USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 474 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 40 MET CE :methyl -164:sc= -0.0312 (180deg=-0.345) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.4!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0434 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0163 K(o=-0.016,f=-1.1) USER MOD Single : A 35 SER OG : rot 180:sc= 0.124 USER MOD Single : A 38 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.21) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -117:sc= -0.751 (180deg=-0.903) USER MOD Single : A 45 ASN : amide:sc= -0.0367 K(o=-0.037,f=-1.4!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.095 X(o=-0.095,f=-0.17) USER MOD Single : A 63 ASN : amide:sc= -0.0386 K(o=-0.039,f=-1.3!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 11 0.692 0.462 0.381 1.00 49.53 N ATOM 2 CA TRP A 11 1.316 1.681 0.880 1.00 50.07 C ATOM 3 C TRP A 11 0.370 2.869 0.770 1.00 50.51 C ATOM 4 O TRP A 11 -0.634 2.813 0.059 1.00 49.49 O ATOM 5 CB TRP A 11 2.610 1.969 0.116 1.00 49.82 C ATOM 6 CG TRP A 11 3.658 0.913 0.296 1.00 49.97 C ATOM 7 CD1 TRP A 11 3.957 -0.096 -0.571 1.00 50.03 C ATOM 8 CD2 TRP A 11 4.546 0.761 1.410 1.00 49.98 C ATOM 9 NE1 TRP A 11 4.973 -0.868 -0.067 1.00 49.39 N ATOM 10 CE2 TRP A 11 5.354 -0.361 1.149 1.00 50.13 C ATOM 11 CE3 TRP A 11 4.737 1.467 2.605 1.00 49.88 C ATOM 12 CZ2 TRP A 11 6.331 -0.794 2.031 1.00 49.88 C ATOM 13 CZ3 TRP A 11 5.717 1.033 3.489 1.00 49.88 C ATOM 14 CH2 TRP A 11 6.491 -0.065 3.210 1.00 49.88 C ATOM 0 HA TRP A 11 1.551 1.529 1.933 1.00 50.07 H new ATOM 0 HB2 TRP A 11 2.382 2.066 -0.945 1.00 49.82 H new ATOM 0 HB3 TRP A 11 3.011 2.928 0.445 1.00 49.82 H new ATOM 0 HD1 TRP A 11 3.465 -0.263 -1.518 1.00 50.03 H new ATOM 0 HE1 TRP A 11 5.379 -1.686 -0.522 1.00 49.39 H new ATOM 0 HE3 TRP A 11 4.134 2.333 2.835 1.00 49.88 H new ATOM 0 HZ2 TRP A 11 6.942 -1.658 1.815 1.00 49.88 H new ATOM 0 HZ3 TRP A 11 5.872 1.570 4.413 1.00 49.88 H new ATOM 0 HH2 TRP A 11 7.243 -0.373 3.921 1.00 49.88 H new ATOM 25 N ASN A 12 0.696 3.946 1.477 1.00 49.53 N ATOM 26 CA ASN A 12 -0.129 5.149 1.467 1.00 50.07 C ATOM 27 C ASN A 12 0.046 5.925 0.169 1.00 50.51 C ATOM 28 O ASN A 12 -0.923 6.435 -0.396 1.00 49.49 O ATOM 29 CB ASN A 12 0.174 6.040 2.657 1.00 49.82 C ATOM 30 CG ASN A 12 -0.357 5.512 3.961 1.00 50.55 C ATOM 31 OD1 ASN A 12 -1.270 4.678 3.990 1.00 49.45 O ATOM 32 ND2 ASN A 12 0.150 6.052 5.039 1.00 49.38 N ATOM 0 H ASN A 12 1.527 4.010 2.065 1.00 49.53 H new ATOM 0 HA ASN A 12 -1.168 4.828 1.539 1.00 50.07 H new ATOM 0 HB2 ASN A 12 1.254 6.166 2.739 1.00 49.82 H new ATOM 0 HB3 ASN A 12 -0.249 7.028 2.476 1.00 49.82 H new ATOM 0 HD21 ASN A 12 -0.207 5.789 5.957 1.00 49.38 H new ATOM 0 HD22 ASN A 12 0.903 6.736 4.961 1.00 49.38 H new ATOM 39 N THR A 13 1.286 6.012 -0.300 1.00 49.53 N ATOM 40 CA THR A 13 1.590 6.726 -1.535 1.00 50.07 C ATOM 41 C THR A 13 2.365 5.843 -2.504 1.00 50.51 C ATOM 42 O THR A 13 2.974 4.851 -2.104 1.00 49.49 O ATOM 43 CB THR A 13 2.400 8.006 -1.263 1.00 50.14 C ATOM 44 OG1 THR A 13 3.667 7.661 -0.690 1.00 49.34 O ATOM 45 CG2 THR A 13 1.647 8.921 -0.308 1.00 49.73 C ATOM 0 H THR A 13 2.098 5.596 0.157 1.00 49.53 H new ATOM 0 HA THR A 13 0.635 7.001 -1.982 1.00 50.07 H new ATOM 0 HB THR A 13 2.552 8.529 -2.207 1.00 50.14 H new ATOM 0 HG1 THR A 13 4.182 8.477 -0.519 1.00 49.34 H new ATOM 0 HG21 THR A 13 2.235 9.821 -0.127 1.00 49.73 H new ATOM 0 HG22 THR A 13 0.688 9.196 -0.748 1.00 49.73 H new ATOM 0 HG23 THR A 13 1.478 8.402 0.636 1.00 49.73 H new ATOM 53 N LYS A 14 2.338 6.209 -3.782 1.00 49.53 N ATOM 54 CA LYS A 14 3.037 5.449 -4.811 1.00 50.07 C ATOM 55 C LYS A 14 4.545 5.492 -4.601 1.00 50.51 C ATOM 56 O LYS A 14 5.256 4.546 -4.940 1.00 49.49 O ATOM 57 CB LYS A 14 2.683 5.979 -6.201 1.00 49.82 C ATOM 58 CG LYS A 14 1.253 5.693 -6.639 1.00 49.82 C ATOM 59 CD LYS A 14 0.976 6.255 -8.026 1.00 49.82 C ATOM 60 CE LYS A 14 -0.454 5.972 -8.464 1.00 50.21 C ATOM 61 NZ LYS A 14 -0.748 6.541 -9.806 1.00 49.70 N ATOM 0 H LYS A 14 1.839 7.028 -4.129 1.00 49.53 H new ATOM 0 HA LYS A 14 2.714 4.411 -4.735 1.00 50.07 H new ATOM 0 HB2 LYS A 14 2.846 7.057 -6.218 1.00 49.82 H new ATOM 0 HB3 LYS A 14 3.367 5.541 -6.928 1.00 49.82 H new ATOM 0 HG2 LYS A 14 1.079 4.617 -6.639 1.00 49.82 H new ATOM 0 HG3 LYS A 14 0.557 6.129 -5.922 1.00 49.82 H new ATOM 0 HD2 LYS A 14 1.152 7.331 -8.026 1.00 49.82 H new ATOM 0 HD3 LYS A 14 1.671 5.818 -8.743 1.00 49.82 H new ATOM 0 HE2 LYS A 14 -0.621 4.895 -8.482 1.00 50.21 H new ATOM 0 HE3 LYS A 14 -1.147 6.390 -7.733 1.00 50.21 H new ATOM 0 HZ1 LYS A 14 -1.732 6.326 -10.066 1.00 49.70 H new ATOM 0 HZ2 LYS A 14 -0.614 7.572 -9.783 1.00 49.70 H new ATOM 0 HZ3 LYS A 14 -0.105 6.124 -10.509 1.00 49.70 H new ATOM 75 N GLU A 15 5.027 6.597 -4.042 1.00 49.53 N ATOM 76 CA GLU A 15 6.452 6.767 -3.787 1.00 50.07 C ATOM 77 C GLU A 15 6.958 5.743 -2.779 1.00 50.51 C ATOM 78 O GLU A 15 8.084 5.258 -2.882 1.00 49.49 O ATOM 79 CB GLU A 15 6.743 8.184 -3.287 1.00 49.82 C ATOM 80 CG GLU A 15 6.579 9.269 -4.343 1.00 49.72 C ATOM 81 CD GLU A 15 6.775 10.638 -3.753 1.00 50.62 C ATOM 82 OE1 GLU A 15 6.959 10.731 -2.564 1.00 49.24 O ATOM 83 OE2 GLU A 15 6.853 11.581 -4.505 1.00 49.24 O ATOM 0 H GLU A 15 4.451 7.389 -3.757 1.00 49.53 H new ATOM 0 HA GLU A 15 6.979 6.609 -4.728 1.00 50.07 H new ATOM 0 HB2 GLU A 15 6.080 8.405 -2.451 1.00 49.82 H new ATOM 0 HB3 GLU A 15 7.763 8.219 -2.903 1.00 49.82 H new ATOM 0 HG2 GLU A 15 7.299 9.110 -5.146 1.00 49.72 H new ATOM 0 HG3 GLU A 15 5.586 9.201 -4.787 1.00 49.72 H new ATOM 90 N GLU A 16 6.116 5.416 -1.803 1.00 49.53 N ATOM 91 CA GLU A 16 6.444 4.389 -0.822 1.00 50.07 C ATOM 92 C GLU A 16 6.557 3.018 -1.477 1.00 50.51 C ATOM 93 O GLU A 16 7.442 2.231 -1.143 1.00 49.49 O ATOM 94 CB GLU A 16 5.392 4.355 0.290 1.00 49.82 C ATOM 95 CG GLU A 16 5.435 5.550 1.232 1.00 49.72 C ATOM 96 CD GLU A 16 4.278 5.531 2.191 1.00 50.62 C ATOM 97 OE1 GLU A 16 3.441 4.668 2.066 1.00 49.24 O ATOM 98 OE2 GLU A 16 4.288 6.305 3.119 1.00 49.24 O ATOM 0 H GLU A 16 5.201 5.848 -1.671 1.00 49.53 H new ATOM 0 HA GLU A 16 7.411 4.640 -0.387 1.00 50.07 H new ATOM 0 HB2 GLU A 16 4.403 4.301 -0.164 1.00 49.82 H new ATOM 0 HB3 GLU A 16 5.526 3.443 0.872 1.00 49.82 H new ATOM 0 HG2 GLU A 16 6.372 5.543 1.789 1.00 49.72 H new ATOM 0 HG3 GLU A 16 5.415 6.473 0.653 1.00 49.72 H new ATOM 105 N ALA A 17 5.655 2.738 -2.411 1.00 49.53 N ATOM 106 CA ALA A 17 5.698 1.492 -3.169 1.00 50.07 C ATOM 107 C ALA A 17 6.949 1.418 -4.035 1.00 50.51 C ATOM 108 O ALA A 17 7.556 0.357 -4.173 1.00 49.49 O ATOM 109 CB ALA A 17 4.448 1.350 -4.025 1.00 49.73 C ATOM 0 H ALA A 17 4.884 3.357 -2.662 1.00 49.53 H new ATOM 0 HA ALA A 17 5.732 0.666 -2.459 1.00 50.07 H new ATOM 0 HB1 ALA A 17 4.494 0.416 -4.585 1.00 49.73 H new ATOM 0 HB2 ALA A 17 3.567 1.345 -3.384 1.00 49.73 H new ATOM 0 HB3 ALA A 17 4.386 2.187 -4.721 1.00 49.73 H new ATOM 115 N LYS A 18 7.329 2.551 -4.615 1.00 49.53 N ATOM 116 CA LYS A 18 8.530 2.625 -5.438 1.00 50.07 C ATOM 117 C LYS A 18 9.774 2.278 -4.629 1.00 50.51 C ATOM 118 O LYS A 18 10.641 1.540 -5.094 1.00 49.49 O ATOM 119 CB LYS A 18 8.674 4.018 -6.053 1.00 49.82 C ATOM 120 CG LYS A 18 7.670 4.324 -7.159 1.00 49.82 C ATOM 121 CD LYS A 18 7.844 5.740 -7.686 1.00 49.82 C ATOM 122 CE LYS A 18 6.797 6.072 -8.739 1.00 50.21 C ATOM 123 NZ LYS A 18 6.942 7.462 -9.251 1.00 49.70 N ATOM 0 H LYS A 18 6.822 3.432 -4.530 1.00 49.53 H new ATOM 0 HA LYS A 18 8.430 1.894 -6.240 1.00 50.07 H new ATOM 0 HB2 LYS A 18 8.566 4.763 -5.265 1.00 49.82 H new ATOM 0 HB3 LYS A 18 9.682 4.122 -6.455 1.00 49.82 H new ATOM 0 HG2 LYS A 18 7.796 3.612 -7.975 1.00 49.82 H new ATOM 0 HG3 LYS A 18 6.656 4.197 -6.779 1.00 49.82 H new ATOM 0 HD2 LYS A 18 7.770 6.449 -6.861 1.00 49.82 H new ATOM 0 HD3 LYS A 18 8.840 5.851 -8.114 1.00 49.82 H new ATOM 0 HE2 LYS A 18 6.881 5.370 -9.568 1.00 50.21 H new ATOM 0 HE3 LYS A 18 5.802 5.944 -8.313 1.00 50.21 H new ATOM 0 HZ1 LYS A 18 6.210 7.647 -9.966 1.00 49.70 H new ATOM 0 HZ2 LYS A 18 6.836 8.134 -8.465 1.00 49.70 H new ATOM 0 HZ3 LYS A 18 7.882 7.577 -9.681 1.00 49.70 H new ATOM 137 N GLN A 19 9.854 2.818 -3.417 1.00 49.53 N ATOM 138 CA GLN A 19 10.969 2.530 -2.524 1.00 50.07 C ATOM 139 C GLN A 19 11.003 1.056 -2.141 1.00 50.51 C ATOM 140 O GLN A 19 12.070 0.449 -2.062 1.00 49.49 O ATOM 141 CB GLN A 19 10.879 3.390 -1.260 1.00 49.82 C ATOM 142 CG GLN A 19 11.179 4.862 -1.486 1.00 49.82 C ATOM 143 CD GLN A 19 10.975 5.692 -0.233 1.00 50.55 C ATOM 144 OE1 GLN A 19 10.579 5.175 0.815 1.00 49.45 O ATOM 145 NE2 GLN A 19 11.242 6.990 -0.334 1.00 49.38 N ATOM 0 H GLN A 19 9.159 3.458 -3.031 1.00 49.53 H new ATOM 0 HA GLN A 19 11.889 2.769 -3.057 1.00 50.07 H new ATOM 0 HB2 GLN A 19 9.878 3.295 -0.840 1.00 49.82 H new ATOM 0 HB3 GLN A 19 11.575 2.999 -0.518 1.00 49.82 H new ATOM 0 HG2 GLN A 19 12.208 4.972 -1.828 1.00 49.82 H new ATOM 0 HG3 GLN A 19 10.537 5.243 -2.280 1.00 49.82 H new ATOM 0 HE21 GLN A 19 11.568 7.376 -1.220 1.00 49.38 H new ATOM 0 HE22 GLN A 19 11.121 7.600 0.475 1.00 49.38 H new ATOM 154 N ALA A 20 9.825 0.485 -1.905 1.00 49.53 N ATOM 155 CA ALA A 20 9.711 -0.939 -1.613 1.00 50.07 C ATOM 156 C ALA A 20 10.136 -1.784 -2.807 1.00 50.51 C ATOM 157 O ALA A 20 10.722 -2.854 -2.645 1.00 49.49 O ATOM 158 CB ALA A 20 8.287 -1.281 -1.197 1.00 49.73 C ATOM 0 H ALA A 20 8.937 0.987 -1.910 1.00 49.53 H new ATOM 0 HA ALA A 20 10.383 -1.168 -0.786 1.00 50.07 H new ATOM 0 HB1 ALA A 20 8.217 -2.347 -0.982 1.00 49.73 H new ATOM 0 HB2 ALA A 20 8.022 -0.713 -0.305 1.00 49.73 H new ATOM 0 HB3 ALA A 20 7.601 -1.028 -2.005 1.00 49.73 H new ATOM 164 N PHE A 21 9.837 -1.296 -4.006 1.00 49.53 N ATOM 165 CA PHE A 21 10.252 -1.968 -5.231 1.00 50.07 C ATOM 166 C PHE A 21 11.764 -1.906 -5.408 1.00 50.51 C ATOM 167 O PHE A 21 12.381 -2.850 -5.902 1.00 49.49 O ATOM 168 CB PHE A 21 9.556 -1.348 -6.443 1.00 49.82 C ATOM 169 CG PHE A 21 8.069 -1.558 -6.461 1.00 50.00 C ATOM 170 CD1 PHE A 21 7.475 -2.486 -5.618 1.00 49.88 C ATOM 171 CD2 PHE A 21 7.260 -0.831 -7.321 1.00 49.88 C ATOM 172 CE1 PHE A 21 6.107 -2.680 -5.633 1.00 49.88 C ATOM 173 CE2 PHE A 21 5.893 -1.022 -7.337 1.00 49.88 C ATOM 174 CZ PHE A 21 5.315 -1.948 -6.493 1.00 49.88 C ATOM 0 H PHE A 21 9.308 -0.437 -4.155 1.00 49.53 H new ATOM 0 HA PHE A 21 9.961 -3.015 -5.152 1.00 50.07 H new ATOM 0 HB2 PHE A 21 9.763 -0.278 -6.461 1.00 49.82 H new ATOM 0 HB3 PHE A 21 9.984 -1.771 -7.352 1.00 49.82 H new ATOM 0 HD1 PHE A 21 8.089 -3.063 -4.942 1.00 49.88 H new ATOM 0 HD2 PHE A 21 7.705 -0.106 -7.987 1.00 49.88 H new ATOM 0 HE1 PHE A 21 5.658 -3.405 -4.971 1.00 49.88 H new ATOM 0 HE2 PHE A 21 5.275 -0.446 -8.011 1.00 49.88 H new ATOM 0 HZ PHE A 21 4.246 -2.099 -6.506 1.00 49.88 H new ATOM 184 N LYS A 22 12.357 -0.789 -5.001 1.00 49.53 N ATOM 185 CA LYS A 22 13.808 -0.643 -5.011 1.00 50.07 C ATOM 186 C LYS A 22 14.467 -1.638 -4.065 1.00 50.51 C ATOM 187 O LYS A 22 15.536 -2.176 -4.359 1.00 49.49 O ATOM 188 CB LYS A 22 14.206 0.785 -4.634 1.00 49.82 C ATOM 189 CG LYS A 22 13.893 1.827 -5.699 1.00 49.82 C ATOM 190 CD LYS A 22 14.264 3.226 -5.230 1.00 49.82 C ATOM 191 CE LYS A 22 13.917 4.273 -6.279 1.00 50.21 C ATOM 192 NZ LYS A 22 14.274 5.647 -5.834 1.00 49.70 N ATOM 0 H LYS A 22 11.854 0.030 -4.659 1.00 49.53 H new ATOM 0 HA LYS A 22 14.157 -0.851 -6.022 1.00 50.07 H new ATOM 0 HB2 LYS A 22 13.694 1.060 -3.712 1.00 49.82 H new ATOM 0 HB3 LYS A 22 15.275 0.808 -4.424 1.00 49.82 H new ATOM 0 HG2 LYS A 22 14.438 1.591 -6.613 1.00 49.82 H new ATOM 0 HG3 LYS A 22 12.831 1.793 -5.943 1.00 49.82 H new ATOM 0 HD2 LYS A 22 13.740 3.451 -4.301 1.00 49.82 H new ATOM 0 HD3 LYS A 22 15.331 3.267 -5.011 1.00 49.82 H new ATOM 0 HE2 LYS A 22 14.442 4.045 -7.207 1.00 50.21 H new ATOM 0 HE3 LYS A 22 12.850 4.228 -6.497 1.00 50.21 H new ATOM 0 HZ1 LYS A 22 14.021 6.329 -6.577 1.00 49.70 H new ATOM 0 HZ2 LYS A 22 13.754 5.876 -4.963 1.00 49.70 H new ATOM 0 HZ3 LYS A 22 15.296 5.698 -5.651 1.00 49.70 H new ATOM 206 N GLU A 23 13.825 -1.880 -2.927 1.00 49.53 N ATOM 207 CA GLU A 23 14.287 -2.895 -1.987 1.00 50.07 C ATOM 208 C GLU A 23 14.256 -4.282 -2.616 1.00 50.51 C ATOM 209 O GLU A 23 15.165 -5.087 -2.412 1.00 49.49 O ATOM 210 CB GLU A 23 13.434 -2.875 -0.717 1.00 49.82 C ATOM 211 CG GLU A 23 13.652 -1.656 0.168 1.00 49.72 C ATOM 212 CD GLU A 23 12.639 -1.599 1.277 1.00 50.62 C ATOM 213 OE1 GLU A 23 11.748 -2.414 1.286 1.00 49.24 O ATOM 214 OE2 GLU A 23 12.818 -0.811 2.177 1.00 49.24 O ATOM 0 H GLU A 23 12.982 -1.386 -2.633 1.00 49.53 H new ATOM 0 HA GLU A 23 15.319 -2.662 -1.725 1.00 50.07 H new ATOM 0 HB2 GLU A 23 12.382 -2.920 -1.000 1.00 49.82 H new ATOM 0 HB3 GLU A 23 13.647 -3.773 -0.137 1.00 49.82 H new ATOM 0 HG2 GLU A 23 14.656 -1.686 0.591 1.00 49.72 H new ATOM 0 HG3 GLU A 23 13.586 -0.750 -0.434 1.00 49.72 H new ATOM 221 N LEU A 24 13.206 -4.555 -3.383 1.00 49.53 N ATOM 222 CA LEU A 24 13.099 -5.811 -4.116 1.00 50.07 C ATOM 223 C LEU A 24 14.182 -5.922 -5.182 1.00 50.51 C ATOM 224 O LEU A 24 14.745 -6.996 -5.399 1.00 49.49 O ATOM 225 CB LEU A 24 11.710 -5.937 -4.753 1.00 49.82 C ATOM 226 CG LEU A 24 10.559 -6.178 -3.767 1.00 49.91 C ATOM 227 CD1 LEU A 24 9.222 -6.011 -4.476 1.00 49.73 C ATOM 228 CD2 LEU A 24 10.684 -7.572 -3.170 1.00 49.73 C ATOM 0 H LEU A 24 12.416 -3.923 -3.513 1.00 49.53 H new ATOM 0 HA LEU A 24 13.240 -6.628 -3.408 1.00 50.07 H new ATOM 0 HB2 LEU A 24 11.501 -5.026 -5.315 1.00 49.82 H new ATOM 0 HB3 LEU A 24 11.730 -6.757 -5.471 1.00 49.82 H new ATOM 0 HG LEU A 24 10.611 -5.446 -2.961 1.00 49.91 H new ATOM 0 HD11 LEU A 24 8.411 -6.184 -3.769 1.00 49.73 H new ATOM 0 HD12 LEU A 24 9.146 -5.000 -4.875 1.00 49.73 H new ATOM 0 HD13 LEU A 24 9.151 -6.730 -5.292 1.00 49.73 H new ATOM 0 HD21 LEU A 24 9.866 -7.743 -2.470 1.00 49.73 H new ATOM 0 HD22 LEU A 24 10.640 -8.314 -3.967 1.00 49.73 H new ATOM 0 HD23 LEU A 24 11.635 -7.659 -2.645 1.00 49.73 H new ATOM 240 N LEU A 25 14.470 -4.806 -5.843 1.00 49.53 N ATOM 241 CA LEU A 25 15.523 -4.763 -6.850 1.00 50.07 C ATOM 242 C LEU A 25 16.883 -5.079 -6.240 1.00 50.51 C ATOM 243 O LEU A 25 17.729 -5.709 -6.874 1.00 49.49 O ATOM 244 CB LEU A 25 15.551 -3.389 -7.531 1.00 49.82 C ATOM 245 CG LEU A 25 14.347 -3.084 -8.432 1.00 49.91 C ATOM 246 CD1 LEU A 25 14.391 -1.631 -8.885 1.00 49.73 C ATOM 247 CD2 LEU A 25 14.356 -4.022 -9.629 1.00 49.73 C ATOM 0 H LEU A 25 13.988 -3.919 -5.699 1.00 49.53 H new ATOM 0 HA LEU A 25 15.305 -5.525 -7.598 1.00 50.07 H new ATOM 0 HB2 LEU A 25 15.613 -2.620 -6.761 1.00 49.82 H new ATOM 0 HB3 LEU A 25 16.460 -3.315 -8.128 1.00 49.82 H new ATOM 0 HG LEU A 25 13.425 -3.240 -7.872 1.00 49.91 H new ATOM 0 HD11 LEU A 25 13.533 -1.423 -9.524 1.00 49.73 H new ATOM 0 HD12 LEU A 25 14.361 -0.977 -8.013 1.00 49.73 H new ATOM 0 HD13 LEU A 25 15.310 -1.451 -9.442 1.00 49.73 H new ATOM 0 HD21 LEU A 25 13.500 -3.804 -10.268 1.00 49.73 H new ATOM 0 HD22 LEU A 25 15.277 -3.881 -10.195 1.00 49.73 H new ATOM 0 HD23 LEU A 25 14.297 -5.054 -9.283 1.00 49.73 H new ATOM 259 N LYS A 26 17.087 -4.637 -5.002 1.00 49.53 N ATOM 260 CA LYS A 26 18.312 -4.941 -4.274 1.00 50.07 C ATOM 261 C LYS A 26 18.358 -6.406 -3.857 1.00 50.51 C ATOM 262 O LYS A 26 19.408 -7.045 -3.914 1.00 49.49 O ATOM 263 CB LYS A 26 18.440 -4.042 -3.043 1.00 49.82 C ATOM 264 CG LYS A 26 18.723 -2.579 -3.359 1.00 49.82 C ATOM 265 CD LYS A 26 18.839 -1.750 -2.089 1.00 49.82 C ATOM 266 CE LYS A 26 19.087 -0.282 -2.406 1.00 50.21 C ATOM 267 NZ LYS A 26 19.180 0.545 -1.173 1.00 49.70 N ATOM 0 H LYS A 26 16.419 -4.067 -4.483 1.00 49.53 H new ATOM 0 HA LYS A 26 19.152 -4.750 -4.942 1.00 50.07 H new ATOM 0 HB2 LYS A 26 17.518 -4.104 -2.465 1.00 49.82 H new ATOM 0 HB3 LYS A 26 19.240 -4.426 -2.410 1.00 49.82 H new ATOM 0 HG2 LYS A 26 19.647 -2.501 -3.932 1.00 49.82 H new ATOM 0 HG3 LYS A 26 17.925 -2.179 -3.985 1.00 49.82 H new ATOM 0 HD2 LYS A 26 17.925 -1.848 -1.504 1.00 49.82 H new ATOM 0 HD3 LYS A 26 19.654 -2.134 -1.475 1.00 49.82 H new ATOM 0 HE2 LYS A 26 20.010 -0.185 -2.978 1.00 50.21 H new ATOM 0 HE3 LYS A 26 18.281 0.094 -3.035 1.00 50.21 H new ATOM 0 HZ1 LYS A 26 19.349 1.538 -1.433 1.00 49.70 H new ATOM 0 HZ2 LYS A 26 18.290 0.474 -0.639 1.00 49.70 H new ATOM 0 HZ3 LYS A 26 19.966 0.203 -0.584 1.00 49.70 H new ATOM 281 N GLU A 27 17.212 -6.933 -3.441 1.00 49.53 N ATOM 282 CA GLU A 27 17.106 -8.339 -3.069 1.00 50.07 C ATOM 283 C GLU A 27 17.512 -9.247 -4.223 1.00 50.51 C ATOM 284 O GLU A 27 18.182 -10.260 -4.022 1.00 49.49 O ATOM 285 CB GLU A 27 15.680 -8.668 -2.618 1.00 49.82 C ATOM 286 CG GLU A 27 15.483 -10.105 -2.156 1.00 49.72 C ATOM 287 CD GLU A 27 14.067 -10.344 -1.708 1.00 50.62 C ATOM 288 OE1 GLU A 27 13.285 -9.427 -1.759 1.00 49.24 O ATOM 289 OE2 GLU A 27 13.740 -11.472 -1.422 1.00 49.24 O ATOM 0 H GLU A 27 16.342 -6.407 -3.353 1.00 49.53 H new ATOM 0 HA GLU A 27 17.790 -8.516 -2.239 1.00 50.07 H new ATOM 0 HB2 GLU A 27 15.405 -7.997 -1.804 1.00 49.82 H new ATOM 0 HB3 GLU A 27 14.996 -8.467 -3.442 1.00 49.82 H new ATOM 0 HG2 GLU A 27 15.730 -10.788 -2.969 1.00 49.72 H new ATOM 0 HG3 GLU A 27 16.168 -10.323 -1.337 1.00 49.72 H new ATOM 296 N LYS A 28 17.102 -8.877 -5.431 1.00 49.53 N ATOM 297 CA LYS A 28 17.411 -9.665 -6.619 1.00 50.07 C ATOM 298 C LYS A 28 18.716 -9.208 -7.259 1.00 50.51 C ATOM 299 O LYS A 28 19.065 -9.641 -8.357 1.00 49.49 O ATOM 300 CB LYS A 28 16.270 -9.577 -7.633 1.00 49.82 C ATOM 301 CG LYS A 28 14.955 -10.178 -7.154 1.00 49.82 C ATOM 302 CD LYS A 28 15.099 -11.665 -6.866 1.00 49.82 C ATOM 303 CE LYS A 28 13.774 -12.277 -6.435 1.00 50.21 C ATOM 304 NZ LYS A 28 13.902 -13.731 -6.140 1.00 49.70 N ATOM 0 H LYS A 28 16.555 -8.036 -5.614 1.00 49.53 H new ATOM 0 HA LYS A 28 17.528 -10.703 -6.308 1.00 50.07 H new ATOM 0 HB2 LYS A 28 16.106 -8.530 -7.887 1.00 49.82 H new ATOM 0 HB3 LYS A 28 16.574 -10.083 -8.549 1.00 49.82 H new ATOM 0 HG2 LYS A 28 14.623 -9.661 -6.253 1.00 49.82 H new ATOM 0 HG3 LYS A 28 14.186 -10.025 -7.911 1.00 49.82 H new ATOM 0 HD2 LYS A 28 15.465 -12.176 -7.756 1.00 49.82 H new ATOM 0 HD3 LYS A 28 15.843 -11.815 -6.084 1.00 49.82 H new ATOM 0 HE2 LYS A 28 13.406 -11.758 -5.550 1.00 50.21 H new ATOM 0 HE3 LYS A 28 13.034 -12.130 -7.221 1.00 50.21 H new ATOM 0 HZ1 LYS A 28 12.978 -14.109 -5.850 1.00 49.70 H new ATOM 0 HZ2 LYS A 28 14.229 -14.231 -6.992 1.00 49.70 H new ATOM 0 HZ3 LYS A 28 14.589 -13.870 -5.372 1.00 49.70 H new ATOM 318 N ARG A 29 19.434 -8.331 -6.565 1.00 49.53 N ATOM 319 CA ARG A 29 20.689 -7.794 -7.077 1.00 50.07 C ATOM 320 C ARG A 29 20.595 -7.500 -8.569 1.00 50.51 C ATOM 321 O ARG A 29 21.402 -7.988 -9.359 1.00 49.49 O ATOM 322 CB ARG A 29 21.872 -8.696 -6.760 1.00 49.82 C ATOM 323 CG ARG A 29 22.182 -8.849 -5.279 1.00 49.82 C ATOM 324 CD ARG A 29 23.400 -9.648 -4.988 1.00 50.20 C ATOM 325 NE ARG A 29 23.653 -9.865 -3.573 1.00 49.30 N ATOM 326 CZ ARG A 29 24.671 -10.601 -3.082 1.00 50.64 C ATOM 327 NH1 ARG A 29 25.507 -11.221 -3.884 1.00 49.20 N ATOM 328 NH2 ARG A 29 24.791 -10.701 -1.770 1.00 49.20 N ATOM 0 H ARG A 29 19.168 -7.977 -5.646 1.00 49.53 H new ATOM 0 HA ARG A 29 20.867 -6.850 -6.562 1.00 50.07 H new ATOM 0 HB2 ARG A 29 21.680 -9.683 -7.180 1.00 49.82 H new ATOM 0 HB3 ARG A 29 22.755 -8.302 -7.262 1.00 49.82 H new ATOM 0 HG2 ARG A 29 22.298 -7.858 -4.840 1.00 49.82 H new ATOM 0 HG3 ARG A 29 21.329 -9.317 -4.788 1.00 49.82 H new ATOM 0 HD2 ARG A 29 23.311 -10.616 -5.481 1.00 50.20 H new ATOM 0 HD3 ARG A 29 24.262 -9.145 -5.426 1.00 50.20 H new ATOM 0 HE ARG A 29 23.016 -9.430 -2.905 1.00 49.30 H new ATOM 0 HH11 ARG A 29 25.392 -11.150 -4.895 1.00 49.20 H new ATOM 0 HH12 ARG A 29 26.271 -11.773 -3.496 1.00 49.20 H new ATOM 0 HH21 ARG A 29 24.124 -10.229 -1.159 1.00 49.20 H new ATOM 0 HH22 ARG A 29 25.550 -11.250 -1.368 1.00 49.20 H new ATOM 342 N VAL A 30 19.605 -6.699 -8.947 1.00 49.53 N ATOM 343 CA VAL A 30 19.366 -6.386 -10.352 1.00 50.07 C ATOM 344 C VAL A 30 20.465 -5.493 -10.911 1.00 50.51 C ATOM 345 O VAL A 30 20.720 -4.406 -10.392 1.00 49.49 O ATOM 346 CB VAL A 30 18.005 -5.696 -10.554 1.00 49.91 C ATOM 