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 Set 1.1: A 10 SER OG : rot 170:sc= 0.453 USER MOD Set 1.2: A 12 GLN : amide:sc= -3.47! C(o=-3!,f=-7.7!) USER MOD Set 2.1: A 7 SER OG : rot 180:sc= 0.418 USER MOD Set 2.2: A 8 THR OG1 : rot 180:sc= 0.00387 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.104 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.423 K(o=-0.42,f=-1.1) USER MOD Single : A 15 GLN : amide:sc= -2! K(o=-2!,f=-0.69) USER MOD Single : A 16 ASN : amide:sc=-0.00774 X(o=-0.0077,f=-0.45) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -36:sc= 1.2 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 51 THR OG1 : rot 104:sc= 1.2 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -33:sc= 0.428 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0928 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0407 X(o=-0.041,f=-0.18) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 72 SER OG : rot -120:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.578 3.065 -1.881 1.00 5.63 N ATOM 2 CA GLY A 1 -19.970 3.807 -3.011 1.00 4.92 C ATOM 3 C GLY A 1 -18.812 3.047 -3.624 1.00 4.01 C ATOM 4 O GLY A 1 -18.447 1.971 -3.146 1.00 4.29 O ATOM 0 H1 GLY A 1 -21.587 2.903 -2.075 1.00 5.63 H new ATOM 0 H2 GLY A 1 -20.096 2.151 -1.767 1.00 5.63 H new ATOM 0 H3 GLY A 1 -20.479 3.620 -1.007 1.00 5.63 H new ATOM 0 HA2 GLY A 1 -20.727 3.993 -3.773 1.00 4.92 H new ATOM 0 HA3 GLY A 1 -19.623 4.780 -2.662 1.00 4.92 H new ATOM 10 N SER A 2 -18.234 3.601 -4.678 1.00 3.39 N ATOM 11 CA SER A 2 -17.120 2.966 -5.361 1.00 2.92 C ATOM 12 C SER A 2 -15.799 3.499 -4.814 1.00 2.13 C ATOM 13 O SER A 2 -15.657 4.706 -4.591 1.00 2.36 O ATOM 14 CB SER A 2 -17.216 3.219 -6.869 1.00 3.61 C ATOM 15 OG SER A 2 -16.286 2.422 -7.586 1.00 4.28 O ATOM 0 H SER A 2 -18.520 4.494 -5.080 1.00 3.39 H new ATOM 0 HA SER A 2 -17.161 1.891 -5.185 1.00 2.92 H new ATOM 0 HB2 SER A 2 -18.227 3.000 -7.213 1.00 3.61 H new ATOM 0 HB3 SER A 2 -17.030 4.273 -7.076 1.00 3.61 H new ATOM 0 HG SER A 2 -16.371 2.603 -8.545 1.00 4.28 H new ATOM 21 N TRP A 3 -14.847 2.587 -4.592 1.00 1.93 N ATOM 22 CA TRP A 3 -13.526 2.915 -4.039 1.00 1.69 C ATOM 23 C TRP A 3 -13.620 3.320 -2.568 1.00 1.84 C ATOM 24 O TRP A 3 -13.094 2.637 -1.690 1.00 2.71 O ATOM 25 CB TRP A 3 -12.832 4.022 -4.846 1.00 2.33 C ATOM 26 CG TRP A 3 -12.403 3.603 -6.221 1.00 2.76 C ATOM 27 CD1 TRP A 3 -13.189 3.489 -7.332 1.00 3.47 C ATOM 28 CD2 TRP A 3 -11.076 3.257 -6.631 1.00 3.17 C ATOM 29 NE1 TRP A 3 -12.432 3.084 -8.406 1.00 4.11 N ATOM 30 CE2 TRP A 3 -11.131 2.937 -8.000 1.00 3.90 C ATOM 31 CE3 TRP A 3 -9.847 3.185 -5.970 1.00 3.49 C ATOM 32 CZ2 TRP A 3 -10.004 2.554 -8.720 1.00 4.62 C ATOM 33 CZ3 TRP A 3 -8.729 2.804 -6.687 1.00 4.30 C ATOM 34 CH2 TRP A 3 -8.814 2.492 -8.049 1.00 4.74 C ATOM 0 H TRP A 3 -14.971 1.594 -4.792 1.00 1.93 H new ATOM 0 HA TRP A 3 -12.922 2.010 -4.111 1.00 1.69 H new ATOM 0 HB2 TRP A 3 -13.509 4.872 -4.932 1.00 2.33 H new ATOM 0 HB3 TRP A 3 -11.957 4.365 -4.293 1.00 2.33 H new ATOM 0 HD1 TRP A 3 -14.250 3.688 -7.363 1.00 3.47 H new ATOM 0 HE1 TRP A 3 -12.781 2.920 -9.350 1.00 4.11 H new ATOM 0 HE3 TRP A 3 -9.772 3.423 -4.919 1.00 3.49 H new ATOM 0 HZ2 TRP A 3 -10.067 2.314 -9.771 1.00 4.62 H new ATOM 0 HZ3 TRP A 3 -7.773 2.746 -6.188 1.00 4.30 H new ATOM 0 HH2 TRP A 3 -7.922 2.196 -8.581 1.00 4.74 H new ATOM 45 N GLY A 4 -14.294 4.429 -2.308 1.00 1.61 N ATOM 46 CA GLY A 4 -14.461 4.903 -0.956 1.00 2.03 C ATOM 47 C GLY A 4 -14.025 6.342 -0.806 1.00 1.82 C ATOM 48 O GLY A 4 -13.432 6.916 -1.721 1.00 1.87 O ATOM 0 H GLY A 4 -14.732 5.013 -3.020 1.00 1.61 H new ATOM 0 HA2 GLY A 4 -15.507 4.808 -0.665 1.00 2.03 H new ATOM 0 HA3 GLY A 4 -13.883 4.276 -0.277 1.00 2.03 H new ATOM 52 N GLN A 5 -14.334 6.930 0.336 1.00 1.92 N ATOM 53 CA GLN A 5 -13.945 8.302 0.621 1.00 1.96 C ATOM 54 C GLN A 5 -12.721 8.321 1.528 1.00 1.53 C ATOM 55 O GLN A 5 -12.791 7.898 2.686 1.00 1.64 O ATOM 56 CB GLN A 5 -15.093 9.075 1.287 1.00 2.55 C ATOM 57 CG GLN A 5 -16.269 9.396 0.369 1.00 3.13 C ATOM 58 CD GLN A 5 -17.100 8.180 -0.003 1.00 3.34 C ATOM 59 OE1 GLN A 5 -16.844 7.519 -1.009 1.00 3.26 O ATOM 60 NE2 GLN A 5 -18.100 7.875 0.809 1.00 4.17 N ATOM 0 H GLN A 5 -14.856 6.477 1.086 1.00 1.92 H new ATOM 0 HA GLN A 5 -13.705 8.788 -0.325 1.00 1.96 H new ATOM 0 HB2 GLN A 5 -15.460 8.494 2.133 1.00 2.55 H new ATOM 0 HB3 GLN A 5 -14.698 10.009 1.688 1.00 2.55 H new ATOM 0 HG2 GLN A 5 -16.911 10.129 0.858 1.00 3.13 H new ATOM 0 HG3 GLN A 5 -15.892 9.860 -0.542 1.00 3.13 H new ATOM 0 HE21 GLN A 5 -18.280 8.448 1.633 1.00 4.17 H new ATOM 0 HE22 GLN A 5 -18.690 7.067 0.610 1.00 4.17 H new ATOM 69 N CYS A 6 -11.599 8.786 1.001 1.00 1.29 N ATOM 70 CA CYS A 6 -10.381 8.894 1.791 1.00 0.94 C ATOM 71 C CYS A 6 -9.508 10.036 1.278 1.00 0.96 C ATOM 72 O CYS A 6 -8.489 9.808 0.619 1.00 1.88 O ATOM 73 CB CYS A 6 -9.596 7.579 1.769 1.00 0.81 C ATOM 74 SG CYS A 6 -8.208 7.533 2.945 1.00 0.61 S ATOM 0 H CYS A 6 -11.506 9.094 0.033 1.00 1.29 H new ATOM 0 HA CYS A 6 -10.667 9.107 2.821 1.00 0.94 H new ATOM 0 HB2 CYS A 6 -10.276 6.757 1.992 1.00 0.81 H new ATOM 0 HB3 CYS A 6 -9.213 7.412 0.762 1.00 0.81 H new ATOM 79 N SER A 7 -9.932 11.265 1.570 1.00 0.91 N ATOM 80 CA SER A 7 -9.174 12.460 1.214 1.00 0.99 C ATOM 81 C SER A 7 -8.881 12.493 -0.292 1.00 1.25 C ATOM 82 O SER A 7 -9.714 12.083 -1.107 1.00 1.82 O ATOM 83 CB SER A 7 -7.872 12.507 2.034 1.00 1.55 C ATOM 84 OG SER A 7 -7.220 13.764 1.918 1.00 2.40 O ATOM 0 H SER A 7 -10.807 11.458 2.058 1.00 0.91 H new ATOM 0 HA SER A 7 -9.769 13.342 1.450 1.00 0.99 H new ATOM 0 HB2 SER A 7 -8.095 12.309 3.082 1.00 1.55 H new ATOM 0 HB3 SER A 7 -7.201 11.717 1.696 1.00 1.55 H new ATOM 0 HG SER A 7 -6.399 13.757 2.453 1.00 2.40 H new ATOM 90 N THR A 8 -7.707 12.986 -0.653 1.00 1.48 N ATOM 91 CA THR A 8 -7.280 13.026 -2.040 1.00 2.09 C ATOM 92 C THR A 8 -6.440 11.794 -2.387 1.00 1.70 C ATOM 93 O THR A 8 -5.679 11.796 -3.360 1.00 2.23 O ATOM 94 CB THR A 8 -6.464 14.302 -2.320 1.00 2.93 C ATOM 95 OG1 THR A 8 -5.407 14.430 -1.357 1.00 3.15 O ATOM 96 CG2 THR A 8 -7.351 15.537 -2.272 1.00 3.75 C ATOM 0 H THR A 8 -7.027 13.368 0.005 1.00 1.48 H new ATOM 0 HA THR A 8 -8.174 13.030 -2.663 1.00 2.09 H new ATOM 0 HB THR A 8 -6.038 14.220 -3.320 1.00 2.93 H new ATOM 0 HG1 THR A 8 -4.892 15.243 -1.543 1.00 3.15 H new ATOM 0 HG21 THR A 8 -6.751 16.424 -2.473 1.00 3.75 H new ATOM 0 HG22 THR A 8 -8.135 15.451 -3.024 1.00 3.75 H new ATOM 0 HG23 THR A 8 -7.804 15.622 -1.284 1.00 3.75 H new ATOM 104 N GLY A 9 -6.583 10.745 -1.587 1.00 0.97 N ATOM 105 CA GLY A 9 -5.781 9.554 -1.774 1.00 0.72 C ATOM 106 C GLY A 9 -6.534 8.442 -2.477 1.00 0.71 C ATOM 107 O GLY A 9 -7.589 8.668 -3.074 1.00 1.12 O ATOM 0 H GLY A 9 -7.242 10.699 -0.810 1.00 0.97 H new ATOM 0 HA2 GLY A 9 -4.893 9.807 -2.353 1.00 0.72 H new ATOM 0 HA3 GLY A 9 -5.438 9.197 -0.803 1.00 0.72 H new ATOM 111 N SER A 10 -5.982 7.245 -2.409 1.00 0.38 N ATOM 112 CA SER A 10 -6.564 6.074 -3.038 1.00 0.39 C ATOM 113 C SER A 10 -6.794 5.002 -1.983 1.00 0.28 C ATOM 114 O SER A 10 -6.099 4.970 -0.971 1.00 0.29 O ATOM 115 CB SER A 10 -5.627 5.551 -4.134 1.00 0.52 C ATOM 116 OG SER A 10 -6.221 4.493 -4.870 1.00 0.96 O ATOM 0 H SER A 10 -5.111 7.057 -1.912 1.00 0.38 H new ATOM 0 HA SER A 10 -7.518 6.338 -3.495 1.00 0.39 H new ATOM 0 HB2 SER A 10 -5.368 6.365 -4.811 1.00 0.52 H new ATOM 0 HB3 SER A 10 -4.697 5.204 -3.683 1.00 0.52 H new ATOM 0 HG SER A 10 -5.671 4.292 -5.656 1.00 0.96 H new ATOM 122 N ILE A 11 -7.785 4.149 -2.189 1.00 0.32 N ATOM 123 CA ILE A 11 -8.037 3.073 -1.250 1.00 0.27 C ATOM 124 C ILE A 11 -7.753 1.725 -1.874 1.00 0.20 C ATOM 125 O ILE A 11 -8.214 1.407 -2.972 1.00 0.26 O ATOM 126 CB ILE A 11 -9.471 3.095 -0.703 1.00 0.39 C ATOM 127 CG1 ILE A 11 -9.738 4.436 -0.045 1.00 0.50 