USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 549 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 SER OG : rot 180:sc= 0.0181 USER MOD Set 1.2: A 12 GLN : amide:sc= -3.83! C(o=-3.8!,f=-7.4!) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0965 (180deg=0) USER MOD Single : A 2 SER OG : rot 128:sc= 1.21 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 7 SER OG : rot -70:sc= 0.426 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN :FLIP amide:sc= -0.77 F(o=-2.2!,f=-0.77) USER MOD Single : A 16 ASN : amide:sc=-0.00717 X(o=-0.0072,f=-0.3) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0284 USER MOD Single : A 26 THR OG1 : rot -23:sc= 1.15 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00628 USER MOD Single : A 51 THR OG1 : rot 31:sc= 1.22 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0273 USER MOD Single : A 60 SER OG : rot -45:sc= 0.95 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0322 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN :FLIP amide:sc= -0.0739 F(o=-1.4,f=-0.074) USER MOD Single : A 70 ASN : amide:sc= -0.589 K(o=-0.59,f=-6.2!) USER MOD Single : A 72 SER OG : rot 180:sc= -1.94! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.333 1.960 -5.469 1.00 5.63 N ATOM 2 CA GLY A 1 -20.131 1.141 -5.747 1.00 4.92 C ATOM 3 C GLY A 1 -18.960 1.556 -4.887 1.00 4.01 C ATOM 4 O GLY A 1 -19.119 2.338 -3.950 1.00 4.29 O ATOM 0 H1 GLY A 1 -22.130 1.337 -5.227 1.00 5.63 H new ATOM 0 H2 GLY A 1 -21.140 2.600 -4.673 1.00 5.63 H new ATOM 0 H3 GLY A 1 -21.575 2.519 -6.312 1.00 5.63 H new ATOM 0 HA2 GLY A 1 -20.358 0.090 -5.570 1.00 4.92 H new ATOM 0 HA3 GLY A 1 -19.861 1.236 -6.799 1.00 4.92 H new ATOM 10 N SER A 2 -17.786 1.039 -5.203 1.00 3.39 N ATOM 11 CA SER A 2 -16.588 1.365 -4.452 1.00 2.92 C ATOM 12 C SER A 2 -15.491 1.838 -5.400 1.00 2.13 C ATOM 13 O SER A 2 -15.150 1.142 -6.353 1.00 2.36 O ATOM 14 CB SER A 2 -16.112 0.142 -3.667 1.00 3.61 C ATOM 15 OG SER A 2 -17.165 -0.414 -2.892 1.00 4.28 O ATOM 0 H SER A 2 -17.637 0.391 -5.976 1.00 3.39 H new ATOM 0 HA SER A 2 -16.818 2.166 -3.750 1.00 2.92 H new ATOM 0 HB2 SER A 2 -15.729 -0.610 -4.357 1.00 3.61 H new ATOM 0 HB3 SER A 2 -15.287 0.425 -3.014 1.00 3.61 H new ATOM 0 HG SER A 2 -17.240 -1.373 -3.081 1.00 4.28 H new ATOM 21 N TRP A 3 -14.966 3.031 -5.160 1.00 1.93 N ATOM 22 CA TRP A 3 -13.872 3.554 -5.968 1.00 1.69 C ATOM 23 C TRP A 3 -12.726 4.034 -5.086 1.00 1.84 C ATOM 24 O TRP A 3 -11.766 4.636 -5.565 1.00 2.71 O ATOM 25 CB TRP A 3 -14.357 4.687 -6.876 1.00 2.33 C ATOM 26 CG TRP A 3 -15.290 4.222 -7.952 1.00 2.76 C ATOM 27 CD1 TRP A 3 -16.653 4.244 -7.928 1.00 3.47 C ATOM 28 CD2 TRP A 3 -14.920 3.657 -9.210 1.00 3.17 C ATOM 29 NE1 TRP A 3 -17.152 3.729 -9.099 1.00 4.11 N ATOM 30 CE2 TRP A 3 -16.107 3.359 -9.902 1.00 3.90 C ATOM 31 CE3 TRP A 3 -13.697 3.372 -9.816 1.00 3.49 C ATOM 32 CZ2 TRP A 3 -16.105 2.793 -11.174 1.00 4.62 C ATOM 33 CZ3 TRP A 3 -13.693 2.811 -11.079 1.00 4.30 C ATOM 34 CH2 TRP A 3 -14.891 2.524 -11.746 1.00 4.74 C ATOM 0 H TRP A 3 -15.278 3.654 -4.415 1.00 1.93 H new ATOM 0 HA TRP A 3 -13.505 2.743 -6.597 1.00 1.69 H new ATOM 0 HB2 TRP A 3 -14.859 5.441 -6.269 1.00 2.33 H new ATOM 0 HB3 TRP A 3 -13.495 5.170 -7.335 1.00 2.33 H new ATOM 0 HD1 TRP A 3 -17.252 4.612 -7.108 1.00 3.47 H new ATOM 0 HE1 TRP A 3 -18.141 3.637 -9.333 1.00 4.11 H new ATOM 0 HE3 TRP A 3 -12.769 3.586 -9.307 1.00 3.49 H new ATOM 0 HZ2 TRP A 3 -17.028 2.574 -11.691 1.00 4.62 H new ATOM 0 HZ3 TRP A 3 -12.751 2.590 -11.559 1.00 4.30 H new ATOM 0 HH2 TRP A 3 -14.856 2.082 -12.731 1.00 4.74 H new ATOM 45 N GLY A 4 -12.829 3.753 -3.796 1.00 1.61 N ATOM 46 CA GLY A 4 -11.776 4.109 -2.871 1.00 2.03 C ATOM 47 C GLY A 4 -11.889 5.531 -2.360 1.00 1.82 C ATOM 48 O GLY A 4 -10.969 6.332 -2.533 1.00 1.87 O ATOM 0 H GLY A 4 -13.628 3.282 -3.372 1.00 1.61 H new ATOM 0 HA2 GLY A 4 -11.797 3.422 -2.025 1.00 2.03 H new ATOM 0 HA3 GLY A 4 -10.811 3.981 -3.362 1.00 2.03 H new ATOM 52 N GLN A 5 -13.013 5.850 -1.729 1.00 1.92 N ATOM 53 CA GLN A 5 -13.193 7.161 -1.117 1.00 1.96 C ATOM 54 C GLN A 5 -12.469 7.210 0.221 1.00 1.53 C ATOM 55 O GLN A 5 -12.864 6.539 1.177 1.00 1.64 O ATOM 56 CB GLN A 5 -14.672 7.478 -0.904 1.00 2.55 C ATOM 57 CG GLN A 5 -15.479 7.587 -2.182 1.00 3.13 C ATOM 58 CD GLN A 5 -16.925 7.951 -1.911 1.00 3.34 C ATOM 59 OE1 GLN A 5 -17.474 7.622 -0.857 1.00 3.26 O ATOM 60 NE2 GLN A 5 -17.552 8.632 -2.854 1.00 4.17 N ATOM 0 H GLN A 5 -13.810 5.222 -1.628 1.00 1.92 H new ATOM 0 HA GLN A 5 -12.776 7.907 -1.794 1.00 1.96 H new ATOM 0 HB2 GLN A 5 -15.111 6.702 -0.277 1.00 2.55 H new ATOM 0 HB3 GLN A 5 -14.755 8.416 -0.355 1.00 2.55 H new ATOM 0 HG2 GLN A 5 -15.031 8.340 -2.831 1.00 3.13 H new ATOM 0 HG3 GLN A 5 -15.438 6.639 -2.719 1.00 3.13 H new ATOM 0 HE21 GLN A 5 -17.062 8.885 -3.712 1.00 4.17 H new ATOM 0 HE22 GLN A 5 -18.526 8.905 -2.724 1.00 4.17 H new ATOM 69 N CYS A 6 -11.408 7.991 0.279 1.00 1.29 N ATOM 70 CA CYS A 6 -10.618 8.115 1.491 1.00 0.94 C ATOM 71 C CYS A 6 -10.441 9.582 1.853 1.00 0.96 C ATOM 72 O CYS A 6 -10.936 10.045 2.880 1.00 1.88 O ATOM 73 CB CYS A 6 -9.260 7.435 1.295 1.00 0.81 C ATOM 74 SG CYS A 6 -8.115 7.598 2.701 1.00 0.61 S ATOM 0 H CYS A 6 -11.071 8.552 -0.503 1.00 1.29 H new ATOM 0 HA CYS A 6 -11.138 7.622 2.312 1.00 0.94 H new ATOM 0 HB2 CYS A 6 -9.425 6.375 1.100 1.00 0.81 H new ATOM 0 HB3 CYS A 6 -8.785 7.853 0.407 1.00 0.81 H new ATOM 79 N SER A 7 -9.750 10.309 0.987 1.00 0.91 N ATOM 80 CA SER A 7 -9.520 11.732 1.180 1.00 0.99 C ATOM 81 C SER A 7 -8.855 12.337 -0.053 1.00 1.25 C ATOM 82 O SER A 7 -9.530 12.852 -0.943 1.00 1.82 O ATOM 83 CB SER A 7 -8.667 11.970 2.431 1.00 1.55 C ATOM 84 OG SER A 7 -7.576 11.062 2.480 1.00 2.40 O ATOM 0 H SER A 7 -9.335 9.931 0.135 1.00 0.91 H new ATOM 0 HA SER A 7 -10.482 12.224 1.324 1.00 0.99 H new ATOM 0 HB2 SER A 7 -8.294 12.994 2.432 1.00 1.55 H new ATOM 0 HB3 SER A 7 -9.282 11.854 3.323 1.00 1.55 H new ATOM 0 HG SER A 7 -7.909 10.160 2.669 1.00 2.40 H new ATOM 90 N THR A 8 -7.534 12.252 -0.110 1.00 1.48 N ATOM 91 CA THR A 8 -6.780 12.793 -1.228 1.00 2.09 C ATOM 92 C THR A 8 -5.957 11.708 -1.917 1.00 1.70 C ATOM 93 O THR A 8 -4.984 12.002 -2.614 1.00 2.23 O ATOM 94 CB THR A 8 -5.848 13.933 -0.768 1.00 2.93 C ATOM 95 OG1 THR A 8 -5.066 13.505 0.358 1.00 3.15 O ATOM 96 CG2 THR A 8 -6.645 15.174 -0.395 1.00 3.75 C ATOM 0 H THR A 8 -6.961 11.811 0.609 1.00 1.48 H new ATOM 0 HA THR A 8 -7.502 13.191 -1.941 1.00 2.09 H new ATOM 0 HB THR A 8 -5.186 14.184 -1.597 1.00 2.93 H new ATOM 0 HG1 THR A 8 -4.476 14.234 0.643 1.00 3.15 H new ATOM 0 HG21 THR A 8 -5.963 15.962 -0.074 1.00 3.75 H new ATOM 0 HG22 THR A 8 -7.213 15.516 -1.261 1.00 3.75 H new ATOM 0 HG23 THR A 8 -7.331 14.935 0.418 1.00 3.75 H new ATOM 104 N GLY A 9 -6.342 10.456 -1.717 1.00 0.97 N ATOM 105 CA GLY A 9 -5.575 9.357 -2.269 1.00 0.72 C ATOM 106 C GLY A 9 -6.447 8.258 -2.836 1.00 0.71 C ATOM 107 O GLY A 9 -7.385 8.522 -3.589 1.00 1.12 O ATOM 0 H GLY A 9 -7.168 10.182 -1.185 1.00 0.97 H new ATOM 0 HA2 GLY A 9 -4.920 9.736 -3.054 1.00 0.72 H new ATOM 0 HA3 GLY A 9 -4.934 8.941 -1.492 1.00 0.72 H new ATOM 111 N SER A 10 -6.142 7.029 -2.470 1.00 0.38 N ATOM 112 CA SER A 10 -6.862 5.870 -2.965 1.00 0.39 C ATOM 113 C SER A 10 -6.930 4.810 -1.874 1.00 0.28 C ATOM 114 O SER A 10 -6.082 4.781 -0.983 1.00 0.29 O ATOM 115 CB SER A 10 -6.163 5.314 -4.211 1.00 0.52 C ATOM 116 OG SER A 10 -6.877 4.225 -4.772 1.00 0.96 O ATOM 0 H SER A 10 -5.388 6.804 -1.821 1.00 0.38 H new ATOM 0 HA SER A 10 -7.876 6.161 -3.239 1.00 0.39 H new ATOM 0 HB2 SER A 10 -6.062 6.105 -4.955 1.00 0.52 H new ATOM 0 HB3 SER A 10 -5.155 4.992 -3.949 1.00 0.52 H new ATOM 0 HG SER A 10 -6.403 3.897 -5.565 1.00 0.96 H new ATOM 122 N ILE A 11 -7.962 3.982 -1.906 1.00 0.32 N ATOM 123 CA ILE A 11 -8.063 2.881 -0.965 1.00 0.27 C