USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 359 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -104:sc= 0.0682 (180deg=-0.0217) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.508 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -69:sc= 0.581 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -3.04! X(o=-3!,f=-2.8) USER MOD Single : A 25 LYS NZ :NH3+ -156:sc= 0.0155 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -3.54 X(o=-3.5,f=-3.1) USER MOD Single : A 43 LYS NZ :NH3+ -113:sc= -0.582 (180deg=-4.11!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 102:sc= 0.143 USER MOD Single : A 53 ASN : amide:sc= -0.932 K(o=-0.93,f=-6.9!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.27! C(o=-1.3!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.283 -13.976 -4.842 1.00 0.00 N ATOM 2 CA ALA A 1 3.501 -13.715 -3.606 1.00 0.00 C ATOM 3 C ALA A 1 2.066 -13.307 -3.941 1.00 0.00 C ATOM 4 O ALA A 1 1.759 -12.973 -5.085 1.00 0.00 O ATOM 5 CB ALA A 1 4.172 -12.628 -2.774 1.00 0.00 C ATOM 0 H1 ALA A 1 4.391 -15.002 -4.975 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.784 -13.572 -5.660 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.222 -13.537 -4.758 1.00 0.00 H new ATOM 0 HA ALA A 1 3.469 -14.638 -3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.588 -12.448 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.176 -12.949 -2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.232 -11.709 -3.357 1.00 0.00 H new ATOM 13 N PRO A 2 1.169 -13.333 -2.937 1.00 0.00 N ATOM 14 CA PRO A 2 -0.240 -12.948 -3.112 1.00 0.00 C ATOM 15 C PRO A 2 -0.371 -11.582 -3.771 1.00 0.00 C ATOM 16 O PRO A 2 0.597 -10.837 -3.877 1.00 0.00 O ATOM 17 CB PRO A 2 -0.791 -12.981 -1.667 1.00 0.00 C ATOM 18 CG PRO A 2 0.410 -12.975 -0.788 1.00 0.00 C ATOM 19 CD PRO A 2 1.456 -13.725 -1.551 1.00 0.00 C ATOM 0 HA PRO A 2 -0.794 -13.608 -3.779 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.427 -12.119 -1.469 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.398 -13.871 -1.498 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.734 -11.957 -0.571 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.201 -13.454 0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.464 -13.441 -1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.372 -14.802 -1.407 1.00 0.00 H new ATOM 24 N TRP A 3 -1.566 -11.268 -4.228 1.00 0.00 N ATOM 25 CA TRP A 3 -1.813 -10.013 -4.924 1.00 0.00 C ATOM 26 C TRP A 3 -3.076 -9.343 -4.414 1.00 0.00 C ATOM 27 O TRP A 3 -3.970 -9.992 -3.869 1.00 0.00 O ATOM 28 CB TRP A 3 -1.914 -10.300 -6.419 1.00 0.00 C ATOM 29 CG TRP A 3 -3.146 -11.037 -6.785 1.00 0.00 C ATOM 30 CD1 TRP A 3 -3.345 -12.385 -6.843 1.00 0.00 C ATOM 31 CD2 TRP A 3 -4.359 -10.429 -7.140 1.00 0.00 C ATOM 32 NE1 TRP A 3 -4.642 -12.641 -7.225 1.00 0.00 N ATOM 33 CE2 TRP A 3 -5.286 -11.441 -7.415 1.00 0.00 C ATOM 34 CE3 TRP A 3 -4.734 -9.108 -7.248 1.00 0.00 C ATOM 35 CZ2 TRP A 3 -6.593 -11.153 -7.802 1.00 0.00 C ATOM 36 CZ3 TRP A 3 -6.005 -8.814 -7.622 1.00 0.00 C ATOM 37 CH2 TRP A 3 -6.936 -9.826 -7.900 1.00 0.00 C ATOM 0 H TRP A 3 -2.387 -11.865 -4.131 1.00 0.00 H new ATOM 0 HA TRP A 3 -0.989 -9.325 -4.736 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.884 -9.358 -6.967 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.045 -10.878 -6.732 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.600 -13.135 -6.623 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -5.056 -13.565 -7.347 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -4.028 -8.318 -7.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -7.304 -11.937 -8.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.306 -7.780 -7.707 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -7.939 -9.558 -8.196 1.00 0.00 H new ATOM 47 N ALA A 4 -3.133 -8.022 -4.602 1.00 0.00 N ATOM 48 CA ALA A 4 -4.278 -7.263 -4.136 1.00 0.00 C ATOM 49 C ALA A 4 -4.639 -6.098 -5.048 1.00 0.00 C ATOM 50 O ALA A 4 -3.830 -5.649 -5.848 1.00 0.00 O ATOM 51 CB ALA A 4 -4.043 -6.731 -2.730 1.00 0.00 C ATOM 0 H ALA A 4 -2.410 -7.471 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.114 -7.963 -4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.916 -6.166 -2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.876 -7.565 -2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.168 -6.080 -2.729 1.00 0.00 H new ATOM 57 N THR A 5 -5.857 -5.628 -4.920 1.00 0.00 N ATOM 58 CA THR A 5 -6.336 -4.499 -5.704 1.00 0.00 C ATOM 59 C THR A 5 -6.612 -3.314 -4.809 1.00 0.00 C ATOM 60 O THR A 5 -6.935 -3.473 -3.631 1.00 0.00 O ATOM 61 CB THR A 5 -7.631 -4.843 -6.462 1.00 0.00 C ATOM 62 OG1 THR A 5 -7.518 -6.129 -7.075 1.00 0.00 O ATOM 63 CG2 THR A 5 -7.928 -3.795 -7.524 1.00 0.00 C ATOM 0 H THR A 5 -6.547 -6.011 -4.274 1.00 0.00 H new ATOM 0 HA THR A 5 -5.554 -4.257 -6.423 1.00 0.00 H new ATOM 0 HB THR A 5 -8.451 -4.857 -5.744 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.348 -6.338 -7.553 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.847 -4.058 -8.047 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.046 -2.820 -7.050 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.104 -3.755 -8.236 1.00 0.00 H new ATOM 71 N ALA A 6 -6.488 -2.114 -5.369 1.00 0.00 N ATOM 72 CA ALA A 6 -6.733 -0.888 -4.631 1.00 0.00 C ATOM 73 C ALA A 6 -8.196 -0.510 -4.728 1.00 0.00 C ATOM 74 O ALA A 6 -8.812 -0.609 -5.788 1.00 0.00 O ATOM 75 CB ALA A 6 -5.864 0.246 -5.157 1.00 0.00 C ATOM 0 H ALA A 6 -6.216 -1.969 -6.341 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.475 -1.059 -3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.066 1.153 -4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.813 -0.022 -5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.090 0.420 -6.209 1.00 0.00 H new ATOM 81 N GLU A 7 -8.743 -0.084 -3.607 1.00 0.00 N ATOM 82 CA GLU A 7 -10.131 0.325 -3.556 1.00 0.00 C ATOM 83 C GLU A 7 -10.273 1.823 -3.291 1.00 0.00 C ATOM 84 O GLU A 7 -11.371 2.372 -3.376 1.00 0.00 O ATOM 85 CB GLU A 7 -10.878 -0.439 -2.463 1.00 0.00 C ATOM 86 CG GLU A 7 -10.775 -1.950 -2.599 1.00 0.00 C ATOM 87 CD GLU A 7 -11.950 -2.549 -3.348 1.00 0.00 C ATOM 88 OE1 GLU A 7 -13.089 -2.085 -3.133 1.00 0.00 O ATOM 89 OE2 GLU A 7 -11.730 -3.481 -4.150 1.00 0.00 O ATOM 0 H GLU A 7 -8.247 -0.012 -2.719 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.562 0.099 -4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.485 -0.142 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.929 -0.151 -2.484 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.851 -2.202 -3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.715 -2.397 -1.607 1.00 0.00 H new ATOM 94 N TYR A 8 -9.148 2.487 -2.991 1.00 0.00 N ATOM 95 CA TYR A 8 -9.123 3.917 -2.695 1.00 0.00 C ATOM 96 C TYR A 8 -7.800 4.535 -3.121 1.00 0.00 C ATOM 97 O TYR A 8 -6.747 3.908 -2.992 1.00 0.00 O ATOM 98 CB TYR A 8 -9.312 4.060 -1.201 1.00 0.00 C ATOM 99 CG TYR A 8 -10.484 3.254 -0.742 1.00 0.00 C ATOM 100 CD1 TYR A 8 -11.763 3.640 -1.078 1.00 0.00 C ATOM 101 CD2 TYR A 8 -10.312 2.098 -0.007 1.00 0.00 C ATOM 102 CE1 TYR A 8 -12.852 2.901 -0.692 1.00 0.00 C ATOM 103 CE2 TYR A 8 -11.392 1.346 0.389 1.00 0.00 C ATOM 104 CZ TYR A 8 -12.667 1.749 0.044 1.00 0.00 C ATOM 105 OH TYR A 8 -13.755 1.001 0.436 1.00 0.00 O ATOM 0 H TYR A 8 -8.231 2.042 -2.948 1.00 0.00 H new ATOM 0 HA TYR A 8 -9.911 4.435 -3.242 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.412 3.732 -0.682 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.462 5.109 -0.946 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -11.911 4.541 -1.656 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.315 1.780 0.260 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.848 3.219 -0.963 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.244 0.445 0.966 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.450 0.222 0.946 1.00 0.00 H new ATOM 114 N ASP A 9 -7.847 5.760 -3.630 1.00 0.00 N ATOM 115 CA ASP A 9 -6.677 6.502 -4.105 1.00 0.00 C ATOM 116 C ASP A 9 -5.750 6.846 -2.945 1.00 0.00 C ATOM 117 O ASP A 9 -5.881 7.905 -2.332 1.00 0.00 O ATOM 118 CB ASP A 9 -7.173 7.790 -4.763 1.00 0.00 C ATOM 119 CG ASP A 9 -8.224 7.530 -5.824 1.00 0.00 C ATOM 120 OD1 ASP A 9 -9.284 6.964 -5.484 1.00 0.00 O ATOM 121 OD2 ASP A 9 -7.987 7.893 -6.995 1.00 0.00 O ATOM 0 H ASP A 9 -8.719 6.281 -3.728 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.118 5.893 -4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.587 8.449 -3.999 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.329 8.313 -5.212 1.00 0.00 H new ATOM 125 N TYR A 10 -4.813 5.954 -2.645 1.00 0.00 N ATOM 126 CA TYR A 10 -3.895 6.179 -1.531 1.00 0.00 C ATOM 127 C TYR A 10 -2.691 7.025 -1.921 1.00 0.00 C ATOM 128 O TYR A 10 -2.042 6.791 -2.941 1.00 0.00 O ATOM 129 CB TYR A 10 -3.396 4.860 -0.941 1.00 0.00 C ATOM 130 CG TYR A 10 -2.959 4.988 0.517 1.00 0.00 C ATOM 131 CD1 TYR A 10 -2.172 6.043 0.944 1.00 0.00 C ATOM 132 CD2 TYR A 10 -3.370 4.079 1.472 1.00 0.00 C ATOM 133 CE1 TYR A 10 -1.805 6.196 2.249 1.00 0.00 C ATOM 134 CE2 TYR A 10 -3.008 4.229 2.805 1.00 0.00 C ATOM 135 CZ TYR A 10 -2.224 5.297 3.182 1.00 0.00 C ATOM 136 OH TYR A 10 -1.836 5.457 4.490 1.00 0.00 O ATOM 0 H TYR A 10 -4.668 5.079 -3.149 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.472 6.723 -0.784 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.187 4.113 -1.014 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.558 4.496 -1.535 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.837 6.770 0.219 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.982 3.239 1.178 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.183 7.029 2.542 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.340 3.512 3.542 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.873 5.293 4.568 1.00 0.00 H new ATOM 145 N ASP A 11 -2.409 8.011 -1.081 1.00 0.00 N ATOM 146 CA ASP A 11 -1.231 8.839 -1.261 1.00 0.00 C ATOM 147 C ASP A 11 -0.217 8.599 -0.108 1.00 0.00 C ATOM 148 O ASP A 11 0.083 9.520 0.651 1.00 0.00 O ATOM 149 CB ASP A 11 -1.674 10.302 -1.265 1.00 0.00 C ATOM 150 CG ASP A 11 -0.510 11.272 -1.261 1.00 0.00 C ATOM 151 OD1 ASP A 11 0.318 11.209 -2.194 1.00 0.00 O ATOM 152 OD2 ASP A 11 -0.426 12.096 -0.328 1.00 0.00 O ATOM 0 H ASP A 11 -2.980 8.254 -0.271 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.742 8.586 -2.202 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.291 10.487 -2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.299 10.489 -0.392 1.00 0.00 H new ATOM 156 N ALA A 12 0.301 7.346 0.004 1.00 0.00 N ATOM 157 CA ALA A 12 1.324 6.937 1.000 1.00 0.00 C ATOM 158 C ALA A 12 1.491 7.920 2.156 1.00 0.00 C ATOM 159 O ALA A 12 2.194 8.923 2.027 1.00 0.00 O ATOM 160 CB ALA A 12 2.642 6.744 0.274 1.00 0.00 C ATOM 0 H ALA A 12 0.013 6.581 -0.606 1.00 0.00 H new ATOM 0 HA ALA A 12 0.985 6.009 1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.409 6.443 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.529 5.971 -0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.936 7.680 -0.202 1.00 0.00 H new ATOM 166 N ALA A 13 0.850 7.635 3.285 1.00 0.00 N ATOM 167 CA ALA A 13 0.888 8.489 4.463 1.00 0.00 C ATOM 168 C ALA A 13 2.261 8.524 5.189 1.00 0.00 C ATOM 169 O ALA A 13 2.566 9.504 5.870 1.00 0.00 O ATOM 170 CB ALA A 13 -0.169 8.031 5.439 1.00 0.00 C ATOM 0 H ALA A 13 0.284 6.795 3.407 1.00 0.00 H new ATOM 0 HA ALA A 13 0.704 9.503 4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.146 8.666 6.324 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.151 8.097 4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.026 6.998 5.728 1.00 0.00 H new ATOM 176 N GLU A 14 3.082 7.478 5.052 1.00 0.00 N ATOM 177 CA GLU A 14 4.360 7.389 5.811 1.00 0.00 C ATOM 178 C GLU A 14 5.709 7.523 5.069 1.00 0.00 C ATOM 179 O GLU A 14 6.752 7.413 5.710 1.00 0.00 O ATOM 180 CB GLU A 14 4.448 6.005 6.464 1.00 0.00 C ATOM 181 CG GLU A 14 3.114 5.388 6.869 1.00 0.00 C ATOM 182 CD GLU A 14 3.147 3.873 6.804 1.00 0.00 C ATOM 183 OE1 GLU A 14 4.250 3.298 6.915 1.00 0.00 O ATOM 184 OE2 GLU A 14 2.071 3.262 6.641 1.00 0.00 O ATOM 0 H GLU A 14 2.900 6.686 4.436 1.00 0.00 H new ATOM 0 HA GLU A 14 4.277 8.260 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.948 5.327 5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.079 6.079 7.350 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.862 5.702 7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.327 5.762 6.214 1.00 0.00 H new ATOM 189 N ASP A 15 5.701 7.735 3.764 1.00 0.00 N ATOM 190 CA ASP A 15 6.942 7.906 2.972 1.00 0.00 C ATOM 191 C ASP A 15 7.291 6.535 2.441 1.00 0.00 C ATOM 192 O ASP A 15 7.252 6.328 1.226 1.00 0.00 O ATOM 193 CB ASP A 15 8.086 8.566 3.747 1.00 0.00 C ATOM 194 CG ASP A 15 7.653 9.835 4.453 1.00 0.00 C ATOM 195 OD1 ASP A 15 6.596 10.389 4.083 1.00 0.00 O ATOM 196 OD2 ASP A 15 8.371 10.278 5.375 1.00 0.00 O ATOM 0 H ASP A 15 4.846 7.796 3.211 1.00 0.00 H new ATOM 0 HA ASP A 15 6.775 8.608 2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.477 7.861 4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.900 8.796 3.060 1.00 0.00 H new ATOM 200 N ASN A 16 7.636 5.577 3.320 1.00 0.00 N ATOM 201 CA ASN A 16 7.909 4.270 2.745 1.00 0.00 C ATOM 202 C ASN A 16 6.631 3.463 2.814 1.00 0.00 C ATOM 203 O ASN A 16 6.567 2.392 3.421 1.00 0.00 O ATOM 204 CB ASN A 16 8.868 3.620 3.754 1.00 0.00 C ATOM 205 CG ASN A 16 9.814 2.635 3.101 1.00 0.00 C ATOM 206 OD1 ASN A 16 9.482 2.009 2.094 1.00 0.00 O ATOM 207 ND2 ASN A 16 11.002 2.494 3.676 1.00 0.00 N ATOM 0 H ASN A 16 