 34.377 7.876 8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 17 35.231 6.863 9.569 1.00 0.00 H new ATOM 0 HG2 GLU A 17 35.047 5.020 7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 17 34.720 6.375 6.630 1.00 0.00 H new ATOM 296 N GLU A 18 31.995 8.134 10.367 1.00 0.00 N ATOM 297 CA GLU A 18 31.337 8.806 11.524 1.00 0.00 C ATOM 298 C GLU A 18 30.175 7.983 12.188 1.00 0.00 C ATOM 299 O GLU A 18 30.114 7.913 13.417 1.00 0.00 O ATOM 300 CB GLU A 18 30.892 10.218 11.058 1.00 0.00 C ATOM 301 CG GLU A 18 30.705 11.243 12.202 1.00 0.00 C ATOM 302 CD GLU A 18 30.140 12.584 11.735 1.00 0.00 C ATOM 303 OE1 GLU A 18 28.968 12.757 11.409 1.00 0.00 O ATOM 304 OE2 GLU A 18 31.079 13.569 11.718 1.00 0.00 O ATOM 0 H GLU A 18 31.850 8.611 9.477 1.00 0.00 H new ATOM 0 HA GLU A 18 32.062 8.886 12.334 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.632 10.605 10.358 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.953 10.127 10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 18 30.039 10.819 12.953 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.666 11.412 12.688 1.00 0.00 H new ATOM 312 N TYR A 19 29.279 7.341 11.407 1.00 0.00 N ATOM 313 CA TYR A 19 28.317 6.317 11.926 1.00 0.00 C ATOM 314 C TYR A 19 28.974 5.098 12.660 1.00 0.00 C ATOM 315 O TYR A 19 28.532 4.734 13.749 1.00 0.00 O ATOM 316 CB TYR A 19 27.398 5.907 10.740 1.00 0.00 C ATOM 317 CG TYR A 19 26.433 4.731 10.987 1.00 0.00 C ATOM 318 CD1 TYR A 19 25.262 4.903 11.730 1.00 0.00 C ATOM 319 CD2 TYR A 19 26.782 3.449 10.541 1.00 0.00 C ATOM 320 CE1 TYR A 19 24.455 3.804 12.024 1.00 0.00 C ATOM 321 CE2 TYR A 19 25.968 2.358 10.829 1.00 0.00 C ATOM 322 CZ TYR A 19 24.806 2.537 11.574 1.00 0.00 C ATOM 323 OH TYR A 19 23.997 1.471 11.859 1.00 0.00 O ATOM 0 H TYR A 19 29.194 7.509 10.405 1.00 0.00 H new ATOM 0 HA TYR A 19 27.729 6.764 12.727 1.00 0.00 H new ATOM 0 HB2 TYR A 19 26.808 6.776 10.450 1.00 0.00 H new ATOM 0 HB3 TYR A 19 28.032 5.654 9.890 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.982 5.887 12.077 1.00 0.00 H new ATOM 0 HD2 TYR A 19 27.688 3.307 9.970 1.00 0.00 H new ATOM 0 HE1 TYR A 19 23.554 3.938 12.604 1.00 0.00 H new ATOM 0 HE2 TYR A 19 26.237 1.374 10.475 1.00 0.00 H new ATOM 0 HH TYR A 19 24.381 0.656 11.473 1.00 0.00 H new ATOM 333 N LEU A 20 30.018 4.479 12.086 1.00 0.00 N ATOM 334 CA LEU A 20 30.842 3.462 12.794 1.00 0.00 C ATOM 335 C LEU A 20 31.575 3.993 14.082 1.00 0.00 C ATOM 336 O LEU A 20 31.511 3.330 15.119 1.00 0.00 O ATOM 337 CB LEU A 20 31.800 2.819 11.757 1.00 0.00 C ATOM 338 CG LEU A 20 31.175 1.980 10.607 1.00 0.00 C ATOM 339 CD1 LEU A 20 32.231 1.654 9.538 1.00 0.00 C ATOM 340 CD2 LEU A 20 30.536 0.670 11.096 1.00 0.00 C ATOM 0 H LEU A 20 30.320 4.660 11.129 1.00 0.00 H new ATOM 0 HA LEU A 20 30.177 2.701 13.203 1.00 0.00 H new ATOM 0 HB2 LEU A 20 32.388 3.618 11.306 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.496 2.178 12.298 1.00 0.00 H new ATOM 0 HG LEU A 20 30.384 2.597 10.181 1.00 0.00 H new ATOM 0 HD11 LEU A 20 31.774 1.066 8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.627 2.581 9.123 1.00 0.00 H new ATOM 0 HD13 LEU A 20 33.042 1.083 9.990 1.00 0.00 H new ATOM 0 HD21 LEU A 20 30.118 0.130 10.247 1.00 0.00 H new ATOM 0 HD22 LEU A 20 31.294 0.054 11.580 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.743 0.896 11.809 1.00 0.00 H new ATOM 352 N ARG A 21 32.179 5.202 14.072 1.00 0.00 N ATOM 353 CA ARG A 21 32.587 5.924 15.321 1.00 0.00 C ATOM 354 C ARG A 21 31.449 6.114 16.394 1.00 0.00 C ATOM 355 O ARG A 21 31.654 5.796 17.567 1.00 0.00 O ATOM 356 CB ARG A 21 33.191 7.292 14.907 1.00 0.00 C ATOM 357 CG ARG A 21 34.021 8.014 16.000 1.00 0.00 C ATOM 358 CD ARG A 21 34.363 9.474 15.645 1.00 0.00 C ATOM 359 NE ARG A 21 33.158 10.339 15.768 1.00 0.00 N ATOM 360 CZ ARG A 21 33.049 11.579 15.300 1.00 0.00 C ATOM 361 NH1 ARG A 21 34.000 12.214 14.650 1.00 0.00 N ATOM 362 NH2 ARG A 21 31.920 12.202 15.496 1.00 0.00 N ATOM 0 H ARG A 21 32.400 5.709 13.215 1.00 0.00 H new ATOM 0 HA ARG A 21 33.319 5.294 15.827 1.00 0.00 H new ATOM 0 HB2 ARG A 21 33.826 7.140 14.034 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.378 7.950 14.599 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.466 7.997 16.938 1.00 0.00 H new ATOM 0 HG3 ARG A 21 34.946 7.462 16.167 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.149 9.840 16.306 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.752 9.525 14.628 1.00 0.00 H new ATOM 0 HE ARG A 21 32.349 9.948 16.251 1.00 0.00 H new ATOM 0 HH11 ARG A 21 34.894 11.754 14.476 1.00 0.00 H new ATOM 0 HH12 ARG A 21 33.844 13.166 14.320 1.00 0.00 H new ATOM 0 HH21 ARG A 21 31.160 11.737 15.993 1.00 0.00 H new ATOM 0 HH22 ARG A 21 31.797 13.154 15.152 1.00 0.00 H new ATOM 376 N ALA A 22 30.248 6.573 15.985 1.00 0.00 N ATOM 377 CA ALA A 22 29.017 6.535 16.820 1.00 0.00 C ATOM 378 C ALA A 22 28.508 5.142 17.328 1.00 0.00 C ATOM 379 O ALA A 22 27.822 5.097 18.354 1.00 0.00 O ATOM 380 CB ALA A 22 27.936 7.242 15.984 1.00 0.00 C ATOM 0 H ALA A 22 30.098 6.983 15.063 1.00 0.00 H new ATOM 0 HA ALA A 22 29.259 7.023 17.764 1.00 0.00 H new ATOM 0 HB1 ALA A 22 26.997 7.252 16.537 1.00 0.00 H new ATOM 0 HB2 ALA A 22 28.247 8.266 15.778 1.00 0.00 H new ATOM 0 HB3 ALA A 22 27.797 6.709 15.043 1.00 0.00 H new ATOM 386 N LEU A 23 28.867 4.024 16.670 1.00 0.00 N ATOM 387 CA LEU A 23 28.730 2.655 17.247 1.00 0.00 C ATOM 388 C LEU A 23 29.960 2.149 18.087 1.00 0.00 C ATOM 389 O LEU A 23 30.020 0.965 18.426 1.00 0.00 O ATOM 390 CB LEU A 23 28.443 1.701 16.051 1.00 0.00 C ATOM 391 CG LEU A 23 27.085 1.854 15.317 1.00 0.00 C ATOM 392 CD1 LEU A 23 27.072 0.949 14.077 1.00 0.00 C ATOM 393 CD2 LEU A 23 25.882 1.511 16.214 1.00 0.00 C ATOM 0 H LEU A 23 29.259 4.033 15.728 1.00 0.00 H new ATOM 0 HA LEU A 23 27.920 2.675 17.976 1.00 0.00 H new ATOM 0 HB2 LEU A 23 29.238 1.835 15.317 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.514 0.676 16.415 1.00 0.00 H new ATOM 0 HG LEU A 23 26.987 2.901 15.032 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.119 1.055 13.559 1.00 0.00 H new ATOM 0 HD12 LEU A 23 27.882 1.237 13.407 1.00 0.00 H new ATOM 0 HD13 LEU A 23 27.206 -0.089 14.383 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.959 1.636 15.648 1.00 0.00 H new ATOM 0 HD22 LEU A 23 25.963 0.478 16.552 1.00 0.00 H new ATOM 0 HD23 LEU A 23 25.871 2.176 17.078 1.00 0.00 H new ATOM 405 N ASP A 24 30.933 3.017 18.439 1.00 0.00 N ATOM 406 CA ASP A 24 32.193 2.635 19.150 1.00 0.00 C ATOM 407 C ASP A 24 33.126 1.624 18.381 1.00 0.00 C ATOM 408 O ASP A 24 33.733 0.733 18.982 1.00 0.00 O ATOM 409 CB ASP A 24 31.884 2.264 20.633 1.00 0.00 C ATOM 410 CG ASP A 24 31.400 3.429 21.503 1.00 0.00 C ATOM 411 OD1 ASP A 24 32.154 4.171 22.123 1.00 0.00 O ATOM 412 OD2 ASP A 24 30.043 3.561 21.501 1.00 0.00 O ATOM 0 H ASP A 24 30.874 4.016 18.240 1.00 0.00 H new ATOM 0 HA ASP A 24 32.829 3.520 19.167 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.126 1.481 20.646 1.00 0.00 H new ATOM 0 HB3 ASP A 24 32.784 1.844 21.082 1.00 0.00 H new ATOM 418 N VAL A 25 33.278 1.799 17.052 1.00 0.00 N ATOM 419 CA VAL A 25 34.080 0.877 16.187 1.00 0.00 C ATOM 420 C VAL A 25 35.539 1.432 16.022 1.00 0.00 C ATOM 421 O VAL A 25 35.769 2.637 15.868 1.00 0.00 O ATOM 422 CB VAL A 25 33.332 0.650 14.823 1.00 0.00 C ATOM 423 CG1 VAL A 25 34.089 -0.196 13.772 1.00 0.00 C ATOM 424 CG2 VAL A 25 31.936 -0.006 14.984 1.00 0.00 C ATOM 0 H VAL A 25 32.856 2.574 16.541 1.00 0.00 H new ATOM 0 HA VAL A 25 34.177 -0.102 16.656 1.00 0.00 H new ATOM 0 HB VAL A 25 33.251 1.675 14.460 1.00 0.00 H new ATOM 0 HG11 VAL A 25 33.481 -0.288 12.872 1.00 0.00 H new ATOM 0 HG12 VAL A 25 35.032 0.291 13.524 1.00 0.00 H new ATOM 0 HG13 VAL A 25 34.288 -1.188 14.178 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.478 -0.132 14.003 1.00 0.00 H new ATOM 0 HG22 VAL A 25 32.044 -0.980 15.462 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.303 0.632 15.600 1.00 0.00 H new ATOM 434 N ASN A 26 36.529 0.523 16.015 1.00 0.00 N ATOM 435 CA ASN A 26 37.968 0.874 15.831 1.00 0.00 C ATOM 436 C ASN A 26 38.349 1.493 14.437 1.00 0.00 C ATOM 437 O ASN A 26 37.708 1.216 13.419 1.00 0.00 O ATOM 438 CB ASN A 26 38.813 -0.385 16.191 1.00 0.00 C ATOM 439 CG ASN A 26 38.759 -1.575 15.214 1.00 0.00 C ATOM 440 OD1 ASN A 26 39.304 -1.531 14.117 1.00 0.00 O ATOM 441 ND2 ASN A 26 38.118 -2.664 15.562 1.00 0.00 N ATOM 0 H ASN A 26 36.366 -0.477 16.136 1.00 0.00 H new ATOM 0 HA ASN A 26 38.196 1.698 16.507 1.00 0.00 H new ATOM 0 HB2 ASN A 26 39.854 -0.076 16.289 1.00 0.00 H new ATOM 0 HB3 ASN A 26 38.492 -0.738 17.171 1.00 0.00 H new ATOM 0 HD21 ASN A 26 38.078 -3.458 14.923 1.00 0.00 H new ATOM 0 HD22 ASN A 26 37.659 -2.717 16.471 1.00 0.00 H new ATOM 448 N VAL A 27 39.438 2.286 14.393 1.00 0.00 N ATOM 449 CA VAL A 27 39.928 2.950 13.135 1.00 0.00 C ATOM 450 C VAL A 27 40.283 1.969 11.956 1.00 0.00 C ATOM 451 O VAL A 27 39.927 2.263 10.811 1.00 0.00 O ATOM 452 CB VAL A 27 41.048 4.002 13.466 1.00 0.00 C ATOM 453 CG1 VAL A 27 41.677 4.685 12.225 1.00 0.00 C ATOM 454 CG2 VAL A 27 40.540 5.156 14.367 1.00 0.00 C ATOM 0 H VAL A 27 40.009 2.493 15.213 1.00 0.00 H new ATOM 0 HA VAL A 27 39.080 3.497 12.723 1.00 0.00 H new ATOM 0 HB VAL A 27 41.797 3.393 13.973 1.00 0.00 H new ATOM 0 HG11 VAL A 27 42.439 5.395 12.547 1.00 0.00 H new ATOM 0 HG12 VAL A 27 42.132 3.929 11.585 1.00 0.00 H new ATOM 0 HG13 VAL A 27 40.902 5.212 11.668 1.00 0.00 H new ATOM 0 HG21 VAL A 27 41.356 5.851 14.562 1.00 0.00 H new ATOM 0 HG22 VAL A 27 39.729 5.681 13.863 1.00 0.00 H new ATOM 0 HG23 VAL A 27 40.177 4.748 15.310 1.00 0.00 H new ATOM 464 N ALA A 28 40.929 0.814 12.215 1.00 0.00 N ATOM 465 CA ALA A 28 41.133 -0.247 11.190 1.00 0.00 C ATOM 466 C ALA A 28 39.836 -0.802 10.507 1.00 0.00 C ATOM 467 O ALA A 28 39.773 -0.803 9.277 1.00 0.00 O ATOM 468 CB ALA A 28 41.994 -1.349 11.835 1.00 0.00 C ATOM 0 H ALA A 28 41.323 0.585 13.128 1.00 0.00 H new ATOM 0 HA ALA A 28 41.646 0.205 10.341 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.165 -2.147 11.112 1.00 0.00 H new ATOM 0 HB2 ALA A 28 42.951 -0.929 12.145 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.476 -1.753 12.705 1.00 0.00 H new ATOM 474 N LEU A 29 38.795 -1.208 11.263 1.00 0.00 N ATOM 475 CA LEU A 29 37.466 -1.585 10.685 1.00 0.00 C ATOM 476 C LEU A 29 36.610 -0.389 10.132 1.00 0.00 C ATOM 477 O LEU A 29 35.975 -0.552 9.090 1.00 0.00 O ATOM 478 CB LEU A 29 36.738 -2.503 11.717 1.00 0.00 C ATOM 479 CG LEU A 29 35.654 -3.510 11.231 1.00 0.00 C ATOM 480 CD1 LEU A 29 34.314 -2.871 10.834 1.00 0.00 C ATOM 481 CD2 LEU A 29 36.140 -4.438 10.104 1.00 0.00 C ATOM 0 H LEU A 29 38.839 -1.287 12.279 1.00 0.00 H new ATOM 0 HA LEU A 29 37.629 -2.147 9.766 1.00 0.00 H new ATOM 0 HB2 LEU A 29 37.504 -3.077 12.238 1.00 0.00 H new ATOM 0 HB3 LEU A 29 36.269 -1.853 12.456 1.00 0.00 H new ATOM 0 HG LEU A 29 35.471 -4.112 12.121 1.00 0.00 H new ATOM 0 HD11 LEU A 29 33.622 -3.648 10.509 1.00 0.00 H new ATOM 0 HD12 LEU A 29 33.893 -2.346 11.691 1.00 0.00 H new ATOM 0 HD13 LEU A 29 34.475 -2.165 10.019 1.00 0.00 H new ATOM 0 HD21 LEU A 29 35.334 -5.113 9.815 1.00 0.00 H new ATOM 0 HD22 LEU A 29 36.439 -3.840 9.243 1.00 0.00 H new ATOM 0 HD23 LEU A 29 36.992 -5.020 10.454 1.00 0.00 H new ATOM 493 N ARG A 30 36.641 0.826 10.727 1.00 0.00 N ATOM 494 CA ARG A 30 36.199 2.087 10.039 1.00 0.00 C ATOM 495 C ARG A 30 36.816 2.353 8.617 1.00 0.00 C ATOM 496 O ARG A 30 36.103 2.783 7.704 1.00 0.00 O ATOM 497 CB ARG A 30 36.453 3.308 10.967 1.00 0.00 C ATOM 498 CG ARG A 30 35.548 3.427 12.221 1.00 0.00 C ATOM 499 CD ARG A 30 35.921 4.552 13.207 1.00 0.00 C ATOM 500 NE ARG A 30 35.742 5.895 12.596 1.00 0.00 N ATOM 501 CZ ARG A 30 36.411 6.998 12.919 1.00 0.00 C ATOM 502 NH1 ARG A 30 37.356 7.057 13.828 1.00 0.00 N ATOM 503 NH2 ARG A 30 36.093 8.100 12.298 1.00 0.00 N ATOM 0 H ARG A 30 36.966 0.972 11.683 1.00 0.00 H new ATOM 0 HA ARG A 30 35.135 1.942 9.850 1.00 0.00 H new ATOM 0 HB2 ARG A 30 37.491 3.274 11.298 1.00 0.00 H new ATOM 0 HB3 ARG A 30 36.336 4.216 10.375 1.00 0.00 H new ATOM 0 HG2 ARG A 30 34.521 3.582 11.892 1.00 0.00 H new ATOM 0 HG3 ARG A 30 35.571 2.477 12.755 1.00 0.00 H new ATOM 0 HD2 ARG A 30 35.303 4.473 14.101 1.00 0.00 H new ATOM 0 HD3 ARG A 30 36.957 4.431 13.524 1.00 0.00 H new ATOM 0 HE ARG A 30 35.041 5.978 11.860 1.00 0.00 H new ATOM 0 HH11 ARG A 30 37.622 6.217 14.342 1.00 0.00 H new ATOM 0 HH12 ARG A 30 37.824 7.943 14.020 1.00 0.00 H new ATOM 0 HH21 ARG A 30 35.355 8.094 11.594 1.00 0.00 H new ATOM 0 HH22 ARG A 30 36.582 8.968 12.517 1.00 0.00 H new ATOM 517 N LYS A 31 38.122 2.104 8.416 1.00 0.00 N ATOM 518 CA LYS A 31 38.749 2.032 7.067 1.00 0.00 C ATOM 519 C LYS A 31 38.346 0.753 6.256 1.00 0.00 C ATOM 520 O LYS A 31 37.825 0.900 5.148 1.00 0.00 O ATOM 521 CB LYS A 31 40.291 2.187 7.221 1.00 0.00 C ATOM 522 CG LYS A 31 40.808 3.545 7.762 1.00 0.00 C ATOM 523 CD LYS A 31 40.713 4.709 6.753 1.00 0.00 C ATOM 524 CE LYS A 31 40.975 6.107 7.341 1.00 0.00 C ATOM 525 NZ LYS A 31 42.399 6.315 7.675 1.00 0.00 N ATOM 0 H LYS A 31 38.780 1.946 9.179 1.00 0.00 H new ATOM 0 HA LYS A 31 38.364 2.856 6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 31 40.647 1.399 7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 31 40.749 2.013 6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 31 40.240 3.807 8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 31 41.848 3.429 8.068 1.00 0.00 H new ATOM 0 HD2 LYS A 31 41.427 4.531 5.949 1.00 0.00 H new ATOM 0 HD3 LYS A 31 39.719 4.701 6.305 1.00 0.00 H new ATOM 0 HE2 LYS A 31 40.657 6.865 6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 31 40.370 6.241 8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 42.528 7.269 8.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 42.698 5.609 8.