ATOM 124 C ILE A 11 -7.759 1.561 -1.640 1.00 0.20 C ATOM 125 O ILE A 11 -8.294 1.239 -2.704 1.00 0.26 O ATOM 126 CB ILE A 11 -9.443 2.806 -0.294 1.00 0.39 C ATOM 127 CG1 ILE A 11 -9.671 4.064 0.524 1.00 0.50 C ATOM 128 CG2 ILE A 11 -9.558 1.567 0.587 1.00 0.40 C ATOM 129 CD1 ILE A 11 -10.912 4.012 1.381 1.00 0.96 C ATOM 0 H ILE A 11 -8.735 4.051 -2.568 1.00 0.32 H new ATOM 0 HA ILE A 11 -7.322 3.073 -0.189 1.00 0.27 H new ATOM 0 HB ILE A 11 -10.208 2.732 -1.067 1.00 0.39 H new ATOM 0 HG12 ILE A 11 -8.805 4.233 1.164 1.00 0.50 H new ATOM 0 HG13 ILE A 11 -9.741 4.918 -0.150 1.00 0.50 H new ATOM 0 HG21 ILE A 11 -10.545 1.540 1.049 1.00 0.40 H new ATOM 0 HG22 ILE A 11 -9.417 0.674 -0.021 1.00 0.40 H new ATOM 0 HG23 ILE A 11 -8.794 1.601 1.364 1.00 0.40 H new ATOM 0 HD11 ILE A 11 -11.010 4.945 1.937 1.00 0.96 H new ATOM 0 HD12 ILE A 11 -11.787 3.874 0.746 1.00 0.96 H new ATOM 0 HD13 ILE A 11 -10.837 3.179 2.080 1.00 0.96 H new ATOM 141 N GLN A 12 -6.904 0.800 -0.998 1.00 0.13 N ATOM 142 CA GLN A 12 -6.506 -0.499 -1.504 1.00 0.10 C ATOM 143 C GLN A 12 -6.360 -1.502 -0.371 1.00 0.11 C ATOM 144 O GLN A 12 -6.297 -1.136 0.802 1.00 0.17 O ATOM 145 CB GLN A 12 -5.206 -0.439 -2.324 1.00 0.12 C ATOM 146 CG GLN A 12 -4.237 0.678 -1.952 1.00 0.22 C ATOM 147 CD GLN A 12 -4.508 1.981 -2.689 1.00 0.39 C ATOM 148 OE1 GLN A 12 -4.282 3.062 -2.152 1.00 0.91 O ATOM 149 NE2 GLN A 12 -4.946 1.893 -3.940 1.00 0.35 N ATOM 0 H GLN A 12 -6.465 1.059 -0.115 1.00 0.13 H new ATOM 0 HA GLN A 12 -7.301 -0.827 -2.173 1.00 0.10 H new ATOM 0 HB2 GLN A 12 -4.689 -1.393 -2.220 1.00 0.12 H new ATOM 0 HB3 GLN A 12 -5.467 -0.332 -3.377 1.00 0.12 H new ATOM 0 HG2 GLN A 12 -4.295 0.857 -0.878 1.00 0.22 H new ATOM 0 HG3 GLN A 12 -3.219 0.353 -2.166 1.00 0.22 H new ATOM 0 HE21 GLN A 12 -5.124 0.978 -4.355 1.00 0.35 H new ATOM 0 HE22 GLN A 12 -5.105 2.740 -4.486 1.00 0.35 H new ATOM 158 N CYS A 13 -6.345 -2.769 -0.738 1.00 0.12 N ATOM 159 CA CYS A 13 -6.181 -3.850 0.208 1.00 0.16 C ATOM 160 C CYS A 13 -4.794 -4.454 0.054 1.00 0.13 C ATOM 161 O CYS A 13 -4.537 -5.218 -0.876 1.00 0.15 O ATOM 162 CB CYS A 13 -7.261 -4.913 -0.013 1.00 0.25 C ATOM 163 SG CYS A 13 -7.132 -6.341 1.113 1.00 0.34 S ATOM 0 H CYS A 13 -6.447 -3.076 -1.705 1.00 0.12 H new ATOM 0 HA CYS A 13 -6.286 -3.463 1.222 1.00 0.16 H new ATOM 0 HB2 CYS A 13 -8.241 -4.452 0.111 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -7.203 -5.268 -1.042 1.00 0.25 H new ATOM 168 N CYS A 14 -3.898 -4.092 0.955 1.00 0.12 N ATOM 169 CA CYS A 14 -2.514 -4.525 0.872 1.00 0.12 C ATOM 170 C CYS A 14 -2.323 -5.880 1.517 1.00 0.15 C ATOM 171 O CYS A 14 -2.749 -6.113 2.647 1.00 0.19 O ATOM 172 CB CYS A 14 -1.587 -3.513 1.536 1.00 0.14 C ATOM 173 SG CYS A 14 -1.321 -1.977 0.588 1.00 0.13 S ATOM 0 H CYS A 14 -4.105 -3.496 1.757 1.00 0.12 H new ATOM 0 HA CYS A 14 -2.262 -4.601 -0.186 1.00 0.12 H new ATOM 0 HB2 CYS A 14 -1.996 -3.254 2.513 1.00 0.14 H new ATOM 0 HB3 CYS A 14 -0.621 -3.987 1.711 1.00 0.14 H new ATOM 178 N GLN A 15 -1.683 -6.769 0.778 1.00 0.15 N ATOM 179 CA GLN A 15 -1.369 -8.091 1.268 1.00 0.16 C ATOM 180 C GLN A 15 -0.201 -8.011 2.249 1.00 0.18 C ATOM 181 O GLN A 15 -0.110 -8.794 3.194 1.00 0.23 O ATOM 182 CB GLN A 15 -1.091 -9.024 0.068 1.00 0.17 C ATOM 183 CG GLN A 15 0.311 -9.623 -0.017 1.00 0.23 C ATOM 184 CD GLN A 15 0.547 -10.747 0.981 1.00 0.31 C ATOM 185 OE1 GLN A 15 -0.501 -11.499 1.294 1.00 0.38 O flip ATOM 186 NE2 GLN A 15 1.666 -10.947 1.453 1.00 0.33 N flip ATOM 0 H GLN A 15 -1.369 -6.591 -0.176 1.00 0.15 H new ATOM 0 HA GLN A 15 -2.211 -8.512 1.817 1.00 0.16 H new ATOM 0 HB2 GLN A 15 -1.811 -9.842 0.098 1.00 0.17 H new ATOM 0 HB3 GLN A 15 -1.280 -8.466 -0.849 1.00 0.17 H new ATOM 0 HG2 GLN A 15 0.476 -10.002 -1.026 1.00 0.23 H new ATOM 0 HG3 GLN A 15 1.046 -8.836 0.152 1.00 0.23 H new ATOM 0 HE21 GLN A 15 2.446 -10.346 1.187 1.00 0.33 H new ATOM 0 HE22 GLN A 15 1.813 -11.713 2.110 1.00 0.33 H new ATOM 195 N ASN A 16 0.670 -7.035 2.032 1.00 0.17 N ATOM 196 CA ASN A 16 1.819 -6.820 2.896 1.00 0.21 C ATOM 197 C ASN A 16 1.971 -5.336 3.205 1.00 0.21 C ATOM 198 O ASN A 16 2.315 -4.546 2.329 1.00 0.40 O ATOM 199 CB ASN A 16 3.084 -7.316 2.213 1.00 0.29 C ATOM 200 CG ASN A 16 4.043 -8.003 3.160 1.00 0.62 C ATOM 201 OD1 ASN A 16 4.111 -7.681 4.346 1.00 1.03 O ATOM 202 ND2 ASN A 16 4.793 -8.958 2.635 1.00 0.75 N ATOM 0 H ASN A 16 0.600 -6.375 1.257 1.00 0.17 H new ATOM 0 HA ASN A 16 1.663 -7.372 3.823 1.00 0.21 H new ATOM 0 HB2 ASN A 16 2.811 -8.009 1.417 1.00 0.29 H new ATOM 0 HB3 ASN A 16 3.590 -6.473 1.743 1.00 0.29 H new ATOM 0 HD21 ASN A 16 5.461 -9.461 3.219 1.00 0.75 H new ATOM 0 HD22 ASN A 16 4.703 -9.192 1.646 1.00 0.75 H new ATOM 209 N VAL A 17 1.709 -4.962 4.441 1.00 0.16 N ATOM 210 CA VAL A 17 1.815 -3.567 4.859 1.00 0.13 C ATOM 211 C VAL A 17 3.061 -3.375 5.709 1.00 0.14 C ATOM 212 O VAL A 17 3.101 -3.772 6.878 1.00 0.18 O ATOM 213 CB VAL A 17 0.572 -3.095 5.647 1.00 0.14 C ATOM 214 CG1 VAL A 17 0.694 -1.625 6.022 1.00 0.17 C ATOM 215 CG2 VAL A 17 -0.688 -3.332 4.837 1.00 0.14 C ATOM 0 H VAL A 17 1.420 -5.602 5.180 1.00 0.16 H new ATOM 0 HA VAL A 17 1.881 -2.962 3.955 1.00 0.13 H new ATOM 0 HB VAL A 17 0.510 -3.676 6.567 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.193 -1.316 6.576 1.00 0.17 H new ATOM 0 HG12 VAL A 17 1.578 -1.480 6.643 1.00 0.17 H new ATOM 0 HG13 VAL A 17 0.784 -1.025 5.117 1.00 0.17 H new ATOM 0 HG21 VAL A 17 -1.555 -2.995 5.405 1.00 0.14 H new ATOM 0 HG22 VAL A 17 -0.629 -2.776 3.901 1.00 0.14 H new ATOM 0 HG23 VAL A 17 -0.787 -4.396 4.622 1.00 0.14 H new ATOM 225 N VAL A 18 4.079 -2.775 5.117 1.00 0.12 N ATOM 226 CA VAL A 18 5.375 -2.648 5.764 1.00 0.13 C ATOM 227 C VAL A 18 5.947 -1.244 5.583 1.00 0.12 C ATOM 228 O VAL A 18 5.708 -0.592 4.568 1.00 0.12 O ATOM 229 CB VAL A 18 6.376 -3.672 5.184 1.00 0.13 C ATOM 230 CG1 VAL A 18 5.959 -5.093 5.532 1.00 0.18 C ATOM 231 CG2 VAL A 18 6.496 -3.510 3.674 1.00 0.13 C ATOM 0 H VAL A 18 4.033 -2.366 4.184 1.00 0.12 H new ATOM 0 HA VAL A 18 5.226 -2.840 6.827 1.00 0.13 H new ATOM 0 HB VAL A 18 7.351 -3.481 5.632 1.00 0.13 H new ATOM 0 HG11 VAL A 18 6.679 -5.796 5.113 1.00 0.18 H new ATOM 0 HG12 VAL A 18 5.928 -5.208 6.615 1.00 0.18 H new ATOM 0 HG13 VAL A 18 4.971 -5.294 5.117 1.00 0.18 H new ATOM 0 HG21 VAL A 18 7.206 -4.240 3.285 1.00 0.13 H new ATOM 0 HG22 VAL A 18 5.522 -3.669 3.212 1.00 0.13 H new ATOM 0 HG23 VAL A 18 6.847 -2.504 3.443 1.00 0.13 H new ATOM 241 N PRO A 19 6.684 -0.744 6.585 1.00 0.14 N ATOM 242 CA PRO A 19 7.446 0.497 6.447 1.00 0.15 C ATOM 243 C PRO A 19 8.512 0.366 5.365 1.00 0.12 C ATOM 244 O PRO A 19 9.176 -0.665 5.256 1.00 0.10 O ATOM 245 CB PRO A 19 8.091 0.697 7.822 1.00 0.17 C ATOM 246 CG PRO A 19 7.312 -0.170 8.753 1.00 0.19 C ATOM 247 CD PRO A 19 6.808 -1.323 7.932 1.00 0.17 C ATOM 0 HA PRO A 19 6.819 1.338 6.152 1.00 0.15 H new ATOM 0 HB2 PRO A 19 9.143 0.413 7.808 1.00 0.17 H new ATOM 0 HB3 PRO A 19 8.047 1.742 8.129 1.00 0.17 H new ATOM 0 HG2 PRO A 19 7.938 -0.521 9.573 1.00 0.19 H new ATOM 0 HG3 PRO A 19 6.484 0.382 9.198 1.00 0.19 H new ATOM 0 HD2 PRO A 19 7.503 -2.163 7.947 1.00 0.17 H new ATOM 0 HD3 PRO A 19 5.852 -1.693 8.301 1.00 0.17 H new ATOM 255 N GLY A 20 8.656 1.408 4.557 1.00 0.14 N ATOM 256 CA GLY A 20 9.614 1.382 3.467 1.00 0.13 C ATOM 257 C GLY A 20 11.044 1.255 3.953 1.00 0.14 C ATOM 258 O GLY A 20 11.890 0.686 3.267 1.00 0.18 O ATOM 0 H GLY A 20 8.124 2.275 4.637 1.00 0.14 H new ATOM 0 HA2 GLY A 20 9.383 0.547 2.805 1.00 0.13 H new ATOM 0 HA3 GLY A 20 9.514 2.293 2.878 1.00 0.13 H new ATOM 262 N ASP A 21 11.311 1.785 5.139 1.00 0.17 N ATOM 263 CA ASP A 21 12.634 1.690 5.743 1.00 0.21 C ATOM 264 C ASP A 21 12.685 0.523 6.722 1.00 0.19 C ATOM 265 O ASP A 21 13.643 0.371 7.481 1.00 0.23 O ATOM 266 CB ASP A 21 13.000 2.996 6.458 1.00 0.31 C ATOM 267 CG ASP