C ATOM 128 CG2 ILE A 11 -9.687 1.967 0.299 1.00 0.40 C ATOM 129 CD1 ILE A 11 -11.059 4.490 0.676 1.00 0.96 C ATOM 0 H ILE A 11 -8.419 4.181 -2.987 1.00 0.32 H new ATOM 0 HA ILE A 11 -7.357 3.233 -0.414 1.00 0.27 H new ATOM 0 HB ILE A 11 -10.165 2.949 -1.530 1.00 0.39 H new ATOM 0 HG12 ILE A 11 -8.937 4.653 0.661 1.00 0.50 H new ATOM 0 HG13 ILE A 11 -9.714 5.217 -0.804 1.00 0.50 H new ATOM 0 HG21 ILE A 11 -10.710 2.003 0.673 1.00 0.40 H new ATOM 0 HG22 ILE A 11 -9.513 1.008 -0.189 1.00 0.40 H new ATOM 0 HG23 ILE A 11 -8.993 2.082 1.131 1.00 0.40 H new ATOM 0 HD11 ILE A 11 -11.189 5.475 1.124 1.00 0.96 H new ATOM 0 HD12 ILE A 11 -11.867 4.304 -0.031 1.00 0.96 H new ATOM 0 HD13 ILE A 11 -11.078 3.730 1.457 1.00 0.96 H new ATOM 141 N GLN A 12 -6.997 0.940 -1.145 1.00 0.13 N ATOM 142 CA GLN A 12 -6.594 -0.385 -1.588 1.00 0.10 C ATOM 143 C GLN A 12 -6.481 -1.328 -0.406 1.00 0.11 C ATOM 144 O GLN A 12 -6.576 -0.911 0.749 1.00 0.17 O ATOM 145 CB GLN A 12 -5.265 -0.368 -2.372 1.00 0.12 C ATOM 146 CG GLN A 12 -4.260 0.691 -1.936 1.00 0.22 C ATOM 147 CD GLN A 12 -4.506 2.047 -2.580 1.00 0.39 C ATOM 148 OE1 GLN A 12 -4.282 3.083 -1.961 1.00 0.91 O ATOM 149 NE2 GLN A 12 -4.917 2.051 -3.843 1.00 0.35 N ATOM 0 H GLN A 12 -6.640 1.197 -0.225 1.00 0.13 H new ATOM 0 HA GLN A 12 -7.370 -0.739 -2.267 1.00 0.10 H new ATOM 0 HB2 GLN A 12 -4.797 -1.348 -2.280 1.00 0.12 H new ATOM 0 HB3 GLN A 12 -5.488 -0.219 -3.428 1.00 0.12 H new ATOM 0 HG2 GLN A 12 -4.300 0.797 -0.852 1.00 0.22 H new ATOM 0 HG3 GLN A 12 -3.254 0.354 -2.186 1.00 0.22 H new ATOM 0 HE21 GLN A 12 -5.093 1.169 -4.325 1.00 0.35 H new ATOM 0 HE22 GLN A 12 -5.057 2.936 -4.331 1.00 0.35 H new ATOM 158 N CYS A 13 -6.310 -2.600 -0.701 1.00 0.12 N ATOM 159 CA CYS A 13 -6.144 -3.599 0.328 1.00 0.16 C ATOM 160 C CYS A 13 -4.804 -4.286 0.160 1.00 0.13 C ATOM 161 O CYS A 13 -4.598 -5.069 -0.772 1.00 0.15 O ATOM 162 CB CYS A 13 -7.281 -4.619 0.295 1.00 0.25 C ATOM 163 SG CYS A 13 -7.071 -5.989 1.476 1.00 0.34 S ATOM 0 H CYS A 13 -6.283 -2.966 -1.653 1.00 0.12 H new ATOM 0 HA CYS A 13 -6.173 -3.106 1.300 1.00 0.16 H new ATOM 0 HB2 CYS A 13 -8.221 -4.109 0.507 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -7.361 -5.028 -0.712 1.00 0.25 H new ATOM 168 N CYS A 14 -3.889 -3.964 1.055 1.00 0.12 N ATOM 169 CA CYS A 14 -2.542 -4.483 0.992 1.00 0.12 C ATOM 170 C CYS A 14 -2.456 -5.836 1.654 1.00 0.15 C ATOM 171 O CYS A 14 -2.882 -6.019 2.794 1.00 0.19 O ATOM 172 CB CYS A 14 -1.563 -3.535 1.672 1.00 0.14 C ATOM 173 SG CYS A 14 -1.290 -1.954 0.800 1.00 0.13 S ATOM 0 H CYS A 14 -4.061 -3.338 1.842 1.00 0.12 H new ATOM 0 HA CYS A 14 -2.278 -4.579 -0.061 1.00 0.12 H new ATOM 0 HB2 CYS A 14 -1.926 -3.321 2.677 1.00 0.14 H new ATOM 0 HB3 CYS A 14 -0.605 -4.043 1.781 1.00 0.14 H new ATOM 178 N GLN A 15 -1.917 -6.786 0.919 1.00 0.15 N ATOM 179 CA GLN A 15 -1.643 -8.096 1.450 1.00 0.16 C ATOM 180 C GLN A 15 -0.527 -7.999 2.491 1.00 0.18 C ATOM 181 O GLN A 15 -0.555 -8.682 3.516 1.00 0.23 O ATOM 182 CB GLN A 15 -1.319 -9.056 0.288 1.00 0.17 C ATOM 183 CG GLN A 15 0.043 -9.732 0.346 1.00 0.23 C ATOM 184 CD GLN A 15 0.136 -10.809 1.416 1.00 0.31 C ATOM 185 OE1 GLN A 15 1.203 -11.048 1.978 1.00 0.38 O ATOM 186 NE2 GLN A 15 -0.979 -11.464 1.702 1.00 0.33 N ATOM 0 H GLN A 15 -1.659 -6.668 -0.061 1.00 0.15 H new ATOM 0 HA GLN A 15 -2.514 -8.503 1.963 1.00 0.16 H new ATOM 0 HB2 GLN A 15 -2.086 -9.830 0.256 1.00 0.17 H new ATOM 0 HB3 GLN A 15 -1.388 -8.500 -0.647 1.00 0.17 H new ATOM 0 HG2 GLN A 15 0.262 -10.175 -0.625 1.00 0.23 H new ATOM 0 HG3 GLN A 15 0.807 -8.978 0.532 1.00 0.23 H new ATOM 0 HE21 GLN A 15 -1.844 -11.236 1.213 1.00 0.33 H new ATOM 0 HE22 GLN A 15 -0.972 -12.197 2.411 1.00 0.33 H new ATOM 195 N ASN A 16 0.433 -7.115 2.243 1.00 0.17 N ATOM 196 CA ASN A 16 1.529 -6.888 3.173 1.00 0.21 C ATOM 197 C ASN A 16 1.761 -5.397 3.375 1.00 0.21 C ATOM 198 O ASN A 16 2.194 -4.698 2.461 1.00 0.40 O ATOM 199 CB ASN A 16 2.811 -7.512 2.647 1.00 0.29 C ATOM 200 CG ASN A 16 3.561 -8.294 3.704 1.00 0.62 C ATOM 201 OD1 ASN A 16 3.503 -7.979 4.896 1.00 1.03 O ATOM 202 ND2 ASN A 16 4.269 -9.321 3.271 1.00 0.75 N ATOM 0 H ASN A 16 0.473 -6.542 1.400 1.00 0.17 H new ATOM 0 HA ASN A 16 1.258 -7.348 4.123 1.00 0.21 H new ATOM 0 HB2 ASN A 16 2.572 -8.173 1.814 1.00 0.29 H new ATOM 0 HB3 ASN A 16 3.458 -6.727 2.256 1.00 0.29 H new ATOM 0 HD21 ASN A 16 4.797 -9.891 3.932 1.00 0.75 H new ATOM 0 HD22 ASN A 16 4.288 -9.544 2.276 1.00 0.75 H new ATOM 209 N VAL A 17 1.465 -4.912 4.564 1.00 0.16 N ATOM 210 CA VAL A 17 1.719 -3.518 4.902 1.00 0.13 C ATOM 211 C VAL A 17 3.030 -3.404 5.668 1.00 0.14 C ATOM 212 O VAL A 17 3.118 -3.811 6.826 1.00 0.18 O ATOM 213 CB VAL A 17 0.573 -2.905 5.739 1.00 0.14 C ATOM 214 CG1 VAL A 17 0.887 -1.463 6.118 1.00 0.17 C ATOM 215 CG2 VAL A 17 -0.735 -2.977 4.972 1.00 0.14 C ATOM 0 H VAL A 17 1.048 -5.460 5.316 1.00 0.16 H new ATOM 0 HA VAL A 17 1.782 -2.960 3.968 1.00 0.13 H new ATOM 0 HB VAL A 17 0.474 -3.483 6.658 1.00 0.14 H new ATOM 0 HG11 VAL A 17 0.065 -1.054 6.706 1.00 0.17 H new ATOM 0 HG12 VAL A 17 1.804 -1.433 6.706 1.00 0.17 H new ATOM 0 HG13 VAL A 17 1.016 -0.869 5.213 1.00 0.17 H new ATOM 0 HG21 VAL A 17 -1.534 -2.542 5.573 1.00 0.14 H new ATOM 0 HG22 VAL A 17 -0.640 -2.423 4.038 1.00 0.14 H new ATOM 0 HG23 VAL A 17 -0.972 -4.018 4.753 1.00 0.14 H new ATOM 225 N VAL A 18 4.051 -2.885 5.008 1.00 0.12 N ATOM 226 CA VAL A 18 5.373 -2.786 5.605 1.00 0.13 C ATOM 227 C VAL A 18 5.957 -1.389 5.413 1.00 0.12 C ATOM 228 O VAL A 18 5.767 -0.765 4.371 1.00 0.12 O ATOM 229 CB VAL A 18 6.342 -3.828 5.001 1.00 0.13 C ATOM 230 CG1 VAL A 18 5.940 -5.240 5.406 1.00 0.18 C ATOM 231 CG2 VAL A 18 6.390 -3.705 3.485 1.00 0.13 C ATOM 0 H VAL A 18 3.990 -2.525 4.056 1.00 0.12 H new ATOM 0 HA VAL A 18 5.258 -2.985 6.670 1.00 0.13 H new ATOM 0 HB VAL A 18 7.339 -3.628 5.395 1.00 0.13 H new ATOM 0 HG11 VAL A 18 6.636 -5.956 4.969 1.00 0.18 H new ATOM 0 HG12 VAL A 18 5.963 -5.328 6.492 1.00 0.18 H new ATOM 0 HG13 VAL A 18 4.932 -5.449 5.047 1.00 0.18 H new ATOM 0 HG21 VAL A 18 7.078 -4.448 3.081 1.00 0.13 H new ATOM 0 HG22 VAL A 18 5.394 -3.872 3.075 1.00 0.13 H new ATOM 0 HG23 VAL A 18 6.732 -2.707 3.212 1.00 0.13 H new ATOM 241 N PRO A 19 6.640 -0.860 6.436 1.00 0.14 N ATOM 242 CA PRO A 19 7.374 0.400 6.320 1.00 0.15 C ATOM 243 C PRO A 19 8.461 0.324 5.256 1.00 0.12 C ATOM 244 O PRO A 19 9.136 -0.696 5.114 1.00 0.10 O ATOM 245 CB PRO A 19 7.993 0.599 7.706 1.00 0.17 C ATOM 246 CG PRO A 19 7.190 -0.262 8.620 1.00 0.19 C ATOM 247 CD PRO A 19 6.724 -1.426 7.791 1.00 0.17 C ATOM 0 HA PRO A 19 6.725 1.222 6.019 1.00 0.15 H new ATOM 0 HB2 PRO A 19 9.044 0.309 7.713 1.00 0.17 H new ATOM 0 HB3 PRO A 19 7.949 1.645 8.010 1.00 0.17 H new ATOM 0 HG2 PRO A 19 7.790 -0.600 9.465 1.00 0.19 H new ATOM 0 HG3 PRO A 19 6.343 0.288 9.031 1.00 0.19 H new ATOM 0 HD2 PRO A 19 7.425 -2.259 7.837 1.00 0.17 H new ATOM 0 HD3 PRO A 19 5.759 -1.802 8.131 1.00 0.17 H new ATOM 255 N GLY A 20 8.618 1.402 4.500 1.00 0.14 N ATOM 256 CA GLY A 20 9.613 1.437 3.446 1.00 0.13 C ATOM 257 C GLY A 20 11.029 1.394 3.984 1.00 0.14 C ATOM 258 O GLY A 20 11.964 1.060 3.259 1.00 0.18 O ATOM 0 H GLY A 20 8.071 2.257 4.599 1.00 0.14 H new ATOM 0 HA2 GLY A 20 9.457 0.592 2.775 1.00 0.13 H new ATOM 0 HA3 GLY A 20 9.480 2.343 2.855 1.00 0.13 H new ATOM 262 N ASP A 21 11.184 1.738 5.257 1.00 0.17 N ATOM 263 CA ASP A 21 12.478 1.672 5.925 1.00 0.21 C ATOM 264 C ASP A 21 12.557 0.412 6.780 1.00 0.19 C ATOM 265 O ASP A 21 13.518 0.204 7.517 1.00 0.23 O ATOM 266 CB ASP A 21 12.696 2.909 6.804 1.00 0.31 C ATOM 267 CG ASP A 21 11.887 2.871 8.089 1.00 1.23 C ATOM 268 OD1 ASP A 21 12.487 3.015 9.177 1.00 1.22 O ATOM 269 OD2 ASP A 21 10.652 2.690 8.023 1.00 2.27 O ATOM 0 H ASP A 21 10.423 2.068 5.851 1.00 0.17 H new