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 42.976 6.214 6.815 1.00 0.00 H new ATOM 538 N ILE A 32 38.510 -0.484 6.781 1.00 0.00 N ATOM 539 CA ILE A 32 38.148 -1.756 6.055 1.00 0.00 C ATOM 540 C ILE A 32 36.585 -2.026 6.088 1.00 0.00 C ATOM 541 O ILE A 32 36.082 -3.038 6.585 1.00 0.00 O ATOM 542 CB ILE A 32 39.024 -2.960 6.580 1.00 0.00 C ATOM 543 CG1 ILE A 32 40.567 -2.713 6.663 1.00 0.00 C ATOM 544 CG2 ILE A 32 38.819 -4.243 5.728 1.00 0.00 C ATOM 545 CD1 ILE A 32 41.286 -3.594 7.702 1.00 0.00 C ATOM 0 H ILE A 32 38.893 -0.644 7.713 1.00 0.00 H new ATOM 0 HA ILE A 32 38.389 -1.642 4.998 1.00 0.00 H new ATOM 0 HB ILE A 32 38.656 -3.077 7.599 1.00 0.00 H new ATOM 0 HG12 ILE A 32 41.007 -2.893 5.682 1.00 0.00 H new ATOM 0 HG13 ILE A 32 40.745 -1.665 6.905 1.00 0.00 H new ATOM 0 HG21 ILE A 32 39.440 -5.046 6.124 1.00 0.00 H new ATOM 0 HG22 ILE A 32 37.772 -4.542 5.767 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.101 -4.042 4.694 1.00 0.00 H new ATOM 0 HD11 ILE A 32 42.351 -3.364 7.699 1.00 0.00 H new ATOM 0 HD12 ILE A 32 40.875 -3.398 8.692 1.00 0.00 H new ATOM 0 HD13 ILE A 32 41.141 -4.645 7.451 1.00 0.00 H new ATOM 557 N ALA A 33 35.839 -1.072 5.516 1.00 0.00 N ATOM 558 CA ALA A 33 34.352 -0.995 5.500 1.00 0.00 C ATOM 559 C ALA A 33 33.866 0.266 4.717 1.00 0.00 C ATOM 560 O ALA A 33 32.997 0.152 3.852 1.00 0.00 O ATOM 561 CB ALA A 33 33.704 -1.053 6.905 1.00 0.00 C ATOM 0 H ALA A 33 36.267 -0.288 5.024 1.00 0.00 H new ATOM 0 HA ALA A 33 34.016 -1.892 4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 33 32.620 -0.991 6.809 1.00 0.00 H new ATOM 0 HB2 ALA A 33 33.972 -1.991 7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 33 34.063 -0.217 7.506 1.00 0.00 H new ATOM 567 N ASN A 34 34.438 1.460 4.977 1.00 0.00 N ATOM 568 CA ASN A 34 34.414 2.593 4.010 1.00 0.00 C ATOM 569 C ASN A 34 35.179 2.363 2.666 1.00 0.00 C ATOM 570 O ASN A 34 34.658 2.713 1.603 1.00 0.00 O ATOM 571 CB ASN A 34 34.930 3.834 4.792 1.00 0.00 C ATOM 572 CG ASN A 34 35.037 5.180 4.062 1.00 0.00 C ATOM 573 OD1 ASN A 34 36.103 5.775 3.979 1.00 0.00 O ATOM 574 ND2 ASN A 34 33.969 5.732 3.544 1.00 0.00 N ATOM 0 H ASN A 34 34.925 1.671 5.848 1.00 0.00 H new ATOM 0 HA ASN A 34 33.393 2.727 3.653 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.276 3.977 5.652 1.00 0.00 H new ATOM 0 HB3 ASN A 34 35.919 3.591 5.181 1.00 0.00 H new ATOM 0 HD21 ASN A 34 34.036 6.640 3.083 1.00 0.00 H new ATOM 0 HD22 ASN A 34 33.069 5.255 3.601 1.00 0.00 H new ATOM 581 N LEU A 35 36.403 1.819 2.728 1.00 0.00 N ATOM 582 CA LEU A 35 37.279 1.643 1.531 1.00 0.00 C ATOM 583 C LEU A 35 36.924 0.431 0.603 1.00 0.00 C ATOM 584 O LEU A 35 37.221 0.472 -0.593 1.00 0.00 O ATOM 585 CB LEU A 35 38.766 1.600 1.990 1.00 0.00 C ATOM 586 CG LEU A 35 39.313 2.780 2.847 1.00 0.00 C ATOM 587 CD1 LEU A 35 40.796 2.541 3.166 1.00 0.00 C ATOM 588 CD2 LEU A 35 39.113 4.165 2.207 1.00 0.00 C ATOM 0 H LEU A 35 36.823 1.487 3.596 1.00 0.00 H new ATOM 0 HA LEU A 35 37.099 2.508 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 35 38.911 0.682 2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 35 39.387 1.523 1.097 1.00 0.00 H new ATOM 0 HG LEU A 35 38.726 2.796 3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 35 41.177 3.368 3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 35 40.903 1.610 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 35 41.362 2.476 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 35 39.520 4.932 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 35 39.628 4.200 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 35 38.049 4.345 2.055 1.00 0.00 H new ATOM 600 N LEU A 36 36.269 -0.614 1.139 1.00 0.00 N ATOM 601 CA LEU A 36 35.546 -1.626 0.321 1.00 0.00 C ATOM 602 C LEU A 36 34.035 -1.245 0.247 1.00 0.00 C ATOM 603 O LEU A 36 33.431 -0.901 1.267 1.00 0.00 O ATOM 604 CB LEU A 36 35.855 -3.061 0.832 1.00 0.00 C ATOM 605 CG LEU A 36 35.321 -3.439 2.236 1.00 0.00 C ATOM 606 CD1 LEU A 36 33.924 -4.079 2.182 1.00 0.00 C ATOM 607 CD2 LEU A 36 36.279 -4.385 2.975 1.00 0.00 C ATOM 0 H LEU A 36 36.221 -0.788 2.143 1.00 0.00 H new ATOM 0 HA LEU A 36 35.899 -1.627 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 36 35.448 -3.771 0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 36 36.937 -3.194 0.834 1.00 0.00 H new ATOM 0 HG LEU A 36 35.250 -2.500 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 36 33.597 -4.325 3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 36 33.220 -3.378 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 36 33.963 -4.988 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 36 35.868 -4.626 3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 36 36.402 -5.301 2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 36 37.247 -3.900 3.097 1.00 0.00 H new ATOM 619 N LYS A 37 33.412 -1.301 -0.940 1.00 0.00 N ATOM 620 CA LYS A 37 31.969 -0.962 -1.102 1.00 0.00 C ATOM 621 C LYS A 37 31.092 -2.269 -1.134 1.00 0.00 C ATOM 622 O LYS A 37 31.102 -2.947 -2.167 1.00 0.00 O ATOM 623 CB LYS A 37 31.809 0.056 -2.264 1.00 0.00 C ATOM 624 CG LYS A 37 32.038 -0.435 -3.707 1.00 0.00 C ATOM 625 CD LYS A 37 31.983 0.719 -4.723 1.00 0.00 C ATOM 626 CE LYS A 37 32.149 0.190 -6.152 1.00 0.00 C ATOM 627 NZ LYS A 37 32.127 1.304 -7.119 1.00 0.00 N ATOM 0 H LYS A 37 33.874 -1.576 -1.807 1.00 0.00 H new ATOM 0 HA LYS A 37 31.566 -0.435 -0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 37 30.801 0.466 -2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 37 32.499 0.880 -2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 37 33.007 -0.930 -3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 37 31.283 -1.179 -3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 37 31.033 1.245 -4.633 1.00 0.00 H new ATOM 0 HD3 LYS A 37 32.769 1.441 -4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 37 33.089 -0.356 -6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 37 31.349 -0.514 -6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 32.241 0.930 -8.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 31.220 1.808 -7.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 32.905 1.961 -6.909 1.00 0.00 H new ATOM 640 N PRO A 38 30.362 -2.709 -0.057 1.00 0.00 N ATOM 641 CA PRO A 38 29.642 -4.017 -0.060 1.00 0.00 C ATOM 642 C PRO A 38 28.342 -4.076 -0.929 1.00 0.00 C ATOM 643 O PRO A 38 27.798 -3.060 -1.363 1.00 0.00 O ATOM 644 CB PRO A 38 29.398 -4.244 1.449 1.00 0.00 C ATOM 645 CG PRO A 38 29.309 -2.846 2.058 1.00 0.00 C ATOM 646 CD PRO A 38 30.338 -2.042 1.263 1.00 0.00 C ATOM 0 HA PRO A 38 30.220 -4.806 -0.543 1.00 0.00 H new ATOM 0 HB2 PRO A 38 28.480 -4.806 1.619 1.00 0.00 H new ATOM 0 HB3 PRO A 38 30.210 -4.817 1.897 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.308 -2.427 1.957 1.00 0.00 H new ATOM 0 HG3 PRO A 38 29.544 -2.857 3.122 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.048 -0.995 1.177 1.00 0.00 H new ATOM 0 HD3 PRO A 38 31.318 -2.063 1.740 1.00 0.00 H new ATOM 654 N ASP A 39 27.849 -5.298 -1.177 1.00 0.00 N ATOM 655 CA ASP A 39 26.622 -5.535 -1.993 1.00 0.00 C ATOM 656 C ASP A 39 25.461 -6.050 -1.089 1.00 0.00 C ATOM 657 O ASP A 39 25.659 -6.934 -0.253 1.00 0.00 O ATOM 658 CB ASP A 39 26.946 -6.549 -3.122 1.00 0.00 C ATOM 659 CG ASP A 39 27.956 -6.097 -4.187 1.00 0.00 C ATOM 660 OD1 ASP A 39 28.246 -4.923 -4.407 1.00 0.00 O ATOM 661 OD2 ASP A 39 28.480 -7.156 -4.875 1.00 0.00 O ATOM 0 H ASP A 39 28.278 -6.154 -0.825 1.00 0.00 H new ATOM 0 HA ASP A 39 26.297 -4.598 -2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.323 -7.462 -2.661 1.00 0.00 H new ATOM 0 HB3 ASP A 39 26.014 -6.807 -3.625 1.00 0.00 H new ATOM 667 N LYS A 40 24.236 -5.531 -1.267 1.00 0.00 N ATOM 668 CA LYS A 40 23.049 -6.019 -0.513 1.00 0.00 C ATOM 669 C LYS A 40 22.216 -6.980 -1.405 1.00 0.00 C ATOM 670 O LYS A 40 21.666 -6.575 -2.429 1.00 0.00 O ATOM 671 CB LYS A 40 22.213 -4.841 0.064 1.00 0.00 C ATOM 672 CG LYS A 40 22.691 -4.385 1.463 1.00 0.00 C ATOM 673 CD LYS A 40 21.783 -3.321 2.116 1.00 0.00 C ATOM 674 CE LYS A 40 22.091 -3.050 3.601 1.00 0.00 C ATOM 675 NZ LYS A 40 23.400 -2.394 3.800 1.00 0.00 N ATOM 0 H LYS A 40 24.032 -4.776 -1.922 1.00 0.00 H new ATOM 0 HA LYS A 40 23.386 -6.588 0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 40 22.263 -3.997 -0.624 1.00 0.00 H new ATOM 0 HB3 LYS A 40 21.167 -5.141 0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 40 22.746 -5.254 2.119 1.00 0.00 H new ATOM 0 HG3 LYS A 40 23.701 -3.985 1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 40 21.879 -2.388 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 40 20.745 -3.641 2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 40 21.306 -2.422 4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 40 22.074 -3.992 4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 23.558 -2.235 4.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 24.154 -3.003 3.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 23.411 -1.482 3.301 1.00 0.00 H new ATOM 688 N GLU A 41 22.107 -8.253 -0.999 1.00 0.00 N ATOM 689 CA GLU A 41 21.135 -9.208 -1.594 1.00 0.00 C ATOM 690 C GLU A 41 19.911 -9.348 -0.640 1.00 0.00 C ATOM 691 O GLU A 41 20.021 -9.925 0.447 1.00 0.00 O ATOM 692 CB GLU A 41 21.873 -10.531 -1.917 1.00 0.00 C ATOM 693 CG GLU A 41 21.018 -11.594 -2.651 1.00 0.00 C ATOM 694 CD GLU A 41 21.771 -12.894 -2.929 1.00 0.00 C ATOM 695 OE1 GLU A 41 22.380 -13.531 -2.074 1.00 0.00 O ATOM 696 OE2 GLU A 41 21.687 -13.274 -4.234 1.00 0.00 O ATOM 0 H GLU A 41 22.680 -8.656 -0.257 1.00 0.00 H new ATOM 0 HA GLU A 41 20.729 -8.853 -2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 41 22.746 -10.303 -2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 41 22.240 -10.962 -0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 41 20.135 -11.816 -2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.666 -11.178 -3.595 1.00 0.00 H new ATOM 704 N ILE A 42 18.748 -8.807 -1.044 1.00 0.00 N ATOM 705 CA ILE A 42 17.499 -8.903 -0.227 1.00 0.00 C ATOM 706 C ILE A 42 16.648 -10.114 -0.740 1.00 0.00 C ATOM 707 O ILE A 42 16.288 -10.185 -1.920 1.00 0.00 O ATOM 708 CB ILE A 42 16.688 -7.555 -0.137 1.00 0.00 C ATOM 709 CG1 ILE A 42 17.451 -6.388 0.564 1.00 0.00 C ATOM 710 CG2 ILE A 42 15.348 -7.741 0.631 1.00 0.00 C ATOM 711 CD1 ILE A 42 18.299 -5.519 -0.366 1.00 0.00 C ATOM 0 H ILE A 42 18.635 -8.300 -1.922 1.00 0.00 H new ATOM 0 HA ILE A 42 17.782 -9.089 0.809 1.00 0.00 H new ATOM 0 HB ILE A 42 16.520 -7.287 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 42 16.725 -5.751 1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.098 -6.808 1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 42 14.817 -6.790 0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 42 14.732 -8.478 0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.554 -8.086 1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.789 -4.737 0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 42 19.054 -6.136 -0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.659 -5.064 -1.122 1.00 0.00 H new ATOM 723 N VAL A 43 16.269 -11.010 0.190 1.00 0.00 N ATOM 724 CA VAL A 43 15.198 -12.027 -0.041 1.00 0.00 C ATOM 725 C VAL A 43 13.978 -11.610 0.850 1.00 0.00 C ATOM 726 O VAL A 43 14.008 -11.760 2.075 1.00 0.00 O ATOM 727 CB VAL A 43 15.734 -13.477 0.227 1.00 0.00 C ATOM 728 CG1 VAL A 43 14.640 -14.569 0.149 1.00 0.00 C ATOM 729 CG2 VAL A 43 16.859 -13.896 -0.751 1.00 0.00 C ATOM 0 H VAL A 43 16.686 -11.059 1.120 1.00 0.00 H new ATOM 0 HA VAL A 43 14.873 -12.053 -1.081 1.00 0.00 H new ATOM 0 HB VAL A 43 16.118 -13.415 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.085 -15.545 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 43 13.869 -14.366 0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 43 14.194 -14.567 -0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 43 17.188 -14.908 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.482 -13.866 -1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 43 17.700 -13.209 -0.654 1.00 0.00 H new ATOM 739 N GLN A 44 12.914 -11.085 0.219 1.00 0.00 N ATOM 740 CA GLN A 44 11.646 -10.692 0.894 1.00 0.00 C ATOM 741 C GLN A 44 10.552 -11.773 0.605 1.00 0.00 C ATOM 742 O GLN A 44 10.009 -11.843 -0.504 1.00 0.00 O ATOM 743 CB GLN A 44 11.296 -9.270 0.366 1.00 0.00 C ATOM 744 CG GLN A 44 9.965 -8.651 0.872 1.00 0.00 C ATOM 745 CD GLN A 44 9.628 -7.287 0.248 1.00 0.00 C ATOM 746 OE1 GLN A 44 10.487 -6.470 -0.069 1.00 0.00 O ATOM 747 NE2 GLN A 44 8.368 -6.973 0.062 1.00 0.00 N ATOM 0 H GLN A 44 12.901 -10.916 -0.787 1.00 0.00 H new ATOM 0 HA GLN A 44 11.727 -10.646 1.980 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.110 -8.596 0.635 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.262 -9.309 -0.723 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.151 -9.345 0.662 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.017 -8.540 1.955 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.635 -7.634 0.317 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.122 -6.067 -0.338 1.00 0.00 H new ATOM 756 N ASP A 45 10.231 -12.608 1.609 1.00 0.00 N ATOM 757 CA ASP A 45 9.272 -13.737 1.464 1.00 0.00 C ATOM 758 C ASP A 45 8.153 -13.634 2.553 1.00 0.00 C ATOM 759 O ASP A 45 8.271 -14.219 3.634 1.00 0.00 O ATOM 760 CB ASP A 45 10.116 -15.042 1.531 1.00 0.00 C ATOM 761 CG ASP A 45 9.335 -16.322 1.232 1.00 0.00 C ATOM 762 OD1 ASP A 45 8.663 -16.492 0.219 1.00 0.00 O ATOM 763 OD2 ASP A 45 9.466 -17.255 2.215 1.00 0.00 O ATOM 0 H ASP A 45 10.624 -12.526 2.546 1.00 0.00 H new ATOM 0 HA ASP A 45 8.737 -13.720 0.515 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.941 -14.962 0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.555 -15.124 2.525 1.00 0.00 H new ATOM 769 N GLY A 46 7.065 -12.889 2.264 1.00 0.00 N ATOM 770 CA GLY A 46 5.882 -12.788 3.174 