347 CG1 VAL A 30 17.822 -5.295 -12.010 1.00 49.73 C ATOM 348 CG2 VAL A 30 16.873 -6.610 -10.109 1.00 49.73 C ATOM 0 H VAL A 30 18.954 -6.254 -8.300 1.00 49.53 H new ATOM 0 HA VAL A 30 19.364 -7.335 -10.889 1.00 50.07 H new ATOM 0 HB VAL A 30 17.982 -4.794 -9.942 1.00 49.91 H new ATOM 0 HG11 VAL A 30 16.855 -4.809 -12.135 1.00 49.73 H new ATOM 0 HG12 VAL A 30 18.615 -4.605 -12.300 1.00 49.73 H new ATOM 0 HG13 VAL A 30 17.865 -6.183 -12.640 1.00 49.73 H new ATOM 0 HG21 VAL A 30 15.918 -6.106 -10.259 1.00 49.73 H new ATOM 0 HG22 VAL A 30 16.895 -7.528 -10.696 1.00 49.73 H new ATOM 0 HG23 VAL A 30 16.994 -6.851 -9.053 1.00 49.73 H new ATOM 358 N PRO A 31 21.114 -5.957 -11.974 1.00 49.71 N ATOM 359 CA PRO A 31 22.217 -5.219 -12.582 1.00 50.02 C ATOM 360 C PRO A 31 21.792 -3.805 -12.953 1.00 50.51 C ATOM 361 O PRO A 31 20.689 -3.589 -13.455 1.00 49.49 O ATOM 362 CB PRO A 31 22.592 -6.055 -13.817 1.00 49.82 C ATOM 363 CG PRO A 31 22.162 -7.457 -13.482 1.00 49.82 C ATOM 364 CD PRO A 31 20.725 -7.128 -12.770 1.00 50.00 C ATOM 0 HA PRO A 31 23.063 -5.090 -11.907 1.00 50.02 H new ATOM 0 HB2 PRO A 31 22.085 -5.689 -14.710 1.00 49.82 H new ATOM 0 HB3 PRO A 31 23.663 -6.007 -14.016 1.00 49.82 H new ATOM 0 HG2 PRO A 31 22.059 -8.087 -14.365 1.00 49.82 H new ATOM 0 HG3 PRO A 31 22.858 -7.961 -12.811 1.00 49.82 H new ATOM 0 HD2 PRO A 31 19.941 -6.902 -13.493 1.00 50.00 H new ATOM 0 HD3 PRO A 31 20.364 -7.952 -12.155 1.00 50.00 H new ATOM 372 N SER A 32 22.675 -2.843 -12.705 1.00 49.53 N ATOM 373 CA SER A 32 22.398 -1.448 -13.024 1.00 50.07 C ATOM 374 C SER A 32 22.332 -1.230 -14.530 1.00 50.51 C ATOM 375 O SER A 32 21.846 -0.200 -14.997 1.00 49.49 O ATOM 376 CB SER A 32 23.454 -0.552 -12.406 1.00 50.05 C ATOM 377 OG SER A 32 24.717 -0.754 -12.978 1.00 49.34 O ATOM 0 H SER A 32 23.590 -3.005 -12.283 1.00 49.53 H new ATOM 0 HA SER A 32 21.425 -1.190 -12.606 1.00 50.07 H new ATOM 0 HB2 SER A 32 23.162 0.491 -12.531 1.00 50.05 H new ATOM 0 HB3 SER A 32 23.507 -0.742 -11.334 1.00 50.05 H new ATOM 0 HG SER A 32 25.368 -0.157 -12.553 1.00 49.34 H new ATOM 383 N ASN A 33 22.826 -2.205 -15.286 1.00 49.53 N ATOM 384 CA ASN A 33 22.827 -2.119 -16.742 1.00 50.07 C ATOM 385 C ASN A 33 21.580 -2.765 -17.333 1.00 50.51 C ATOM 386 O ASN A 33 21.392 -2.775 -18.549 1.00 49.49 O ATOM 387 CB ASN A 33 24.074 -2.749 -17.333 1.00 49.82 C ATOM 388 CG ASN A 33 25.332 -1.971 -17.062 1.00 50.55 C ATOM 389 OD1 ASN A 33 25.306 -0.745 -16.901 1.00 49.45 O ATOM 390 ND2 ASN A 33 26.442 -2.663 -17.091 1.00 49.38 N ATOM 0 H ASN A 33 23.231 -3.064 -14.914 1.00 49.53 H new ATOM 0 HA ASN A 33 22.824 -1.061 -17.002 1.00 50.07 H new ATOM 0 HB2 ASN A 33 24.187 -3.756 -16.931 1.00 49.82 H new ATOM 0 HB3 ASN A 33 23.944 -2.848 -18.411 1.00 49.82 H new ATOM 0 HD21 ASN A 33 27.340 -2.192 -16.978 1.00 49.38 H new ATOM 0 HD22 ASN A 33 26.410 -3.673 -17.227 1.00 49.38 H new ATOM 397 N ALA A 34 20.732 -3.304 -16.464 1.00 49.53 N ATOM 398 CA ALA A 34 19.480 -3.916 -16.895 1.00 50.07 C ATOM 399 C ALA A 34 18.426 -2.858 -17.199 1.00 50.51 C ATOM 400 O ALA A 34 18.366 -1.820 -16.540 1.00 49.49 O ATOM 401 CB ALA A 34 18.973 -4.885 -15.839 1.00 49.73 C ATOM 0 H ALA A 34 20.889 -3.330 -15.456 1.00 49.53 H new ATOM 0 HA ALA A 34 19.674 -4.470 -17.814 1.00 50.07 H new ATOM 0 HB1 ALA A 34 18.038 -5.333 -16.175 1.00 49.73 H new ATOM 0 HB2 ALA A 34 19.714 -5.668 -15.678 1.00 49.73 H new ATOM 0 HB3 ALA A 34 18.803 -4.349 -14.905 1.00 49.73 H new ATOM 407 N SER A 35 17.596 -3.128 -18.200 1.00 49.53 N ATOM 408 CA SER A 35 16.526 -2.211 -18.578 1.00 50.07 C ATOM 409 C SER A 35 15.456 -2.139 -17.495 1.00 50.51 C ATOM 410 O SER A 35 15.426 -2.964 -16.583 1.00 49.49 O ATOM 411 CB SER A 35 15.915 -2.637 -19.898 1.00 50.05 C ATOM 412 OG SER A 35 15.183 -3.826 -19.780 1.00 49.34 O ATOM 0 H SER A 35 17.643 -3.976 -18.765 1.00 49.53 H new ATOM 0 HA SER A 35 16.955 -1.216 -18.692 1.00 50.07 H new ATOM 0 HB2 SER A 35 15.263 -1.845 -20.268 1.00 50.05 H new ATOM 0 HB3 SER A 35 16.705 -2.770 -20.637 1.00 50.05 H new ATOM 0 HG SER A 35 14.804 -4.065 -20.652 1.00 49.34 H new ATOM 418 N TRP A 36 14.580 -1.146 -17.604 1.00 49.53 N ATOM 419 CA TRP A 36 13.479 -0.991 -16.661 1.00 50.07 C ATOM 420 C TRP A 36 12.572 -2.215 -16.664 1.00 50.51 C ATOM 421 O TRP A 36 12.201 -2.729 -15.609 1.00 49.49 O ATOM 422 CB TRP A 36 12.667 0.264 -16.990 1.00 49.82 C ATOM 423 CG TRP A 36 11.549 0.523 -16.027 1.00 49.97 C ATOM 424 CD1 TRP A 36 11.620 1.235 -14.867 1.00 50.03 C ATOM 425 CD2 TRP A 36 10.192 0.075 -16.141 1.00 49.98 C ATOM 426 NE1 TRP A 36 10.395 1.257 -14.250 1.00 49.39 N ATOM 427 CE2 TRP A 36 9.499 0.552 -15.014 1.00 50.13 C ATOM 428 CE3 TRP A 36 9.496 -0.685 -17.090 1.00 49.88 C ATOM 429 CZ2 TRP A 36 8.153 0.297 -14.806 1.00 49.88 C ATOM 430 CZ3 TRP A 36 8.147 -0.940 -16.882 1.00 49.88 C ATOM 431 CH2 TRP A 36 7.493 -0.462 -15.773 1.00 49.88 C ATOM 0 H TRP A 36 14.611 -0.436 -18.336 1.00 49.53 H new ATOM 0 HA TRP A 36 13.907 -0.887 -15.664 1.00 50.07 H new ATOM 0 HB2 TRP A 36 13.334 1.126 -17.000 1.00 49.82 H new ATOM 0 HB3 TRP A 36 12.255 0.168 -17.995 1.00 49.82 H new ATOM 0 HD1 TRP A 36 12.512 1.713 -14.488 1.00 50.03 H new ATOM 0 HE1 TRP A 36 10.184 1.722 -13.367 1.00 49.39 H new ATOM 0 HE3 TRP A 36 9.999 -1.065 -17.967 1.00 49.88 H new ATOM 0 HZ2 TRP A 36 7.637 0.670 -13.933 1.00 49.88 H new ATOM 0 HZ3 TRP A 36 7.601 -1.526 -17.607 1.00 49.88 H new ATOM 0 HH2 TRP A 36 6.443 -0.679 -15.646 1.00 49.88 H new ATOM 442 N GLU A 37 12.220 -2.679 -17.858 1.00 49.53 N ATOM 443 CA GLU A 37 11.338 -3.832 -18.002 1.00 50.07 C ATOM 444 C GLU A 37 11.962 -5.082 -17.396 1.00 50.51 C ATOM 445 O GLU A 37 11.307 -5.819 -16.659 1.00 49.49 O ATOM 446 CB GLU A 37 11.006 -4.072 -19.477 1.00 49.82 C ATOM 447 CG GLU A 37 10.094 -3.021 -20.096 1.00 49.72 C ATOM 448 CD GLU A 37 9.934 -3.240 -21.574 1.00 50.62 C ATOM 449 OE1 GLU A 37 10.578 -4.117 -22.099 1.00 49.24 O ATOM 450 OE2 GLU A 37 9.087 -2.606 -22.159 1.00 49.24 O ATOM 0 H GLU A 37 12.532 -2.274 -18.741 1.00 49.53 H new ATOM 0 HA GLU A 37 10.416 -3.616 -17.462 1.00 50.07 H new ATOM 0 HB2 GLU A 37 11.936 -4.108 -20.045 1.00 49.82 H new ATOM 0 HB3 GLU A 37 10.533 -5.049 -19.576 1.00 49.82 H new ATOM 0 HG2 GLU A 37 9.117 -3.054 -19.613 1.00 49.72 H new ATOM 0 HG3 GLU A 37 10.505 -2.028 -19.916 1.00 49.72 H new ATOM 457 N GLN A 38 13.231 -5.316 -17.711 1.00 49.53 N ATOM 458 CA GLN A 38 13.958 -6.456 -17.166 1.00 50.07 C ATOM 459 C GLN A 38 14.051 -6.377 -15.648 1.00 50.51 C ATOM 460 O GLN A 38 13.818 -7.363 -14.950 1.00 49.49 O ATOM 461 CB GLN A 38 15.363 -6.534 -17.767 1.00 49.82 C ATOM 462 CG GLN A 38 16.164 -7.747 -17.326 1.00 49.82 C ATOM 463 CD GLN A 38 