7.724 5.672 4.332 1.00 0.00 H new ATOM 0 HA ASN A 16 8.288 4.323 1.725 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.446 4.397 4.254 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.289 3.108 4.523 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.684 1.845 3.284 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.232 3.035 4.510 1.00 0.00 H new ATOM 213 N GLU A 17 5.619 3.983 2.174 1.00 0.00 N ATOM 214 CA GLU A 17 4.404 3.311 1.888 1.00 0.00 C ATOM 215 C GLU A 17 4.342 3.152 0.379 1.00 0.00 C ATOM 216 O GLU A 17 5.142 3.760 -0.333 1.00 0.00 O ATOM 217 CB GLU A 17 3.245 4.134 2.400 1.00 0.00 C ATOM 218 CG GLU A 17 2.075 3.326 2.872 1.00 0.00 C ATOM 219 CD GLU A 17 0.852 4.199 3.068 1.00 0.00 C ATOM 220 OE1 GLU A 17 0.758 4.865 4.121 1.00 0.00 O ATOM 221 OE2 GLU A 17 -0.011 4.215 2.167 1.00 0.00 O ATOM 0 H GLU A 17 5.632 4.941 1.823 1.00 0.00 H new ATOM 0 HA GLU A 17 4.352 2.336 2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.594 4.760 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.912 4.804 1.607 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.854 2.543 2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.326 2.831 3.810 1.00 0.00 H new ATOM 226 N LEU A 18 3.427 2.366 -0.122 1.00 0.00 N ATOM 227 CA LEU A 18 3.225 2.273 -1.548 1.00 0.00 C ATOM 228 C LEU A 18 2.134 3.275 -1.838 1.00 0.00 C ATOM 229 O LEU A 18 1.576 3.881 -0.923 1.00 0.00 O ATOM 230 CB LEU A 18 2.799 0.872 -1.966 1.00 0.00 C ATOM 231 CG LEU A 18 3.637 0.248 -3.073 1.00 0.00 C ATOM 232 CD1 LEU A 18 3.600 -1.259 -2.951 1.00 0.00 C ATOM 233 CD2 LEU A 18 3.137 0.692 -4.439 1.00 0.00 C ATOM 0 H LEU A 18 2.807 1.778 0.435 1.00 0.00 H new ATOM 0 HA LEU A 18 4.141 2.477 -2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.836 0.221 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.760 0.907 -2.293 1.00 0.00 H new ATOM 0 HG LEU A 18 4.669 0.584 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.201 -1.703 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.002 -1.556 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.570 -1.606 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.749 0.235 -5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.100 0.382 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.204 1.777 -4.516 1.00 0.00 H new ATOM 244 N THR A 19 1.822 3.456 -3.104 1.00 0.00 N ATOM 245 CA THR A 19 0.852 4.461 -3.468 1.00 0.00 C ATOM 246 C THR A 19 0.095 4.029 -4.685 1.00 0.00 C ATOM 247 O THR A 19 0.691 3.654 -5.694 1.00 0.00 O ATOM 248 CB THR A 19 1.529 5.807 -3.746 1.00 0.00 C ATOM 249 OG1 THR A 19 2.948 5.637 -3.854 1.00 0.00 O ATOM 250 CG2 THR A 19 1.208 6.762 -2.627 1.00 0.00 C ATOM 0 H THR A 19 2.218 2.931 -3.883 1.00 0.00 H new ATOM 0 HA THR A 19 0.165 4.581 -2.630 1.00 0.00 H new ATOM 0 HB THR A 19 1.157 6.210 -4.688 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.369 6.504 -4.033 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.687 7.722 -2.819 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.129 6.901 -2.566 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.575 6.355 -1.685 1.00 0.00 H new ATOM 258 N PHE A 20 -1.213 4.073 -4.609 1.00 0.00 N ATOM 259 CA PHE A 20 -2.003 3.617 -5.731 1.00 0.00 C ATOM 260 C PHE A 20 -3.340 4.326 -5.828 1.00 0.00 C ATOM 261 O PHE A 20 -3.777 5.025 -4.914 1.00 0.00 O ATOM 262 CB PHE A 20 -2.188 2.096 -5.663 1.00 0.00 C ATOM 263 CG PHE A 20 -2.219 1.587 -4.253 1.00 0.00 C ATOM 264 CD1 PHE A 20 -3.298 1.868 -3.438 1.00 0.00 C ATOM 265 CD2 PHE A 20 -1.156 0.867 -3.738 1.00 0.00 C ATOM 266 CE1 PHE A 20 -3.323 1.433 -2.130 1.00 0.00 C ATOM 267 CE2 PHE A 20 -1.169 0.435 -2.427 1.00 0.00 C ATOM 268 CZ PHE A 20 -2.255 0.717 -1.622 1.00 0.00 C ATOM 0 H PHE A 20 -1.744 4.410 -3.806 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.455 3.868 -6.639 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.116 1.823 -6.166 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.377 1.609 -6.204 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.130 2.434 -3.829 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.308 0.641 -4.367 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.175 1.651 -1.503 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.332 -0.122 -2.032 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.270 0.379 -0.597 1.00 0.00 H new ATOM 277 N VAL A 21 -3.966 4.117 -6.964 1.00 0.00 N ATOM 278 CA VAL A 21 -5.266 4.686 -7.254 1.00 0.00 C ATOM 279 C VAL A 21 -6.241 3.568 -7.486 1.00 0.00 C ATOM 280 O VAL A 21 -5.911 2.612 -8.182 1.00 0.00 O ATOM 281 CB VAL A 21 -5.243 5.607 -8.477 1.00 0.00 C ATOM 282 CG1 VAL A 21 -4.876 7.020 -8.061 1.00 0.00 C ATOM 283 CG2 VAL A 21 -4.276 5.074 -9.511 1.00 0.00 C ATOM 0 H VAL A 21 -3.587 3.544 -7.718 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.565 5.294 -6.400 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.237 5.633 -8.924 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.863 7.666 -8.939 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.612 7.392 -7.348 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.890 7.018 -7.597 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.267 5.736 -10.377 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.275 5.025 -9.082 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.588 4.076 -9.821 1.00 0.00 H new ATOM 293 N GLU A 22 -7.424 3.662 -6.880 1.00 0.00 N ATOM 294 CA GLU A 22 -8.469 2.647 -6.982 1.00 0.00 C ATOM 295 C GLU A 22 -8.363 1.775 -8.231 1.00 0.00 C ATOM 296 O GLU A 22 -7.978 2.225 -9.311 1.00 0.00 O ATOM 297 CB GLU A 22 -9.849 3.313 -6.946 1.00 0.00 C ATOM 298 CG GLU A 22 -10.250 3.986 -8.250 1.00 0.00 C ATOM 299 CD GLU A 22 -11.716 4.371 -8.279 1.00 0.00 C ATOM 300 OE1 GLU A 22 -12.463 3.933 -7.380 1.00 0.00 O ATOM 301 OE2 GLU A 22 -12.117 5.112 -9.201 1.00 0.00 O ATOM 0 H GLU A 22 -7.686 4.457 -6.297 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.333 1.987 -6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.597 2.561 -6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.861 4.055 -6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.641 4.878 -8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.038 3.314 -9.082 1.00 0.00 H new ATOM 306 N ASN A 23 -8.759 0.531 -8.055 1.00 0.00 N ATOM 307 CA ASN A 23 -8.688 -0.417 -9.158 1.00 0.00 C ATOM 308 C ASN A 23 -7.230 -0.696 -9.565 1.00 0.00 C ATOM 309 O ASN A 23 -6.986 -1.404 -10.542 1.00 0.00 O ATOM 310 CB ASN A 23 -9.482 0.088 -10.368 1.00 0.00 C ATOM 311 CG ASN A 23 -10.650 0.977 -9.985 1.00 0.00 C ATOM 312 OD1 ASN A 23 -11.347 0.721 -9.003 1.00 0.00 O ATOM 313 ND2 ASN A 23 -10.866 2.028 -10.763 1.00 0.00 N ATOM 0 H ASN A 23 -9.126 0.154 -7.181 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.132 -1.350 -8.812 