1.00 0.00 C ATOM 771 C GLY A 46 6.141 -12.285 4.613 1.00 0.00 C ATOM 772 O GLY A 46 6.148 -13.088 5.544 1.00 0.00 O ATOM 0 H GLY A 46 6.972 -12.343 1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.154 -12.123 2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.419 -13.773 3.238 1.00 0.00 H new ATOM 776 N ASP A 47 6.431 -10.983 4.771 1.00 0.00 N ATOM 777 CA ASP A 47 6.988 -10.395 6.034 1.00 0.00 C ATOM 778 C ASP A 47 8.427 -10.834 6.495 1.00 0.00 C ATOM 779 O ASP A 47 9.148 -10.009 7.055 1.00 0.00 O ATOM 780 CB ASP A 47 5.938 -10.223 7.173 1.00 0.00 C ATOM 781 CG ASP A 47 5.626 -11.429 8.061 1.00 0.00 C ATOM 782 OD1 ASP A 47 4.586 -12.076 8.000 1.00 0.00 O ATOM 783 OD2 ASP A 47 6.627 -11.680 8.948 1.00 0.00 O ATOM 0 H ASP A 47 6.291 -10.293 4.033 1.00 0.00 H new ATOM 0 HA ASP A 47 7.223 -9.383 5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.278 -9.414 7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.004 -9.896 6.717 1.00 0.00 H new ATOM 789 N HIS A 48 8.868 -12.083 6.266 1.00 0.00 N ATOM 790 CA HIS A 48 10.268 -12.521 6.522 1.00 0.00 C ATOM 791 C HIS A 48 11.251 -11.951 5.449 1.00 0.00 C ATOM 792 O HIS A 48 11.172 -12.270 4.259 1.00 0.00 O ATOM 793 CB HIS A 48 10.313 -14.069 6.648 1.00 0.00 C ATOM 794 CG HIS A 48 11.658 -14.702 7.045 1.00 0.00 C ATOM 795 ND1 HIS A 48 12.025 -15.968 6.613 1.00 0.00 N ATOM 796 CD2 HIS A 48 12.677 -14.149 7.856 1.00 0.00 C ATOM 797 CE1 HIS A 48 13.259 -16.062 7.205 1.00 0.00 C ATOM 798 NE2 HIS A 48 13.733 -15.032 7.971 1.00 0.00 N ATOM 0 H HIS A 48 8.271 -12.824 5.898 1.00 0.00 H new ATOM 0 HA HIS A 48 10.612 -12.109 7.471 1.00 0.00 H new ATOM 0 HB2 HIS A 48 9.567 -14.370 7.384 1.00 0.00 H new ATOM 0 HB3 HIS A 48 10.008 -14.495 5.692 1.00 0.00 H new ATOM 0 HD2 HIS A 48 12.635 -13.174 8.320 1.00 0.00 H new ATOM 0 HE1 HIS A 48 13.857 -16.950 7.066 1.00 0.00 H new ATOM 0 HE2 HIS A 48 14.612 -14.942 8.480 1.00 0.00 H new ATOM 806 N MET A 49 12.165 -11.085 5.903 1.00 0.00 N ATOM 807 CA MET A 49 13.114 -10.362 5.031 1.00 0.00 C ATOM 808 C MET A 49 14.573 -10.656 5.488 1.00 0.00 C ATOM 809 O MET A 49 14.944 -10.438 6.649 1.00 0.00 O ATOM 810 CB MET A 49 12.737 -8.864 5.088 1.00 0.00 C ATOM 811 CG MET A 49 13.351 -8.015 3.961 1.00 0.00 C ATOM 812 SD MET A 49 12.954 -6.278 4.220 1.00 0.00 S ATOM 813 CE MET A 49 11.246 -6.196 3.656 1.00 0.00 C ATOM 0 H MET A 49 12.272 -10.861 6.892 1.00 0.00 H new ATOM 0 HA MET A 49 13.056 -10.690 3.993 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.652 -8.772 5.046 1.00 0.00 H new ATOM 0 HB3 MET A 49 13.055 -8.457 6.048 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.432 -8.151 3.939 1.00 0.00 H new ATOM 0 HG3 MET A 49 12.968 -8.345 2.995 1.00 0.00 H new ATOM 0 HE1 MET A 49 10.877 -5.176 3.762 1.00 0.00 H new ATOM 0 HE2 MET A 49 11.194 -6.494 2.609 1.00 0.00 H new ATOM 0 HE3 MET A 49 10.632 -6.868 4.256 1.00 0.00 H new ATOM 823 N ILE A 50 15.397 -11.155 4.554 1.00 0.00 N ATOM 824 CA ILE A 50 16.830 -11.467 4.819 1.00 0.00 C ATOM 825 C ILE A 50 17.672 -10.390 4.064 1.00 0.00 C ATOM 826 O ILE A 50 17.826 -10.461 2.840 1.00 0.00 O ATOM 827 CB ILE A 50 17.197 -12.950 4.443 1.00 0.00 C ATOM 828 CG1 ILE A 50 16.279 -14.035 5.093 1.00 0.00 C ATOM 829 CG2 ILE A 50 18.673 -13.264 4.809 1.00 0.00 C ATOM 830 CD1 ILE A 50 16.381 -15.436 4.463 1.00 0.00 C ATOM 0 H ILE A 50 15.103 -11.356 3.598 1.00 0.00 H new ATOM 0 HA ILE A 50 17.054 -11.415 5.885 1.00 0.00 H new ATOM 0 HB ILE A 50 17.040 -13.006 3.366 1.00 0.00 H new ATOM 0 HG12 ILE A 50 16.525 -14.111 6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.244 -13.699 5.030 1.00 0.00 H new ATOM 0 HG21 ILE A 50 18.903 -14.295 4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 50 19.334 -12.590 4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 50 18.819 -13.128 5.881 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.707 -16.118 4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.103 -15.383 3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 50 17.405 -15.801 4.550 1.00 0.00 H new ATOM 842 N ILE A 51 18.231 -9.411 4.800 1.00 0.00 N ATOM 843 CA ILE A 51 19.115 -8.356 4.219 1.00 0.00 C ATOM 844 C ILE A 51 20.587 -8.885 4.290 1.00 0.00 C ATOM 845 O ILE A 51 21.247 -8.806 5.334 1.00 0.00 O ATOM 846 CB ILE A 51 18.939 -6.964 4.935 1.00 0.00 C ATOM 847 CG1 ILE A 51 17.485 -6.466 5.185 1.00 0.00 C ATOM 848 CG2 ILE A 51 19.771 -5.841 4.265 1.00 0.00 C ATOM 849 CD1 ILE A 51 16.632 -6.126 3.958 1.00 0.00 C ATOM 0 H ILE A 51 18.091 -9.320 5.806 1.00 0.00 H new ATOM 0 HA ILE A 51 18.839 -8.169 3.181 1.00 0.00 H new ATOM 0 HB ILE A 51 19.329 -7.184 5.929 1.00 0.00 H new ATOM 0 HG12 ILE A 51 16.961 -7.232 5.757 1.00 0.00 H new ATOM 0 HG13 ILE A 51 17.537 -5.578 5.815 1.00 0.00 H new ATOM 0 HG21 ILE A 51 19.613 -4.904 4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 51 20.829 -6.103 4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.458 -5.726 3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 51 15.646 -5.794 4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.114 -5.331 3.389 1.00 0.00 H new ATOM 0 HD13 ILE A 51 16.529 -7.011 3.330 1.00 0.00 H new ATOM 861 N ARG A 52 21.104 -9.434 3.180 1.00 0.00 N ATOM 862 CA ARG A 52 22.466 -10.034 3.142 1.00 0.00 C ATOM 863 C ARG A 52 23.497 -8.939 2.737 1.00 0.00 C ATOM 864 O ARG A 52 23.613 -8.614 1.552 1.00 0.00 O ATOM 865 CB ARG A 52 22.491 -11.226 2.145 1.00 0.00 C ATOM 866 CG ARG A 52 21.502 -12.385 2.404 1.00 0.00 C ATOM 867 CD ARG A 52 21.530 -13.445 1.292 1.00 0.00 C ATOM 868 NE ARG A 52 20.627 -14.557 1.675 1.00 0.00 N ATOM 869 CZ ARG A 52 20.083 -15.433 0.835 1.00 0.00 C ATOM 870 NH1 ARG A 52 20.271 -15.433 -0.467 1.00 0.00 N ATOM 871 NH2 ARG A 52 19.312 -16.355 1.342 1.00 0.00 N ATOM 0 H ARG A 52 20.606 -9.480 2.291 1.00 0.00 H new ATOM 0 HA ARG A 52 22.732 -10.416 4.128 1.00 0.00 H new ATOM 0 HB2 ARG A 52 22.299 -10.835 1.146 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.500 -11.638 2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 52 21.742 -12.857 3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 52 20.493 -11.983 2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 52 21.212 -13.008 0.345 1.00 0.00 H new ATOM 0 HD3 ARG A 52 22.545 -13.815 1.147 1.00 0.00 H new ATOM 0 HE ARG A 52 20.404 -14.659 2.665 1.00 0.00 H new ATOM 0 HH11 ARG A 52 20.869 -14.727 -0.896 1.00 0.00 H new ATOM 0 HH12 ARG A 52 19.819 -16.139 -1.048 1.00 0.00 H new ATOM 0 HH21 ARG A 52 19.146 -16.385 2.348 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.875 -17.046 0.732 1.00 0.00 H new ATOM 885 N THR A 53 24.236 -8.366 3.705 1.00 0.00 N ATOM 886 CA THR A 53 25.279 -7.335 3.410 1.00 0.00 C ATOM 887 C THR A 53 26.631 -8.064 3.133 1.00 0.00 C ATOM 888 O THR A 53 27.280 -8.597 4.041 1.00 0.00 O ATOM 889 CB THR A 53 25.354 -6.281 4.551 1.00 0.00 C ATOM 890 OG1 THR A 53 24.060 -5.748 4.814 1.00 0.00 O ATOM 891 CG2 THR A 53 26.255 -5.076 4.230 1.00 0.00 C ATOM 0 H THR A 53 24.140 -8.590 4.696 1.00 0.00 H new ATOM 0 HA THR A 53 25.021 -6.767 2.516 1.00 0.00 H new ATOM 0 HB THR A 53 25.771 -6.820 5.402 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.119 -5.087 5.535 1.00 0.00 H new ATOM 0 HG21 THR A 53 26.255 -4.387 5.074 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.272 -5.421 4.044 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.877 -4.565 3.344 1.00 0.00 H new ATOM 899 N LEU A 54 26.998 -8.123 1.847 1.00 0.00 N ATOM 900 CA LEU A 54 28.032 -9.048 1.325 1.00 0.00 C ATOM 901 C LEU A 54 29.353 -8.263 1.075 1.00 0.00 C ATOM 902 O LEU A 54 29.408 -7.317 0.280 1.00 0.00 O ATOM 903 CB LEU A 54 27.488 -9.725 0.034 1.00 0.00 C ATOM 904 CG LEU A 54 26.236 -10.634 0.203 1.00 0.00 C ATOM 905 CD1 LEU A 54 25.575 -10.891 -1.159 1.00 0.00 C ATOM 906 CD2 LEU A 54 26.567 -11.969 0.893 1.00 0.00 C ATOM 0 H LEU A 54 26.587 -7.528 1.127 1.00 0.00 H new ATOM 0 HA LEU A 54 28.257 -9.833 2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.247 -8.943 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.288 -10.324 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 54 25.539 -10.101 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 54 24.701 -11.528 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.268 -9.942 -1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.286 -11.385 -1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 54 25.659 -12.565 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 54 27.300 -12.514 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 54 26.977 -11.775 1.884 1.00 0.00 H new ATOM 918 N SER A 55 30.403 -8.648 1.806 1.00 0.00 N ATOM 919 CA SER A 55 31.649 -7.857 1.951 1.00 0.00 C ATOM 920 C SER A 55 32.891 -8.737 1.635 1.00 0.00 C ATOM 921 O SER A 55 32.970 -9.900 2.051 1.00 0.00 O ATOM 922 CB SER A 55 31.654 -7.368 3.420 1.00 0.00 C ATOM 923 OG SER A 55 32.826 -6.617 3.728 1.00 0.00 O ATOM 0 H SER A 55 30.421 -9.527 2.324 1.00 0.00 H new ATOM 0 HA SER A 55 31.690 -7.017 1.257 1.00 0.00 H new ATOM 0 HB2 SER A 55 30.772 -6.754 3.601 1.00 0.00 H new ATOM 0 HB3 SER A 55 31.587 -8.227 4.088 1.00 0.00 H new ATOM 0 HG SER A 55 32.791 -6.325 4.663 1.00 0.00 H new ATOM 929 N THR A 56 33.923 -8.160 0.989 1.00 0.00 N ATOM 930 CA THR A 56 35.260 -8.832 0.850 1.00 0.00 C ATOM 931 C THR A 56 36.158 -8.784 2.151 1.00 0.00 C ATOM 932 O THR A 56 37.337 -8.422 2.135 1.00 0.00 O ATOM 933 CB THR A 56 35.924 -8.341 -0.477 1.00 0.00 C ATOM 934 OG1 THR A 56 37.068 -9.136 -0.779 1.00 0.00 O ATOM 935 CG2 THR A 56 36.383 -6.872 -0.518 1.00 0.00 C ATOM 0 H THR A 56 33.873 -7.239 0.554 1.00 0.00 H new ATOM 0 HA THR A 56 35.120 -9.909 0.760 1.00 0.00 H new ATOM 0 HB THR A 56 35.118 -8.439 -1.205 1.00 0.00 H new ATOM 0 HG1 THR A 56 37.475 -8.820 -1.613 1.00 0.00 H new ATOM 0 HG21 THR A 56 36.826 -6.656 -1.490 1.00 0.00 H new ATOM 0 HG22 THR A 56 35.526 -6.218 -0.357 1.00 0.00 H new ATOM 0 HG23 THR A 56 37.123 -6.700 0.264 1.00 0.00 H new ATOM 943 N PHE A 57 35.566 -9.189 3.290 1.00 0.00 N ATOM 944 CA PHE A 57 36.201 -9.208 4.635 1.00 0.00 C ATOM 945 C PHE A 57 35.285 -10.045 5.593 1.00 0.00 C ATOM 946 O PHE A 57 35.683 -11.134 6.013 1.00 0.00 O ATOM 947 CB PHE A 57 36.535 -7.770 5.152 1.00 0.00 C ATOM 948 CG PHE A 57 37.357 -7.727 6.450 1.00 0.00 C ATOM 949 CD1 PHE A 57 38.750 -7.860 6.408 1.00 0.00 C ATOM 950 CD2 PHE A 57 36.720 -7.562 7.684 1.00 0.00 C ATOM 951 CE1 PHE A 57 39.495 -7.812 7.584 1.00 0.00 C ATOM 952 CE2 PHE A 57 37.466 -7.529 8.859 1.00 0.00 C ATOM 953 CZ PHE A 57 38.853 -7.644 8.808 1.00 0.00 C ATOM 0 H PHE A 57 34.603 -9.524 3.308 1.00 0.00 H new ATOM 0 HA PHE A 57 37.175 -9.694 4.589 1.00 0.00 H new ATOM 0 HB2 PHE A 57 37.082 -7.237 4.374 1.00 0.00 H new ATOM 0 HB3 PHE A 57 35.601 -7.230 5.312 1.00 0.00 H new ATOM 0 HD1 PHE A 57 39.249 -8.000 5.460 1.00 0.00 H new ATOM 0 HD2 PHE A 57 35.646 -7.460 7.726 1.00 0.00 H new ATOM 0 HE1 PHE A 57 40.570 -7.905 7.546 1.00 0.00 H new ATOM 0 HE2 PHE A 57 36.969 -7.414 9.811 1.00 0.00 H new ATOM 0 HZ PHE A 57 39.431 -7.603 9.719 1.00 0.00 H new ATOM 963 N ARG A 58 34.076 -9.549 5.942 1.00 0.00 N ATOM 964 CA ARG A 58 33.135 -10.253 6.857 1.00 0.00 C ATOM 965 C ARG A 58 31.656 -9.872 6.514 1.00 0.00 C ATOM 966 O ARG A 58 31.285 -8.693 6.546 1.00 0.00 O ATOM 967 CB ARG A 58 33.490 -9.887 8.324 1.00 0.00 C ATOM 968 CG ARG A 58 32.869 -10.824 9.391 1.00 0.00 C ATOM 969 CD ARG A 58 32.907 -10.252 10.820 1.00 0.00 C ATOM 970 NE ARG A 58 34.288 -10.084 11.354 1.00 0.00 N ATOM 971 CZ ARG A 58 34.878 -8.921 11.634 1.00 0.00 C ATOM 972 NH1 ARG A 58 34.337 -7.738 11.435 1.00 0.00 N ATOM 973 NH2 ARG A 58 36.080 -8.960 12.141 1.00 0.00 N ATOM 0 H ARG A 58 33.722 -8.655 5.602 1.00 0.00 H new ATOM 0 HA ARG A 58 33.231 -11.331 6.731 1.00 0.00 H new ATOM 0 HB2 ARG A 58 34.574 -9.899 8.435 1.00 0.00 H new ATOM 0 HB3 ARG A 58 33.161 -8.866 8.520 1.00 0.00 H new ATOM 0 HG2 ARG A 58 31.834 -11.031 9.120 1.00 0.00 H new ATOM 0 HG3 ARG A 58 33.399 -11.776 9.377 1.00 0.00 H new ATOM 0 HD2 ARG A 58 32.402 -9.286 10.830 1.00 0.00 H new ATOM 0 HD3 ARG A 58 32.347 -10.912 11.483 1.00 0.00 H new ATOM 0 HE ARG A 58 34.829 -10.932 11.520 1.00 0.00 H new ATOM 0 HH11 ARG A 58 33.400 -7.666 11.039 1.00 0.00 H new ATOM 0 HH12 ARG A 58 34.855 -6.893 11.676 1.00 0.00 H new ATOM 0 HH21 ARG A 58 36.534 -9.858 12.309 1.00 0.00 H new ATOM 0 HH22 ARG A 58 36.566 -8.093 12.369 1.00 0.00 H new ATOM 987 N ASN A 59 30.805 -10.869 6.218 1.00 0.00 N ATOM 988 CA ASN A 59 29.377 -10.635 5.839 1.00 0.00 C ATOM 989 C ASN A 59 28.444 -10.380 7.072 1.00 0.00 C ATOM 990 O ASN A 59 28.549 -11.063 8.095 1.00 0.00 O ATOM 991 CB ASN A 59 28.859 -11.860 5.030 1.00 0.00 C ATOM 992 CG ASN A 59 29.531 -12.129 3.675 1.00 0.00 C ATOM 993 OD1 ASN A 59 30.019 -11.242 2.986 1.00 0.00 O ATOM 994 ND2 ASN A 59 29.563 -13.362 3.233 1.00 0.00 N ATOM 0 H ASN A 59 31.071 -11.854 6.231 1.00 0.00 H new ATOM 0 HA ASN A 59 29.346 -9.728 5.235 1.00 0.00 H new ATOM 0 HB2 ASN A 59 28.975 -12.750 5.649 1.00 0.00 H new ATOM 0 HB3 ASN A 59 27.791 -11.727 4.859 1.00 0.00 H new ATOM 0 HD21 ASN A 59 29.989 -13.569 2.330 1.00 0.00 H new ATOM 0 HD22 ASN A 59 29.162 -14.115 3.792 1.00 0.00 H new ATOM 1001 N TYR A 60 27.501 -9.424 6.951 1.00 0.00 N ATOM 1002 CA TYR A 60 26.508 -9.121 8.026 1.00 0.00 C ATOM 1003 C TYR A 60 25.071 -9.491 7.528 1.00 0.00 C ATOM 1004 O TYR A 60 24.505 -8.821 6.657 1.00 0.00 O ATOM 1005 CB TYR A 60 26.688 -7.634 8.448 1.00 0.00 C ATOM 1006 CG TYR A 60 26.043 -7.240 9.791 1.00 0.00 C ATOM 1007 CD1 TYR A 60 26.726 -7.477 10.989 1.00 0.00 C ATOM 1008 CD2 TYR A 60 24.803 -6.592 9.828 1.00 0.00 C ATOM 1009 CE1 TYR A 60 26.191 -7.048 12.202 1.00 0.00 C ATOM 1010 CE2 TYR A 60 24.266 -6.168 11.044 1.00 0.00 C ATOM 1011 CZ TYR A 60 24.964 -6.392 12.230 1.00 0.00 C ATOM 1012 OH TYR A 60 24.444 -6.003 13.439 1.00 0.00 O ATOM 0 H TYR A 60 27.398 -8.841 6.120 1.00 