USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=16 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 Single : A 1 GLY N :NH3+ -123:sc= 0.124 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot -90:sc= 0.809 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00195 USER MOD Single : A 10 SER OG : rot -170:sc= 0.899 USER MOD Single : A 12 GLN : amide:sc= -3.96! C(o=-4!,f=-9.4!) USER MOD Single : A 15 GLN : amide:sc= -2.09! K(o=-2.1!,f=-0.81) USER MOD Single : A 16 ASN : amide:sc= -0.0112 K(o=-0.011,f=-0.56) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0576 USER MOD Single : A 26 THR OG1 : rot 92:sc= 0.942 USER MOD Single : A 40 THR OG1 : rot -4:sc= 1.15 USER MOD Single : A 51 THR OG1 : rot -21:sc= 1.14 USER MOD Single : A 55 SER OG : rot 159:sc= 1.2 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0306 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.085 X(o=-0.085,f=-0.077) USER MOD Single : A 70 ASN : amide:sc= -0.71 K(o=-0.71,f=0) USER MOD Single : A 72 SER OG : rot 170:sc= -2.66! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.863 7.091 -7.857 1.00 5.63 N ATOM 2 CA GLY A 1 -18.502 6.413 -6.703 1.00 4.92 C ATOM 3 C GLY A 1 -18.384 4.910 -6.801 1.00 4.01 C ATOM 4 O GLY A 1 -17.859 4.397 -7.792 1.00 4.29 O ATOM 0 H1 GLY A 1 -17.139 7.753 -7.513 1.00 5.63 H new ATOM 0 H2 GLY A 1 -17.419 6.381 -8.474 1.00 5.63 H new ATOM 0 H3 GLY A 1 -18.583 7.614 -8.394 1.00 5.63 H new ATOM 0 HA2 GLY A 1 -18.038 6.755 -5.778 1.00 4.92 H new ATOM 0 HA3 GLY A 1 -19.554 6.693 -6.654 1.00 4.92 H new ATOM 10 N SER A 2 -18.877 4.206 -5.781 1.00 3.39 N ATOM 11 CA SER A 2 -18.774 2.750 -5.710 1.00 2.92 C ATOM 12 C SER A 2 -17.317 2.314 -5.855 1.00 2.13 C ATOM 13 O SER A 2 -16.977 1.477 -6.696 1.00 2.36 O ATOM 14 CB SER A 2 -19.646 2.097 -6.786 1.00 3.61 C ATOM 15 OG SER A 2 -21.005 2.475 -6.635 1.00 4.28 O ATOM 0 H SER A 2 -19.356 4.627 -4.985 1.00 3.39 H new ATOM 0 HA SER A 2 -19.135 2.422 -4.735 1.00 2.92 H new ATOM 0 HB2 SER A 2 -19.291 2.389 -7.774 1.00 3.61 H new ATOM 0 HB3 SER A 2 -19.557 1.012 -6.723 1.00 3.61 H new ATOM 0 HG SER A 2 -21.543 2.048 -7.334 1.00 4.28 H new ATOM 21 N TRP A 3 -16.461 2.901 -5.030 1.00 1.93 N ATOM 22 CA TRP A 3 -15.035 2.635 -5.088 1.00 1.69 C ATOM 23 C TRP A 3 -14.471 2.519 -3.677 1.00 1.84 C ATOM 24 O TRP A 3 -14.246 1.419 -3.177 1.00 2.71 O ATOM 25 CB TRP A 3 -14.329 3.759 -5.863 1.00 2.33 C ATOM 26 CG TRP A 3 -12.861 3.538 -6.095 1.00 2.76 C ATOM 27 CD1 TRP A 3 -11.842 3.777 -5.216 1.00 3.47 C ATOM 28 CD2 TRP A 3 -12.249 3.061 -7.297 1.00 3.17 C ATOM 29 NE1 TRP A 3 -10.636 3.466 -5.796 1.00 4.11 N ATOM 30 CE2 TRP A 3 -10.859 3.022 -7.073 1.00 3.90 C ATOM 31 CE3 TRP A 3 -12.741 2.654 -8.541 1.00 3.49 C ATOM 32 CZ2 TRP A 3 -9.958 2.594 -8.046 1.00 4.62 C ATOM 33 CZ3 TRP A 3 -11.845 2.232 -9.507 1.00 4.30 C ATOM 34 CH2 TRP A 3 -10.469 2.204 -9.254 1.00 4.74 C ATOM 0 H TRP A 3 -16.734 3.569 -4.309 1.00 1.93 H new ATOM 0 HA TRP A 3 -14.863 1.692 -5.607 1.00 1.69 H new ATOM 0 HB2 TRP A 3 -14.821 3.880 -6.828 1.00 2.33 H new ATOM 0 HB3 TRP A 3 -14.460 4.694 -5.319 1.00 2.33 H new ATOM 0 HD1 TRP A 3 -11.967 4.155 -4.212 1.00 3.47 H new ATOM 0 HE1 TRP A 3 -9.723 3.552 -5.349 1.00 4.11 H new ATOM 0 HE3 TRP A 3 -13.802 2.669 -8.744 1.00 3.49 H new ATOM 0 HZ2 TRP A 3 -8.895 2.571 -7.854 1.00 4.62 H new ATOM 0 HZ3 TRP A 3 -12.214 1.919 -10.473 1.00 4.30 H new ATOM 0 HH2 TRP A 3 -9.796 1.867 -10.029 1.00 4.74 H new ATOM 45 N GLY A 4 -14.302 3.658 -3.025 1.00 1.61 N ATOM 46 CA GLY A 4 -13.669 3.687 -1.723 1.00 2.03 C ATOM 47 C GLY A 4 -12.651 4.803 -1.632 1.00 1.82 C ATOM 48 O GLY A 4 -11.444 4.559 -1.589 1.00 1.87 O ATOM 0 H GLY A 4 -14.594 4.570 -3.377 1.00 1.61 H new ATOM 0 HA2 GLY A 4 -14.427 3.819 -0.951 1.00 2.03 H new ATOM 0 HA3 GLY A 4 -13.182 2.731 -1.532 1.00 2.03 H new ATOM 52 N GLN A 5 -13.137 6.033 -1.621 1.00 1.92 N ATOM 53 CA GLN A 5 -12.277 7.190 -1.565 1.00 1.96 C ATOM 54 C GLN A 5 -12.052 7.618 -0.117 1.00 1.53 C ATOM 55 O GLN A 5 -12.985 8.003 0.589 1.00 1.64 O ATOM 56 CB GLN A 5 -12.892 8.324 -2.384 1.00 2.55 C ATOM 57 CG GLN A 5 -12.143 9.632 -2.260 1.00 3.13 C ATOM 58 CD GLN A 5 -12.718 10.720 -3.145 1.00 3.34 C ATOM 59 OE1 GLN A 5 -13.604 11.468 -2.735 1.00 3.26 O ATOM 60 NE2 GLN A 5 -12.220 10.814 -4.368 1.00 4.17 N ATOM 0 H GLN A 5 -14.133 6.251 -1.651 1.00 1.92 H new ATOM 0 HA GLN A 5 -11.306 6.938 -1.991 1.00 1.96 H new ATOM 0 HB2 GLN A 5 -12.922 8.029 -3.433 1.00 2.55 H new ATOM 0 HB3 GLN A 5 -13.924 8.474 -2.066 1.00 2.55 H new ATOM 0 HG2 GLN A 5 -12.167 9.963 -1.222 1.00 3.13 H new ATOM 0 HG3 GLN A 5 -11.096 9.473 -2.520 1.00 3.13 H new ATOM 0 HE21 GLN A 5 -11.485 10.174 -4.670 1.00 4.17 H new ATOM 0 HE22 GLN A 5 -12.571 11.526 -5.008 1.00 4.17 H new ATOM 69 N CYS A 6 -10.810 7.507 0.322 1.00 1.29 N ATOM 70 CA CYS A 6 -10.427 7.904 1.669 1.00 0.94 C ATOM 71 C CYS A 6 -9.931 9.344 1.679 1.00 0.96 C ATOM 72 O CYS A 6 -10.304 10.144 2.536 1.00 1.88 O ATOM 73 CB CYS A 6 -9.327 6.974 2.173 1.00 0.81 C ATOM 74 SG CYS A 6 -7.985 6.734 0.960 1.00 0.61 S ATOM 0 H CYS A 6 -10.041 7.142 -0.240 1.00 1.29 H new ATOM 0 HA CYS A 6 -11.297 7.834 2.322 1.00 0.94 H new ATOM 0 HB2 CYS A 6 -8.909 7.381 3.094 1.00 0.81 H new ATOM 0 HB3 CYS A 6 -9.763 6.006 2.421 1.00 0.81 H new ATOM 79 N SER A 7 -9.092 9.658 0.708 1.00 0.91 N ATOM 80 CA SER A 7 -8.505 10.975 0.586 1.00 0.99 C ATOM 81 C SER A 7 -8.359 11.310 -0.896 1.00 1.25 C ATOM 82 O SER A 7 -9.094 10.765 -1.721 1.00 1.82 O ATOM 83 CB SER A 7 -7.147 10.988 1.300 1.00 1.55 C ATOM 84 OG SER A 7 -6.261 10.036 0.732 1.00 2.40 O ATOM 0 H SER A 7 -8.800 9.004 -0.018 1.00 0.91 H new ATOM 0 HA SER A 7 -9.140 11.729 1.051 1.00 0.99 H new ATOM 0 HB2 SER A 7 -6.707 11.983 1.233 1.00 1.55 H new ATOM 0 HB3 SER A 7 -7.288 10.772 2.359 1.00 1.55 H new ATOM 0 HG SER A 7 -6.358 9.180 1.199 1.00 2.40 H new ATOM 90 N THR A 8 -7.430 12.195 -1.242 1.00 1.48 N ATOM 91 CA THR A 8 -7.153 12.495 -2.638 1.00 2.09 C ATOM 92 C THR A 8 -6.650 11.241 -3.359 1.00 1.70 C ATOM 93 O THR A 8 -6.772 11.114 -4.580 1.00 2.23 O ATOM 94 CB THR A 8 -6.107 13.620 -2.760 1.00 2.93 C ATOM 95 OG1 THR A 8 -6.388 14.652 -1.801 1.00 3.15 O ATOM 96 CG2 THR A 8 -6.107 14.220 -4.160 1.00 3.75 C ATOM 0 H THR A 8 -6.859 12.715 -0.576 1.00 1.48 H new ATOM 0 HA THR A 8 -8.080 12.830 -3.103 1.00 2.09 H new ATOM 0 HB THR A 8 -5.124 13.190 -2.566 1.00 2.93 H new ATOM 0 HG1 THR A 8 -5.719 15.364 -1.881 1.00 3.15 H new ATOM 0 HG21 THR A 8 -5.359 15.011 -4.217 1.00 3.75 H new ATOM 0 HG22 THR A 8 -5.871 13.444 -4.888 1.00 3.75 H new ATOM 0 HG23 THR A 8 -7.091 14.635 -4.378 1.00 3.75 H new ATOM 104 N GLY A 9 -6.103 10.309 -2.583 1.00 0.97 N ATOM 105 CA GLY A 9 -5.620 9.060 -3.132 1.00 0.72 C ATOM 106 C GLY A 9 -6.727 8.033 -3.301 1.00 0.71 C ATOM 107 O GLY A 9 -7.820 8.352 -3.771 1.00 1.12 O ATOM 0 H GLY A 9 -5.986 10.401 -1.574 1.00 0.97 H new ATOM 0 HA2 GLY A 9 -5.152 9.248 -4.099 1.00 0.72 H new ATOM 0 HA3 GLY A 9 -4.848 8.654 -2.478 1.00 0.72 H new ATOM 111 N SER A 10 -6.449 6.804 -2.901 1.00 0.38 N ATOM 112 CA SER A 10 -7.382 5.703 -3.075 1.00 0.39 C ATOM 113 C SER A 10 -7.197 4.680 -1.966 1.00 0.28 C ATOM 114 O SER A 10 -6.126 4.595 -1.372 1.00 0.29 O ATOM 115 CB SER A 10 -7.160 5.039 -4.438 1.00 0.52 C ATOM 116 OG SER A 10 -8.079 3.977 -4.657 1.00 0.96 O ATOM 0 H SER A 10 -5.574 6.541 -2.448 1.00 0.38 H new ATOM 0 HA SER A 10 -8.399 6.093 -3.030 1.00 0.39 H new ATOM 0 HB2 SER A 10 -7.267 5.783 -5.228 1.00 0.52 H new ATOM 0 HB3 SER A 10 -6.141 4.657 -4.496 1.00 0.52 H new ATOM 0 HG SER A 10 -7.814 3.475 -5.456 1.00 0.96 H new ATOM 122 N ILE A 11 -8.254 3.948 -1.650 1.00 0.32 N ATOM 123 CA ILE A 11 -8.144 2.832 -0.728 1.00 0.27 C ATOM 124 C ILE A 11 -7.781 1.557 -1.477 1.00 0.20 C ATOM 125 O ILE A 11 -8.277 1.299 -2.578 1.00 0.26 O ATOM 126 