ATOM 0 HA ASP A 21 13.258 1.643 5.165 1.00 0.21 H new ATOM 0 HB2 ASP A 21 13.755 2.992 7.049 1.00 0.31 H new ATOM 0 HB3 ASP A 21 12.429 3.802 6.239 1.00 0.31 H new ATOM 274 N SER A 22 11.530 -0.421 6.678 1.00 0.16 N ATOM 275 CA SER A 22 11.498 -1.685 7.389 1.00 0.17 C ATOM 276 C SER A 22 12.382 -2.696 6.689 1.00 0.16 C ATOM 277 O SER A 22 12.572 -2.611 5.480 1.00 0.14 O ATOM 278 CB SER A 22 10.066 -2.222 7.469 1.00 0.18 C ATOM 279 OG SER A 22 10.017 -3.520 8.037 1.00 0.24 O ATOM 0 H SER A 22 10.705 -0.240 6.106 1.00 0.16 H new ATOM 0 HA SER A 22 11.868 -1.520 8.401 1.00 0.17 H new ATOM 0 HB2 SER A 22 9.457 -1.542 8.065 1.00 0.18 H new ATOM 0 HB3 SER A 22 9.632 -2.247 6.470 1.00 0.18 H new ATOM 0 HG SER A 22 9.087 -3.827 8.072 1.00 0.24 H new ATOM 285 N ASP A 23 12.902 -3.654 7.436 1.00 0.20 N ATOM 286 CA ASP A 23 13.747 -4.697 6.859 1.00 0.22 C ATOM 287 C ASP A 23 13.058 -5.335 5.664 1.00 0.20 C ATOM 288 O ASP A 23 13.682 -5.583 4.630 1.00 0.22 O ATOM 289 CB ASP A 23 14.070 -5.776 7.896 1.00 0.29 C ATOM 290 CG ASP A 23 15.228 -5.406 8.798 1.00 0.59 C ATOM 291 OD1 ASP A 23 15.187 -4.326 9.420 1.00 1.06 O ATOM 292 OD2 ASP A 23 16.178 -6.207 8.906 1.00 0.61 O ATOM 0 H ASP A 23 12.757 -3.736 8.442 1.00 0.20 H new ATOM 0 HA ASP A 23 14.678 -4.231 6.535 1.00 0.22 H new ATOM 0 HB2 ASP A 23 13.186 -5.960 8.507 1.00 0.29 H new ATOM 0 HB3 ASP A 23 14.302 -6.708 7.381 1.00 0.29 H new ATOM 297 N LEU A 24 11.759 -5.561 5.801 1.00 0.20 N ATOM 298 CA LEU A 24 10.977 -6.145 4.728 1.00 0.21 C ATOM 299 C LEU A 24 10.767 -5.139 3.611 1.00 0.17 C ATOM 300 O LEU A 24 11.247 -5.337 2.500 1.00 0.18 O ATOM 301 CB LEU A 24 9.630 -6.642 5.251 1.00 0.26 C ATOM 302 CG LEU A 24 9.552 -8.142 5.538 1.00 0.35 C ATOM 303 CD1 LEU A 24 9.706 -8.935 4.249 1.00 1.03 C ATOM 304 CD2 LEU A 24 10.613 -8.554 6.546 1.00 1.11 C ATOM 0 H LEU A 24 11.228 -5.348 6.645 1.00 0.20 H new ATOM 0 HA LEU A 24 11.530 -6.996 4.330 1.00 0.21 H new ATOM 0 HB2 LEU A 24 9.393 -6.101 6.167 1.00 0.26 H new ATOM 0 HB3 LEU A 24 8.860 -6.388 4.522 1.00 0.26 H new ATOM 0 HG LEU A 24 8.573 -8.359 5.966 1.00 0.35 H new ATOM 0 HD11 LEU A 24 9.648 -10.001 4.469 1.00 1.03 H new ATOM 0 HD12 LEU A 24 8.909 -8.663 3.557 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.672 -8.709 3.796 1.00 1.03 H new ATOM 0 HD21 LEU A 24 10.539 -9.625 6.735 1.00 1.11 H new ATOM 0 HD22 LEU A 24 11.601 -8.323 6.149 1.00 1.11 H new ATOM 0 HD23 LEU A 24 10.460 -8.010 7.478 1.00 1.11 H new ATOM 316 N GLY A 25 10.077 -4.046 3.928 1.00 0.14 N ATOM 317 CA GLY A 25 9.732 -3.048 2.927 1.00 0.12 C ATOM 318 C GLY A 25 10.927 -2.565 2.131 1.00 0.12 C ATOM 319 O GLY A 25 10.839 -2.380 0.918 1.00 0.16 O ATOM 0 H GLY A 25 9.748 -3.832 4.869 1.00 0.14 H new ATOM 0 HA2 GLY A 25 8.994 -3.468 2.244 1.00 0.12 H new ATOM 0 HA3 GLY A 25 9.263 -2.196 3.419 1.00 0.12 H new ATOM 323 N THR A 26 12.050 -2.399 2.809 1.00 0.13 N ATOM 324 CA THR A 26 13.261 -1.917 2.173 1.00 0.16 C ATOM 325 C THR A 26 13.785 -2.942 1.178 1.00 0.20 C ATOM 326 O THR A 26 14.083 -2.610 0.032 1.00 0.24 O ATOM 327 CB THR A 26 14.343 -1.595 3.224 1.00 0.18 C ATOM 328 OG1 THR A 26 13.845 -0.622 4.150 1.00 0.20 O ATOM 329 CG2 THR A 26 15.606 -1.059 2.579 1.00 0.23 C ATOM 0 H THR A 26 12.147 -2.593 3.806 1.00 0.13 H new ATOM 0 HA THR A 26 13.018 -1.000 1.637 1.00 0.16 H new ATOM 0 HB THR A 26 14.586 -2.523 3.742 1.00 0.18 H new ATOM 0 HG1 THR A 26 13.277 0.020 3.676 1.00 0.20 H new ATOM 0 HG21 THR A 26 16.345 -0.844 3.350 1.00 0.23 H new ATOM 0 HG22 THR A 26 16.007 -1.803 1.890 1.00 0.23 H new ATOM 0 HG23 THR A 26 15.375 -0.145 2.032 1.00 0.23 H new ATOM 337 N LEU A 27 13.860 -4.192 1.609 1.00 0.21 N ATOM 338 CA LEU A 27 14.323 -5.269 0.748 1.00 0.28 C ATOM 339 C LEU A 27 13.333 -5.477 -0.396 1.00 0.29 C ATOM 340 O LEU A 27 13.725 -5.786 -1.524 1.00 0.34 O ATOM 341 CB LEU A 27 14.494 -6.554 1.572 1.00 0.33 C ATOM 342 CG LEU A 27 15.359 -7.663 0.947 1.00 0.57 C ATOM 343 CD1 LEU A 27 14.602 -8.416 -0.139 1.00 1.01 C ATOM 344 CD2 LEU A 27 16.650 -7.082 0.390 1.00 1.00 C ATOM 0 H LEU A 27 13.606 -4.486 2.552 1.00 0.21 H new ATOM 0 HA LEU A 27 15.290 -5.006 0.319 1.00 0.28 H new ATOM 0 HB2 LEU A 27 14.928 -6.286 2.535 1.00 0.33 H new ATOM 0 HB3 LEU A 27 13.504 -6.965 1.771 1.00 0.33 H new ATOM 0 HG LEU A 27 15.605 -8.375 1.735 1.00 0.57 H new ATOM 0 HD11 LEU A 27 15.243 -9.192 -0.558 1.00 1.01 H new ATOM 0 HD12 LEU A 27 13.711 -8.874 0.290 1.00 1.01 H new ATOM 0 HD13 LEU A 27 14.310 -7.722 -0.927 1.00 1.01 H new ATOM 0 HD21 LEU A 27 17.249 -7.880 -0.048 1.00 1.00 H new ATOM 0 HD22 LEU A 27 16.416 -6.342 -0.376 1.00 1.00 H new ATOM 0 HD23 LEU A 27 17.212 -6.606 1.194 1.00 1.00 H new ATOM 356 N LEU A 28 12.053 -5.265 -0.109 1.00 0.27 N ATOM 357 CA LEU A 28 11.007 -5.470 -1.099 1.00 0.31 C ATOM 358 C LEU A 28 11.109 -4.438 -2.212 1.00 0.32 C ATOM 359 O LEU A 28 11.010 -4.775 -3.392 1.00 0.37 O ATOM 360 CB LEU A 28 9.613 -5.409 -0.461 1.00 0.31 C ATOM 361 CG LEU A 28 9.340 -6.422 0.657 1.00 0.31 C ATOM 362 CD1 LEU A 28 7.850 -6.519 0.940 1.00 0.34 C ATOM 363 CD2 LEU A 28 9.919 -7.783 0.310 1.00 0.37 C ATOM 0 H LEU A 28 11.717 -4.951 0.802 1.00 0.27 H new ATOM 0 HA LEU A 28 11.149 -6.465 -1.521 1.00 0.31 H new ATOM 0 HB2 LEU A 28 9.462 -4.407 -0.060 1.00 0.31 H new ATOM 0 HB3 LEU A 28 8.870 -5.554 -1.245 1.00 0.31 H new ATOM 0 HG LEU A 28 9.835 -6.071 1.563 1.00 0.31 H new ATOM 0 HD11 LEU A 28 7.677 -7.243 1.736 1.00 0.34 H new ATOM 0 HD12 LEU A 28 7.474 -5.544 1.249 1.00 0.34 H new ATOM 0 HD13 LEU A 28 7.329 -6.840 0.038 1.00 0.34 H new ATOM 0 HD21 LEU A 28 9.712 -8.484 1.119 1.00 0.37 H new ATOM 0 HD22 LEU A 28 9.464 -8.148 -0.611 1.00 0.37 H new ATOM 0 HD23 LEU A 28 10.997 -7.696 0.173 1.00 0.37 H new ATOM 375 N LEU A 29 11.324 -3.180 -1.842 1.00 0.30 N ATOM 376 CA LEU A 29 11.428 -2.121 -2.833 1.00 0.32 C ATOM 377 C LEU A 29 12.814 -2.115 -3.468 1.00 0.36 C ATOM 378 O LEU A 29 12.997 -1.615 -4.574 1.00 0.41 O ATOM 379 CB LEU A 29 11.071 -0.756 -2.221 1.00 0.30 C ATOM 380 CG LEU A 29 11.962 -0.222 -1.089 1.00 0.29 C ATOM 381 CD1 LEU A 29 13.278 0.332 -1.620 1.00 0.31 C ATOM 382 CD2 LEU A 29 11.215 0.857 -0.328 1.00 0.31 C ATOM 0 H LEU A 29 11.428 -2.873 -0.875 1.00 0.30 H new ATOM 0 HA LEU A 29 10.705 -2.316 -3.625 1.00 0.32 H new ATOM 0 HB2 LEU A 29 11.072 -0.019 -3.024 1.00 0.30 H new ATOM 0 HB3 LEU A 29 10.050 -0.815 -1.844 1.00 0.30 H new ATOM 0 HG LEU A 29 12.200 -1.052 -0.423 1.00 0.29 H new ATOM 0 HD11 LEU A 29 13.880 0.700 -0.789 1.00 0.31 H new ATOM 0 HD12 LEU A 29 13.821 -0.457 -2.140 1.00 0.31 H new ATOM 0 HD13 LEU A 29 13.076 1.150 -2.311 1.00 0.31 H new ATOM 0 HD21 LEU A 29 11.845 1.238 0.476 1.00 0.31 H new ATOM 0 HD22 LEU A 29 10.961 1.671 -1.007 1.00 0.31 H new ATOM 0 HD23 LEU A 29 10.301 0.438 0.094 1.00 0.31 H new ATOM 394 N ASP A 30 13.782 -2.670 -2.752 1.00 0.34 N ATOM 395 CA ASP A 30 15.126 -2.882 -3.286 1.00 0.39 C ATOM 396 C ASP A 30 15.065 -3.866 -4.441 1.00 0.43 C ATOM 397 O ASP A 30 15.787 -3.752 -5.430 1.00 0.49 O ATOM 398 CB ASP A 30 16.037 -3.433 -2.189 1.00 0.41 C ATOM 399 CG ASP A 30 17.447 -3.712 -2.667 1.00 0.54 C ATOM 400 OD1 ASP A 30 17.712 -4.839 -3.137 1.00 0.66 O ATOM 401 OD2 ASP A 30 18.292 -2.794 -2.592 1.00 0.63 O ATOM 0 H ASP A 30 13.662 -2.986 -1.789 1.00 0.34 H new ATOM 0 HA ASP A 30 15.526 -1.932 -3.641 1.00 0.39 H new ATOM 0 HB2 ASP A 30 16.074 -2.720 -1.365 1.00 0.41 H new ATOM 0 HB3 ASP A 30 15.605 -4.353 -1.795 1.00 0.41 H new ATOM 406 N GLU A 31 14.164 -4.820 -4.301 1.00 0.43 N ATOM 407 CA GLU A 31 13.946 -5.845 -5.293 1.00 0.49 C ATOM 408 C GLU A 31 13.194 -5.264 -6.480 1.00 0.51 C ATOM 409 O GLU A 31 13.467 -5.581 -7.635 1.00 0.62 O ATOM 410 CB GLU A 31 13.150 -6.971 -4.645 1.00 0.52 C ATOM 411 CG GLU A 31 12.501 -7.914 -5.628 1.00 0.97 C ATOM 412 CD GLU A 31 11.623 -8.943 -4.951 1.00 1.46 C ATOM 413 OE1 GLU A 31 10.405 -8.700 -4.826 1.00 1.76 O ATOM 414 OE2 GLU A 31 12.143 -9.999 -4.539 1.00 2.07 O ATOM 0 H GLU A 31 13.558 -4.902 -3.484 1.00 0.43 H new ATOM 0 HA GLU A 31 14.897 -6.233 -5.658 1.00 0.49 H new ATOM 0 HB2 GLU A 31 13.813 -7.542 -3.994 1.00 0.52 H new ATOM 0 HB3 GLU A 31 12.377 -6.536 -4.011 1.00 0.52 H new ATOM 0 HG2 GLU A 31 11.903 -7.340 -6.336 1.00 0.97 H new ATOM 0 HG3 GLU A 31 13.275 -8.423 -6.203 1.00 0.97 H new ATOM 421 N LEU A 32 12.255 -4.394 -6.166 1.00 0.52 N ATOM 422 CA LEU A 32 11.388 -3.788 -7.162 1.00 0.58 C ATOM 423 C LEU A 32 12.050 -2.604 -7.863 1.00 0.61 C ATOM 424 O LEU A 32 11.635 -2.204 -8.952 1.00 0.71 O ATOM 425 CB LEU A 32 10.097 -3.346 -6.484 1.00 0.56 C ATOM 426 CG LEU A 32 9.156 -4.483 -6.086 1.00 0.57 C ATOM 427 CD1 LEU A 32 7.957 -3.938 -5.335 1.00 0.57 C ATOM 428 CD2 LEU A 32 8.707 -5.263 -7.312 1.00 0.64 C ATOM 0 H LEU A 32 12.070 -4.085 -5.212 1.00 0.52 H new ATOM 0 HA LEU A 32 11.178 -4.531 -7.931 1.00 0.58 H new ATOM 0 HB2 LEU A 32 10.350 -2.774 -5.591 1.00 0.56 H new ATOM 0 HB3 LEU A 32 9.565 -2.671 -7.154 1.00 0.56 H new ATOM 0 HG LEU A 32 9.698 -5.163 -5.428 1.00 0.57 H new ATOM 0 HD11 LEU A 32 7.296 -4.760 -5.059 1.00 0.57 H new ATOM 0 HD12 LEU A 32 8.294 -3.425 -4.434 1.00 0.57 H new ATOM 0 HD13 LEU A 32 7.417 -3.237 -5.971 1.00 0.57 H new ATOM 0 HD21 LEU A 32 8.038 -6.068 -7.007 1.00 0.64 H new ATOM 0 HD22 LEU A 32 8.183 -4.596 -7.996 1.00 0.64 H new ATOM 0 HD23 LEU A 32 9.578 -5.686 -7.813 1.00 0.64 H new ATOM 440 N GLY A 33 13.072 -2.047 -7.229 1.00 0.57 N ATOM 441 CA GLY A 33 13.795 -0.929 -7.806 1.00 0.62 C ATOM 442 C GLY A 33 13.070 0.388 -7.612 1.00 0.63 C ATOM 443 O GLY A 33 13.136 1.274 -8.466 1.00 0.75 O ATOM 0 H GLY A 33 13.416 -2.351 -6.318 1.00 0.57 H new ATOM 0 HA2 GLY A 33 14.784 -0.867 -7.353 1.00 0.62 H new ATOM 0 HA3 GLY A 33 13.943 -1.106 -8.871 1.00 0.62 H new ATOM 447 N ILE A 34 12.390 0.523 -6.481 1.00 0.54 N ATOM 448 CA ILE A 34 11.593 1.714 -6.207 1.00 0.58 C ATOM 449 C ILE A 34 12.448 2.810 -5.595 1.00 0.65 C ATOM 450 O ILE A 34 13.195 2.571 -4.646 1.00 0.68 O ATOM 451 CB ILE A 34 10.430 1.415 -5.241 1.00 0.51 C ATOM 452 CG1 ILE A 34 9.641 0.196 -5.721 1.00 0.55 C ATOM 453 CG2 ILE A 34 9.517 2.629 -5.123 1.00 0.58 C ATOM 454 CD1 ILE A 34 8.574 -0.251 -4.750 1.00 0.56 C ATOM 0 H ILE A 34 12.374 -0.176 -5.738 1.00 0.54 H new ATOM 0 HA ILE A 34 11.190 2.042 -7.165 1.00 0.58 H new ATOM 0 HB ILE A 34 10.841 1.194 -4.256 1.00 0.51 H new ATOM 0 HG12 ILE A 34 9.175 0.429 -6.679 1.00 0.55 H new ATOM 0 HG13 ILE A 34 10.332 -0.629 -5.894 1.00 0.55 H new ATOM 0 HG21 ILE A 34 8.700 2.404 -4.438 1.00 0.58 H new ATOM 0 HG22 ILE A 34 10.087 3.477 -4.743 1.00 0.58 H new ATOM 0 HG23 ILE A 34 9.111 2.875 -6.104 1.00 0.58 H new ATOM 0 HD11 ILE A 34 8.054 -1.119 -5.155 1.00 0.56 H new ATOM 0 HD12 ILE A 34 9.036 -0.515 -3.799 1.00 0.56 H new ATOM 0 HD13 ILE A 34 7.861 0.559 -4.595 1.00 0.56 H new ATOM 466 N VAL A 35 12.339 4.009 -6.138 1.00 0.77 N ATOM 467 CA VAL A 35 13.026 5.153 -5.575 1.00 0.89 C ATOM 468 C VAL A 35 12.143 5.830 -4.537 1.00 0.74 C ATOM 469 O VAL A 35 11.221 6.568 -4.879 1.00 0.90 O ATOM 470 CB VAL A 35 13.419 6.180 -6.656 1.00 1.24 C ATOM 471 CG1 VAL A 35 14.197 7.330 -6.035 1.00 1.84 C ATOM 472 CG2 VAL A 35 14.224 5.514 -7.762 1.00 1.87 C ATOM 0 H VAL A 35 11.782 4.214 -6.967 1.00 0.77 H new ATOM 0 HA VAL A 35 13.940 4.786 -5.109 1.00 0.89 H new ATOM 0 HB VAL A 35 12.508 6.583 -7.099 1.00 1.24 H new ATOM 0 HG11 VAL A 35 14.468 8.047 -6.810 1.00 1.84 H new ATOM 0 HG12 VAL A 35 13.580 7.823 -5.284 1.00 1.84 H new ATOM 0 HG13 VAL A 35 15.102 6.945 -5.565 1.00 1.84 H new ATOM 0 HG21 VAL A 35 14.491 6.256 -8.515 1.00 1.87 H new ATOM 0 HG22 VAL A 35 15.131 5.081 -7.341 1.00 1.87 H new ATOM 0 HG23 VAL A 35 13.627 4.728 -8.224 1.00 1.87 H new ATOM 482 N LEU A 36 12.415 5.558 -3.271 1.00 0.70 N ATOM 483 CA LEU A 36 11.650 6.157 -2.188 1.00 0.66 C ATOM 484 C LEU A 36 11.988 7.632 -2.043 1.00 0.68 C ATOM 485 O LEU A 36 13.153 8.017 -1.948 1.00 0.84 O ATOM 486 CB LEU A 36 11.884 5.415 -0.857 1.00 0.86 C ATOM 487 CG LEU A 36 13.324 4.981 -0.575 1.00 1.90 C ATOM 488 CD1 LEU A 36 14.098 6.097 0.099 1.00 2.62 C ATOM 489 CD2 LEU A 36 13.348 3.720 0.275 1.00 2.76 C ATOM 0 H LEU A 36 13.158 4.928 -2.968 1.00 0.70 H new ATOM 0 HA LEU A 36 10.593 6.066 -2.440 1.00 0.66 H new ATOM 0 HB2 LEU A 36 11.553 6.059 -0.042 1.00 0.86 H new ATOM 0 HB3 LEU A 36 11.249 4.529 -0.841 1.00 0.86 H new ATOM 0 HG LEU A 36 13.806 4.759 -1.527 1.00 1.90 H new ATOM 0 HD11 LEU A 36 15.119 5.767 0.291 1.00 2.62 H new ATOM 0 HD12 LEU A 36 14.115 6.972 -0.551 1.00 2.62 H new ATOM 0 HD13 LEU A 36 13.617 6.355 1.043 1.00 2.62 H new ATOM 0 HD21 LEU A 36 14.381 3.428 0.464 1.00 2.76 H new ATOM 0 HD22 LEU A 36 12.845 3.911 1.223 1.00 2.76 H new ATOM 0 HD23 LEU A 36 12.835 2.916 -0.252 1.00 2.76 H new ATOM 501 N GLU A 37 10.960 8.459 -2.069 1.00 0.72 N ATOM 502 CA GLU A 37 11.117 9.875 -1.791 1.00 0.84 C ATOM 503 C GLU A 37 11.223 10.067 -0.290 1.00 0.76 C ATOM 504 O GLU A 37 11.960 10.920 0.201 1.00 0.88 O ATOM 505 CB GLU A 37 9.930 10.668 -2.335 1.00 1.02 C ATOM 506 CG GLU A 37 9.687 10.465 -3.818 1.00 1.42 C ATOM 507 CD GLU A 37 8.545 11.311 -4.331 1.00 2.06 C ATOM 508 OE1 GLU A 37 7.381 10.880 -4.209 1.00 2.65 O ATOM 509 OE2 GLU A 37 8.804 12.406 -4.868 1.00 2.58 O ATOM 0 H GLU A 37 10.004 8.174 -2.281 1.00 0.72 H new ATOM 0 HA GLU A 37 12.020 10.240 -2.280 1.00 0.84 H new ATOM 0 HB2 GLU A 37 9.032 10.383 -1.787 1.00 1.02 H new ATOM 0 HB3 GLU A 37 10.096 11.728 -2.145 1.00 1.02 H new ATOM 0 HG2 GLU A 37 10.595 10.710 -4.370 1.00 1.42 H new ATOM 0 HG3 GLU A 37 9.472 9.414 -4.008 1.00 1.42 H new ATOM 516 N ASP A 38 10.477 9.241 0.425 1.00 0.61 N ATOM 517 CA ASP A 38 10.489 9.216 1.867 1.00 0.54 C ATOM 518 C ASP A 38 10.312 7.778 2.309 1.00 0.41 C ATOM 519 O ASP A 38 9.231 7.212 2.164 1.00 0.39 O ATOM 520 CB ASP A 38 9.367 10.083 2.448 1.00 0.60 C ATOM 521 CG ASP A 38 9.642 11.567 2.321 1.00 1.20 C ATOM 522 OD1 ASP A 38 10.250 12.145 3.248 1.00 1.20 O ATOM 523 OD2 ASP A 38 9.245 12.169 1.301 1.00 2.29 O ATOM 0 H ASP A 38 9.840 8.562 0.009 1.00 0.61 H new ATOM 0 HA ASP A 38 11.434 9.620 2.230 1.00 0.54 H new ATOM 0 HB2 ASP A 38 8.432 9.847 1.939 1.00 0.60 H new ATOM 0 HB3 ASP A 38 9.229 9.833 3.500 1.00 0.60 H new ATOM 528 N PRO A 39 11.369 7.156 2.834 1.00 0.41 N ATOM 529 CA PRO A 39 11.329 5.748 3.228 1.00 0.40 C ATOM 530 C PRO A 39 10.470 5.539 4.469 1.00 0.32 C ATOM 531 O PRO A 39 10.212 4.414 4.886 1.00 0.35 O ATOM 532 CB PRO A 39 12.792 5.421 3.533 1.00 0.57 C ATOM 533 CG PRO A 39 13.403 6.728 3.910 1.00 0.64 C ATOM 534 CD PRO A 39 12.682 7.774 3.102 1.00 0.57 C ATOM 0 HA PRO A 39 10.894 5.114 2.456 1.00 0.40 H new ATOM 0 HB2 PRO A 39 12.875 4.697 4.344 1.00 0.57 H new ATOM 0 HB3 PRO A 39 13.290 4.987 2.666 1.00 0.57 H new ATOM 0 HG2 PRO A 39 13.293 6.916 4.978 1.00 0.64 H new ATOM 0 HG3 PRO A 39 14.471 6.736 3.693 1.00 0.64 H new ATOM 0 HD2 PRO A 39 12.581 8.709 3.654 1.00 0.57 H new ATOM 0 HD3 PRO A 39 13.213 8.005 2.179 1.00 0.57 H new ATOM 542 N THR A 40 9.999 6.641 5.026 1.00 0.30 N ATOM 543 CA THR A 40 9.268 6.621 6.282 1.00 0.31 C ATOM 544 C THR A 40 7.776 6.412 6.054 1.00 0.28 C ATOM 545 O THR A 40 6.958 6.627 6.949 1.00 0.48 O ATOM 546 CB THR A 40 9.494 7.932 7.055 1.00 0.42 C ATOM 547 OG1 THR A 40 9.259 9.055 6.188 1.00 0.51 O ATOM 548 CG2 THR A 40 10.911 8.000 7.604 1.00 0.49 C ATOM 0 H THR A 40 10.111 7.571 4.623 1.00 0.30 H new ATOM 0 HA THR A 40 9.646 5.784 6.869 1.00 0.31 H new ATOM 0 HB THR A 40 8.796 7.962 7.892 1.00 0.42 H new ATOM 0 HG1 THR A 40 9.402 9.887 6.685 1.00 0.51 H new ATOM 0 HG21 THR A 40 11.047 8.936 8.146 1.00 0.49 H new ATOM 0 HG22 THR A 40 11.080 7.161 8.279 1.00 0.49 