0.00 H new ATOM 0 HA TYR A 60 26.669 -9.723 8.920 1.00 0.00 H new ATOM 0 HB2 TYR A 60 27.755 -7.416 8.500 1.00 0.00 H new ATOM 0 HB3 TYR A 60 26.271 -7.000 7.665 1.00 0.00 H new ATOM 0 HD1 TYR A 60 27.673 -7.995 10.973 1.00 0.00 H new ATOM 0 HD2 TYR A 60 24.259 -6.419 8.911 1.00 0.00 H new ATOM 0 HE1 TYR A 60 26.729 -7.225 13.122 1.00 0.00 H new ATOM 0 HE2 TYR A 60 23.310 -5.666 11.067 1.00 0.00 H new ATOM 0 HH TYR A 60 23.583 -5.557 13.297 1.00 0.00 H new ATOM 1022 N ILE A 61 24.497 -10.586 8.060 1.00 0.00 N ATOM 1023 CA ILE A 61 23.211 -11.161 7.554 1.00 0.00 C ATOM 1024 C ILE A 61 22.049 -10.709 8.500 1.00 0.00 C ATOM 1025 O ILE A 61 21.907 -11.215 9.617 1.00 0.00 O ATOM 1026 CB ILE A 61 23.322 -12.723 7.386 1.00 0.00 C ATOM 1027 CG1 ILE A 61 24.526 -13.238 6.533 1.00 0.00 C ATOM 1028 CG2 ILE A 61 22.012 -13.370 6.861 1.00 0.00 C ATOM 1029 CD1 ILE A 61 24.633 -12.724 5.084 1.00 0.00 C ATOM 0 H ILE A 61 24.897 -11.101 8.844 1.00 0.00 H new ATOM 0 HA ILE A 61 22.988 -10.781 6.557 1.00 0.00 H new ATOM 0 HB ILE A 61 23.511 -13.046 8.410 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.446 -12.974 7.054 1.00 0.00 H new ATOM 0 HG13 ILE A 61 24.478 -14.327 6.503 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.151 -14.447 6.766 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.201 -13.169 7.561 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.763 -12.949 5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 61 25.511 -13.159 4.608 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.740 -13.011 4.529 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.724 -11.638 5.089 1.00 0.00 H new ATOM 1041 N MET A 62 21.204 -9.770 8.040 1.00 0.00 N ATOM 1042 CA MET A 62 20.097 -9.193 8.851 1.00 0.00 C ATOM 1043 C MET A 62 18.756 -9.935 8.540 1.00 0.00 C ATOM 1044 O MET A 62 17.983 -9.536 7.663 1.00 0.00 O ATOM 1045 CB MET A 62 20.075 -7.650 8.601 1.00 0.00 C ATOM 1046 CG MET A 62 20.393 -6.788 9.834 1.00 0.00 C ATOM 1047 SD MET A 62 19.016 -6.863 10.997 1.00 0.00 S ATOM 1048 CE MET A 62 18.425 -5.165 10.908 1.00 0.00 C ATOM 0 H MET A 62 21.262 -9.384 7.097 1.00 0.00 H new ATOM 0 HA MET A 62 20.248 -9.341 9.920 1.00 0.00 H new ATOM 0 HB2 MET A 62 20.793 -7.414 7.816 1.00 0.00 H new ATOM 0 HB3 MET A 62 19.090 -7.372 8.226 1.00 0.00 H new ATOM 0 HG2 MET A 62 21.306 -7.143 10.312 1.00 0.00 H new ATOM 0 HG3 MET A 62 20.572 -5.756 9.532 1.00 0.00 H new ATOM 0 HE1 MET A 62 17.454 -5.091 11.398 1.00 0.00 H new ATOM 0 HE2 MET A 62 19.135 -4.506 11.408 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.327 -4.868 9.864 1.00 0.00 H new ATOM 1058 N ASP A 63 18.502 -11.040 9.262 1.00 0.00 N ATOM 1059 CA ASP A 63 17.332 -11.925 9.038 1.00 0.00 C ATOM 1060 C ASP A 63 16.179 -11.651 10.055 1.00 0.00 C ATOM 1061 O ASP A 63 16.360 -11.813 11.266 1.00 0.00 O ATOM 1062 CB ASP A 63 17.859 -13.386 9.031 1.00 0.00 C ATOM 1063 CG ASP A 63 18.485 -13.938 10.319 1.00 0.00 C ATOM 1064 OD1 ASP A 63 19.610 -13.642 10.708 1.00 0.00 O ATOM 1065 OD2 ASP A 63 17.652 -14.787 10.982 1.00 0.00 O ATOM 0 H ASP A 63 19.104 -11.352 10.024 1.00 0.00 H new ATOM 0 HA ASP A 63 16.862 -11.721 8.076 1.00 0.00 H new ATOM 0 HB2 ASP A 63 17.029 -14.038 8.758 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.602 -13.468 8.238 1.00 0.00 H new ATOM 1071 N PHE A 64 15.000 -11.211 9.574 1.00 0.00 N ATOM 1072 CA PHE A 64 13.926 -10.680 10.469 1.00 0.00 C ATOM 1073 C PHE A 64 12.492 -10.784 9.872 1.00 0.00 C ATOM 1074 O PHE A 64 12.298 -10.712 8.656 1.00 0.00 O ATOM 1075 CB PHE A 64 14.250 -9.216 10.896 1.00 0.00 C ATOM 1076 CG PHE A 64 14.433 -8.150 9.796 1.00 0.00 C ATOM 1077 CD1 PHE A 64 13.330 -7.625 9.114 1.00 0.00 C ATOM 1078 CD2 PHE A 64 15.719 -7.729 9.447 1.00 0.00 C ATOM 1079 CE1 PHE A 64 13.518 -6.726 8.069 1.00 0.00 C ATOM 1080 CE2 PHE A 64 15.901 -6.814 8.416 1.00 0.00 C ATOM 1081 CZ PHE A 64 14.802 -6.319 7.719 1.00 0.00 C ATOM 0 H PHE A 64 14.758 -11.208 8.583 1.00 0.00 H new ATOM 0 HA PHE A 64 13.920 -11.323 11.349 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.450 -8.878 11.554 1.00 0.00 H new ATOM 0 HB3 PHE A 64 15.163 -9.239 11.490 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.330 -7.918 9.399 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.575 -8.116 9.980 1.00 0.00 H new ATOM 0 HE1 PHE A 64 12.665 -6.343 7.528 1.00 0.00 H new ATOM 0 HE2 PHE A 64 16.897 -6.487 8.155 1.00 0.00 H new ATOM 0 HZ PHE A 64 14.946 -5.620 6.908 1.00 0.00 H new ATOM 1091 N GLN A 65 11.471 -10.859 10.743 1.00 0.00 N ATOM 1092 CA GLN A 65 10.052 -10.669 10.334 1.00 0.00 C ATOM 1093 C GLN A 65 9.587 -9.197 10.557 1.00 0.00 C ATOM 1094 O GLN A 65 9.637 -8.670 11.672 1.00 0.00 O ATOM 1095 CB GLN A 65 9.162 -11.728 11.045 1.00 0.00 C ATOM 1096 CG GLN A 65 9.151 -13.083 10.281 1.00 0.00 C ATOM 1097 CD GLN A 65 8.032 -14.054 10.648 1.00 0.00 C ATOM 1098 OE1 GLN A 65 6.853 -13.709 10.667 1.00 0.00 O ATOM 1099 NE2 GLN A 65 8.343 -15.310 10.847 1.00 0.00 N ATOM 0 H GLN A 65 11.593 -11.050 11.738 1.00 0.00 H new ATOM 0 HA GLN A 65 9.951 -10.835 9.261 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.527 -11.886 12.060 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.143 -11.350 11.128 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.087 -12.874 9.213 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.106 -13.580 10.451 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.320 -15.602 10.832 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.608 -15.997 11.017 1.00 0.00 H new ATOM 1108 N VAL A 66 9.114 -8.543 9.477 1.00 0.00 N ATOM 1109 CA VAL A 66 8.618 -7.134 9.500 1.00 0.00 C ATOM 1110 C VAL A 66 7.321 -7.020 10.382 1.00 0.00 C ATOM 1111 O VAL A 66 6.332 -7.723 10.152 1.00 0.00 O ATOM 1112 CB VAL A 66 8.394 -6.612 8.035 1.00 0.00 C ATOM 1113 CG1 VAL A 66 8.024 -5.111 8.000 1.00 0.00 C ATOM 1114 CG2 VAL A 66 9.595 -6.767 7.067 1.00 0.00 C ATOM 0 H VAL A 66 9.061 -8.973 8.553 1.00 0.00 H new ATOM 0 HA VAL A 66 9.372 -6.495 9.959 1.00 0.00 H new ATOM 0 HB VAL A 66 7.583 -7.256 7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.879 -4.796 6.967 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.103 -4.950 8.561 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.828 -4.527 8.448 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.325 -6.373 6.087 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.450 -6.215 7.457 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.855 -7.822 6.976 1.00 0.00 H new ATOM 1124 N GLY A 67 7.369 -6.168 11.417 1.00 0.00 N ATOM 1125 CA GLY A 67 6.397 -6.205 12.546 1.00 0.00 C ATOM 1126 C GLY A 67 6.907 -6.779 13.895 1.00 0.00 C ATOM 1127 O GLY A 67 6.446 -6.328 14.945 1.00 0.00 O ATOM 0 H GLY A 67 8.073 -5.435 11.505 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.043 -5.189 12.722 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.535 -6.793 12.232 1.00 0.00 H new ATOM 1131 N LYS A 68 7.798 -7.786 13.886 1.00 0.00 N ATOM 1132 CA LYS A 68 8.213 -8.530 15.109 1.00 0.00 C ATOM 1133 C LYS A 68 9.532 -7.947 15.713 1.00 0.00 C ATOM 1134 O LYS A 68 10.566 -7.895 15.037 1.00 0.00 O ATOM 1135 CB LYS A 68 8.359 -10.044 14.767 1.00 0.00 C ATOM 1136 CG LYS A 68 7.060 -10.739 14.284 1.00 0.00 C ATOM 1137 CD LYS A 68 7.088 -12.282 14.329 1.00 0.00 C ATOM 1138 CE LYS A 68 5.708 -12.943 14.127 1.00 0.00 C ATOM 1139 NZ LYS A 68 5.151 -12.710 12.777 1.00 0.00 N ATOM 0 H LYS A 68 8.256 -8.114 13.036 1.00 0.00 H new ATOM 0 HA LYS A 68 7.444 -8.414 15.872 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.120 -10.154 13.994 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.725 -10.566 15.651 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.229 -10.388 14.896 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.857 -10.424 13.260 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.769 -12.645 13.559 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.494 -12.600 15.289 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.796 -14.016 14.298 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.013 -12.557 14.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.232 -13.190 12.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.023 -11.689 12.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.805 -13.087 12.062 1.00 0.00 H new ATOM 1152 N GLU A 69 9.506 -7.526 16.996 1.00 0.00 N ATOM 1153 CA GLU A 69 10.697 -6.930 17.666 1.00 0.00 C ATOM 1154 C GLU A 69 11.730 -8.014 18.135 1.00 0.00 C ATOM 1155 O GLU A 69 11.427 -8.855 18.987 1.00 0.00 O ATOM 1156 CB GLU A 69 10.228 -5.980 18.802 1.00 0.00 C ATOM 1157 CG GLU A 69 11.365 -5.079 19.352 1.00 0.00 C ATOM 1158 CD GLU A 69 10.926 -3.951 20.285 1.00 0.00 C ATOM 1159 OE1 GLU A 69 10.714 -4.098 21.484 1.00 0.00 O ATOM 1160 OE2 GLU A 69 10.826 -2.754 19.634 1.00 0.00 O ATOM 0 H GLU A 69 8.680 -7.585 17.592 1.00 0.00 H new ATOM 0 HA GLU A 69 11.249 -6.332 16.941 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.421 -5.349 18.430 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.817 -6.575 19.618 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.077 -5.709 19.884 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.897 -4.641 18.507 1.00 0.00 H new ATOM 1168 N PHE A 70 12.946 -7.981 17.563 1.00 0.00 N ATOM 1169 CA PHE A 70 13.974 -9.054 17.732 1.00 0.00 C ATOM 1170 C PHE A 70 15.336 -8.495 18.269 1.00 0.00 C ATOM 1171 O PHE A 70 15.748 -7.393 17.903 1.00 0.00 O ATOM 1172 CB PHE A 70 14.115 -9.813 16.370 1.00 0.00 C ATOM 1173 CG PHE A 70 14.887 -9.096 15.237 1.00 0.00 C ATOM 1174 CD1 PHE A 70 14.259 -8.120 14.457 1.00 0.00 C ATOM 1175 CD2 PHE A 70 16.255 -9.334 15.064 1.00 0.00 C ATOM 1176 CE1 PHE A 70 14.999 -7.358 13.556 1.00 0.00 C ATOM 1177 CE2 PHE A 70 16.991 -8.584 14.151 1.00 0.00 C ATOM 1178 CZ PHE A 70 16.363 -7.590 13.405 1.00 0.00 C ATOM 0 H PHE A 70 13.256 -7.213 16.967 1.00 0.00 H new ATOM 0 HA PHE A 70 13.649 -9.759 18.498 1.00 0.00 H new ATOM 0 HB2 PHE A 70 14.608 -10.766 16.564 1.00 0.00 H new ATOM 0 HB3 PHE A 70 13.113 -10.040 16.005 1.00 0.00 H new ATOM 0 HD1 PHE A 70 13.196 -7.956 14.554 1.00 0.00 H new ATOM 0 HD2 PHE A 70 16.743 -10.104 15.643 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.515 -6.587 12.975 1.00 0.00 H new ATOM 0 HE2 PHE A 70 18.046 -8.773 14.022 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.936 -6.997 12.707 1.00 0.00 H new ATOM 1188 N GLU A 71 16.100 -9.267 19.063 1.00 0.00 N ATOM 1189 CA GLU A 71 17.484 -8.865 19.465 1.00 0.00 C ATOM 1190 C GLU A 71 18.517 -8.864 18.280 1.00 0.00 C ATOM 1191 O GLU A 71 18.684 -9.879 17.595 1.00 0.00 O ATOM 1192 CB GLU A 71 17.959 -9.718 20.677 1.00 0.00 C ATOM 1193 CG GLU A 71 18.142 -11.247 20.463 1.00 0.00 C ATOM 1194 CD GLU A 71 18.798 -11.974 21.632 1.00 0.00 C ATOM 1195 OE1 GLU A 71 19.971 -12.334 21.640 1.00 0.00 O ATOM 1196 OE2 GLU A 71 17.934 -12.191 22.662 1.00 0.00 O ATOM 0 H GLU A 71 15.798 -10.165 19.442 1.00 0.00 H new ATOM 0 HA GLU A 71 17.436 -7.822 19.777 1.00 0.00 H new ATOM 0 HB2 GLU A 71 18.911 -9.312 21.019 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.243 -9.577 21.486 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.166 -11.694 20.275 1.00 0.00 H new ATOM 0 HG3 GLU A 71 18.744 -11.407 19.568 1.00 0.00 H new ATOM 1204 N GLU A 72 19.247 -7.750 18.063 1.00 0.00 N ATOM 1205 CA GLU A 72 20.306 -7.664 17.004 1.00 0.00 C ATOM 1206 C GLU A 72 21.658 -8.379 17.381 1.00 0.00 C ATOM 1207 O GLU A 72 22.738 -7.779 17.417 1.00 0.00 O ATOM 1208 CB GLU A 72 20.471 -6.162 16.579 1.00 0.00 C ATOM 1209 CG GLU A 72 20.012 -5.807 15.144 1.00 0.00 C ATOM 1210 CD GLU A 72 20.852 -6.411 14.017 1.00 0.00 C ATOM 1211 OE1 GLU A 72 21.843 -5.873 13.524 1.00 0.00 O ATOM 1212 OE2 GLU A 72 20.373 -7.622 13.617 1.00 0.00 O ATOM 0 H GLU A 72 19.132 -6.891 18.601 1.00 0.00 H new ATOM 0 HA GLU A 72 19.975 -8.237 16.137 1.00 0.00 H new ATOM 0 HB2 GLU A 72 19.912 -5.543 17.281 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.522 -5.890 16.681 1.00 0.00 H new ATOM 0 HG2 GLU A 72 18.980 -6.134 15.020 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.018 -4.722 15.037 1.00 0.00 H new ATOM 1220 N ASP A 73 21.605 -9.704 17.612 1.00 0.00 N ATOM 1221 CA ASP A 73 22.770 -10.491 18.101 1.00 0.00 C ATOM 1222 C ASP A 73 23.620 -11.066 16.915 1.00 0.00 C ATOM 1223 O ASP A 73 23.574 -12.261 16.608 1.00 0.00 O ATOM 1224 CB ASP A 73 22.192 -11.563 19.065 1.00 0.00 C ATOM 1225 CG ASP A 73 23.243 -12.240 19.944 1.00 0.00 C ATOM 1226 OD1 ASP A 73 23.946 -11.639 20.749 1.00 0.00 O ATOM 1227 OD2 ASP A 73 23.312 -13.583 19.734 1.00 0.00 O ATOM 0 H ASP A 73 20.764 -10.263 17.469 1.00 0.00 H new ATOM 0 HA ASP A 73 23.486 -9.874 18.643 1.00 0.00 H new ATOM 0 HB2 ASP A 73 21.444 -11.095 19.705 1.00 0.00 H new ATOM 0 HB3 ASP A 73 21.678 -12.325 18.479 1.00 0.00 H new ATOM 1233 N LEU A 74 24.392 -10.191 16.248 1.00 0.00 N ATOM 1234 CA LEU A 74 25.172 -10.553 15.027 1.00 0.00 C ATOM 1235 C LEU A 74 26.681 -10.198 15.205 1.00 0.00 C ATOM 1236 O LEU A 74 27.040 -9.164 15.785 1.00 0.00 O ATOM 1237 CB LEU A 74 24.568 -9.831 13.789 1.00 0.00 C ATOM 1238 CG LEU A 74 23.152 -10.260 13.317 1.00 0.00 C ATOM 1239 CD1 LEU A 74 22.709 -9.368 12.147 1.00 0.00 C ATOM 1240 CD2 LEU A 74 23.080 -11.735 12.875 1.00 0.00 C ATOM 0 H LEU A 74 24.500 -9.216 16.529 1.00 0.00 H new ATOM 0 HA LEU A 74 25.107 -11.630 14.871 1.00 0.00 H new ATOM 0 HB2 LEU A 74 24.539 -8.763 14.006 1.00 0.00 H new ATOM 0 HB3 LEU A 74 25.255 -9.968 12.954 1.00 0.00 H new ATOM 0 HG LEU A 74 22.488 -10.145 14.174 1.00 0.00 H new ATOM 0 HD11 LEU A 74 21.715 -9.669 11.816 1.00 0.00 H new ATOM 0 HD12 LEU A 74 22.683 -8.328 12.472 1.00 0.00 H new ATOM 0 HD13 LEU A 74 23.414 -9.473 11.322 1.00 0.00 H new ATOM 0 HD21 LEU A 74 22.064 -11.970 12.557 1.00 0.00 H new ATOM 0 HD22 LEU A 74 23.767 -11.900 12.045 1.00 0.00 H new ATOM 0 HD23 LEU A 74 23.357 -12.379 