A 21 12.175 3.237 7.709 1.00 1.23 C ATOM 268 OD1 ASP A 21 12.774 3.415 8.795 1.00 1.22 O ATOM 269 OD2 ASP A 21 10.932 3.250 7.615 1.00 2.27 O ATOM 0 H ASP A 21 10.626 2.287 5.704 1.00 0.17 H new ATOM 0 HA ASP A 21 13.361 1.517 4.949 1.00 0.21 H new ATOM 0 HB2 ASP A 21 14.057 2.974 6.725 1.00 0.31 H new ATOM 0 HB3 ASP A 21 12.862 3.831 5.771 1.00 0.31 H new ATOM 274 N SER A 22 11.650 -0.302 6.696 1.00 0.16 N ATOM 275 CA SER A 22 11.626 -1.516 7.489 1.00 0.17 C ATOM 276 C SER A 22 12.480 -2.572 6.822 1.00 0.16 C ATOM 277 O SER A 22 12.668 -2.529 5.610 1.00 0.14 O ATOM 278 CB SER A 22 10.197 -2.043 7.641 1.00 0.18 C ATOM 279 OG SER A 22 10.172 -3.326 8.244 1.00 0.24 O ATOM 0 H SER A 22 10.814 -0.150 6.132 1.00 0.16 H new ATOM 0 HA SER A 22 12.019 -1.287 8.480 1.00 0.17 H new ATOM 0 HB2 SER A 22 9.615 -1.346 8.244 1.00 0.18 H new ATOM 0 HB3 SER A 22 9.721 -2.092 6.662 1.00 0.18 H new ATOM 0 HG SER A 22 9.244 -3.630 8.327 1.00 0.24 H new ATOM 285 N ASP A 23 12.984 -3.512 7.600 1.00 0.20 N ATOM 286 CA ASP A 23 13.763 -4.615 7.047 1.00 0.22 C ATOM 287 C ASP A 23 13.007 -5.239 5.886 1.00 0.20 C ATOM 288 O ASP A 23 13.561 -5.457 4.806 1.00 0.22 O ATOM 289 CB ASP A 23 14.023 -5.678 8.115 1.00 0.29 C ATOM 290 CG ASP A 23 14.901 -5.179 9.244 1.00 0.59 C ATOM 291 OD1 ASP A 23 14.385 -4.463 10.130 1.00 1.06 O ATOM 292 OD2 ASP A 23 16.106 -5.510 9.266 1.00 0.61 O ATOM 0 H ASP A 23 12.871 -3.538 8.613 1.00 0.20 H new ATOM 0 HA ASP A 23 14.720 -4.226 6.699 1.00 0.22 H new ATOM 0 HB2 ASP A 23 13.071 -6.015 8.524 1.00 0.29 H new ATOM 0 HB3 ASP A 23 14.495 -6.544 7.651 1.00 0.29 H new ATOM 297 N LEU A 24 11.723 -5.469 6.115 1.00 0.20 N ATOM 298 CA LEU A 24 10.845 -6.038 5.106 1.00 0.21 C ATOM 299 C LEU A 24 10.708 -5.102 3.915 1.00 0.17 C ATOM 300 O LEU A 24 11.149 -5.423 2.815 1.00 0.18 O ATOM 301 CB LEU A 24 9.468 -6.316 5.709 1.00 0.26 C ATOM 302 CG LEU A 24 9.125 -7.791 5.907 1.00 0.35 C ATOM 303 CD1 LEU A 24 8.983 -8.489 4.563 1.00 1.03 C ATOM 304 CD2 LEU A 24 10.181 -8.474 6.759 1.00 1.11 C ATOM 0 H LEU A 24 11.262 -5.267 7.002 1.00 0.20 H new ATOM 0 HA LEU A 24 11.284 -6.974 4.759 1.00 0.21 H new ATOM 0 HB2 LEU A 24 9.404 -5.813 6.674 1.00 0.26 H new ATOM 0 HB3 LEU A 24 8.711 -5.868 5.065 1.00 0.26 H new ATOM 0 HG LEU A 24 8.171 -7.857 6.429 1.00 0.35 H new ATOM 0 HD11 LEU A 24 8.739 -9.539 4.722 1.00 1.03 H new ATOM 0 HD12 LEU A 24 8.187 -8.014 3.989 1.00 1.03 H new ATOM 0 HD13 LEU A 24 9.921 -8.414 4.013 1.00 1.03 H new ATOM 0 HD21 LEU A 24 9.920 -9.524 6.889 1.00 1.11 H new ATOM 0 HD22 LEU A 24 11.150 -8.400 6.266 1.00 1.11 H new ATOM 0 HD23 LEU A 24 10.232 -7.989 7.734 1.00 1.11 H new ATOM 316 N GLY A 25 10.123 -3.931 4.158 1.00 0.14 N ATOM 317 CA GLY A 25 9.837 -2.990 3.087 1.00 0.12 C ATOM 318 C GLY A 25 11.055 -2.631 2.264 1.00 0.12 C ATOM 319 O GLY A 25 10.968 -2.496 1.044 1.00 0.16 O ATOM 0 H GLY A 25 9.840 -3.615 5.086 1.00 0.14 H new ATOM 0 HA2 GLY A 25 9.077 -3.416 2.432 1.00 0.12 H new ATOM 0 HA3 GLY A 25 9.415 -2.080 3.515 1.00 0.12 H new ATOM 323 N THR A 26 12.195 -2.505 2.924 1.00 0.13 N ATOM 324 CA THR A 26 13.424 -2.114 2.256 1.00 0.16 C ATOM 325 C THR A 26 13.914 -3.226 1.338 1.00 0.20 C ATOM 326 O THR A 26 14.358 -2.972 0.221 1.00 0.24 O ATOM 327 CB THR A 26 14.516 -1.742 3.281 1.00 0.18 C ATOM 328 OG1 THR A 26 14.048 -0.679 4.122 1.00 0.20 O ATOM 329 CG2 THR A 26 15.797 -1.299 2.600 1.00 0.23 C ATOM 0 H THR A 26 12.294 -2.669 3.926 1.00 0.13 H new ATOM 0 HA THR A 26 13.211 -1.233 1.650 1.00 0.16 H new ATOM 0 HB THR A 26 14.729 -2.632 3.873 1.00 0.18 H new ATOM 0 HG1 THR A 26 13.337 -0.186 3.661 1.00 0.20 H new ATOM 0 HG21 THR A 26 16.541 -1.046 3.355 1.00 0.23 H new ATOM 0 HG22 THR A 26 16.175 -2.108 1.975 1.00 0.23 H new ATOM 0 HG23 THR A 26 15.596 -0.425 1.981 1.00 0.23 H new ATOM 337 N LEU A 27 13.794 -4.463 1.801 1.00 0.21 N ATOM 338 CA LEU A 27 14.166 -5.617 0.996 1.00 0.28 C ATOM 339 C LEU A 27 13.223 -5.716 -0.195 1.00 0.29 C ATOM 340 O LEU A 27 13.638 -6.002 -1.322 1.00 0.34 O ATOM 341 CB LEU A 27 14.082 -6.889 1.849 1.00 0.33 C ATOM 342 CG LEU A 27 14.935 -8.085 1.388 1.00 0.57 C ATOM 343 CD1 LEU A 27 14.399 -8.684 0.098 1.00 1.01 C ATOM 344 CD2 LEU A 27 16.390 -7.675 1.216 1.00 1.00 C ATOM 0 H LEU A 27 13.442 -4.692 2.730 1.00 0.21 H new ATOM 0 HA LEU A 27 15.189 -5.505 0.636 1.00 0.28 H new ATOM 0 HB2 LEU A 27 14.373 -6.636 2.868 1.00 0.33 H new ATOM 0 HB3 LEU A 27 13.040 -7.207 1.885 1.00 0.33 H new ATOM 0 HG LEU A 27 14.877 -8.849 2.164 1.00 0.57 H new ATOM 0 HD11 LEU A 27 15.024 -9.526 -0.199 1.00 1.01 H new ATOM 0 HD12 LEU A 27 13.377 -9.028 0.254 1.00 1.01 H new ATOM 0 HD13 LEU A 27 14.411 -7.928 -0.687 1.00 1.01 H new ATOM 0 HD21 LEU A 27 16.974 -8.535 0.890 1.00 1.00 H new ATOM 0 HD22 LEU A 27 16.459 -6.885 0.468 1.00 1.00 H new ATOM 0 HD23 LEU A 27 16.780 -7.311 2.166 1.00 1.00 H new ATOM 356 N LEU A 28 11.955 -5.439 0.074 1.00 0.27 N ATOM 357 CA LEU A 28 10.912 -5.544 -0.936 1.00 0.31 C ATOM 358 C LEU A 28 11.135 -4.536 -2.054 1.00 0.32 C ATOM 359 O LEU A 28 11.200 -4.900 -3.227 1.00 0.37 O ATOM 360 CB LEU A 28 9.525 -5.318 -0.323 1.00 0.31 C ATOM 361 CG LEU A 28 9.151 -6.231 0.848 1.00 0.31 C ATOM 362 CD1 LEU A 28 7.665 -6.132 1.142 1.00 0.34 C ATOM 363 CD2 LEU A 28 9.551 -7.671 0.572 1.00 0.37 C ATOM 0 H LEU A 28 11.622 -5.138 0.990 1.00 0.27 H new ATOM 0 HA LEU A 28 10.960 -6.553 -1.347 1.00 0.31 H new ATOM 0 HB2 LEU A 28 9.463 -4.284 0.015 1.00 0.31 H new ATOM 0 HB3 LEU A 28 8.778 -5.442 -1.107 1.00 0.31 H new ATOM 0 HG LEU A 28 9.702 -5.897 1.727 1.00 0.31 H new ATOM 0 HD11 LEU A 28 7.415 -6.787 1.977 1.00 0.34 H new ATOM 0 HD12 LEU A 28 7.413 -5.103 1.399 1.00 0.34 H new ATOM 0 HD13 LEU A 28 7.099 -6.435 0.261 1.00 0.34 H new ATOM 0 HD21 LEU A 28 9.273 -8.295 1.421 1.00 0.37 H new ATOM 0 HD22 LEU A 28 9.039 -8.026 -0.322 1.00 0.37 H new ATOM 0 HD23 LEU A 28 10.629 -7.726 0.419 1.00 0.37 H new ATOM 375 N LEU A 29 11.281 -3.269 -1.687 1.00 0.30 N ATOM 376 CA LEU A 29 11.401 -2.213 -2.678 1.00 0.32 C ATOM 377 C LEU A 29 12.748 -2.267 -3.383 1.00 0.36 C ATOM 378 O LEU A 29 12.894 -1.767 -4.497 1.00 0.41 O ATOM 379 CB LEU A 29 11.142 -0.834 -2.047 1.00 0.30 C ATOM 380 CG LEU A 29 12.082 -0.375 -0.919 1.00 0.29 C ATOM 381 CD1 LEU A 29 13.447 0.046 -1.449 1.00 0.31 C ATOM 382 CD2 LEU A 29 11.447 0.779 -0.167 1.00 0.31 C ATOM 0 H LEU A 29 11.319 -2.952 -0.718 1.00 0.30 H new ATOM 0 HA LEU A 29 10.635 -2.375 -3.437 1.00 0.32 H new ATOM 0 HB2 LEU A 29 11.183 -0.089 -2.841 1.00 0.30 H new ATOM 0 HB3 LEU A 29 10.124 -0.829 -1.658 1.00 0.30 H new ATOM 0 HG LEU A 29 12.235 -1.221 -0.249 1.00 0.29 H new ATOM 0 HD11 LEU A 29 14.078 0.362 -0.618 1.00 0.31 H new ATOM 0 HD12 LEU A 29 13.915 -0.796 -1.960 1.00 0.31 H new ATOM 0 HD13 LEU A 29 13.326 0.873 -2.149 1.00 0.31 H new ATOM 0 HD21 LEU A 29 12.114 1.103 0.632 1.00 0.31 H new ATOM 0 HD22 LEU A 29 11.272 1.608 -0.853 1.00 0.31 H new ATOM 0 HD23 LEU A 29 10.498 0.456 0.261 1.00 0.31 H new ATOM 394 N ASP A 30 13.723 -2.876 -2.729 1.00 0.34 N ATOM 395 CA ASP A 30 15.031 -3.095 -3.331 1.00 0.39 C ATOM 396 C ASP A 30 14.900 -4.015 -4.533 1.00 0.43 C ATOM 397 O ASP A 30 15.546 -3.823 -5.564 1.00 0.49 O ATOM 398 CB ASP A 30 15.979 -3.718 -2.309 1.00 0.41 C ATOM 399 CG ASP A 30 17.366 -3.946 -2.866 1.00 0.54 C ATOM 400 OD1 ASP A 30 17.639 -5.058 -3.364 1.00 0.66 O ATOM 401 OD2 ASP A 30 18.189 -3.009 -2.811 1.00 0.63 O ATOM 0 H ASP A 30 13.634 -3.230 -1.776 1.00 0.34 H new ATOM 0 HA ASP A 30 15.435 -2.136 -3.655 1.00 0.39 H new ATOM 0 HB2 ASP A 30 16.044 -3.068 -1.436 1.00 0.41 H new ATOM 0 HB3 ASP A 30 15.567 -4.668 -1.969 1.00 0.41 H new ATOM 406 N GLU A 31 14.027 -4.998 -4.395 1.00 0.43 N ATOM 407 CA GLU A 31 13.801 -5.981 -5.435 1.00 0.49 C ATOM 408 C GLU A 31 12.958 -5.369 -6.542 1.00 0.51 C ATOM 409 O GLU A 31 13.072 -5.730 -7.712 1.00 