15.546 -9.050 -17.797 1.00 50.55 C ATOM 464 OE1 GLN A 38 15.154 -9.182 -18.960 1.00 49.45 O ATOM 465 NE2 GLN A 38 15.453 -10.020 -16.895 1.00 49.38 N ATOM 0 H GLN A 38 13.778 -4.730 -18.342 1.00 49.53 H new ATOM 0 HA GLN A 38 13.405 -7.357 -17.431 1.00 50.07 H new ATOM 0 HB2 GLN A 38 15.281 -6.543 -18.854 1.00 49.82 H new ATOM 0 HB3 GLN A 38 15.912 -5.632 -17.496 1.00 49.82 H new ATOM 0 HG2 GLN A 38 17.180 -7.669 -17.713 1.00 49.82 H new ATOM 0 HG3 GLN A 38 16.237 -7.755 -16.239 1.00 49.82 H new ATOM 0 HE21 GLN A 38 15.790 -9.867 -15.945 1.00 49.38 H new ATOM 0 HE22 GLN A 38 15.044 -10.918 -17.153 1.00 49.38 H new ATOM 474 N ALA A 39 14.393 -5.197 -15.143 1.00 49.53 N ATOM 475 CA ALA A 39 14.503 -4.982 -13.705 1.00 50.07 C ATOM 476 C ALA A 39 13.210 -5.353 -12.992 1.00 50.51 C ATOM 477 O ALA A 39 13.230 -6.019 -11.956 1.00 49.49 O ATOM 478 CB ALA A 39 14.877 -3.535 -13.413 1.00 49.73 C ATOM 0 H ALA A 39 14.599 -4.374 -15.709 1.00 49.53 H new ATOM 0 HA ALA A 39 15.292 -5.632 -13.326 1.00 50.07 H new ATOM 0 HB1 ALA A 39 14.955 -3.390 -12.336 1.00 49.73 H new ATOM 0 HB2 ALA A 39 15.834 -3.305 -13.881 1.00 49.73 H new ATOM 0 HB3 ALA A 39 14.109 -2.873 -13.813 1.00 49.73 H new ATOM 484 N MET A 40 12.086 -4.921 -13.552 1.00 49.53 N ATOM 485 CA MET A 40 10.780 -5.211 -12.971 1.00 50.07 C ATOM 486 C MET A 40 10.482 -6.704 -13.005 1.00 50.51 C ATOM 487 O MET A 40 10.065 -7.287 -12.004 1.00 49.49 O ATOM 488 CB MET A 40 9.690 -4.437 -13.712 1.00 49.82 C ATOM 489 CG MET A 40 9.690 -2.939 -13.445 1.00 49.86 C ATOM 490 SD MET A 40 9.403 -2.542 -11.709 1.00 49.91 S ATOM 491 CE MET A 40 7.706 -3.075 -11.515 1.00 49.78 C ATOM 0 H MET A 40 12.053 -4.368 -14.409 1.00 49.53 H new ATOM 0 HA MET A 40 10.795 -4.894 -11.928 1.00 50.07 H new ATOM 0 HB2 MET A 40 9.808 -4.603 -14.783 1.00 49.82 H new ATOM 0 HB3 MET A 40 8.718 -4.844 -13.432 1.00 49.82 H new ATOM 0 HG2 MET A 40 10.646 -2.518 -13.756 1.00 49.86 H new ATOM 0 HG3 MET A 40 8.920 -2.465 -14.054 1.00 49.86 H new ATOM 0 HE1 MET A 40 7.292 -2.647 -10.602 1.00 49.78 H new ATOM 0 HE2 MET A 40 7.120 -2.741 -12.371 1.00 49.78 H new ATOM 0 HE3 MET A 40 7.671 -4.163 -11.454 1.00 49.78 H new ATOM 501 N LYS A 41 10.699 -7.319 -14.163 1.00 49.53 N ATOM 502 CA LYS A 41 10.418 -8.739 -14.339 1.00 50.07 C ATOM 503 C LYS A 41 11.187 -9.583 -13.331 1.00 50.51 C ATOM 504 O LYS A 41 10.700 -10.616 -12.871 1.00 49.49 O ATOM 505 CB LYS A 41 10.760 -9.180 -15.764 1.00 49.82 C ATOM 506 CG LYS A 41 9.780 -8.695 -16.824 1.00 49.82 C ATOM 507 CD LYS A 41 10.192 -9.162 -18.213 1.00 49.82 C ATOM 508 CE LYS A 41 9.204 -8.696 -19.271 1.00 50.21 C ATOM 509 NZ LYS A 41 9.572 -9.178 -20.629 1.00 49.70 N ATOM 0 H LYS A 41 11.069 -6.856 -14.993 1.00 49.53 H new ATOM 0 HA LYS A 41 9.352 -8.891 -14.167 1.00 50.07 H new ATOM 0 HB2 LYS A 41 11.757 -8.817 -16.015 1.00 49.82 H new ATOM 0 HB3 LYS A 41 10.800 -10.269 -15.795 1.00 49.82 H new ATOM 0 HG2 LYS A 41 8.781 -9.065 -16.595 1.00 49.82 H new ATOM 0 HG3 LYS A 41 9.729 -7.606 -16.804 1.00 49.82 H new ATOM 0 HD2 LYS A 41 11.185 -8.780 -18.447 1.00 49.82 H new ATOM 0 HD3 LYS A 41 10.257 -10.250 -18.228 1.00 49.82 H new ATOM 0 HE2 LYS A 41 8.206 -9.054 -19.018 1.00 50.21 H new ATOM 0 HE3 LYS A 41 9.161 -7.607 -19.272 1.00 50.21 H new ATOM 0 HZ1 LYS A 41 8.873 -8.838 -21.319 1.00 49.70 H new ATOM 0 HZ2 LYS A 41 10.513 -8.816 -20.883 1.00 49.70 H new ATOM 0 HZ3 LYS A 41 9.588 -10.218 -20.636 1.00 49.70 H new ATOM 523 N MET A 42 12.392 -9.137 -12.991 1.00 49.53 N ATOM 524 CA MET A 42 13.251 -9.875 -12.073 1.00 50.07 C ATOM 525 C MET A 42 12.653 -9.919 -10.673 1.00 50.51 C ATOM 526 O MET A 42 12.963 -10.811 -9.883 1.00 49.49 O ATOM 527 CB MET A 42 14.642 -9.248 -12.034 1.00 49.82 C ATOM 528 CG MET A 42 15.517 -9.578 -13.235 1.00 49.86 C ATOM 529 SD MET A 42 17.137 -8.788 -13.155 1.00 49.91 S ATOM 530 CE MET A 42 17.933 -9.777 -11.893 1.00 49.78 C ATOM 0 H MET A 42 12.796 -8.267 -13.338 1.00 49.53 H new ATOM 0 HA MET A 42 13.332 -10.899 -12.436 1.00 50.07 H new ATOM 0 HB2 MET A 42 14.537 -8.165 -11.964 1.00 49.82 H new ATOM 0 HB3 MET A 42 15.150 -9.578 -11.128 1.00 49.82 H new ATOM 0 HG2 MET A 42 15.647 -10.658 -13.299 1.00 49.86 H new ATOM 0 HG3 MET A 42 15.009 -9.264 -14.147 1.00 49.86 H new ATOM 0 HE1 MET A 42 18.171 -9.149 -11.035 1.00 49.78 H new ATOM 0 HE2 MET A 42 17.263 -10.578 -11.582 1.00 49.78 H new ATOM 0 HE3 MET A 42 18.851 -10.207 -12.293 1.00 49.78 H new ATOM 540 N ILE A 43 11.793 -8.951 -10.372 1.00 49.53 N ATOM 541 CA ILE A 43 11.178 -8.857 -9.053 1.00 50.07 C ATOM 542 C ILE A 43 9.690 -9.179 -9.115 1.00 50.51 C ATOM 543 O ILE A 43 9.049 -9.399 -8.088 1.00 49.49 O ATOM 544 CB ILE A 43 11.365 -7.456 -8.442 1.00 49.91 C ATOM 545 CG1 ILE A 43 10.682 -6.398 -9.313 1.00 49.82 C ATOM 546 CG2 ILE A 43 12.844 -7.141 -8.277 1.00 49.73 C ATOM 547 CD1 ILE A 43 10.604 -5.033 -8.666 1.00 49.73 C ATOM 0 H ILE A 43 11.506 -8.221 -11.024 1.00 49.53 H new ATOM 0 HA ILE A 43 11.679 -9.589 -8.420 1.00 50.07 H new ATOM 0 HB ILE A 43 10.900 -7.442 -7.456 1.00 49.91 H new ATOM 0 HG12 ILE A 43 11.222 -6.313 -10.256 1.00 49.82 H new ATOM 0 HG13 ILE A 43 9.673 -6.734 -9.553 1.00 49.82 H new ATOM 0 HG21 ILE A 43 12.958 -6.147 -7.844 1.00 49.73 H new ATOM 0 HG22 ILE A 43 13.302 -7.879 -7.618 1.00 49.73 H new ATOM 0 HG23 ILE A 43 13.333 -7.171 -9.251 1.00 49.73 H new ATOM 0 HD11 ILE A 43 10.108 -4.337 -9.343 1.00 49.73 H new ATOM 0 HD12 ILE A 43 10.037 -5.102 -7.737 1.00 49.73 H new ATOM 0 HD13 ILE A 43 11.611 -4.674 -8.451 1.00 49.73 H new ATOM 559 N ILE A 44 9.146 -9.205 -10.328 1.00 49.53 N ATOM 560 CA ILE A 44 7.761 -9.612 -10.536 1.00 50.07 C ATOM 561 C ILE A 44 7.586 -11.107 -10.308 1.00 50.51 C ATOM 562 O ILE A 44 6.542 -11.555 -9.833 1.00 49.49 O ATOM 563 CB ILE A 44 7.276 -9.258 -11.954 1.00 49.91 C ATOM 564 CG1 ILE A 44 7.047 -7.749 -12.079 1.00 49.82 C ATOM 565 CG2 ILE A 44 6.005 -10.022 -12.288 1.00 49.73 C ATOM 566 CD1 ILE A 44 6.868 -7.275 -13.503 1.00 49.73 C ATOM 0 H ILE A 44 9.643 -8.949 -11.181 1.00 49.53 H new ATOM 0 HA ILE A 44 7.160 -9.065 -9.809 1.00 50.07 H new ATOM 0 HB ILE A 44 8.048 -9.549 -12.667 1.00 49.91 H new ATOM 0 HG12 ILE A 44 6.164 -7.476 -11.501 1.00 49.82 H new ATOM 0 HG13 ILE A 44 7.893 -7.225 -11.635 1.00 49.82 H new ATOM 0 HG21 ILE A 44 5.676 -9.760 -13.294 1.00 49.73 H new ATOM 0 HG22 ILE A 44 6.201 -11.093 -12.238 1.00 49.73 H new ATOM 0 HG23 ILE A 44 5.225 -9.762 -11.572 1.00 49.73 H new ATOM 0 HD11 ILE A 44 6.711 -6.196 -13.510 1.00 49.73 H new ATOM 0 HD12 ILE A 44 7.760 -7.516 -14.081 1.00 49.73 H new ATOM 0 HD13 ILE A 44 6.004 -7.771 -13.946 1.00 49.73 H new ATOM 578 N ASN A 45 8.614 -11.877 -10.649 1.00 49.53 N ATOM 579 CA