13.710 1.00 0.00 H new ATOM 1252 N THR A 75 27.584 -11.069 14.726 1.00 0.00 N ATOM 1253 CA THR A 75 29.059 -10.905 14.906 1.00 0.00 C ATOM 1254 C THR A 75 29.697 -10.146 13.698 1.00 0.00 C ATOM 1255 O THR A 75 29.992 -10.735 12.653 1.00 0.00 O ATOM 1256 CB THR A 75 29.752 -12.277 15.192 1.00 0.00 C ATOM 1257 OG1 THR A 75 29.409 -13.256 14.217 1.00 0.00 O ATOM 1258 CG2 THR A 75 29.435 -12.886 16.568 1.00 0.00 C ATOM 0 H THR A 75 27.327 -11.907 14.204 1.00 0.00 H new ATOM 0 HA THR A 75 29.226 -10.284 15.786 1.00 0.00 H new ATOM 0 HB THR A 75 30.813 -12.031 15.160 1.00 0.00 H new ATOM 0 HG1 THR A 75 29.452 -12.857 13.323 1.00 0.00 H new ATOM 0 HG21 THR A 75 29.960 -13.835 16.675 1.00 0.00 H new ATOM 0 HG22 THR A 75 29.759 -12.202 17.352 1.00 0.00 H new ATOM 0 HG23 THR A 75 28.361 -13.053 16.653 1.00 0.00 H new ATOM 1266 N GLY A 76 29.923 -8.827 13.848 1.00 0.00 N ATOM 1267 CA GLY A 76 30.652 -8.039 12.821 1.00 0.00 C ATOM 1268 C GLY A 76 30.692 -6.520 13.052 1.00 0.00 C ATOM 1269 O GLY A 76 31.730 -5.986 13.443 1.00 0.00 O ATOM 0 H GLY A 76 29.618 -8.285 14.657 1.00 0.00 H new ATOM 0 HA2 GLY A 76 31.677 -8.407 12.767 1.00 0.00 H new ATOM 0 HA3 GLY A 76 30.193 -8.229 11.851 1.00 0.00 H new ATOM 1273 N ILE A 77 29.580 -5.823 12.772 1.00 0.00 N ATOM 1274 CA ILE A 77 29.526 -4.325 12.811 1.00 0.00 C ATOM 1275 C ILE A 77 29.513 -3.771 14.281 1.00 0.00 C ATOM 1276 O ILE A 77 30.474 -3.108 14.678 1.00 0.00 O ATOM 1277 CB ILE A 77 28.385 -3.799 11.858 1.00 0.00 C ATOM 1278 CG1 ILE A 77 28.523 -4.208 10.356 1.00 0.00 C ATOM 1279 CG2 ILE A 77 28.156 -2.269 11.943 1.00 0.00 C ATOM 1280 CD1 ILE A 77 29.784 -3.736 9.604 1.00 0.00 C ATOM 0 H ILE A 77 28.695 -6.260 12.514 1.00 0.00 H new ATOM 0 HA ILE A 77 30.449 -3.910 12.406 1.00 0.00 H new ATOM 0 HB ILE A 77 27.511 -4.315 12.255 1.00 0.00 H new ATOM 0 HG12 ILE A 77 28.484 -5.296 10.298 1.00 0.00 H new ATOM 0 HG13 ILE A 77 27.651 -3.829 9.822 1.00 0.00 H new ATOM 0 HG21 ILE A 77 27.357 -1.982 11.260 1.00 0.00 H new ATOM 0 HG22 ILE A 77 27.877 -1.999 12.961 1.00 0.00 H new ATOM 0 HG23 ILE A 77 29.073 -1.748 11.668 1.00 0.00 H new ATOM 0 HD11 ILE A 77 29.748 -4.091 8.574 1.00 0.00 H new ATOM 0 HD12 ILE A 77 29.826 -2.647 9.611 1.00 0.00 H new ATOM 0 HD13 ILE A 77 30.671 -4.136 10.094 1.00 0.00 H new ATOM 1292 N ASP A 78 28.451 -4.025 15.072 1.00 0.00 N ATOM 1293 CA ASP A 78 28.401 -3.647 16.519 1.00 0.00 C ATOM 1294 C ASP A 78 28.493 -4.877 17.486 1.00 0.00 C ATOM 1295 O ASP A 78 29.305 -4.850 18.412 1.00 0.00 O ATOM 1296 CB ASP A 78 27.151 -2.751 16.743 1.00 0.00 C ATOM 1297 CG ASP A 78 27.108 -2.048 18.101 1.00 0.00 C ATOM 1298 OD1 ASP A 78 26.428 -2.423 19.051 1.00 0.00 O ATOM 1299 OD2 ASP A 78 27.917 -0.957 18.133 1.00 0.00 O ATOM 0 H ASP A 78 27.607 -4.492 14.741 1.00 0.00 H new ATOM 0 HA ASP A 78 29.290 -3.071 16.776 1.00 0.00 H new ATOM 0 HB2 ASP A 78 27.115 -1.997 15.957 1.00 0.00 H new ATOM 0 HB3 ASP A 78 26.256 -3.365 16.638 1.00 0.00 H new ATOM 1305 N ASP A 79 27.647 -5.919 17.313 1.00 0.00 N ATOM 1306 CA ASP A 79 27.508 -7.059 18.272 1.00 0.00 C ATOM 1307 C ASP A 79 26.979 -6.652 19.693 1.00 0.00 C ATOM 1308 O ASP A 79 27.672 -6.776 20.706 1.00 0.00 O ATOM 1309 CB ASP A 79 28.774 -7.967 18.251 1.00 0.00 C ATOM 1310 CG ASP A 79 28.584 -9.364 18.842 1.00 0.00 C ATOM 1311 OD1 ASP A 79 29.116 -9.737 19.883 1.00 0.00 O ATOM 1312 OD2 ASP A 79 27.769 -10.144 18.073 1.00 0.00 O ATOM 0 H ASP A 79 27.034 -6.000 16.502 1.00 0.00 H new ATOM 0 HA ASP A 79 26.693 -7.687 17.913 1.00 0.00 H new ATOM 0 HB2 ASP A 79 29.111 -8.069 17.219 1.00 0.00 H new ATOM 0 HB3 ASP A 79 29.571 -7.464 18.798 1.00 0.00 H new ATOM 1318 N ARG A 80 25.719 -6.192 19.748 1.00 0.00 N ATOM 1319 CA ARG A 80 25.013 -5.884 21.018 1.00 0.00 C ATOM 1320 C ARG A 80 23.495 -6.196 20.822 1.00 0.00 C ATOM 1321 O ARG A 80 22.918 -5.918 19.763 1.00 0.00 O ATOM 1322 CB ARG A 80 25.263 -4.403 21.426 1.00 0.00 C ATOM 1323 CG ARG A 80 25.101 -4.125 22.945 1.00 0.00 C ATOM 1324 CD ARG A 80 24.629 -2.700 23.306 1.00 0.00 C ATOM 1325 NE ARG A 80 23.173 -2.524 23.039 1.00 0.00 N ATOM 1326 CZ ARG A 80 22.186 -2.909 23.850 1.00 0.00 C ATOM 1327 NH1 ARG A 80 22.362 -3.419 25.049 1.00 0.00 N ATOM 1328 NH2 ARG A 80 20.963 -2.770 23.427 1.00 0.00 N ATOM 0 H ARG A 80 25.154 -6.020 18.916 1.00 0.00 H new ATOM 0 HA ARG A 80 25.394 -6.501 21.832 1.00 0.00 H new ATOM 0 HB2 ARG A 80 26.270 -4.119 21.122 1.00 0.00 H new ATOM 0 HB3 ARG A 80 24.572 -3.765 20.876 1.00 0.00 H new ATOM 0 HG2 ARG A 80 24.389 -4.841 23.355 1.00 0.00 H new ATOM 0 HG3 ARG A 80 26.057 -4.309 23.436 1.00 0.00 H new ATOM 0 HD2 ARG A 80 24.834 -2.503 24.358 1.00 0.00 H new ATOM 0 HD3 ARG A 80 25.197 -1.970 22.729 1.00 0.00 H new ATOM 0 HE ARG A 80 22.909 -2.072 22.164 1.00 0.00 H new ATOM 0 HH11 ARG A 80 23.305 -3.543 25.417 1.00 0.00 H new ATOM 0 HH12 ARG A 80 21.555 -3.690 25.611 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.785 -2.378 22.503 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.183 -3.054 24.020 1.00 0.00 H new ATOM 1342 N LYS A 81 22.833 -6.760 21.848 1.00 0.00 N ATOM 1343 CA LYS A 81 21.425 -7.249 21.740 1.00 0.00 C ATOM 1344 C LYS A 81 20.347 -6.105 21.729 1.00 0.00 C ATOM 1345 O LYS A 81 19.576 -5.925 22.677 1.00 0.00 O ATOM 1346 CB LYS A 81 21.212 -8.286 22.883 1.00 0.00 C ATOM 1347 CG LYS A 81 21.974 -9.625 22.726 1.00 0.00 C ATOM 1348 CD LYS A 81 21.777 -10.638 23.876 1.00 0.00 C ATOM 1349 CE LYS A 81 22.571 -10.372 25.172 1.00 0.00 C ATOM 1350 NZ LYS A 81 21.921 -9.368 26.040 1.00 0.00 N ATOM 0 H LYS A 81 23.244 -6.894 22.772 1.00 0.00 H new ATOM 0 HA LYS A 81 21.280 -7.722 20.769 1.00 0.00 H new ATOM 0 HB2 LYS A 81 21.511 -7.827 23.825 1.00 0.00 H new ATOM 0 HB3 LYS A 81 20.146 -8.502 22.958 1.00 0.00 H new ATOM 0 HG2 LYS A 81 21.661 -10.094 21.793 1.00 0.00 H new ATOM 0 HG3 LYS A 81 23.038 -9.409 22.633 1.00 0.00 H new ATOM 0 HD2 LYS A 81 20.716 -10.668 24.126 1.00 0.00 H new ATOM 0 HD3 LYS A 81 22.046 -11.628 23.508 1.00 0.00 H new ATOM 0 HE2 LYS A 81 22.683 -11.306 25.723 1.00 0.00 H new ATOM 0 HE3 LYS A 81 23.574 -10.031 24.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 22.161 -9.560 27.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 22.254 -8.417 25.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 20.889 -9.419 25.917 1.00 0.00 H new ATOM 1363 N CYS A 82 20.277 -5.358 20.612 1.00 0.00 N ATOM 1364 CA CYS A 82 19.341 -4.213 20.460 1.00 0.00 C ATOM 1365 C CYS A 82 17.955 -4.685 19.935 1.00 0.00 C ATOM 1366 O CYS A 82 17.850 -5.309 18.870 1.00 0.00 O ATOM 1367 CB CYS A 82 19.982 -3.157 19.539 1.00 0.00 C ATOM 1368 SG CYS A 82 21.559 -2.567 20.235 1.00 0.00 S ATOM 0 H CYS A 82 20.860 -5.524 19.792 1.00 0.00 H new ATOM 0 HA CYS A 82 19.160 -3.759 21.434 1.00 0.00 H new ATOM 0 HB2 CYS A 82 20.152 -3.584 18.551 1.00 0.00 H new ATOM 0 HB3 CYS A 82 19.299 -2.317 19.410 1.00 0.00 H new ATOM 0 HG CYS A 82 22.417 -3.544 20.256 1.00 0.00 H new ATOM 1374 N MET A 83 16.888 -4.387 20.695 1.00 0.00 N ATOM 1375 CA MET A 83 15.514 -4.875 20.398 1.00 0.00 C ATOM 1376 C MET A 83 14.932 -4.136 19.157 1.00 0.00 C ATOM 1377 O MET A 83 14.590 -2.955 19.203 1.00 0.00 O ATOM 1378 CB MET A 83 14.637 -4.718 21.669 1.00 0.00 C ATOM 1379 CG MET A 83 14.924 -5.733 22.798 1.00 0.00 C ATOM 1380 SD MET A 83 14.737 -7.438 22.220 1.00 0.00 S ATOM 1381 CE MET A 83 12.956 -7.678 22.362 1.00 0.00 C ATOM 0 H MET A 83 16.944 -3.805 21.530 1.00 0.00 H new ATOM 0 HA MET A 83 15.532 -5.934 20.139 1.00 0.00 H new ATOM 0 HB2 MET A 83 14.775 -3.711 22.064 1.00 0.00 H new ATOM 0 HB3 MET A 83 13.589 -4.806 21.381 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.936 -5.584 23.174 1.00 0.00 H new ATOM 0 HG3 MET A 83 14.245 -5.554 23.631 1.00 0.00 H new ATOM 0 HE1 MET A 83 12.673 -8.604 21.862 1.00 0.00 H new ATOM 0 HE2 MET A 83 12.679 -7.735 23.415 1.00 0.00 H new ATOM 0 HE3 MET A 83 12.438 -6.840 21.895 1.00 0.00 H new ATOM 1391 N THR A 84 14.915 -4.816 18.008 1.00 0.00 N ATOM 1392 CA THR A 84 14.820 -4.150 16.690 1.00 0.00 C ATOM 1393 C THR A 84 13.413 -4.379 16.078 1.00 0.00 C ATOM 1394 O THR A 84 13.063 -5.502 15.705 1.00 0.00 O ATOM 1395 CB THR A 84 15.991 -4.620 15.785 1.00 0.00 C ATOM 1396 OG1 THR A 84 17.250 -4.320 16.393 1.00 0.00 O ATOM 1397 CG2 THR A 84 15.975 -3.918 14.416 1.00 0.00 C ATOM 0 H THR A 84 14.966 -5.833 17.956 1.00 0.00 H new ATOM 0 HA THR A 84 14.926 -3.070 16.794 1.00 0.00 H new ATOM 0 HB THR A 84 15.862 -5.694 15.654 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.319 -4.788 17.251 1.00 0.00 H new ATOM 0 HG21 THR A 84 16.811 -4.275 13.814 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.038 -4.139 13.904 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.065 -2.841 14.558 1.00 0.00 H new ATOM 1405 N THR A 85 12.634 -3.296 15.944 1.00 0.00 N ATOM 1406 CA THR A 85 11.350 -3.325 15.187 1.00 0.00 C ATOM 1407 C THR A 85 11.612 -2.760 13.762 1.00 0.00 C ATOM 1408 O THR A 85 12.006 -1.599 13.620 1.00 0.00 O ATOM 1409 CB THR A 85 10.259 -2.512 15.939 1.00 0.00 C ATOM 1410 OG1 THR A 85 9.921 -3.151 17.163 1.00 0.00 O ATOM 1411 CG2 THR A 85 8.918 -2.382 15.192 1.00 0.00 C ATOM 0 H THR A 85 12.860 -2.386 16.345 1.00 0.00 H new ATOM 0 HA THR A 85 10.980 -4.347 15.102 1.00 0.00 H new ATOM 0 HB THR A 85 10.710 -1.527 16.058 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.503 -2.818 17.878 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.221 -1.799 15.794 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.080 -1.881 14.238 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.503 -3.374 15.015 1.00 0.00 H new ATOM 1419 N VAL A 86 11.332 -3.569 12.730 1.00 0.00 N ATOM 1420 CA VAL A 86 11.328 -3.108 11.311 1.00 0.00 C ATOM 1421 C VAL A 86 9.839 -3.087 10.835 1.00 0.00 C ATOM 1422 O VAL A 86 9.149 -4.104 10.937 1.00 0.00 O ATOM 1423 CB VAL A 86 12.228 -4.004 10.392 1.00 0.00 C ATOM 1424 CG1 VAL A 86 12.375 -3.376 8.990 1.00 0.00 C ATOM 1425 CG2 VAL A 86 13.659 -4.268 10.914 1.00 0.00 C ATOM 0 H VAL A 86 11.102 -4.556 12.841 1.00 0.00 H new ATOM 0 HA VAL A 86 11.760 -2.110 11.242 1.00 0.00 H new ATOM 0 HB VAL A 86 11.700 -4.958 10.374 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.003 -4.015 8.369 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.392 -3.278 8.530 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.834 -2.391 9.079 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.195 -4.897 10.204 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.185 -3.320 11.028 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.607 -4.773 11.879 1.00 0.00 H new ATOM 1435 N SER A 87 9.352 -1.955 10.302 1.00 0.00 N ATOM 1436 CA SER A 87 7.930 -1.782 9.889 1.00 0.00 C ATOM 1437 C SER A 87 7.825 -1.138 8.469 1.00 0.00 C ATOM 1438 O SER A 87 8.615 -0.264 8.094 1.00 0.00 O ATOM 1439 CB SER A 87 7.202 -0.920 10.950 1.00 0.00 C ATOM 1440 OG SER A 87 7.057 -1.633 12.180 1.00 0.00 O ATOM 0 H SER A 87 9.925 -1.127 10.141 1.00 0.00 H new ATOM 0 HA SER A 87 7.452 -2.760 9.828 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.762 -0.001 11.123 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.220 -0.630 10.576 1.00 0.00 H new ATOM 0 HG SER A 87 6.596 -1.067 12.834 1.00 0.00 H new ATOM 1446 N TRP A 88 6.821 -1.549 7.671 1.00 0.00 N ATOM 1447 CA TRP A 88 6.608 -0.997 6.303 1.00 0.00 C ATOM 1448 C TRP A 88 5.796 0.339 6.285 1.00 0.00 C ATOM 1449 O TRP A 88 4.628 0.375 6.683 1.00 0.00 O ATOM 1450 CB TRP A 88 5.890 -2.059 5.412 1.00 0.00 C ATOM 1451 CG TRP A 88 6.805 -2.982 4.602 1.00 0.00 C ATOM 1452 CD1 TRP A 88 6.781 -4.392 4.612 1.00 0.00 C ATOM 1453 CD2 TRP A 88 7.675 -2.634 3.583 1.00 0.00 C ATOM 1454 NE1 TRP A 88 7.651 -4.941 3.651 1.00 0.00 N ATOM 1455 CE2 TRP A 88 8.177 -3.832 3.012 1.00 0.00 C ATOM 1456 CE3 TRP A 88 8.025 -1.372 3.028 1.00 0.00 C ATOM 1457 CZ2 TRP A 88 9.016 -3.776 1.880 1.00 0.00 C ATOM 1458 CZ3 TRP A 88 8.861 -1.350 1.913 1.00 0.00 C ATOM 1459 CH2 TRP A 88 9.338 -2.532 1.341 1.00 0.00 C ATOM 0 H TRP A 88 6.141 -2.260 7.942 1.00 0.00 H new ATOM 0 HA TRP A 88 7.596 -0.765 5.906 1.00 0.00 H new ATOM 0 HB2 TRP A 88 5.259 -2.676 6.052 1.00 0.00 H new ATOM 0 HB3 TRP A 88 5.228 -1.537 4.720 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.168 -4.981 5.278 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.847 -5.925 3.469 1.00 0.00 H new ATOM 0 HE3 TRP A 88 7.653 -0.455 3.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 9.403 -4.682 1.