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.814 0.641 -11.028 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -9.854 -0.767 -10.933 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.636 2.664 -10.558 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.262 2.200 -11.567 1.00 0.00 H new ATOM 319 N ASP A 24 -6.257 -0.140 -8.818 1.00 0.00 N ATOM 320 CA ASP A 24 -4.845 -0.360 -9.124 1.00 0.00 C ATOM 321 C ASP A 24 -4.451 -1.716 -8.593 1.00 0.00 C ATOM 322 O ASP A 24 -4.768 -2.083 -7.462 1.00 0.00 O ATOM 323 CB ASP A 24 -3.957 0.725 -8.513 1.00 0.00 C ATOM 324 CG ASP A 24 -3.701 1.872 -9.470 1.00 0.00 C ATOM 325 OD1 ASP A 24 -4.327 1.895 -10.551 1.00 0.00 O ATOM 326 OD2 ASP A 24 -2.877 2.749 -9.139 1.00 0.00 O ATOM 0 H ASP A 24 -6.428 0.457 -8.009 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.705 -0.316 -10.204 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.428 1.109 -7.608 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.005 0.286 -8.215 1.00 0.00 H new ATOM 330 N LYS A 25 -3.752 -2.454 -9.435 1.00 0.00 N ATOM 331 CA LYS A 25 -3.337 -3.781 -9.097 1.00 0.00 C ATOM 332 C LYS A 25 -2.078 -3.817 -8.232 1.00 0.00 C ATOM 333 O LYS A 25 -1.170 -3.001 -8.390 1.00 0.00 O ATOM 334 CB LYS A 25 -3.103 -4.547 -10.378 1.00 0.00 C ATOM 335 CG LYS A 25 -2.866 -5.992 -10.114 1.00 0.00 C ATOM 336 CD LYS A 25 -4.177 -6.719 -9.881 1.00 0.00 C ATOM 337 CE LYS A 25 -4.145 -8.095 -10.500 1.00 0.00 C ATOM 338 NZ LYS A 25 -5.023 -8.188 -11.699 1.00 0.00 N ATOM 0 H LYS A 25 -3.463 -2.144 -10.363 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.128 -4.237 -8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.966 -4.433 -11.034 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.245 -4.127 -10.903 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.342 -6.439 -10.959 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.222 -6.106 -9.242 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.367 -6.801 -8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.998 -6.143 -10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.121 -8.343 -10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.460 -8.832 -9.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.299 -9.179 -11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.875 -7.611 -11.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.509 -7.839 -12.533 1.00 0.00 H new ATOM 348 N ILE A 26 -2.047 -4.784 -7.317 1.00 0.00 N ATOM 349 CA ILE A 26 -0.912 -4.998 -6.429 1.00 0.00 C ATOM 350 C ILE A 26 -0.556 -6.487 -6.439 1.00 0.00 C ATOM 351 O ILE A 26 -1.441 -7.336 -6.476 1.00 0.00 O ATOM 352 CB ILE A 26 -1.252 -4.561 -4.987 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.657 -3.086 -4.959 1.00 0.00 C ATOM 354 CG2 ILE A 26 -0.069 -4.807 -4.061 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.708 -2.766 -3.918 1.00 0.00 C ATOM 0 H ILE A 26 -2.813 -5.442 -7.172 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.069 -4.401 -6.778 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.093 -5.158 -4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.772 -2.478 -4.769 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.033 -2.802 -5.942 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.327 -4.493 -3.050 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.177 -5.869 -4.060 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.791 -4.235 -4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.946 -1.703 -3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.608 -3.347 -4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.328 -3.018 -2.928 1.00 0.00 H new ATOM 366 N ILE A 27 0.731 -6.793 -6.401 1.00 0.00 N ATOM 367 CA ILE A 27 1.184 -8.184 -6.460 1.00 0.00 C ATOM 368 C ILE A 27 2.422 -8.405 -5.622 1.00 0.00 C ATOM 369 O ILE A 27 3.025 -7.466 -5.103 1.00 0.00 O ATOM 370 CB ILE A 27 1.456 -8.587 -7.923 1.00 0.00 C ATOM 371 CG1 ILE A 27 2.646 -7.815 -8.493 1.00 0.00 C ATOM 372 CG2 ILE A 27 0.222 -8.361 -8.768 1.00 0.00 C ATOM 373 CD1 ILE A 27 3.278 -8.483 -9.693 1.00 0.00 C ATOM 0 H ILE A 27 1.481 -6.105 -6.330 1.00 0.00 H new ATOM 0 HA ILE A 27 0.391 -8.811 -6.051 1.00 0.00 H new ATOM 0 HB ILE A 27 1.704 -9.648 -7.943 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.319 -6.814 -8.775 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.399 -7.697 -7.714 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.429 -8.650 -9.798 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.600 -8.963 -8.380 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.054 -7.307 -8.735 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.116 -7.881 -10.045 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.636 -9.473 -9.412 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.539 -8.577 -10.488 1.00 0.00 H new ATOM 384 N ASN A 28 2.791 -9.674 -5.500 1.00 0.00 N ATOM 385 CA ASN A 28 3.945 -10.060 -4.735 1.00 0.00 C ATOM 386 C ASN A 28 3.801 -9.542 -3.326 1.00 0.00 C ATOM 387 O ASN A 28 4.721 -8.972 -2.740 1.00 0.00 O ATOM 388 CB ASN A 28 5.223 -9.565 -5.399 1.00 0.00 C ATOM 389 CG ASN A 28 5.154 -9.713 -6.906 1.00 0.00 C ATOM 390 OD1 ASN A 28 4.480 -10.603 -7.423 1.00 0.00 O ATOM 391 ND2 ASN A 28 5.850 -8.846 -7.614 1.00 0.00 N ATOM 0 H ASN A 28 2.294 -10.453 -5.931 1.00 0.00 H new ATOM 0 HA ASN A 28 4.014 -11.147 -4.696 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.387 -8.519 -5.141 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.075 -10.125 -5.015 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.843 -8.897 -8.633 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.395 -8.124 -7.143 1.00 0.00 H new ATOM 397 N ILE A 29 2.604 -9.762 -2.803 1.00 0.00 N ATOM 398 CA ILE A 29 2.257 -9.328 -1.480 1.00 0.00 C ATOM 399 C ILE A 29 2.936 -10.209 -0.449 1.00 0.00 C ATOM 400 O ILE A 29 3.053 -11.421 -0.605 1.00 0.00 O ATOM 401 CB ILE A 29 0.720 -9.338 -1.262 1.00 0.00 C ATOM 402 CG1 ILE A 29 0.063 -8.260 -2.136 1.00 0.00 C ATOM 403 CG2 ILE A 29 0.371 -9.119 0.210 1.00 0.00 C ATOM 404 CD1 ILE A 29 -1.404 -8.014 -1.828 1.00 0.00 C ATOM 0 H ILE A 29 1.853 -10.248 -3.293 1.00 0.00 H new ATOM 0 HA ILE A 29 2.604 -8.301 -1.363 1.00 0.00 H new ATOM 0 HB ILE A 29 0.337 -10.316 -1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.610 -7.325 -2.012 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.159 -8.549 -3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.712 -9.131 0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.813 -9.914 0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.763 -8.156 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.790 -7.239 -2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.967 -8.935 -1.981 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.509 -7.692 -0.792 1.00 0.00 H new ATOM 415 