H new ATOM 0 HG23 THR A 40 11.623 7.952 6.780 1.00 0.49 H new ATOM 556 N VAL A 41 7.425 6.003 4.847 1.00 0.20 N ATOM 557 CA VAL A 41 6.038 5.749 4.506 1.00 0.17 C ATOM 558 C VAL A 41 5.759 4.254 4.494 1.00 0.14 C ATOM 559 O VAL A 41 6.674 3.436 4.367 1.00 0.15 O ATOM 560 CB VAL A 41 5.664 6.350 3.133 1.00 0.20 C ATOM 561 CG1 VAL A 41 5.963 7.838 3.105 1.00 0.24 C ATOM 562 CG2 VAL A 41 6.385 5.634 2.000 1.00 0.23 C ATOM 0 H VAL A 41 8.084 5.840 4.086 1.00 0.20 H new ATOM 0 HA VAL A 41 5.427 6.232 5.268 1.00 0.17 H new ATOM 0 HB VAL A 41 4.593 6.208 2.985 1.00 0.20 H new ATOM 0 HG11 VAL A 41 5.693 8.245 2.130 1.00 0.24 H new ATOM 0 HG12 VAL A 41 5.384 8.340 3.880 1.00 0.24 H new ATOM 0 HG13 VAL A 41 7.026 7.999 3.284 1.00 0.24 H new ATOM 0 HG21 VAL A 41 6.100 6.081 1.048 1.00 0.23 H new ATOM 0 HG22 VAL A 41 7.462 5.728 2.137 1.00 0.23 H new ATOM 0 HG23 VAL A 41 6.110 4.579 2.003 1.00 0.23 H new ATOM 572 N LEU A 42 4.496 3.905 4.640 1.00 0.14 N ATOM 573 CA LEU A 42 4.079 2.518 4.589 1.00 0.14 C ATOM 574 C LEU A 42 3.832 2.105 3.153 1.00 0.12 C ATOM 575 O LEU A 42 2.989 2.690 2.467 1.00 0.15 O ATOM 576 CB LEU A 42 2.810 2.301 5.419 1.00 0.16 C ATOM 577 CG LEU A 42 2.983 2.461 6.931 1.00 0.17 C ATOM 578 CD1 LEU A 42 1.644 2.332 7.637 1.00 0.20 C ATOM 579 CD2 LEU A 42 3.965 1.431 7.464 1.00 0.22 C ATOM 0 H LEU A 42 3.737 4.568 4.796 1.00 0.14 H new ATOM 0 HA LEU A 42 4.876 1.904 5.009 1.00 0.14 H new ATOM 0 HB2 LEU A 42 2.049 3.004 5.080 1.00 0.16 H new ATOM 0 HB3 LEU A 42 2.430 1.299 5.217 1.00 0.16 H new ATOM 0 HG LEU A 42 3.382 3.456 7.129 1.00 0.17 H new ATOM 0 HD11 LEU A 42 1.786 2.448 8.711 1.00 0.20 H new ATOM 0 HD12 LEU A 42 0.966 3.105 7.275 1.00 0.20 H new ATOM 0 HD13 LEU A 42 1.218 1.350 7.432 1.00 0.20 H new ATOM 0 HD21 LEU A 42 4.077 1.558 8.541 1.00 0.22 H new ATOM 0 HD22 LEU A 42 3.591 0.429 7.254 1.00 0.22 H new ATOM 0 HD23 LEU A 42 4.932 1.566 6.980 1.00 0.22 H new ATOM 591 N ILE A 43 4.577 1.116 2.697 1.00 0.11 N ATOM 592 CA ILE A 43 4.377 0.583 1.368 1.00 0.10 C ATOM 593 C ILE A 43 3.629 -0.734 1.443 1.00 0.11 C ATOM 594 O ILE A 43 3.933 -1.595 2.271 1.00 0.15 O ATOM 595 CB ILE A 43 5.691 0.400 0.577 1.00 0.11 C ATOM 596 CG1 ILE A 43 6.765 -0.291 1.418 1.00 0.11 C ATOM 597 CG2 ILE A 43 6.191 1.745 0.071 1.00 0.13 C ATOM 598 CD1 ILE A 43 7.987 -0.684 0.616 1.00 0.14 C ATOM 0 H ILE A 43 5.324 0.668 3.228 1.00 0.11 H new ATOM 0 HA ILE A 43 3.786 1.320 0.824 1.00 0.10 H new ATOM 0 HB ILE A 43 5.480 -0.244 -0.277 1.00 0.11 H new ATOM 0 HG12 ILE A 43 7.067 0.374 2.227 1.00 0.11 H new ATOM 0 HG13 ILE A 43 6.339 -1.182 1.880 1.00 0.11 H new ATOM 0 HG21 ILE A 43 7.118 1.603 -0.485 1.00 0.13 H new ATOM 0 HG22 ILE A 43 5.440 2.190 -0.582 1.00 0.13 H new ATOM 0 HG23 ILE A 43 6.374 2.407 0.917 1.00 0.13 H new ATOM 0 HD11 ILE A 43 8.711 -1.169 1.270 1.00 0.14 H new ATOM 0 HD12 ILE A 43 7.696 -1.373 -0.177 1.00 0.14 H new ATOM 0 HD13 ILE A 43 8.435 0.207 0.176 1.00 0.14 H new ATOM 610 N GLY A 44 2.637 -0.872 0.593 1.00 0.13 N ATOM 611 CA GLY A 44 1.800 -2.042 0.630 1.00 0.16 C ATOM 612 C GLY A 44 2.083 -3.002 -0.495 1.00 0.17 C ATOM 613 O GLY A 44 1.646 -2.792 -1.622 1.00 0.31 O ATOM 0 H GLY A 44 2.394 -0.192 -0.127 1.00 0.13 H new ATOM 0 HA2 GLY A 44 1.942 -2.554 1.582 1.00 0.16 H new ATOM 0 HA3 GLY A 44 0.755 -1.736 0.585 1.00 0.16 H new ATOM 617 N ASP A 45 2.809 -4.057 -0.192 1.00 0.18 N ATOM 618 CA ASP A 45 3.073 -5.096 -1.172 1.00 0.20 C ATOM 619 C ASP A 45 1.879 -6.027 -1.230 1.00 0.20 C ATOM 620 O ASP A 45 1.389 -6.483 -0.198 1.00 0.29 O ATOM 621 CB ASP A 45 4.336 -5.885 -0.823 1.00 0.32 C ATOM 622 CG ASP A 45 4.670 -6.927 -1.873 1.00 0.30 C ATOM 623 OD1 ASP A 45 4.937 -6.547 -3.033 1.00 0.42 O ATOM 624 OD2 ASP A 45 4.676 -8.129 -1.545 1.00 0.57 O ATOM 0 H ASP A 45 3.228 -4.220 0.724 1.00 0.18 H new ATOM 0 HA ASP A 45 3.235 -4.630 -2.144 1.00 0.20 H new ATOM 0 HB2 ASP A 45 5.175 -5.197 -0.717 1.00 0.32 H new ATOM 0 HB3 ASP A 45 4.202 -6.374 0.142 1.00 0.32 H new ATOM 629 N GLY A 46 1.384 -6.283 -2.422 1.00 0.18 N ATOM 630 CA GLY A 46 0.196 -7.090 -2.546 1.00 0.21 C ATOM 631 C GLY A 46 -1.057 -6.266 -2.345 1.00 0.18 C ATOM 632 O GLY A 46 -2.029 -6.733 -1.764 1.00 0.18 O ATOM 0 H GLY A 46 1.779 -5.950 -3.302 1.00 0.18 H new ATOM 0 HA2 GLY A 46 0.172 -7.556 -3.531 1.00 0.21 H new ATOM 0 HA3 GLY A 46 0.224 -7.896 -1.813 1.00 0.21 H new ATOM 636 N CYS A 47 -1.028 -5.030 -2.809 1.00 0.17 N ATOM 637 CA CYS A 47 -2.124 -4.109 -2.568 1.00 0.15 C ATOM 638 C CYS A 47 -2.964 -3.927 -3.815 1.00 0.19 C ATOM 639 O CYS A 47 -2.519 -3.342 -4.805 1.00 0.25 O ATOM 640 CB CYS A 47 -1.590 -2.760 -2.108 1.00 0.15 C ATOM 641 SG CYS A 47 -2.563 -1.994 -0.777 1.00 0.12 S ATOM 0 H CYS A 47 -0.259 -4.641 -3.354 1.00 0.17 H new ATOM 0 HA CYS A 47 -2.752 -4.533 -1.785 1.00 0.15 H new ATOM 0 HB2 CYS A 47 -0.562 -2.885 -1.767 1.00 0.15 H new ATOM 0 HB3 CYS A 47 -1.563 -2.082 -2.961 1.00 0.15 H new ATOM 646 N ASP A 48 -4.166 -4.454 -3.767 1.00 0.19 N ATOM 647 CA ASP A 48 -5.122 -4.271 -4.843 1.00 0.24 C ATOM 648 C ASP A 48 -6.150 -3.215 -4.468 1.00 0.21 C ATOM 649 O ASP A 48 -6.651 -3.188 -3.343 1.00 0.19 O ATOM 650 CB ASP A 48 -5.795 -5.595 -5.205 1.00 0.30 C ATOM 651 CG ASP A 48 -7.104 -5.433 -5.955 1.00 1.50 C ATOM 652 OD1 ASP A 48 -7.069 -5.245 -7.188 1.00 2.21 O ATOM 653 OD2 ASP A 48 -8.174 -5.531 -5.320 1.00 2.02 O ATOM 0 H ASP A 48 -4.510 -5.018 -2.989 1.00 0.19 H new ATOM 0 HA ASP A 48 -4.585 -3.921 -5.725 1.00 0.24 H new ATOM 0 HB2 ASP A 48 -5.110 -6.186 -5.813 1.00 0.30 H new ATOM 0 HB3 ASP A 48 -5.978 -6.160 -4.291 1.00 0.30 H new ATOM 658 N PRO A 49 -6.447 -2.323 -5.412 1.00 0.26 N ATOM 659 CA PRO A 49 -7.415 -1.244 -5.225 1.00 0.28 C ATOM 660 C PRO A 49 -8.813 -1.782 -4.949 1.00 0.31 C ATOM 661 O PRO A 49 -9.365 -2.529 -5.757 1.00 0.37 O ATOM 662 CB PRO A 49 -7.403 -0.487 -6.559 1.00 0.35 C ATOM 663 CG PRO A 49 -6.234 -0.999 -7.333 1.00 0.44 C ATOM 664 CD PRO A 49 -5.862 -2.334 -6.753 1.00 0.34 C ATOM 0 HA PRO A 49 -7.156 -0.618 -4.371 1.00 0.28 H new ATOM 0 HB2 PRO A 49 -8.331 -0.652 -7.106 1.00 0.35 H new ATOM 0 HB3 PRO A 49 -7.317 0.587 -6.394 1.00 0.35 H new ATOM 0 HG2 PRO A 49 -6.486 -1.096 -8.389 1.00 0.44 H new ATOM 0 HG3 PRO A 49 -5.396 -0.305 -7.267 1.00 0.44 H new ATOM 0 HD2 PRO A 49 -6.259 -3.153 -7.353 1.00 0.34 H new ATOM 0 HD3 PRO A 49 -4.780 -2.463 -6.714 1.00 0.34 H new ATOM 672 N ILE A 50 -9.389 -1.402 -3.815 1.00 0.30 N ATOM 673 CA ILE A 50 -10.707 -1.893 -3.452 1.00 0.36 C ATOM 674 C ILE A 50 -11.764 -1.116 -4.217 1.00 0.43 C ATOM 675 O ILE A 50 -12.272 -0.096 -3.752 1.00 0.46 O ATOM 676 CB ILE A 50 -10.988 -1.771 -1.941 1.00 0.36 C ATOM 677 CG1 ILE A 50 -9.808 -2.287 -1.122 1.00 0.29 C ATOM 678 CG2 ILE A 50 -12.238 -2.560 -1.582 1.00 0.44 C ATOM 679 CD1 ILE A 50 -9.988 -2.092 0.367 1.00 0.31 C ATOM 0 H ILE A 50 -8.968 -0.763 -3.140 1.00 0.30 H new ATOM 0 HA ILE A 50 -10.740 -2.952 -3.710 1.00 0.36 H new ATOM 0 HB ILE A 50 -11.139 -0.717 -1.707 1.00 0.36 H new ATOM 0 HG12 ILE A 50 -9.666 -3.348 -1.329 1.00 0.29 H new ATOM 0 HG13 ILE A 50 -8.900 -1.776 -1.442 1.00 0.29 H new ATOM 0 HG21 ILE A 50 -12.431 -2.470 -0.513 1.00 0.44 H new ATOM 0 HG22 ILE A 50 -13.089 -2.167 -2.139 1.00 0.44 H new ATOM 0 HG23 ILE A 50 -12.091 -3.610 -1.837 1.00 0.44 H new ATOM 0 HD11 ILE A 50 -9.115 -2.479 0.893 1.00 0.31 H new ATOM 0 HD12 ILE A 50 -10.100 -1.030 0.584 1.00 0.31 H new ATOM 0 HD13 ILE A 50 -10.878 -2.626 0.699 1.00 0.31 H new ATOM 691 N THR A 51 -12.080 -1.604 -5.398 1.00 0.54 N ATOM 692 CA THR A 51 -13.044 -0.944 -6.254 1.00 0.64 C ATOM 693 C THR A 51 -14.240 -1.856 -6.503 1.00 0.79 C ATOM 694 O THR A 51 -15.087 -1.592 -7.355 1.00 0.88 O ATOM 695 CB THR A 51 -12.395 -0.498 -7.587 1.00 0.66 C ATOM 696 OG1 THR A 51 -13.320 0.268 -8.370 1.00 0.78 O ATOM 697 CG2 THR A 51 -11.911 -1.693 -8.393 1.00 0.70 C ATOM 0 H THR A 51 -11.682 -2.458 -5.788 1.00 0.54 H new ATOM 0 HA THR A 51 -13.396 -0.046 -5.746 1.00 0.64 H new ATOM 0 HB THR A 51 -11.535 0.124 -7.339 1.00 0.66 H new ATOM 0 HG1 THR A 51 -13.091 1.219 -8.309 1.00 0.78 H new ATOM 0 HG21 THR A 51 -11.460 -1.346 -9.323 1.00 0.70 H new ATOM 0 HG22 THR A 51 -11.170 -2.246 -7.815 1.00 0.70 H new ATOM 0 HG23 THR A 51 -12.755 -2.345 -8.620 1.00 0.70 H new ATOM 705 N VAL A 52 -14.311 -2.927 -5.733 1.00 0.88 N ATOM 706 CA VAL A 52 -15.446 -3.822 -5.786 1.00 1.10 C ATOM 707 C VAL A 52 -16.405 -3.501 -4.649 1.00 1.38 C ATOM 708 O VAL A 52 -16.041 -3.541 -3.472 1.00 1.44 O ATOM 709 CB VAL A 52 -15.016 -5.305 -5.730 1.00 1.13 C ATOM 710 CG1 VAL A 52 -14.153 -5.587 -4.509 1.00 1.17 C ATOM 711 CG2 VAL A 52 -16.232 -6.216 -5.750 1.00 1.44 C ATOM 0 H VAL A 52 -13.591 -3.196 -5.062 1.00 0.88 H new ATOM 0 HA VAL A 52 -15.950 -3.671 -6.741 1.00 1.10 H new ATOM 0 HB VAL A 52 -14.415 -5.511 -6.616 1.00 1.13 H new ATOM 0 HG11 VAL A 52 -13.868 -6.639 -4.500 1.00 1.17 H new ATOM 0 HG12 VAL A 52 -13.256 -4.968 -4.546 1.00 1.17 H new ATOM 0 HG13 VAL A 52 -14.716 -5.356 -3.605 1.00 1.17 H new ATOM 0 HG21 VAL A 52 -15.908 -7.256 -5.710 1.00 1.44 H new ATOM 0 HG22 VAL A 52 -16.863 -5.999 -4.888 1.00 1.44 H new ATOM 0 HG23 VAL A 52 -16.798 -6.047 -6.666 1.00 1.44 H new ATOM 721 N ALA A 53 -17.624 -3.159 -5.007 1.00 1.71 N ATOM 722 CA ALA A 53 -18.613 -2.758 -4.026 1.00 2.11 C ATOM 723 C ALA A 53 -19.631 -3.865 -3.804 1.00 2.05 C ATOM 724 O ALA A 53 -19.801 -4.740 -4.654 1.00 2.54 O ATOM 725 CB ALA A 53 -19.300 -1.473 -4.464 1.00 2.94 C ATOM 0 H ALA A 53 -17.956 -3.150 -5.972 1.00 1.71 H new ATOM 0 HA ALA A 53 -18.105 -2.573 -3.079 1.00 2.11 H new ATOM 0 HB1 ALA A 53 -20.040 -1.184 -3.718 1.00 2.94 H new ATOM 0 HB2 ALA A 53 -18.559 -0.681 -4.566 1.00 2.94 H new ATOM 0 HB3 ALA A 53 -19.794 -1.633 -5.422 1.00 2.94 H new ATOM 731 N GLY A 54 -20.293 -3.830 -2.660 1.00 2.23 N ATOM 732 CA GLY A 54 -21.289 -4.831 -2.349 1.00 2.81 C ATOM 733 C GLY A 54 -21.149 -5.352 -0.937 1.00 2.91 C ATOM 734 O GLY A 54 -22.143 -5.666 -0.279 1.00 3.50 O ATOM 0 H GLY A 54 -20.157 -3.123 -1.938 1.00 2.23 H new ATOM 0 HA2 GLY A 54 -22.284 -4.405 -2.481 1.00 2.81 H new ATOM 0 HA3 GLY A 54 -21.201 -5.660 -3.051 1.00 2.81 H new ATOM 738 N SER A 55 -19.915 -5.438 -0.465 1.00 2.88 N ATOM 739 CA SER A 55 -19.642 -5.928 0.875 1.00 3.27 C ATOM 740 C SER A 55 -18.580 -5.072 1.557 1.00 2.84 C ATOM 741 O SER A 55 -17.727 -4.478 0.895 1.00 3.08 O ATOM 742 CB SER A 55 -19.193 -7.392 0.815 1.00 4.15 C ATOM 743 OG SER A 55 -18.155 -7.575 -0.134 1.00 4.90 O ATOM 0 H SER A 55 -19.084 -5.173 -0.994 1.00 2.88 H new ATOM 0 HA SER A 55 -20.558 -5.863 1.463 1.00 3.27 H new ATOM 0 HB2 SER A 55 -18.849 -7.709 1.799 1.00 4.15 H new ATOM 0 HB3 SER A 55 -20.042 -8.024 0.555 1.00 4.15 H new ATOM 0 HG SER A 55 -17.888 -8.518 -0.149 1.00 4.90 H new ATOM 749 N SER A 56 -18.654 -5.000 2.880 1.00 2.68 N ATOM 750 CA SER A 56 -17.693 -4.241 3.665 1.00 2.71 C ATOM 751 C SER A 56 -16.367 -4.992 3.734 1.00 2.12 C ATOM 752 O SER A 56 -15.294 -4.384 3.713 1.00 2.50 O ATOM 753 CB SER A 56 -18.247 -3.985 5.070 1.00 3.33 C ATOM 754 OG SER A 56 -17.378 -3.161 5.836 1.00 4.06 O ATOM 0 H SER A 56 -19.375 -5.462 3.434 1.00 2.68 H new ATOM 0 HA SER A 56 -17.519 -3.278 3.184 1.00 2.71 H new ATOM 0 HB2 SER A 56 -19.225 -3.511 4.994 1.00 3.33 H new ATOM 0 HB3 SER A 56 -18.392 -4.936 5.583 1.00 3.33 H new ATOM 0 HG SER A 56 -17.763 -3.017 6.726 1.00 4.06 H new ATOM 760 N ASP A 57 -16.445 -6.316 3.795 1.00 1.64 N ATOM 761 CA ASP A 57 -15.251 -7.151 3.792 1.00 1.50 C ATOM 762 C ASP A 57 -14.873 -7.495 2.355 1.00 1.07 C ATOM 763 O ASP A 57 -14.767 -8.661 1.972 1.00 1.44 O ATOM 764 CB ASP A 57 -15.456 -8.421 4.636 1.00 2.15 C ATOM 765 CG ASP A 57 -16.585 -9.308 4.143 1.00 2.62 C ATOM 766 OD1 ASP A 57 -17.763 -8.906 4.268 1.00 3.12 O ATOM 767 OD2 ASP A 57 -16.304 -10.422 3.650 1.00 3.13 O ATOM 0 H ASP A 57 -17.322 -6.834 3.847 1.00 1.64 H new ATOM 0 HA ASP A 57 -14.431 -6.595 4.247 1.00 1.50 H new ATOM 0 HB2 ASP A 57 -14.530 -8.996 4.641 1.00 2.15 H new ATOM 0 HB3 ASP A 57 -15.657 -8.132 5.668 1.00 2.15 H new ATOM 772 N ALA A 58 -14.666 -6.450 1.564 1.00 0.67 N ATOM 773 CA ALA A 58 -14.308 -6.592 0.155 1.00 0.66 C ATOM 774 C ALA A 58 -12.891 -7.128 -0.008 1.00 0.60 C ATOM 775 O ALA A 58 -12.444 -7.414 -1.119 1.00 0.83 O ATOM 776 CB ALA A 58 -14.454 -5.257 -0.557 1.00 0.99 C ATOM 0 H ALA A 58 -14.741 -5.482 1.878 1.00 0.67 H new ATOM 0 HA ALA A 58 -14.989 -7.314 -0.295 1.00 0.66 H new ATOM 0 HB1 ALA A 58 -14.185 -5.373 -1.607 1.00 0.99 H new ATOM 0 HB2 ALA A 58 -15.487 -4.916 -0.483 1.00 0.99 H new ATOM 0 HB3 ALA A 58 -13.795 -4.523 -0.093 1.00 0.99 H new ATOM 782 N CYS A 59 -12.193 -7.243 1.108 1.00 0.45 N ATOM 783 CA CYS A 59 -10.861 -7.821 1.143 1.00 0.54 C ATOM 784 C CYS A 59 -10.523 -8.215 2.574 1.00 0.55 C ATOM 785 O CYS A 59 -10.906 -7.522 3.521 1.00 0.74 O ATOM 786 CB CYS A 59 -9.823 -6.850 0.588 1.00 0.73 C ATOM 787 SG CYS A 59 -8.122 -7.496 0.633 1.00 0.74 S ATOM 0 H CYS A 59 -12.535 -6.937 2.019 1.00 0.45 H new ATOM 0 HA CYS A 59 -10.844 -8.709 0.511 1.00 0.54 H new ATOM 0 HB2 CYS A 59 -10.082 -6.604 -0.442 1.00 0.73 H new ATOM 0 HB3 CYS A 59 -9.865 -5.922 1.158 1.00 0.73 H new ATOM 792 N SER A 60 -9.817 -9.326 2.733 1.00 0.64 N ATOM 793 CA SER A 60 -9.586 -9.894 4.050 1.00 0.86 C ATOM 794 C SER A 60 -8.141 -9.705 4.515 1.00 0.71 C ATOM 795 O SER A 60 -7.802 -10.071 5.642 1.00 1.05 O ATOM 796 CB SER A 60 -9.949 -11.382 4.037 1.00 1.24 C ATOM 797 OG SER A 60 -9.910 -11.935 5.343 1.00 2.14 O ATOM 0 H SER A 60 -9.396 -9.850 1.966 1.00 0.64 H new ATOM 0 HA SER A 60 -10.222 -9.364 4.759 1.00 0.86 H new ATOM 0 HB2 SER A 60 -10.946 -11.511 3.615 1.00 1.24 H new ATOM 0 HB3 SER A 60 -9.257 -11.922 3.391 1.00 1.24 H new ATOM 0 HG SER A 60 -9.212 -11.489 5.867 1.00 2.14 H new ATOM 803 N ALA A 61 -7.288 -9.140 3.664 1.00 0.38 N ATOM 804 CA ALA A 61 -5.890 -8.941 4.035 1.00 0.32 C ATOM 805 C ALA A 61 -5.730 -7.735 4.962 1.00 0.32 C ATOM 806 O ALA A 61 -5.782 -7.875 6.185 1.00 0.54 O ATOM 807 CB ALA A 61 -5.000 -8.812 2.803 1.00 0.38 C ATOM 0 H ALA A 61 -7.534 -8.817 2.728 1.00 0.38 H new ATOM 0 HA ALA A 61 -5.566 -9.826 4.583 1.00 0.32 H new ATOM 0 HB1 ALA A 61 -3.966 -8.665 3.115 1.00 0.38 H new ATOM 0 HB2 ALA A 61 -5.073 -9.720 2.205 1.00 0.38 H new ATOM 0 HB3 ALA A 61 -5.324 -7.959 2.208 1.00 0.38 H new ATOM 813 N THR A 62 -5.536 -6.553 4.391 1.00 0.22 N ATOM 814 CA THR A 62 -5.403 -5.338 5.184 1.00 0.19 C ATOM 815 C THR A 62 -5.893 -4.128 4.395 1.00 0.18 C ATOM 816 O THR A 62 -5.436 -3.878 3.284 1.00 0.20 O ATOM 817 CB THR A 62 -3.935 -5.113 5.610 1.00 0.22 C ATOM 818 OG1 THR A 62 -3.422 -6.295 6.243 1.00 0.29 O ATOM 819 CG2 THR A 62 -3.815 -3.934 6.564 1.00 0.24 C ATOM 0 H THR A 62 -5.467 -6.410 3.383 1.00 0.22 H new ATOM 0 HA THR A 62 -6.015 -5.457 6.078 1.00 0.19 H new ATOM 0 HB THR A 62 -3.354 -4.894 4.714 1.00 0.22 H new ATOM 0 HG1 THR A 62 -2.491 -6.146 6.509 1.00 0.29 H new ATOM 0 HG21 THR A 62 -2.771 -3.800 6.847 1.00 0.24 H new ATOM 0 HG22 THR A 62 -4.177 -3.031 6.073 1.00 0.24 H new ATOM 0 HG23 THR A 62 -4.411 -4.126 7.456 1.00 0.24 H new ATOM 827 N ALA A 63 -6.817 -3.375 4.967 1.00 0.19 N ATOM 828 CA ALA A 63 -7.356 -2.202 4.299 1.00 0.20 C ATOM 829 C ALA A 63 -6.472 -0.998 4.567 1.00 0.17 C ATOM 830 O ALA A 63 -6.085 -0.736 5.706 1.00 0.19 O ATOM 831 CB ALA A 63 -8.780 -1.930 4.757 1.00 0.25 C ATOM 0 H ALA A 63 -7.209 -3.554 5.891 1.00 0.19 H new ATOM 0 HA ALA A 63 -7.375 -2.391 3.226 1.00 0.20 H new ATOM 0 HB1 ALA A 63 -9.165 -1.048 4.245 1.00 0.25 H new ATOM 0 HB2 ALA A 63 -9.408 -2.789 4.522 1.00 0.25 H new ATOM 0 HB3 ALA A 63 -8.789 -1.758 5.833 1.00 0.25 H new ATOM 837 N VAL A 64 -6.142 -0.272 3.514 1.00 0.14 N ATOM 838 CA VAL A 64 -5.262 0.877 3.623 1.00 0.13 C ATOM 839 C VAL A 64 -5.693 1.992 2.684 1.00 0.14 C ATOM 840 O VAL A 64 -6.580 1.816 1.847 1.00 0.21 O ATOM 841 CB VAL A 64 -3.803 0.503 3.304 1.00 0.15 C ATOM 842 CG1 VAL A 64 -3.150 -0.218 4.474 1.00 0.14 C ATOM 843 CG2 VAL A 64 -3.753 -0.354 2.057 1.00 0.19 C ATOM 0 H VAL A 64 -6.473 -0.460 2.568 1.00 0.14 H new ATOM 0 HA VAL A 64 -5.328 1.222 4.655 1.00 0.13 H new ATOM 0 HB VAL A 64 -3.243 1.422 3.128 1.00 0.15 H new ATOM 0 HG11 VAL A 64 -2.121 -0.469 4.218 1.00 0.14 H new ATOM 0 HG12 VAL A 64 -3.158 0.429 5.351 1.00 0.14 H new ATOM 0 HG13 VAL A 64 -3.703 -1.132 4.692 1.00 0.14 H new ATOM 0 HG21 VAL A 64 -2.718 -0.615 1.836 1.00 0.19 H new ATOM 0 HG22 VAL A 64 -4.331 -1.264 2.218 1.00 0.19 H new ATOM 0 HG23 VAL A 64 -4.174 0.200 1.218 1.00 0.19 H new ATOM 853 N CYS A 65 -5.051 3.132 2.834 1.00 0.17 N ATOM 854 CA CYS A 65 -5.331 4.293 2.015 1.00 0.17 C ATOM 855 C CYS A 65 -4.020 4.961 1.624 1.00 0.13 C ATOM 856 O CYS A 65 -3.374 5.601 2.455 1.00 0.14 O ATOM 857 CB CYS A 65 -6.210 5.274 2.792 1.00 0.23 C ATOM 858 SG CYS A 65 -6.679 6.765 1.860 1.00 0.39 S ATOM 0 H CYS A 65 -4.319 3.280 3.529 1.00 0.17 H new ATOM 0 HA CYS A 65 -5.861 3.986 1.113 1.00 0.17 H new ATOM 0 HB2 CYS A 65 -7.117 4.758 3.109 1.00 0.23 H new ATOM 0 HB3 CYS A 65 -5.683 5.577 3.697 1.00 0.23 H new ATOM 863 N CYS A 66 -3.609 4.781 0.380 1.00 0.12 N ATOM 864 CA CYS A 66 -2.359 5.356 -0.091 1.00 0.13 C ATOM 865 C CYS A 66 -2.561 6.750 -0.650 1.00 0.16 C ATOM 866 O CYS A 66 -3.469 7.001 -1.442 1.00 0.23 O ATOM 867 CB CYS A 66 -1.711 4.460 -1.142 1.00 0.19 C ATOM 868 SG CYS A 66 -0.499 3.284 -0.465 1.00 0.65 S ATOM 0 H CYS A 66 -4.120 4.243 -0.320 1.00 0.12 H new ATOM 0 HA CYS A 66 -1.693 5.430 0.769 1.00 0.13 H new ATOM 0 HB2 CYS A 66 -2.491 3.903 -1.661 1.00 0.19 H new ATOM 0 HB3 CYS A 66 -1.218 5.087 -1.885 1.00 0.19 H new ATOM 873 N SER A 67 -1.701 7.655 -0.216 1.00 0.24 N ATOM 874 CA SER A 67 -1.726 9.027 -0.685 1.00 0.29 C ATOM 875 C SER A 67 -1.128 9.108 -2.082 1.00 0.32 C ATOM 876 O SER A 67 -1.430 10.019 -2.852 1.00 0.41 O ATOM 877 CB SER A 67 -0.959 9.927 0.285 1.00 0.35 C ATOM 878 OG SER A 67 -1.032 11.291 -0.102 1.00 1.15 O ATOM 0 H SER A 67 -0.970 7.460 0.468 1.00 0.24 H new ATOM 0 HA SER A 67 -2.759 9.372 -0.730 1.00 0.29 H new ATOM 0 HB2 SER A 67 -1.365 9.811 1.290 1.00 0.35 H new ATOM 0 HB3 SER A 67 0.084 9.614 0.325 1.00 0.35 H new ATOM 0 HG SER A 67 -0.533 11.840 0.539 1.00 1.15 H new ATOM 884 N ASP A 68 -0.276 8.148 -2.396 1.00 0.30 N ATOM 885 CA ASP A 68 0.322 8.058 -3.717 1.00 0.37 C ATOM 886 C ASP A 68 -0.218 6.853 -4.463 1.00 0.44 C ATOM 887 O ASP A 68 -0.300 5.755 -3.915 1.00 0.57 O ATOM 888 CB ASP A 68 1.850 7.983 -3.637 1.00 0.43 C ATOM 889 CG ASP A 68 2.493 9.352 -3.557 1.00 1.03 C ATOM 890 OD1 ASP A 68 2.751 9.950 -4.622 1.00 1.60 O ATOM 891 OD2 ASP A 68 2.735 9.841 -2.434 1.00 1.52 O ATOM 0 H ASP A 68 0.019 7.416 -1.750 1.00 0.30 H new ATOM 0 HA ASP A 68 0.056 8.964 -4.261 1.00 0.37 H new ATOM 0 HB2 ASP A 68 2.137 7.398 -2.763 1.00 0.43 H new ATOM 0 HB3 ASP A 68 2.231 7.456 -4.512 1.00 0.43 H new ATOM 896 N ASN A 69 -0.585 7.063 -5.715 1.00 0.53 N ATOM 897 CA ASN A 69 -1.106 5.990 -6.550 1.00 0.63 C ATOM 898 C ASN A 69 -0.012 5.474 -7.477 1.00 0.59 C ATOM 899 O ASN A 69 -0.281 4.815 -8.482 1.00 0.64 O ATOM 900 CB ASN A 69 -2.319 6.476 -7.356 1.00 0.84 C ATOM 901 CG ASN A 69 -1.988 7.636 -8.276 1.00 1.67 C ATOM 902 OD1 ASN A 69 -2.024 8.797 -7.867 1.00 2.35 O ATOM 903 ND2 ASN A 69 -1.682 7.333 -9.525 1.00 2.49 N ATOM 0 H ASN A 69 -0.532 7.970 -6.179 1.00 0.53 H new ATOM 0 HA ASN A 69 -1.433 5.171 -5.909 1.00 0.63 H new ATOM 0 HB2 ASN A 69 -2.711 5.649 -7.948 1.00 0.84 H new ATOM 0 HB3 ASN A 69 -3.109 6.778 -6.668 1.00 0.84 H new ATOM 0 HD21 ASN A 69 -1.464 8.074 -10.191 1.00 2.49 H new ATOM 0 HD22 ASN A 69 -1.663 6.358 -9.823 1.00 2.49 H new ATOM 910 N ASN A 70 1.227 5.783 -7.124 1.00 0.59 N ATOM 911 CA ASN A 70 2.382 5.329 -7.883 1.00 0.64 C ATOM 912 C ASN A 70 2.675 3.868 -7.557 1.00 0.55 C ATOM 913 O ASN A 70 3.333 3.558 -6.565 1.00 0.86 O ATOM 914 CB ASN A 70 3.598 6.201 -7.562 1.00 0.83 C ATOM 915 CG ASN A 70 4.815 5.839 -8.391 1.00 1.50 C ATOM 916 OD1 ASN A 70 5.621 4.994 -8.002 1.00 2.24 O ATOM 917 ND2 ASN A 70 4.968 6.485 -9.536 1.00 2.27 N ATOM 0 H ASN A 70 1.459 6.351 -6.309 1.00 0.59 H new ATOM 0 HA ASN A 70 2.165 5.415 -8.948 1.00 0.64 H new ATOM 0 HB2 ASN A 70 3.345 7.247 -7.734 1.00 0.83 H new ATOM 0 HB3 ASN A 70 3.842 6.102 -6.504 1.00 0.83 H new ATOM 0 HD21 ASN A 70 5.775 6.289 -10.128 1.00 2.27 H new ATOM 0 HD22 ASN A 70 4.279 7.179 -9.826 1.00 2.27 H new ATOM 924 N VAL A 71 2.152 2.971 -8.377 1.00 0.41 N ATOM 925 CA VAL A 71 2.299 1.551 -8.142 1.00 0.38 C ATOM 926 C VAL A 71 3.289 0.917 -9.114 1.00 0.33 C ATOM 927 O VAL A 71 3.330 1.265 -10.293 1.00 0.38 O ATOM 928 CB VAL A 71 0.937 0.839 -8.253 1.00 0.52 C ATOM 929 CG1 VAL A 71 -0.002 1.314 -7.158 1.00 1.10 C ATOM 930 CG2 VAL A 71 0.308 1.062 -9.622 1.00 1.03 C ATOM 0 H VAL A 71 1.620 3.207 -9.215 1.00 0.41 H new ATOM 0 HA VAL A 71 2.689 1.431 -7.131 1.00 0.38 H new ATOM 0 HB VAL A 71 1.108 -0.230 -8.130 1.00 0.52 H new ATOM 0 HG11 VAL A 71 -0.959 0.801 -7.252 1.00 1.10 H new ATOM 0 HG12 VAL A 71 0.434 1.094 -6.184 1.00 1.10 H new ATOM 0 HG13 VAL A 71 -0.156 2.389 -7.252 1.00 1.10 H new ATOM 0 HG21 VAL A 71 -0.652 0.547 -9.670 1.00 1.03 H new ATOM 0 HG22 VAL A 71 0.156 2.129 -9.783 1.00 1.03 H new ATOM 0 HG23 VAL A 71 0.969 0.669 -10.394 1.00 1.03 H new ATOM 940 N SER A 72 4.090 -0.011 -8.607 1.00 0.32 N ATOM 941 CA SER A 72 5.040 -0.746 -9.432 1.00 0.37 C ATOM 942 C SER A 72 4.418 -2.041 -9.956 1.00 0.42 C ATOM 943 O SER A 72 5.110 -2.902 -10.496 1.00 0.55 O ATOM 944 CB SER A 72 6.304 -1.048 -8.640 1.00 0.45 C ATOM 945 OG SER A 72 6.850 0.136 -8.082 1.00 1.41 O ATOM 0 H SER A 72 4.100 -0.274 -7.622 1.00 0.32 H new ATOM 0 HA SER A 72 5.302 -0.124 -10.288 1.00 0.37 H new ATOM 0 HB2 SER A 72 6.078 -1.758 -7.845 1.00 0.45 H new ATOM 0 HB3 SER A 72 7.040 -1.521 -9.290 1.00 0.45 H new ATOM 0 HG SER A 72 7.759 0.270 -8.424 1.00 1.41 H new ATOM 951 N GLY A 73 3.110 -2.176 -9.771 1.00 0.39 N ATOM 952 CA GLY A 73 2.387 -3.309 -10.319 1.00 0.48 C ATOM 953 C GLY A 73 1.559 -4.054 -9.295 1.00 0.41 C ATOM 954 O GLY A 73 0.476 -4.535 -9.621 1.00 0.48 O ATOM 0 H GLY A 73 2.534 -1.517 -9.248 1.00 0.39 H new ATOM 0 HA2 GLY A 73 1.733 -2.960 -11.118 1.00 0.48 H new ATOM 0 HA3 GLY A 73 3.099 -4.000 -10.770 1.00 0.48 H new ATOM 958 N VAL A 74 2.031 -4.142 -8.058 1.00 0.31 N ATOM 959 CA VAL A 74 1.241 -4.781 -7.008 1.00 0.28 C ATOM 960 C VAL A 74 1.362 -4.041 -5.684 1.00 0.22 C ATOM 961 O VAL A 74 0.737 -4.412 -4.696 1.00 0.34 O ATOM 962 CB VAL A 74 1.646 -6.254 -6.782 1.00 0.37 C ATOM 963 CG1 VAL A 74 1.628 -7.036 -8.088 1.00 0.49 C ATOM 964 CG2 VAL A 74 3.002 -6.351 -6.106 1.00 0.38 C ATOM 0 H VAL A 74 2.939 -3.787 -7.758 1.00 0.31 H new ATOM 0 HA VAL A 74 0.209 -4.746 -7.356 1.00 0.28 H new ATOM 0 HB VAL A 74 0.909 -6.702 -6.116 1.00 0.37 H new ATOM 0 HG11 VAL A 74 1.917 -8.069 -7.897 1.00 0.49 H new ATOM 0 HG12 VAL A 74 0.624 -7.013 -8.512 1.00 0.49 H new ATOM 0 HG13 VAL A 74 2.329 -6.587 -8.791 1.00 0.49 H new ATOM 0 HG21 VAL A 74 3.261 -7.400 -5.959 1.00 0.38 H new ATOM 0 HG22 VAL A 74 3.756 -5.875 -6.733 1.00 0.38 H new ATOM 0 HG23 VAL A 74 2.964 -5.848 -5.140 1.00 0.38 H new ATOM 974 N ILE A 75 2.173 -3.004 -5.661 1.00 0.18 N ATOM 975 CA ILE A 75 2.444 -2.292 -4.421 1.00 0.17 C ATOM 976 C ILE A 75 1.562 -1.070 -4.254 1.00 0.16 C ATOM 977 O ILE A 75 0.695 -0.788 -5.078 1.00 0.20 O ATOM 978 CB ILE A 75 3.903 -1.825 -4.333 1.00 0.19 C ATOM 979 CG1 ILE A 75 4.231 -0.907 -5.504 1.00 0.20 C ATOM 980 CG2 ILE A 75 4.831 -3.014 -4.317 1.00 0.24 C ATOM 981 