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 9.146 -0.401 1.483 1.00 0.00 H new ATOM 0 HH2 TRP A 88 9.968 -2.481 0.465 1.00 0.00 H new ATOM 1470 N ASP A 89 6.384 1.404 5.713 1.00 0.00 N ATOM 1471 CA ASP A 89 5.641 2.626 5.291 1.00 0.00 C ATOM 1472 C ASP A 89 5.560 2.705 3.719 1.00 0.00 C ATOM 1473 O ASP A 89 6.129 3.604 3.090 1.00 0.00 O ATOM 1474 CB ASP A 89 6.358 3.813 5.997 1.00 0.00 C ATOM 1475 CG ASP A 89 5.657 5.163 5.870 1.00 0.00 C ATOM 1476 OD1 ASP A 89 4.485 5.357 6.179 1.00 0.00 O ATOM 1477 OD2 ASP A 89 6.481 6.133 5.387 1.00 0.00 O ATOM 0 H ASP A 89 7.386 1.452 5.526 1.00 0.00 H new ATOM 0 HA ASP A 89 4.593 2.634 5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.464 3.575 7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.364 3.904 5.588 1.00 0.00 H new ATOM 1483 N GLY A 90 4.844 1.751 3.082 1.00 0.00 N ATOM 1484 CA GLY A 90 4.659 1.707 1.601 1.00 0.00 C ATOM 1485 C GLY A 90 5.923 1.404 0.760 1.00 0.00 C ATOM 1486 O GLY A 90 6.287 0.244 0.552 1.00 0.00 O ATOM 0 H GLY A 90 4.376 0.989 3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.907 0.952 1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.255 2.667 1.278 1.00 0.00 H new ATOM 1490 N ASP A 91 6.592 2.466 0.293 1.00 0.00 N ATOM 1491 CA ASP A 91 7.982 2.369 -0.245 1.00 0.00 C ATOM 1492 C ASP A 91 9.125 2.384 0.836 1.00 0.00 C ATOM 1493 O ASP A 91 10.183 1.801 0.584 1.00 0.00 O ATOM 1494 CB ASP A 91 8.146 3.485 -1.313 1.00 0.00 C ATOM 1495 CG ASP A 91 9.402 3.361 -2.181 1.00 0.00 C ATOM 1496 OD1 ASP A 91 10.464 3.910 -1.912 1.00 0.00 O ATOM 1497 OD2 ASP A 91 9.206 2.558 -3.266 1.00 0.00 O ATOM 0 H ASP A 91 6.205 3.409 0.271 1.00 0.00 H new ATOM 0 HA ASP A 91 8.105 1.383 -0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.270 3.479 -1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.163 4.451 -0.809 1.00 0.00 H new ATOM 1503 N LYS A 92 8.949 3.059 1.989 1.00 0.00 N ATOM 1504 CA LYS A 92 10.036 3.273 2.981 1.00 0.00 C ATOM 1505 C LYS A 92 9.967 2.194 4.106 1.00 0.00 C ATOM 1506 O LYS A 92 9.001 2.120 4.870 1.00 0.00 O ATOM 1507 CB LYS A 92 9.985 4.719 3.552 1.00 0.00 C ATOM 1508 CG LYS A 92 9.977 5.877 2.517 1.00 0.00 C ATOM 1509 CD LYS A 92 10.201 7.278 3.119 1.00 0.00 C ATOM 1510 CE LYS A 92 11.688 7.623 3.299 1.00 0.00 C ATOM 1511 NZ LYS A 92 11.829 8.926 3.975 1.00 0.00 N ATOM 0 H LYS A 92 8.057 3.471 2.263 1.00 0.00 H new ATOM 0 HA LYS A 92 10.998 3.161 2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.092 4.809 4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.844 4.856 4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.751 5.687 1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.022 5.870 1.991 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.736 8.023 2.474 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.700 7.337 4.085 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.181 6.846 3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.182 7.653 2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.838 9.149 4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.375 9.665 3.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.374 8.884 4.909 1.00 0.00 H new ATOM 1524 N LEU A 93 11.001 1.352 4.219 1.00 0.00 N ATOM 1525 CA LEU A 93 11.120 0.349 5.307 1.00 0.00 C ATOM 1526 C LEU A 93 11.805 1.001 6.553 1.00 0.00 C ATOM 1527 O LEU A 93 12.985 1.371 6.516 1.00 0.00 O ATOM 1528 CB LEU A 93 11.876 -0.861 4.700 1.00 0.00 C ATOM 1529 CG LEU A 93 11.978 -2.125 5.586 1.00 0.00 C ATOM 1530 CD1 LEU A 93 10.615 -2.798 5.825 1.00 0.00 C ATOM 1531 CD2 LEU A 93 12.923 -3.138 4.924 1.00 0.00 C ATOM 0 H LEU A 93 11.783 1.339 3.564 1.00 0.00 H new ATOM 0 HA LEU A 93 10.159 -0.006 5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.385 -1.137 3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.886 -0.540 4.446 1.00 0.00 H new ATOM 0 HG LEU A 93 12.362 -1.805 6.555 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.749 -3.679 6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.945 -2.097 6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.184 -3.096 4.869 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.996 -4.029 5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.534 -3.412 3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.912 -2.693 4.810 1.00 0.00 H new ATOM 1543 N GLN A 94 11.025 1.184 7.628 1.00 0.00 N ATOM 1544 CA GLN A 94 11.411 2.015 8.801 1.00 0.00 C ATOM 1545 C GLN A 94 11.844 1.106 9.984 1.00 0.00 C ATOM 1546 O GLN A 94 11.089 0.228 10.413 1.00 0.00 O ATOM 1547 CB GLN A 94 10.192 2.881 9.234 1.00 0.00 C ATOM 1548 CG GLN A 94 9.683 3.941 8.221 1.00 0.00 C ATOM 1549 CD GLN A 94 10.539 5.168 7.882 1.00 0.00 C ATOM 1550 OE1 GLN A 94 10.547 5.638 6.750 1.00 0.00 O ATOM 1551 NE2 GLN A 94 11.245 5.758 8.818 1.00 0.00 N ATOM 0 H GLN A 94 10.101 0.761 7.719 1.00 0.00 H new ATOM 0 HA GLN A 94 12.247 2.658 8.526 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.365 2.210 9.465 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.454 3.395 10.159 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.482 3.421 7.285 1.00 0.00 H new ATOM 0 HG3 GLN A 94 8.727 4.309 8.593 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.251 5.382 9.766 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.788 6.593 8.597 1.00 0.00 H new ATOM 1560 N CYS A 95 13.044 1.333 10.530 1.00 0.00 N ATOM 1561 CA CYS A 95 13.624 0.476 11.589 1.00 0.00 C ATOM 1562 C CYS A 95 14.076 1.315 12.812 1.00 0.00 C ATOM 1563 O CYS A 95 14.871 2.250 12.670 1.00 0.00 O ATOM 1564 CB CYS A 95 14.802 -0.305 10.980 1.00 0.00 C ATOM 1565 SG CYS A 95 15.453 -1.552 12.145 1.00 0.00 S ATOM 0 H CYS A 95 13.644 2.111 10.257 1.00 0.00 H new ATOM 0 HA CYS A 95 12.869 -0.219 11.955 1.00 0.00 H new ATOM 0 HB2 CYS A 95 14.478 -0.797 10.063 1.00 0.00 H new ATOM 0 HB3 CYS A 95 15.597 0.389 10.706 1.00 0.00 H new ATOM 0 HG CYS A 95 16.593 -2.000 11.709 1.00 0.00 H new ATOM 1571 N VAL A 96 13.642 0.913 14.019 1.00 0.00 N ATOM 1572 CA VAL A 96 14.271 1.371 15.294 1.00 0.00 C ATOM 1573 C VAL A 96 15.047 0.181 15.954 1.00 0.00 C ATOM 1574 O VAL A 96 14.482 -0.896 16.163 1.00 0.00 O ATOM 1575 CB VAL A 96 13.227 2.069 16.234 1.00 0.00 C ATOM 1576 CG1 VAL A 96 12.106 1.157 16.790 1.00 0.00 C ATOM 1577 CG2 VAL A 96 13.904 2.789 17.423 1.00 0.00 C ATOM 0 H VAL A 96 12.859 0.272 14.150 1.00 0.00 H new ATOM 0 HA VAL A 96 15.009 2.146 15.086 1.00 0.00 H new ATOM 0 HB VAL A 96 12.748 2.786 15.567 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.442 1.743 17.426 1.00 0.00 H new ATOM 0 HG12 VAL A 96 11.536 0.735 15.962 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.549 0.350 17.374 1.00 0.00 H new ATOM 0 HG21 VAL A 96 13.142 3.257 18.046 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.463 2.065 18.016 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.584 3.553 17.046 1.00 0.00 H new ATOM 1587 N GLN A 97 16.332 0.388 16.293 1.00 0.00 N ATOM 1588 CA GLN A 97 17.170 -0.610 17.022 1.00 0.00 C ATOM 1589 C GLN A 97 17.315 -0.168 18.521 1.00 0.00 C ATOM 1590 O GLN A 97 18.349 0.370 18.929 1.00 0.00 O ATOM 1591 CB GLN A 97 18.535 -0.721 16.273 1.00 0.00 C ATOM 1592 CG GLN A 97 18.500 -1.363 14.860 1.00 0.00 C ATOM 1593 CD GLN A 97 19.797 -1.308 14.040 1.00 0.00 C ATOM 1594 OE1 GLN A 97 20.510 -0.313 13.976 1.00 0.00 O ATOM 1595 NE2 GLN A 97 20.134 -2.362 13.337 1.00 0.00 N ATOM 0 H GLN A 97 16.830 1.251 16.073 1.00 0.00 H new ATOM 0 HA GLN A 97 16.713 -1.600 17.037 1.00 0.00 H new ATOM 0 HB2 GLN A 97 18.957 0.280 16.182 1.00 0.00 H new ATOM 0 HB3 GLN A 97 19.219 -1.300 16.894 1.00 0.00 H new ATOM 0 HG2 GLN A 97 18.212 -2.409 14.969 1.00 0.00 H new ATOM 0 HG3 GLN A 97 17.714 -0.874 14.285 1.00 0.00 H new ATOM 0 HE21 GLN A 97 19.559 -3.203 13.372 1.00 0.00 H new ATOM 0 HE22 GLN A 97 20.972 -2.341 12.755 1.00 0.00 H new ATOM 1604 N LYS A 98 16.264 -0.356 19.346 1.00 0.00 N ATOM 1605 CA LYS A 98 16.174 0.277 20.698 1.00 0.00 C ATOM 1606 C LYS A 98 16.907 -0.513 21.839 1.00 0.00 C ATOM 1607 O LYS A 98 16.902 -1.748 21.888 1.00 0.00 O ATOM 1608 CB LYS A 98 14.687 0.614 21.039 1.00 0.00 C ATOM 1609 CG LYS A 98 13.736 -0.584 21.275 1.00 0.00 C ATOM 1610 CD LYS A 98 12.279 -0.270 21.656 1.00 0.00 C ATOM 1611 CE LYS A 98 11.430 0.238 20.476 1.00 0.00 C ATOM 1612 NZ LYS A 98 9.995 0.031 20.755 1.00 0.00 N ATOM 0 H LYS A 98 15.461 -0.939 19.109 1.00 0.00 H new ATOM 0 HA LYS A 98 16.732 1.212 20.644 1.00 0.00 H new ATOM 0 HB2 LYS A 98 14.676 1.237 21.933 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.280 1.216 20.226 1.00 0.00 H new ATOM 0 HG2 LYS A 98 13.724 -1.188 20.367 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.164 -1.203 22.064 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.817 -1.169 22.065 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.272 0.480 22.447 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.626 1.297 20.306 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.710 -0.288 19.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.433 0.715 20.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.724 -0.935 20.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.816 0.167 21.770 1.00 0.00 H new ATOM 1625 N GLY A 99 17.507 0.227 22.784 1.00 0.00 N ATOM 1626 CA GLY A 99 18.100 -0.359 24.012 1.00 0.00 C ATOM 1627 C GLY A 99 19.095 0.604 24.687 1.00 0.00 C ATOM 1628 O GLY A 99 18.702 1.670 25.165 1.00 0.00 O ATOM 0 H GLY A 99 17.598 1.241 22.727 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.305 -0.610 24.714 1.00 0.00 H new ATOM 0 HA3 GLY A 99 18.609 -1.289 23.761 1.00 0.00 H new ATOM 1632 N GLU A 100 20.384 0.236 24.713 1.00 0.00 N ATOM 1633 CA GLU A 100 21.468 1.115 25.251 1.00 0.00 C ATOM 1634 C GLU A 100 21.983 2.234 24.276 1.00 0.00 C ATOM 1635 O GLU A 100 22.332 3.322 24.741 1.00 0.00 O ATOM 1636 CB GLU A 100 22.602 0.173 25.740 1.00 0.00 C ATOM 1637 CG GLU A 100 23.708 0.841 26.591 1.00 0.00 C ATOM 1638 CD GLU A 100 24.812 -0.133 26.998 1.00 0.00 C ATOM 1639 OE1 GLU A 100 25.818 -0.334 26.323 1.00 0.00 O ATOM 1640 OE2 GLU A 100 24.537 -0.757 28.181 1.00 0.00 O ATOM 0 H GLU A 100 20.716 -0.665 24.370 1.00 0.00 H new ATOM 0 HA GLU A 100 21.058 1.707 26.069 1.00 0.00 H new ATOM 0 HB2 GLU A 100 22.155 -0.631 26.325 1.00 0.00 H new ATOM 0 HB3 GLU A 100 23.068 -0.288 24.869 1.00 0.00 H new ATOM 0 HG2 GLU A 100 24.146 1.664 26.027 1.00 0.00 H new ATOM 0 HG3 GLU A 100 23.261 1.271 27.487 1.00 0.00 H new ATOM 1648 N LYS A 101 22.064 1.979 22.954 1.00 0.00 N ATOM 1649 CA LYS A 101 22.588 2.957 21.962 1.00 0.00 C ATOM 1650 C LYS A 101 21.534 4.070 21.638 1.00 0.00 C ATOM 1651 O LYS A 101 20.462 3.786 21.088 1.00 0.00 O ATOM 1652 CB LYS A 101 23.015 2.148 20.704 1.00 0.00 C ATOM 1653 CG LYS A 101 24.043 2.844 19.775 1.00 0.00 C ATOM 1654 CD LYS A 101 25.512 2.833 20.260 1.00 0.00 C ATOM 1655 CE LYS A 101 26.133 1.428 20.395 1.00 0.00 C ATOM 1656 NZ LYS A 101 27.586 1.527 20.628 1.00 0.00 N ATOM 0 H LYS A 101 21.771 1.095 22.539 1.00 0.00 H new ATOM 0 HA LYS A 101 23.449 3.493 22.362 1.00 0.00 H new ATOM 0 HB2 LYS A 101 23.434 1.197 21.031 1.00 0.00 H new ATOM 0 HB3 LYS A 101 22.123 1.919 20.121 1.00 0.00 H new ATOM 0 HG2 LYS A 101 24.001 2.366 18.796 1.00 0.00 H new ATOM 0 HG3 LYS A 101 23.735 3.880 19.637 1.00 0.00 H new ATOM 0 HD2 LYS A 101 26.115 3.417 19.565 1.00 0.00 H new ATOM 0 HD3 LYS A 101 25.565 3.334 21.227 1.00 0.00 H new ATOM 0 HE2 LYS A 101 25.662 0.893 21.220 1.00 0.00 H new ATOM 0 HE3 LYS A 101 25.942 0.851 19.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 28.052 0.661 20.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 27.965 2.348 20.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 27.767 1.642 21.646 1.00 0.00 H new ATOM 1669 N GLU A 102 21.825 5.335 21.998 1.00 0.00 N ATOM 1670 CA GLU A 102 20.822 6.437 21.952 1.00 0.00 C ATOM 1671 C GLU A 102 20.516 6.919 20.497 1.00 0.00 C ATOM 1672 O GLU A 102 21.419 7.339 19.774 1.00 0.00 O ATOM 1673 CB GLU A 102 21.258 7.573 22.924 1.00 0.00 C ATOM 1674 CG GLU A 102 22.567 8.347 22.601 1.00 0.00 C ATOM 1675 CD GLU A 102 22.911 9.440 23.609 1.00 0.00 C ATOM 1676 OE1 GLU A 102 23.730 9.296 24.512 1.00 0.00 O ATOM 1677 OE2 GLU A 102 22.206 10.587 23.381 1.00 0.00 O ATOM 0 H GLU A 102 22.746 5.628 22.325 1.00 0.00 H new ATOM 0 HA GLU A 102 19.862 6.058 22.302 1.00 0.00 H new ATOM 0 HB2 GLU A 102 20.446 8.298 22.976 1.00 0.00 H new ATOM 0 HB3 GLU A 102 21.363 7.140 23.919 1.00 0.00 H new ATOM 0 HG2 GLU A 102 23.393 7.638 22.555 1.00 0.00 H new ATOM 0 HG3 GLU A 102 22.476 8.796 21.612 1.00 0.00 H new ATOM 1685 N GLY A 103 19.258 6.815 20.039 1.00 0.00 N ATOM 1686 CA GLY A 103 18.910 7.105 18.615 1.00 0.00 C ATOM 1687 C GLY A 103 19.423 6.145 17.518 1.00 0.00 C ATOM 1688 O GLY A 103 19.819 6.618 16.451 1.00 0.00 O ATOM 0 H GLY A 103 18.465 6.537 20.617 1.00 0.00 H new ATOM 0 HA2 GLY A 103 17.823 7.142 18.541 1.00 0.00 H new ATOM 0 HA3 GLY A 103 19.280 8.103 18.381 1.00 0.00 H new ATOM 1692 N ARG A 104 19.393 4.824 17.757 1.00 0.00 N ATOM 1693 CA ARG A 104 19.843 3.819 16.761 1.00 0.00 C ATOM 1694 C ARG A 104 18.662 3.320 15.862 1.00 0.00 C ATOM 1695 O ARG A 104 17.604 2.909 16.351 1.00 0.00 O ATOM 1696 CB ARG A 104 20.600 2.688 17.505 1.00 0.00 C ATOM 1697 CG ARG A 104 21.425 1.769 16.570 1.00 0.00 C ATOM 1698 CD ARG A 104 21.924 0.486 17.253 1.00 0.00 C ATOM 1699 NE ARG A 104 22.410 -0.462 16.220 1.00 0.00 N ATOM 1700 CZ ARG A 104 23.104 -1.573 16.461 1.00 0.00 C ATOM 1701 NH1 ARG A 104 23.574 -1.910 17.640 1.00 0.00 N ATOM 1702 NH2 ARG A 104 23.331 -2.379 15.461 1.00 0.00 N ATOM 0 H ARG A 104 19.062 4.419 18.633 1.00 0.00 H new ATOM 0 HA ARG A 104 20.539 4.273 16.056 1.00 0.00 H new ATOM 0 HB2 ARG A 104 21.267 3.134 18.242 1.00 0.00 H new ATOM 0 HB3 ARG A 104 19.880 2.081 18.053 1.00 0.00 H new ATOM 0 HG2 ARG A 104 20.814 1.498 15.709 1.00 0.00 H new ATOM 0 HG3 ARG A 104 22.282 2.326 16.191 1.00 0.00 H new ATOM 0 HD2 ARG A 104 22.726 0.721 17.953 1.00 0.00 H new ATOM 0 HD3 ARG A 104 21.119 0.031 17.831 1.00 0.00 H new ATOM 0 HE ARG A 104 22.195 -0.245 15.247 1.00 0.00 H new ATOM 0 HH11 ARG A 104 23.415 -1.304 18.445 1.00 0.00 H new ATOM 0 HH12 ARG A 104 24.098 -2.778 17.751 1.00 0.00 H new ATOM 0 HH21 ARG A 104 22.980 -2.149 14.531 1.00 0.00 H new ATOM 0 HH22 ARG A 104 23.859 -3.239 15.609 1.00 0.00 H new ATOM 1716 N GLY A 105 18.867 3.333 14.538 1.00 0.00 N ATOM 1717 CA GLY A 105 17.883 2.801 13.563 1.00 0.00 C ATOM 1718 C GLY A 105 18.327 2.926 12.091 1.00 0.00 C ATOM 1719 O GLY A 105 19.478 3.240 11.772 1.00 0.00 O ATOM 0 H GLY A 105 19.712 3.708 14.106 1.00 0.00 H new ATOM 0 HA2 GLY A 105 17.696 1.751 13.787 1.00 0.00 H new ATOM 0 HA3 GLY A 105 16.938 3.328 13.692 1.00 0.00 H new ATOM 1723 N TRP A 106 17.386 2.684 11.170 1.00 0.00 N ATOM 1724 CA TRP A 106 17.624 2.871 9.707 1.00 0.00 C ATOM 1725 C TRP A 106 16.307 3.099 8.899 1.00 0.00 C ATOM 1726 O TRP A 106 15.218 2.669 9.283 1.00 0.00 O ATOM 1727 CB TRP A 106 18.571 1.795 9.083 1.00 0.00 C ATOM 1728 CG TRP A 106 18.199 0.314 9.207 1.00 0.00 C ATOM 1729 CD1 TRP A 106 18.740 -0.580 10.155 1.00 0.00 C ATOM 1730 CD2 TRP A 106 17.303 -0.429 8.460 1.00 0.00 C ATOM 1731 NE1 TRP A 106 18.199 -1.871 10.021 1.00 0.00 N ATOM 1732 CE2 TRP A 106 17.308 -1.754 8.968 1.00 0.00 C ATOM 1733 CE3 TRP A 106 16.402 -0.057 7.430 1.00 0.00 C ATOM 1734 CZ2 TRP A 106 16.405 -2.713 8.454 1.00 0.00 C ATOM 1735 CZ3 TRP A 106 15.512 -1.017 6.950 1.00 0.00 C ATOM 1736 CH2 TRP A 106 15.521 -2.328 7.446 1.00 0.00 C ATOM 0 H TRP A 106 16.447 2.357 11.398 1.00 0.00 H new ATOM 0 HA TRP A 106 18.179 3.805 9.619 1.00 0.00 H new ATOM 0 HB2 TRP A 106 18.671 2.021 8.021 1.00 0.00 H new ATOM 0 HB3 TRP A 106 19.556 1.925 9.531 1.00 0.00 H new ATOM 0 HD1 TRP A 106 19.479 -0.306 10.893 1.00 0.00 H new ATOM 0 HE1 TRP A 106 18.414 -2.702 10.572 1.00 0.00 H new ATOM 0 HE3 TRP A 106 16.405 0.945 7.