N GLU A 30 3.346 -9.581 0.618 1.00 0.00 N ATOM 416 CA GLU A 30 3.957 -10.314 1.702 1.00 0.00 C ATOM 417 C GLU A 30 3.432 -9.799 3.015 1.00 0.00 C ATOM 418 O GLU A 30 2.877 -8.717 3.069 1.00 0.00 O ATOM 419 CB GLU A 30 5.484 -10.277 1.615 1.00 0.00 C ATOM 420 CG GLU A 30 6.009 -10.278 0.184 1.00 0.00 C ATOM 421 CD GLU A 30 7.326 -11.016 0.047 1.00 0.00 C ATOM 422 OE1 GLU A 30 8.385 -10.376 0.219 1.00 0.00 O ATOM 423 OE2 GLU A 30 7.299 -12.233 -0.229 1.00 0.00 O ATOM 0 H GLU A 30 3.272 -8.574 0.764 1.00 0.00 H new ATOM 0 HA GLU A 30 3.685 -11.367 1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.848 -9.386 2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.892 -11.138 2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.269 -10.739 -0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.136 -9.249 -0.153 1.00 0.00 H new ATOM 428 N PHE A 31 3.672 -10.534 4.084 1.00 0.00 N ATOM 429 CA PHE A 31 3.143 -10.101 5.369 1.00 0.00 C ATOM 430 C PHE A 31 4.226 -9.629 6.315 1.00 0.00 C ATOM 431 O PHE A 31 4.577 -10.295 7.289 1.00 0.00 O ATOM 432 CB PHE A 31 2.284 -11.214 5.971 1.00 0.00 C ATOM 433 CG PHE A 31 1.196 -11.660 5.024 1.00 0.00 C ATOM 434 CD1 PHE A 31 0.119 -10.827 4.732 1.00 0.00 C ATOM 435 CD2 PHE A 31 1.264 -12.897 4.403 1.00 0.00 C ATOM 436 CE1 PHE A 31 -0.865 -11.225 3.846 1.00 0.00 C ATOM 437 CE2 PHE A 31 0.284 -13.297 3.511 1.00 0.00 C ATOM 438 CZ PHE A 31 -0.783 -12.461 3.232 1.00 0.00 C ATOM 0 H PHE A 31 4.208 -11.402 4.096 1.00 0.00 H new ATOM 0 HA PHE A 31 2.511 -9.229 5.203 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.917 -12.065 6.223 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.835 -10.864 6.901 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.051 -9.858 5.204 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.092 -13.557 4.618 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.697 -10.571 3.634 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.352 -14.263 3.032 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.549 -12.773 2.537 1.00 0.00 H new ATOM 447 N VAL A 32 4.743 -8.453 5.995 1.00 0.00 N ATOM 448 CA VAL A 32 5.767 -7.800 6.786 1.00 0.00 C ATOM 449 C VAL A 32 5.177 -7.383 8.134 1.00 0.00 C ATOM 450 O VAL A 32 5.850 -7.471 9.162 1.00 0.00 O ATOM 451 CB VAL A 32 6.290 -6.559 6.023 1.00 0.00 C ATOM 452 CG1 VAL A 32 7.004 -6.981 4.749 1.00 0.00 C ATOM 453 CG2 VAL A 32 5.141 -5.612 5.705 1.00 0.00 C ATOM 0 H VAL A 32 4.459 -7.923 5.171 1.00 0.00 H new ATOM 0 HA VAL A 32 6.596 -8.486 6.959 1.00 0.00 H new ATOM 0 HB VAL A 32 7.004 -6.035 6.658 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.366 -6.097 4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.848 -7.624 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.312 -7.526 4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.523 -4.744 5.168 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.406 -6.127 5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.670 -5.287 6.633 1.00 0.00 H new ATOM 463 N ASP A 33 3.927 -6.929 8.135 1.00 0.00 N ATOM 464 CA ASP A 33 3.234 -6.556 9.364 1.00 0.00 C ATOM 465 C ASP A 33 1.804 -7.103 9.324 1.00 0.00 C ATOM 466 O ASP A 33 1.245 -7.288 8.248 1.00 0.00 O ATOM 467 CB ASP A 33 3.246 -5.040 9.558 1.00 0.00 C ATOM 468 CG ASP A 33 4.451 -4.581 10.353 1.00 0.00 C ATOM 469 OD1 ASP A 33 5.584 -4.723 9.847 1.00 0.00 O ATOM 470 OD2 ASP A 33 4.264 -4.083 11.484 1.00 0.00 O ATOM 0 H ASP A 33 3.369 -6.810 7.290 1.00 0.00 H new ATOM 0 HA ASP A 33 3.753 -6.992 10.217 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.245 -4.550 8.585 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.334 -4.733 10.071 1.00 0.00 H new ATOM 474 N ASP A 34 1.211 -7.361 10.487 1.00 0.00 N ATOM 475 CA ASP A 34 -0.164 -7.867 10.548 1.00 0.00 C ATOM 476 C ASP A 34 -1.117 -6.917 9.824 1.00 0.00 C ATOM 477 O ASP A 34 -1.945 -7.329 9.011 1.00 0.00 O ATOM 478 CB ASP A 34 -0.603 -8.030 12.005 1.00 0.00 C ATOM 479 CG ASP A 34 -0.603 -6.714 12.758 1.00 0.00 C ATOM 480 OD1 ASP A 34 0.485 -6.124 12.921 1.00 0.00 O ATOM 481 OD2 ASP A 34 -1.691 -6.273 13.183 1.00 0.00 O ATOM 0 H ASP A 34 1.655 -7.230 11.396 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.195 -8.839 10.055 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.603 -8.463 12.034 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.063 -8.733 12.506 1.00 0.00 H new ATOM 485 N ASP A 35 -0.972 -5.641 10.144 1.00 0.00 N ATOM 486 CA ASP A 35 -1.857 -4.596 9.633 1.00 0.00 C ATOM 487 C ASP A 35 -1.437 -3.993 8.302 1.00 0.00 C ATOM 488 O ASP A 35 -2.285 -3.666 7.471 1.00 0.00 O ATOM 489 CB ASP A 35 -1.958 -3.463 10.661 1.00 0.00 C ATOM 490 CG ASP A 35 -0.605 -3.060 11.216 1.00 0.00 C ATOM 491 OD1 ASP A 35 0.421 -3.500 10.656 1.00 0.00 O ATOM 492 OD2 ASP A 35 -0.573 -2.306 12.211 1.00 0.00 O ATOM 0 H ASP A 35 -0.239 -5.297 10.764 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.814 -5.089 9.463 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.429 -2.597 10.197 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.604 -3.777 11.481 1.00 0.00 H new ATOM 496 N TRP A 36 -0.142 -3.842 8.094 1.00 0.00 N ATOM 497 CA TRP A 36 0.349 -3.334 6.822 1.00 0.00 C ATOM 498 C TRP A 36 1.234 -4.372 6.149 1.00 0.00 C ATOM 499 O TRP A 36 2.313 -4.672 6.656 1.00 0.00 O ATOM 500 CB TRP A 36 1.118 -2.038 7.047 1.00 0.00 C ATOM 501 CG TRP A 36 0.203 -0.894 7.324 1.00 0.00 C ATOM 502 CD1 TRP A 36 -0.559 -0.712 8.439 1.00 0.00 C ATOM 503 CD2 TRP A 36 -0.072 0.210 6.460 1.00 0.00 C ATOM 504 NE1 TRP A 36 -1.289 0.440 8.329 1.00 0.00 N ATOM 505 CE2 TRP A 36 -1.004 1.029 7.122 1.00 0.00 C ATOM 506 CE3 TRP A 36 0.383 0.586 5.194 1.00 0.00 C ATOM 507 CZ2 TRP A 36 -1.489 2.202 6.557 1.00 0.00 C ATOM 508 CZ3 TRP A 36 -0.104 1.749 4.632 1.00 0.00 C ATOM 509 CH2 TRP A 36 -1.029 2.543 5.316 1.00 0.00 C ATOM 0 H TRP A 36 0.582 -4.060 8.778 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.498 -3.129 6.167 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.806 -2.164 7.883 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.722 -1.816 6.167 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.583 -1.380 9.287 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.938 0.801 9.028 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.102 -0.022 4.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.203 2.821 7.