0.62 O ATOM 410 CB GLU A 31 13.080 -7.189 -4.846 1.00 0.52 C ATOM 411 CG GLU A 31 13.474 -8.488 -5.506 1.00 0.97 C ATOM 412 CD GLU A 31 12.640 -9.661 -5.041 1.00 1.46 C ATOM 413 OE1 GLU A 31 11.688 -10.040 -5.760 1.00 1.76 O ATOM 414 OE2 GLU A 31 12.922 -10.211 -3.958 1.00 2.07 O ATOM 0 H GLU A 31 13.457 -5.135 -3.560 1.00 0.43 H new ATOM 0 HA GLU A 31 14.758 -6.299 -5.848 1.00 0.49 H new ATOM 0 HB2 GLU A 31 13.295 -7.250 -3.779 1.00 0.52 H new ATOM 0 HB3 GLU A 31 12.004 -7.048 -4.947 1.00 0.52 H new ATOM 0 HG2 GLU A 31 13.376 -8.385 -6.587 1.00 0.97 H new ATOM 0 HG3 GLU A 31 14.525 -8.691 -5.299 1.00 0.97 H new ATOM 421 N LEU A 32 12.123 -4.427 -6.145 1.00 0.52 N ATOM 422 CA LEU A 32 11.207 -3.761 -7.055 1.00 0.58 C ATOM 423 C LEU A 32 11.876 -2.580 -7.756 1.00 0.61 C ATOM 424 O LEU A 32 11.336 -2.022 -8.710 1.00 0.71 O ATOM 425 CB LEU A 32 9.986 -3.292 -6.270 1.00 0.56 C ATOM 426 CG LEU A 32 9.066 -4.410 -5.779 1.00 0.57 C ATOM 427 CD1 LEU A 32 8.056 -3.863 -4.788 1.00 0.57 C ATOM 428 CD2 LEU A 32 8.353 -5.070 -6.949 1.00 0.64 C ATOM 0 H LEU A 32 12.060 -4.101 -5.181 1.00 0.52 H new ATOM 0 HA LEU A 32 10.903 -4.466 -7.828 1.00 0.58 H new ATOM 0 HB2 LEU A 32 10.325 -2.716 -5.409 1.00 0.56 H new ATOM 0 HB3 LEU A 32 9.407 -2.615 -6.898 1.00 0.56 H new ATOM 0 HG LEU A 32 9.676 -5.163 -5.279 1.00 0.57 H new ATOM 0 HD11 LEU A 32 7.407 -4.670 -4.447 1.00 0.57 H new ATOM 0 HD12 LEU A 32 8.580 -3.433 -3.934 1.00 0.57 H new ATOM 0 HD13 LEU A 32 7.454 -3.093 -5.270 1.00 0.57 H new ATOM 0 HD21 LEU A 32 7.703 -5.863 -6.579 1.00 0.64 H new ATOM 0 HD22 LEU A 32 7.755 -4.327 -7.476 1.00 0.64 H new ATOM 0 HD23 LEU A 32 9.089 -5.494 -7.632 1.00 0.64 H new ATOM 440 N GLY A 33 13.050 -2.201 -7.263 1.00 0.57 N ATOM 441 CA GLY A 33 13.811 -1.129 -7.875 1.00 0.62 C ATOM 442 C GLY A 33 13.254 0.244 -7.552 1.00 0.63 C ATOM 443 O GLY A 33 13.347 1.163 -8.363 1.00 0.75 O ATOM 0 H GLY A 33 13.490 -2.621 -6.444 1.00 0.57 H new ATOM 0 HA2 GLY A 33 14.846 -1.185 -7.537 1.00 0.62 H new ATOM 0 HA3 GLY A 33 13.821 -1.267 -8.956 1.00 0.62 H new ATOM 447 N ILE A 34 12.684 0.389 -6.365 1.00 0.54 N ATOM 448 CA ILE A 34 12.071 1.650 -5.969 1.00 0.58 C ATOM 449 C ILE A 34 13.062 2.503 -5.191 1.00 0.65 C ATOM 450 O ILE A 34 13.853 1.985 -4.403 1.00 0.68 O ATOM 451 CB ILE A 34 10.820 1.430 -5.091 1.00 0.51 C ATOM 452 CG1 ILE A 34 9.964 0.293 -5.650 1.00 0.55 C ATOM 453 CG2 ILE A 34 10.001 2.713 -5.010 1.00 0.58 C ATOM 454 CD1 ILE A 34 8.811 -0.092 -4.751 1.00 0.56 C ATOM 0 H ILE A 34 12.633 -0.347 -5.661 1.00 0.54 H new ATOM 0 HA ILE A 34 11.774 2.158 -6.886 1.00 0.58 H new ATOM 0 HB ILE A 34 11.147 1.156 -4.088 1.00 0.51 H new ATOM 0 HG12 ILE A 34 9.572 0.588 -6.623 1.00 0.55 H new ATOM 0 HG13 ILE A 34 10.595 -0.581 -5.812 1.00 0.55 H new ATOM 0 HG21 ILE A 34 9.122 2.545 -4.388 1.00 0.58 H new ATOM 0 HG22 ILE A 34 10.608 3.505 -4.573 1.00 0.58 H new ATOM 0 HG23 ILE A 34 9.686 3.008 -6.011 1.00 0.58 H new ATOM 0 HD11 ILE A 34 8.247 -0.904 -5.210 1.00 0.56 H new ATOM 0 HD12 ILE A 34 9.196 -0.418 -3.785 1.00 0.56 H new ATOM 0 HD13 ILE A 34 8.157 0.769 -4.609 1.00 0.56 H new ATOM 466 N VAL A 35 13.024 3.802 -5.432 1.00 0.77 N ATOM 467 CA VAL A 35 13.823 4.745 -4.676 1.00 0.89 C ATOM 468 C VAL A 35 12.937 5.868 -4.134 1.00 0.74 C ATOM 469 O VAL A 35 12.511 6.763 -4.867 1.00 0.90 O ATOM 470 CB VAL A 35 14.983 5.309 -5.530 1.00 1.24 C ATOM 471 CG1 VAL A 35 14.480 5.879 -6.850 1.00 1.84 C ATOM 472 CG2 VAL A 35 15.766 6.356 -4.751 1.00 1.87 C ATOM 0 H VAL A 35 12.442 4.229 -6.153 1.00 0.77 H new ATOM 0 HA VAL A 35 14.270 4.220 -3.832 1.00 0.89 H new ATOM 0 HB VAL A 35 15.653 4.482 -5.764 1.00 1.24 H new ATOM 0 HG11 VAL A 35 15.322 6.266 -7.424 1.00 1.84 H new ATOM 0 HG12 VAL A 35 13.983 5.094 -7.420 1.00 1.84 H new ATOM 0 HG13 VAL A 35 13.774 6.686 -6.653 1.00 1.84 H new ATOM 0 HG21 VAL A 35 16.577 6.739 -5.370 1.00 1.87 H new ATOM 0 HG22 VAL A 35 15.102 7.175 -4.474 1.00 1.87 H new ATOM 0 HG23 VAL A 35 16.180 5.904 -3.850 1.00 1.87 H new ATOM 482 N LEU A 36 12.626 5.790 -2.853 1.00 0.70 N ATOM 483 CA LEU A 36 11.765 6.768 -2.209 1.00 0.66 C ATOM 484 C LEU A 36 12.594 7.857 -1.551 1.00 0.68 C ATOM 485 O LEU A 36 13.684 7.601 -1.039 1.00 0.84 O ATOM 486 CB LEU A 36 10.910 6.067 -1.159 1.00 0.86 C ATOM 487 CG LEU A 36 10.068 4.912 -1.688 1.00 1.90 C ATOM 488 CD1 LEU A 36 9.710 3.969 -0.560 1.00 2.62 C ATOM 489 CD2 LEU A 36 8.817 5.440 -2.364 1.00 2.76 C ATOM 0 H LEU A 36 12.960 5.053 -2.232 1.00 0.70 H new ATOM 0 HA LEU A 36 11.125 7.229 -2.961 1.00 0.66 H new ATOM 0 HB2 LEU A 36 11.563 5.691 -0.371 1.00 0.86 H new ATOM 0 HB3 LEU A 36 10.247 6.801 -0.701 1.00 0.86 H new ATOM 0 HG LEU A 36 10.649 4.361 -2.427 1.00 1.90 H new ATOM 0 HD11 LEU A 36 9.108 3.148 -0.949 1.00 2.62 H new ATOM 0 HD12 LEU A 36 10.622 3.571 -0.115 1.00 2.62 H new ATOM 0 HD13 LEU A 36 9.141 4.508 0.198 1.00 2.62 H new ATOM 0 HD21 LEU A 36 8.225 4.604 -2.737 1.00 2.76 H new ATOM 0 HD22 LEU A 36 8.228 6.010 -1.645 1.00 2.76 H new ATOM 0 HD23 LEU A 36 9.098 6.086 -3.196 1.00 2.76 H new ATOM 501 N GLU A 37 12.068 9.073 -1.564 1.00 0.72 N ATOM 502 CA GLU A 37 12.739 10.203 -0.941 1.00 0.84 C ATOM 503 C GLU A 37 12.576 10.133 0.570 1.00 0.76 C ATOM 504 O GLU A 37 13.415 10.621 1.326 1.00 0.88 O ATOM 505 CB GLU A 37 12.176 11.518 -1.477 1.00 1.02 C ATOM 506 CG GLU A 37 12.389 11.704 -2.970 1.00 1.42 C ATOM 507 CD GLU A 37 11.817 13.008 -3.479 1.00 2.06 C ATOM 508 OE1 GLU A 37 10.596 13.066 -3.745 1.00 2.65 O ATOM 509 OE2 GLU A 37 12.584 13.980 -3.624 1.00 2.58 O ATOM 0 H GLU A 37 11.175 9.302 -2.001 1.00 0.72 H new ATOM 0 HA GLU A 37 13.801 10.160 -1.183 1.00 0.84 H new ATOM 0 HB2 GLU A 37 11.108 11.562 -1.262 1.00 1.02 H new ATOM 0 HB3 GLU A 37 12.642 12.347 -0.945 1.00 1.02 H new ATOM 0 HG2 GLU A 37 13.456 11.669 -3.188 1.00 1.42 H new ATOM 0 HG3 GLU A 37 11.927 10.875 -3.506 1.00 1.42 H new ATOM 516 N ASP A 38 11.487 9.517 1.000 1.00 0.61 N ATOM 517 CA ASP A 38 11.242 9.271 2.406 1.00 0.54 C ATOM 518 C ASP A 38 10.654 7.882 2.576 1.00 0.41 C ATOM 519 O ASP A 38 9.441 7.699 2.489 1.00 0.39 O ATOM 520 CB ASP A 38 10.290 10.316 2.999 1.00 0.60 C ATOM 521 CG ASP A 38 10.943 11.670 3.182 1.00 1.20 C ATOM 522 OD1 ASP A 38 10.730 12.560 2.332 1.00 1.20 O ATOM 523 OD2 ASP A 38 11.668 11.856 4.182 1.00 2.29 O ATOM 0 H ASP A 38 10.751 9.175 0.383 1.00 0.61 H new ATOM 0 HA ASP A 38 12.190 9.343 2.939 1.00 0.54 H new ATOM 0 HB2 ASP A 38 9.423 10.421 2.347 1.00 0.60 H new ATOM 0 HB3 ASP A 38 9.924 9.961 3.962 1.00 0.60 H new ATOM 528 N PRO A 39 11.508 6.875 2.809 1.00 0.41 N ATOM 529 CA PRO A 39 11.062 5.492 2.995 1.00 0.40 C ATOM 530 C PRO A 39 10.353 5.302 4.331 1.00 0.32 C ATOM 531 O PRO A 39 9.991 4.192 4.706 1.00 0.35 O ATOM 532 CB PRO A 39 12.362 4.688 2.949 1.00 0.57 C ATOM 533 CG PRO A 39 13.413 5.644 3.393 1.00 0.64 C ATOM 534 CD PRO A 39 12.976 7.002 2.912 1.00 0.57 C ATOM 0 HA PRO A 39 10.339 5.184 2.240 1.00 0.40 H new ATOM 0 HB2 PRO A 39 12.314 3.819 3.606 1.00 0.57 H new ATOM 0 HB3 PRO A 39 12.563 4.317 1.944 1.00 0.57 H new ATOM 0 HG2 PRO A 39 13.518 5.631 4.478 1.00 0.64 H new ATOM 0 HG3 PRO A 39 14.384 5.377 2.975 1.00 0.64 H new ATOM 0 HD2 PRO A 39 13.263 7.787 3.612 1.00 0.57 H new ATOM 0 HD3 PRO A 39 13.426 7.251 1.951 1.00 0.57 H new ATOM 542 N THR A 40 10.135 6.406 5.026 1.00 0.30 N ATOM 543 CA THR A 40 9.488 6.386 6.326 1.00 0.31 C ATOM 544 C THR A 40 7.986 6.153 6.191 1.00 0.28 C ATOM 545 O THR A 40 7.279 5.973 7.183 1.00 0.48 O ATOM 546 CB THR A 40 9.750 7.708 7.067 1.00 0.42 C ATOM 547 OG1 THR A 40 9.596 8.808 6.158 1.00 0.51 O ATOM 548 CG2 THR A 40 11.150 7.726 7.660 1.00 0.49 C ATOM 0 H THR A 40 10.401 7.337 4.706 1.00 0.30 H new ATOM 0 HA THR A 40 9.910 5.561 6.900 1.00 0.31 H new ATOM 0 HB THR A 40 9.029 7.799 7.880 1.00 0.42 H new ATOM 0 HG1 THR A 40 9.762 9.650 6.632 