USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 577 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 59 MET CE :methyl -162:sc= -2.73! (180deg=-3.55!) USER MOD Set 1.2: A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 43 LYS NZ :NH3+ -135:sc= 0.0645 (180deg=0) USER MOD Set 3.2: A 50 GLN :FLIP amide:sc= -2.84! F(o=-3.9,f=-2.8!) USER MOD Set 4.1: A 29 SER OG : rot -23:sc= 0.207 USER MOD Set 4.2: A 32 HIS : no HD1:sc= 0 X(o=0.21,f=0.15) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0117 (180deg=-0.0117) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0186 USER MOD Single : A 3 MET CE :methyl -114:sc= -0.011 (180deg=-0.263) USER MOD Single : A 6 LYS NZ :NH3+ -119:sc= -3.36! (180deg=-7.1!) USER MOD Single : A 10 CYS SG : rot 96:sc= -1.37 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 26 SER OG : rot -170:sc= 0.0845 USER MOD Single : A 37 TYR OH : rot 60:sc= -0.858 USER MOD Single : A 38 TYR OH : rot -3:sc= 0.649 USER MOD Single : A 39 SER OG : rot -103:sc= -0.51 USER MOD Single : A 41 SER OG : rot 37:sc= 0.946 USER MOD Single : A 44 LYS NZ :NH3+ -134:sc= -1.53 (180deg=-4.23!) USER MOD Single : A 47 SER OG : rot -179:sc= -0.977 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -119:sc= 0.584 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0161 USER MOD Single : A 70 LYS NZ :NH3+ 149:sc= -1.7! (180deg=-1.97!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.939 11.911 -2.829 1.00 0.00 N ATOM 2 CA GLY A 1 -20.148 12.841 -4.022 1.00 0.00 C ATOM 3 C GLY A 1 -19.121 12.895 -5.100 1.00 0.00 C ATOM 4 O GLY A 1 -19.268 13.602 -6.078 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.744 11.997 -2.176 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.867 10.929 -3.163 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.063 12.173 -2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.095 12.568 -4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.265 13.852 -3.631 1.00 0.00 H new ATOM 10 N SER A 2 -18.057 12.154 -4.955 1.00 0.00 N ATOM 11 CA SER A 2 -16.996 12.160 -6.002 1.00 0.00 C ATOM 12 C SER A 2 -16.333 10.782 -6.064 1.00 0.00 C ATOM 13 O SER A 2 -16.901 9.791 -5.654 1.00 0.00 O ATOM 14 CB SER A 2 -15.946 13.217 -5.656 1.00 0.00 C ATOM 15 OG SER A 2 -15.154 12.754 -4.571 1.00 0.00 O ATOM 0 H SER A 2 -17.876 11.545 -4.157 1.00 0.00 H new ATOM 0 HA SER A 2 -17.440 12.392 -6.970 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.315 13.417 -6.522 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.432 14.156 -5.392 1.00 0.00 H new ATOM 0 HG SER A 2 -14.479 13.428 -4.348 1.00 0.00 H new ATOM 21 N MET A 3 -15.132 10.715 -6.572 1.00 0.00 N ATOM 22 CA MET A 3 -14.432 9.402 -6.657 1.00 0.00 C ATOM 23 C MET A 3 -13.988 8.970 -5.258 1.00 0.00 C ATOM 24 O MET A 3 -13.003 9.452 -4.733 1.00 0.00 O ATOM 25 CB MET A 3 -13.206 9.534 -7.564 1.00 0.00 C ATOM 26 CG MET A 3 -13.660 9.815 -8.998 1.00 0.00 C ATOM 27 SD MET A 3 -12.209 10.020 -10.060 1.00 0.00 S ATOM 28 CE MET A 3 -11.828 11.728 -9.600 1.00 0.00 C ATOM 0 H MET A 3 -14.606 11.512 -6.931 1.00 0.00 H new ATOM 0 HA MET A 3 -15.110 8.655 -7.070 1.00 0.00 H new ATOM 0 HB2 MET A 3 -12.564 10.340 -7.210 1.00 0.00 H new ATOM 0 HB3 MET A 3 -12.616 8.618 -7.531 1.00 0.00 H new ATOM 0 HG2 MET A 3 -14.278 8.995 -9.363 1.00 0.00 H new ATOM 0 HG3 MET A 3 -14.275 10.714 -9.027 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.976 12.379 -10.462 1.00 0.00 H new ATOM 0 HE2 MET A 3 -12.487 12.042 -8.790 1.00 0.00 H new ATOM 0 HE3 MET A 3 -10.791 11.793 -9.270 1.00 0.00 H new ATOM 38 N GLU A 4 -14.705 8.066 -4.650 1.00 0.00 N ATOM 39 CA GLU A 4 -14.319 7.600 -3.288 1.00 0.00 C ATOM 40 C GLU A 4 -13.510 6.306 -3.401 1.00 0.00 C ATOM 41 O GLU A 4 -13.486 5.665 -4.434 1.00 0.00 O ATOM 42 CB GLU A 4 -15.580 7.342 -2.461 1.00 0.00 C ATOM 43 CG GLU A 4 -16.283 8.670 -2.173 1.00 0.00 C ATOM 44 CD GLU A 4 -17.554 8.410 -1.364 1.00 0.00 C ATOM 45 OE1 GLU A 4 -17.788 7.264 -1.017 1.00 0.00 O ATOM 46 OE2 GLU A 4 -18.273 9.362 -1.105 1.00 0.00 O ATOM 0 H GLU A 4 -15.542 7.630 -5.037 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.714 8.365 -2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.251 6.673 -3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.319 6.846 -1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.617 9.334 -1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.531 9.173 -3.108 1.00 0.00 H new ATOM 53 N ARG A 5 -12.845 5.916 -2.348 1.00 0.00 N ATOM 54 CA ARG A 5 -12.051 4.656 -2.393 1.00 0.00 C ATOM 55 C ARG A 5 -11.523 4.437 -3.812 1.00 0.00 C ATOM 56 O ARG A 5 -12.203 3.892 -4.660 1.00 0.00 O ATOM 57 CB ARG A 5 -12.941 3.479 -1.990 1.00 0.00 C ATOM 58 CG ARG A 5 -14.380 3.753 -2.428 1.00 0.00 C ATOM 59 CD ARG A 5 -15.266 2.566 -2.042 1.00 0.00 C ATOM 60 NE ARG A 5 -15.350 2.471 -0.558 1.00 0.00 N ATOM 61 CZ ARG A 5 -15.982 1.473 -0.002 1.00 0.00 C ATOM 62 NH1 ARG A 5 -16.540 0.558 -0.749 1.00 0.00 N ATOM 63 NH2 ARG A 5 -16.055 1.390 1.298 1.00 0.00 N ATOM 0 H ARG A 5 -12.817 6.415 -1.459 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.212 4.729 -1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.578 2.561 -2.451 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.900 3.331 -0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -14.748 4.664 -1.956 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.419 3.914 -3.505 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -16.262 2.689 -2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -14.856 1.644 -2.454 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.914 3.186 0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -16.482 0.624 -1.765 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -17.034 -0.222 -0.316 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.618 2.105 1.880 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -16.549 0.610 1.732 1.00 0.00 H new ATOM 77 N LYS A 6 -10.315 4.855 -4.077 1.00 0.00 N ATOM 78 CA LYS A 6 -9.745 4.669 -5.441 1.00 0.00 C ATOM 79 C LYS A 6 -8.469 3.828 -5.352 1.00 0.00 C ATOM 80 O LYS A 6 -7.538 4.170 -4.649 1.00 0.00 O ATOM 81 CB LYS A 6 -9.415 6.034 -6.046 1.00 0.00 C ATOM 82 CG LYS A 6 -9.159 7.042 -4.924 1.00 0.00 C ATOM 83 CD LYS A 6 -10.476 7.710 -4.524 1.00 0.00 C ATOM 84 CE LYS A 6 -10.192 8.870 -3.570 1.00 0.00 C ATOM 85 NZ LYS A 6 -9.587 8.344 -2.315 1.00 0.00 N ATOM 0 H LYS A 6 -9.699 5.317 -3.408 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.473 4.158 -6.072 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.537 5.957 -6.687 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.239 6.374 -6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.718 6.539 -4.063 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.443 7.795 -5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.995 8.074 -5.411 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.133 6.984 -4.045 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.516 9.585 -4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.115 9.404 -3.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.203 8.575 -1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.483 7.312 -2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.653 8.777 -2.172 1.00 0.00 H new ATOM 99 N ARG A 7 -8.418 2.731 -6.056 1.00 0.00 N ATOM 100 CA ARG A 7 -7.209 1.864 -5.998 1.00 0.00 C ATOM 101 C ARG A 7 -6.340 2.117 -7.230 1.00 0.00 C ATOM 102 O ARG A 7 -6.682 1.736 -8.333 1.00 0.00 O ATOM 103 CB ARG A 7 -7.637 0.395 -5.967 1.00 0.00 C ATOM 104 CG ARG A 7 -8.456 0.127 -4.705 1.00 0.00 C ATOM 105 CD ARG A 7 -8.928 -1.329 -4.699 1.00 0.00 C ATOM 106 NE ARG A 7 -7.753 -2.232 -4.536 1.00 0.00 N ATOM 107 CZ ARG A 7 -7.908 -3.524 -4.621 1.00 0.00 C ATOM 108 NH1 ARG A 7 -9.091 -4.026 -4.849 1.00 0.00 N ATOM 109 NH2 ARG A 7 -6.880 -4.315 -4.477 1.00 0.00 N ATOM 0 H ARG A 7 -9.162 2.398 -6.669 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.638 2.095 -5.099 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.227 0.159 -6.853 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.759 -0.251 -5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.854 0.328 -3.819 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.314 0.798 -4.667 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.638 -1.489 -3.888 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.449 -1.557 -5.629 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.828 -1.840 -4.358 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.894 -3.408 -4.961 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.212 -5.037 -4.915 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.956 -3.923 -4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.001 -5.326 -4.543 1.00 0.00 H new ATOM 123 N TRP A 8 -5.217 2.757 -7.054 1.00 0.00 N ATOM 124 CA TRP A 8 -4.314 3.012 -8.213 1.00 0.00 C ATOM 125 C TRP A 8 -3.122 2.055 -8.151 1.00 0.00 C ATOM 126 O TRP A 8 -2.913 1.372 -7.167 1.00 0.00 O ATOM 127 CB TRP A 8 -3.813 4.455 -8.161 1.00 0.00 C ATOM 128 CG TRP A 8 -4.979 5.390 -8.205 1.00 0.00 C ATOM 129 CD1 TRP A 8 -6.072 5.232 -8.986 1.00 0.00 C ATOM 130 CD2 TRP A 8 -5.187 6.621 -7.454 1.00 0.00 C ATOM 131 NE1 TRP A 8 -6.939 6.286 -8.762 1.00 0.00 N ATOM 132 CE2 TRP A 8 -6.438 7.170 -7.826 1.00 0.00 C ATOM 133 CE3 TRP A 8 -4.420 7.307 -6.496 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -6.911 8.357 -7.266 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -4.894 8.503 -5.931 1.00 0.00 C ATOM 136 CH2 TRP A 8 -6.136 9.027 -6.315 1.00 0.00 C ATOM 0 H TRP A 8 -4.885 3.115 -6.158 1.00 0.00 H new ATOM 0 HA TRP A 8 -4.861 2.851 -9.142 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.237 4.618 -7.250 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.145 4.650 -9.000 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -6.240 4.416 -9.673 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -7.838 6.397 -9.230 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.461 6.913 -6.