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.234 2.049 3.651 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.389 3.449 4.852 1.00 0.00 H new ATOM 519 N TRP A 37 0.817 -4.935 5.012 1.00 0.00 N ATOM 520 CA TRP A 37 1.583 -5.938 4.283 1.00 0.00 C ATOM 521 C TRP A 37 2.409 -5.234 3.224 1.00 0.00 C ATOM 522 O TRP A 37 2.247 -4.033 3.014 1.00 0.00 O ATOM 523 CB TRP A 37 0.618 -6.956 3.664 1.00 0.00 C ATOM 524 CG TRP A 37 -0.593 -7.247 4.480 1.00 0.00 C ATOM 525 CD1 TRP A 37 -0.626 -7.603 5.790 1.00 0.00 C ATOM 526 CD2 TRP A 37 -1.944 -7.236 4.023 1.00 0.00 C ATOM 527 NE1 TRP A 37 -1.919 -7.815 6.186 1.00 0.00 N ATOM 528 CE2 TRP A 37 -2.750 -7.595 5.116 1.00 0.00 C ATOM 529 CE3 TRP A 37 -2.548 -6.955 2.795 1.00 0.00 C ATOM 530 CZ2 TRP A 37 -4.134 -7.683 5.016 1.00 0.00 C ATOM 531 CZ3 TRP A 37 -3.922 -7.040 2.695 1.00 0.00 C ATOM 532 CH2 TRP A 37 -4.703 -7.403 3.800 1.00 0.00 C ATOM 0 H TRP A 37 -0.072 -4.702 4.570 1.00 0.00 H new ATOM 0 HA TRP A 37 2.257 -6.478 4.948 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.301 -6.588 2.688 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.156 -7.888 3.494 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.241 -7.704 6.426 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.216 -8.091 7.122 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.951 -6.676 1.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.739 -7.962 5.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.402 -6.824 1.752 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.776 -7.464 3.692 1.00 0.00 H new ATOM 542 N LEU A 38 3.298 -5.960 2.547 1.00 0.00 N ATOM 543 CA LEU A 38 4.140 -5.352 1.542 1.00 0.00 C ATOM 544 C LEU A 38 3.707 -5.773 0.153 1.00 0.00 C ATOM 545 O LEU A 38 3.153 -6.846 -0.035 1.00 0.00 O ATOM 546 CB LEU A 38 5.611 -5.715 1.830 1.00 0.00 C ATOM 547 CG LEU A 38 6.278 -6.684 0.836 1.00 0.00 C ATOM 548 CD1 LEU A 38 6.544 -5.972 -0.480 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.568 -7.243 1.416 1.00 0.00 C ATOM 0 H LEU A 38 3.446 -6.960 2.681 1.00 0.00 H new ATOM 0 HA LEU A 38 4.041 -4.267 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.193 -4.794 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.667 -6.153 2.826 1.00 0.00 H new ATOM 0 HG LEU A 38 5.603 -7.520 0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.016 -6.663 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.602 -5.619 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.205 -5.123 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.024 -7.925 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.257 -6.425 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.349 -7.780 2.339 1.00 0.00 H new ATOM 560 N GLY A 39 3.980 -4.906 -0.805 1.00 0.00 N ATOM 561 CA GLY A 39 3.561 -5.239 -2.149 1.00 0.00 C ATOM 562 C GLY A 39 4.582 -5.074 -3.254 1.00 0.00 C ATOM 563 O GLY A 39 5.780 -4.891 -3.035 1.00 0.00 O ATOM 0 H GLY A 39 4.463 -4.015 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.226 -6.276 -2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.695 -4.624 -2.395 1.00 0.00 H new ATOM 567 N GLU A 40 4.025 -5.149 -4.453 1.00 0.00 N ATOM 568 CA GLU A 40 4.717 -4.987 -5.719 1.00 0.00 C ATOM 569 C GLU A 40 3.605 -4.769 -6.741 1.00 0.00 C ATOM 570 O GLU A 40 2.823 -5.673 -6.962 1.00 0.00 O ATOM 571 CB GLU A 40 5.569 -6.202 -6.052 1.00 0.00 C ATOM 572 CG GLU A 40 6.820 -5.842 -6.834 1.00 0.00 C ATOM 573 CD GLU A 40 8.084 -6.391 -6.200 1.00 0.00 C ATOM 574 OE1 GLU A 40 8.201 -6.328 -4.959 1.00 0.00 O ATOM 575 OE2 GLU A 40 8.957 -6.882 -6.947 1.00 0.00 O ATOM 0 H GLU A 40 3.029 -5.334 -4.574 1.00 0.00 H new ATOM 0 HA GLU A 40 5.418 -4.153 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.855 -6.705 -5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.975 -6.910 -6.630 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.732 -6.226 -7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.897 -4.757 -6.909 1.00 0.00 H new ATOM 580 N LEU A 41 3.528 -3.622 -7.386 1.00 0.00 N ATOM 581 CA LEU A 41 2.413 -3.409 -8.307 1.00 0.00 C ATOM 582 C LEU A 41 2.591 -4.106 -9.638 1.00 0.00 C ATOM 583 O LEU A 41 3.578 -3.923 -10.324 1.00 0.00 O ATOM 584 CB LEU A 41 2.111 -1.925 -8.505 1.00 0.00 C ATOM 585 CG LEU A 41 1.880 -1.122 -7.224 1.00 0.00 C ATOM 586 CD1 LEU A 41 2.029 0.367 -7.499 1.00 0.00 C ATOM 587 CD2 LEU A 41 0.504 -1.422 -6.648 1.00 0.00 C ATOM 0 H LEU A 41 4.189 -2.850 -7.302 1.00 0.00 H new ATOM 0 HA LEU A 41 1.550 -3.871 -7.827 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.939 -1.474 -9.051 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.226 -1.833 -9.135 1.00 0.00 H new ATOM 0 HG LEU A 41 2.631 -1.416 -6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.862 0.926 -6.578 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.034 0.570 -7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.298 0.674 -8.247 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.357 -0.842 -5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.262 -1.154 -7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.430 -2.485 -6.418 1.00 0.00 H new ATOM 598 N GLU A 42 1.641 -4.964 -9.967 1.00 0.00 N ATOM 599 CA GLU A 42 1.676 -5.686 -11.222 1.00 0.00 C ATOM 600 C GLU A 42 1.692 -4.708 -12.396 1.00 0.00 C ATOM 601 O GLU A 42 2.381 -4.927 -13.392 1.00 0.00 O ATOM 602 CB GLU A 42 0.463 -6.639 -11.301 1.00 0.00 C ATOM 603 CG GLU A 42 -0.208 -6.743 -12.664 1.00 0.00 C ATOM 604 CD GLU A 42 -1.284 -7.810 -12.708 1.00 0.00 C ATOM 605 OE1 GLU A 42 -1.063 -8.900 -12.136 1.00 0.00 O ATOM 606 OE2 GLU A 42 -2.347 -7.557 -13.312 1.00 0.00 O ATOM 0 H GLU A 42 0.835 -5.176 -9.379 1.00 0.00 H new ATOM 0 HA GLU A 42 2.588 -6.281 -11.276 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.787 -7.635 -10.999 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.281 -6.312 -10.574 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.647 -5.779 -12.922 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.546 -6.962 -13.420 1.00 0.00 H new ATOM 611 N LYS A 43 0.926 -3.627 -12.267 1.00 0.00 N ATOM 612 CA LYS A 43 0.814 -2.662 -13.348 1.00 0.00 C ATOM 613 C LYS A 43 2.118 -1.900 -13.617 1.00 0.00 C ATOM 614 O LYS A 43 2.480 -1.705 -14.777 1.00 0.00 O ATOM 615 CB LYS A 43 -0.368 -1.715 -13.129 1.00 0.00 C ATOM 616 CG LYS A 43 -0.141 -0.641 -12.087 1.00 0.00 C ATOM 617 CD LYS A 43 -1.157 -0.757 -10.962 1.00 0.00 C ATOM 618 CE LYS A 43 -0.694 -0.009 -9.735 1.00 0.00 C ATOM 619 NZ LYS A 43 -0.835 1.465 -9.895 1.00 0.00 N ATOM 0 H LYS A 43 0.382 -3.402 -11.434 1.00 0.00 H new ATOM 0 HA LYS A 43 0.617 -3.236 -14.253 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.610 -1.235 -14.077 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.238 -2.304 -12.838 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.868 -0.728 -11.683 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.215 0.343 -12.550 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.117 -0.361 -11.292 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.313 -1.807 -10.715 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.272 -0.337 -8.871 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.349 -0.254 -9.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.108 1.903 -9.