1.00 0.51 H new ATOM 0 HG21 THR A 40 11.313 8.670 8.179 1.00 0.49 H new ATOM 0 HG22 THR A 40 11.257 6.901 8.365 1.00 0.49 H new ATOM 0 HG23 THR A 40 11.885 7.619 6.862 1.00 0.49 H new ATOM 556 N VAL A 41 7.508 6.161 4.953 1.00 0.20 N ATOM 557 CA VAL A 41 6.102 5.915 4.669 1.00 0.17 C ATOM 558 C VAL A 41 5.815 4.417 4.622 1.00 0.14 C ATOM 559 O VAL A 41 6.731 3.597 4.503 1.00 0.15 O ATOM 560 CB VAL A 41 5.672 6.555 3.328 1.00 0.20 C ATOM 561 CG1 VAL A 41 5.904 8.056 3.350 1.00 0.24 C ATOM 562 CG2 VAL A 41 6.406 5.916 2.157 1.00 0.23 C ATOM 0 H VAL A 41 8.078 6.336 4.126 1.00 0.20 H new ATOM 0 HA VAL A 41 5.528 6.373 5.475 1.00 0.17 H new ATOM 0 HB VAL A 41 4.605 6.374 3.197 1.00 0.20 H new ATOM 0 HG11 VAL A 41 5.595 8.486 2.397 1.00 0.24 H new ATOM 0 HG12 VAL A 41 5.321 8.502 4.156 1.00 0.24 H new ATOM 0 HG13 VAL A 41 6.963 8.258 3.513 1.00 0.24 H new ATOM 0 HG21 VAL A 41 6.085 6.385 1.227 1.00 0.23 H new ATOM 0 HG22 VAL A 41 7.480 6.055 2.281 1.00 0.23 H new ATOM 0 HG23 VAL A 41 6.179 4.850 2.123 1.00 0.23 H new ATOM 572 N LEU A 42 4.543 4.067 4.720 1.00 0.14 N ATOM 573 CA LEU A 42 4.124 2.676 4.653 1.00 0.14 C ATOM 574 C LEU A 42 3.890 2.261 3.212 1.00 0.12 C ATOM 575 O LEU A 42 3.099 2.883 2.497 1.00 0.15 O ATOM 576 CB LEU A 42 2.845 2.453 5.468 1.00 0.16 C ATOM 577 CG LEU A 42 2.986 2.640 6.981 1.00 0.17 C ATOM 578 CD1 LEU A 42 1.642 2.460 7.671 1.00 0.20 C ATOM 579 CD2 LEU A 42 4.008 1.664 7.544 1.00 0.22 C ATOM 0 H LEU A 42 3.779 4.731 4.847 1.00 0.14 H new ATOM 0 HA LEU A 42 4.921 2.064 5.076 1.00 0.14 H new ATOM 0 HB2 LEU A 42 2.079 3.139 5.105 1.00 0.16 H new ATOM 0 HB3 LEU A 42 2.485 1.442 5.277 1.00 0.16 H new ATOM 0 HG LEU A 42 3.335 3.655 7.170 1.00 0.17 H new ATOM 0 HD11 LEU A 42 1.763 2.597 8.746 1.00 0.20 H new ATOM 0 HD12 LEU A 42 0.935 3.197 7.289 1.00 0.20 H new ATOM 0 HD13 LEU A 42 1.263 1.457 7.473 1.00 0.20 H new ATOM 0 HD21 LEU A 42 4.096 1.810 8.621 1.00 0.22 H new ATOM 0 HD22 LEU A 42 3.686 0.643 7.342 1.00 0.22 H new ATOM 0 HD23 LEU A 42 4.976 1.839 7.074 1.00 0.22 H new ATOM 591 N ILE A 43 4.590 1.224 2.785 1.00 0.11 N ATOM 592 CA ILE A 43 4.386 0.676 1.458 1.00 0.10 C ATOM 593 C ILE A 43 3.620 -0.633 1.546 1.00 0.11 C ATOM 594 O ILE A 43 3.865 -1.457 2.432 1.00 0.15 O ATOM 595 CB ILE A 43 5.704 0.467 0.677 1.00 0.11 C ATOM 596 CG1 ILE A 43 6.753 -0.262 1.521 1.00 0.11 C ATOM 597 CG2 ILE A 43 6.243 1.804 0.190 1.00 0.13 C ATOM 598 CD1 ILE A 43 8.001 -0.631 0.743 1.00 0.14 C ATOM 0 H ILE A 43 5.302 0.747 3.337 1.00 0.11 H new ATOM 0 HA ILE A 43 3.805 1.412 0.902 1.00 0.10 H new ATOM 0 HB ILE A 43 5.485 -0.163 -0.185 1.00 0.11 H new ATOM 0 HG12 ILE A 43 7.033 0.369 2.364 1.00 0.11 H new ATOM 0 HG13 ILE A 43 6.310 -1.168 1.934 1.00 0.11 H new ATOM 0 HG21 ILE A 43 7.171 1.644 -0.359 1.00 0.13 H new ATOM 0 HG22 ILE A 43 5.510 2.275 -0.466 1.00 0.13 H new ATOM 0 HG23 ILE A 43 6.434 2.453 1.045 1.00 0.13 H new ATOM 0 HD11 ILE A 43 8.702 -1.144 1.401 1.00 0.14 H new ATOM 0 HD12 ILE A 43 7.733 -1.288 -0.085 1.00 0.14 H new ATOM 0 HD13 ILE A 43 8.467 0.274 0.352 1.00 0.14 H new ATOM 610 N GLY A 44 2.679 -0.810 0.639 1.00 0.13 N ATOM 611 CA GLY A 44 1.828 -1.973 0.680 1.00 0.16 C ATOM 612 C GLY A 44 1.989 -2.862 -0.529 1.00 0.17 C ATOM 613 O GLY A 44 1.472 -2.566 -1.600 1.00 0.31 O ATOM 0 H GLY A 44 2.489 -0.166 -0.129 1.00 0.13 H new ATOM 0 HA2 GLY A 44 2.050 -2.548 1.579 1.00 0.16 H new ATOM 0 HA3 GLY A 44 0.788 -1.654 0.754 1.00 0.16 H new ATOM 617 N ASP A 45 2.702 -3.955 -0.356 1.00 0.18 N ATOM 618 CA ASP A 45 2.878 -4.926 -1.425 1.00 0.20 C ATOM 619 C ASP A 45 1.653 -5.826 -1.497 1.00 0.20 C ATOM 620 O ASP A 45 1.050 -6.140 -0.470 1.00 0.29 O ATOM 621 CB ASP A 45 4.142 -5.760 -1.197 1.00 0.32 C ATOM 622 CG ASP A 45 4.341 -6.819 -2.263 1.00 0.30 C ATOM 623 OD1 ASP A 45 4.906 -6.500 -3.327 1.00 0.42 O ATOM 624 OD2 ASP A 45 3.946 -7.982 -2.037 1.00 0.57 O ATOM 0 H ASP A 45 3.172 -4.197 0.516 1.00 0.18 H new ATOM 0 HA ASP A 45 2.992 -4.396 -2.371 1.00 0.20 H new ATOM 0 HB2 ASP A 45 5.010 -5.101 -1.179 1.00 0.32 H new ATOM 0 HB3 ASP A 45 4.085 -6.239 -0.220 1.00 0.32 H new ATOM 629 N GLY A 46 1.261 -6.212 -2.701 1.00 0.18 N ATOM 630 CA GLY A 46 0.095 -7.057 -2.845 1.00 0.21 C ATOM 631 C GLY A 46 -1.186 -6.297 -2.572 1.00 0.18 C ATOM 632 O GLY A 46 -2.112 -6.821 -1.960 1.00 0.18 O ATOM 0 H GLY A 46 1.724 -5.958 -3.574 1.00 0.18 H new ATOM 0 HA2 GLY A 46 0.066 -7.468 -3.854 1.00 0.21 H new ATOM 0 HA3 GLY A 46 0.170 -7.901 -2.159 1.00 0.21 H new ATOM 636 N CYS A 47 -1.232 -5.057 -3.020 1.00 0.17 N ATOM 637 CA CYS A 47 -2.336 -4.169 -2.706 1.00 0.15 C ATOM 638 C CYS A 47 -3.268 -4.019 -3.894 1.00 0.19 C ATOM 639 O CYS A 47 -2.870 -3.535 -4.955 1.00 0.25 O ATOM 640 CB CYS A 47 -1.797 -2.806 -2.290 1.00 0.15 C ATOM 641 SG CYS A 47 -2.693 -2.045 -0.904 1.00 0.12 S ATOM 0 H CYS A 47 -0.511 -4.639 -3.608 1.00 0.17 H new ATOM 0 HA CYS A 47 -2.904 -4.602 -1.882 1.00 0.15 H new ATOM 0 HB2 CYS A 47 -0.747 -2.911 -2.016 1.00 0.15 H new ATOM 0 HB3 CYS A 47 -1.837 -2.134 -3.147 1.00 0.15 H new ATOM 646 N ASP A 48 -4.501 -4.463 -3.722 1.00 0.19 N ATOM 647 CA ASP A 48 -5.509 -4.327 -4.762 1.00 0.24 C ATOM 648 C ASP A 48 -6.434 -3.163 -4.446 1.00 0.21 C ATOM 649 O ASP A 48 -6.900 -3.024 -3.319 1.00 0.19 O ATOM 650 CB ASP A 48 -6.320 -5.620 -4.930 1.00 0.30 C ATOM 651 CG ASP A 48 -7.358 -5.852 -3.846 1.00 1.50 C ATOM 652 OD1 ASP A 48 -8.542 -5.505 -4.058 1.00 2.21 O ATOM 653 OD2 ASP A 48 -7.005 -6.421 -2.793 1.00 2.02 O ATOM 0 H ASP A 48 -4.830 -4.921 -2.872 1.00 0.19 H new ATOM 0 HA ASP A 48 -4.995 -4.131 -5.703 1.00 0.24 H new ATOM 0 HB2 ASP A 48 -6.821 -5.598 -5.898 1.00 0.30 H new ATOM 0 HB3 ASP A 48 -5.633 -6.466 -4.946 1.00 0.30 H new ATOM 658 N PRO A 49 -6.676 -2.285 -5.423 1.00 0.26 N ATOM 659 CA PRO A 49 -7.628 -1.189 -5.269 1.00 0.28 C ATOM 660 C PRO A 49 -9.016 -1.725 -4.948 1.00 0.31 C ATOM 661 O PRO A 49 -9.591 -2.482 -5.736 1.00 0.37 O ATOM 662 CB PRO A 49 -7.623 -0.496 -6.634 1.00 0.35 C ATOM 663 CG PRO A 49 -6.375 -0.945 -7.311 1.00 0.44 C ATOM 664 CD PRO A 49 -6.044 -2.296 -6.749 1.00 0.34 C ATOM 0 HA PRO A 49 -7.362 -0.515 -4.454 1.00 0.28 H new ATOM 0 HB2 PRO A 49 -8.504 -0.770 -7.215 1.00 0.35 H new ATOM 0 HB3 PRO A 49 -7.639 0.588 -6.522 1.00 0.35 H new ATOM 0 HG2 PRO A 49 -6.518 -0.999 -8.390 1.00 0.44 H new ATOM 0 HG3 PRO A 49 -5.562 -0.241 -7.132 1.00 0.44 H new ATOM 0 HD2 PRO A 49 -6.438 -3.097 -7.374 1.00 0.34 H new ATOM 0 HD3 PRO A 49 -4.967 -2.447 -6.678 1.00 0.34 H new ATOM 672 N ILE A 50 -9.552 -1.346 -3.795 1.00 0.30 N ATOM 673 CA ILE A 50 -10.825 -1.887 -3.352 1.00 0.36 C ATOM 674 C ILE A 50 -11.967 -1.202 -4.083 1.00 0.43 C ATOM 675 O ILE A 50 -12.491 -0.178 -3.645 1.00 0.46 O ATOM 676 CB ILE A 50 -11.026 -1.756 -1.831 1.00 0.36 C ATOM 677 CG1 ILE A 50 -9.765 -2.197 -1.091 1.00 0.29 C ATOM 678 CG2 ILE A 50 -12.204 -2.610 -1.394 1.00 0.44 C ATOM 679 CD1 ILE A 50 -9.894 -2.138 0.414 1.00 0.31 C ATOM 0 H ILE A 50 -9.128 -0.673 -3.157 1.00 0.30 H new ATOM 0 HA ILE A 50 -10.818 -2.951 -3.588 1.00 0.36 H new ATOM 0 HB ILE A 50 -11.228 -0.712 -1.591 1.00 0.36 H new ATOM 0 HG12 ILE A 50 -9.519 -3.217 -1.386 1.00 0.29 H new ATOM 0 HG13 ILE A 50 -8.932 -1.565 -1.401 1.00 0.29 H new ATOM 0 HG21 ILE A 50 -12.343 -2.515 -0.317 1.00 0.44 H new ATOM 0 HG22 ILE A 50 -13.106 -2.276 -1.907 1.00 0.44 H new ATOM 0 HG23 ILE A 50 -12.010 -3.653 -1.644 1.00 0.44 H new ATOM 0 HD11 ILE A 50 -8.961 -2.465 0.872 1.00 0.31 H new ATOM 0 HD12 ILE A 50 -10.110 -1.115 0.721 1.00 0.31 H new ATOM 0 HD13 ILE A 50 -10.705 -2.792 0.736 1.00 0.31 H new ATOM 691 N THR A 51 -12.330 -1.778 -5.211 1.00 0.54 N ATOM 692 CA THR A 51 -13.361 -1.217 -6.062 1.00 0.64 C ATOM 693 C THR A 51 -14.526 -2.197 -6.208 1.00 0.79 C ATOM 694 O THR A 51 -15.374 -2.066 -7.092 1.00 0.88 O ATOM 695 CB THR A 51 -12.777 -0.838 -7.446 1.00 0.66 