CB ILE A 11 -9.446 2.612 0.075 1.00 0.39 C ATOM 127 CG1 ILE A 11 -9.671 3.781 1.022 1.00 0.50 C ATOM 128 CG2 ILE A 11 -9.403 1.307 0.856 1.00 0.40 C ATOM 129 CD1 ILE A 11 -10.865 3.602 1.929 1.00 0.96 C ATOM 0 H ILE A 11 -9.192 4.106 -2.017 1.00 0.32 H new ATOM 0 HA ILE A 11 -7.352 3.078 -0.020 1.00 0.27 H new ATOM 0 HB ILE A 11 -10.274 2.551 -0.631 1.00 0.39 H new ATOM 0 HG12 ILE A 11 -8.779 3.920 1.633 1.00 0.50 H new ATOM 0 HG13 ILE A 11 -9.802 4.692 0.437 1.00 0.50 H new ATOM 0 HG21 ILE A 11 -10.334 1.183 1.409 1.00 0.40 H new ATOM 0 HG22 ILE A 11 -9.278 0.473 0.165 1.00 0.40 H new ATOM 0 HG23 ILE A 11 -8.566 1.328 1.554 1.00 0.40 H new ATOM 0 HD11 ILE A 11 -10.964 4.473 2.576 1.00 0.96 H new ATOM 0 HD12 ILE A 11 -11.767 3.493 1.326 1.00 0.96 H new ATOM 0 HD13 ILE A 11 -10.727 2.710 2.540 1.00 0.96 H new ATOM 141 N GLN A 12 -6.901 0.778 -0.881 1.00 0.13 N ATOM 142 CA GLN A 12 -6.509 -0.507 -1.437 1.00 0.10 C ATOM 143 C GLN A 12 -6.364 -1.545 -0.338 1.00 0.11 C ATOM 144 O GLN A 12 -6.314 -1.216 0.847 1.00 0.17 O ATOM 145 CB GLN A 12 -5.211 -0.430 -2.255 1.00 0.12 C ATOM 146 CG GLN A 12 -4.172 0.537 -1.719 1.00 0.22 C ATOM 147 CD GLN A 12 -4.336 1.951 -2.234 1.00 0.39 C ATOM 148 OE1 GLN A 12 -4.102 2.902 -1.507 1.00 0.91 O ATOM 149 NE2 GLN A 12 -4.685 2.104 -3.505 1.00 0.35 N ATOM 0 H GLN A 12 -6.438 1.013 -0.003 1.00 0.13 H new ATOM 0 HA GLN A 12 -7.306 -0.805 -2.118 1.00 0.10 H new ATOM 0 HB2 GLN A 12 -4.769 -1.425 -2.302 1.00 0.12 H new ATOM 0 HB3 GLN A 12 -5.460 -0.143 -3.277 1.00 0.12 H new ATOM 0 HG2 GLN A 12 -4.225 0.547 -0.630 1.00 0.22 H new ATOM 0 HG3 GLN A 12 -3.179 0.175 -1.986 1.00 0.22 H new ATOM 0 HE21 GLN A 12 -4.873 1.286 -4.084 1.00 0.35 H new ATOM 0 HE22 GLN A 12 -4.765 3.040 -3.903 1.00 0.35 H new ATOM 158 N CYS A 13 -6.330 -2.798 -0.747 1.00 0.12 N ATOM 159 CA CYS A 13 -6.190 -3.909 0.168 1.00 0.16 C ATOM 160 C CYS A 13 -4.798 -4.502 0.035 1.00 0.13 C ATOM 161 O CYS A 13 -4.507 -5.230 -0.914 1.00 0.15 O ATOM 162 CB CYS A 13 -7.261 -4.966 -0.120 1.00 0.25 C ATOM 163 SG CYS A 13 -7.053 -6.509 0.826 1.00 0.34 S ATOM 0 H CYS A 13 -6.399 -3.073 -1.727 1.00 0.12 H new ATOM 0 HA CYS A 13 -6.326 -3.558 1.191 1.00 0.16 H new ATOM 0 HB2 CYS A 13 -8.241 -4.545 0.103 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -7.249 -5.200 -1.184 1.00 0.25 H new ATOM 168 N CYS A 14 -3.935 -4.169 0.977 1.00 0.12 N ATOM 169 CA CYS A 14 -2.549 -4.597 0.925 1.00 0.12 C ATOM 170 C CYS A 14 -2.368 -5.947 1.572 1.00 0.15 C ATOM 171 O CYS A 14 -2.765 -6.161 2.716 1.00 0.19 O ATOM 172 CB CYS A 14 -1.641 -3.587 1.611 1.00 0.14 C ATOM 173 SG CYS A 14 -1.330 -2.070 0.652 1.00 0.13 S ATOM 0 H CYS A 14 -4.171 -3.601 1.791 1.00 0.12 H new ATOM 0 HA CYS A 14 -2.275 -4.670 -0.128 1.00 0.12 H new ATOM 0 HB2 CYS A 14 -2.084 -3.311 2.568 1.00 0.14 H new ATOM 0 HB3 CYS A 14 -0.686 -4.066 1.828 1.00 0.14 H new ATOM 178 N GLN A 15 -1.772 -6.854 0.818 1.00 0.15 N ATOM 179 CA GLN A 15 -1.424 -8.163 1.321 1.00 0.16 C ATOM 180 C GLN A 15 -0.327 -8.028 2.377 1.00 0.18 C ATOM 181 O GLN A 15 -0.295 -8.771 3.359 1.00 0.23 O ATOM 182 CB GLN A 15 -1.023 -9.074 0.136 1.00 0.17 C ATOM 183 CG GLN A 15 0.398 -9.630 0.159 1.00 0.23 C ATOM 184 CD GLN A 15 0.604 -10.718 1.202 1.00 0.31 C ATOM 185 OE1 GLN A 15 1.693 -10.866 1.754 1.00 0.38 O ATOM 186 NE2 GLN A 15 -0.437 -11.494 1.469 1.00 0.33 N ATOM 0 H GLN A 15 -1.518 -6.700 -0.158 1.00 0.15 H new ATOM 0 HA GLN A 15 -2.277 -8.633 1.811 1.00 0.16 H new ATOM 0 HB2 GLN A 15 -1.718 -9.913 0.100 1.00 0.17 H new ATOM 0 HB3 GLN A 15 -1.155 -8.511 -0.788 1.00 0.17 H new ATOM 0 HG2 GLN A 15 0.640 -10.030 -0.826 1.00 0.23 H new ATOM 0 HG3 GLN A 15 1.096 -8.815 0.352 1.00 0.23 H new ATOM 0 HE21 GLN A 15 -1.324 -11.340 0.990 1.00 0.33 H new ATOM 0 HE22 GLN A 15 -0.351 -12.245 2.153 1.00 0.33 H new ATOM 195 N ASN A 16 0.545 -7.047 2.186 1.00 0.17 N ATOM 196 CA ASN A 16 1.629 -6.791 3.118 1.00 0.21 C ATOM 197 C ASN A 16 1.816 -5.294 3.320 1.00 0.21 C ATOM 198 O ASN A 16 2.208 -4.581 2.400 1.00 0.40 O ATOM 199 CB ASN A 16 2.923 -7.374 2.579 1.00 0.29 C ATOM 200 CG ASN A 16 3.794 -7.987 3.653 1.00 0.62 C ATOM 201 OD1 ASN A 16 3.785 -7.563 4.808 1.00 1.03 O ATOM 202 ND2 ASN A 16 4.545 -9.005 3.273 1.00 0.75 N ATOM 0 H ASN A 16 0.520 -6.413 1.387 1.00 0.17 H new ATOM 0 HA ASN A 16 1.377 -7.257 4.070 1.00 0.21 H new ATOM 0 HB2 ASN A 16 2.689 -8.133 1.833 1.00 0.29 H new ATOM 0 HB3 ASN A 16 3.483 -6.589 2.070 1.00 0.29 H new ATOM 0 HD21 ASN A 16 5.149 -9.473 3.948 1.00 0.75 H new ATOM 0 HD22 ASN A 16 4.521 -9.323 2.304 1.00 0.75 H new ATOM 209 N VAL A 17 1.531 -4.821 4.514 1.00 0.16 N ATOM 210 CA VAL A 17 1.730 -3.415 4.840 1.00 0.13 C ATOM 211 C VAL A 17 3.016 -3.251 5.637 1.00 0.14 C ATOM 212 O VAL A 17 3.075 -3.589 6.821 1.00 0.18 O ATOM 213 CB VAL A 17 0.543 -2.825 5.634 1.00 0.14 C ATOM 214 CG1 VAL A 17 0.762 -1.343 5.905 1.00 0.17 C ATOM 215 CG2 VAL A 17 -0.759 -3.042 4.885 1.00 0.14 C ATOM 0 H VAL A 17 1.160 -5.385 5.279 1.00 0.16 H new ATOM 0 HA VAL A 17 1.799 -2.866 3.901 1.00 0.13 H new ATOM 0 HB VAL A 17 0.480 -3.343 6.591 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.085 -0.946 6.465 1.00 0.17 H new ATOM 0 HG12 VAL A 17 1.675 -1.210 6.485 1.00 0.17 H new ATOM 0 HG13 VAL A 17 0.853 -0.810 4.959 1.00 0.17 H new ATOM 0 HG21 VAL A 17 -1.584 -2.620 5.459 1.00 0.14 H new ATOM 0 HG22 VAL A 17 -0.706 -2.552 3.913 1.00 0.14 H new ATOM 0 HG23 VAL A 17 -0.924 -4.110 4.744 1.00 0.14 H new ATOM 225 N VAL A 18 4.049 -2.750 4.978 1.00 0.12 N ATOM 226 CA VAL A 18 5.367 -2.657 5.584 1.00 0.13 C ATOM 227 C VAL A 18 5.956 -1.261 5.424 1.00 0.12 C ATOM 228 O VAL A 18 5.783 -0.618 4.392 1.00 0.12 O ATOM 229 CB VAL A 18 6.339 -3.688 4.964 1.00 0.13 C ATOM 230 CG1 VAL A 18 5.921 -5.105 5.320 1.00 0.18 C ATOM 231 CG2 VAL A 18 6.413 -3.524 3.453 1.00 0.13 C ATOM 0 H VAL A 18 3.999 -2.401 4.021 1.00 0.12 H new ATOM 0 HA VAL A 18 5.242 -2.871 6.646 1.00 0.13 H new ATOM 0 HB VAL A 18 7.330 -3.505 5.379 1.00 0.13 H new ATOM 0 HG11 VAL A 18 6.619 -5.813 4.873 1.00 0.18 H new ATOM 0 HG12 VAL A 18 5.926 -5.225 6.403 1.00 0.18 H new ATOM 0 HG13 VAL A 18 4.918 -5.295 4.939 1.00 0.18 H new ATOM 0 HG21 VAL A 18 7.103 -4.260 3.040 1.00 0.13 H new ATOM 0 HG22 VAL A 18 5.423 -3.673 3.022 1.00 0.13 H new ATOM 0 HG23 VAL A 18 6.766 -2.521 3.213 1.00 0.13 H new ATOM 241 N PRO A 19 6.634 -0.755 6.461 1.00 0.14 N ATOM 242 CA PRO A 19 7.390 0.493 6.368 1.00 0.15 C ATOM 243 C PRO A 19 8.474 0.403 5.301 1.00 0.12 C ATOM 244 O PRO A 19 9.149 -0.617 5.172 1.00 0.10 O ATOM 245 CB PRO A 19 8.005 0.660 7.759 1.00 0.17 C ATOM 246 CG PRO A 19 7.182 -0.200 8.657 1.00 0.19 C ATOM 247 CD PRO A 19 6.693 -1.341 7.810 1.00 0.17 C ATOM 0 HA PRO A 19 6.763 1.338 6.082 1.00 0.15 H new ATOM 0 HB2 PRO A 19 9.050 0.351 7.767 1.00 0.17 H new ATOM 0 HB3 PRO A 19 7.978 1.702 8.079 1.00 0.17 H new ATOM 0 HG2 PRO A 19 7.773 -0.564 9.497 1.00 0.19 H new ATOM 0 HG3 PRO A 19 6.346 0.361 9.075 1.00 0.19 H new ATOM 0 HD2 PRO A 19 7.372 -2.193 7.850 1.00 0.17 H new ATOM 0 HD3 PRO A 19 5.716 -1.697 8.138 1.00 0.17 H new ATOM 255 N GLY A 20 8.628 1.473 4.533 1.00 0.14 N ATOM 256 CA GLY A 20 9.576 1.481 3.432 1.00 0.13 C ATOM 257 C GLY A 20 11.014 1.305 3.882 1.00 0.14 C ATOM 258 O GLY A 20 11.850 0.834 3.118 1.00 0.18 O ATOM 0 H GLY A 20 8.110 2.343 4.653 1.00 0.14 H new ATOM 0 HA2 GLY A 20 9.320 0.684 2.734 1.00 0.13 H new ATOM 0 HA3 GLY A 20 9.484 2.421 2.889 1.00 0.13 H new ATOM 262 N ASP A 21 11.304 1.693 5.118 1.00 0.17 N ATOM 263 CA ASP A 21 12.638 1.516 5.686 1.00 0.21 C ATOM 264 C ASP A 21 12.661 0.301 6.614 1.00 0.19 C ATOM 265 O ASP A 21 13.647 0.032 7.294 1.00 0.23 O ATOM 266 CB ASP A 21 13.067 2.780 6.435 1.00 0.31 C ATOM 267 CG ASP A 21 14.489 2.708 6.960 1.00 1.23 C ATOM 268 OD1 ASP A 21 14.674 2.772 8.195 1.00 1.22 O ATOM 269 