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.337 1.671 -10.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.374 1.851 -9.094 1.00 0.00 H new ATOM 629 N ASP A 44 2.833 -1.465 -12.579 1.00 0.00 N ATOM 630 CA ASP A 44 4.073 -0.693 -12.797 1.00 0.00 C ATOM 631 C ASP A 44 5.291 -1.289 -12.082 1.00 0.00 C ATOM 632 O ASP A 44 6.414 -0.814 -12.251 1.00 0.00 O ATOM 633 CB ASP A 44 3.879 0.757 -12.350 1.00 0.00 C ATOM 634 CG ASP A 44 4.695 1.730 -13.178 1.00 0.00 C ATOM 635 OD1 ASP A 44 5.860 1.410 -13.494 1.00 0.00 O ATOM 636 OD2 ASP A 44 4.170 2.814 -13.509 1.00 0.00 O ATOM 0 H ASP A 44 2.590 -1.624 -11.601 1.00 0.00 H new ATOM 0 HA ASP A 44 4.276 -0.736 -13.867 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.823 1.019 -12.422 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.160 0.852 -11.301 1.00 0.00 H new ATOM 640 N GLY A 45 5.062 -2.320 -11.292 1.00 0.00 N ATOM 641 CA GLY A 45 6.159 -2.952 -10.572 1.00 0.00 C ATOM 642 C GLY A 45 6.658 -2.150 -9.384 1.00 0.00 C ATOM 643 O GLY A 45 7.838 -2.226 -9.041 1.00 0.00 O ATOM 0 H GLY A 45 4.144 -2.735 -11.131 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.835 -3.933 -10.225 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.987 -3.115 -11.262 1.00 0.00 H new ATOM 647 N SER A 46 5.781 -1.385 -8.751 1.00 0.00 N ATOM 648 CA SER A 46 6.193 -0.591 -7.596 1.00 0.00 C ATOM 649 C SER A 46 6.068 -1.417 -6.328 1.00 0.00 C ATOM 650 O SER A 46 5.067 -2.094 -6.125 1.00 0.00 O ATOM 651 CB SER A 46 5.345 0.678 -7.484 1.00 0.00 C ATOM 652 OG SER A 46 6.067 1.815 -7.925 1.00 0.00 O ATOM 0 H SER A 46 4.798 -1.295 -9.008 1.00 0.00 H new ATOM 0 HA SER A 46 7.234 -0.298 -7.729 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.438 0.567 -8.078 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.033 0.820 -6.449 1.00 0.00 H new ATOM 0 HG SER A 46 5.503 2.612 -7.845 1.00 0.00 H new ATOM 657 N LYS A 47 7.063 -1.309 -5.448 1.00 0.00 N ATOM 658 CA LYS A 47 7.053 -2.062 -4.198 1.00 0.00 C ATOM 659 C LYS A 47 7.056 -1.130 -3.001 1.00 0.00 C ATOM 660 O LYS A 47 7.621 -0.037 -3.054 1.00 0.00 O ATOM 661 CB LYS A 47 8.250 -3.011 -4.077 1.00 0.00 C ATOM 662 CG LYS A 47 8.878 -3.386 -5.411 1.00 0.00 C ATOM 663 CD LYS A 47 10.041 -2.470 -5.757 1.00 0.00 C ATOM 664 CE LYS A 47 11.362 -3.035 -5.261 1.00 0.00 C ATOM 665 NZ LYS A 47 12.122 -3.708 -6.351 1.00 0.00 N ATOM 0 H LYS A 47 7.880 -0.712 -5.577 1.00 0.00 H new ATOM 0 HA LYS A 47 6.138 -2.654 -4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.008 -2.545 -3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.930 -3.921 -3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.226 -4.418 -5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.125 -3.332 -6.197 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.087 -2.330 -6.837 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.876 -1.487 -5.315 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.966 -2.231 -4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.174 -3.746 -4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.016 -4.080 -5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.557 -4.492 -6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.324 -3.023 -7.107 1.00 0.00 H new ATOM 675 N GLY A 48 6.426 -1.565 -1.921 1.00 0.00 N ATOM 676 CA GLY A 48 6.380 -0.780 -0.711 1.00 0.00 C ATOM 677 C GLY A 48 5.358 -1.312 0.266 1.00 0.00 C ATOM 678 O GLY A 48 4.457 -2.056 -0.119 1.00 0.00 O ATOM 0 H GLY A 48 5.940 -2.460 -1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.364 -0.778 -0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.142 0.255 -0.958 1.00 0.00 H new ATOM 682 N LEU A 49 5.491 -0.949 1.531 1.00 0.00 N ATOM 683 CA LEU A 49 4.544 -1.415 2.523 1.00 0.00 C ATOM 684 C LEU A 49 3.246 -0.695 2.297 1.00 0.00 C ATOM 685 O LEU A 49 3.211 0.534 2.270 1.00 0.00 O ATOM 686 CB LEU A 49 5.043 -1.134 3.932 1.00 0.00 C ATOM 687 CG LEU A 49 6.395 -1.731 4.277 1.00 0.00 C ATOM 688 CD1 LEU A 49 7.264 -0.687 4.957 1.00 0.00 C ATOM 689 CD2 LEU A 49 6.198 -2.948 5.160 1.00 0.00 C ATOM 0 H LEU A 49 6.231 -0.345 1.888 1.00 0.00 H new ATOM 0 HA LEU A 49 4.416 -2.493 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.096 -0.054 4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.307 -1.512 4.642 1.00 0.00 H new ATOM 0 HG LEU A 49 6.904 -2.047 3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.233 -1.123 5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.406 0.161 4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.777 -0.348 5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.168 -3.378 5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.686 -2.654 6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.598 -3.688 4.631 1.00 0.00 H new ATOM 700 N PHE A 50 2.168 -1.438 2.132 1.00 0.00 N ATOM 701 CA PHE A 50 0.885 -0.854 1.861 1.00 0.00 C ATOM 702 C PHE A 50 -0.104 -1.216 2.958 1.00 0.00 C ATOM 703 O PHE A 50 0.159 -2.085 3.790 1.00 0.00 O ATOM 704 CB PHE A 50 0.377 -1.298 0.482 1.00 0.00 C ATOM 705 CG PHE A 50 -0.023 -2.743 0.405 1.00 0.00 C ATOM 706 CD1 PHE A 50 0.909 -3.721 0.096 1.00 0.00 C ATOM 707 CD2 PHE A 50 -1.336 -3.121 0.631 1.00 0.00 C ATOM 708 CE1 PHE A 50 0.537 -5.051 0.015 1.00 0.00 C ATOM 709 CE2 PHE A 50 -1.711 -4.448 0.554 1.00 0.00 C ATOM 710 CZ PHE A 50 -0.774 -5.413 0.245 1.00 0.00 C ATOM 0 H PHE A 50 2.165 -2.457 2.183 1.00 0.00 H new ATOM 0 HA PHE A 50 0.987 0.231 1.847 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.479 -0.681 0.208 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.156 -1.109 -0.257 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.937 -3.442 -0.083 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.075 -2.370 0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.272 -5.804 -0.228 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.737 -4.731 0.736 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.067 -6.451 0.183 1.00 0.00 H new ATOM 719 N PRO A 51 -1.252 -0.546 2.966 1.00 0.00 N ATOM 720 CA PRO A 51 -2.296 -0.724 3.953 1.00 0.00 C ATOM 721 C PRO A 51 -3.142 -1.955 3.723 1.00 0.00 C ATOM 722 O PRO A 51 -2.921 -2.760 2.820 1.00 0.00 O ATOM 723 CB PRO A 51 -3.173 0.528 3.828 1.00 0.00 C ATOM 724 CG PRO A 51 -2.565 1.346 2.745 1.00 0.00 C ATOM 725 CD PRO A 51 -1.667 0.439 1.968 1.00 0.00 C ATOM 0 HA PRO A 51 -1.853 -0.858 4.940 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.202 0.261 3.585 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.200 1.081 4.767 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.336 1.770 2.102 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.003 2.182 3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.189 -0.028 1.133 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.814 0.975 1.551 