USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 355 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0446 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -48:sc= 0.748 USER MOD Single : A 21 ASN : amide:sc= -0.212 K(o=-0.21,f=-2.5!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 169:sc= 0.0045 (180deg=0.000945) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.790 -17.980 11.689 1.00 0.00 N ATOM 2 CA GLY A 1 -19.261 -19.172 11.008 1.00 0.00 C ATOM 3 C GLY A 1 -18.191 -20.239 10.899 1.00 0.00 C ATOM 4 O GLY A 1 -17.630 -20.671 11.906 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.559 -17.281 11.738 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.486 -18.228 12.652 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.987 -17.576 11.166 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.120 -19.577 11.543 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.605 -18.904 10.009 1.00 0.00 H new ATOM 8 N SER A 2 -17.907 -20.667 9.673 1.00 0.00 N ATOM 9 CA SER A 2 -16.900 -21.694 9.436 1.00 0.00 C ATOM 10 C SER A 2 -15.543 -21.066 9.133 1.00 0.00 C ATOM 11 O SER A 2 -15.442 -20.136 8.333 1.00 0.00 O ATOM 12 CB SER A 2 -17.326 -22.598 8.277 1.00 0.00 C ATOM 13 OG SER A 2 -17.306 -21.894 7.047 1.00 0.00 O ATOM 0 H SER A 2 -18.360 -20.318 8.828 1.00 0.00 H new ATOM 0 HA SER A 2 -16.809 -22.294 10.342 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.659 -23.458 8.218 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.328 -22.984 8.462 1.00 0.00 H new ATOM 0 HG SER A 2 -17.580 -22.494 6.322 1.00 0.00 H new ATOM 19 N SER A 3 -14.502 -21.581 9.779 1.00 0.00 N ATOM 20 CA SER A 3 -13.151 -21.069 9.583 1.00 0.00 C ATOM 21 C SER A 3 -12.135 -22.208 9.567 1.00 0.00 C ATOM 22 O SER A 3 -12.475 -23.361 9.828 1.00 0.00 O ATOM 23 CB SER A 3 -12.796 -20.070 10.686 1.00 0.00 C ATOM 24 OG SER A 3 -11.638 -19.326 10.348 1.00 0.00 O ATOM 0 H SER A 3 -14.568 -22.353 10.443 1.00 0.00 H new ATOM 0 HA SER A 3 -13.118 -20.562 8.619 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.633 -19.391 10.849 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.630 -20.602 11.623 1.00 0.00 H new ATOM 0 HG SER A 3 -11.434 -18.694 11.068 1.00 0.00 H new ATOM 30 N GLY A 4 -10.886 -21.874 9.258 1.00 0.00 N ATOM 31 CA GLY A 4 -9.839 -22.878 9.213 1.00 0.00 C ATOM 32 C GLY A 4 -8.776 -22.562 8.179 1.00 0.00 C ATOM 33 O GLY A 4 -7.582 -22.601 8.475 1.00 0.00 O ATOM 0 H GLY A 4 -10.580 -20.926 9.038 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.374 -22.957 10.195 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.281 -23.849 8.990 1.00 0.00 H new ATOM 37 N SER A 5 -9.211 -22.249 6.962 1.00 0.00 N ATOM 38 CA SER A 5 -8.288 -21.931 5.879 1.00 0.00 C ATOM 39 C SER A 5 -7.352 -20.794 6.280 1.00 0.00 C ATOM 40 O SER A 5 -6.132 -20.911 6.168 1.00 0.00 O ATOM 41 CB SER A 5 -9.062 -21.548 4.617 1.00 0.00 C ATOM 42 OG SER A 5 -9.450 -22.700 3.888 1.00 0.00 O ATOM 0 H SER A 5 -10.196 -22.209 6.702 1.00 0.00 H new ATOM 0 HA SER A 5 -7.688 -22.818 5.673 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.946 -20.971 4.890 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.444 -20.907 3.988 1.00 0.00 H new ATOM 0 HG SER A 5 -9.945 -22.429 3.087 1.00 0.00 H new ATOM 48 N SER A 6 -7.934 -19.694 6.747 1.00 0.00 N