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -7.869 8.755 -7.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.297 9.022 -5.196 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -6.494 9.947 -5.877 1.00 0.00 H new ATOM 147 N GLU A 9 -2.339 1.997 -9.193 1.00 0.00 N ATOM 148 CA GLU A 9 -1.166 1.078 -9.195 1.00 0.00 C ATOM 149 C GLU A 9 0.048 1.802 -8.610 1.00 0.00 C ATOM 150 O GLU A 9 0.217 2.993 -8.784 1.00 0.00 O ATOM 151 CB GLU A 9 -0.861 0.646 -10.630 1.00 0.00 C ATOM 152 CG GLU A 9 0.278 -0.376 -10.624 1.00 0.00 C ATOM 153 CD GLU A 9 0.590 -0.801 -12.059 1.00 0.00 C ATOM 154 OE1 GLU A 9 0.093 -0.159 -12.969 1.00 0.00 O ATOM 155 OE2 GLU A 9 1.322 -1.764 -12.225 1.00 0.00 O ATOM 0 H GLU A 9 -2.461 2.547 -10.044 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.390 0.199 -8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.750 0.213 -11.087 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.584 1.512 -11.231 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.165 0.055 -10.160 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.002 -1.245 -10.029 1.00 0.00 H new ATOM 162 N CYS A 10 0.898 1.091 -7.919 1.00 0.00 N ATOM 163 CA CYS A 10 2.101 1.737 -7.326 1.00 0.00 C ATOM 164 C CYS A 10 3.363 1.059 -7.865 1.00 0.00 C ATOM 165 O CYS A 10 3.746 -0.002 -7.417 1.00 0.00 O ATOM 166 CB CYS A 10 2.057 1.597 -5.803 1.00 0.00 C ATOM 167 SG CYS A 10 3.306 2.677 -5.061 1.00 0.00 S ATOM 0 H CYS A 10 0.810 0.091 -7.740 1.00 0.00 H new ATOM 0 HA CYS A 10 2.114 2.794 -7.593 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.067 1.860 -5.431 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.240 0.561 -5.517 1.00 0.00 H new ATOM 0 HG CYS A 10 2.755 3.801 -4.711 1.00 0.00 H new ATOM 173 N PRO A 11 4.000 1.675 -8.822 1.00 0.00 N ATOM 174 CA PRO A 11 5.240 1.134 -9.447 1.00 0.00 C ATOM 175 C PRO A 11 6.312 0.793 -8.407 1.00 0.00 C ATOM 176 O PRO A 11 6.993 -0.208 -8.508 1.00 0.00 O ATOM 177 CB PRO A 11 5.719 2.269 -10.353 1.00 0.00 C ATOM 178 CG PRO A 11 4.501 3.082 -10.649 1.00 0.00 C ATOM 179 CD PRO A 11 3.602 2.962 -9.415 1.00 0.00 C ATOM 0 HA PRO A 11 5.049 0.203 -9.981 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.482 2.870 -9.859 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.163 1.880 -11.269 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.764 4.122 -10.840 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.992 2.713 -11.539 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.759 3.789 -8.722 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.546 2.970 -9.686 1.00 0.00 H new ATOM 187 N ALA A 12 6.465 1.618 -7.408 1.00 0.00 N ATOM 188 CA ALA A 12 7.496 1.344 -6.367 1.00 0.00 C ATOM 189 C ALA A 12 7.252 -0.038 -5.757 1.00 0.00 C ATOM 190 O ALA A 12 8.167 -0.700 -5.310 1.00 0.00 O ATOM 191 CB ALA A 12 7.410 2.408 -5.271 1.00 0.00 C ATOM 0 H ALA A 12 5.921 2.469 -7.267 1.00 0.00 H new ATOM 0 HA ALA A 12 8.486 1.370 -6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.164 2.208 -4.510 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.585 3.392 -5.705 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.420 2.383 -4.816 1.00 0.00 H new ATOM 197 N LEU A 13 6.023 -0.478 -5.736 1.00 0.00 N ATOM 198 CA LEU A 13 5.722 -1.814 -5.150 1.00 0.00 C ATOM 199 C LEU A 13 5.775 -2.877 -6.251 1.00 0.00 C ATOM 200 O LEU A 13 5.519 -2.600 -7.405 1.00 0.00 O ATOM 201 CB LEU A 13 4.323 -1.795 -4.529 1.00 0.00 C ATOM 202 CG LEU A 13 4.172 -0.554 -3.649 1.00 0.00 C ATOM 203 CD1 LEU A 13 2.900 -0.673 -2.808 1.00 0.00 C ATOM 204 CD2 LEU A 13 5.385 -0.437 -2.722 1.00 0.00 C ATOM 0 H LEU A 13 5.216 0.030 -6.099 1.00 0.00 H new ATOM 0 HA LEU A 13 6.459 -2.048 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.566 -1.792 -5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.165 -2.696 -3.936 1.00 0.00 H new ATOM 0 HG LEU A 13 4.107 0.332 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.794 0.213 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.035 -0.757 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.963 -1.559 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.279 0.447 -2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.448 -1.324 -2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.293 -0.351 -3.319 1.00 0.00 H new ATOM 216 N PRO A 14 6.107 -4.086 -5.887 1.00 0.00 N ATOM 217 CA PRO A 14 6.179 -5.225 -6.845 1.00 0.00 C ATOM 218 C PRO A 14 4.905 -5.358 -7.685 1.00 0.00 C ATOM 219 O PRO A 14 3.838 -4.939 -7.282 1.00 0.00 O ATOM 220 CB PRO A 14 6.354 -6.450 -5.946 1.00 0.00 C ATOM 221 CG PRO A 14 6.938 -5.929 -4.674 1.00 0.00 C ATOM 222 CD PRO A 14 6.448 -4.496 -4.517 1.00 0.00 C ATOM 0 HA PRO A 14 6.987 -5.095 -7.565 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.400 -6.945 -5.766 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.012 -7.186 -6.408 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.625 -6.539 -3.827 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.027 -5.963 -4.706 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.583 -4.440 -3.856 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.219 -3.855 -4.088 1.00 0.00 H new ATOM 230 N GLN A 15 5.009 -5.936 -8.851 1.00 0.00 N ATOM 231 CA GLN A 15 3.803 -6.095 -9.712 1.00 0.00 C ATOM 232 C GLN A 15 2.740 -6.896 -8.958 1.00 0.00 C ATOM 233 O GLN A 15 2.964 -8.021 -8.557 1.00 0.00 O ATOM 234 CB GLN A 15 4.189 -6.839 -10.993 1.00 0.00 C ATOM 235 CG GLN A 15 5.112 -5.958 -11.839 1.00 0.00 C ATOM 236 CD GLN A 15 5.548 -6.726 -13.086 1.00 0.00 C ATOM 237 OE1 GLN A 15 6.136 -7.785 -12.988 1.00 0.00 O ATOM 238 NE2 GLN A 15 5.287 -6.235 -14.266 1.00 0.00 N ATOM 0 H GLN A 15 5.875 -6.304 -9.244 1.00 0.00 H new ATOM 0 HA GLN A 15 3.404 -5.113 -9.966 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.689 -7.775 -10.745 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.294 -7.096 -11.560 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.596 -5.042 -12.125 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.985 -5.663 -11.257 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.794 -5.346 -14.351 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.576 -6.740 -15.104 1.00 0.00 H new ATOM 247 N GLY A 16 1.583 -6.324 -8.764 1.00 0.00 N ATOM 248 CA GLY A 16 0.508 -7.052 -8.031 1.00 0.00 C ATOM 249 C GLY A 16 0.037 -6.209 -6.844 1.00 0.00 C ATOM 250 O GLY A 16 -1.130 -6.194 -6.506 1.00 0.00 O ATOM 0 H GLY A 16 1.336 -5.386 -9.080 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.328 -7.257 -8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.880 -8.015 -7.682 1.00 0.00 H new ATOM 254 N TRP A 17 0.934 -5.506 -6.209 1.00 0.00 N ATOM 255 CA TRP A 17 0.532 -4.648 -5.060 1.00 0.00 C ATOM 256 C TRP A 17 -0.186 -3.403 -5.581 1.00 0.00 C ATOM 257 O TRP A 17 0.092 -2.918 -6.661 1.00 0.00 O ATOM 258 CB TRP A 17 1.778 -4.228 -4.276 1.00 0.00 C ATOM 259 CG TRP A 17 2.475 -5.447 -3.763 1.00 0.00 C ATOM 260 CD1 TRP A 17 3.109 -6.361 -4.532 1.00 0.00 C ATOM 261 CD2 TRP A 17 2.622 -5.897 -2.386 1.00 0.00 C ATOM 262 NE1 TRP A 17 3.635 -7.346 -3.714 1.00 0.00 N ATOM 263 CE2 TRP A 17 3.361 -7.105 -2.382 1.00 0.00 C ATOM 264 CE3 TRP A 17 2.189 -5.383 -1.150 1.00 0.00 C ATOM 265 CZ2 TRP A 17 3.661 -7.776 -1.197 1.00 0.00 C ATOM 266 CZ3 TRP A 17 2.489 -6.057 0.046 1.00 0.00 C ATOM 267 CH2 TRP A 17 3.223 -7.250 0.021 1.00 0.00 C ATOM 0 H TRP A 17 1.928 -5.489 -6.437 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.137 -5.207 -4.406 1.00 0.00 H new ATOM 0 HB2 TRP A 17 2.448 -3.655 -4.916 1.00 0.00 H new ATOM 0 HB3 TRP A 17 1.498 -3.579 -3.446 1.00 0.00 H new ATOM 0 HD1 TRP A 17 3.191 -6.328 -5.608 1.00 0.00 H new ATOM 0 HE1 TRP A 17 4.161 -8.151 -4.054 1.00 0.00 H new ATOM 0 HE3 TRP A 17 1.622 -4.464 -1.