OD2 ASP A 21 15.424 2.574 6.141 1.00 2.27 O ATOM 0 H ASP A 21 10.633 2.133 5.748 1.00 0.17 H new ATOM 0 HA ASP A 21 13.346 1.341 4.876 1.00 0.21 H new ATOM 0 HB2 ASP A 21 12.975 3.638 5.769 1.00 0.31 H new ATOM 0 HB3 ASP A 21 12.386 2.949 7.269 1.00 0.31 H new ATOM 274 N SER A 22 11.568 -0.446 6.622 1.00 0.16 N ATOM 275 CA SER A 22 11.495 -1.677 7.392 1.00 0.17 C ATOM 276 C SER A 22 12.365 -2.734 6.741 1.00 0.16 C ATOM 277 O SER A 22 12.676 -2.624 5.557 1.00 0.14 O ATOM 278 CB SER A 22 10.047 -2.172 7.474 1.00 0.18 C ATOM 279 OG SER A 22 9.960 -3.467 8.034 1.00 0.24 O ATOM 0 H SER A 22 10.719 -0.221 6.103 1.00 0.16 H new ATOM 0 HA SER A 22 11.853 -1.483 8.403 1.00 0.17 H new ATOM 0 HB2 SER A 22 9.460 -1.477 8.075 1.00 0.18 H new ATOM 0 HB3 SER A 22 9.609 -2.179 6.476 1.00 0.18 H new ATOM 0 HG SER A 22 9.021 -3.745 8.070 1.00 0.24 H new ATOM 285 N ASP A 23 12.761 -3.747 7.492 1.00 0.20 N ATOM 286 CA ASP A 23 13.543 -4.841 6.928 1.00 0.22 C ATOM 287 C ASP A 23 12.828 -5.412 5.717 1.00 0.20 C ATOM 288 O ASP A 23 13.433 -5.635 4.664 1.00 0.22 O ATOM 289 CB ASP A 23 13.764 -5.949 7.959 1.00 0.29 C ATOM 290 CG ASP A 23 14.758 -5.567 9.035 1.00 0.59 C ATOM 291 OD1 ASP A 23 14.350 -4.916 10.019 1.00 1.06 O ATOM 292 OD2 ASP A 23 15.950 -5.922 8.909 1.00 0.61 O ATOM 0 H ASP A 23 12.557 -3.838 8.487 1.00 0.20 H new ATOM 0 HA ASP A 23 14.515 -4.446 6.632 1.00 0.22 H new ATOM 0 HB2 ASP A 23 12.811 -6.199 8.425 1.00 0.29 H new ATOM 0 HB3 ASP A 23 14.115 -6.846 7.450 1.00 0.29 H new ATOM 297 N LEU A 24 11.525 -5.600 5.865 1.00 0.20 N ATOM 298 CA LEU A 24 10.707 -6.105 4.776 1.00 0.21 C ATOM 299 C LEU A 24 10.593 -5.068 3.673 1.00 0.17 C ATOM 300 O LEU A 24 11.030 -5.305 2.550 1.00 0.18 O ATOM 301 CB LEU A 24 9.315 -6.497 5.271 1.00 0.26 C ATOM 302 CG LEU A 24 9.108 -7.994 5.514 1.00 0.35 C ATOM 303 CD1 LEU A 24 7.732 -8.256 6.104 1.00 1.03 C ATOM 304 CD2 LEU A 24 9.284 -8.768 4.214 1.00 1.11 C ATOM 0 H LEU A 24 11.014 -5.411 6.727 1.00 0.20 H new ATOM 0 HA LEU A 24 11.193 -6.995 4.377 1.00 0.21 H new ATOM 0 HB2 LEU A 24 9.113 -5.963 6.200 1.00 0.26 H new ATOM 0 HB3 LEU A 24 8.579 -6.158 4.542 1.00 0.26 H new ATOM 0 HG LEU A 24 9.857 -8.335 6.228 1.00 0.35 H new ATOM 0 HD11 LEU A 24 7.605 -9.326 6.269 1.00 1.03 H new ATOM 0 HD12 LEU A 24 7.637 -7.728 7.053 1.00 1.03 H new ATOM 0 HD13 LEU A 24 6.967 -7.902 5.413 1.00 1.03 H new ATOM 0 HD21 LEU A 24 9.134 -9.831 4.401 1.00 1.11 H new ATOM 0 HD22 LEU A 24 8.554 -8.422 3.483 1.00 1.11 H new ATOM 0 HD23 LEU A 24 10.290 -8.606 3.827 1.00 1.11 H new ATOM 316 N GLY A 25 10.042 -3.907 4.016 1.00 0.14 N ATOM 317 CA GLY A 25 9.802 -2.863 3.033 1.00 0.12 C ATOM 318 C GLY A 25 11.038 -2.495 2.239 1.00 0.12 C ATOM 319 O GLY A 25 10.961 -2.265 1.034 1.00 0.16 O ATOM 0 H GLY A 25 9.755 -3.669 4.965 1.00 0.14 H new ATOM 0 HA2 GLY A 25 9.022 -3.192 2.347 1.00 0.12 H new ATOM 0 HA3 GLY A 25 9.426 -1.975 3.541 1.00 0.12 H new ATOM 323 N THR A 26 12.182 -2.475 2.906 1.00 0.13 N ATOM 324 CA THR A 26 13.431 -2.104 2.264 1.00 0.16 C ATOM 325 C THR A 26 13.831 -3.152 1.242 1.00 0.20 C ATOM 326 O THR A 26 14.148 -2.823 0.103 1.00 0.24 O ATOM 327 CB THR A 26 14.564 -1.918 3.297 1.00 0.18 C ATOM 328 OG1 THR A 26 14.193 -0.918 4.252 1.00 0.20 O ATOM 329 CG2 THR A 26 15.868 -1.508 2.635 1.00 0.23 C ATOM 0 H THR A 26 12.270 -2.712 3.894 1.00 0.13 H new ATOM 0 HA THR A 26 13.273 -1.151 1.759 1.00 0.16 H new ATOM 0 HB THR A 26 14.716 -2.877 3.792 1.00 0.18 H new ATOM 0 HG1 THR A 26 13.756 -1.344 5.019 1.00 0.20 H new ATOM 0 HG21 THR A 26 16.640 -1.387 3.395 1.00 0.23 H new ATOM 0 HG22 THR A 26 16.174 -2.278 1.926 1.00 0.23 H new ATOM 0 HG23 THR A 26 15.727 -0.564 2.108 1.00 0.23 H new ATOM 337 N LEU A 27 13.776 -4.413 1.643 1.00 0.21 N ATOM 338 CA LEU A 27 14.107 -5.515 0.754 1.00 0.28 C ATOM 339 C LEU A 27 13.129 -5.541 -0.418 1.00 0.29 C ATOM 340 O LEU A 27 13.515 -5.788 -1.561 1.00 0.34 O ATOM 341 CB LEU A 27 14.068 -6.839 1.540 1.00 0.33 C ATOM 342 CG LEU A 27 14.687 -8.069 0.854 1.00 0.57 C ATOM 343 CD1 LEU A 27 13.768 -8.620 -0.225 1.00 1.01 C ATOM 344 CD2 LEU A 27 16.049 -7.729 0.267 1.00 1.00 C ATOM 0 H LEU A 27 13.504 -4.699 2.583 1.00 0.21 H new ATOM 0 HA LEU A 27 15.113 -5.381 0.356 1.00 0.28 H new ATOM 0 HB2 LEU A 27 14.580 -6.686 2.490 1.00 0.33 H new ATOM 0 HB3 LEU A 27 13.027 -7.066 1.772 1.00 0.33 H new ATOM 0 HG LEU A 27 14.817 -8.841 1.613 1.00 0.57 H new ATOM 0 HD11 LEU A 27 14.234 -9.488 -0.691 1.00 1.01 H new ATOM 0 HD12 LEU A 27 12.818 -8.913 0.221 1.00 1.01 H new ATOM 0 HD13 LEU A 27 13.593 -7.854 -0.980 1.00 1.01 H new ATOM 0 HD21 LEU A 27 16.469 -8.613 -0.213 1.00 1.00 H new ATOM 0 HD22 LEU A 27 15.939 -6.933 -0.470 1.00 1.00 H new ATOM 0 HD23 LEU A 27 16.716 -7.397 1.063 1.00 1.00 H new ATOM 356 N LEU A 28 11.870 -5.237 -0.131 1.00 0.27 N ATOM 357 CA LEU A 28 10.825 -5.319 -1.139 1.00 0.31 C ATOM 358 C LEU A 28 11.007 -4.240 -2.197 1.00 0.32 C ATOM 359 O LEU A 28 10.897 -4.512 -3.393 1.00 0.37 O ATOM 360 CB LEU A 28 9.433 -5.204 -0.505 1.00 0.31 C ATOM 361 CG LEU A 28 9.116 -6.221 0.600 1.00 0.31 C ATOM 362 CD1 LEU A 28 7.623 -6.259 0.879 1.00 0.34 C ATOM 363 CD2 LEU A 28 9.637 -7.604 0.242 1.00 0.37 C ATOM 0 H LEU A 28 11.550 -4.933 0.788 1.00 0.27 H new ATOM 0 HA LEU A 28 10.906 -6.295 -1.617 1.00 0.31 H new ATOM 0 HB2 LEU A 28 9.324 -4.201 -0.092 1.00 0.31 H new ATOM 0 HB3 LEU A 28 8.686 -5.307 -1.292 1.00 0.31 H new ATOM 0 HG LEU A 28 9.626 -5.901 1.508 1.00 0.31 H new ATOM 0 HD11 LEU A 28 7.418 -6.986 1.665 1.00 0.34 H new ATOM 0 HD12 LEU A 28 7.288 -5.273 1.200 1.00 0.34 H new ATOM 0 HD13 LEU A 28 7.091 -6.546 -0.028 1.00 0.34 H new ATOM 0 HD21 LEU A 28 9.397 -8.302 1.044 1.00 0.37 H new ATOM 0 HD22 LEU A 28 9.170 -7.940 -0.684 1.00 0.37 H new ATOM 0 HD23 LEU A 28 10.718 -7.562 0.109 1.00 0.37 H new ATOM 375 N LEU A 29 11.309 -3.020 -1.767 1.00 0.30 N ATOM 376 CA LEU A 29 11.470 -1.923 -2.709 1.00 0.32 C ATOM 377 C LEU A 29 12.862 -1.923 -3.321 1.00 0.36 C ATOM 378 O LEU A 29 13.078 -1.347 -4.384 1.00 0.41 O ATOM 379 CB LEU A 29 11.141 -0.569 -2.054 1.00 0.30 C ATOM 380 CG LEU A 29 12.007 -0.115 -0.870 1.00 0.29 C ATOM 381 CD1 LEU A 29 13.377 0.363 -1.324 1.00 0.31 C ATOM 382 CD2 LEU A 29 11.297 0.995 -0.119 1.00 0.31 C ATOM 0 H LEU A 29 11.445 -2.769 -0.788 1.00 0.30 H new ATOM 0 HA LEU A 29 10.756 -2.074 -3.519 1.00 0.32 H new ATOM 0 HB2 LEU A 29 11.200 0.199 -2.825 1.00 0.30 H new ATOM 0 HB3 LEU A 29 10.105 -0.603 -1.717 1.00 0.30 H new ATOM 0 HG LEU A 29 12.157 -0.972 -0.214 1.00 0.29 H new ATOM 0 HD11 LEU A 29 13.959 0.676 -0.457 1.00 0.31 H new ATOM 0 HD12 LEU A 29 13.895 -0.449 -1.835 1.00 0.31 H new ATOM 0 HD13 LEU A 29 13.261 1.205 -2.006 1.00 0.31 H new ATOM 0 HD21 LEU A 29 11.912 1.317 0.721 1.00 0.31 H new ATOM 0 HD22 LEU A 29 11.129 1.838 -0.789 1.00 0.31 H new ATOM 0 HD23 LEU A 29 10.339 0.629 0.251 1.00 0.31 H new ATOM 394 N ASP A 30 13.802 -2.563 -2.644 1.00 0.34 N ATOM 395 CA ASP A 30 15.150 -2.743 -3.179 1.00 0.39 C ATOM 396 C ASP A 30 15.093 -3.656 -4.390 1.00 0.43 C ATOM 397 O ASP A 30 15.821 -3.479 -5.367 1.00 0.49 O ATOM 398 CB ASP A 30 16.069 -3.351 -2.119 1.00 0.41 C ATOM 399 CG ASP A 30 17.510 -3.442 -2.573 1.00 0.54 C ATOM 400 OD1 ASP A 30 17.896 -4.488 -3.137 1.00 0.66 O ATOM 401 OD2 ASP A 30 18.260 -2.463 -2.383 1.00 0.63 O ATOM 0 H ASP A 30 13.659 -2.969 -1.719 1.00 0.34 H new ATOM 0 HA ASP A 30 15.548 -1.771 -3.469 1.00 0.39 H new ATOM 0 HB2 ASP A 30 16.016 -2.750 -1.211 1.00 0.41 H new ATOM 0 HB3 ASP A 30 15.710 -4.348 -1.862 1.00 0.41 H new ATOM 406 N GLU A 31 14.186 -4.615 -4.319 1.00 0.43 N ATOM 407 CA GLU A 31 13.976 -5.571 -5.392 1.00 0.49 C ATOM 408 C GLU A 31 13.250 -4.883 -6.540 1.00 0.51 C ATOM 409 O GLU A 31 13.470 -5.176 -7.715 1.00 0.62 O ATOM 410 CB GLU A 31 13.142 -6.741 -4.865 1.00 0.52 C ATOM 411 