1.00 0.00 H new ATOM 730 N SER A 52 -4.115 -2.047 4.603 1.00 0.00 N ATOM 731 CA SER A 52 -5.020 -3.177 4.443 1.00 0.00 C ATOM 732 C SER A 52 -6.477 -2.806 4.359 1.00 0.00 C ATOM 733 O SER A 52 -7.293 -3.565 3.835 1.00 0.00 O ATOM 734 CB SER A 52 -4.721 -4.251 5.486 1.00 0.00 C ATOM 735 OG SER A 52 -5.565 -5.377 5.314 1.00 0.00 O ATOM 0 H SER A 52 -4.298 -1.412 5.380 1.00 0.00 H new ATOM 0 HA SER A 52 -4.819 -3.602 3.460 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.678 -4.559 5.407 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.857 -3.839 6.486 1.00 0.00 H new ATOM 0 HG SER A 52 -5.066 -6.095 4.871 1.00 0.00 H new ATOM 740 N ASN A 53 -6.809 -1.635 4.876 1.00 0.00 N ATOM 741 CA ASN A 53 -8.148 -1.115 4.815 1.00 0.00 C ATOM 742 C ASN A 53 -8.342 -0.313 3.522 1.00 0.00 C ATOM 743 O ASN A 53 -9.464 -0.166 3.035 1.00 0.00 O ATOM 744 CB ASN A 53 -8.423 -0.247 6.046 1.00 0.00 C ATOM 745 CG ASN A 53 -7.679 1.074 6.001 1.00 0.00 C ATOM 746 OD1 ASN A 53 -6.643 1.193 5.347 1.00 0.00 O ATOM 747 ND2 ASN A 53 -8.206 2.077 6.697 1.00 0.00 N ATOM 0 H ASN A 53 -6.147 -1.021 5.351 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.858 -1.942 4.811 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.493 -0.055 6.120 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.134 -0.793 6.944 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.750 2.989 6.703 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.067 1.934 7.225 1.00 0.00 H new ATOM 753 N TYR A 54 -7.225 0.208 2.964 1.00 0.00 N ATOM 754 CA TYR A 54 -7.247 0.991 1.731 1.00 0.00 C ATOM 755 C TYR A 54 -7.297 0.071 0.493 1.00 0.00 C ATOM 756 O TYR A 54 -7.566 0.527 -0.618 1.00 0.00 O ATOM 757 CB TYR A 54 -6.003 1.885 1.625 1.00 0.00 C ATOM 758 CG TYR A 54 -6.214 3.362 1.790 1.00 0.00 C ATOM 759 CD1 TYR A 54 -6.370 3.902 3.050 1.00 0.00 C ATOM 760 CD2 TYR A 54 -6.160 4.227 0.702 1.00 0.00 C ATOM 761 CE1 TYR A 54 -6.486 5.258 3.227 1.00 0.00 C ATOM 762 CE2 TYR A 54 -6.263 5.588 0.875 1.00 0.00 C ATOM 763 CZ TYR A 54 -6.428 6.099 2.142 1.00 0.00 C ATOM 764 OH TYR A 54 -6.527 7.456 2.327 1.00 0.00 O ATOM 0 H TYR A 54 -6.293 0.092 3.362 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.142 1.612 1.762 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.285 1.558 2.377 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.544 1.714 0.651 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.401 3.248 3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.035 3.825 -0.292 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -6.623 5.664 4.218 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.215 6.250 0.023 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.467 7.910 1.460 1.00 0.00 H new ATOM 773 N VAL A 55 -7.029 -1.233 0.702 1.00 0.00 N ATOM 774 CA VAL A 55 -6.989 -2.203 -0.402 1.00 0.00 C ATOM 775 C VAL A 55 -7.557 -3.571 -0.021 1.00 0.00 C ATOM 776 O VAL A 55 -7.628 -3.926 1.156 1.00 0.00 O ATOM 777 CB VAL A 55 -5.547 -2.484 -0.883 1.00 0.00 C ATOM 778 CG1 VAL A 55 -4.858 -1.202 -1.320 1.00 0.00 C ATOM 779 CG2 VAL A 55 -4.742 -3.204 0.189 1.00 0.00 C ATOM 0 H VAL A 55 -6.839 -1.634 1.620 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.592 -1.733 -1.179 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.606 -3.142 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.845 -1.429 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.417 -0.749 -2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.817 -0.507 -0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.732 -3.389 -0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.696 -2.586 1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.221 -4.154 0.427 1.00 0.00 H new ATOM 789 N SER A 56 -7.956 -4.324 -1.035 1.00 0.00 N ATOM 790 CA SER A 56 -8.491 -5.669 -0.861 1.00 0.00 C ATOM 791 C SER A 56 -7.546 -6.701 -1.488 1.00 0.00 C ATOM 792 O SER A 56 -7.034 -6.491 -2.585 1.00 0.00 O ATOM 793 CB SER A 56 -9.853 -5.756 -1.525 1.00 0.00 C ATOM 794 OG SER A 56 -10.783 -6.449 -0.710 1.00 0.00 O ATOM 0 H SER A 56 -7.918 -4.019 -2.008 1.00 0.00 H new ATOM 0 HA SER A 56 -8.586 -5.881 0.204 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.224 -4.752 -1.730 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.760 -6.263 -2.485 1.00 0.00 H new ATOM 0 HG SER A 56 -11.651 -6.487 -1.164 1.00 0.00 H new ATOM 799 N LEU A 57 -7.351 -7.834 -0.803 1.00 0.00 N ATOM 800 CA LEU A 57 -6.454 -8.876 -1.318 1.00 0.00 C ATOM 801 C LEU A 57 -7.153 -9.753 -2.344 1.00 0.00 C ATOM 802 O LEU A 57 -8.256 -10.248 -2.115 1.00 0.00 O ATOM 803 CB LEU A 57 -5.924 -9.774 -0.198 1.00 0.00 C ATOM 804 CG LEU A 57 -5.008 -9.100 0.824 1.00 0.00 C ATOM 805 CD1 LEU A 57 -4.650 -10.068 1.944 1.00 0.00 C ATOM 806 CD2 LEU A 57 -3.744 -8.590 0.151 1.00 0.00 C ATOM 0 H LEU A 57 -7.792 -8.051 0.091 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.620 -8.353 -1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.775 -10.201 0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.382 -10.604 -0.651 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.543 -8.253 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.998 -9.570 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.560 -10.395 2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.136 -10.934 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.104 -8.113 0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.212 -9.425 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.009 -7.865 -0.619 1.00 0.00 H new ATOM 817 N GLY A 58 -6.493 -9.937 -3.477 1.00 0.00 N ATOM 818 CA GLY A 58 -7.047 -10.755 -4.536 1.00 0.00 C ATOM 819 C GLY A 58 -6.817 -12.241 -4.295 1.00 0.00 C ATOM 820 O GLY A 58 -7.137 -13.067 -5.150 1.00 0.00 O ATOM 0 H GLY A 58 -5.580 -9.533 -3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.117 -10.563 -4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.597 -10.469 -5.487 1.00 0.00 H new ATOM 824 N ASN A 59 -6.260 -12.584 -3.129 1.00 0.00 N ATOM 825 CA ASN A 59 -5.979 -13.974 -2.793 1.00 0.00 C ATOM 826 C ASN A 59 -6.152 -14.217 -1.296 1.00 0.00 C ATOM 827 O ASN A 59 -6.833 -15.157 -0.893 1.00 0.00 O ATOM 828 CB ASN A 59 -4.558 -14.349 -3.218 1.00 0.00 C ATOM 829 CG ASN A 59 -4.213 -15.784 -2.873 1.00 0.00 C ATOM 830 OD1 ASN A 59 -4.960 -16.463 -2.170 1.00 0.00 O ATOM 831 ND2 ASN A 59 -3.075 -16.256 -3.370 1.00 0.00 N ATOM 0 H ASN A 59 -5.997 -11.915 -2.406 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.689 -14.601 -3.332 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.452 -14.201 -4.293 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.848 -13.680 -2.732 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.792 -17.216 -3.173 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.485 -15.659 -3.949 1.00 0.00 H new