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.228 -8.695 -1.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.152 -5.653 0.989 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.450 -7.763 0.944 1.00 0.00 H new ATOM 278 N GLU A 18 -1.110 -2.878 -4.823 1.00 0.00 N ATOM 279 CA GLU A 18 -1.869 -1.685 -5.291 1.00 0.00 C ATOM 280 C GLU A 18 -2.062 -0.713 -4.125 1.00 0.00 C ATOM 281 O GLU A 18 -2.082 -1.103 -2.975 1.00 0.00 O ATOM 282 CB GLU A 18 -3.237 -2.124 -5.819 1.00 0.00 C ATOM 283 CG GLU A 18 -3.048 -2.983 -7.071 1.00 0.00 C ATOM 284 CD GLU A 18 -4.416 -3.416 -7.603 1.00 0.00 C ATOM 285 OE1 GLU A 18 -5.411 -2.999 -7.032 1.00 0.00 O ATOM 286 OE2 GLU A 18 -4.445 -4.157 -8.572 1.00 0.00 O ATOM 0 H GLU A 18 -1.372 -3.224 -3.900 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.313 -1.192 -6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.770 -2.689 -5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.846 -1.251 -6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.511 -2.420 -7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.443 -3.859 -6.836 1.00 0.00 H new ATOM 293 N ARG A 19 -2.205 0.552 -4.412 1.00 0.00 N ATOM 294 CA ARG A 19 -2.429 1.544 -3.323 1.00 0.00 C ATOM 295 C ARG A 19 -3.888 2.004 -3.346 1.00 0.00 C ATOM 296 O ARG A 19 -4.557 1.929 -4.357 1.00 0.00 O ATOM 297 CB ARG A 19 -1.511 2.750 -3.533 1.00 0.00 C ATOM 298 CG ARG A 19 -1.671 3.724 -2.364 1.00 0.00 C ATOM 299 CD ARG A 19 -0.744 4.923 -2.568 1.00 0.00 C ATOM 300 NE ARG A 19 -1.195 5.702 -3.756 1.00 0.00 N ATOM 301 CZ ARG A 19 -0.364 6.504 -4.366 1.00 0.00 C ATOM 302 NH1 ARG A 19 0.862 6.621 -3.935 1.00 0.00 N ATOM 303 NH2 ARG A 19 -0.759 7.188 -5.406 1.00 0.00 N ATOM 0 H ARG A 19 -2.176 0.941 -5.354 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.207 1.083 -2.361 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.474 2.422 -3.608 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.756 3.248 -4.471 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.706 4.059 -2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.434 3.224 -1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.750 5.556 -1.681 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.282 4.583 -2.710 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.153 5.609 -4.093 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.170 6.087 -3.123 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.512 7.247 -4.410 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.717 7.096 -5.743 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.109 7.814 -5.882 1.00 0.00 H new ATOM 317 N GLU A 20 -4.388 2.479 -2.237 1.00 0.00 N ATOM 318 CA GLU A 20 -5.812 2.913 -2.189 1.00 0.00 C ATOM 319 C GLU A 20 -5.938 4.159 -1.312 1.00 0.00 C ATOM 320 O GLU A 20 -5.300 4.275 -0.284 1.00 0.00 O ATOM 321 CB GLU A 20 -6.667 1.788 -1.601 1.00 0.00 C ATOM 322 CG GLU A 20 -8.149 2.142 -1.748 1.00 0.00 C ATOM 323 CD GLU A 20 -9.003 1.016 -1.161 1.00 0.00 C ATOM 324 OE1 GLU A 20 -8.736 0.620 -0.038 1.00 0.00 O ATOM 325 OE2 GLU A 20 -9.910 0.570 -1.844 1.00 0.00 O ATOM 0 H GLU A 20 -3.872 2.585 -1.364 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.155 3.143 -3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.454 0.850 -2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.420 1.641 -0.550 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.362 3.080 -1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.396 2.290 -2.799 1.00 0.00 H new ATOM 332 N GLU A 21 -6.759 5.095 -1.708 1.00 0.00 N ATOM 333 CA GLU A 21 -6.960 6.314 -0.875 1.00 0.00 C ATOM 334 C GLU A 21 -8.396 6.339 -0.349 1.00 0.00 C ATOM 335 O GLU A 21 -9.345 6.338 -1.107 1.00 0.00 O ATOM 336 CB GLU A 21 -6.706 7.559 -1.726 1.00 0.00 C ATOM 337 CG GLU A 21 -5.263 7.546 -2.237 1.00 0.00 C ATOM 338 CD GLU A 21 -4.303 7.719 -1.058 1.00 0.00 C ATOM 339 OE1 GLU A 21 -4.736 8.228 -0.037 1.00 0.00 O ATOM 340 OE2 GLU A 21 -3.151 7.342 -1.197 1.00 0.00 O ATOM 0 H GLU A 21 -7.299 5.067 -2.573 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.266 6.301 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.400 7.585 -2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.886 8.458 -1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.057 6.608 -2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.115 8.347 -2.961 1.00 0.00 H new ATOM 347 N VAL A 22 -8.564 6.360 0.945 1.00 0.00 N ATOM 348 CA VAL A 22 -9.940 6.355 1.517 1.00 0.00 C ATOM 349 C VAL A 22 -10.080 7.495 2.528 1.00 0.00 C ATOM 350 O VAL A 22 -9.227 7.696 3.369 1.00 0.00 O ATOM 351 CB VAL A 22 -10.196 5.020 2.217 1.00 0.00 C ATOM 352 CG1 VAL A 22 -11.649 4.962 2.692 1.00 0.00 C ATOM 353 CG2 VAL A 22 -9.935 3.874 1.236 1.00 0.00 C ATOM 0 H VAL A 22 -7.809 6.380 1.630 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.665 6.491 0.715 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.530 4.926 3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.831 4.010 3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.837 5.779 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.316 5.056 1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.117 2.921 1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.602 3.970 0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.900 3.914 0.896 1.00 0.00 H new ATOM 363 N PRO A 23 -11.155 8.231 2.442 1.00 0.00 N ATOM 364 CA PRO A 23 -11.445 9.350 3.382 1.00 0.00 C ATOM 365 C PRO A 23 -11.939 8.850 4.743 1.00 0.00 C ATOM 366 O PRO A 23 -12.208 7.679 4.922 1.00 0.00 O ATOM 367 CB PRO A 23 -12.544 10.142 2.672 1.00 0.00 C ATOM 368 CG PRO A 23 -13.249 9.149 1.806 1.00 0.00 C ATOM 369 CD PRO A 23 -12.214 8.071 1.434 1.00 0.00 C ATOM 0 HA PRO A 23 -10.554 9.939 3.599 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -13.229 10.594 3.389 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -12.123 10.953 2.078 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -14.095 8.708 2.333 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.646 9.629 0.912 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.649 7.072 1.467 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.830 8.218 0.425 1.00 0.00 H new ATOM 377 N ARG A 24 -12.061 9.728 5.700 1.00 0.00 N ATOM 378 CA ARG A 24 -12.539 9.300 7.045 1.00 0.00 C ATOM 379 C ARG A 24 -13.985 9.761 7.240 1.00 0.00 C ATOM 380 O ARG A 24 -14.307 10.920 7.078 1.00 0.00 O ATOM 381 CB ARG A 24 -11.654 9.926 8.124 1.00 0.00 C ATOM 382 CG ARG A 24 -10.265 9.286 8.080 1.00 0.00 C ATOM 383 CD ARG A 24 -10.350 7.845 8.585 1.00 0.00 C ATOM 384 NE ARG A 24 -9.032 7.436 9.145 1.00 0.00 N ATOM 385 CZ ARG A 24 -8.653 7.881 10.313 1.00 0.00 C ATOM 386 NH1 ARG A 24 -9.431 8.682 10.989 1.00 0.00 N ATOM 387 NH2 ARG A 24 -7.499 7.524 10.804 1.00 0.00 N ATOM 0 H ARG A 24 -11.851 10.722 5.609 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.489 8.214 7.121 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.576 11.002 7.966 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.102 9.780 9.107 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.877 9.303 7.061 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.570 9.858 8.695 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.123 7.761 9.349 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.633 7.179 7.770 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.426 6.809 8.617 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.334 8.960 10.605 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.136 9.030 11.901 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.892 6.897 10.276 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.203 7.872 11.716 1.00 0.00 H new ATOM 401 N ARG A 25 -14.863 8.859 7.589 1.00 0.00 N ATOM 402 CA ARG A 25 -16.289 9.243 7.785 1.00 0.00 C ATOM 403 C ARG A 25 -16.613 9.259 9.280 1.00 0.00 C ATOM 404 O ARG A 25 -17.393 10.065 9.747 1.00 0.00 O ATOM 405 CB ARG A 25 -17.192 8.228 7.079 1.00 0.00 C ATOM 406 CG ARG A 25 -17.009 8.347 5.565 1.00 0.00 C ATOM 407 CD ARG A 25 -17.831 7.263 4.865 1.00 0.00 C ATOM 408 NE ARG A 25 -19.281 7.511 5.100 1.00 0.00 N ATOM 409 CZ ARG A 25 -20.157 6.590 4.800 1.00 0.00 C ATOM 410 NH1 ARG A 25 -19.762 5.455 4.293 1.00 0.00 N ATOM 411 NH2 ARG A 25 -21.427 6.806 5.007 1.00 0.00 N ATOM 0 H ARG A 25 -14.653 7.873 7.747 1.00 0.00 H new ATOM 0 HA ARG A 25 -16.459 10.235 7.366 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -16.947 7.218 7.407 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -18.234 8.406 7.345 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -17.325 9.334 5.226 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -15.955 8.243 5.306 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -17.619 7.264 3.796 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -17.553 