ATOM 49 CA SER A 6 -7.154 -18.533 7.161 1.00 0.00 C ATOM 50 C SER A 6 -6.163 -18.908 8.258 1.00 0.00 C ATOM 51 O SER A 6 -6.552 -19.210 9.385 1.00 0.00 O ATOM 52 CB SER A 6 -8.080 -17.419 7.653 1.00 0.00 C ATOM 53 OG SER A 6 -8.836 -16.875 6.585 1.00 0.00 O ATOM 0 H SER A 6 -8.943 -19.582 6.848 1.00 0.00 H new ATOM 0 HA SER A 6 -6.594 -18.175 6.297 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.753 -17.811 8.416 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.490 -16.632 8.123 1.00 0.00 H new ATOM 0 HG SER A 6 -9.421 -16.166 6.926 1.00 0.00 H new ATOM 59 N GLY A 7 -4.877 -18.887 7.918 1.00 0.00 N ATOM 60 CA GLY A 7 -3.849 -19.226 8.883 1.00 0.00 C ATOM 61 C GLY A 7 -2.620 -18.348 8.754 1.00 0.00 C ATOM 62 O GLY A 7 -2.130 -17.805 9.745 1.00 0.00 O ATOM 0 H GLY A 7 -4.530 -18.641 6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.255 -19.131 9.890 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.562 -20.269 8.752 1.00 0.00 H new ATOM 66 N ASP A 8 -2.119 -18.210 7.532 1.00 0.00 N ATOM 67 CA ASP A 8 -0.939 -17.393 7.276 1.00 0.00 C ATOM 68 C ASP A 8 -1.280 -16.215 6.369 1.00 0.00 C ATOM 69 O ASP A 8 -1.659 -16.400 5.213 1.00 0.00 O ATOM 70 CB ASP A 8 0.166 -18.239 6.642 1.00 0.00 C ATOM 71 CG ASP A 8 0.873 -19.120 7.653 1.00 0.00 C ATOM 72 OD1 ASP A 8 0.301 -20.162 8.034 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.998 -18.767 8.064 1.00 0.00 O ATOM 0 H ASP A 8 -2.512 -18.654 6.702 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.584 -17.003 8.230 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.263 -18.863 5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.894 -17.583 6.165 1.00 0.00 H new ATOM 78 N GLU A 9 -1.143 -15.005 6.901 1.00 0.00 N ATOM 79 CA GLU A 9 -1.438 -13.797 6.139 1.00 0.00 C ATOM 80 C GLU A 9 -0.335 -13.510 5.125 1.00 0.00 C ATOM 81 O GLU A 9 0.761 -14.063 5.211 1.00 0.00 O ATOM 82 CB GLU A 9 -1.606 -12.602 7.079 1.00 0.00 C ATOM 83 CG GLU A 9 -0.384 -12.328 7.939 1.00 0.00 C ATOM 84 CD GLU A 9 -0.339 -13.195 9.182 1.00 0.00 C ATOM 85 OE1 GLU A 9 -1.332 -13.198 9.939 1.00 0.00 O ATOM 86 OE2 GLU A 9 0.689 -13.870 9.398 1.00 0.00 O ATOM 0 H GLU A 9 -0.830 -14.835 7.857 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.371 -13.958 5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.830 -11.714 6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.464 -12.778 7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.516 -12.498 7.349 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.379 -11.278 8.232 1.00 0.00 H new ATOM 93 N GLY A 10 -0.633 -12.641 4.164 1.00 0.00 N ATOM 94 CA GLY A 10 0.343 -12.296 3.147 1.00 0.00 C ATOM 95 C GLY A 10 -0.301 -11.941 1.822 1.00 0.00 C ATOM 96 O GLY A 10 -0.043 -10.874 1.264 1.00 0.00 O ATOM 0 H GLY A 10 -1.533 -12.170 4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.942 -11.454 3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.025 -13.134 3.003 1.00 0.00 H new ATOM 100 N TYR A 11 -1.141 -12.836 1.315 1.00 0.00 N ATOM 101 CA TYR A 11 -1.822 -12.614 0.045 1.00 0.00 C ATOM 102 C TYR A 11 -2.878 -11.521 0.177 1.00 0.00 C ATOM 103 O TYR A 11 -3.614 -11.470 1.162 1.00 0.00 O ATOM 104 CB TYR A 11 -2.471 -13.910 -0.444 1.00 0.00 C ATOM 105 CG TYR A 11 -3.793 -14.214 0.223 1.00 0.00 C ATOM 106 CD1 TYR A 11 -3.841 -14.750 