CG GLU A 31 13.637 -8.108 -5.301 1.00 0.97 C ATOM 412 CD GLU A 31 13.632 -8.291 -6.801 1.00 1.46 C ATOM 413 OE1 GLU A 31 12.566 -8.620 -7.359 1.00 1.76 O ATOM 414 OE2 GLU A 31 14.691 -8.097 -7.433 1.00 2.07 O ATOM 0 H GLU A 31 13.574 -4.753 -3.515 1.00 0.43 H new ATOM 0 HA GLU A 31 14.933 -5.948 -5.751 1.00 0.49 H new ATOM 0 HB2 GLU A 31 13.131 -6.702 -3.776 1.00 0.52 H new ATOM 0 HB3 GLU A 31 12.112 -6.617 -5.199 1.00 0.52 H new ATOM 0 HG2 GLU A 31 14.650 -8.257 -4.926 1.00 0.97 H new ATOM 0 HG3 GLU A 31 13.012 -8.876 -4.845 1.00 0.97 H new ATOM 421 N LEU A 32 12.399 -3.941 -6.175 1.00 0.52 N ATOM 422 CA LEU A 32 11.562 -3.233 -7.129 1.00 0.58 C ATOM 423 C LEU A 32 12.253 -1.987 -7.682 1.00 0.61 C ATOM 424 O LEU A 32 11.778 -1.368 -8.633 1.00 0.71 O ATOM 425 CB LEU A 32 10.249 -2.856 -6.451 1.00 0.56 C ATOM 426 CG LEU A 32 9.303 -4.026 -6.173 1.00 0.57 C ATOM 427 CD1 LEU A 32 8.086 -3.550 -5.401 1.00 0.57 C ATOM 428 CD2 LEU A 32 8.878 -4.701 -7.469 1.00 0.64 C ATOM 0 H LEU A 32 12.268 -3.644 -5.208 1.00 0.52 H new ATOM 0 HA LEU A 32 11.371 -3.892 -7.976 1.00 0.58 H new ATOM 0 HB2 LEU A 32 10.475 -2.359 -5.507 1.00 0.56 H new ATOM 0 HB3 LEU A 32 9.730 -2.130 -7.077 1.00 0.56 H new ATOM 0 HG LEU A 32 9.837 -4.758 -5.568 1.00 0.57 H new ATOM 0 HD11 LEU A 32 7.423 -4.394 -5.211 1.00 0.57 H new ATOM 0 HD12 LEU A 32 8.403 -3.117 -4.452 1.00 0.57 H new ATOM 0 HD13 LEU A 32 7.557 -2.797 -5.985 1.00 0.57 H new ATOM 0 HD21 LEU A 32 8.206 -5.529 -7.244 1.00 0.64 H new ATOM 0 HD22 LEU A 32 8.364 -3.979 -8.104 1.00 0.64 H new ATOM 0 HD23 LEU A 32 9.759 -5.079 -7.988 1.00 0.64 H new ATOM 440 N GLY A 33 13.375 -1.626 -7.068 1.00 0.57 N ATOM 441 CA GLY A 33 14.148 -0.480 -7.511 1.00 0.62 C ATOM 442 C GLY A 33 13.413 0.830 -7.324 1.00 0.63 C ATOM 443 O GLY A 33 13.426 1.683 -8.208 1.00 0.75 O ATOM 0 H GLY A 33 13.766 -2.113 -6.262 1.00 0.57 H new ATOM 0 HA2 GLY A 33 15.088 -0.446 -6.960 1.00 0.62 H new ATOM 0 HA3 GLY A 33 14.400 -0.603 -8.564 1.00 0.62 H new ATOM 447 N ILE A 34 12.782 0.997 -6.171 1.00 0.54 N ATOM 448 CA ILE A 34 11.975 2.184 -5.911 1.00 0.58 C ATOM 449 C ILE A 34 12.800 3.285 -5.257 1.00 0.65 C ATOM 450 O ILE A 34 13.489 3.054 -4.259 1.00 0.68 O ATOM 451 CB ILE A 34 10.773 1.865 -4.998 1.00 0.51 C ATOM 452 CG1 ILE A 34 9.978 0.682 -5.557 1.00 0.55 C ATOM 453 CG2 ILE A 34 9.878 3.091 -4.853 1.00 0.58 C ATOM 454 CD1 ILE A 34 8.872 0.212 -4.640 1.00 0.56 C ATOM 0 H ILE A 34 12.812 0.328 -5.401 1.00 0.54 H new ATOM 0 HA ILE A 34 11.612 2.526 -6.880 1.00 0.58 H new ATOM 0 HB ILE A 34 11.147 1.592 -4.011 1.00 0.51 H new ATOM 0 HG12 ILE A 34 9.547 0.965 -6.517 1.00 0.55 H new ATOM 0 HG13 ILE A 34 10.660 -0.147 -5.746 1.00 0.55 H new ATOM 0 HG21 ILE A 34 9.034 2.851 -4.206 1.00 0.58 H new ATOM 0 HG22 ILE A 34 10.450 3.909 -4.415 1.00 0.58 H new ATOM 0 HG23 ILE A 34 9.509 3.391 -5.834 1.00 0.58 H new ATOM 0 HD11 ILE A 34 8.351 -0.628 -5.099 1.00 0.56 H new ATOM 0 HD12 ILE A 34 9.298 -0.103 -3.687 1.00 0.56 H new ATOM 0 HD13 ILE A 34 8.168 1.027 -4.471 1.00 0.56 H new ATOM 466 N VAL A 35 12.733 4.481 -5.828 1.00 0.77 N ATOM 467 CA VAL A 35 13.351 5.647 -5.221 1.00 0.89 C ATOM 468 C VAL A 35 12.400 6.266 -4.196 1.00 0.74 C ATOM 469 O VAL A 35 11.261 6.617 -4.513 1.00 0.90 O ATOM 470 CB VAL A 35 13.769 6.701 -6.279 1.00 1.24 C ATOM 471 CG1 VAL A 35 12.596 7.111 -7.155 1.00 1.84 C ATOM 472 CG2 VAL A 35 14.382 7.919 -5.606 1.00 1.87 C ATOM 0 H VAL A 35 12.256 4.666 -6.711 1.00 0.77 H new ATOM 0 HA VAL A 35 14.260 5.318 -4.719 1.00 0.89 H new ATOM 0 HB VAL A 35 14.518 6.242 -6.924 1.00 1.24 H new ATOM 0 HG11 VAL A 35 12.927 7.850 -7.884 1.00 1.84 H new ATOM 0 HG12 VAL A 35 12.208 6.236 -7.676 1.00 1.84 H new ATOM 0 HG13 VAL A 35 11.811 7.541 -6.533 1.00 1.84 H new ATOM 0 HG21 VAL A 35 14.669 8.648 -6.364 1.00 1.87 H new ATOM 0 HG22 VAL A 35 13.653 8.367 -4.930 1.00 1.87 H new ATOM 0 HG23 VAL A 35 15.264 7.617 -5.041 1.00 1.87 H new ATOM 482 N LEU A 36 12.863 6.368 -2.962 1.00 0.70 N ATOM 483 CA LEU A 36 12.033 6.863 -1.876 1.00 0.66 C ATOM 484 C LEU A 36 12.236 8.357 -1.651 1.00 0.68 C ATOM 485 O LEU A 36 13.362 8.845 -1.586 1.00 0.84 O ATOM 486 CB LEU A 36 12.318 6.080 -0.584 1.00 0.86 C ATOM 487 CG LEU A 36 13.795 5.788 -0.298 1.00 1.90 C ATOM 488 CD1 LEU A 36 14.426 6.913 0.499 1.00 2.62 C ATOM 489 CD2 LEU A 36 13.942 4.455 0.416 1.00 2.76 C ATOM 0 H LEU A 36 13.812 6.114 -2.686 1.00 0.70 H new ATOM 0 HA LEU A 36 10.991 6.710 -2.158 1.00 0.66 H new ATOM 0 HB2 LEU A 36 11.908 6.640 0.257 1.00 0.86 H new ATOM 0 HB3 LEU A 36 11.781 5.133 -0.629 1.00 0.86 H new ATOM 0 HG LEU A 36 14.325 5.723 -1.248 1.00 1.90 H new ATOM 0 HD11 LEU A 36 15.474 6.681 0.689 1.00 2.62 H new ATOM 0 HD12 LEU A 36 14.356 7.843 -0.066 1.00 2.62 H new ATOM 0 HD13 LEU A 36 13.902 7.025 1.448 1.00 2.62 H new ATOM 0 HD21 LEU A 36 14.997 4.262 0.612 1.00 2.76 H new ATOM 0 HD22 LEU A 36 13.397 4.486 1.359 1.00 2.76 H new ATOM 0 HD23 LEU A 36 13.538 3.660 -0.211 1.00 2.76 H new ATOM 501 N GLU A 37 11.130 9.077 -1.564 1.00 0.72 N ATOM 502 CA GLU A 37 11.154 10.486 -1.205 1.00 0.84 C ATOM 503 C GLU A 37 11.033 10.611 0.307 1.00 0.76 C ATOM 504 O GLU A 37 11.528 11.557 0.919 1.00 0.88 O ATOM 505 CB GLU A 37 10.003 11.231 -1.885 1.00 1.02 C ATOM 506 CG GLU A 37 9.975 11.081 -3.399 1.00 1.42 C ATOM 507 CD GLU A 37 11.208 11.647 -4.074 1.00 2.06 C ATOM 508 OE1 GLU A 37 11.340 12.885 -4.141 1.00 2.65 O ATOM 509 OE2 GLU A 37 12.036 10.857 -4.571 1.00 2.58 O ATOM 0 H GLU A 37 10.196 8.705 -1.739 1.00 0.72 H new ATOM 0 HA GLU A 37 12.092 10.929 -1.539 1.00 0.84 H new ATOM 0 HB2 GLU A 37 9.059 10.869 -1.477 1.00 1.02 H new ATOM 0 HB3 GLU A 37 10.073 12.290 -1.637 1.00 1.02 H new ATOM 0 HG2 GLU A 37 9.882 10.025 -3.652 1.00 1.42 H new ATOM 0 HG3 GLU A 37 9.090 11.582 -3.792 1.00 1.42 H new ATOM 516 N ASP A 38 10.360 9.632 0.896 1.00 0.61 N ATOM 517 CA ASP A 38 10.220 9.519 2.329 1.00 0.54 C ATOM 518 C ASP A 38 10.177 8.042 2.666 1.00 0.41 C ATOM 519 O ASP A 38 9.167 7.378 2.441 1.00 0.39 O ATOM 520 CB ASP A 38 8.943 10.210 2.817 1.00 0.60 C ATOM 521 CG ASP A 38 8.791 10.147 4.325 1.00 1.20 C ATOM 522 OD1 ASP A 38 9.001 11.183 4.989 1.00 1.20 O ATOM 523 OD2 ASP A 38 8.466 9.064 4.852 1.00 2.29 O ATOM 0 H ASP A 38 9.892 8.887 0.379 1.00 0.61 H new ATOM 0 HA ASP A 38 11.059 10.007 2.824 1.00 0.54 H new ATOM 0 HB2 ASP A 38 8.953 11.253 2.499 1.00 0.60 H new ATOM 0 HB3 ASP A 38 8.078 9.742 2.348 1.00 0.60 H new ATOM 528 N PRO A 39 11.281 7.496 3.173 1.00 0.41 N ATOM 529 CA PRO A 39 11.397 6.061 3.415 1.00 0.40 C ATOM 530 C PRO A 39 10.613 5.609 4.638 1.00 0.32 C ATOM 531 O PRO A 39 10.572 4.423 4.958 1.00 0.35 O ATOM 532 CB PRO A 39 12.894 5.866 3.649 1.00 0.57 C ATOM 533 CG PRO A 39 13.364 7.170 4.196 1.00 0.64 C ATOM 534 CD PRO A 39 12.503 8.227 3.557 1.00 0.57 C ATOM 0 HA PRO A 39 10.994 5.477 2.587 1.00 0.40 H new ATOM 0 HB2 PRO A 39 13.083 5.052 4.349 1.00 0.57 H new ATOM 0 HB3 PRO A 39 13.410 5.616 2.722 1.00 0.57 H new ATOM 0 HG2 PRO A 39 13.269 7.194 5.282 1.00 0.64 H new ATOM 0 HG3 PRO A 39 14.417 7.333 3.965 1.00 0.64 H new ATOM 0 HD2 PRO A 39 12.283 9.038 4.251 1.00 0.57 H new ATOM 0 HD3 PRO A 39 12.992 8.672 2.691 1.00 0.57 H new ATOM 542 N THR A 40 9.971 6.548 5.310 1.00 0.30 N ATOM 543 CA THR A 40 9.308 6.226 6.564 1.00 0.31 C ATOM 544 C THR A 40 7.814 6.027 6.358 1.00 0.28 C ATOM 545 O THR A 40 7.066 5.810 7.310 1.00 0.48 O ATOM 546 CB THR A 40 9.572 7.287 7.659 1.00 0.42 C ATOM 547 OG1 THR A 40 9.117 8.587 7.255 1.00 0.51 O ATOM 548 CG2 THR A 40 11.056 7.357 7.983 1.00 0.49 C ATOM 0 H THR A 40 9.894 7.522 5.017 1.00 0.30 H new ATOM 0 HA THR A 40 9.738 5.288 6.914 1.00 0.31 H new ATOM 0 HB THR A 40 9.014 6.983 8.545 1.00 0.42 H new ATOM 0 HG1 THR A 40 8.794 8.548 6.330 1.00 0.51 H new ATOM 0 HG21 THR A 40 11.225 8.108 8.755 1.00 