6.279 5.244 1.00 0.00 H new ATOM 0 HE ARG A 25 -19.589 8.399 5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -18.769 5.287 4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -20.446 4.736 4.059 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -21.735 7.694 5.403 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -22.111 6.087 4.773 1.00 0.00 H new ATOM 425 N SER A 26 -16.021 8.374 10.035 1.00 0.00 N ATOM 426 CA SER A 26 -16.305 8.331 11.496 1.00 0.00 C ATOM 427 C SER A 26 -17.395 9.350 11.834 1.00 0.00 C ATOM 428 O SER A 26 -18.537 9.204 11.444 1.00 0.00 O ATOM 429 CB SER A 26 -15.032 8.671 12.272 1.00 0.00 C ATOM 430 OG SER A 26 -14.601 9.977 11.919 1.00 0.00 O ATOM 0 H SER A 26 -15.353 7.679 9.702 1.00 0.00 H new ATOM 0 HA SER A 26 -16.643 7.332 11.771 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.220 8.615 13.344 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.251 7.945 12.047 1.00 0.00 H new ATOM 0 HG SER A 26 -13.708 10.138 12.289 1.00 0.00 H new ATOM 436 N GLY A 27 -17.054 10.382 12.555 1.00 0.00 N ATOM 437 CA GLY A 27 -18.069 11.411 12.915 1.00 0.00 C ATOM 438 C GLY A 27 -17.386 12.768 13.086 1.00 0.00 C ATOM 439 O GLY A 27 -17.180 13.494 12.135 1.00 0.00 O ATOM 0 H GLY A 27 -16.114 10.557 12.911 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -18.831 11.472 12.138 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -18.576 11.129 13.838 1.00 0.00 H new ATOM 443 N LEU A 28 -17.032 13.117 14.293 1.00 0.00 N ATOM 444 CA LEU A 28 -16.362 14.427 14.524 1.00 0.00 C ATOM 445 C LEU A 28 -14.966 14.402 13.897 1.00 0.00 C ATOM 446 O LEU A 28 -14.566 15.324 13.214 1.00 0.00 O ATOM 447 CB LEU A 28 -16.242 14.682 16.027 1.00 0.00 C ATOM 448 CG LEU A 28 -15.532 16.016 16.265 1.00 0.00 C ATOM 449 CD1 LEU A 28 -16.315 17.140 15.585 1.00 0.00 C ATOM 450 CD2 LEU A 28 -15.451 16.288 17.768 1.00 0.00 C ATOM 0 H LEU A 28 -17.178 12.551 15.129 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.952 15.222 14.068 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -17.232 14.698 16.484 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.686 13.873 16.500 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.526 15.972 15.848 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.809 18.090 15.755 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.374 16.946 14.514 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -17.321 17.186 16.001 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.945 17.238 17.939 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -16.457 16.332 18.184 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.893 15.487 18.253 1.00 0.00 H new ATOM 462 N SER A 29 -14.222 13.355 14.126 1.00 0.00 N ATOM 463 CA SER A 29 -12.852 13.274 13.544 1.00 0.00 C ATOM 464 C SER A 29 -12.953 13.072 12.031 1.00 0.00 C ATOM 465 O SER A 29 -11.973 13.160 11.318 1.00 0.00 O ATOM 466 CB SER A 29 -12.104 12.096 14.167 1.00 0.00 C ATOM 467 OG SER A 29 -10.781 12.049 13.645 1.00 0.00 O ATOM 0 H SER A 29 -14.503 12.553 14.690 1.00 0.00 H new ATOM 0 HA SER A 29 -12.312 14.198 13.752 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.076 12.201 15.252 1.00 0.00 H new ATOM 0 HB3 SER A 29 -12.626 11.164 13.951 1.00 0.00 H new ATOM 0 HG SER A 29 -10.753 12.512 12.782 1.00 0.00 H new ATOM 473 N ALA A 30 -14.129 12.802 11.535 1.00 0.00 N ATOM 474 CA ALA A 30 -14.292 12.604 10.068 1.00 0.00 C ATOM 475 C ALA A 30 -13.659 13.779 9.322 1.00 0.00 C ATOM 476 O ALA A 30 -13.649 14.897 9.798 1.00 0.00 O ATOM 477 CB ALA A 30 -15.781 12.524 9.727 1.00 0.00 C ATOM 0 H ALA A 30 -14.984 12.710 12.083 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.801 11.678 9.769 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -15.901 12.379 8.653 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -16.232 11.686 10.259 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -16.273 13.450 10.025 1.00 0.00 H new ATOM 483 N GLY A 31 -13.130 13.537 8.153 1.00 0.00 N ATOM 484 CA GLY A 31 -12.497 14.641 7.378 1.00 0.00 C ATOM 485 C GLY A 31 -11.055 14.264 7.036 1.00 0.00 C ATOM 486 O GLY A 31 -10.544 14.614 5.989 1.00 0.00 O ATOM 0 H GLY A 31 -13.109 12.622 7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.061 14.828 6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.515 15.563 7.958 1.00 0.00 H new ATOM 490 N HIS A 32 -10.394 13.553 7.907 1.00 0.00 N ATOM 491 CA HIS A 32 -8.996 13.130 7.616 1.00 0.00 C ATOM 492 C HIS A 32 -9.009 12.010 6.574 1.00 0.00 C ATOM 493 O HIS A 32 -10.044 11.462 6.249 1.00 0.00 O ATOM 494 CB HIS A 32 -8.338 12.623 8.901 1.00 0.00 C ATOM 495 CG HIS A 32 -8.077 13.783 9.822 1.00 0.00 C ATOM 496 ND1 HIS A 32 -8.692 13.897 11.062 1.00 0.00 N ATOM 497 CD2 HIS A 32 -7.272 14.889 9.701 1.00 0.00 C ATOM 498 CE1 HIS A 32 -8.251 15.034 11.631 1.00 0.00 C ATOM 499 NE2 HIS A 32 -7.385 15.673 10.842 1.00 0.00 N ATOM 0 H HIS A 32 -10.762 13.247 8.808 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.432 13.979 7.230 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -8.985 11.895 9.390 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.403 12.113 8.667 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.647 15.115 8.850 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.559 15.385 12.605 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.906 16.553 11.036 1.00 0.00 H new ATOM 508 N ARG A 33 -7.866 11.664 6.047 1.00 0.00 N ATOM 509 CA ARG A 33 -7.816 10.587 5.018 1.00 0.00 C ATOM 510 C ARG A 33 -6.759 9.553 5.412 1.00 0.00 C ATOM 511 O ARG A 33 -5.783 9.866 6.065 1.00 0.00 O ATOM 512 CB ARG A 33 -7.453 11.196 3.662 1.00 0.00 C ATOM 513 CG ARG A 33 -6.051 11.803 3.733 1.00 0.00 C ATOM 514 CD ARG A 33 -5.725 12.491 2.406 1.00 0.00 C ATOM 515 NE ARG A 33 -6.588 13.697 2.247 1.00 0.00 N ATOM 516 CZ ARG A 33 -6.512 14.414 1.160 1.00 0.00 C ATOM 517 NH1 ARG A 33 -5.681 14.076 0.212 1.00 0.00 N ATOM 518 NH2 ARG A 33 -7.268 15.468 1.020 1.00 0.00 N ATOM 0 H ARG A 33 -6.966 12.080 6.284 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.790 10.102 4.951 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.491 10.431 2.886 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.179 11.962 3.390 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.995 12.522 4.551 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.317 11.025 3.942 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.674 12.777 2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.888 11.802 1.577 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.237 13.961 2.988 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.091 13.251 0.321 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.622 14.637 -0.638 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.918 15.731 1.760 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.209 16.029 0.170 1.00 0.00 H new ATOM 532 N ASP A 34 -6.946 8.322 5.021 1.00 0.00 N ATOM 533 CA ASP A 34 -5.946 7.272 5.364 1.00 0.00 C ATOM 534 C ASP A 34 -5.564 6.500 4.100 1.00 0.00 C ATOM 535 O ASP A 34 -6.372 6.298 3.216 1.00 0.00 O ATOM 536 CB ASP A 34 -6.552 6.308 6.387 1.00 0.00 C ATOM 537 CG ASP A 34 -6.425 6.906 7.790 1.00 0.00 C ATOM 538 OD1 ASP A 34 -5.784 7.936 7.918 1.00 0.00 O ATOM 539 OD2 ASP A 34 -6.974 6.325 8.711 1.00 0.00 O ATOM 0 H ASP A 34 -7.747 7.998 4.479 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.057 7.740 5.786 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.600 6.124 6.152 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.042 5.346 6.343 1.00 0.00 H new ATOM 544 N VAL A 35 -4.337 6.066 4.007 1.00 0.00 N ATOM 545 CA VAL A 35 -3.900 5.322 2.793 1.00 0.00 C ATOM 546 C VAL A 35 -3.786 3.833 3.122 1.00 0.00 C ATOM 547 O VAL A 35 -3.206 3.449 4.117 1.00 0.00 O ATOM 548 CB VAL A 35 -2.538 5.849 2.335 1.00 0.00 C ATOM 549 CG1 VAL A 35 -2.156 5.191 1.008 1.00 0.00 C ATOM 550 CG2 VAL A 35 -2.616 7.366 2.148 1.00 0.00 C ATOM 0 H VAL A 35 -3.618 6.195 4.719 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.631 5.463 1.997 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.785 5.613 3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.186 5.566 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.101 4.110 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.908 5.427 0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.647 7.743 1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.369 7.602 1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.888 7.836 3.093 1.00 0.00 H new ATOM 560 N PHE A 36 -4.336 2.988 2.292 1.00 0.00 N ATOM 561 CA PHE A 36 -4.242 1.524 2.548 1.00 0.00 C ATOM 562 C PHE A 36 -3.587 0.837 1.349 1.00 0.00 C ATOM 563 O PHE A 36 -3.669 1.306 0.231 1.00 0.00 O ATOM 564 CB PHE A 36 -5.645 0.953 2.760 1.00 0.00 C ATOM 565 CG PHE A 36 -6.181 1.414 4.093 1.00 0.00 C ATOM 566 CD1 PHE A 36 -6.858 