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.400 -3.724 8.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.803 -0.746 6.182 1.00 0.00 H new ATOM 0 HH2 TRP A 106 14.831 -3.053 7.040 1.00 0.00 H new ATOM 1747 N THR A 107 16.420 3.798 7.760 1.00 0.00 N ATOM 1748 CA THR A 107 15.286 4.046 6.823 1.00 0.00 C ATOM 1749 C THR A 107 15.749 3.657 5.383 1.00 0.00 C ATOM 1750 O THR A 107 16.689 4.252 4.844 1.00 0.00 O ATOM 1751 CB THR A 107 14.834 5.531 6.962 1.00 0.00 C ATOM 1752 OG1 THR A 107 14.265 5.747 8.248 1.00 0.00 O ATOM 1753 CG2 THR A 107 13.752 5.962 5.968 1.00 0.00 C ATOM 0 H THR A 107 17.299 4.214 7.451 1.00 0.00 H new ATOM 0 HA THR A 107 14.414 3.435 7.056 1.00 0.00 H new ATOM 0 HB THR A 107 15.740 6.108 6.778 1.00 0.00 H new ATOM 0 HG1 THR A 107 13.985 6.683 8.329 1.00 0.00 H new ATOM 0 HG21 THR A 107 13.499 7.009 6.137 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.123 5.838 4.950 1.00 0.00 H new ATOM 0 HG23 THR A 107 12.863 5.347 6.108 1.00 0.00 H new ATOM 1761 N GLN A 108 15.089 2.658 4.769 1.00 0.00 N ATOM 1762 CA GLN A 108 15.490 2.107 3.440 1.00 0.00 C ATOM 1763 C GLN A 108 14.339 2.237 2.392 1.00 0.00 C ATOM 1764 O GLN A 108 13.208 1.832 2.663 1.00 0.00 O ATOM 1765 CB GLN A 108 15.940 0.640 3.678 1.00 0.00 C ATOM 1766 CG GLN A 108 16.658 -0.026 2.476 1.00 0.00 C ATOM 1767 CD GLN A 108 17.376 -1.360 2.737 1.00 0.00 C ATOM 1768 OE1 GLN A 108 18.574 -1.503 2.521 1.00 0.00 O ATOM 1769 NE2 GLN A 108 16.696 -2.383 3.193 1.00 0.00 N ATOM 0 H GLN A 108 14.267 2.205 5.168 1.00 0.00 H new ATOM 0 HA GLN A 108 16.315 2.675 3.011 1.00 0.00 H new ATOM 0 HB2 GLN A 108 16.607 0.615 4.540 1.00 0.00 H new ATOM 0 HB3 GLN A 108 15.064 0.044 3.935 1.00 0.00 H new ATOM 0 HG2 GLN A 108 15.921 -0.188 1.690 1.00 0.00 H new ATOM 0 HG3 GLN A 108 17.390 0.681 2.086 1.00 0.00 H new ATOM 0 HE21 GLN A 108 15.698 -2.289 3.381 1.00 0.00 H new ATOM 0 HE22 GLN A 108 17.165 -3.273 3.360 1.00 0.00 H new ATOM 1778 N TRP A 109 14.609 2.792 1.196 1.00 0.00 N ATOM 1779 CA TRP A 109 13.558 3.076 0.165 1.00 0.00 C ATOM 1780 C TRP A 109 14.075 2.920 -1.310 1.00 0.00 C ATOM 1781 O TRP A 109 15.284 2.904 -1.551 1.00 0.00 O ATOM 1782 CB TRP A 109 12.911 4.459 0.487 1.00 0.00 C ATOM 1783 CG TRP A 109 13.714 5.727 0.162 1.00 0.00 C ATOM 1784 CD1 TRP A 109 13.654 6.425 -1.057 1.00 0.00 C ATOM 1785 CD2 TRP A 109 14.655 6.392 0.925 1.00 0.00 C ATOM 1786 NE1 TRP A 109 14.558 7.503 -1.092 1.00 0.00 N ATOM 1787 CE2 TRP A 109 15.159 7.470 0.153 1.00 0.00 C ATOM 1788 CE3 TRP A 109 15.166 6.138 2.222 1.00 0.00 C ATOM 1789 CZ2 TRP A 109 16.188 8.290 0.666 1.00 0.00 C ATOM 1790 CZ3 TRP A 109 16.183 6.961 2.709 1.00 0.00 C ATOM 1791 CH2 TRP A 109 16.685 8.022 1.942 1.00 0.00 C ATOM 0 H TRP A 109 15.550 3.059 0.905 1.00 0.00 H new ATOM 0 HA TRP A 109 12.777 2.318 0.222 1.00 0.00 H new ATOM 0 HB2 TRP A 109 11.964 4.517 -0.050 1.00 0.00 H new ATOM 0 HB3 TRP A 109 12.675 4.477 1.551 1.00 0.00 H new ATOM 0 HD1 TRP A 109 12.993 6.165 -1.870 1.00 0.00 H new ATOM 0 HE1 TRP A 109 14.730 8.156 -1.857 1.00 0.00 H new ATOM 0 HE3 TRP A 109 14.778 5.327 2.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 16.583 9.108 0.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 16.590 6.777 3.693 1.00 0.00 H new ATOM 0 HH2 TRP A 109 17.471 8.643 2.346 1.00 0.00 H new ATOM 1802 N ILE A 110 13.170 2.817 -2.309 1.00 0.00 N ATOM 1803 CA ILE A 110 13.563 2.688 -3.756 1.00 0.00 C ATOM 1804 C ILE A 110 13.298 4.013 -4.547 1.00 0.00 C ATOM 1805 O ILE A 110 12.323 4.744 -4.337 1.00 0.00 O ATOM 1806 CB ILE A 110 12.950 1.386 -4.413 1.00 0.00 C ATOM 1807 CG1 ILE A 110 13.646 0.102 -3.868 1.00 0.00 C ATOM 1808 CG2 ILE A 110 13.006 1.349 -5.971 1.00 0.00 C ATOM 1809 CD1 ILE A 110 12.965 -1.230 -4.229 1.00 0.00 C ATOM 0 H ILE A 110 12.162 2.819 -2.154 1.00 0.00 H new ATOM 0 HA ILE A 110 14.642 2.544 -3.810 1.00 0.00 H new ATOM 0 HB ILE A 110 11.898 1.415 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 110 14.669 0.079 -4.242 1.00 0.00 H new ATOM 0 HG13 ILE A 110 13.705 0.176 -2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 110 12.563 0.420 -6.329 1.00 0.00 H new ATOM 0 HG22 ILE A 110 12.450 2.195 -6.375 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.044 1.406 -6.299 1.00 0.00 H new ATOM 0 HD11 ILE A 110 13.532 -2.056 -3.800 1.00 0.00 H new ATOM 0 HD12 ILE A 110 11.951 -1.240 -3.830 1.00 0.00 H new ATOM 0 HD13 ILE A 110 12.930 -1.339 -5.313 1.00 0.00 H new ATOM 1821 N GLU A 111 14.211 4.309 -5.490 1.00 0.00 N ATOM 1822 CA GLU A 111 14.131 5.497 -6.383 1.00 0.00 C ATOM 1823 C GLU A 111 14.511 5.052 -7.829 1.00 0.00 C ATOM 1824 O GLU A 111 15.671 5.122 -8.252 1.00 0.00 O ATOM 1825 CB GLU A 111 15.029 6.620 -5.793 1.00 0.00 C ATOM 1826 CG GLU A 111 14.596 7.157 -4.411 1.00 0.00 C ATOM 1827 CD GLU A 111 13.352 8.042 -4.391 1.00 0.00 C ATOM 1828 OE1 GLU A 111 13.403 9.268 -4.413 1.00 0.00 O ATOM 1829 OE2 GLU A 111 12.192 7.315 -4.325 1.00 0.00 O ATOM 0 H GLU A 111 15.034 3.731 -5.661 1.00 0.00 H new ATOM 0 HA GLU A 111 13.125 5.912 -6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 111 16.049 6.243 -5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 111 15.051 7.452 -6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.422 6.306 -3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.426 7.723 -3.988 1.00 0.00 H new ATOM 1837 N GLY A 112 13.512 4.535 -8.570 1.00 0.00 N ATOM 1838 CA GLY A 112 13.723 3.943 -9.920 1.00 0.00 C ATOM 1839 C GLY A 112 14.437 2.572 -9.912 1.00 0.00 C ATOM 1840 O GLY A 112 13.874 1.574 -9.458 1.00 0.00 O ATOM 0 H GLY A 112 12.541 4.512 -8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.756 3.832 -10.410 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.307 4.640 -10.522 1.00 0.00 H new ATOM 1844 N ASP A 113 15.689 2.542 -10.390 1.00 0.00 N ATOM 1845 CA ASP A 113 16.586 1.353 -10.245 1.00 0.00 C ATOM 1846 C ASP A 113 17.475 1.269 -8.952 1.00 0.00 C ATOM 1847 O ASP A 113 18.341 0.390 -8.883 1.00 0.00 O ATOM 1848 CB ASP A 113 17.441 1.249 -11.543 1.00 0.00 C ATOM 1849 CG ASP A 113 18.439 2.378 -11.863 1.00 0.00 C ATOM 1850 OD1 ASP A 113 18.732 3.293 -11.092 1.00 0.00 O ATOM 1851 OD2 ASP A 113 18.962 2.240 -13.115 1.00 0.00 O ATOM 0 H ASP A 113 16.118 3.324 -10.885 1.00 0.00 H new ATOM 0 HA ASP A 113 15.929 0.494 -10.108 1.00 0.00 H new ATOM 0 HB2 ASP A 113 18.002 0.316 -11.496 1.00 0.00 H new ATOM 0 HB3 ASP A 113 16.754 1.166 -12.385 1.00 0.00 H new ATOM 1857 N GLU A 114 17.309 2.163 -7.960 1.00 0.00 N ATOM 1858 CA GLU A 114 18.283 2.332 -6.849 1.00 0.00 C ATOM 1859 C GLU A 114 17.632 2.163 -5.448 1.00 0.00 C ATOM 1860 O GLU A 114 16.549 2.683 -5.178 1.00 0.00 O ATOM 1861 CB GLU A 114 18.975 3.716 -7.001 1.00 0.00 C ATOM 1862 CG GLU A 114 20.111 3.735 -8.054 1.00 0.00 C ATOM 1863 CD GLU A 114 20.416 5.122 -8.604 1.00 0.00 C ATOM 1864 OE1 GLU A 114 21.050 5.969 -7.979 1.00 0.00 O ATOM 1865 OE2 GLU A 114 19.900 5.310 -9.859 1.00 0.00 O ATOM 0 H GLU A 114 16.505 2.787 -7.899 1.00 0.00 H new ATOM 0 HA GLU A 114 19.029 1.540 -6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 114 18.225 4.458 -7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.382 4.016 -6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 114 21.016 3.325 -7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.839 3.078 -8.880 1.00 0.00 H new ATOM 1873 N LEU A 115 18.343 1.458 -4.555 1.00 0.00 N ATOM 1874 CA LEU A 115 17.972 1.319 -3.122 1.00 0.00 C ATOM 1875 C LEU A 115 18.775 2.364 -2.286 1.00 0.00 C ATOM 1876 O LEU A 115 20.012 2.358 -2.252 1.00 0.00 O ATOM 1877 CB LEU A 115 18.266 -0.149 -2.719 1.00 0.00 C ATOM 1878 CG LEU A 115 17.898 -0.616 -1.290 1.00 0.00 C ATOM 1879 CD1 LEU A 115 16.377 -0.776 -1.116 1.00 0.00 C ATOM 1880 CD2 LEU A 115 18.587 -1.962 -1.009 1.00 0.00 C ATOM 0 H LEU A 115 19.200 0.961 -4.800 1.00 0.00 H new ATOM 0 HA LEU A 115 16.917 1.522 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 115 17.743 -0.796 -3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.333 -0.323 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 115 18.237 0.144 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 115 16.160 -1.105 -0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 115 15.887 0.180 -1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.006 -1.517 -1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 115 18.333 -2.298 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 115 18.250 -2.702 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 115 19.667 -1.841 -1.089 1.00 0.00 H new ATOM 1892 N HIS A 116 18.045 3.266 -1.626 1.00 0.00 N ATOM 1893 CA HIS A 116 18.623 4.381 -0.835 1.00 0.00 C ATOM 1894 C HIS A 116 18.424 4.083 0.681 1.00 0.00 C ATOM 1895 O HIS A 116 17.303 3.873 1.154 1.00 0.00 O ATOM 1896 CB HIS A 116 17.920 5.700 -1.252 1.00 0.00 C ATOM 1897 CG HIS A 116 18.377 6.328 -2.573 1.00 0.00 C ATOM 1898 ND1 HIS A 116 18.185 5.763 -3.829 1.00 0.00 N ATOM 1899 CD2 HIS A 116 19.011 7.577 -2.686 1.00 0.00 C ATOM 1900 CE1 HIS A 116 18.757 6.742 -4.602 1.00 0.00 C ATOM 1901 NE2 HIS A 116 19.272 7.865 -4.013 1.00 0.00 N ATOM 0 H HIS A 116 17.025 3.252 -1.619 1.00 0.00 H new ATOM 0 HA HIS A 116 19.692 4.483 -1.024 1.00 0.00 H new ATOM 0 HB2 HIS A 116 16.849 5.510 -1.317 1.00 0.00 H new ATOM 0 HB3 HIS A 116 18.067 6.431 -0.457 1.00 0.00 H new ATOM 0 HD2 HIS A 116 19.259 8.220 -1.855 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.801 6.626 -5.675 1.00 0.00 H new ATOM 0 HE2 HIS A 116 19.720 8.680 -4.432 1.00 0.00 H new ATOM 1909 N LEU A 117 19.532 4.062 1.431 1.00 0.00 N ATOM 1910 CA LEU A 117 19.557 3.649 2.857 1.00 0.00 C ATOM 1911 C LEU A 117 20.148 4.795 3.734 1.00 0.00 C ATOM 1912 O LEU A 117 21.310 5.181 3.574 1.00 0.00 O ATOM 1913 CB LEU A 117 20.397 2.341 2.920 1.00 0.00 C ATOM 1914 CG LEU A 117 20.628 1.724 4.323 1.00 0.00 C ATOM 1915 CD1 LEU A 117 19.347 1.136 4.931 1.00 0.00 C ATOM 1916 CD2 LEU A 117 21.694 0.623 4.241 1.00 0.00 C ATOM 0 H LEU A 117 20.448 4.331 1.072 1.00 0.00 H new ATOM 0 HA LEU A 117 18.559 3.458 3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 117 19.907 1.593 2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.371 2.541 2.473 1.00 0.00 H new ATOM 0 HG LEU A 117 20.961 2.534 4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 117 19.569 0.718 5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 117 18.598 1.922 5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 117 18.963 0.350 4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 117 21.851 0.194 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 117 21.360 -0.157 3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 117 22.629 1.049 3.878 1.00 0.00 H new ATOM 1928 N GLU A 118 19.373 5.286 4.712 1.00 0.00 N ATOM 1929 CA GLU A 118 19.901 6.152 5.803 1.00 0.00 C ATOM 1930 C GLU A 118 20.067 5.303 7.100 1.00 0.00 C ATOM 1931 O GLU A 118 19.068 4.854 7.667 1.00 0.00 O ATOM 1932 CB GLU A 118 18.918 7.331 6.057 1.00 0.00 C ATOM 1933 CG GLU A 118 18.977 8.483 5.029 1.00 0.00 C ATOM 1934 CD GLU A 118 17.843 9.499 5.204 1.00 0.00 C ATOM 1935 OE1 GLU A 118 16.655 9.188 5.203 1.00 0.00 O ATOM 1936 OE2 GLU A 118 18.296 10.780 5.354 1.00 0.00 O ATOM 0 H GLU A 118 18.372 5.103 4.779 1.00 0.00 H new ATOM 0 HA GLU A 118 20.870 6.558 5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 118 17.902 6.936 6.075 1.00 0.00 H new ATOM 0 HB3 GLU A 118 19.119 7.741 7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 118 19.934 8.996 5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 118 18.933 8.067 4.022 1.00 0.00 H new ATOM 1944 N MET A 119 21.304 5.104 7.583 1.00 0.00 N ATOM 1945 CA MET A 119 21.567 4.394 8.872 1.00 0.00 C ATOM 1946 C MET A 119 21.935 5.412 9.993 1.00 0.00 C ATOM 1947 O MET A 119 22.832 6.240 9.826 1.00 0.00 O ATOM 1948 CB MET A 119 22.675 3.326 8.718 1.00 0.00 C ATOM 1949 CG MET A 119 22.393 2.184 7.723 1.00 0.00 C ATOM 1950 SD MET A 119 23.587 0.847 7.928 1.00 0.00 S ATOM 1951 CE MET A 119 25.044 1.590 7.176 1.00 0.00 C ATOM 0 H MET A 119 22.149 5.421 7.108 1.00 0.00 H new ATOM 0 HA MET A 119 20.651 3.878 9.158 1.00 0.00 H new ATOM 0 HB2 MET A 119 23.593 3.828 8.411 1.00 0.00 H new ATOM 0 HB3 MET A 119 22.864 2.887 9.697 1.00 0.00 H new ATOM 0 HG2 MET A 119 21.383 1.803 7.876 1.00 0.00 H new ATOM 0 HG3 MET A 119 22.438 2.565 6.703 1.00 0.00 H new ATOM 0 HE1 MET A 119 25.814 0.829 7.045 1.00 0.00 H new ATOM 0 HE2 MET A 119 24.779 2.009 6.206 1.00 0.00 H new ATOM 0 HE3 MET A 119 25.423 2.382 7.822 1.00 0.00 H new ATOM 1961 N ARG A 120 21.229 5.353 11.130 1.00 0.00 N ATOM 1962 CA ARG A 120 21.263 6.407 12.184 1.00 0.00 C ATOM 1963 C ARG A 120 21.762 5.811 13.535 1.00 0.00 C ATOM 1964 O ARG A 120 21.301 4.739 13.939 1.00 0.00 O ATOM 1965 CB ARG A 120 19.817 6.959 12.347 1.00 0.00 C ATOM 1966 CG ARG A 120 19.219 7.679 11.106 1.00 0.00 C ATOM 1967 CD ARG A 120 17.705 7.946 11.181 1.00 0.00 C ATOM 1968 NE ARG A 120 16.926 6.681 11.086 1.00 0.00 N ATOM 1969 CZ ARG A 120 15.599 6.605 11.084 1.00 0.00 C ATOM 1970 NH1 ARG A 120 14.797 7.645 11.016 1.00 0.00 N ATOM 1971 NH2 ARG A 120 15.054 5.422 11.145 1.00 0.00 N ATOM 0 H ARG A 120 20.611 4.574 11.357 1.00 0.00 H new ATOM 0 HA ARG A 120 21.949 7.204 11.897 1.00 0.00 H new ATOM 0 HB2 ARG A 120 19.161 6.130 12.613 1.00 0.00 H new ATOM 0 HB3 ARG A 120 