0.49 H new ATOM 0 HG22 THR A 40 11.396 6.385 8.341 1.00 0.49 H new ATOM 0 HG23 THR A 40 11.612 7.628 7.085 1.00 0.49 H new ATOM 556 N VAL A 41 7.391 6.083 5.102 1.00 0.20 N ATOM 557 CA VAL A 41 6.005 5.820 4.752 1.00 0.17 C ATOM 558 C VAL A 41 5.733 4.319 4.742 1.00 0.14 C ATOM 559 O VAL A 41 6.661 3.504 4.718 1.00 0.15 O ATOM 560 CB VAL A 41 5.640 6.406 3.368 1.00 0.20 C ATOM 561 CG1 VAL A 41 5.900 7.901 3.330 1.00 0.24 C ATOM 562 CG2 VAL A 41 6.399 5.702 2.252 1.00 0.23 C ATOM 0 H VAL A 41 7.991 6.309 4.308 1.00 0.20 H new ATOM 0 HA VAL A 41 5.388 6.305 5.508 1.00 0.17 H new ATOM 0 HB VAL A 41 4.575 6.237 3.207 1.00 0.20 H new ATOM 0 HG11 VAL A 41 5.636 8.291 2.347 1.00 0.24 H new ATOM 0 HG12 VAL A 41 5.296 8.395 4.091 1.00 0.24 H new ATOM 0 HG13 VAL A 41 6.955 8.092 3.525 1.00 0.24 H new ATOM 0 HG21 VAL A 41 6.120 6.137 1.292 1.00 0.23 H new ATOM 0 HG22 VAL A 41 7.471 5.824 2.408 1.00 0.23 H new ATOM 0 HG23 VAL A 41 6.150 4.641 2.256 1.00 0.23 H new ATOM 572 N LEU A 42 4.461 3.962 4.770 1.00 0.14 N ATOM 573 CA LEU A 42 4.056 2.572 4.689 1.00 0.14 C ATOM 574 C LEU A 42 3.816 2.185 3.243 1.00 0.12 C ATOM 575 O LEU A 42 2.981 2.785 2.561 1.00 0.15 O ATOM 576 CB LEU A 42 2.784 2.329 5.508 1.00 0.16 C ATOM 577 CG LEU A 42 2.953 2.412 7.025 1.00 0.17 C ATOM 578 CD1 LEU A 42 1.601 2.354 7.719 1.00 0.20 C ATOM 579 CD2 LEU A 42 3.845 1.284 7.518 1.00 0.22 C ATOM 0 H LEU A 42 3.687 4.622 4.849 1.00 0.14 H new ATOM 0 HA LEU A 42 4.857 1.957 5.099 1.00 0.14 H new ATOM 0 HB2 LEU A 42 2.032 3.057 5.203 1.00 0.16 H new ATOM 0 HB3 LEU A 42 2.394 1.343 5.257 1.00 0.16 H new ATOM 0 HG LEU A 42 3.424 3.365 7.267 1.00 0.17 H new ATOM 0 HD11 LEU A 42 1.743 2.414 8.798 1.00 0.20 H new ATOM 0 HD12 LEU A 42 0.985 3.190 7.387 1.00 0.20 H new ATOM 0 HD13 LEU A 42 1.104 1.416 7.470 1.00 0.20 H new ATOM 0 HD21 LEU A 42 3.957 1.355 8.600 1.00 0.22 H new ATOM 0 HD22 LEU A 42 3.394 0.325 7.262 1.00 0.22 H new ATOM 0 HD23 LEU A 42 4.824 1.362 7.046 1.00 0.22 H new ATOM 591 N ILE A 43 4.563 1.205 2.771 1.00 0.11 N ATOM 592 CA ILE A 43 4.366 0.694 1.433 1.00 0.10 C ATOM 593 C ILE A 43 3.624 -0.628 1.484 1.00 0.11 C ATOM 594 O ILE A 43 3.924 -1.498 2.304 1.00 0.15 O ATOM 595 CB ILE A 43 5.685 0.537 0.639 1.00 0.11 C ATOM 596 CG1 ILE A 43 6.751 -0.197 1.454 1.00 0.11 C ATOM 597 CG2 ILE A 43 6.195 1.901 0.203 1.00 0.13 C ATOM 598 CD1 ILE A 43 7.979 -0.559 0.646 1.00 0.14 C ATOM 0 H ILE A 43 5.310 0.749 3.295 1.00 0.11 H new ATOM 0 HA ILE A 43 3.769 1.434 0.900 1.00 0.10 H new ATOM 0 HB ILE A 43 5.475 -0.067 -0.244 1.00 0.11 H new ATOM 0 HG12 ILE A 43 7.050 0.428 2.295 1.00 0.11 H new ATOM 0 HG13 ILE A 43 6.318 -1.106 1.871 1.00 0.11 H new ATOM 0 HG21 ILE A 43 7.124 1.781 -0.355 1.00 0.13 H new ATOM 0 HG22 ILE A 43 5.450 2.382 -0.431 1.00 0.13 H new ATOM 0 HG23 ILE A 43 6.377 2.519 1.082 1.00 0.13 H new ATOM 0 HD11 ILE A 43 8.695 -1.077 1.284 1.00 0.14 H new ATOM 0 HD12 ILE A 43 7.692 -1.210 -0.180 1.00 0.14 H new ATOM 0 HD13 ILE A 43 8.435 0.349 0.251 1.00 0.14 H new ATOM 610 N GLY A 44 2.638 -0.759 0.623 1.00 0.13 N ATOM 611 CA GLY A 44 1.794 -1.925 0.644 1.00 0.16 C ATOM 612 C GLY A 44 2.060 -2.862 -0.507 1.00 0.17 C ATOM 613 O GLY A 44 1.662 -2.597 -1.638 1.00 0.31 O ATOM 0 H GLY A 44 2.405 -0.074 -0.096 1.00 0.13 H new ATOM 0 HA2 GLY A 44 1.943 -2.459 1.583 1.00 0.16 H new ATOM 0 HA3 GLY A 44 0.750 -1.612 0.618 1.00 0.16 H new ATOM 617 N ASP A 45 2.726 -3.959 -0.219 1.00 0.18 N ATOM 618 CA ASP A 45 2.979 -4.975 -1.225 1.00 0.20 C ATOM 619 C ASP A 45 1.769 -5.884 -1.336 1.00 0.20 C ATOM 620 O ASP A 45 1.142 -6.213 -0.328 1.00 0.29 O ATOM 621 CB ASP A 45 4.223 -5.792 -0.871 1.00 0.32 C ATOM 622 CG ASP A 45 4.521 -6.862 -1.901 1.00 0.30 C ATOM 623 OD1 ASP A 45 5.150 -6.546 -2.929 1.00 0.42 O ATOM 624 OD2 ASP A 45 4.130 -8.027 -1.682 1.00 0.57 O ATOM 0 H ASP A 45 3.104 -4.173 0.704 1.00 0.18 H new ATOM 0 HA ASP A 45 3.157 -4.487 -2.183 1.00 0.20 H new ATOM 0 HB2 ASP A 45 5.081 -5.125 -0.785 1.00 0.32 H new ATOM 0 HB3 ASP A 45 4.083 -6.259 0.104 1.00 0.32 H new ATOM 629 N GLY A 46 1.416 -6.263 -2.553 1.00 0.18 N ATOM 630 CA GLY A 46 0.272 -7.126 -2.739 1.00 0.21 C ATOM 631 C GLY A 46 -1.030 -6.387 -2.517 1.00 0.18 C ATOM 632 O GLY A 46 -1.978 -6.930 -1.952 1.00 0.18 O ATOM 0 H GLY A 46 1.898 -5.990 -3.410 1.00 0.18 H new ATOM 0 HA2 GLY A 46 0.288 -7.539 -3.748 1.00 0.21 H new ATOM 0 HA3 GLY A 46 0.335 -7.967 -2.049 1.00 0.21 H new ATOM 636 N CYS A 47 -1.074 -5.145 -2.957 1.00 0.17 N ATOM 637 CA CYS A 47 -2.198 -4.277 -2.673 1.00 0.15 C ATOM 638 C CYS A 47 -3.102 -4.141 -3.885 1.00 0.19 C ATOM 639 O CYS A 47 -2.690 -3.641 -4.932 1.00 0.25 O ATOM 640 CB CYS A 47 -1.693 -2.907 -2.239 1.00 0.15 C ATOM 641 SG CYS A 47 -2.646 -2.159 -0.886 1.00 0.12 S ATOM 0 H CYS A 47 -0.339 -4.713 -3.516 1.00 0.17 H new ATOM 0 HA CYS A 47 -2.781 -4.720 -1.866 1.00 0.15 H new ATOM 0 HB2 CYS A 47 -0.652 -2.997 -1.929 1.00 0.15 H new ATOM 0 HB3 CYS A 47 -1.713 -2.236 -3.097 1.00 0.15 H new ATOM 646 N ASP A 48 -4.329 -4.613 -3.745 1.00 0.19 N ATOM 647 CA ASP A 48 -5.313 -4.496 -4.807 1.00 0.24 C ATOM 648 C ASP A 48 -6.272 -3.354 -4.500 1.00 0.21 C ATOM 649 O ASP A 48 -6.717 -3.198 -3.363 1.00 0.19 O ATOM 650 CB ASP A 48 -6.081 -5.813 -5.000 1.00 0.30 C ATOM 651 CG ASP A 48 -7.283 -5.967 -4.086 1.00 1.50 C ATOM 652 OD1 ASP A 48 -8.417 -5.698 -4.533 1.00 2.21 O ATOM 653 OD2 ASP A 48 -7.093 -6.326 -2.904 1.00 2.02 O ATOM 0 H ASP A 48 -4.668 -5.082 -2.905 1.00 0.19 H new ATOM 0 HA ASP A 48 -4.791 -4.280 -5.739 1.00 0.24 H new ATOM 0 HB2 ASP A 48 -6.414 -5.879 -6.036 1.00 0.30 H new ATOM 0 HB3 ASP A 48 -5.400 -6.647 -4.831 1.00 0.30 H new ATOM 658 N PRO A 49 -6.551 -2.506 -5.494 1.00 0.26 N ATOM 659 CA PRO A 49 -7.516 -1.418 -5.357 1.00 0.28 C ATOM 660 C PRO A 49 -8.876 -1.919 -4.891 1.00 0.31 C ATOM 661 O PRO A 49 -9.516 -2.722 -5.575 1.00 0.37 O ATOM 662 CB PRO A 49 -7.633 -0.858 -6.777 1.00 0.35 C ATOM 663 CG PRO A 49 -6.373 -1.250 -7.460 1.00 0.44 C ATOM 664 CD PRO A 49 -5.926 -2.536 -6.825 1.00 0.34 C ATOM 0 HA PRO A 49 -7.196 -0.685 -4.617 1.00 0.28 H new ATOM 0 HB2 PRO A 49 -8.502 -1.268 -7.291 1.00 0.35 H new ATOM 0 HB3 PRO A 49 -7.752 0.225 -6.764 1.00 0.35 H new ATOM 0 HG2 PRO A 49 -6.536 -1.382 -8.530 1.00 0.44 H new ATOM 0 HG3 PRO A 49 -5.613 -0.477 -7.346 1.00 0.44 H new ATOM 0 HD2 PRO A 49 -6.253 -3.401 -7.401 1.00 0.34 H new ATOM 0 HD3 PRO A 49 -4.840 -2.591 -6.756 1.00 0.34 H new ATOM 672 N ILE A 50 -9.321 -1.444 -3.738 1.00 0.30 N ATOM 673 CA ILE A 50 -10.627 -1.822 -3.244 1.00 0.36 C ATOM 674 C ILE A 50 -11.667 -0.947 -3.907 1.00 0.43 C ATOM 675 O ILE A 50 -11.784 0.235 -3.603 1.00 0.46 O ATOM 676 CB ILE A 50 -10.759 -1.702 -1.711 1.00 0.36 C ATOM 677 CG1 ILE A 50 -9.600 -2.402 -1.012 1.00 0.29 C ATOM 678 CG2 ILE A 50 -12.067 -2.323 -1.259 1.00 0.44 C ATOM 679 CD1 ILE A 50 -9.685 -2.347 0.502 1.00 0.31 C ATOM 0 H ILE A 50 -8.802 -0.804 -3.137 1.00 0.30 H new ATOM 0 HA ILE A 50 -10.775 -2.874 -3.489 1.00 0.36 H new ATOM 0 HB ILE A 50 -10.741 -0.645 -1.447 1.00 0.36 H new ATOM 0 HG12 ILE A 50 -9.571 -3.445 -1.329 1.00 0.29 H new ATOM 0 HG13 ILE A 50 -8.664 -1.945 -1.332 1.00 0.29 H new ATOM 0 HG21 ILE A 50 -12.156 -2.236 -0.176 1.00 0.44 H new ATOM 0 HG22 ILE A 50 -12.899 -1.804 -1.734 1.00 0.44 H new ATOM 0 HG23 ILE A 50 -12.087 -3.376 -1.541 1.00 0.44 H new ATOM 0 HD11 ILE A 50 -8.828 -2.865 0.934 1.00 0.31 H new ATOM 0 HD12 ILE A 50 -9.683 -1.307 0.829 1.00 0.31 H new ATOM 0 HD13 ILE A 50 -10.605 -2.830 0.833 1.00 0.31 H new ATOM 691 N THR A 51 -12.383 -1.529 -4.842 1.00 0.54 N ATOM 692 CA THR A 51 -13.381 -0.805 -5.600 1.00 0.64 C ATOM 693 C THR A 51 -14.756 -1.431 -5.394 1.00 0.79 C ATOM 694 O THR A 51 -15.686 -1.230 -6.180 1.00 0.88 O ATOM 695 CB THR A 51 -13.003 -0.767 -7.098 1.00 0.66 C ATOM 696 OG1 THR A 51 -14.054 -0.177 -7.871 1.00 0.78 O ATOM 697 CG2 THR A 51 -12.690 -2.162 -7.624 1.00 0.70 C ATOM 0 H THR A 51 -12.292 -2.512 -5.098 1.00 0.54 H new ATOM 0 HA THR A 51 -13.419 0.223 -5.240 1.00 0.64 H new ATOM 0 HB THR A 51 -12.107 -0.155 -7.196 1.00 0.66 H new ATOM 0 HG1 THR A 51 -14.897 -0.233 -7.374 1.00 0.78 H new ATOM 0 HG21 THR A 51 -12.428 -2.102 -8.680 1.00 0.70 H new ATOM 0 HG22 THR A 51 -11.853 -2.582 -7.066 1.00 0.70 H new ATOM 0 HG23 THR A 51 -13.565 -2.801 -7.503 1.00 0.70 H new ATOM 705 N VAL A 52 -14.875 -2.194 -4.324 1.00 0.88 N ATOM 706 CA VAL A 52 -16.133 -2.807 -3.958 1.00 1.10 C ATOM 707 C VAL A 52 -16.721 -2.107 -2.739 1.00 1.38 C ATOM 708 O VAL A 52 -16.019 -1.840 -1.761 1.00 1.44 O ATOM 709 CB VAL A 52 -15.961 -4.316 -3.670 1.00 1.13 C ATOM 710 CG1 VAL A 52 -14.935 -4.549 -2.572 1.00 1.17 C ATOM 711 CG2 VAL A 52 -17.290 -4.947 -3.300 1.00 1.44 C ATOM 0 H VAL A 52 -14.105 -2.404 -3.688 1.00 0.88 H new ATOM 0 HA VAL A 52 -16.817 -2.700 -4.800 1.00 1.10 H new ATOM 0 HB VAL A 52 -15.596 -4.791 -4.580 1.00 1.13 H new ATOM 0 HG11 VAL A 52 -14.834 -5.619 -2.390 1.00 1.17 H new ATOM 0 HG12 VAL A 52 -13.973 -4.141 -2.881 1.00 1.17 H new ATOM 0 HG13 VAL A 52 -15.262 -4.054 -1.657 1.00 1.17 H new ATOM 0 HG21 VAL A 52 -17.146 -6.009 -3.101 1.00 1.44 H new ATOM 0 HG22 VAL A 52 -17.687 -4.462 -2.409 1.00 1.44 H new ATOM 0 HG23 VAL A 52 -17.993 -4.824 -4.124 1.00 1.44 H new ATOM 721 N ALA A 53 -18.000 -1.789 -2.809 1.00 1.71 N ATOM 722 CA ALA A 53 -18.677 -1.160 -1.692 1.00 2.11 C ATOM 723 C ALA A 53 -19.204 -2.219 -0.733 1.00 2.05 C ATOM 724 O ALA A 53 -20.384 -2.571 -0.752 1.00 2.54 O ATOM 725 CB ALA A 53 -19.798 -0.261 -2.185 1.00 2.94 C ATOM 0 H ALA A 53 -18.589 -1.955 -3.625 1.00 1.71 H new ATOM 0 HA ALA A 53 -17.963 -0.538 -1.153 1.00 2.11 H new ATOM 0 HB1 ALA A 53 -20.294 0.202 -1.332 1.00 2.94 H new ATOM 0 HB2 ALA A 53 -19.385 0.515 -2.830 1.00 2.94 H new ATOM 0 HB3 ALA A 53 -20.520 -0.854 -2.747 1.00 2.94 H new ATOM 731 N GLY A 54 -18.301 -2.743 0.079 1.00 2.23 N ATOM 732 CA GLY A 54 -18.653 -3.748 1.058 1.00 2.81 C ATOM 733 C GLY A 54 -17.532 -3.946 2.050 1.00 2.91 C ATOM 734 O GLY A 54 -16.880 -4.989 2.060 1.00 3.50 O ATOM 0 H GLY A 54 -17.314 -2.485 0.076 1.00 2.23 H new ATOM 0 HA2 GLY A 54 -19.560 -3.449 1.583 1.00 2.81 H new ATOM 0 HA3 GLY A 54 -18.871 -4.691 0.556 1.00 2.81 H new ATOM 738 N SER A 55 -17.316 -2.936 2.889 1.00 2.88 N ATOM 739 CA SER A 55 -16.172 -2.897 3.798 1.00 3.27 C ATOM 740 C SER A 55 -16.183 -4.069 4.784 1.00 2.84 C ATOM 741 O SER A 55 -15.153 -4.397 5.378 1.00 3.08 O ATOM 742 CB SER A 55 -16.163 -1.570 4.558 1.00 4.15 C ATOM 743 OG SER A 55 -14.943 -1.375 5.253 1.00 4.90 O ATOM 0 H SER A 55 -17.928 -2.123 2.958 1.00 2.88 H new ATOM 0 HA SER A 55 -15.266 -2.985 3.198 1.00 3.27 H new ATOM 0 HB2 SER A 55 -16.319 -0.749 3.859 1.00 4.15 H new ATOM 0 HB3 SER A 55 -16.992 -1.549 5.265 1.00 4.15 H new ATOM 0 HG SER A 55 -14.824 -0.421 5.444 1.00 4.90 H new ATOM 749 N SER A 56 -17.346 -4.694 4.949 1.00 2.68 N ATOM 750 CA SER A 56 -17.480 -5.870 5.799 1.00 2.71 C ATOM 751 C SER A 56 -16.454 -6.938 5.416 1.00 2.12 C ATOM 752 O SER A 56 -15.832 -7.556 6.282 1.00 2.50 O ATOM 753 CB SER A 56 -18.904 -6.412 5.684 1.00 3.33 C ATOM 754 OG SER A 56 -19.390 -6.264 4.357 1.00 4.06 O ATOM 0 H SER A 56 -18.214 -4.401 4.501 1.00 2.68 H new ATOM 0 HA SER A 56 -17.287 -5.590 6.835 1.00 2.71 H new ATOM 0 HB2 SER A 56 -18.922 -7.464 5.969 1.00 3.33 H new ATOM 0 HB3 SER A 56 -19.557 -5.883 6.377 1.00 3.33 H new ATOM 0 HG SER A 56 -20.302 -6.618 4.301 1.00 4.06 H new ATOM 760 N ASP A 57 -16.268 -7.128 4.116 1.00 1.64 N ATOM 761 CA ASP A 57 -15.240 -8.024 3.602 1.00 1.50 C ATOM 762 C ASP A 57 -14.804 -7.556 2.219 1.00 1.07 C ATOM 763 O ASP A 57 -15.120 -8.173 1.202 1.00 1.44 O ATOM 764 CB ASP A 57 -15.739 -9.471 3.544 1.00 2.15 C ATOM 765 CG ASP A 57 -14.635 -10.447 3.177 1.00 2.62 C ATOM 766 OD1 ASP A 57 -14.634 -10.947 2.033 1.00 3.12 O ATOM 767 OD2 ASP A 57 -13.757 -10.715 4.030 1.00 3.13 O ATOM 0 H ASP A 57 -16.821 -6.669 3.392 1.00 1.64 H new ATOM 0 HA ASP A 57 -14.387 -7.998 4.280 1.00 1.50 H new ATOM 0 HB2 ASP A 57 -16.158 -9.747 4.511 1.00 2.15 H new ATOM 0 HB3 ASP A 57 -16.545 -9.546 2.814 1.00 2.15 H new ATOM 772 N ALA A 58 -14.105 -6.434 2.192 1.00 0.67 N ATOM 773 CA ALA A 58 -13.643 -5.842 0.946 1.00 0.66 C ATOM 774 C ALA A 58 -12.145 -6.038 0.786 1.00 0.60 C ATOM 775 O ALA A 58 -11.549 -5.638 -0.216 1.00 0.83 O ATOM 776 CB ALA A 58 -13.988 -4.360 0.912 1.00 0.99 C ATOM 0 H ALA A 58 -13.843 -5.910 3.027 1.00 0.67 H new ATOM 0 HA ALA A 58 -14.146 -6.340 0.117 1.00 0.66 H new ATOM 0 HB1 ALA A 58 -13.638 -3.926 -0.025 1.00 0.99 H new ATOM 0 HB2 ALA A 58 -15.068 -4.236 0.988 1.00 0.99 H new ATOM 0 HB3 ALA A 58 -13.505 -3.855 1.749 1.00 0.99 H new ATOM 782 N CYS A 59 -11.540 -6.655 1.782 1.00 0.45 N ATOM 783 CA CYS A 59 -10.110 -6.879 1.779 1.00 0.54 C ATOM 784 C CYS A 59 -9.785 -8.258 2.335 1.00 0.55 C ATOM 785 O CYS A 59 -10.408 -8.712 3.293 1.00 0.74 O ATOM 786 CB CYS A 59 -9.414 -5.797 2.602 1.00 0.73 C ATOM 787 SG CYS A 59 -7.608 -5.993 2.707 1.00 0.74 S ATOM 0 H CYS A 59 -12.021 -7.012 2.608 1.00 0.45 H new ATOM 0 HA CYS A 59 -9.749 -6.830 0.752 1.00 0.54 H new ATOM 0 HB2 CYS A 59 -9.639 -4.823 2.167 1.00 0.73 H new ATOM 0 HB3 CYS A 59 -9.828 -5.799 3.610 1.00 0.73 H new ATOM 792 N SER A 60 -8.815 -8.925 1.724 1.00 0.64 N ATOM 793 CA SER A 60 -8.414 -10.254 2.154 1.00 0.86 C ATOM 794 C SER A 60 -7.132 -10.211 2.990 1.00 0.71 C ATOM 795 O SER A 60 -6.567 -11.252 3.324 1.00 1.05 O ATOM 796 CB SER A 60 -8.215 -11.152 0.936 1.00 1.24 C ATOM 797 OG SER A 60 -9.372 -11.157 0.113 1.00 2.14 O ATOM 0 H SER A 60 -8.291 -8.564 0.927 1.00 0.64 H new ATOM 0 HA SER A 60 -9.207 -10.660 2.782 1.00 0.86 H new ATOM 0 HB2 SER A 60 -7.357 -10.805 0.361 1.00 1.24 H new ATOM 0 HB3 SER A 60 -7.991 -12.168 1.261 1.00 1.24 H new ATOM 0 HG SER A 60 -9.220 -11.738 -0.662 1.00 2.14 H new ATOM 803 N ALA A 61 -6.669 -9.010 3.326 1.00 0.38 N ATOM 804 CA ALA A 61 -5.459 -8.871 4.128 1.00 0.32 C ATOM 805 C ALA A 61 -5.522 -7.647 5.045 1.00 0.32 C ATOM 806 O ALA A 61 -5.883 -7.769 6.215 1.00 0.54 O ATOM 807 CB ALA A 61 -4.231 -8.822 3.232 1.00 0.38 C ATOM 0 H ALA A 61 -7.108 -8.129 3.059 1.00 0.38 H new ATOM 0 HA ALA A 61 -5.383 -9.748 4.771 1.00 0.32 H new ATOM 0 HB1 ALA A 61 -3.336 -8.718 3.846 1.00 0.38 H new ATOM 0 HB2 ALA A 61 -4.168 -9.742 2.651 1.00 0.38 H new ATOM 0 HB3 ALA A 61 -4.308 -7.971 2.556 1.00 0.38 H new ATOM 813 N THR A 62 -5.175 -6.474 4.519 1.00 0.22 N ATOM 814 CA THR A 62 -5.176 -5.244 5.309 1.00 0.19 C ATOM 815 C THR A 62 -5.662 -4.055 4.473 1.00 0.18 C ATOM 816 O THR A 62 -5.180 -3.828 3.362 1.00 0.20 O ATOM 817 CB THR A 62 -3.762 -4.944 5.854 1.00 0.22 C ATOM 818 OG1 THR A 62 -3.259 -6.086 6.564 1.00 0.29 O ATOM 819 CG2 THR A 62 -3.765 -3.738 6.784 1.00 0.24 C ATOM 0 H THR A 62 -4.889 -6.349 3.548 1.00 0.22 H new ATOM 0 HA THR A 62 -5.859 -5.391 6.145 1.00 0.19 H new ATOM 0 HB THR A 62 -3.120 -4.720 5.002 1.00 0.22 H new ATOM 0 HG1 THR A 62 -2.362 -5.890 6.906 1.00 0.29 H new ATOM 0 HG21 THR A 62 -2.754 -3.557 7.148 1.00 0.24 H new ATOM 0 HG22 THR A 62 -4.118 -2.861 6.241 1.00 0.24 H new ATOM 0 HG23 THR A 62 -4.426 -3.932 7.629 1.00 0.24 H new ATOM 827 N ALA A 63 -6.613 -3.301 5.013 1.00 0.19 N ATOM 828 CA ALA A 63 -7.180 -2.156 4.310 1.00 0.20 C ATOM 829 C ALA A 63 -6.345 -0.912 4.570 1.00 0.17 C ATOM 830 O ALA A 63 -6.052 -0.580 5.719 1.00 0.19 O ATOM 831 CB ALA A 63 -8.620 -1.919 4.744 1.00 0.25 C ATOM 0 H ALA A 63 -7.009 -3.463 5.939 1.00 0.19 H new ATOM 0 HA ALA A 63 -7.171 -2.371 3.241 1.00 0.20 H new ATOM 0 HB1 ALA A 63 -9.025 -1.061 4.208 1.00 0.25 H new ATOM 0 HB2 ALA A 63 -9.218 -2.802 4.519 1.00 0.25 H new ATOM 0 HB3 ALA A 63 -8.650 -1.724 5.816 1.00 0.25 H new