2.636 4.191 1.00 0.00 C ATOM 567 CD2 PHE A 36 -6.002 0.620 5.233 1.00 0.00 C ATOM 568 CE1 PHE A 36 -7.354 3.064 5.428 1.00 0.00 C ATOM 569 CE2 PHE A 36 -6.499 1.049 6.470 1.00 0.00 C ATOM 570 CZ PHE A 36 -7.175 2.271 6.568 1.00 0.00 C ATOM 0 H PHE A 36 -4.846 3.249 1.448 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.640 1.349 3.440 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.307 1.279 1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.615 -0.136 2.725 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.997 3.248 3.312 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.481 -0.323 5.158 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.875 4.007 5.503 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.361 0.437 7.349 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.558 2.602 7.522 1.00 0.00 H new ATOM 580 N TYR A 37 -2.934 -0.271 1.571 1.00 0.00 N ATOM 581 CA TYR A 37 -2.269 -0.983 0.445 1.00 0.00 C ATOM 582 C TYR A 37 -2.785 -2.422 0.375 1.00 0.00 C ATOM 583 O TYR A 37 -3.140 -3.013 1.374 1.00 0.00 O ATOM 584 CB TYR A 37 -0.756 -0.994 0.670 1.00 0.00 C ATOM 585 CG TYR A 37 -0.202 0.390 0.427 1.00 0.00 C ATOM 586 CD1 TYR A 37 -0.273 1.361 1.433 1.00 0.00 C ATOM 587 CD2 TYR A 37 0.382 0.704 -0.807 1.00 0.00 C ATOM 588 CE1 TYR A 37 0.242 2.643 1.207 1.00 0.00 C ATOM 589 CE2 TYR A 37 0.895 1.985 -1.033 1.00 0.00 C ATOM 590 CZ TYR A 37 0.825 2.956 -0.027 1.00 0.00 C ATOM 591 OH TYR A 37 1.331 4.220 -0.250 1.00 0.00 O ATOM 0 H TYR A 37 -2.833 -0.714 2.484 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.493 -0.471 -0.491 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.531 -1.314 1.687 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.283 -1.710 -0.002 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.725 1.121 2.384 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.436 -0.044 -1.584 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.190 3.391 1.985 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.346 2.226 -1.985 1.00 0.00 H new ATOM 0 HH TYR A 37 2.038 4.409 0.401 1.00 0.00 H new ATOM 601 N TYR A 38 -2.830 -2.989 -0.799 1.00 0.00 N ATOM 602 CA TYR A 38 -3.335 -4.383 -0.935 1.00 0.00 C ATOM 603 C TYR A 38 -2.210 -5.291 -1.435 1.00 0.00 C ATOM 604 O TYR A 38 -1.565 -5.007 -2.424 1.00 0.00 O ATOM 605 CB TYR A 38 -4.495 -4.410 -1.933 1.00 0.00 C ATOM 606 CG TYR A 38 -5.707 -3.756 -1.314 1.00 0.00 C ATOM 607 CD1 TYR A 38 -5.781 -2.360 -1.225 1.00 0.00 C ATOM 608 CD2 TYR A 38 -6.757 -4.544 -0.829 1.00 0.00 C ATOM 609 CE1 TYR A 38 -6.905 -1.754 -0.652 1.00 0.00 C ATOM 610 CE2 TYR A 38 -7.881 -3.938 -0.255 1.00 0.00 C ATOM 611 CZ TYR A 38 -7.955 -2.543 -0.167 1.00 0.00 C ATOM 612 OH TYR A 38 -9.062 -1.946 0.399 1.00 0.00 O ATOM 0 H TYR A 38 -2.538 -2.546 -1.670 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.681 -4.738 0.036 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.214 -3.888 -2.848 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.726 -5.438 -2.211 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.971 -1.751 -1.599 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.700 -5.620 -0.898 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.962 -0.678 -0.584 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.691 -4.547 0.120 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.929 -0.976 0.433 1.00 0.00 H new ATOM 622 N SER A 39 -1.969 -6.381 -0.758 1.00 0.00 N ATOM 623 CA SER A 39 -0.897 -7.314 -1.207 1.00 0.00 C ATOM 624 C SER A 39 -1.502 -8.385 -2.116 1.00 0.00 C ATOM 625 O SER A 39 -2.682 -8.372 -2.406 1.00 0.00 O ATOM 626 CB SER A 39 -0.260 -7.981 0.012 1.00 0.00 C ATOM 627 OG SER A 39 -0.625 -7.265 1.185 1.00 0.00 O ATOM 0 H SER A 39 -2.467 -6.665 0.085 1.00 0.00 H new ATOM 0 HA SER A 39 -0.137 -6.758 -1.756 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.590 -9.017 0.087 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.825 -7.999 -0.094 1.00 0.00 H new ATOM 0 HG SER A 39 0.130 -6.715 1.481 1.00 0.00 H new ATOM 633 N PRO A 40 -0.693 -9.307 -2.561 1.00 0.00 N ATOM 634 CA PRO A 40 -1.138 -10.408 -3.463 1.00 0.00 C ATOM 635 C PRO A 40 -2.305 -11.205 -2.873 1.00 0.00 C ATOM 636 O PRO A 40 -3.148 -11.713 -3.587 1.00 0.00 O ATOM 637 CB PRO A 40 0.100 -11.295 -3.596 1.00 0.00 C ATOM 638 CG PRO A 40 1.262 -10.409 -3.287 1.00 0.00 C ATOM 639 CD PRO A 40 0.741 -9.398 -2.249 1.00 0.00 C ATOM 0 HA PRO A 40 -1.503 -10.026 -4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.055 -12.138 -2.906 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.179 -11.710 -4.601 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.099 -10.983 -2.890 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.619 -9.903 -4.184 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.910 -9.744 -1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.236 -8.432 -2.344 1.00 0.00 H new ATOM 647 N SER A 41 -2.363 -11.317 -1.574 1.00 0.00 N ATOM 648 CA SER A 41 -3.487 -12.062 -0.939 1.00 0.00 C ATOM 649 C SER A 41 -4.610 -11.086 -0.581 1.00 0.00 C ATOM 650 O SER A 41 -5.535 -11.422 0.130 1.00 0.00 O ATOM 651 CB SER A 41 -2.988 -12.751 0.332 1.00 0.00 C ATOM 652 OG SER A 41 -3.938 -12.563 1.371 1.00 0.00 O ATOM 0 H SER A 41 -1.681 -10.925 -0.925 1.00 0.00 H new ATOM 0 HA SER A 41 -3.865 -12.811 -1.635 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.839 -13.815 0.148 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.023 -12.340 0.627 1.00 0.00 H new ATOM 0 HG SER A 41 -4.843 -12.601 0.997 1.00 0.00 H new ATOM 658 N GLY A 42 -4.537 -9.879 -1.072 1.00 0.00 N ATOM 659 CA GLY A 42 -5.599 -8.881 -0.757 1.00 0.00 C ATOM 660 C GLY A 42 -5.442 -8.406 0.688 1.00 0.00 C ATOM 661 O GLY A 42 -6.333 -7.804 1.255 1.00 0.00 O ATOM 0 H GLY A 42 -3.789 -9.541 -1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.530 -8.033 -1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.584 -9.325 -0.900 1.00 0.00 H new ATOM 665 N LYS A 43 -4.316 -8.671 1.291 1.00 0.00 N ATOM 666 CA LYS A 43 -4.107 -8.244 2.703 1.00 0.00 C ATOM 667 C LYS A 43 -4.119 -6.716 2.780 1.00 0.00 C ATOM 668 O LYS A 43 -3.419 -6.043 2.050 1.00 0.00 O ATOM 669 CB LYS A 43 -2.760 -8.770 3.201 1.00 0.00 C ATOM 670 CG LYS A 43 -2.710 -8.685 4.728 1.00 0.00 C ATOM 671 CD LYS A 43 -1.407 -8.008 5.160 1.00 0.00 C ATOM 672 CE LYS A 43 -0.216 -8.816 4.644 1.00 0.00 C ATOM 673 NZ LYS A 43 0.939 -8.643 5.569 1.00 0.00 N ATOM 0 H LYS A 43 -3.531 -9.165 0.867 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.906 -8.645 3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.619 -9.802 2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.947 -8.187 2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.566 -8.121 5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.774 -9.683 5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.366 -6.991 4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.366 -7.934 6.247 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.482 -9.870 4.571 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.055 -8.485 3.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.803 -8.472 5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.763 -7.833 6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.058 -9.504 6.140 1.00 0.00 H new ATOM 687 N LYS A 44 -4.906 -6.164 3.661 1.00 0.00 N ATOM 688 CA LYS A 44 -4.941 -4.681 3.805 1.00 0.00 C ATOM 689 C LYS A 44 -3.980 -4.254 4.917 1.00 0.00 C ATOM 690 O LYS A 44 -4.142 -4.620 6.064 1.00 0.00 O ATOM 691 CB LYS A 44 -6.361 -4.234 4.157 1.00 0.00 C ATOM 692 CG LYS A 44 -7.300 -4.552 2.992 1.00 0.00 C ATOM 693 CD LYS A 44 -8.737 -4.203 3.385 1.00 0.00 C ATOM 694 CE LYS A 44 -8.913 -2.683 3.385 1.00 0.00 C ATOM 695 NZ LYS A 44 -8.452 -2.130 4.690 1.00 0.00 N ATOM 0 H LYS A 44 -5.527 -6.676 4.288 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.639 -4.218 2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.700 -4.742 5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.375 -3.165 4.368 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.006 -3.985 2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.229 -5.608 2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.437 -4.661 2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.963 -4.606 4.372 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.343 -2.240 2.568 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.959 -2.427 3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.153 -1.448 5.