C ATOM 696 OG1 THR A 51 -13.765 -0.191 -8.258 1.00 0.78 O ATOM 697 CG2 THR A 51 -12.234 -2.064 -8.169 1.00 0.70 C ATOM 0 H THR A 51 -11.921 -2.644 -5.563 1.00 0.54 H new ATOM 0 HA THR A 51 -13.740 -0.308 -5.595 1.00 0.64 H new ATOM 0 HB THR A 51 -11.954 -0.144 -7.275 1.00 0.66 H new ATOM 0 HG1 THR A 51 -14.386 0.304 -7.685 1.00 0.78 H new ATOM 0 HG21 THR A 51 -11.831 -1.767 -9.137 1.00 0.70 H new ATOM 0 HG22 THR A 51 -11.444 -2.519 -7.571 1.00 0.70 H new ATOM 0 HG23 THR A 51 -13.038 -2.785 -8.317 1.00 0.70 H new ATOM 705 N VAL A 52 -14.570 -3.166 -5.310 1.00 0.88 N ATOM 706 CA VAL A 52 -15.624 -4.163 -5.307 1.00 1.10 C ATOM 707 C VAL A 52 -16.840 -3.657 -4.532 1.00 1.38 C ATOM 708 O VAL A 52 -16.705 -3.038 -3.475 1.00 1.44 O ATOM 709 CB VAL A 52 -15.126 -5.495 -4.699 1.00 1.13 C ATOM 710 CG1 VAL A 52 -14.614 -5.288 -3.280 1.00 1.17 C ATOM 711 CG2 VAL A 52 -16.223 -6.546 -4.730 1.00 1.44 C ATOM 0 H VAL A 52 -13.881 -3.283 -4.567 1.00 0.88 H new ATOM 0 HA VAL A 52 -15.915 -4.344 -6.342 1.00 1.10 H new ATOM 0 HB VAL A 52 -14.296 -5.854 -5.307 1.00 1.13 H new ATOM 0 HG11 VAL A 52 -14.270 -6.240 -2.875 1.00 1.17 H new ATOM 0 HG12 VAL A 52 -13.787 -4.578 -3.292 1.00 1.17 H new ATOM 0 HG13 VAL A 52 -15.418 -4.898 -2.656 1.00 1.17 H new ATOM 0 HG21 VAL A 52 -15.850 -7.474 -4.297 1.00 1.44 H new ATOM 0 HG22 VAL A 52 -17.079 -6.195 -4.154 1.00 1.44 H new ATOM 0 HG23 VAL A 52 -16.528 -6.723 -5.761 1.00 1.44 H new ATOM 721 N ALA A 53 -18.025 -3.904 -5.068 1.00 1.71 N ATOM 722 CA ALA A 53 -19.255 -3.476 -4.422 1.00 2.11 C ATOM 723 C ALA A 53 -20.043 -4.677 -3.919 1.00 2.05 C ATOM 724 O ALA A 53 -20.069 -5.725 -4.567 1.00 2.54 O ATOM 725 CB ALA A 53 -20.099 -2.650 -5.379 1.00 2.94 C ATOM 0 H ALA A 53 -18.161 -4.399 -5.949 1.00 1.71 H new ATOM 0 HA ALA A 53 -18.994 -2.854 -3.566 1.00 2.11 H new ATOM 0 HB1 ALA A 53 -21.016 -2.338 -4.879 1.00 2.94 H new ATOM 0 HB2 ALA A 53 -19.538 -1.769 -5.691 1.00 2.94 H new ATOM 0 HB3 ALA A 53 -20.349 -3.250 -6.254 1.00 2.94 H new ATOM 731 N GLY A 54 -20.674 -4.520 -2.763 1.00 2.23 N ATOM 732 CA GLY A 54 -21.477 -5.585 -2.197 1.00 2.81 C ATOM 733 C GLY A 54 -20.636 -6.747 -1.720 1.00 2.91 C ATOM 734 O GLY A 54 -20.854 -7.887 -2.127 1.00 3.50 O ATOM 0 H GLY A 54 -20.643 -3.667 -2.204 1.00 2.23 H new ATOM 0 HA2 GLY A 54 -22.059 -5.194 -1.362 1.00 2.81 H new ATOM 0 HA3 GLY A 54 -22.188 -5.937 -2.944 1.00 2.81 H new ATOM 738 N SER A 55 -19.671 -6.462 -0.861 1.00 2.88 N ATOM 739 CA SER A 55 -18.786 -7.491 -0.351 1.00 3.27 C ATOM 740 C SER A 55 -18.160 -7.043 0.965 1.00 2.84 C ATOM 741 O SER A 55 -17.461 -6.028 1.016 1.00 3.08 O ATOM 742 CB SER A 55 -17.697 -7.801 -1.385 1.00 4.15 C ATOM 743 OG SER A 55 -16.981 -8.979 -1.049 1.00 4.90 O ATOM 0 H SER A 55 -19.482 -5.526 -0.503 1.00 2.88 H new ATOM 0 HA SER A 55 -19.363 -8.397 -0.167 1.00 3.27 H new ATOM 0 HB2 SER A 55 -18.151 -7.918 -2.369 1.00 4.15 H new ATOM 0 HB3 SER A 55 -17.006 -6.960 -1.451 1.00 4.15 H new ATOM 0 HG SER A 55 -16.296 -9.150 -1.728 1.00 4.90 H new ATOM 749 N SER A 56 -18.433 -7.787 2.032 1.00 2.68 N ATOM 750 CA SER A 56 -17.841 -7.506 3.328 1.00 2.71 C ATOM 751 C SER A 56 -16.377 -7.919 3.321 1.00 2.12 C ATOM 752 O SER A 56 -15.531 -7.285 3.951 1.00 2.50 O ATOM 753 CB SER A 56 -18.614 -8.237 4.427 1.00 3.33 C ATOM 754 OG SER A 56 -18.901 -9.571 4.043 1.00 4.06 O ATOM 0 H SER A 56 -19.062 -8.590 2.021 1.00 2.68 H new ATOM 0 HA SER A 56 -17.897 -6.436 3.531 1.00 2.71 H new ATOM 0 HB2 SER A 56 -18.031 -8.237 5.348 1.00 3.33 H new ATOM 0 HB3 SER A 56 -19.543 -7.707 4.637 1.00 3.33 H new ATOM 0 HG SER A 56 -19.394 -10.019 4.762 1.00 4.06 H new ATOM 760 N ASP A 57 -16.079 -8.973 2.568 1.00 1.64 N ATOM 761 CA ASP A 57 -14.702 -9.390 2.343 1.00 1.50 C ATOM 762 C ASP A 57 -14.110 -8.561 1.208 1.00 1.07 C ATOM 763 O ASP A 57 -13.625 -9.083 0.207 1.00 1.44 O ATOM 764 CB ASP A 57 -14.635 -10.890 2.026 1.00 2.15 C ATOM 765 CG ASP A 57 -13.218 -11.401 1.809 1.00 2.62 C ATOM 766 OD1 ASP A 57 -12.418 -11.370 2.768 1.00 3.12 O ATOM 767 OD2 ASP A 57 -12.890 -11.823 0.677 1.00 3.13 O ATOM 0 H ASP A 57 -16.776 -9.555 2.103 1.00 1.64 H new ATOM 0 HA ASP A 57 -14.118 -9.222 3.248 1.00 1.50 H new ATOM 0 HB2 ASP A 57 -15.093 -11.447 2.844 1.00 2.15 H new ATOM 0 HB3 ASP A 57 -15.226 -11.091 1.133 1.00 2.15 H new ATOM 772 N ALA A 58 -14.188 -7.246 1.365 1.00 0.67 N ATOM 773 CA ALA A 58 -13.630 -6.317 0.394 1.00 0.66 C ATOM 774 C ALA A 58 -12.119 -6.264 0.537 1.00 0.60 C ATOM 775 O ALA A 58 -11.411 -5.702 -0.298 1.00 0.83 O ATOM 776 CB ALA A 58 -14.237 -4.934 0.576 1.00 0.99 C ATOM 0 H ALA A 58 -14.637 -6.797 2.163 1.00 0.67 H new ATOM 0 HA ALA A 58 -13.872 -6.665 -0.610 1.00 0.66 H new ATOM 0 HB1 ALA A 58 -13.810 -4.250 -0.157 1.00 0.99 H new ATOM 0 HB2 ALA A 58 -15.316 -4.989 0.435 1.00 0.99 H new ATOM 0 HB3 ALA A 58 -14.020 -4.571 1.581 1.00 0.99 H new ATOM 782 N CYS A 59 -11.642 -6.860 1.612 1.00 0.45 N ATOM 783 CA CYS A 59 -10.225 -6.944 1.886 1.00 0.54 C ATOM 784 C CYS A 59 -9.949 -8.105 2.828 1.00 0.55 C ATOM 785 O CYS A 59 -10.450 -8.132 3.954 1.00 0.74 O ATOM 786 CB CYS A 59 -9.722 -5.643 2.502 1.00 0.73 C ATOM 787 SG CYS A 59 -7.938 -5.651 2.841 1.00 0.74 S ATOM 0 H CYS A 59 -12.229 -7.300 2.320 1.00 0.45 H new ATOM 0 HA CYS A 59 -9.697 -7.110 0.947 1.00 0.54 H new ATOM 0 HB2 CYS A 59 -9.953 -4.817 1.829 1.00 0.73 H new ATOM 0 HB3 CYS A 59 -10.261 -5.457 3.431 1.00 0.73 H new ATOM 792 N SER A 60 -9.170 -9.069 2.364 1.00 0.64 N ATOM 793 CA SER A 60 -8.850 -10.236 3.167 1.00 0.86 C ATOM 794 C SER A 60 -7.550 -10.036 3.948 1.00 0.71 C ATOM 795 O SER A 60 -7.337 -10.668 4.983 1.00 1.05 O ATOM 796 CB SER A 60 -8.743 -11.467 2.273 1.00 1.24 C ATOM 797 OG SER A 60 -9.917 -11.636 1.489 1.00 2.14 O ATOM 0 H SER A 60 -8.748 -9.065 1.435 1.00 0.64 H new ATOM 0 HA SER A 60 -9.654 -10.382 3.889 1.00 0.86 H new ATOM 0 HB2 SER A 60 -7.876 -11.371 1.619 1.00 1.24 H new ATOM 0 HB3 SER A 60 -8.582 -12.353 2.887 1.00 1.24 H new ATOM 0 HG SER A 60 -10.708 -11.503 2.052 1.00 2.14 H new ATOM 803 N ALA A 61 -6.685 -9.154 3.460 1.00 0.38 N ATOM 804 CA ALA A 61 -5.401 -8.928 4.111 1.00 0.32 C ATOM 805 C ALA A 61 -5.439 -7.702 5.025 1.00 0.32 C ATOM 806 O ALA A 61 -5.704 -7.823 6.221 1.00 0.54 O ATOM 807 CB ALA A 61 -4.286 -8.814 3.079 1.00 0.38 C ATOM 0 H ALA A 61 -6.847 -8.590 2.626 1.00 0.38 H new ATOM 0 HA ALA A 61 -5.192 -9.792 4.742 1.00 0.32 H new ATOM 0 HB1 ALA A 61 -3.336 -8.645 3.587 1.00 0.38 H new ATOM 0 HB2 ALA A 61 -4.230 -9.736 2.501 1.00 0.38 H new ATOM 0 HB3 ALA A 61 -4.493 -7.979 2.410 1.00 0.38 H new ATOM 813 N THR A 62 -5.188 -6.523 4.468 1.00 0.22 N ATOM 814 CA THR A 62 -5.162 -5.296 5.257 1.00 0.19 C ATOM 815 C THR A 62 -5.626 -4.103 4.422 1.00 0.18 C ATOM 816 O THR A 62 -5.101 -3.851 3.340 1.00 0.20 O ATOM 817 CB THR A 62 -3.742 -5.022 5.798 1.00 0.22 C ATOM 818 OG1 THR A 62 -3.259 -6.174 6.505 1.00 0.29 O ATOM 819 CG2 THR A 62 -3.728 -3.816 6.729 1.00 0.24 C ATOM 0 H THR A 62 -5.000 -6.390 3.474 1.00 0.22 H new ATOM 0 HA THR A 62 -5.844 -5.429 6.097 1.00 0.19 H new ATOM 0 HB THR A 62 -3.094 -4.809 4.948 1.00 0.22 H new ATOM 0 HG1 THR A 62 -2.357 -5.995 6.845 1.00 0.29 H new ATOM 0 HG21 THR A 62 -2.714 -3.649 7.093 1.00 0.24 H new ATOM 0 HG22 THR A 62 -4.069 -2.934 6.187 1.00 0.24 H new ATOM 0 HG23 THR A 62 -4.391 -4.001 7.574 1.00 0.24 H new ATOM 827 N ALA A 63 -6.608 -3.371 4.929 1.00 0.19 N ATOM 828 CA ALA A 63 -7.163 -2.235 4.208 1.00 0.20 C ATOM 829 C ALA A 63 -6.355 -0.984 4.502 1.00 0.17 C ATOM 830 O ALA A 63 -6.046 -0.688 5.657 1.00 0.19 O ATOM 831 CB ALA A 63 -8.626 -2.028 4.577 1.00 0.25 C ATOM 0 H ALA A 63 -7.037 -3.544 5.838 1.00 0.19 H new ATOM 0 HA ALA A 63 -7.109 -2.441 3.139 1.00 0.20 H new ATOM 0 HB1 ALA A 63 -9.023 -1.174 4.028 1.00 0.25 H new ATOM 0 HB2 ALA A 63 -9.196 -2.921 4.320 1.00 0.25 H new ATOM 0 HB3 ALA A 63 -8.708 -1.840 5.648 1.00 0.25 H new ATOM 837 N VAL A 64 -6.003 -0.257 3.458 1.00 0.14 N ATOM 838 CA VAL A 64 -5.159 0.916 3.597 1.00 0.13 C ATOM 839 C VAL A 64 -5.581 2.024 2.642 1.00 0.14 C ATOM 840 O VAL A 64 -6.429 1.830 1.770 1.00 0.21 O ATOM 841 CB VAL A 64 -3.681 0.575 3.332 1.00 0.15 C ATOM 842 CG1 VAL A 64 -3.055 -0.144 4.519 1.00 0.14 C ATOM 843 CG2 VAL A 64 -3.571 -0.269 2.079 1.00 0.19 C ATOM 0 H VAL A 64 -6.290 -0.459 2.500 1.00 0.14 H new ATOM 0 HA VAL A 64 -5.275 1.262 4.624 1.00 0.13 H new ATOM 0 HB VAL A 64 -3.133 1.506 3.188 1.00 0.15 H new ATOM 0 HG11 VAL A 64 -2.012 -0.370 4.299 1.00 0.14 H new ATOM 0 HG12 VAL A 64 -3.110 0.494 5.401 1.00 0.14 H new ATOM 0 HG13 VAL A 64 -3.595 -1.072 4.708 1.00 0.14 H new ATOM 0 HG21 VAL A 64 -2.524 -0.509 1.893 1.00 0.19 H new ATOM 0 HG22 VAL A 64 -4.137 -1.191 2.211 1.00 0.19 H new ATOM 0 HG23 VAL A 64 -3.972 0.285 1.231 1.00 0.19 H new ATOM 853 N CYS A 65 -4.967 3.178 2.820 1.00 0.17 N ATOM 854 CA CYS A 65 -5.237 4.343 2.000 1.00 0.17 C ATOM 855 C CYS A 65 -3.925 4.973 1.559 1.00 0.13 C ATOM 856 O CYS A 65 -3.240 5.609 2.361 1.00 0.14 O ATOM 857 CB CYS A 65 -6.063 5.358 2.797 1.00 0.23 C ATOM 858 SG CYS A 65 -6.353 6.940 1.939 1.00 0.39 S ATOM 0 H CYS A 65 -4.263 3.334 3.541 1.00 0.17 H new ATOM 0 HA CYS A 65 -5.802 4.040 1.118 1.00 0.17 H new ATOM 0 HB2 CYS A 65 -7.026 4.911 3.042 1.00 0.23 H new ATOM 0 HB3 CYS A 65 -5.556 5.559 3.741 1.00 0.23 H new ATOM 863 N CYS A 66 -3.560 4.774 0.302 1.00 0.12 N ATOM 864 CA CYS A 66 -2.324 5.334 -0.220 1.00 0.13 C ATOM 865 C CYS A 66 -2.546 6.687 -0.862 1.00 0.16 C ATOM 866 O CYS A 66 -3.439 6.871 -1.691 1.00 0.23 O ATOM 867 CB CYS A 66 -1.673 4.389 -1.219 1.00 0.19 C ATOM 868 SG CYS A 66 -0.443 3.273 -0.480 1.00 0.65 S ATOM 0 H CYS A 66 -4.099 4.231 -0.373 1.00 0.12 H new ATOM 0 HA CYS A 66 -1.654 5.467 0.630 1.00 0.13 H new ATOM 0 HB2 CYS A 66 -2.449 3.793 -1.699 1.00 0.19 H new ATOM 0 HB3 CYS A 66 -1.193 4.977 -2.001 1.00 0.19 H new ATOM 873 N SER A 67 -1.713 7.630 -0.460 1.00 0.24 N ATOM 874 CA SER A 67 -1.752 8.982 -0.982 1.00 0.29 C ATOM 875 C SER A 67 -1.124 9.049 -2.366 1.00 0.32 C ATOM 876 O SER A 67 -1.537 9.839 -3.218 1.00 0.41 O ATOM 877 CB SER A 67 -1.022 9.916 -0.023 1.00 0.35 C ATOM 878 OG SER A 67 -1.634 9.908 1.256 1.00 1.15 O ATOM 0 H SER A 67 -0.988 7.478 0.241 1.00 0.24 H new ATOM 0 HA SER A 67 -2.792 9.295 -1.072 1.00 0.29 H new ATOM 0 HB2 SER A 67 0.020 9.610 0.066 1.00 0.35 H new ATOM 0 HB3 SER A 67 -1.023 10.929 -0.425 1.00 0.35 H new ATOM 0 HG SER A 67 -1.148 10.513 1.855 1.00 1.15 H new ATOM 884 N ASP A 68 -0.132 8.206 -2.585 1.00 0.30 N ATOM 885 CA ASP A 68 0.573 8.176 -3.857 1.00 0.37 C ATOM 886 C ASP A 68 0.228 6.902 -4.608 1.00 0.44 C ATOM 887 O ASP A 68 0.136 5.825 -4.016 1.00 0.57 O ATOM 888 CB ASP A 68 2.083 8.268 -3.644 1.00 0.43 C ATOM 889 CG ASP A 68 2.735 9.261 -4.583 1.00 1.03 C ATOM 890 OD1 ASP A 68 2.723 9.028 -5.808 1.00 1.60 O ATOM 891 OD2 ASP A 68 3.262 10.285 -4.094 1.00 1.52 O ATOM 0 H ASP A 68 0.206 7.531 -1.899 1.00 0.30 H new ATOM 0 HA ASP A 68 0.259 9.037 -4.447 1.00 0.37 H new ATOM 0 HB2 ASP A 68 2.285 8.559 -2.613 1.00 0.43 H new ATOM 0 HB3 ASP A 68 2.529 7.285 -3.791 1.00 0.43 H new ATOM 896 N ASN A 69 0.022 7.022 -5.908 1.00 0.53 N ATOM 897 CA ASN A 69 -0.437 5.894 -6.705 1.00 0.63 C ATOM 898 C ASN A 69 0.549 5.560 -7.818 1.00 0.59 C ATOM 899 O ASN A 69 0.181 4.956 -8.827 1.00 0.64 O ATOM 900 CB ASN A 69 -1.824 6.185 -7.285 1.00 0.84 C ATOM 901 CG ASN A 69 -2.885 6.386 -6.213 1.00 1.67 C ATOM 902 OD1 ASN A 69 -2.768 5.666 -5.106 1.00 2.35 O flip ATOM 903 ND2 ASN A 69 -3.807 7.182 -6.379 1.00 2.49 N flip ATOM 0 H ASN A 69 0.164 7.884 -6.434 1.00 0.53 H new ATOM 0 HA ASN A 69 -0.503 5.025 -6.051 1.00 0.63 H new ATOM 0 HB2 ASN A 69 -1.771 7.078 -7.909 1.00 0.84 H new ATOM 0 HB3 ASN A 69 -2.121 5.361 -7.933 1.00 0.84 H new ATOM 0 HD21 ASN A 69 -3.867 7.720 -7.243 1.00 2.49 H new ATOM 0 HD22 ASN A 69 -4.512 7.304 -5.652 1.00 2.49 H new ATOM 910 N ASN A 70 1.806 5.941 -7.630 1.00 0.59 N ATOM 911 CA ASN A 70 2.863 5.607 -8.584 1.00 0.64 C ATOM 912 C ASN A 70 3.352 4.179 -8.337 1.00 0.55 C ATOM 913 O ASN A 70 4.538 3.926 -8.123 1.00 0.86 O ATOM 914 CB ASN A 70 4.022 6.615 -8.489 1.00 0.83 C ATOM 915 CG ASN A 70 4.679 6.669 -7.115 1.00 1.50 C ATOM 916 OD1 ASN A 70 4.049 6.402 -6.092 1.00 2.24 O ATOM 917 ND2 ASN A 70 5.950 7.037 -7.087 1.00 2.27 N ATOM 0 H ASN A 70 2.122 6.482 -6.825 1.00 0.59 H new ATOM 0 HA ASN A 70 2.459 5.665 -9.595 1.00 0.64 H new ATOM 0 HB2 ASN A 70 4.777 6.358 -9.232 1.00 0.83 H new ATOM 0 HB3 ASN A 70 3.650 7.608 -8.743 1.00 0.83 H new ATOM 0 HD21 ASN A 70 6.441 7.107 -6.196 1.00 2.27 H new ATOM 0 HD22 ASN A 70 6.438 7.250 -7.957 1.00 2.27 H new ATOM 924 N VAL A 71 2.412 3.248 -8.397 1.00 0.41 N ATOM 925 CA VAL A 71 2.645 1.871 -8.009 1.00 0.38 C ATOM 926 C VAL A 71 3.288 1.055 -9.132 1.00 0.33 C ATOM 927 O VAL A 71 3.201 1.405 -10.309 1.00 0.38 O ATOM 928 CB VAL A 71 1.317 1.218 -7.586 1.00 0.52 C ATOM 929 CG1 VAL A 71 0.660 2.035 -6.481 1.00 1.10 C ATOM 930 CG2 VAL A 71 0.373 1.071 -8.773 1.00 1.03 C ATOM 0 H VAL A 71 1.461 3.431 -8.719 1.00 0.41 H new ATOM 0 HA VAL A 71 3.341 1.880 -7.170 1.00 0.38 H new ATOM 0 HB VAL A 71 1.534 0.220 -7.207 1.00 0.52 H new ATOM 0 HG11 VAL A 71 -0.279 1.564 -6.189 1.00 1.10 H new ATOM 0 HG12 VAL A 71 1.325 2.082 -5.619 1.00 1.10 H new ATOM 0 HG13 VAL A 71 0.463 3.044 -6.843 1.00 1.10 H new ATOM 0 HG21 VAL A 71 -0.556 0.607 -8.443 1.00 1.03 H new ATOM 0 HG22 VAL A 71 0.159 2.054 -9.192 1.00 1.03 H new ATOM 0 HG23 VAL A 71 0.840 0.447 -9.534 1.00 1.03 H new ATOM 940 N SER A 72 3.928 -0.043 -8.741 1.00 0.32 N ATOM 941 CA SER A 72 4.631 -0.918 -9.673 1.00 0.37 C ATOM 942 C SER A 72 3.668 -1.892 -10.342 1.00 0.42 C ATOM 943 O SER A 72 4.062 -2.685 -11.194 1.00 0.55 O ATOM 944 CB SER A 72 5.705 -1.703 -8.921 1.00 0.45 C ATOM 945 OG SER A 72 5.115 -2.579 -7.973 1.00 1.41 O ATOM 0 H SER A 72 3.974 -0.351 -7.770 1.00 0.32 H new ATOM 0 HA SER A 72 5.090 -0.301 -10.446 1.00 0.37 H new ATOM 0 HB2 SER A 72 6.306 -2.275 -9.628 1.00 0.45 H new ATOM 0 HB3 SER A 72 6.380 -1.013 -8.415 1.00 0.45 H new ATOM 0 HG SER A 72 5.818 -3.074 -7.503 1.00 1.41 H new ATOM 951 N GLY A 73 2.407 -1.833 -9.937 1.00 0.39 N ATOM 952 CA GLY A 73 1.406 -2.724 -10.482 1.00 0.48 C ATOM 953 C GLY A 73 0.652 -3.466 -9.411 1.00 0.41 C ATOM 954 O GLY A 73 -0.534 -3.754 -9.572 1.00 0.48 O ATOM 0 H GLY A 73 2.059 -1.179 -9.236 1.00 0.39 H new ATOM 0 HA2 GLY A 73 0.703 -2.150 -11.086 1.00 0.48 H new ATOM 0 HA3 GLY A 73 1.886 -3.441 -11.148 1.00 0.48 H new ATOM 958 N VAL A 74 1.318 -3.764 -8.303 1.00 0.31 N ATOM 959 CA VAL A 74 0.659 -4.464 -7.211 1.00 0.28 C ATOM 960 C VAL A 74 1.002 -3.857 -5.859 1.00 0.22 C ATOM 961 O VAL A 74 0.441 -4.249 -4.845 1.00 0.34 O ATOM 962 CB VAL A 74 1.008 -5.967 -7.188 1.00 0.37 C ATOM 963 CG1 VAL A 74 0.733 -6.603 -8.543 1.00 0.49 C ATOM 964 CG2 VAL A 74 2.448 -6.186 -6.760 1.00 0.38 C ATOM 0 H VAL A 74 2.298 -3.536 -8.139 1.00 0.31 H new ATOM 0 HA VAL A 74 -0.410 -4.353 -7.392 1.00 0.28 H new ATOM 0 HB VAL A 74 0.368 -6.453 -6.452 1.00 0.37 H new ATOM 0 HG11 VAL A 74 0.986 -7.663 -8.506 1.00 0.49 H new ATOM 0 HG12 VAL A 74 -0.323 -6.490 -8.790 1.00 0.49 H new ATOM 0 HG13 VAL A 74 1.339 -6.112 -9.305 1.00 0.49 H new ATOM 0 HG21 VAL A 74 2.667 -7.254 -6.752 1.00 0.38 H new ATOM 0 HG22 VAL A 74 3.116 -5.684 -7.460 1.00 0.38 H new ATOM 0 HG23 VAL A 74 2.596 -5.778 -5.760 1.00 0.38 H new ATOM 974 N ILE A 75 1.933 -2.919 -5.826 1.00 0.18 N ATOM 975 CA ILE A 75 2.282 -2.285 -4.565 1.00 0.17 C ATOM 976 C ILE A 75 1.463 -1.031 -4.332 1.00 0.16 C ATOM 977 O ILE A 75 0.591 -0.684 -5.126 1.00 0.20 O ATOM 978 CB ILE A 75 3.768 -1.904 -4.479 1.00 0.19 C ATOM 979 CG1 ILE A 75 4.124 -0.897 -5.561 1.00 0.20 C ATOM 980 CG2 ILE A 75 4.627 -3.134 -4.603 1.00 0.24 C ATOM 981 CD1 ILE A 75 5.434 -0.185 -5.323 1.00 0.30 C ATOM 0 H ILE A 75 2.451 -2.585 -6.638 1.00 0.18 H new ATOM 0 HA ILE A 75 2.064 -3.029 -3.799 1.00 0.17 H new ATOM 0 HB ILE A 75 3.953 -1.444 -3.508 1.00 0.19 H new ATOM 0 HG12 ILE A 75 4.169 -1.410 -6.521 1.00 0.20 H new ATOM 0 HG13 ILE A 75 3.327 -0.157 -5.632 1.00 0.20 H new ATOM 0 HG21 ILE A 75 5.678 -2.852 -4.541 1.00 0.24 H new ATOM 0 HG22 ILE A 75 4.389 -3.827 -3.796 1.00 0.24 H new ATOM 0 HG23 ILE A 75 4.437 -3.615 -5.562 1.00 0.24 H new ATOM 0 HD11 ILE A 75 5.620 0.517 -6.136 1.00 0.30 H new ATOM 0 HD12 ILE A 75 5.387 0.358 -4.379 1.00 0.30 H new ATOM 0 HD13 ILE A 75 6.243 -0.915 -5.282 1.00 0.30 H new ATOM 993 N ALA A 76 1.762 -0.373 -3.232 1.00 0.15 N ATOM 994 CA ALA A 76 1.130 0.877 -2.866 1.00 0.16 C ATOM 995 C ALA A 76 2.111 1.714 -2.048 1.00 0.14 C ATOM 996 O ALA A 76 2.852 1.171 -1.231 1.00 0.15 O ATOM 997 CB ALA A 76 -0.140 0.590 -2.083 1.00 0.18 C ATOM 0 H ALA A 76 2.458 -0.694 -2.559 1.00 0.15 H new ATOM 0 HA ALA A 76 0.858 1.441 -3.758 1.00 0.16 H new ATOM 0 HB1 ALA A 76 -0.617 1.530 -1.807 1.00 0.18 H new ATOM 0 HB2 ALA A 76 -0.822 0.004 -2.699 1.00 0.18 H new ATOM 0 HB3 ALA A 76 0.107 0.030 -1.181 1.00 0.18 H new ATOM 1003 N ILE A 77 2.140 3.022 -2.278 1.00 0.15 N ATOM 1004 CA ILE A 77 3.112 3.885 -1.614 1.00 0.16 C ATOM 1005 C ILE A 77 2.429 4.991 -0.813 1.00 0.16 C ATOM 1006 O ILE A 77 1.633 5.765 -1.348 1.00 0.21 O ATOM 1007 CB ILE A 77 4.086 4.518 -2.635 1.00 0.19 C ATOM 1008 CG1 ILE A 77 4.799 3.422 -3.436 1.00 0.21 C ATOM 1009 CG2 ILE A 77 5.098 5.410 -1.926 1.00 0.24 C ATOM 1010 CD1 ILE A 77 5.702 3.951 -4.530 1.00 0.26 C ATOM 0 H ILE A 77 1.507 3.506 -2.914 1.00 0.15 H new ATOM 0 HA ILE A 77 3.675 3.254 -0.927 1.00 0.16 H new ATOM 0 HB ILE A 77 3.513 5.136 -3.327 1.00 0.19 H new ATOM 0 HG12 ILE A 77 5.391 2.813 -2.753 1.00 0.21 H new ATOM 0 HG13 ILE A 77 4.051 2.766 -3.881 1.00 0.21 H new ATOM 0 HG21 ILE A 77 5.775 5.847 -2.660 1.00 0.24 H new ATOM 0 HG22 ILE A 77 4.574 6.206 -1.397 1.00 0.24 H new ATOM 0 HG23 ILE A 77 5.670 4.816 -1.213 1.00 0.24 H new ATOM 0 HD11 ILE A 77 6.170 3.116 -5.051 1.00 0.26 H new ATOM 0 HD12 ILE A 77 5.113 4.536 -5.237 1.00 0.26 H new ATOM 0 HD13 ILE A 77 6.474 4.583 -4.091 1.00 0.26 H new ATOM 1022 N GLY A 78 2.744 5.056 0.476 1.00 0.16 N ATOM 1023 CA GLY A 78 2.168 6.074 1.333 1.00 0.17 C ATOM 1024 C GLY A 78 0.789 5.684 1.810 1.00 0.15 C ATOM 1025 O GLY A 78 -0.166 6.449 1.672 1.00 0.17 O ATOM 0 H GLY A 78 3.390 4.420 0.943 1.00 0.16 H new ATOM 0 HA2 GLY A 78 2.818 6.237 2.192 1.00 0.17 H new ATOM 0 HA3 GLY A 78 2.113 7.018 0.791 1.00 0.17 H new ATOM 1029 N CYS A 79 0.690 4.487 2.365 1.00 0.13 N ATOM 1030 CA CYS A 79 -0.582 3.940 2.792 1.00 0.13 C ATOM 1031 C CYS A 79 -0.804 4.103 4.285 1.00 0.13 C ATOM 1032 O CYS A 79 0.099 3.892 5.090 1.00 0.18 O ATOM 1033 CB CYS A 79 -0.660 2.464 2.421 1.00 0.15 C ATOM 1034 SG CYS A 79 -1.493 2.146 0.835 1.00 0.65 S ATOM 0 H CYS A 79 1.487 3.872 2.530 1.00 0.13 H new ATOM 0 HA CYS A 79 -1.366 4.497 2.279 1.00 0.13 H new ATOM 0 HB2 CYS A 79 0.350 2.056 2.378 1.00 0.15 H new ATOM 0 HB3 CYS A 79 -1.187 1.928 3.211 1.00 0.15 H new ATOM 1039 N LEU A 80 -2.012 4.502 4.641 1.00 0.14 N ATOM 1040 CA LEU A 80 -2.430 4.532 6.028 1.00 0.15 C ATOM 1041 C LEU A 80 -3.479 3.457 6.271 1.00 0.15 C ATOM 1042 O LEU A 80 -4.431 3.333 5.502 1.00 0.15 O ATOM 1043 CB LEU A 80 -2.991 5.900 6.392 1.00 0.19 C ATOM 1044 CG LEU A 80 -2.014 7.064 6.225 1.00 0.23 C ATOM 1045 CD1 LEU A 80 -2.695 8.384 6.544 1.00 0.29 C ATOM 1046 CD2 LEU A 80 -0.794 6.861 7.112 1.00 0.26 C ATOM 0 H LEU A 80 -2.725 4.812 3.981 1.00 0.14 H new ATOM 0 HA LEU A 80 -1.562 4.339 6.658 1.00 0.15 H new ATOM 0 HB2 LEU A 80 -3.870 6.091 5.776 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -3.328 5.874 7.428 1.00 0.19 H new ATOM 0 HG LEU A 80 -1.685 7.094 5.186 1.00 0.23 H new ATOM 0 HD11 LEU A 80 -1.983 9.200 6.419 1.00 0.29 H new ATOM 0 HD12 LEU A 80 -3.538 8.531 5.869 1.00 0.29 H new ATOM 0 HD13 LEU A 80 -3.053 8.369 7.573 1.00 0.29 H new ATOM 0 HD21 LEU A 80 -0.107 7.697 6.983 1.00 0.26 H new ATOM 0 HD22 LEU A 80 -1.107 6.806 8.155 1.00 0.26 H new ATOM 0 HD23 LEU A 80 -0.293 5.934 6.835 1.00 0.26 H new ATOM 1058 N PRO A 81 -3.304 2.657 7.328 1.00 0.15 N ATOM 1059 CA PRO A 81 -4.211 1.548 7.655 1.00 0.17 C ATOM 1060 C PRO A 81 -5.615 2.019 8.023 1.00 0.21 C ATOM 1061 O PRO A 81 -5.787 2.935 8.829 1.00 0.25 O ATOM 1062 CB PRO A 81 -3.545 0.871 8.861 1.00 0.21 C ATOM 1063 CG PRO A 81 -2.144 1.378 8.877 1.00 0.20 C ATOM 1064 CD PRO A 81 -2.196 2.757 8.286 1.00 0.17 C ATOM 0 HA PRO A 81 -4.350 0.886 6.800 1.00 0.17 H new ATOM 0 HB2 PRO A 81 -4.063 1.120 9.787 1.00 0.21 H new ATOM 0 HB3 PRO A 81 -3.569 -0.214 8.765 1.00 0.21 H new ATOM 0 HG2 PRO A 81 -1.750 1.404 9.893 1.00 0.20 H new ATOM 0 HG3 PRO A 81 -1.488 0.729 8.297 1.00 0.20 H new ATOM 0 HD2 PRO A 81 -2.385 3.516 9.045 1.00 0.17 H new ATOM 0 HD3 PRO A 81 -1.260 3.023 7.796 1.00 0.17 H new ATOM 1072 N VAL A 82 -6.612 1.386 7.419 1.00 0.23 N ATOM 1073 CA VAL A 82 -8.003 1.667 7.695 1.00 0.30 C ATOM 1074 C VAL A 82 -8.761 0.359 7.880 1.00 0.39 C ATOM 1075 O VAL A 82 -8.302 -0.697 7.449 1.00 0.42 O ATOM 1076 CB VAL A 82 -8.650 2.477 6.556 1.00 0.25 C ATOM 1077 CG1 VAL A 82 -8.244 3.941 6.634 1.00 0.33 C ATOM 1078 CG2 VAL A 82 -8.284 1.898 5.197 1.00 0.20 C ATOM 0 H VAL A 82 -6.470 0.658 6.719 1.00 0.23 H new ATOM 0 HA VAL A 82 -8.053 2.262 8.607 1.00 0.30 H new ATOM 0 HB VAL A 82 -9.732 2.412 6.675 1.00 0.25 H new ATOM 0 HG11 VAL A 82 -8.713 4.493 5.819 1.00 0.33 H new ATOM 0 HG12 VAL A 82 -8.567 4.358 7.588 1.00 0.33 H new ATOM 0 HG13 VAL A 82 -7.160 4.023 6.551 1.00 0.33 H new ATOM 0 HG21 VAL A 82 -8.754 2.489 4.411 1.00 0.20 H new ATOM 0 HG22 VAL A 82 -7.202 1.922 5.071 1.00 0.20 H new ATOM 0 HG23 VAL A 82 -8.634 0.868 5.134 1.00 0.20 H new ATOM 1088 N THR A 83 -9.907 0.420 8.532 1.00 0.53 N ATOM 1089 CA THR A 83 -10.695 -0.775 8.779 1.00 0.70 C ATOM 1090 C THR A 83 -11.770 -0.952 7.720 1.00 1.46 C ATOM 1091 O THR A 83 -12.709 -0.163 7.649 1.00 2.07 O ATOM 1092 CB THR A 83 -11.380 -0.728 10.147 1.00 1.31 C ATOM 1093 OG1 THR A 83 -10.458 -0.275 11.146 1.00 1.98 O ATOM 1094 CG2 THR A 83 -11.922 -2.098 10.534 1.00 1.65 C ATOM 0 H THR A 83 -10.313 1.281 8.899 1.00 0.53 H new ATOM 0 HA THR A 83 -9.998 -1.613 8.749 1.00 0.70 H new ATOM 0 HB THR A 83 -12.215 -0.031 10.082 1.00 1.31 H new ATOM 0 HG1 THR A 83 -10.907 -0.247 12.017 1.00 1.98 H new ATOM 0 HG21 THR A 83 -12.404 -2.036 11.510 1.00 1.65 H new ATOM 0 HG22 THR A 83 -12.649 -2.425 9.791 1.00 1.65 H new ATOM 0 HG23 THR A 83 -11.102 -2.814 10.579 1.00 1.65 H new ATOM 1102 N LEU A 84 -11.603 -1.996 6.920 1.00 1.87 N ATOM 1103 CA LEU A 84 -12.581 -2.419 5.914 1.00 2.80 C ATOM 1104 C LEU A 84 -13.152 -1.248 5.115 1.00 3.45 C ATOM 1105 O LEU A 84 -14.295 -0.825 5.398 1.00 3.87 O ATOM 1106 CB LEU A 84 -13.710 -3.204 6.591 1.00 3.22 C ATOM 1107 CG LEU A 84 -13.398 -4.674 6.916 1.00 3.13 C ATOM 1108 CD1 LEU A 84 -12.187 -4.805 7.826 1.00 3.79 C ATOM 1109 CD2 LEU A 84 -14.602 -5.331 7.562 1.00 3.37 C ATOM 1110 OXT LEU A 84 -12.455 -0.756 4.207 1.00 3.91 O ATOM 0 H LEU A 84 -10.772 -2.586 6.948 1.00 1.87 H new ATOM 0 HA LEU A 84 -12.060 -3.058 5.201 1.00 2.80 H new ATOM 0 HB2 LEU A 84 -13.977 -2.695 7.517 1.00 3.22 H new ATOM 0 HB3 LEU A 84 -14.588 -3.172 5.945 1.00 3.22 H new ATOM 0 HG LEU A 84 -13.167 -5.178 5.978 1.00 3.13 H new ATOM 0 HD11 LEU A 84 -11.999 -5.859 8.032 1.00 3.79 H new ATOM 0 HD12 LEU A 84 -11.315 -4.370 7.337 1.00 3.79 H new ATOM 0 HD13 LEU A 84 -12.377 -4.280 8.762 1.00 3.79 H new ATOM 0 HD21 LEU A 84 -14.371 -6.372 7.788 1.00 3.37 H new ATOM 0 HD22 LEU A 84 -14.852 -4.806 8.484 1.00 3.37 H new ATOM 0 HD23 LEU A 84 -15.450 -5.288 6.879 1.00 3.37 H new TER 1122 LEU A 84