ATOM 837 N VAL A 64 -5.968 -0.224 3.505 1.00 0.14 N ATOM 838 CA VAL A 64 -5.106 0.942 3.616 1.00 0.13 C ATOM 839 C VAL A 64 -5.524 2.054 2.658 1.00 0.14 C ATOM 840 O VAL A 64 -6.359 1.856 1.775 1.00 0.21 O ATOM 841 CB VAL A 64 -3.642 0.579 3.332 1.00 0.15 C ATOM 842 CG1 VAL A 64 -3.016 -0.142 4.518 1.00 0.14 C ATOM 843 CG2 VAL A 64 -3.565 -0.274 2.082 1.00 0.19 C ATOM 0 H VAL A 64 -6.246 -0.453 2.551 1.00 0.14 H new ATOM 0 HA VAL A 64 -5.207 1.299 4.641 1.00 0.13 H new ATOM 0 HB VAL A 64 -3.077 1.497 3.172 1.00 0.15 H new ATOM 0 HG11 VAL A 64 -1.979 -0.387 4.289 1.00 0.14 H new ATOM 0 HG12 VAL A 64 -3.051 0.503 5.396 1.00 0.14 H new ATOM 0 HG13 VAL A 64 -3.569 -1.059 4.720 1.00 0.14 H new ATOM 0 HG21 VAL A 64 -2.525 -0.532 1.881 1.00 0.19 H new ATOM 0 HG22 VAL A 64 -4.143 -1.186 2.228 1.00 0.19 H new ATOM 0 HG23 VAL A 64 -3.971 0.282 1.237 1.00 0.19 H new ATOM 853 N CYS A 65 -4.922 3.215 2.847 1.00 0.17 N ATOM 854 CA CYS A 65 -5.209 4.388 2.041 1.00 0.17 C ATOM 855 C CYS A 65 -3.908 5.044 1.590 1.00 0.13 C ATOM 856 O CYS A 65 -3.234 5.705 2.384 1.00 0.14 O ATOM 857 CB CYS A 65 -6.038 5.387 2.856 1.00 0.23 C ATOM 858 SG CYS A 65 -6.293 6.999 2.041 1.00 0.39 S ATOM 0 H CYS A 65 -4.217 3.371 3.567 1.00 0.17 H new ATOM 0 HA CYS A 65 -5.776 4.083 1.161 1.00 0.17 H new ATOM 0 HB2 CYS A 65 -7.011 4.944 3.070 1.00 0.23 H new ATOM 0 HB3 CYS A 65 -5.546 5.552 3.814 1.00 0.23 H new ATOM 863 N CYS A 66 -3.544 4.847 0.332 1.00 0.12 N ATOM 864 CA CYS A 66 -2.310 5.408 -0.198 1.00 0.13 C ATOM 865 C CYS A 66 -2.529 6.776 -0.810 1.00 0.16 C ATOM 866 O CYS A 66 -3.522 7.026 -1.497 1.00 0.23 O ATOM 867 CB CYS A 66 -1.677 4.476 -1.227 1.00 0.19 C ATOM 868 SG CYS A 66 -0.447 3.334 -0.529 1.00 0.65 S ATOM 0 H CYS A 66 -4.085 4.303 -0.341 1.00 0.12 H new ATOM 0 HA CYS A 66 -1.628 5.518 0.645 1.00 0.13 H new ATOM 0 HB2 CYS A 66 -2.464 3.896 -1.710 1.00 0.19 H new ATOM 0 HB3 CYS A 66 -1.202 5.076 -2.003 1.00 0.19 H new ATOM 873 N SER A 67 -1.583 7.658 -0.540 1.00 0.24 N ATOM 874 CA SER A 67 -1.612 9.010 -1.055 1.00 0.29 C ATOM 875 C SER A 67 -0.839 9.105 -2.367 1.00 0.32 C ATOM 876 O SER A 67 -1.031 10.037 -3.151 1.00 0.41 O ATOM 877 CB SER A 67 -1.013 9.957 -0.014 1.00 0.35 C ATOM 878 OG SER A 67 -1.011 11.299 -0.467 1.00 1.15 O ATOM 0 H SER A 67 -0.772 7.454 0.044 1.00 0.24 H new ATOM 0 HA SER A 67 -2.645 9.295 -1.254 1.00 0.29 H new ATOM 0 HB2 SER A 67 -1.583 9.886 0.913 1.00 0.35 H new ATOM 0 HB3 SER A 67 0.007 9.648 0.215 1.00 0.35 H new ATOM 0 HG SER A 67 -0.623 11.877 0.223 1.00 1.15 H new ATOM 884 N ASP A 68 0.021 8.129 -2.608 1.00 0.30 N ATOM 885 CA ASP A 68 0.895 8.156 -3.775 1.00 0.37 C ATOM 886 C ASP A 68 0.295 7.333 -4.912 1.00 0.44 C ATOM 887 O ASP A 68 -0.556 6.468 -4.686 1.00 0.57 O ATOM 888 CB ASP A 68 2.283 7.627 -3.410 1.00 0.43 C ATOM 889 CG ASP A 68 3.358 8.100 -4.364 1.00 1.03 C ATOM 890 OD1 ASP A 68 3.462 7.550 -5.475 1.00 1.60 O ATOM 891 OD2 ASP A 68 4.106 9.032 -3.999 1.00 1.52 O ATOM 0 H ASP A 68 0.134 7.308 -2.013 1.00 0.30 H new ATOM 0 HA ASP A 68 0.992 9.188 -4.111 1.00 0.37 H new ATOM 0 HB2 ASP A 68 2.535 7.946 -2.399 1.00 0.43 H new ATOM 0 HB3 ASP A 68 2.262 6.537 -3.404 1.00 0.43 H new ATOM 896 N ASN A 69 0.749 7.600 -6.128 1.00 0.53 N ATOM 897 CA ASN A 69 0.169 6.988 -7.316 1.00 0.63 C ATOM 898 C ASN A 69 1.199 6.128 -8.050 1.00 0.59 C ATOM 899 O ASN A 69 0.868 5.417 -9.000 1.00 0.64 O ATOM 900 CB ASN A 69 -0.377 8.089 -8.238 1.00 0.84 C ATOM 901 CG ASN A 69 -1.171 7.555 -9.416 1.00 1.67 C ATOM 902 OD1 ASN A 69 -2.364 7.269 -9.294 1.00 2.35 O ATOM 903 ND2 ASN A 69 -0.530 7.446 -10.570 1.00 2.49 N ATOM 0 H ASN A 69 1.521 8.239 -6.319 1.00 0.53 H new ATOM 0 HA ASN A 69 -0.648 6.333 -7.014 1.00 0.63 H new ATOM 0 HB2 ASN A 69 -1.011 8.758 -7.656 1.00 0.84 H new ATOM 0 HB3 ASN A 69 0.456 8.685 -8.612 1.00 0.84 H new ATOM 0 HD21 ASN A 69 -1.024 7.115 -11.399 1.00 2.49 H new ATOM 0 HD22 ASN A 69 0.458 7.693 -10.630 1.00 2.49 H new ATOM 910 N ASN A 70 2.447 6.172 -7.597 1.00 0.59 N ATOM 911 CA ASN A 70 3.523 5.435 -8.252 1.00 0.64 C ATOM 912 C ASN A 70 3.515 3.971 -7.818 1.00 0.55 C ATOM 913 O ASN A 70 4.240 3.571 -6.907 1.00 0.86 O ATOM 914 CB ASN A 70 4.883 6.070 -7.943 1.00 0.83 C ATOM 915 CG ASN A 70 6.036 5.376 -8.652 1.00 1.50 C ATOM 916 OD1 ASN A 70 7.140 5.282 -8.117 1.00 2.24 O ATOM 917 ND2 ASN A 70 5.800 4.903 -9.867 1.00 2.27 N ATOM 0 H ASN A 70 2.739 6.709 -6.780 1.00 0.59 H new ATOM 0 HA ASN A 70 3.356 5.480 -9.328 1.00 0.64 H new ATOM 0 HB2 ASN A 70 4.863 7.120 -8.235 1.00 0.83 H new ATOM 0 HB3 ASN A 70 5.055 6.042 -6.867 1.00 0.83 H new ATOM 0 HD21 ASN A 70 6.546 4.444 -10.389 1.00 2.27 H new ATOM 0 HD22 ASN A 70 4.872 4.998 -10.280 1.00 2.27 H new ATOM 924 N VAL A 71 2.678 3.179 -8.466 1.00 0.41 N ATOM 925 CA VAL A 71 2.571 1.769 -8.162 1.00 0.38 C ATOM 926 C VAL A 71 3.319 0.931 -9.196 1.00 0.33 C ATOM 927 O VAL A 71 3.281 1.219 -10.391 1.00 0.38 O ATOM 928 CB VAL A 71 1.093 1.337 -8.100 1.00 0.52 C ATOM 929 CG1 VAL A 71 0.394 2.014 -6.931 1.00 1.10 C ATOM 930 CG2 VAL A 71 0.371 1.654 -9.403 1.00 1.03 C ATOM 0 H VAL A 71 2.059 3.496 -9.212 1.00 0.41 H new ATOM 0 HA VAL A 71 3.026 1.601 -7.186 1.00 0.38 H new ATOM 0 HB VAL A 71 1.064 0.257 -7.953 1.00 0.52 H new ATOM 0 HG11 VAL A 71 -0.649 1.700 -6.899 1.00 1.10 H new ATOM 0 HG12 VAL A 71 0.886 1.732 -6.000 1.00 1.10 H new ATOM 0 HG13 VAL A 71 0.443 3.096 -7.055 1.00 1.10 H new ATOM 0 HG21 VAL A 71 -0.669 1.338 -9.329 1.00 1.03 H new ATOM 0 HG22 VAL A 71 0.412 2.727 -9.590 1.00 1.03 H new ATOM 0 HG23 VAL A 71 0.853 1.124 -10.224 1.00 1.03 H new ATOM 940 N SER A 72 4.006 -0.103 -8.726 1.00 0.32 N ATOM 941 CA SER A 72 4.786 -0.975 -9.597 1.00 0.37 C ATOM 942 C SER A 72 3.886 -1.995 -10.286 1.00 0.42 C ATOM 943 O SER A 72 4.335 -2.766 -11.135 1.00 0.55 O ATOM 944 CB SER A 72 5.849 -1.706 -8.778 1.00 0.45 C ATOM 945 OG SER A 72 5.242 -2.573 -7.834 1.00 1.41 O ATOM 0 H SER A 72 4.039 -0.360 -7.739 1.00 0.32 H new ATOM 0 HA SER A 72 5.266 -0.361 -10.359 1.00 0.37 H new ATOM 0 HB2 SER A 72 6.497 -2.278 -9.441 1.00 0.45 H new ATOM 0 HB3 SER A 72 6.480 -0.982 -8.262 1.00 0.45 H new ATOM 0 HG SER A 72 5.925 -3.149 -7.432 1.00 1.41 H new ATOM 951 N GLY A 73 2.617 -1.990 -9.912 1.00 0.39 N ATOM 952 CA GLY A 73 1.675 -2.943 -10.452 1.00 0.48 C ATOM 953 C GLY A 73 0.930 -3.681 -9.371 1.00 0.41 C ATOM 954 O GLY A 73 -0.238 -4.024 -9.545 1.00 0.48 O ATOM 0 H GLY A 73 2.221 -1.336 -9.237 1.00 0.39 H new ATOM 0 HA2 GLY A 73 0.962 -2.424 -11.093 1.00 0.48 H new ATOM 0 HA3 GLY A 73 2.205 -3.659 -11.080 1.00 0.48 H new ATOM 958 N VAL A 74 1.588 -3.905 -8.239 1.00 0.31 N ATOM 959 CA VAL A 74 0.947 -4.607 -7.137 1.00 0.28 C ATOM 960 C VAL A 74 1.211 -3.928 -5.799 1.00 0.22 C ATOM 961 O VAL A 74 0.639 -4.311 -4.785 1.00 0.34 O ATOM 962 CB VAL A 74 1.403 -6.079 -7.050 1.00 0.37 C ATOM 963 CG1 VAL A 74 1.271 -6.760 -8.402 1.00 0.49 C ATOM 964 CG2 VAL A 74 2.823 -6.183 -6.520 1.00 0.38 C ATOM 0 H VAL A 74 2.550 -3.615 -8.063 1.00 0.31 H new ATOM 0 HA VAL A 74 -0.122 -4.577 -7.346 1.00 0.28 H new ATOM 0 HB VAL A 74 0.751 -6.595 -6.345 1.00 0.37 H new ATOM 0 HG11 VAL A 74 1.597 -7.797 -8.321 1.00 0.49 H new ATOM 0 HG12 VAL A 74 0.230 -6.731 -8.724 1.00 0.49 H new ATOM 0 HG13 VAL A 74 1.891 -6.241 -9.133 1.00 0.49 H new ATOM 0 HG21 VAL A 74 3.117 -7.231 -6.470 1.00 0.38 H new ATOM 0 HG22 VAL A 74 3.500 -5.648 -7.186 1.00 0.38 H new ATOM 0 HG23 VAL A 74 2.872 -5.744 -5.523 1.00 0.38 H new ATOM 974 N ILE A 75 2.081 -2.931 -5.783 1.00 0.18 N ATOM 975 CA ILE A 75 2.399 -2.253 -4.534 1.00 0.17 C ATOM 976 C ILE A 75 1.602 -0.977 -4.369 1.00 0.16 C ATOM 977 O ILE A 75 0.810 -0.597 -5.231 1.00 0.20 O ATOM 978 CB ILE A 75 3.885 -1.886 -4.418 1.00 0.19 C ATOM 979 CG1 ILE A 75 4.272 -0.914 -5.519 1.00 0.20 C ATOM 980 CG2 ILE A 75 4.737 -3.129 -4.482 