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.343 -2.904 5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.538 -1.651 4.561 1.00 0.00 H new ATOM 709 N PHE A 45 -2.982 -3.480 4.587 1.00 0.00 N ATOM 710 CA PHE A 45 -2.009 -3.038 5.624 1.00 0.00 C ATOM 711 C PHE A 45 -1.651 -1.568 5.393 1.00 0.00 C ATOM 712 O PHE A 45 -1.592 -1.104 4.272 1.00 0.00 O ATOM 713 CB PHE A 45 -0.743 -3.892 5.533 1.00 0.00 C ATOM 714 CG PHE A 45 -0.101 -3.699 4.180 1.00 0.00 C ATOM 715 CD1 PHE A 45 -0.458 -4.529 3.112 1.00 0.00 C ATOM 716 CD2 PHE A 45 0.852 -2.691 3.995 1.00 0.00 C ATOM 717 CE1 PHE A 45 0.138 -4.352 1.857 1.00 0.00 C ATOM 718 CE2 PHE A 45 1.447 -2.512 2.741 1.00 0.00 C ATOM 719 CZ PHE A 45 1.090 -3.342 1.672 1.00 0.00 C ATOM 0 H PHE A 45 -2.799 -3.135 3.645 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.454 -3.153 6.612 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.045 -3.612 6.322 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.989 -4.943 5.684 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.194 -5.307 3.255 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.128 -2.051 4.820 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.136 -4.994 1.033 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.182 -1.733 2.598 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.549 -3.203 0.704 1.00 0.00 H new ATOM 729 N ARG A 46 -1.410 -0.834 6.445 1.00 0.00 N ATOM 730 CA ARG A 46 -1.042 0.601 6.281 1.00 0.00 C ATOM 731 C ARG A 46 0.268 0.880 7.021 1.00 0.00 C ATOM 732 O ARG A 46 0.333 1.722 7.893 1.00 0.00 O ATOM 733 CB ARG A 46 -2.153 1.479 6.863 1.00 0.00 C ATOM 734 CG ARG A 46 -2.515 0.985 8.264 1.00 0.00 C ATOM 735 CD ARG A 46 -3.671 1.819 8.817 1.00 0.00 C ATOM 736 NE ARG A 46 -4.056 1.308 10.162 1.00 0.00 N ATOM 737 CZ ARG A 46 -5.209 1.632 10.680 1.00 0.00 C ATOM 738 NH1 ARG A 46 -6.027 2.405 10.019 1.00 0.00 N ATOM 739 NH2 ARG A 46 -5.543 1.184 11.860 1.00 0.00 N ATOM 0 H ARG A 46 -1.452 -1.165 7.409 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.915 0.826 5.222 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.825 2.518 6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.031 1.448 6.217 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.797 -0.067 8.228 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.650 1.061 8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.377 2.866 8.885 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.524 1.771 8.140 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.417 0.704 10.679 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.765 2.756 9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.928 2.658 10.424 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.903 0.581 12.377 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.444 1.437 12.265 1.00 0.00 H new ATOM 753 N SER A 47 1.313 0.177 6.680 1.00 0.00 N ATOM 754 CA SER A 47 2.619 0.405 7.360 1.00 0.00 C ATOM 755 C SER A 47 3.761 0.080 6.395 1.00 0.00 C ATOM 756 O SER A 47 3.785 -0.964 5.775 1.00 0.00 O ATOM 757 CB SER A 47 2.717 -0.499 8.589 1.00 0.00 C ATOM 758 OG SER A 47 3.626 0.073 9.521 1.00 0.00 O ATOM 0 H SER A 47 1.319 -0.545 5.960 1.00 0.00 H new ATOM 0 HA SER A 47 2.691 1.448 7.669 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.735 -0.617 9.047 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.055 -1.493 8.297 1.00 0.00 H new ATOM 0 HG SER A 47 3.702 -0.511 10.304 1.00 0.00 H new ATOM 764 N LYS A 48 4.709 0.966 6.264 1.00 0.00 N ATOM 765 CA LYS A 48 5.847 0.708 5.338 1.00 0.00 C ATOM 766 C LYS A 48 6.636 -0.509 5.825 1.00 0.00 C ATOM 767 O LYS A 48 6.965 -1.393 5.061 1.00 0.00 O ATOM 768 CB LYS A 48 6.766 1.930 5.305 1.00 0.00 C ATOM 769 CG LYS A 48 8.066 1.575 4.582 1.00 0.00 C ATOM 770 CD LYS A 48 9.162 1.292 5.611 1.00 0.00 C ATOM 771 CE LYS A 48 10.260 0.443 4.967 1.00 0.00 C ATOM 772 NZ LYS A 48 11.421 0.344 5.895 1.00 0.00 N ATOM 0 H LYS A 48 4.745 1.858 6.758 1.00 0.00 H new ATOM 0 HA LYS A 48 5.462 0.515 4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.270 2.757 4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.982 2.263 6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.915 0.702 3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.368 2.395 3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.581 2.229 5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.742 0.771 6.471 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.878 -0.552 4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.573 0.889 4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.167 -0.233 5.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.790 1.296 6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.117 -0.100 6.785 1.00 0.00 H new ATOM 786 N PRO A 49 6.934 -0.547 7.095 1.00 0.00 N ATOM 787 CA PRO A 49 7.679 -1.680 7.717 1.00 0.00 C ATOM 788 C PRO A 49 6.967 -3.021 7.517 1.00 0.00 C ATOM 789 O PRO A 49 7.592 -4.043 7.316 1.00 0.00 O ATOM 790 CB PRO A 49 7.726 -1.316 9.202 1.00 0.00 C ATOM 791 CG PRO A 49 6.658 -0.291 9.394 1.00 0.00 C ATOM 792 CD PRO A 49 6.591 0.490 8.080 1.00 0.00 C ATOM 0 HA PRO A 49 8.665 -1.809 7.270 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.547 -2.191 9.827 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.704 -0.921 9.479 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.701 -0.761 9.619 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.894 0.368 10.229 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.600 0.909 7.904 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.297 1.321 8.062 1.00 0.00 H new ATOM 800 N GLN A 50 5.663 -3.025 7.569 1.00 0.00 N ATOM 801 CA GLN A 50 4.912 -4.296 7.366 1.00 0.00 C ATOM 802 C GLN A 50 5.075 -4.759 5.917 1.00 0.00 C ATOM 803 O GLN A 50 5.200 -5.935 5.641 1.00 0.00 O ATOM 804 CB GLN A 50 3.428 -4.065 7.663 1.00 0.00 C ATOM 805 CG GLN A 50 2.666 -5.380 7.505 1.00 0.00 C ATOM 806 CD GLN A 50 1.199 -5.170 7.885 1.00 0.00 C ATOM 807 OE1 GLN A 50 0.304 -6.033 7.490 1.00 0.00 O flip ATOM 808 NE2 GLN A 50 0.863 -4.210 8.549 1.00 0.00 N flip ATOM 0 H GLN A 50 5.085 -2.203 7.743 1.00 0.00 H new ATOM 0 HA GLN A 50 5.303 -5.060 8.038 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.304 -3.680 8.675 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.023 -3.314 6.985 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.739 -5.733 6.476 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.110 -6.148 8.138 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.562 -3.534 8.859 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.118 -4.080 8.797 1.00 0.00 H new ATOM 817 N LEU A 51 5.076 -3.841 4.988 1.00 0.00 N ATOM 818 CA LEU A 51 5.227 -4.231 3.558 1.00 0.00 C ATOM 819 C LEU A 51 6.599 -4.874 3.346 1.00 0.00 C ATOM 820 O LEU A 51 6.730 -5.866 2.658 1.00 0.00 O ATOM 821 CB LEU A 51 5.106 -2.986 2.675 1.00 0.00 C ATOM 822 CG LEU A 51 4.583 -3.387 1.295 1.00 0.00 C ATOM 823 CD1 LEU A 51 4.432 -2.140 0.423 1.00 0.00 C ATOM 824 CD2 LEU A 51 5.573 -4.351 0.637 1.00 0.00 C ATOM 0 H LEU A 51 4.979 -2.840 5.158 1.00 0.00 H new ATOM 0 HA LEU A 51 4.447 -4.944 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.431 -2.265 3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.076 -2.499 2.580 1.00 0.00 H new ATOM 0 HG LEU A 51 3.614 -3.875 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.059 -2.427 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.728 -1.452 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.401 -1.652 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.202 -4.638 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.541 -3.862 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.682 -5.241 1.257 1.00 0.00 H new ATOM 836 N ALA A 52 7.622 -4.317 3.933 1.00 0.00 N ATOM 837 CA ALA A 52 8.987 -4.892 3.756 1.00 0.00 C ATOM 838 C ALA A 52 9.045 -6.277 4.402 1.00 0.00 C ATOM 839 O ALA A 52 9.644 -7.194 3.875 1.00 0.00 O ATOM 840 CB ALA A 52 10.016 -3.975 4.419 1.00 0.00 C ATOM 0 H ALA A 52 7.573 -3.489 4.527 1.00 0.00 H new ATOM 0 HA ALA A 52 9.210 -4.979 2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.014 -4.395 4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.975 -2.988 3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.794 -3.888 5.483 1.00 0.00 H new ATOM 846 N ARG A 53 8.428 -6.437 5.541 1.00 0.00 N ATOM 847 CA ARG A 53 8.447 -7.764 6.218 1.00 0.00 C ATOM 848 C ARG A 53 7.906 -8.832 5.265 1.00 0.00 C ATOM 849 O ARG A 53 8.475 -9.896 5.124 1.00 0.00 O ATOM 850 CB ARG A 53 7.572 -7.709 7.472 1.00 0.00 C ATOM 851 CG ARG A 53 7.890 -8.906 8.371 1.00 0.00 C ATOM 852 CD ARG A 53 9.043 -8.547 9.310 1.00 0.00 C ATOM 853 NE ARG A 53 8.604 -7.474 10.246 1.00 0.00 N ATOM 854 CZ ARG A 53 9.485 -6.673 10.781 1.00 0.00 C ATOM 855 NH1 ARG A 53 10.751 -6.813 10.496 1.00 0.00 N ATOM 856 NH2 ARG A 53 9.100 -5.734 11.602 1.00 0.00 N ATOM 0 H ARG A 53 7.912 -5.706 6.031 1.00 0.00 H new ATOM 0 HA ARG A 53 9.470 -8.013 6.499 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.750 -6.779 8.011 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.518 -7.720 7.194 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.009 -9.184 8.949 