CD1 ILE A 75 5.170 0.220 -5.144 1.00 0.30 C ATOM 0 H ILE A 75 2.656 -2.634 -6.480 1.00 0.18 H new ATOM 0 HA ILE A 75 2.232 -3.010 -3.629 1.00 0.17 H new ATOM 0 HB ILE A 75 4.040 -1.268 -3.406 1.00 0.19 H new ATOM 0 HG12 ILE A 75 4.676 -1.498 -6.305 1.00 0.20 H new ATOM 0 HG13 ILE A 75 3.305 -0.486 -5.895 1.00 0.20 H new ATOM 0 HG21 ILE A 75 5.863 -2.669 -4.254 1.00 0.24 H new ATOM 0 HG22 ILE A 75 4.605 -3.641 -3.454 1.00 0.24 H new ATOM 0 HG23 ILE A 75 4.697 -3.593 -5.231 1.00 0.24 H new ATOM 0 HD11 ILE A 75 5.359 0.832 -6.026 1.00 0.30 H new ATOM 0 HD12 ILE A 75 4.719 0.835 -4.365 1.00 0.30 H new ATOM 0 HD13 ILE A 75 6.111 -0.193 -4.781 1.00 0.30 H new ATOM 993 N ALA A 76 1.808 -0.365 -3.164 1.00 0.15 N ATOM 994 CA ALA A 76 1.156 0.895 -2.866 1.00 0.16 C ATOM 995 C ALA A 76 2.106 1.756 -2.034 1.00 0.14 C ATOM 996 O ALA A 76 2.809 1.233 -1.171 1.00 0.15 O ATOM 997 CB ALA A 76 -0.143 0.637 -2.123 1.00 0.18 C ATOM 0 H ALA A 76 2.477 -0.657 -2.451 1.00 0.15 H new ATOM 0 HA ALA A 76 0.916 1.425 -3.788 1.00 0.16 H new ATOM 0 HB1 ALA A 76 -0.630 1.587 -1.901 1.00 0.18 H new ATOM 0 HB2 ALA A 76 -0.801 0.028 -2.742 1.00 0.18 H new ATOM 0 HB3 ALA A 76 0.069 0.111 -1.192 1.00 0.18 H new ATOM 1003 N ILE A 77 2.151 3.058 -2.296 1.00 0.15 N ATOM 1004 CA ILE A 77 3.098 3.932 -1.607 1.00 0.16 C ATOM 1005 C ILE A 77 2.383 4.988 -0.768 1.00 0.16 C ATOM 1006 O ILE A 77 1.531 5.724 -1.267 1.00 0.21 O ATOM 1007 CB ILE A 77 4.051 4.632 -2.603 1.00 0.19 C ATOM 1008 CG1 ILE A 77 4.831 3.592 -3.413 1.00 0.21 C ATOM 1009 CG2 ILE A 77 5.008 5.563 -1.868 1.00 0.24 C ATOM 1010 CD1 ILE A 77 5.763 4.195 -4.442 1.00 0.26 C ATOM 0 H ILE A 77 1.550 3.529 -2.973 1.00 0.15 H new ATOM 0 HA ILE A 77 3.683 3.293 -0.945 1.00 0.16 H new ATOM 0 HB ILE A 77 3.453 5.231 -3.290 1.00 0.19 H new ATOM 0 HG12 ILE A 77 5.411 2.973 -2.729 1.00 0.21 H new ATOM 0 HG13 ILE A 77 4.124 2.933 -3.918 1.00 0.21 H new ATOM 0 HG21 ILE A 77 5.670 6.046 -2.587 1.00 0.24 H new ATOM 0 HG22 ILE A 77 4.438 6.322 -1.333 1.00 0.24 H new ATOM 0 HG23 ILE A 77 5.602 4.988 -1.158 1.00 0.24 H new ATOM 0 HD11 ILE A 77 6.280 3.398 -4.976 1.00 0.26 H new ATOM 0 HD12 ILE A 77 5.187 4.791 -5.150 1.00 0.26 H new ATOM 0 HD13 ILE A 77 6.494 4.831 -3.943 1.00 0.26 H new ATOM 1022 N GLY A 78 2.737 5.048 0.512 1.00 0.16 N ATOM 1023 CA GLY A 78 2.164 6.041 1.398 1.00 0.17 C ATOM 1024 C GLY A 78 0.784 5.648 1.863 1.00 0.15 C ATOM 1025 O GLY A 78 -0.163 6.426 1.749 1.00 0.17 O ATOM 0 H GLY A 78 3.413 4.423 0.951 1.00 0.16 H new ATOM 0 HA2 GLY A 78 2.814 6.175 2.262 1.00 0.17 H new ATOM 0 HA3 GLY A 78 2.115 7.001 0.884 1.00 0.17 H new ATOM 1029 N CYS A 79 0.670 4.440 2.387 1.00 0.13 N ATOM 1030 CA CYS A 79 -0.611 3.905 2.805 1.00 0.13 C ATOM 1031 C CYS A 79 -0.834 4.055 4.296 1.00 0.13 C ATOM 1032 O CYS A 79 0.039 3.753 5.108 1.00 0.18 O ATOM 1033 CB CYS A 79 -0.713 2.433 2.420 1.00 0.15 C ATOM 1034 SG CYS A 79 -1.554 2.142 0.833 1.00 0.65 S ATOM 0 H CYS A 79 1.457 3.808 2.533 1.00 0.13 H new ATOM 0 HA CYS A 79 -1.384 4.479 2.293 1.00 0.13 H new ATOM 0 HB2 CYS A 79 0.290 2.010 2.371 1.00 0.15 H new ATOM 0 HB3 CYS A 79 -1.246 1.898 3.206 1.00 0.15 H new ATOM 1039 N LEU A 80 -2.008 4.547 4.647 1.00 0.14 N ATOM 1040 CA LEU A 80 -2.433 4.588 6.030 1.00 0.15 C ATOM 1041 C LEU A 80 -3.417 3.460 6.293 1.00 0.15 C ATOM 1042 O LEU A 80 -4.368 3.274 5.536 1.00 0.15 O ATOM 1043 CB LEU A 80 -3.078 5.926 6.365 1.00 0.19 C ATOM 1044 CG LEU A 80 -2.168 7.143 6.196 1.00 0.23 C ATOM 1045 CD1 LEU A 80 -2.953 8.429 6.397 1.00 0.29 C ATOM 1046 CD2 LEU A 80 -1.006 7.067 7.176 1.00 0.26 C ATOM 0 H LEU A 80 -2.687 4.926 3.987 1.00 0.14 H new ATOM 0 HA LEU A 80 -1.555 4.466 6.665 1.00 0.15 H new ATOM 0 HB2 LEU A 80 -3.956 6.057 5.733 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -3.430 5.895 7.396 1.00 0.19 H new ATOM 0 HG LEU A 80 -1.770 7.143 5.181 1.00 0.23 H new ATOM 0 HD11 LEU A 80 -2.289 9.284 6.273 1.00 0.29 H new ATOM 0 HD12 LEU A 80 -3.756 8.484 5.662 1.00 0.29 H new ATOM 0 HD13 LEU A 80 -3.378 8.443 7.401 1.00 0.29 H new ATOM 0 HD21 LEU A 80 -0.364 7.938 7.047 1.00 0.26 H new ATOM 0 HD22 LEU A 80 -1.391 7.047 8.196 1.00 0.26 H new ATOM 0 HD23 LEU A 80 -0.430 6.161 6.988 1.00 0.26 H new ATOM 1058 N PRO A 81 -3.185 2.681 7.351 1.00 0.15 N ATOM 1059 CA PRO A 81 -4.038 1.545 7.703 1.00 0.17 C ATOM 1060 C PRO A 81 -5.424 1.986 8.148 1.00 0.21 C ATOM 1061 O PRO A 81 -5.571 2.730 9.123 1.00 0.25 O ATOM 1062 CB PRO A 81 -3.298 0.867 8.860 1.00 0.21 C ATOM 1063 CG PRO A 81 -1.931 1.462 8.869 1.00 0.20 C ATOM 1064 CD PRO A 81 -2.073 2.841 8.292 1.00 0.17 C ATOM 0 HA PRO A 81 -4.201 0.886 6.850 1.00 0.17 H new ATOM 0 HB2 PRO A 81 -3.808 1.043 9.807 1.00 0.21 H new ATOM 0 HB3 PRO A 81 -3.254 -0.213 8.717 1.00 0.21 H new ATOM 0 HG2 PRO A 81 -1.530 1.503 9.882 1.00 0.20 H new ATOM 0 HG3 PRO A 81 -1.241 0.861 8.277 1.00 0.20 H new ATOM 0 HD2 PRO A 81 -2.296 3.581 9.061 1.00 0.17 H new ATOM 0 HD3 PRO A 81 -1.161 3.167 7.791 1.00 0.17 H new ATOM 1072 N VAL A 82 -6.432 1.528 7.428 1.00 0.23 N ATOM 1073 CA VAL A 82 -7.802 1.857 7.730 1.00 0.30 C ATOM 1074 C VAL A 82 -8.582 0.594 8.046 1.00 0.39 C ATOM 1075 O VAL A 82 -8.258 -0.486 7.560 1.00 0.42 O ATOM 1076 CB VAL A 82 -8.480 2.605 6.565 1.00 0.25 C ATOM 1077 CG1 VAL A 82 -7.947 4.024 6.456 1.00 0.33 C ATOM 1078 CG2 VAL A 82 -8.288 1.870 5.247 1.00 0.20 C ATOM 0 H VAL A 82 -6.318 0.918 6.619 1.00 0.23 H new ATOM 0 HA VAL A 82 -7.799 2.516 8.598 1.00 0.30 H new ATOM 0 HB VAL A 82 -9.548 2.645 6.778 1.00 0.25 H new ATOM 0 HG11 VAL A 82 -8.438 4.535 5.628 1.00 0.33 H new ATOM 0 HG12 VAL A 82 -8.148 4.560 7.383 1.00 0.33 H new ATOM 0 HG13 VAL A 82 -6.872 3.996 6.279 1.00 0.33 H new ATOM 0 HG21 VAL A 82 -8.778 2.424 4.447 1.00 0.20 H new ATOM 0 HG22 VAL A 82 -7.223 1.785 5.030 1.00 0.20 H new ATOM 0 HG23 VAL A 82 -8.725 0.874 5.319 1.00 0.20 H new ATOM 1088 N THR A 83 -9.590 0.726 8.876 1.00 0.53 N ATOM 1089 CA THR A 83 -10.421 -0.405 9.239 1.00 0.70 C ATOM 1090 C THR A 83 -11.886 0.010 9.274 1.00 1.46 C ATOM 1091 O THR A 83 -12.225 1.059 9.824 1.00 2.07 O ATOM 1092 CB THR A 83 -10.008 -0.988 10.608 1.00 1.31 C ATOM 1093 OG1 THR A 83 -8.595 -1.246 10.625 1.00 1.98 O ATOM 1094 CG2 THR A 83 -10.759 -2.279 10.901 1.00 1.65 C ATOM 0 H THR A 83 -9.857 1.607 9.315 1.00 0.53 H new ATOM 0 HA THR A 83 -10.282 -1.179 8.484 1.00 0.70 H new ATOM 0 HB THR A 83 -10.259 -0.256 11.376 1.00 1.31 H new ATOM 0 HG1 THR A 83 -8.340 -1.614 11.497 1.00 1.98 H new ATOM 0 HG21 THR A 83 -10.449 -2.668 11.871 1.00 1.65 H new ATOM 0 HG22 THR A 83 -11.831 -2.081 10.915 1.00 1.65 H new ATOM 0 HG23 THR A 83 -10.536 -3.014 10.127 1.00 1.65 H new ATOM 1102 N LEU A 84 -12.732 -0.816 8.670 1.00 1.87 N ATOM 1103 CA LEU A 84 -14.165 -0.566 8.599 1.00 2.80 C ATOM 1104 C LEU A 84 -14.459 0.756 7.892 1.00 3.45 C ATOM 1105 O LEU A 84 -14.918 1.707 8.554 1.00 3.87 O ATOM 1106 CB LEU A 84 -14.766 -0.576 10.001 1.00 3.22 C ATOM 1107 CG LEU A 84 -14.704 -1.928 10.708 1.00 3.13 C ATOM 1108 CD1 LEU A 84 -15.149 -1.800 12.155 1.00 3.79 C ATOM 1109 CD2 LEU A 84 -15.552 -2.957 9.978 1.00 3.37 C ATOM 1110 OXT LEU A 84 -14.200 0.844 6.675 1.00 3.91 O ATOM 0 H LEU A 84 -12.441 -1.681 8.214 1.00 1.87 H new ATOM 0 HA LEU A 84 -14.626 -1.362 8.014 1.00 2.80 H new ATOM 0 HB2 LEU A 84 -14.246 0.163 10.611 1.00 3.22 H new ATOM 0 HB3 LEU A 84 -15.808 -0.261 9.938 1.00 3.22 H new ATOM 0 HG LEU A 84 -13.668 -2.268 10.697 1.00 3.13 H new ATOM 0 HD11 LEU A 84 -15.097 -2.775 12.639 1.00 3.79 H new ATOM 0 HD12 LEU A 84 -14.495 -1.101 12.676 1.00 3.79 H new ATOM 0 HD13 LEU A 84 -16.175 -1.432 12.189 1.00 3.79 H new ATOM 0 HD21 LEU A 84 -15.493 -3.913 10.499 1.00 3.37 H new ATOM 0 HD22 LEU A 84 -16.589 -2.621 9.952 1.00 3.37 H new ATOM 0 HD23 LEU A 84 -15.183 -3.076 8.959 1.00 3.37 H new TER 1122 LEU A 84