1.00 0.24 C ATOM 981 CD1 ILE A 75 5.594 -0.226 -5.289 1.00 0.30 C ATOM 0 H ILE A 75 2.572 -2.577 -6.604 1.00 0.18 H new ATOM 0 HA ILE A 75 2.140 -2.968 -3.753 1.00 0.17 H new ATOM 0 HB ILE A 75 4.054 -1.403 -3.456 1.00 0.19 H new ATOM 0 HG12 ILE A 75 4.313 -1.451 -6.467 1.00 0.20 H new ATOM 0 HG13 ILE A 75 3.492 -0.159 -5.614 1.00 0.20 H new ATOM 0 HG21 ILE A 75 5.788 -2.854 -4.399 1.00 0.24 H new ATOM 0 HG22 ILE A 75 4.470 -3.796 -3.662 1.00 0.24 H new ATOM 0 HG23 ILE A 75 4.569 -3.637 -5.432 1.00 0.24 H new ATOM 0 HD11 ILE A 75 5.801 0.452 -6.117 1.00 0.30 H new ATOM 0 HD12 ILE A 75 5.552 0.340 -4.359 1.00 0.30 H new ATOM 0 HD13 ILE A 75 6.386 -0.972 -5.224 1.00 0.30 H new ATOM 993 N ALA A 76 1.849 -0.325 -3.250 1.00 0.15 N ATOM 994 CA ALA A 76 1.227 0.940 -2.921 1.00 0.16 C ATOM 995 C ALA A 76 2.184 1.757 -2.053 1.00 0.14 C ATOM 996 O ALA A 76 2.870 1.199 -1.201 1.00 0.15 O ATOM 997 CB ALA A 76 -0.084 0.682 -2.196 1.00 0.18 C ATOM 0 H ALA A 76 2.495 -0.663 -2.536 1.00 0.15 H new ATOM 0 HA ALA A 76 1.012 1.505 -3.828 1.00 0.16 H new ATOM 0 HB1 ALA A 76 -0.555 1.633 -1.947 1.00 0.18 H new ATOM 0 HB2 ALA A 76 -0.748 0.106 -2.840 1.00 0.18 H new ATOM 0 HB3 ALA A 76 0.110 0.122 -1.281 1.00 0.18 H new ATOM 1003 N ILE A 77 2.259 3.063 -2.279 1.00 0.15 N ATOM 1004 CA ILE A 77 3.186 3.906 -1.528 1.00 0.16 C ATOM 1005 C ILE A 77 2.442 4.973 -0.726 1.00 0.16 C ATOM 1006 O ILE A 77 1.537 5.633 -1.239 1.00 0.21 O ATOM 1007 CB ILE A 77 4.215 4.587 -2.461 1.00 0.19 C ATOM 1008 CG1 ILE A 77 5.020 3.531 -3.222 1.00 0.21 C ATOM 1009 CG2 ILE A 77 5.147 5.496 -1.667 1.00 0.24 C ATOM 1010 CD1 ILE A 77 6.030 4.115 -4.183 1.00 0.26 C ATOM 0 H ILE A 77 1.695 3.559 -2.969 1.00 0.15 H new ATOM 0 HA ILE A 77 3.718 3.252 -0.837 1.00 0.16 H new ATOM 0 HB ILE A 77 3.673 5.200 -3.181 1.00 0.19 H new ATOM 0 HG12 ILE A 77 5.539 2.896 -2.505 1.00 0.21 H new ATOM 0 HG13 ILE A 77 4.332 2.891 -3.775 1.00 0.21 H new ATOM 0 HG21 ILE A 77 5.862 5.964 -2.344 1.00 0.24 H new ATOM 0 HG22 ILE A 77 4.563 6.268 -1.166 1.00 0.24 H new ATOM 0 HG23 ILE A 77 5.683 4.907 -0.923 1.00 0.24 H new ATOM 0 HD11 ILE A 77 6.563 3.308 -4.686 1.00 0.26 H new ATOM 0 HD12 ILE A 77 5.516 4.727 -4.924 1.00 0.26 H new ATOM 0 HD13 ILE A 77 6.741 4.732 -3.633 1.00 0.26 H new ATOM 1022 N GLY A 78 2.821 5.126 0.540 1.00 0.16 N ATOM 1023 CA GLY A 78 2.204 6.129 1.388 1.00 0.17 C ATOM 1024 C GLY A 78 0.818 5.718 1.827 1.00 0.15 C ATOM 1025 O GLY A 78 -0.139 6.480 1.683 1.00 0.17 O ATOM 0 H GLY A 78 3.547 4.571 0.994 1.00 0.16 H new ATOM 0 HA2 GLY A 78 2.828 6.297 2.266 1.00 0.17 H new ATOM 0 HA3 GLY A 78 2.149 7.076 0.850 1.00 0.17 H new ATOM 1029 N CYS A 79 0.711 4.508 2.356 1.00 0.13 N ATOM 1030 CA CYS A 79 -0.567 3.953 2.759 1.00 0.13 C ATOM 1031 C CYS A 79 -0.795 4.085 4.252 1.00 0.13 C ATOM 1032 O CYS A 79 0.085 3.791 5.058 1.00 0.18 O ATOM 1033 CB CYS A 79 -0.650 2.483 2.361 1.00 0.15 C ATOM 1034 SG CYS A 79 -1.489 2.189 0.774 1.00 0.65 S ATOM 0 H CYS A 79 1.505 3.888 2.516 1.00 0.13 H new ATOM 0 HA CYS A 79 -1.344 4.521 2.247 1.00 0.13 H new ATOM 0 HB2 CYS A 79 0.359 2.075 2.307 1.00 0.15 H new ATOM 0 HB3 CYS A 79 -1.174 1.935 3.144 1.00 0.15 H new ATOM 1039 N LEU A 80 -1.977 4.545 4.612 1.00 0.14 N ATOM 1040 CA LEU A 80 -2.390 4.577 6.002 1.00 0.15 C ATOM 1041 C LEU A 80 -3.453 3.519 6.248 1.00 0.15 C ATOM 1042 O LEU A 80 -4.401 3.400 5.478 1.00 0.15 O ATOM 1043 CB LEU A 80 -2.933 5.951 6.372 1.00 0.19 C ATOM 1044 CG LEU A 80 -1.950 7.107 6.177 1.00 0.23 C ATOM 1045 CD1 LEU A 80 -2.600 8.426 6.551 1.00 0.29 C ATOM 1046 CD2 LEU A 80 -0.694 6.875 7.001 1.00 0.26 C ATOM 0 H LEU A 80 -2.672 4.904 3.957 1.00 0.14 H new ATOM 0 HA LEU A 80 -1.521 4.370 6.626 1.00 0.15 H new ATOM 0 HB2 LEU A 80 -3.824 6.146 5.775 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -3.247 5.932 7.416 1.00 0.19 H new ATOM 0 HG LEU A 80 -1.669 7.152 5.125 1.00 0.23 H new ATOM 0 HD11 LEU A 80 -1.886 9.237 6.406 1.00 0.29 H new ATOM 0 HD12 LEU A 80 -3.473 8.593 5.920 1.00 0.29 H new ATOM 0 HD13 LEU A 80 -2.908 8.396 7.596 1.00 0.29 H new ATOM 0 HD21 LEU A 80 -0.003 7.705 6.853 1.00 0.26 H new ATOM 0 HD22 LEU A 80 -0.959 6.807 8.056 1.00 0.26 H new ATOM 0 HD23 LEU A 80 -0.218 5.946 6.686 1.00 0.26 H new ATOM 1058 N PRO A 81 -3.296 2.726 7.310 1.00 0.15 N ATOM 1059 CA PRO A 81 -4.237 1.652 7.643 1.00 0.17 C ATOM 1060 C PRO A 81 -5.621 2.194 7.983 1.00 0.21 C ATOM 1061 O PRO A 81 -5.768 3.025 8.880 1.00 0.25 O ATOM 1062 CB PRO A 81 -3.606 0.975 8.866 1.00 0.21 C ATOM 1063 CG PRO A 81 -2.192 1.448 8.898 1.00 0.20 C ATOM 1064 CD PRO A 81 -2.194 2.814 8.277 1.00 0.17 C ATOM 0 HA PRO A 81 -4.390 0.970 6.806 1.00 0.17 H new ATOM 0 HB2 PRO A 81 -4.132 1.248 9.781 1.00 0.21 H new ATOM 0 HB3 PRO A 81 -3.655 -0.111 8.782 1.00 0.21 H new ATOM 0 HG2 PRO A 81 -1.817 1.486 9.921 1.00 0.20 H new ATOM 0 HG3 PRO A 81 -1.542 0.770 8.345 1.00 0.20 H new ATOM 0 HD2 PRO A 81 -2.366 3.595 9.017 1.00 0.17 H new ATOM 0 HD3 PRO A 81 -1.245 3.039 7.790 1.00 0.17 H new ATOM 1072 N VAL A 82 -6.632 1.726 7.263 1.00 0.23 N ATOM 1073 CA VAL A 82 -7.987 2.189 7.458 1.00 0.30 C ATOM 1074 C VAL A 82 -8.881 1.075 7.980 1.00 0.39 C ATOM 1075 O VAL A 82 -8.552 -0.107 7.882 1.00 0.42 O ATOM 1076 CB VAL A 82 -8.599 2.759 6.162 1.00 0.25 C ATOM 1077 CG1 VAL A 82 -8.078 4.161 5.891 1.00 0.33 C ATOM 1078 CG2 VAL A 82 -8.315 1.854 4.975 1.00 0.20 C ATOM 0 H VAL A 82 -6.531 1.020 6.534 1.00 0.23 H new ATOM 0 HA VAL A 82 -7.932 2.988 8.197 1.00 0.30 H new ATOM 0 HB VAL A 82 -9.679 2.809 6.301 1.00 0.25 H new ATOM 0 HG11 VAL A 82 -8.523 4.543 4.972 1.00 0.33 H new ATOM 0 HG12 VAL A 82 -8.343 4.815 6.722 1.00 0.33 H new ATOM 0 HG13 VAL A 82 -6.994 4.132 5.784 1.00 0.33 H new ATOM 0 HG21 VAL A 82 -8.759 2.282 4.076 1.00 0.20 H new ATOM 0 HG22 VAL A 82 -7.238 1.761 4.838 1.00 0.20 H new ATOM 0 HG23 VAL A 82 -8.744 0.869 5.158 1.00 0.20 H new ATOM 1088 N THR A 83 -9.990 1.473 8.565 1.00 0.53 N ATOM 1089 CA THR A 83 -10.988 0.547 9.061 1.00 0.70 C ATOM 1090 C THR A 83 -12.381 1.115 8.806 1.00 1.46 C ATOM 1091 O THR A 83 -12.609 2.309 9.013 1.00 2.07 O ATOM 1092 CB THR A 83 -10.808 0.288 10.571 1.00 1.31 C ATOM 1093 OG1 THR A 83 -9.448 -0.089 10.840 1.00 1.98 O ATOM 1094 CG2 THR A 83 -11.745 -0.810 11.053 1.00 1.65 C ATOM 0 H THR A 83 -10.227 2.454 8.711 1.00 0.53 H new ATOM 0 HA THR A 83 -10.867 -0.400 8.534 1.00 0.70 H new ATOM 0 HB THR A 83 -11.049 1.207 11.106 1.00 1.31 H new ATOM 0 HG1 THR A 83 -9.337 -0.251 11.800 1.00 1.98 H new ATOM 0 HG21 THR A 83 -11.597 -0.972 12.121 1.00 1.65 H new ATOM 0 HG22 THR A 83 -12.778 -0.513 10.871 1.00 1.65 H new ATOM 0 HG23 THR A 83 -11.532 -1.733 10.513 1.00 1.65 H new ATOM 1102 N LEU A 84 -13.291 0.257 8.351 1.00 1.87 N ATOM 1103 CA LEU A 84 -14.663 0.647 8.043 1.00 2.80 C ATOM 1104 C LEU A 84 -14.710 1.636 6.879 1.00 3.45 C ATOM 1105 O LEU A 84 -14.721 2.857 7.124 1.00 3.87 O ATOM 1106 CB LEU A 84 -15.337 1.237 9.277 1.00 3.22 C ATOM 1107 CG LEU A 84 -15.593 0.241 10.403 1.00 3.13 C ATOM 1108 CD1 LEU A 84 -16.109 0.950 11.645 1.00 3.79 C ATOM 1109 CD2 LEU A 84 -16.570 -0.831 9.958 1.00 3.37 C ATOM 1110 OXT LEU A 84 -14.726 1.183 5.714 1.00 3.91 O ATOM 0 H LEU A 84 -13.096 -0.730 8.185 1.00 1.87 H new ATOM 0 HA LEU A 84 -15.208 -0.247 7.741 1.00 2.80 H new ATOM 0 HB2 LEU A 84 -14.716 2.046 9.661 1.00 3.22 H new ATOM 0 HB3 LEU A 84 -16.288 1.679 8.978 1.00 3.22 H new ATOM 0 HG LEU A 84 -14.646 -0.238 10.652 1.00 3.13 H new ATOM 0 HD11 LEU A 84 -16.284 0.219 12.435 1.00 3.79 H new ATOM 0 HD12 LEU A 84 -15.371 1.678 11.982 1.00 3.79 H new ATOM 0 HD13 LEU A 84 -17.042 1.462 11.410 1.00 3.79 H new ATOM 0 HD21 LEU A 84 -16.739 -1.531 10.776 1.00 3.37 H new ATOM 0 HD22 LEU A 84 -17.515 -0.367 9.676 1.00 3.37 H new ATOM 0 HD23 LEU A 84 -16.159 -1.365 9.102 1.00 3.37 H new TER 1122 LEU A 84