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.158 -9.770 7.763 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.358 -9.427 9.871 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.905 -8.211 8.733 1.00 0.00 H new ATOM 0 HE ARG A 53 7.615 -7.365 10.469 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.051 -7.548 9.856 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.440 -6.187 10.914 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.111 -5.626 11.826 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.789 -5.108 12.020 1.00 0.00 H new ATOM 870 N TYR A 54 6.812 -8.558 4.610 1.00 0.00 N ATOM 871 CA TYR A 54 6.242 -9.553 3.660 1.00 0.00 C ATOM 872 C TYR A 54 7.239 -9.805 2.525 1.00 0.00 C ATOM 873 O TYR A 54 7.525 -10.932 2.176 1.00 0.00 O ATOM 874 CB TYR A 54 4.934 -9.014 3.079 1.00 0.00 C ATOM 875 CG TYR A 54 4.183 -10.136 2.402 1.00 0.00 C ATOM 876 CD1 TYR A 54 4.461 -10.458 1.068 1.00 0.00 C ATOM 877 CD2 TYR A 54 3.208 -10.851 3.106 1.00 0.00 C ATOM 878 CE1 TYR A 54 3.765 -11.499 0.441 1.00 0.00 C ATOM 879 CE2 TYR A 54 2.513 -11.891 2.479 1.00 0.00 C ATOM 880 CZ TYR A 54 2.791 -12.215 1.146 1.00 0.00 C ATOM 881 OH TYR A 54 2.105 -13.241 0.527 1.00 0.00 O ATOM 0 H TYR A 54 6.288 -7.687 4.692 1.00 0.00 H new ATOM 0 HA TYR A 54 6.047 -10.487 4.187 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.324 -8.580 3.871 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.142 -8.218 2.364 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.211 -9.904 0.523 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.992 -10.600 4.134 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.980 -11.749 -0.587 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.762 -12.444 3.024 1.00 0.00 H new ATOM 0 HH TYR A 54 1.466 -13.634 1.157 1.00 0.00 H new ATOM 891 N LEU A 55 7.769 -8.762 1.948 1.00 0.00 N ATOM 892 CA LEU A 55 8.755 -8.941 0.844 1.00 0.00 C ATOM 893 C LEU A 55 10.015 -9.614 1.391 1.00 0.00 C ATOM 894 O LEU A 55 10.957 -9.872 0.668 1.00 0.00 O ATOM 895 CB LEU A 55 9.118 -7.576 0.257 1.00 0.00 C ATOM 896 CG LEU A 55 8.183 -7.256 -0.910 1.00 0.00 C ATOM 897 CD1 LEU A 55 6.729 -7.392 -0.451 1.00 0.00 C ATOM 898 CD2 LEU A 55 8.434 -5.825 -1.386 1.00 0.00 C ATOM 0 H LEU A 55 7.562 -7.794 2.193 1.00 0.00 H new ATOM 0 HA LEU A 55 8.319 -9.566 0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.036 -6.806 1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.154 -7.579 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 55 8.373 -7.951 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.062 -7.164 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.549 -8.412 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.539 -6.697 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.768 -5.596 -2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.244 -5.131 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.469 -5.726 -1.713 1.00 0.00 H new ATOM 910 N GLY A 56 10.041 -9.901 2.664 1.00 0.00 N ATOM 911 CA GLY A 56 11.242 -10.556 3.255 1.00 0.00 C ATOM 912 C GLY A 56 12.481 -9.704 2.976 1.00 0.00 C ATOM 913 O GLY A 56 13.416 -10.142 2.338 1.00 0.00 O ATOM 0 H GLY A 56 9.283 -9.710 3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.109 -10.681 4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.371 -11.552 2.832 1.00 0.00 H new ATOM 917 N GLY A 57 12.494 -8.487 3.448 1.00 0.00 N ATOM 918 CA GLY A 57 13.667 -7.603 3.197 1.00 0.00 C ATOM 919 C GLY A 57 14.249 -7.904 1.814 1.00 0.00 C ATOM 920 O GLY A 57 15.448 -7.903 1.621 1.00 0.00 O ATOM 0 H GLY A 57 11.743 -8.067 3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.366 -6.557 3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.425 -7.761 3.964 1.00 0.00 H new ATOM 924 N SER A 58 13.407 -8.163 0.850 1.00 0.00 N ATOM 925 CA SER A 58 13.913 -8.463 -0.519 1.00 0.00 C ATOM 926 C SER A 58 14.055 -7.158 -1.307 1.00 0.00 C ATOM 927 O SER A 58 14.467 -7.155 -2.450 1.00 0.00 O ATOM 928 CB SER A 58 12.928 -9.387 -1.235 1.00 0.00 C ATOM 929 OG SER A 58 11.700 -8.699 -1.436 1.00 0.00 O ATOM 0 H SER A 58 12.392 -8.180 0.952 1.00 0.00 H new ATOM 0 HA SER A 58 14.884 -8.953 -0.449 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.341 -9.706 -2.192 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.761 -10.288 -0.644 1.00 0.00 H new ATOM 0 HG SER A 58 10.981 -9.170 -0.965 1.00 0.00 H new ATOM 935 N MET A 59 13.716 -6.051 -0.708 1.00 0.00 N ATOM 936 CA MET A 59 13.826 -4.750 -1.424 1.00 0.00 C ATOM 937 C MET A 59 13.974 -3.617 -0.407 1.00 0.00 C ATOM 938 O MET A 59 13.458 -3.685 0.692 1.00 0.00 O ATOM 939 CB MET A 59 12.568 -4.521 -2.264 1.00 0.00 C ATOM 940 CG MET A 59 12.737 -3.254 -3.105 1.00 0.00 C ATOM 941 SD MET A 59 11.511 -3.245 -4.437 1.00 0.00 S ATOM 942 CE MET A 59 10.192 -2.407 -3.524 1.00 0.00 C ATOM 0 H MET A 59 13.367 -5.991 0.248 1.00 0.00 H new ATOM 0 HA MET A 59 14.699 -4.768 -2.076 1.00 0.00 H new ATOM 0 HB2 MET A 59 12.390 -5.379 -2.912 1.00 0.00 H new ATOM 0 HB3 MET A 59 11.697 -4.426 -1.615 1.00 0.00 H new ATOM 0 HG2 MET A 59 12.616 -2.370 -2.479 1.00 0.00 H new ATOM 0 HG3 MET A 59 13.743 -3.213 -3.522 1.00 0.00 H new ATOM 0 HE1 MET A 59 9.240 -2.571 -4.028 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.140 -2.806 -2.511 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.401 -1.338 -3.483 1.00 0.00 H new ATOM 952 N ASP A 60 14.673 -2.574 -0.763 1.00 0.00 N ATOM 953 CA ASP A 60 14.860 -1.443 0.188 1.00 0.00 C ATOM 954 C ASP A 60 13.675 -0.483 0.078 1.00 0.00 C ATOM 955 O ASP A 60 13.592 0.314 -0.834 1.00 0.00 O ATOM 956 CB ASP A 60 16.154 -0.698 -0.153 1.00 0.00 C ATOM 957 CG ASP A 60 16.474 0.303 0.958 1.00 0.00 C ATOM 958 OD1 ASP A 60 15.585 0.596 1.739 1.00 0.00 O ATOM 959 OD2 ASP A 60 17.603 0.761 1.006 1.00 0.00 O ATOM 0 H ASP A 60 15.122 -2.457 -1.671 1.00 0.00 H new ATOM 0 HA ASP A 60 14.921 -1.830 1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 60 16.975 -1.406 -0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 60 16.047 -0.179 -1.105 1.00 0.00 H new ATOM 964 N LEU A 61 12.757 -0.551 1.004 1.00 0.00 N ATOM 965 CA LEU A 61 11.583 0.365 0.957 1.00 0.00 C ATOM 966 C LEU A 61 11.843 1.573 1.859 1.00 0.00 C ATOM 967 O LEU A 61 11.012 2.448 1.998 1.00 0.00 O ATOM 968 CB LEU A 61 10.337 -0.377 1.445 1.00 0.00 C ATOM 969 CG LEU A 61 9.932 -1.430 0.413 1.00 0.00 C ATOM 970 CD1 LEU A 61 8.800 -2.289 0.976 1.00 0.00 C ATOM 971 CD2 LEU A 61 9.455 -0.733 -0.864 1.00 0.00 C ATOM 0 H LEU A 61 12.770 -1.201 1.790 1.00 0.00 H new ATOM 0 HA LEU A 61 11.426 0.703 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.537 -0.852 2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.520 0.327 1.602 1.00 0.00 H new ATOM 0 HG LEU A 61 10.789 -2.064 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.512 -3.039 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.138 -2.785 1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.942 -1.656 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.166 -1.482 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.598 -0.100 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.261 -0.120 -1.267 1.00 0.00 H new ATOM 983 N SER A 62 12.992 1.629 2.476 1.00 0.00 N ATOM 984 CA SER A 62 13.309 2.784 3.361 1.00 0.00 C ATOM 985 C SER A 62 13.142 4.088 2.577 1.00 0.00 C ATOM 986 O SER A 62 12.864 5.130 3.138 1.00 0.00 O ATOM 987 CB SER A 62 14.750 2.669 3.857 1.00 0.00 C ATOM 988 OG SER A 62 14.848 1.575 4.761 1.00 0.00 O ATOM 0 H SER A 62 13.725 0.923 2.405 1.00 0.00 H new ATOM 0 HA SER A 62 12.631 2.783 4.215 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.426 2.522 3.015 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.052 3.593 4.351 1.00 0.00 H new ATOM 0 HG SER A 62 15.771 1.496 5.080 1.00 0.00 H new ATOM 994 N THR A 63 13.311 4.039 1.284 1.00 0.00 N ATOM 995 CA THR A 63 13.152 5.274 0.466 1.00 0.00 C ATOM 996 C THR A 63 11.722 5.351 -0.072 1.00 0.00 C ATOM 997 O THR A 63 11.365 6.264 -0.789 1.00 0.00 O ATOM 998 CB THR A 63 14.136 5.238 -0.708 1.00 0.00 C ATOM 999 OG1 THR A 63 13.751 4.216 -1.614 1.00 0.00 O ATOM 1000 CG2 THR A 63 15.546 4.956 -0.186 1.00 0.00 C ATOM 0 H THR A 63 13.552 3.198 0.759 1.00 0.00 H new ATOM 0 HA THR A 63 13.354 6.148 1.086 1.00 0.00 H new ATOM 0 HB THR A 63 14.127 6.200 -1.220 1.00 0.00 H new ATOM 0 HG1 THR A 63 14.378 4.193 -2.367 1.00 0.00 H new ATOM 0 HG21 THR A 63 16.245 4.931 -1.022 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.840 5.742 0.510 1.00 0.00 H new ATOM 0 HG23 THR A 63 15.559 3.994 0.327 1.00 0.00 H new ATOM 1008 N PHE A 64 10.899 4.398 0.271 1.00 0.00 N ATOM 1009 CA PHE A 64 9.489 4.423 -0.211 1.00 0.00 C ATOM 1010 C PHE A 64 8.630 5.230 0.764 1.00 0.00 C ATOM 1011 O PHE A 64 8.441 4.849 1.902 1.00 0.00 O ATOM 1012 CB PHE A 64 8.955 2.991 -0.298 1.00 0.00 C ATOM 1013 CG PHE A 64 7.480 