19.807 7.655 13.186 1.00 0.00 H new ATOM 0 HG2 ARG A 120 19.735 8.630 10.972 1.00 0.00 H new ATOM 0 HG3 ARG A 120 19.424 7.077 10.221 1.00 0.00 H new ATOM 0 HD2 ARG A 120 17.469 8.451 12.118 1.00 0.00 H new ATOM 0 HD3 ARG A 120 17.412 8.617 10.374 1.00 0.00 H new ATOM 0 HE ARG A 120 17.449 5.808 11.017 1.00 0.00 H new ATOM 0 HH11 ARG A 120 15.186 8.586 10.960 1.00 0.00 H new ATOM 0 HH12 ARG A 120 13.786 7.510 11.019 1.00 0.00 H new ATOM 0 HH21 ARG A 120 15.643 4.591 11.192 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.038 5.328 11.145 1.00 0.00 H new ATOM 1985 N ALA A 121 22.686 6.489 14.244 1.00 0.00 N ATOM 1986 CA ALA A 121 23.123 6.074 15.609 1.00 0.00 C ATOM 1987 C ALA A 121 23.843 7.220 16.369 1.00 0.00 C ATOM 1988 O ALA A 121 24.667 7.940 15.798 1.00 0.00 O ATOM 1989 CB ALA A 121 24.031 4.831 15.570 1.00 0.00 C ATOM 0 H ALA A 121 23.150 7.330 13.900 1.00 0.00 H new ATOM 0 HA ALA A 121 22.210 5.823 16.150 1.00 0.00 H new ATOM 0 HB1 ALA A 121 24.326 4.564 16.585 1.00 0.00 H new ATOM 0 HB2 ALA A 121 23.490 3.999 15.118 1.00 0.00 H new ATOM 0 HB3 ALA A 121 24.921 5.049 14.979 1.00 0.00 H new ATOM 1995 N GLU A 122 23.525 7.390 17.667 1.00 0.00 N ATOM 1996 CA GLU A 122 24.091 8.470 18.548 1.00 0.00 C ATOM 1997 C GLU A 122 24.065 9.932 17.959 1.00 0.00 C ATOM 1998 O GLU A 122 25.043 10.680 18.036 1.00 0.00 O ATOM 1999 CB GLU A 122 25.430 8.022 19.213 1.00 0.00 C ATOM 2000 CG GLU A 122 25.385 6.656 19.957 1.00 0.00 C ATOM 2001 CD GLU A 122 26.389 6.493 21.097 1.00 0.00 C ATOM 2002 OE1 GLU A 122 26.161 6.887 22.238 1.00 0.00 O ATOM 2003 OE2 GLU A 122 27.534 5.846 20.721 1.00 0.00 O ATOM 0 H GLU A 122 22.863 6.784 18.153 1.00 0.00 H new ATOM 0 HA GLU A 122 23.379 8.589 19.364 1.00 0.00 H new ATOM 0 HB2 GLU A 122 26.199 7.971 18.442 1.00 0.00 H new ATOM 0 HB3 GLU A 122 25.739 8.791 19.921 1.00 0.00 H new ATOM 0 HG2 GLU A 122 24.381 6.513 20.357 1.00 0.00 H new ATOM 0 HG3 GLU A 122 25.555 5.861 19.231 1.00 0.00 H new ATOM 2011 N GLY A 123 22.926 10.309 17.343 1.00 0.00 N ATOM 2012 CA GLY A 123 22.812 11.537 16.506 1.00 0.00 C ATOM 2013 C GLY A 123 23.600 11.662 15.175 1.00 0.00 C ATOM 2014 O GLY A 123 23.853 12.791 14.750 1.00 0.00 O ATOM 0 H GLY A 123 22.058 9.778 17.407 1.00 0.00 H new ATOM 0 HA2 GLY A 123 21.756 11.666 16.268 1.00 0.00 H new ATOM 0 HA3 GLY A 123 23.103 12.381 17.132 1.00 0.00 H new ATOM 2018 N VAL A 124 23.948 10.552 14.503 1.00 0.00 N ATOM 2019 CA VAL A 124 24.787 10.575 13.266 1.00 0.00 C ATOM 2020 C VAL A 124 24.098 9.709 12.161 1.00 0.00 C ATOM 2021 O VAL A 124 23.822 8.526 12.382 1.00 0.00 O ATOM 2022 CB VAL A 124 26.238 10.065 13.569 1.00 0.00 C ATOM 2023 CG1 VAL A 124 27.120 10.008 12.306 1.00 0.00 C ATOM 2024 CG2 VAL A 124 27.010 10.910 14.614 1.00 0.00 C ATOM 0 H VAL A 124 23.665 9.615 14.789 1.00 0.00 H new ATOM 0 HA VAL A 124 24.874 11.600 12.906 1.00 0.00 H new ATOM 0 HB VAL A 124 26.065 9.068 13.974 1.00 0.00 H new ATOM 0 HG11 VAL A 124 28.114 9.648 12.572 1.00 0.00 H new ATOM 0 HG12 VAL A 124 26.672 9.330 11.579 1.00 0.00 H new ATOM 0 HG13 VAL A 124 27.199 11.005 11.872 1.00 0.00 H new ATOM 0 HG21 VAL A 124 28.003 10.486 14.762 1.00 0.00 H new ATOM 0 HG22 VAL A 124 27.103 11.935 14.256 1.00 0.00 H new ATOM 0 HG23 VAL A 124 26.468 10.903 15.560 1.00 0.00 H new ATOM 2034 N THR A 125 23.915 10.278 10.955 1.00 0.00 N ATOM 2035 CA THR A 125 23.331 9.552 9.785 1.00 0.00 C ATOM 2036 C THR A 125 24.434 9.200 8.725 1.00 0.00 C ATOM 2037 O THR A 125 25.127 10.083 8.208 1.00 0.00 O ATOM 2038 CB THR A 125 22.158 10.373 9.158 1.00 0.00 C ATOM 2039 OG1 THR A 125 21.176 10.676 10.145 1.00 0.00 O ATOM 2040 CG2 THR A 125 21.389 9.638 8.045 1.00 0.00 C ATOM 0 H THR A 125 24.162 11.247 10.753 1.00 0.00 H new ATOM 0 HA THR A 125 22.919 8.607 10.139 1.00 0.00 H new ATOM 0 HB THR A 125 22.647 11.255 8.744 1.00 0.00 H new ATOM 0 HG1 THR A 125 20.450 11.192 9.736 1.00 0.00 H new ATOM 0 HG21 THR A 125 20.594 10.280 7.667 1.00 0.00 H new ATOM 0 HG22 THR A 125 22.073 9.391 7.233 1.00 0.00 H new ATOM 0 HG23 THR A 125 20.956 8.722 8.446 1.00 0.00 H new ATOM 2048 N CYS A 126 24.532 7.912 8.351 1.00 0.00 N ATOM 2049 CA CYS A 126 25.236 7.461 7.120 1.00 0.00 C ATOM 2050 C CYS A 126 24.242 7.251 5.936 1.00 0.00 C ATOM 2051 O CYS A 126 23.250 6.528 6.065 1.00 0.00 O ATOM 2052 CB CYS A 126 25.980 6.154 7.459 1.00 0.00 C ATOM 2053 SG CYS A 126 26.582 5.296 5.962 1.00 0.00 S ATOM 0 H CYS A 126 24.127 7.147 8.890 1.00 0.00 H new ATOM 0 HA CYS A 126 25.942 8.225 6.796 1.00 0.00 H new ATOM 0 HB2 CYS A 126 26.824 6.377 8.112 1.00 0.00 H new ATOM 0 HB3 CYS A 126 25.314 5.492 8.013 1.00 0.00 H new ATOM 0 HG CYS A 126 27.396 4.343 6.306 1.00 0.00 H new ATOM 2059 N LYS A 127 24.535 7.853 4.771 1.00 0.00 N ATOM 2060 CA LYS A 127 23.723 7.673 3.533 1.00 0.00 C ATOM 2061 C LYS A 127 24.426 6.679 2.557 1.00 0.00 C ATOM 2062 O LYS A 127 25.475 6.978 1.979 1.00 0.00 O ATOM 2063 CB LYS A 127 23.453 9.062 2.888 1.00 0.00 C ATOM 2064 CG LYS A 127 22.243 9.798 3.503 1.00 0.00 C ATOM 2065 CD LYS A 127 22.077 11.243 2.990 1.00 0.00 C ATOM 2066 CE LYS A 127 20.795 11.952 3.466 1.00 0.00 C ATOM 2067 NZ LYS A 127 20.794 12.195 4.926 1.00 0.00 N ATOM 0 H LYS A 127 25.334 8.476 4.650 1.00 0.00 H new ATOM 0 HA LYS A 127 22.758 7.230 3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 127 24.341 9.684 2.997 1.00 0.00 H new ATOM 0 HB3 LYS A 127 23.285 8.932 1.819 1.00 0.00 H new ATOM 0 HG2 LYS A 127 21.335 9.236 3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 127 22.351 9.816 4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 127 22.939 11.829 3.309 1.00 0.00 H new ATOM 0 HD3 LYS A 127 22.086 11.230 1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 127 20.693 12.902 2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 127 19.928 11.347 3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 19.946 11.766 5.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 21.644 11.771 5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 20.791 13.219 5.107 1.00 0.00 H new ATOM 2080 N GLN A 128 23.832 5.491 2.379 1.00 0.00 N ATOM 2081 CA GLN A 128 24.326 4.455 1.433 1.00 0.00 C ATOM 2082 C GLN A 128 23.370 4.325 0.206 1.00 0.00 C ATOM 2083 O GLN A 128 22.162 4.118 0.360 1.00 0.00 O ATOM 2084 CB GLN A 128 24.469 3.110 2.193 1.00 0.00 C ATOM 2085 CG GLN A 128 25.735 2.988 3.078 1.00 0.00 C ATOM 2086 CD GLN A 128 26.014 1.590 3.646 1.00 0.00 C ATOM 2087 OE1 GLN A 128 25.268 0.628 3.499 1.00 0.00 O ATOM 2088 NE2 GLN A 128 27.132 1.419 4.305 1.00 0.00 N ATOM 0 H GLN A 128 22.991 5.211 2.884 1.00 0.00 H new ATOM 0 HA GLN A 128 25.302 4.745 1.044 1.00 0.00 H new ATOM 0 HB2 GLN A 128 23.590 2.970 2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 128 24.473 2.298 1.466 1.00 0.00 H new ATOM 0 HG2 GLN A 128 26.598 3.301 2.491 1.00 0.00 H new ATOM 0 HG3 GLN A 128 25.644 3.687 3.909 1.00 0.00 H new ATOM 0 HE21 GLN A 128 27.769 2.204 4.441 1.00 0.00 H new ATOM 0 HE22 GLN A 128 27.366 0.501 4.683 1.00 0.00 H new ATOM 2097 N VAL A 129 23.919 4.430 -1.017 1.00 0.00 N ATOM 2098 CA VAL A 129 23.123 4.305 -2.280 1.00 0.00 C ATOM 2099 C VAL A 129 23.595 3.021 -3.036 1.00 0.00 C ATOM 2100 O VAL A 129 24.795 2.814 -3.248 1.00 0.00 O ATOM 2101 CB VAL A 129 23.220 5.595 -3.169 1.00 0.00 C ATOM 2102 CG1 VAL A 129 22.341 5.502 -4.441 1.00 0.00 C ATOM 2103 CG2 VAL A 129 22.804 6.896 -2.441 1.00 0.00 C ATOM 0 H VAL A 129 24.912 4.602 -1.172 1.00 0.00 H new ATOM 0 HA VAL A 129 22.065 4.206 -2.035 1.00 0.00 H new ATOM 0 HB VAL A 129 24.279 5.644 -3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 129 22.443 6.419 -5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 129 22.662 4.653 -5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 129 21.298 5.369 -4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 129 22.899 7.741 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 129 21.769 6.812 -2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 129 23.450 7.052 -1.577 1.00 0.00 H new ATOM 2113 N PHE A 130 22.637 2.192 -3.479 1.00 0.00 N ATOM 2114 CA PHE A 130 22.912 0.942 -4.242 1.00 0.00 C ATOM 2115 C PHE A 130 22.105 0.903 -5.578 1.00 0.00 C ATOM 2116 O PHE A 130 20.977 1.392 -5.633 1.00 0.00 O ATOM 2117 CB PHE A 130 22.519 -0.314 -3.416 1.00 0.00 C ATOM 2118 CG PHE A 130 23.219 -0.584 -2.082 1.00 0.00 C ATOM 2119 CD1 PHE A 130 22.824 0.098 -0.927 1.00 0.00 C ATOM 2120 CD2 PHE A 130 24.181 -1.592 -1.989 1.00 0.00 C ATOM 2121 CE1 PHE A 130 23.402 -0.211 0.300 1.00 0.00 C ATOM 2122 CE2 PHE A 130 24.748 -1.910 -0.762 1.00 0.00 C ATOM 2123 CZ PHE A 130 24.367 -1.213 0.383 1.00 0.00 C ATOM 0 H PHE A 130 21.643 2.361 -3.323 1.00 0.00 H new ATOM 0 HA PHE A 130 23.981 0.936 -4.453 1.00 0.00 H new ATOM 0 HB2 PHE A 130 21.449 -0.254 -3.218 1.00 0.00 H new ATOM 0 HB3 PHE A 130 22.677 -1.186 -4.051 1.00 0.00 H new ATOM 0 HD1 PHE A 130 22.068 0.867 -0.988 1.00 0.00 H new ATOM 0 HD2 PHE A 130 24.486 -2.127 -2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 130 23.103 0.326 1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 130 25.484 -2.697 -0.695 1.00 0.00 H new ATOM 0 HZ PHE A 130 24.820 -1.449 1.335 1.00 0.00 H new ATOM 2133 N LYS A 131 22.636 0.250 -6.625 1.00 0.00 N ATOM 2134 CA LYS A 131 21.926 0.056 -7.924 1.00 0.00 C ATOM 2135 C LYS A 131 21.541 -1.439 -8.168 1.00 0.00 C ATOM 2136 O LYS A 131 22.331 -2.347 -7.886 1.00 0.00 O ATOM 2137 CB LYS A 131 22.853 0.614 -9.035 1.00 0.00 C ATOM 2138 CG LYS A 131 22.118 0.947 -10.353 1.00 0.00 C ATOM 2139 CD LYS A 131 23.030 1.626 -11.390 1.00 0.00 C ATOM 2140 CE LYS A 131 22.237 2.097 -12.618 1.00 0.00 C ATOM 2141 NZ LYS A 131 23.150 2.695 -13.611 1.00 0.00 N ATOM 0 H LYS A 131 23.569 -0.162 -6.606 1.00 0.00 H new ATOM 0 HA LYS A 131 20.977 0.592 -7.921 1.00 0.00 H new ATOM 0 HB2 LYS A 131 23.344 1.515 -8.667 1.00 0.00 H new ATOM 0 HB3 LYS A 131 23.637 -0.115 -9.241 1.00 0.00 H new ATOM 0 HG2 LYS A 131 21.712 0.030 -10.779 1.00 0.00 H new ATOM 0 HG3 LYS A 131 21.272 1.600 -10.137 1.00 0.00 H new ATOM 0 HD2 LYS A 131 23.532 2.478 -10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 131 23.807 0.929 -11.703 1.00 0.00 H new ATOM 0 HE2 LYS A 131 21.705 1.256 -13.062 1.00 0.00 H new ATOM 0 HE3 LYS A 131 21.485 2.827 -12.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 22.605 3.011 -14.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 23.639 3.509 -13.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 23.851 1.987 -13.908 1.00 0.00 H new ATOM 2154 N LYS A 132 20.338 -1.699 -8.720 1.00 0.00 N ATOM 2155 CA LYS A 132 19.848 -3.085 -8.970 1.00 0.00 C ATOM 2156 C LYS A 132 20.551 -3.773 -10.182 1.00 0.00 C ATOM 2157 O LYS A 132 20.497 -3.276 -11.311 1.00 0.00 O ATOM 2158 CB LYS A 132 18.309 -3.056 -9.186 1.00 0.00 C ATOM 2159 CG LYS A 132 17.612 -4.404 -8.882 1.00 0.00 C ATOM 2160 CD LYS A 132 16.083 -4.325 -9.038 1.00 0.00 C ATOM 2161 CE LYS A 132 15.392 -5.640 -8.644 1.00 0.00 C ATOM 2162 NZ LYS A 132 13.929 -5.504 -8.764 1.00 0.00 N ATOM 0 H LYS A 132 19.682 -0.972 -9.004 1.00 0.00 H new ATOM 0 HA LYS A 132 20.096 -3.681 -8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 132 17.877 -2.282 -8.551 1.00 0.00 H new ATOM 0 HB3 LYS A 132 18.101 -2.774 -10.218 1.00 0.00 H new ATOM 0 HG2 LYS A 132 18.003 -5.171 -9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 132 17.855 -4.714 -7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 132 15.698 -3.514 -8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 132 15.837 -4.082 -10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.743 -6.449 -9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.657 -5.906 -7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 13.474 -6.400 -8.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 13.598 -4.745 -8.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 13.681 -5.272 -9.747 1.00 0.00 H new ATOM 2175 N VAL A 133 21.172 -4.935 -9.935 1.00 0.00 N ATOM 2176 CA VAL A 133 21.815 -5.767 -11.006 1.00 0.00 C ATOM 2177 C VAL A 133 21.045 -7.097 -11.311 1.00 0.00 C ATOM 2178 O VAL A 133 20.886 -7.437 -12.486 1.00 0.00 O ATOM 2179 CB VAL A 133 23.353 -5.958 -10.778 1.00 0.00 C ATOM 2180 CG1 VAL A 133 24.127 -4.622 -10.829 1.00 0.00 C ATOM 2181 CG2 VAL A 133 23.753 -6.687 -9.480 1.00 0.00 C ATOM 0 H VAL A 133 21.252 -5.337 -9.001 1.00 0.00 H new ATOM 0 HA VAL A 133 21.729 -5.190 -11.927 1.00 0.00 H new ATOM 0 HB VAL A 133 23.631 -6.603 -11.611 1.00 0.00 H new ATOM 0 HG11 VAL A 133 25.188 -4.810 -10.665 1.00 0.00 H new ATOM 0 HG12 VAL A 133 23.987 -4.158 -11.805 1.00 0.00 H new ATOM 0 HG13 VAL A 133 23.753 -3.955 -10.053 1.00 0.00 H new ATOM 0 HG21 VAL A 133 24.839 -6.763 -9.426 1.00 0.00 H new ATOM 0 HG22 VAL A 133 23.385 -6.127 -8.620 1.00 0.00 H new ATOM 0 HG23 VAL A 133 23.318 -7.687 -9.475 1.00 0.00 H new ATOM 2191 N HIS A 134 20.554 -7.835 -10.292 1.00 0.00 N ATOM 2192 CA HIS A 134 19.597 -8.953 -10.492 1.00 0.00 C ATOM 2193 C HIS A 134 18.185 -8.461 -10.090 1.00 0.00 C ATOM 2194 O HIS A 134 17.310 -8.364 -10.979 1.00 0.00 O ATOM 2195 CB HIS A 134 20.097 -10.186 -9.694 1.00 0.00 C ATOM 2196 CG HIS A 134 19.312 -11.474 -9.937 1.00 0.00 C ATOM 2197 ND1 HIS A 134 18.400 -12.003 -9.046 1.00 0.00 N ATOM 2198 CD2 HIS A 134 19.395 -12.292 -11.077 1.00 0.00 C ATOM 2199 CE1 HIS A 134 17.998 -13.111 -9.744 1.00 0.00 C ATOM 2200 NE2 HIS A 134 18.535 -13.378 -10.978 1.00 0.00 N ATOM 2201 OXT HIS A 134 17.946 -8.167 -8.896 1.00 0.00 O ATOM 0 H HIS A 134 20.805 -7.678 -9.316 1.00 0.00 H new ATOM 0 HA HIS A 134 19.534 -9.269 -11.533 1.00 0.00 H new ATOM 0 HB2 HIS A 134 21.143 -10.363 -9.945 1.00 0.00 H new ATOM 0 HB3 HIS A 134 20.060 -9.951 -8.630 1.00 0.00 H new ATOM 0 HD2 HIS A 134 20.043 -12.101 -11.920 1.00 0.00 H new ATOM 0 HE1 HIS A 134 17.258 -13.775 -9.323 1.00 0.00 H new ATOM 0 HE2 HIS A 134 18.356 -14.144 -11.627 1.00 0.00 H new TER 2209 HIS A 134