ASN A 45 8.612 -13.314 -10.396 1.00 50.07 C ATOM 580 C ASN A 45 8.683 -13.608 -8.902 1.00 50.51 C ATOM 581 O ASN A 45 8.348 -14.708 -8.461 1.00 49.49 O ATOM 582 CB ASN A 45 9.751 -14.005 -11.122 1.00 49.82 C ATOM 583 CG ASN A 45 9.552 -14.102 -12.609 1.00 50.55 C ATOM 584 OD1 ASN A 45 8.427 -13.999 -13.112 1.00 49.45 O ATOM 585 ND2 ASN A 45 10.624 -14.380 -13.305 1.00 49.38 N ATOM 0 H ASN A 45 9.460 -11.530 -11.102 1.00 49.53 H new ATOM 0 HA ASN A 45 7.673 -13.710 -10.782 1.00 50.07 H new ATOM 0 HB2 ASN A 45 10.677 -13.465 -10.923 1.00 49.82 H new ATOM 0 HB3 ASN A 45 9.873 -15.009 -10.715 1.00 49.82 H new ATOM 0 HD21 ASN A 45 10.555 -14.523 -14.313 1.00 49.38 H new ATOM 0 HD22 ASN A 45 11.529 -14.454 -12.840 1.00 49.38 H new ATOM 592 N ASP A 46 9.119 -12.620 -8.129 1.00 49.53 N ATOM 593 CA ASP A 46 9.181 -12.754 -6.678 1.00 50.07 C ATOM 594 C ASP A 46 7.798 -12.624 -6.054 1.00 50.51 C ATOM 595 O ASP A 46 7.170 -11.568 -6.127 1.00 49.49 O ATOM 596 CB ASP A 46 10.126 -11.707 -6.083 1.00 49.72 C ATOM 597 CG ASP A 46 10.354 -11.845 -4.584 1.00 50.62 C ATOM 598 OD1 ASP A 46 9.674 -12.631 -3.970 1.00 49.24 O ATOM 599 OD2 ASP A 46 11.305 -11.283 -4.094 1.00 49.24 O ATOM 0 H ASP A 46 9.435 -11.717 -8.483 1.00 49.53 H new ATOM 0 HA ASP A 46 9.566 -13.748 -6.451 1.00 50.07 H new ATOM 0 HB2 ASP A 46 11.088 -11.772 -6.592 1.00 49.72 H new ATOM 0 HB3 ASP A 46 9.724 -10.715 -6.287 1.00 49.72 H new ATOM 604 N PRO A 47 7.328 -13.705 -5.440 1.00 49.71 N ATOM 605 CA PRO A 47 5.999 -13.729 -4.843 1.00 50.02 C ATOM 606 C PRO A 47 5.813 -12.577 -3.863 1.00 50.51 C ATOM 607 O PRO A 47 4.688 -12.169 -3.576 1.00 49.49 O ATOM 608 CB PRO A 47 5.924 -15.098 -4.146 1.00 49.82 C ATOM 609 CG PRO A 47 6.882 -15.973 -4.908 1.00 49.82 C ATOM 610 CD PRO A 47 8.110 -14.902 -5.104 1.00 50.00 C ATOM 0 HA PRO A 47 5.205 -13.603 -5.579 1.00 50.02 H new ATOM 0 HB2 PRO A 47 6.207 -15.023 -3.096 1.00 49.82 H new ATOM 0 HB3 PRO A 47 4.912 -15.501 -4.175 1.00 49.82 H new ATOM 0 HG2 PRO A 47 7.181 -16.858 -4.347 1.00 49.82 H new ATOM 0 HG3 PRO A 47 6.471 -16.321 -5.856 1.00 49.82 H new ATOM 0 HD2 PRO A 47 8.705 -14.775 -4.199 1.00 50.00 H new ATOM 0 HD3 PRO A 47 8.797 -15.192 -5.899 1.00 50.00 H new ATOM 618 N ARG A 48 6.924 -12.056 -3.354 1.00 49.53 N ATOM 619 CA ARG A 48 6.889 -10.915 -2.447 1.00 50.07 C ATOM 620 C ARG A 48 6.322 -9.681 -3.136 1.00 50.51 C ATOM 621 O ARG A 48 5.568 -8.914 -2.537 1.00 49.49 O ATOM 622 CB ARG A 48 8.250 -10.631 -1.828 1.00 49.82 C ATOM 623 CG ARG A 48 8.741 -11.687 -0.851 1.00 49.82 C ATOM 624 CD ARG A 48 10.038 -11.365 -0.203 1.00 50.20 C ATOM 625 NE ARG A 48 10.534 -12.396 0.695 1.00 49.30 N ATOM 626 CZ ARG A 48 10.119 -12.567 1.966 1.00 50.64 C ATOM 627 NH1 ARG A 48 9.232 -11.761 2.503 1.00 49.20 N ATOM 628 NH2 ARG A 48 10.647 -13.555 2.667 1.00 49.20 N ATOM 0 H ARG A 48 7.861 -12.406 -3.554 1.00 49.53 H new ATOM 0 HA ARG A 48 6.219 -11.178 -1.628 1.00 50.07 H new ATOM 0 HB2 ARG A 48 8.983 -10.528 -2.628 1.00 49.82 H new ATOM 0 HB3 ARG A 48 8.205 -9.672 -1.312 1.00 49.82 H new ATOM 0 HG2 ARG A 48 7.987 -11.828 -0.077 1.00 49.82 H new ATOM 0 HG3 ARG A 48 8.837 -12.636 -1.378 1.00 49.82 H new ATOM 0 HD2 ARG A 48 10.783 -11.187 -0.978 1.00 50.20 H new ATOM 0 HD3 ARG A 48 9.930 -10.435 0.355 1.00 50.20 H new ATOM 0 HE ARG A 48 11.245 -13.034 0.338 1.00 49.30 H new ATOM 0 HH11 ARG A 48 8.846 -10.991 1.957 1.00 49.20 H new ATOM 0 HH12 ARG A 48 8.929 -11.905 3.466 1.00 49.20 H new ATOM 0 HH21 ARG A 48 11.348 -14.163 2.244 1.00 49.20 H new ATOM 0 HH22 ARG A 48 10.353 -13.710 3.631 1.00 49.20 H new ATOM 642 N TYR A 49 6.688 -9.494 -4.401 1.00 49.53 N ATOM 643 CA TYR A 49 6.170 -8.387 -5.193 1.00 50.07 C ATOM 644 C TYR A 49 4.664 -8.510 -5.393 1.00 50.51 C ATOM 645 O TYR A 49 3.916 -7.566 -5.141 1.00 49.49 O ATOM 646 CB TYR A 49 6.875 -8.322 -6.550 1.00 49.82 C ATOM 647 CG TYR A 49 6.336 -7.250 -7.471 1.00 50.00 C ATOM 648 CD1 TYR A 49 6.857 -5.965 -7.450 1.00 49.88 C ATOM 649 CD2 TYR A 49 5.309 -7.528 -8.361 1.00 49.88 C ATOM 650 CE1 TYR A 49 6.369 -4.982 -8.290 1.00 49.88 C ATOM 651 CE2 TYR A 49 4.813 -6.554 -9.204 1.00 49.88 C ATOM 652 CZ TYR A 49 5.346 -5.281 -9.166 1.00 50.11 C ATOM 653 OH TYR A 49 4.857 -4.306 -10.005 1.00 49.46 O ATOM 0 H TYR A 49 7.343 -10.097 -4.899 1.00 49.53 H new ATOM 0 HA TYR A 49 6.368 -7.465 -4.646 1.00 50.07 H new ATOM 0 HB2 TYR A 49 7.938 -8.146 -6.388 1.00 49.82 H new ATOM 0 HB3 TYR A 49 6.783 -9.290 -7.043 1.00 49.82 H new ATOM 0 HD1 TYR A 49 7.658 -5.728 -6.765 1.00 49.88 H new ATOM 0 HD2 TYR A 49 4.891 -8.523 -8.395 1.00 49.88 H new ATOM 0 HE1 TYR A 49 6.786 -3.986 -8.261 1.00 49.88 H new ATOM 0 HE2 TYR A 49 4.012 -6.787 -9.890 1.00 49.88 H new ATOM 0 HH TYR A 49 4.140 -4.680 -10.559 1.00 49.46 H new ATOM 663 N SER A 50 4.226 -9.679 -5.847 1.00 49.53 N ATOM 664 CA SER A 50 2.807 -9.935 -6.060 1.00 50.07 C ATOM 665 C SER A 50 2.002 -9.655 -4.796 1.00 50.51 C ATOM 666 O SER A 50 0.979 -8.971 -4.840 1.00 49.49 O ATOM 667 CB SER A 50 2.597 -11.367 -6.513 1.00 50.05 C ATOM 668 OG SER A 50 3.141 -11.602 -7.783 1.00 49.34 O ATOM 0 H SER A 50 4.835 -10.465 -6.075 1.00 49.53 H new ATOM 0 HA SER A 50 2.453 -9.261 -6.840 1.00 50.07 H new ATOM 0 HB2 SER A 50 3.053 -12.046 -5.792 1.00 50.05 H new ATOM 0 HB3 SER A 50 1.530 -11.589 -6.529 1.00 50.05 H new ATOM 0 HG SER A 50 2.986 -12.536 -8.037 1.00 49.34 H new ATOM 674 N ALA A 51 2.468 -10.190 -3.673 1.00 49.53 N ATOM 675 CA ALA A 51 1.812 -9.969 -2.391 1.00 50.07 C ATOM 676 C ALA A 51 1.775 -8.488 -2.036 1.00 50.51 C ATOM 677 O ALA A 51 0.745 -7.966 -1.611 1.00 49.49 O ATOM 678 CB ALA A 51 2.509 -10.763 -1.295 1.00 49.73 C ATOM 0 H ALA A 51 3.298 -10.780 -3.625 1.00 49.53 H new ATOM 0 HA ALA A 51 0.783 -10.317 -2.476 1.00 50.07 H new ATOM 0 HB1 ALA A 51 2.007 -10.587 -0.343 1.00 49.73 H new ATOM 0 HB2 ALA A 51 2.470 -11.826 -1.535 1.00 49.73 H new ATOM 0 HB3 ALA A 51 3.549 -10.445 -1.221 1.00 49.73 H new ATOM 684 N LEU A 52 2.908 -7.815 -2.214 1.00 49.53 N ATOM 685 CA LEU A 52 2.998 -6.383 -1.950 1.00 50.07 C ATOM 686 C LEU A 52 1.913 -5.616 -2.693 1.00 50.51 C ATOM 687 O LEU A 52 1.262 -4.737 -2.128 1.00 49.49 O ATOM 688 CB LEU A 52 4.385 -5.860 -2.339 1.00 49.82 C ATOM 689 CG LEU A 52 4.721 -4.455 -1.823 1.00 49.91 C ATOM 690 CD1 LEU A 52 6.196 -4.151 -2.054 1.00 49.73 C ATOM 691 CD2 LEU A 52 3.844 -3.430 -2.527 1.00 49.73 C ATOM 0 H LEU A 52 3.777 -8.239 -2.540 1.00 49.53 H new ATOM 0 HA LEU A 52 2.847 -6.225 -0.882 1.00 50.07 H new ATOM 0 HB2 LEU A 52 5.136 -6.556 -1.966 1.00 49.82 H new ATOM 0 HB3 LEU A 52 4.464 -5.859 -3.426 1.00 49.82 H new ATOM 0 HG LEU A 52 4.526 -4.407 -0.752 1.00 49.91 H new ATOM 0 HD11 LEU A 52 6.424 -3.151 -1.684 1.00 49.73 H new ATOM 0 HD12 LEU A 52 6.806 -4.882 -1.523 1.00 49.73 H new ATOM 0 HD13 LEU A 52 6.415 -4.202 -3.120 1.00 49.73 H new ATOM 0 HD21 LEU A 52 4.084 -2.432 -2.159 1.00 49.73 H new ATOM 0 HD22 LEU A 52 4.024 -3.474 -3.601 1.00 49.73 H new ATOM 0 HD23 LEU A 52 2.795 -3.649 -2.325 1.00 49.73 H new ATOM 703 N ALA A 53 1.723 -5.953 -3.965 1.00 49.53 N ATOM 704 CA ALA A 53 0.711 -5.300 -4.787 1.00 50.07 C ATOM 705 C ALA A 53 -0.692 -5.591 -4.270 1.00 50.51 C ATOM 706 O ALA A 53 -1.556 -4.715 -4.266 1.00 49.49 O ATOM 707 CB ALA A 53 0.846 -5.738 -6.239 1.00 49.73 C ATOM 0 H ALA A 53 2.257 -6.675 -4.449 1.00 49.53 H new ATOM 0 HA ALA A 53 0.872 -4.224 -4.728 1.00 50.07 H new ATOM 0 HB1 ALA A 53 0.084 -5.243 -6.841 1.00 49.73 H new ATOM 0 HB2 ALA A 53 1.834 -5.467 -6.610 1.00 49.73 H new ATOM 0 HB3 ALA A 53 0.716 -6.818 -6.307 1.00 49.73 H new ATOM 713 N LYS A 54 -0.911 -6.827 -3.833 1.00 49.53 N ATOM 714 CA LYS A 54 -2.213 -7.237 -3.318 1.00 50.07 C ATOM 715 C LYS A 54 -2.482 -6.620 -1.951 1.00 50.51 C ATOM 716 O LYS A 54 -3.634 -6.469 -1.545 1.00 49.49 O ATOM 717 CB LYS A 54 -2.299 -8.761 -3.233 1.00 49.82 C ATOM 718 CG LYS A 54 -2.339 -9.465 -4.582 1.00 49.82 C ATOM 719 CD LYS A 54 -2.376 -10.977 -4.417 1.00 49.82 C ATOM 720 CE LYS A 54 -2.444 -11.680 -5.765 1.00 50.21 C ATOM 721 NZ LYS A 54 -2.519 -13.159 -5.619 1.00 49.70 N ATOM 0 H LYS A 54 -0.204 -7.562 -3.825 1.00 49.53 H new ATOM 0 HA LYS A 54 -2.975 -6.878 -4.010 1.00 50.07 H new ATOM 0 HB2 LYS A 54 -1.442 -9.130 -2.670 1.00 49.82 H new ATOM 0 HB3 LYS A 54 -3.192 -9.031 -2.669 1.00 49.82 H new ATOM 0 HG2 LYS A 54 -3.216 -9.137 -5.140 1.00 49.82 H new ATOM 0 HG3 LYS A 54 -1.464 -9.182 -5.168 1.00 49.82 H new ATOM 0 HD2 LYS A 54 -1.489 -11.308 -3.877 1.00 49.82 H new ATOM 0 HD3 LYS A 54 -3.240 -11.258 -3.814 1.00 49.82 H new ATOM 0 HE2 LYS A 54 -3.315 -11.325 -6.315 1.00 50.21 H new ATOM 0 HE3 LYS A 54 -1.566 -11.418 -6.355 1.00 50.21 H new ATOM 0 HZ1 LYS A 54 -2.564 -13.599 -6.560 1.00 49.70 H new ATOM 0 HZ2 LYS A 54 -1.675 -13.501 -5.117 1.00 49.70 H new ATOM 0 HZ3 LYS A 54 -3.370 -13.412 -5.078 1.00 49.70 H new ATOM 735 N LEU A 55 -1.414 -6.266 -1.246 1.00 49.53 N ATOM 736 CA LEU A 55 -1.531 -5.715 0.100 1.00 50.07 C ATOM 737 C LEU A 55 -1.495 -4.192 0.077 1.00 50.51 C ATOM 738 O LEU A 55 -0.430 -3.589 -0.051 1.00 49.49 O ATOM 739 CB LEU A 55 -0.414 -6.262 0.995 1.00 49.82 C ATOM 740 CG LEU A 55 -0.424 -7.783 1.199 1.00 49.91 C ATOM 741 CD1 LEU A 55 0.883 -8.234 1.837 1.00 49.73 C ATOM 742 CD2 LEU A 55 -1.611 -8.171 2.068 1.00 49.73 C ATOM 0 H LEU A 55 -0.455 -6.351 -1.584 1.00 49.53 H new ATOM 0 HA LEU A 55 -2.494 -6.021 0.509 1.00 50.07 H new ATOM 0 HB2 LEU A 55 0.546 -5.976 0.566 1.00 49.82 H new ATOM 0 HB3 LEU A 55 -0.484 -5.780 1.970 1.00 49.82 H new ATOM 0 HG LEU A 55 -0.519 -8.279 0.233 1.00 49.91 H new ATOM 0 HD11 LEU A 55 0.865 -9.315 1.977 1.00 49.73 H new ATOM 0 HD12 LEU A 55 1.716 -7.966 1.188 1.00 49.73 H new ATOM 0 HD13 LEU A 55 1.004 -7.745 2.803 1.00 49.73 H new ATOM 0 HD21 LEU A 55 -1.618 -9.251 2.213 1.00 49.73 H new ATOM 0 HD22 LEU A 55 -1.531 -7.676 3.036 1.00 49.73 H new ATOM 0 HD23 LEU A 55 -2.536 -7.864 1.579 1.00 49.73 H new ATOM 754 N SER A 56 -2.666 -3.576 0.200 1.00 49.53 N ATOM 755 CA SER A 56 -2.782 -2.126 0.102 1.00 50.07 C ATOM 756 C SER A 56 -2.270 -1.445 1.364 1.00 50.51 C ATOM 757 O SER A 56 -1.948 -0.257 1.354 1.00 49.49 O ATOM 758 CB SER A 56 -4.222 -1.734 -0.163 1.00 50.05 C ATOM 759 OG SER A 56 -5.057 -2.035 0.922 1.00 49.34 O ATOM 0 H SER A 56 -3.549 -4.059 0.368 1.00 49.53 H new ATOM 0 HA SER A 56 -2.164 -1.792 -0.732 1.00 50.07 H new ATOM 0 HB2 SER A 56 -4.274 -0.666 -0.375 1.00 50.05 H new ATOM 0 HB3 SER A 56 -4.581 -2.253 -1.052 1.00 50.05 H new ATOM 0 HG SER A 56 -5.976 -1.766 0.712 1.00 49.34 H new ATOM 765 N GLU A 57 -2.197 -2.205 2.452 1.00 49.53 N ATOM 766 CA GLU A 57 -1.734 -1.673 3.728 1.00 50.07 C ATOM 767 C GLU A 57 -0.231 -1.428 3.711 1.00 50.51 C ATOM 768 O GLU A 57 0.535 -2.245 3.199 1.00 49.49 O ATOM 769 CB GLU A 57 -2.100 -2.625 4.869 1.00 49.82 C ATOM 770 CG GLU A 57 -3.589 -2.700 5.174 1.00 49.72 C ATOM 771 CD GLU A 57 -4.121 -1.367 5.624 1.00 50.62 C ATOM 772 OE1 GLU A 57 -3.594 -0.825 6.565 1.00 49.24 O ATOM 773 OE2 GLU A 57 -4.981 -0.838 4.959 1.00 49.24 O ATOM 0 H GLU A 57 -2.453 -3.192 2.475 1.00 49.53 H new ATOM 0 HA GLU A 57 -2.232 -0.717 3.891 1.00 50.07 H new ATOM 0 HB2 GLU A 57 -1.742 -3.624 4.621 1.00 49.82 H new ATOM 0 HB3 GLU A 57 -1.573 -2.312 5.770 1.00 49.82 H new ATOM 0 HG2 GLU A 57 -4.129 -3.028 4.286 1.00 49.72 H new ATOM 0 HG3 GLU A 57 -3.767 -3.446 5.949 1.00 49.72 H new ATOM 780 N LYS A 58 0.187 -0.300 4.274 1.00 49.53 N ATOM 781 CA LYS A 58 1.599 0.055 4.322 1.00 50.07 C ATOM 782 C LYS A 58 2.377 -0.900 5.219 1.00 50.51 C ATOM 783 O LYS A 58 3.584 -1.078 5.053 1.00 49.49 O ATOM 784 CB LYS A 58 1.774 1.494 4.811 1.00 49.82 C ATOM 785 CG LYS A 58 1.422 1.708 6.278 1.00 49.82 C ATOM 786 CD LYS A 58 1.624 3.158 6.689 1.00 49.82 C ATOM 787 CE LYS A 58 1.307 3.366 8.162 1.00 50.21 C ATOM 788 NZ LYS A 58 1.489 4.783 8.577 1.00 49.70 N ATOM 0 H LYS A 58 -0.434 0.385 4.704 1.00 49.53 H new ATOM 0 HA LYS A 58 1.997 -0.026 3.310 1.00 50.07 H new ATOM 0 HB2 LYS A 58 2.809 1.796 4.651 1.00 49.82 H new ATOM 0 HB3 LYS A 58 1.153 2.150 4.201 1.00 49.82 H new ATOM 0 HG2 LYS A 58 0.385 1.420 6.451 1.00 49.82 H new ATOM 0 HG3 LYS A 58 2.041 1.062 6.901 1.00 49.82 H new ATOM 0 HD2 LYS A 58 2.654 3.454 6.492 1.00 49.82 H new ATOM 0 HD3 LYS A 58 0.986 3.802 6.083 1.00 49.82 H new ATOM 0 HE2 LYS A 58 0.279 3.060 8.358 1.00 50.21 H new ATOM 0 HE3 LYS A 58 1.951 2.726 8.765 1.00 50.21 H new ATOM 0 HZ1 LYS A 58 1.263 4.881 9.587 1.00 49.70 H new ATOM 0 HZ2 LYS A 58 2.476 5.068 8.414 1.00 49.70 H new ATOM 0 HZ3 LYS A 58 0.856 5.392 8.020 1.00 49.70 H new ATOM 802 N LYS A 59 1.679 -1.511 6.169 1.00 49.53 N ATOM 803 CA LYS A 59 2.309 -2.422 7.118 1.00 50.07 C ATOM 804 C LYS A 59 2.409 -3.830 6.547 1.00 50.51 C ATOM 805 O LYS A 59 3.404 -4.525 6.755 1.00 49.49 O ATOM 806 CB LYS A 59 1.534 -2.443 8.436 1.00 49.82 C ATOM 807 CG LYS A 59 1.557 -1.127 9.202 1.00 49.82 C ATOM 808 CD LYS A 59 0.802 -1.238 10.517 1.00 49.82 C ATOM 809 CE LYS A 59 0.812 0.081 11.276 1.00 50.21 C ATOM 810 NZ LYS A 59 0.026 0.004 12.537 1.00 49.70 N ATOM 0 H LYS A 59 0.675 -1.392 6.303 1.00 49.53 H new ATOM 0 HA LYS A 59 3.319 -2.059 7.307 1.00 50.07 H new ATOM 0 HB2 LYS A 59 0.498 -2.711 8.230 1.00 49.82 H new ATOM 0 HB3 LYS A 59 1.945 -3.227 9.072 1.00 49.82 H new ATOM 0 HG2 LYS A 59 2.589 -0.835 9.397 1.00 49.82 H new ATOM 0 HG3 LYS A 59 1.113 -0.341 8.591 1.00 49.82 H new ATOM 0 HD2 LYS A 59 -0.227 -1.540 10.323 1.00 49.82 H new ATOM 0 HD3 LYS A 59 1.252 -2.017 11.132 1.00 49.82 H new ATOM 0 HE2 LYS A 59 1.840 0.359 11.506 1.00 50.21 H new ATOM 0 HE3 LYS A 59 0.404 0.868 10.642 1.00 50.21 H new ATOM 0 HZ1 LYS A 59 0.059 0.923 13.023 1.00 49.70 H new ATOM 0 HZ2 LYS A 59 -0.962 -0.236 12.316 1.00 49.70 H new ATOM 0 HZ3 LYS A 59 0.431 -0.729 13.154 1.00 49.70 H new ATOM 824 N GLN A 60 1.375 -4.246 5.825 1.00 49.53 N ATOM 825 CA GLN A 60 1.358 -5.560 5.195 1.00 50.07 C ATOM 826 C GLN A 60 2.279 -5.601 3.982 1.00 50.51 C ATOM 827 O GLN A 60 2.978 -6.589 3.754 1.00 49.49 O ATOM 828 CB GLN A 60 -0.065 -5.937 4.776 1.00 49.82 C ATOM 829 CG GLN A 60 -1.036 -6.086 5.934 1.00 49.82 C ATOM 830 CD GLN A 60 -0.616 -7.173 6.906 1.00 50.55 C ATOM 831 OE1 GLN A 60 -0.275 -8.287 6.501 1.00 49.45 O ATOM 832 NE2 GLN A 60 -0.643 -6.855 8.195 1.00 49.38 N ATOM 0 H GLN A 60 0.535 -3.690 5.661 1.00 49.53 H new ATOM 0 HA GLN A 60 1.718 -6.282 5.928 1.00 50.07 H new ATOM 0 HB2 GLN A 60 -0.444 -5.176 4.094 1.00 49.82 H new ATOM 0 HB3 GLN A 60 -0.032 -6.875 4.221 1.00 49.82 H new ATOM 0 HG2 GLN A 60 -1.112 -5.137 6.465 1.00 49.82 H new ATOM 0 HG3 GLN A 60 -2.028 -6.314 5.545 1.00 49.82 H new ATOM 0 HE21 GLN A 60 -0.932 -5.920 8.484 1.00 49.38 H new ATOM 0 HE22 GLN A 60 -0.375 -7.545 8.896 1.00 49.38 H new ATOM 841 N ALA A 61 2.276 -4.522 3.206 1.00 49.53 N ATOM 842 CA ALA A 61 3.177 -4.395 2.067 1.00 50.07 C ATOM 843 C ALA A 61 4.633 -4.374 2.516 1.00 50.51 C ATOM 844 O ALA A 61 5.516 -4.863 1.812 1.00 49.49 O ATOM 845 CB ALA A 61 2.846 -3.143 1.268 1.00 49.73 C ATOM 0 H ALA A 61 1.659 -3.722 3.346 1.00 49.53 H new ATOM 0 HA ALA A 61 3.038 -5.266 1.427 1.00 50.07 H new ATOM 0 HB1 ALA A 61 3.527 -3.061 0.421 1.00 49.73 H new ATOM 0 HB2 ALA A 61 1.820 -3.204 0.905 1.00 49.73 H new ATOM 0 HB3 ALA A 61 2.953 -2.265 1.906 1.00 49.73 H new ATOM 851 N PHE A 62 4.875 -3.803 3.691 1.00 49.53 N ATOM 852 CA PHE A 62 6.199 -3.841 4.302 1.00 50.07 C ATOM 853 C PHE A 62 6.592 -5.265 4.676 1.00 50.51 C ATOM 854 O PHE A 62 7.682 -5.727 4.339 1.00 49.49 O ATOM 855 CB PHE A 62 6.243 -2.941 5.538 1.00 49.82 C ATOM 856 CG PHE A 62 7.550 -2.991 6.277 1.00 50.00 C ATOM 857 CD1 PHE A 62 8.658 -2.304 5.802 1.00 49.88 C ATOM 858 CD2 PHE A 62 7.675 -3.724 7.447 1.00 49.88 C ATOM 859 CE1 PHE A 62 9.861 -2.349 6.482 1.00 49.88 C ATOM 860 CE2 PHE A 62 8.875 -3.769 8.129 1.00 49.88 C ATOM 861 CZ PHE A 62 9.970 -3.081 7.645 1.00 49.88 C ATOM 0 H PHE A 62 4.172 -3.308 4.240 1.00 49.53 H new ATOM 0 HA PHE A 62 6.916 -3.471 3.569 1.00 50.07 H new ATOM 0 HB2 PHE A 62 6.047 -1.913 5.235 1.00 49.82 H new ATOM 0 HB3 PHE A 62 5.441 -3.232 6.217 1.00 49.82 H new ATOM 0 HD1 PHE A 62 8.580 -1.728 4.892 1.00 49.88 H new ATOM 0 HD2 PHE A 62 6.823 -4.267 7.830 1.00 49.88 H new ATOM 0 HE1 PHE A 62 10.716 -1.810 6.102 1.00 49.88 H new ATOM 0 HE2 PHE A 62 8.957 -4.342 9.041 1.00 49.88 H new ATOM 0 HZ PHE A 62 10.910 -3.116 8.176 1.00 49.88 H new ATOM 871 N ASN A 63 5.697 -5.956 5.373 1.00 49.53 N ATOM 872 CA ASN A 63 5.959 -7.321 5.815 1.00 50.07 C ATOM 873 C ASN A 63 6.145 -8.258 4.629 1.00 50.51 C ATOM 874 O ASN A 63 6.813 -9.287 4.737 1.00 49.49 O ATOM 875 CB ASN A 63 4.852 -7.833 6.720 1.00 49.82 C ATOM 876 CG ASN A 63 4.866 -7.225 8.095 1.00 50.55 C ATOM 877 OD1 ASN A 63 5.883 -6.691 8.550 1.00 49.45 O ATOM 878 ND2 ASN A 63 3.766 -7.376 8.789 1.00 49.38 N ATOM 0 H ASN A 63 4.783 -5.593 5.644 1.00 49.53 H new ATOM 0 HA ASN A 63 6.886 -7.302 6.388 1.00 50.07 H new ATOM 0 HB2 ASN A 63 3.889 -7.629 6.252 1.00 49.82 H new ATOM 0 HB3 ASN A 63 4.940 -8.916 6.810 1.00 49.82 H new ATOM 0 HD21 ASN A 63 3.722 -7.045 9.753 1.00 49.38 H new ATOM 0 HD22 ASN A 63 2.953 -7.824 8.366 1.00 49.38 H new ATOM 885 N ALA A 64 5.551 -7.896 3.497 1.00 49.53 N ATOM 886 CA ALA A 64 5.717 -8.661 2.267 1.00 50.07 C ATOM 887 C ALA A 64 7.188 -8.778 1.885 1.00 50.51 C ATOM 888 O ALA A 64 7.601 -9.754 1.261 1.00 49.49 O ATOM 889 CB ALA A 64 4.922 -8.024 1.136 1.00 49.73 C ATOM 0 H ALA A 64 4.950 -7.077 3.406 1.00 49.53 H new ATOM 0 HA ALA A 64 5.335 -9.667 2.441 1.00 50.07 H new ATOM 0 HB1 ALA A 64 5.056 -8.606 0.224 1.00 49.73 H new ATOM 0 HB2 ALA A 64 3.865 -8.003 1.401 1.00 49.73 H new ATOM 0 HB3 ALA A 64 5.275 -7.006 0.971 1.00 49.73 H new ATOM 895 N TYR A 65 7.974 -7.776 2.264 1.00 49.53 N ATOM 896 CA TYR A 65 9.407 -7.785 2.002 1.00 50.07 C ATOM 897 C TYR A 65 10.182 -8.339 3.191 1.00 50.51 C ATOM 898 O TYR A 65 11.106 -9.136 3.025 1.00 49.49 O ATOM 899 CB TYR A 65 9.900 -6.376 1.666 1.00 49.82 C ATOM 900 CG TYR A 65 11.393 -6.285 1.439 1.00 50.00 C ATOM 901 CD1 TYR A 65 11.970 -6.789 0.282 1.00 49.88 C ATOM 902 CD2 TYR A 65 12.221 -5.694 2.381 1.00 49.88 C ATOM 903 CE1 TYR A 65 13.332 -6.710 0.071 1.00 49.88 C ATOM 904 CE2 TYR A 65 13.585 -5.608 2.180 1.00 49.88 C ATOM 905 CZ TYR A 65 14.137 -6.117 1.023 1.00 50.11 C ATOM 906 OH TYR A 65 15.495 -6.034 0.816 1.00 49.46 O ATOM 0 H TYR A 65 7.641 -6.946 2.755 1.00 49.53 H new ATOM 0 HA TYR A 65 9.584 -8.436 1.146 1.00 50.07 H new ATOM 0 HB2 TYR A 65 9.385 -6.025 0.772 1.00 49.82 H new ATOM 0 HB3 TYR A 65 9.624 -5.702 2.477 1.00 49.82 H new ATOM 0 HD1 TYR A 65 11.343 -7.251 -0.466 1.00 49.88 H new ATOM 0 HD2 TYR A 65 11.792 -5.294 3.288 1.00 49.88 H new ATOM 0 HE1 TYR A 65 13.765 -7.110 -0.834 1.00 49.88 H new ATOM 0 HE2 TYR A 65 14.216 -5.145 2.925 1.00 49.88 H new ATOM 0 HH TYR A 65 15.916 -5.588 1.580 1.00 49.46 H new ATOM 916 N LYS A 66 9.799 -7.913 4.390 1.00 49.53 N ATOM 917 CA LYS A 66 10.467 -8.354 5.608 1.00 50.07 C ATOM 918 C LYS A 66 10.275 -9.848 5.832 1.00 50.51 C ATOM 919 O LYS A 66 10.768 -10.407 6.813 1.00 49.49 O ATOM 920 CB LYS A 66 9.949 -7.571 6.816 1.00 49.82 C ATOM 921 CG LYS A 66 10.644 -7.907 8.129 1.00 49.82 C ATOM 922 CD LYS A 66 10.139 -7.028 9.264 1.00 49.82 C ATOM 923 CE LYS A 66 10.831 -7.364 10.576 1.00 50.21 C ATOM 924 NZ LYS A 66 10.352 -6.507 11.694 1.00 49.70 N ATOM 0 H LYS A 66 9.029 -7.262 4.544 1.00 49.53 H new ATOM 0 HA LYS A 66 11.533 -8.161 5.491 1.00 50.07 H new ATOM 0 HB2 LYS A 66 10.065 -6.505 6.620 1.00 49.82 H new ATOM 0 HB3 LYS A 66 8.881 -7.760 6.925 1.00 49.82 H new ATOM 0 HG2 LYS A 66 10.474 -8.955 8.375 1.00 49.82 H new ATOM 0 HG3 LYS A 66 11.720 -7.777 8.017 1.00 49.82 H new ATOM 0 HD2 LYS A 66 10.310 -5.980 9.018 1.00 49.82 H new ATOM 0 HD3 LYS A 66 9.062 -7.157 9.375 1.00 49.82 H new ATOM 0 HE2 LYS A 66 10.655 -8.411 10.821 1.00 50.21 H new ATOM 0 HE3 LYS A 66 11.908 -7.240 10.460 1.00 50.21 H new ATOM 0 HZ1 LYS A 66 10.849 -6.769 12.569 1.00 49.70 H new ATOM 0 HZ2 LYS A 66 10.543 -5.509 11.473 1.00 49.70 H new ATOM 0 HZ3 LYS A 66 9.329 -6.644 11.822 1.00 49.70 H new TER 938 LYS A 66