3.023 -0.621 1.00 0.00 C ATOM 1014 CD1 PHE A 64 7.051 3.399 -1.900 1.00 0.00 C ATOM 1015 CD2 PHE A 64 6.541 2.677 0.359 1.00 0.00 C ATOM 1016 CE1 PHE A 64 5.683 3.429 -2.199 1.00 0.00 C ATOM 1017 CE2 PHE A 64 5.174 2.706 0.060 1.00 0.00 C ATOM 1018 CZ PHE A 64 4.745 3.082 -1.219 1.00 0.00 C ATOM 0 H PHE A 64 11.142 3.604 0.864 1.00 0.00 H new ATOM 0 HA PHE A 64 9.450 4.886 -1.197 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.494 2.436 -1.066 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.120 2.472 0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.775 3.666 -2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.872 2.388 1.346 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.352 3.720 -3.185 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.450 2.438 0.816 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.690 3.104 -1.450 1.00 0.00 H new ATOM 1028 N ASP A 65 8.108 6.343 0.327 1.00 0.00 N ATOM 1029 CA ASP A 65 7.271 7.178 1.234 1.00 0.00 C ATOM 1030 C ASP A 65 5.890 6.539 1.385 1.00 0.00 C ATOM 1031 O ASP A 65 5.296 6.085 0.428 1.00 0.00 O ATOM 1032 CB ASP A 65 7.121 8.581 0.641 1.00 0.00 C ATOM 1033 CG ASP A 65 8.445 9.334 0.768 1.00 0.00 C ATOM 1034 OD1 ASP A 65 9.269 8.913 1.564 1.00 0.00 O ATOM 1035 OD2 ASP A 65 8.616 10.319 0.068 1.00 0.00 O ATOM 0 H ASP A 65 8.225 6.710 -0.618 1.00 0.00 H new ATOM 0 HA ASP A 65 7.749 7.245 2.211 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.827 8.515 -0.407 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.331 9.124 1.160 1.00 0.00 H new ATOM 1040 N PHE A 66 5.372 6.498 2.583 1.00 0.00 N ATOM 1041 CA PHE A 66 4.024 5.899 2.792 1.00 0.00 C ATOM 1042 C PHE A 66 2.954 6.981 2.624 1.00 0.00 C ATOM 1043 O PHE A 66 1.888 6.735 2.096 1.00 0.00 O ATOM 1044 CB PHE A 66 3.939 5.314 4.204 1.00 0.00 C ATOM 1045 CG PHE A 66 2.579 4.692 4.409 1.00 0.00 C ATOM 1046 CD1 PHE A 66 2.361 3.354 4.059 1.00 0.00 C ATOM 1047 CD2 PHE A 66 1.536 5.452 4.952 1.00 0.00 C ATOM 1048 CE1 PHE A 66 1.099 2.777 4.250 1.00 0.00 C ATOM 1049 CE2 PHE A 66 0.275 4.875 5.142 1.00 0.00 C ATOM 1050 CZ PHE A 66 0.057 3.537 4.791 1.00 0.00 C ATOM 0 H PHE A 66 5.824 6.853 3.425 1.00 0.00 H new ATOM 0 HA PHE A 66 3.860 5.108 2.060 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.718 4.566 4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.109 6.096 4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.166 2.767 3.642 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.704 6.483 5.224 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.931 1.745 3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.530 5.462 5.559 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.916 3.092 4.938 1.00 0.00 H new ATOM 1060 N ARG A 67 3.229 8.175 3.070 1.00 0.00 N ATOM 1061 CA ARG A 67 2.229 9.270 2.938 1.00 0.00 C ATOM 1062 C ARG A 67 1.898 9.483 1.458 1.00 0.00 C ATOM 1063 O ARG A 67 0.752 9.629 1.084 1.00 0.00 O ATOM 1064 CB ARG A 67 2.804 10.562 3.523 1.00 0.00 C ATOM 1065 CG ARG A 67 1.752 11.671 3.443 1.00 0.00 C ATOM 1066 CD ARG A 67 0.606 11.359 4.407 1.00 0.00 C ATOM 1067 NE ARG A 67 -0.138 12.613 4.716 1.00 0.00 N ATOM 1068 CZ ARG A 67 -1.050 13.051 3.895 1.00 0.00 C ATOM 1069 NH1 ARG A 67 -1.314 12.390 2.800 1.00 0.00 N ATOM 1070 NH2 ARG A 67 -1.702 14.149 4.167 1.00 0.00 N ATOM 0 H ARG A 67 4.105 8.440 3.521 1.00 0.00 H new ATOM 0 HA ARG A 67 1.322 9.000 3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.102 10.403 4.559 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.699 10.855 2.975 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.201 12.632 3.695 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.372 11.754 2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.066 10.624 3.964 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.998 10.920 5.325 1.00 0.00 H new ATOM 0 HE ARG A 67 0.067 13.129 5.572 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.806 11.531 2.588 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.028 12.733 2.157 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.498 14.665 5.023 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.416 14.491 3.524 1.00 0.00 H new ATOM 1084 N THR A 68 2.894 9.504 0.616 1.00 0.00 N ATOM 1085 CA THR A 68 2.635 9.700 -0.839 1.00 0.00 C ATOM 1086 C THR A 68 2.618 8.341 -1.542 1.00 0.00 C ATOM 1087 O THR A 68 2.076 8.197 -2.620 1.00 0.00 O ATOM 1088 CB THR A 68 3.740 10.572 -1.441 1.00 0.00 C ATOM 1089 OG1 THR A 68 4.960 9.844 -1.453 1.00 0.00 O ATOM 1090 CG2 THR A 68 3.907 11.839 -0.601 1.00 0.00 C ATOM 0 H THR A 68 3.875 9.394 0.872 1.00 0.00 H new ATOM 0 HA THR A 68 1.671 10.191 -0.973 1.00 0.00 H new ATOM 0 HB THR A 68 3.471 10.849 -2.460 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.669 10.400 -1.840 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.694 12.459 -1.030 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.970 12.396 -0.592 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.176 11.566 0.419 1.00 0.00 H new ATOM 1098 N GLY A 69 3.206 7.344 -0.940 1.00 0.00 N ATOM 1099 CA GLY A 69 3.216 5.994 -1.572 1.00 0.00 C ATOM 1100 C GLY A 69 4.069 6.029 -2.841 1.00 0.00 C ATOM 1101 O GLY A 69 3.814 5.317 -3.792 1.00 0.00 O ATOM 0 H GLY A 69 3.680 7.405 -0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.614 5.257 -0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.199 5.687 -1.814 1.00 0.00 H new ATOM 1105 N LYS A 70 5.082 6.852 -2.864 1.00 0.00 N ATOM 1106 CA LYS A 70 5.946 6.938 -4.074 1.00 0.00 C ATOM 1107 C LYS A 70 7.416 6.873 -3.658 1.00 0.00 C ATOM 1108 O LYS A 70 7.779 7.253 -2.562 1.00 0.00 O ATOM 1109 CB LYS A 70 5.677 8.257 -4.800 1.00 0.00 C ATOM 1110 CG LYS A 70 4.251 8.257 -5.353 1.00 0.00 C ATOM 1111 CD LYS A 70 3.973 9.589 -6.052 1.00 0.00 C ATOM 1112 CE LYS A 70 2.555 9.582 -6.621 1.00 0.00 C ATOM 1113 NZ LYS A 70 1.569 9.543 -5.503 1.00 0.00 N ATOM 0 H LYS A 70 5.348 7.469 -2.096 1.00 0.00 H new ATOM 0 HA LYS A 70 5.722 6.105 -4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.812 9.095 -4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.393 8.390 -5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.122 7.433 -6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.536 8.103 -4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.089 10.412 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.696 9.750 -6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.393 10.470 -7.232 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.417 8.718 -7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.702 10.042 -5.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.340 8.554 -5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.976 10.005 -4.665 1.00 0.00 H new ATOM 1127 N MET A 71 8.267 6.395 -4.524 1.00 0.00 N ATOM 1128 CA MET A 71 9.714 6.308 -4.177 1.00 0.00 C ATOM 1129 C MET A 71 10.357 7.688 -4.323 1.00 0.00 C ATOM 1130 O MET A 71 10.008 8.457 -5.196 1.00 0.00 O ATOM 1131 CB MET A 71 10.406 5.320 -5.118 1.00 0.00 C ATOM 1132 CG MET A 71 10.459 3.940 -4.462 1.00 0.00 C ATOM 1133 SD MET A 71 11.008 2.715 -5.675 1.00 0.00 S ATOM 1134 CE MET A 71 11.232 1.338 -4.523 1.00 0.00 C ATOM 0 H MET A 71 8.023 6.061 -5.456 1.00 0.00 H new ATOM 0 HA MET A 71 9.821 5.965 -3.148 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.867 5.264 -6.064 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.415 5.665 -5.346 1.00 0.00 H new ATOM 0 HG2 MET A 71 11.141 3.956 -3.612 1.00 0.00 H new ATOM 0 HG3 MET A 71 9.475 3.671 -4.077 1.00 0.00 H new ATOM 0 HE1 MET A 71 11.575 0.459 -5.069 1.00 0.00 H new ATOM 0 HE2 MET A 71 11.972 1.610 -3.771 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.284 1.114 -4.035 1.00 0.00 H new ATOM 1144 N LEU A 72 11.296 8.009 -3.474 1.00 0.00 N ATOM 1145 CA LEU A 72 11.960 9.340 -3.566 1.00 0.00 C ATOM 1146 C LEU A 72 13.165 9.373 -2.625 1.00 0.00 C ATOM 1147 CB LEU A 72 10.968 10.433 -3.161 1.00 0.00 C ATOM 1148 CG LEU A 72 11.477 11.791 -3.647 1.00 0.00 C ATOM 1149 CD1 LEU A 72 10.398 12.850 -3.426 1.00 0.00 C ATOM 1150 CD2 LEU A 72 12.735 12.171 -2.862 1.00 0.00 C ATOM 0 H LEU A 72 11.631 7.407 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 72 12.292 9.511 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.988 10.226 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.846 10.445 -2.078 1.00 0.00 H new ATOM 0 HG LEU A 72 11.714 11.733 -4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 72 10.761 13.817 -3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.502 12.578 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.160 12.911 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.100 13.139 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.497 12.230 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 72 13.505 11.416 -3.020 1.00 0.00 H new TER 1162 LEU A 72