1.503 1.00 0.00 C ATOM 107 CD2 TYR A 11 -4.995 -13.965 -0.428 1.00 0.00 C ATOM 108 CE1 TYR A 11 -5.047 -15.030 2.116 1.00 0.00 C ATOM 109 CE2 TYR A 11 -6.206 -14.240 0.177 1.00 0.00 C ATOM 110 CZ TYR A 11 -6.227 -14.773 1.449 1.00 0.00 C ATOM 111 OH TYR A 11 -7.431 -15.050 2.055 1.00 0.00 O ATOM 0 H TYR A 11 -1.367 -13.723 1.765 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.079 -12.290 -0.684 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.623 -13.846 -1.521 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.785 -14.739 -0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.919 -14.952 2.029 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -4.982 -13.549 -1.425 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -5.066 -15.448 3.112 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.131 -14.039 -0.343 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.164 -14.810 1.451 1.00 0.00 H new ATOM 121 N TRP A 12 -2.946 -10.650 -0.823 1.00 0.00 N ATOM 122 CA TRP A 12 -3.913 -9.558 -0.821 1.00 0.00 C ATOM 123 C TRP A 12 -4.872 -9.677 -2.000 1.00 0.00 C ATOM 124 O TRP A 12 -4.446 -9.781 -3.150 1.00 0.00 O ATOM 125 CB TRP A 12 -3.191 -8.211 -0.869 1.00 0.00 C ATOM 126 CG TRP A 12 -2.229 -8.093 -2.013 1.00 0.00 C ATOM 127 CD1 TRP A 12 -1.000 -8.678 -2.114 1.00 0.00 C ATOM 128 CD2 TRP A 12 -2.418 -7.341 -3.217 1.00 0.00 C ATOM 129 NE1 TRP A 12 -0.412 -8.336 -3.308 1.00 0.00 N ATOM 130 CE2 TRP A 12 -1.262 -7.517 -4.003 1.00 0.00 C ATOM 131 CE3 TRP A 12 -3.451 -6.538 -3.708 1.00 0.00 C ATOM 132 CZ2 TRP A 12 -1.113 -6.918 -5.251 1.00 0.00 C ATOM 133 CZ3 TRP A 12 -3.301 -5.944 -4.947 1.00 0.00 C ATOM 134 CH2 TRP A 12 -2.140 -6.137 -5.707 1.00 0.00 C ATOM 0 H TRP A 12 -2.343 -10.678 -1.645 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.492 -9.620 0.101 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -3.930 -7.413 -0.941 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.652 -8.062 0.067 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.555 -9.316 -1.365 1.00 0.00 H new ATOM 0 HE1 TRP A 12 0.508 -8.642 -3.625 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.350 -6.384 -3.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -0.219 -7.065 -5.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.092 -5.320 -5.336 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.054 -5.660 -6.672 1.00 0.00 H new ATOM 145 N ASP A 13 -6.168 -9.661 -1.707 1.00 0.00 N ATOM 146 CA ASP A 13 -7.188 -9.766 -2.744 1.00 0.00 C ATOM 147 C ASP A 13 -7.331 -8.449 -3.500 1.00 0.00 C ATOM 148 O ASP A 13 -7.447 -7.383 -2.895 1.00 0.00 O ATOM 149 CB ASP A 13 -8.530 -10.166 -2.130 1.00 0.00 C ATOM 150 CG ASP A 13 -9.290 -8.977 -1.576 1.00 0.00 C ATOM 151 OD1 ASP A 13 -9.772 -8.152 -2.381 1.00 0.00 O ATOM 152 OD2 ASP A 13 -9.402 -8.871 -0.337 1.00 0.00 O ATOM 0 H ASP A 13 -6.537 -9.576 -0.760 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.877 -10.536 -3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.139 -10.662 -2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.360 -10.889 -1.332 1.00 0.00 H new ATOM 157 N CYS A 14 -7.323 -8.530 -4.826 1.00 0.00 N ATOM 158 CA CYS A 14 -7.451 -7.345 -5.666 1.00 0.00 C ATOM 159 C CYS A 14 -8.909 -6.909 -5.773 1.00 0.00 C ATOM 160 O CYS A 14 -9.822 -7.677 -5.467 1.00 0.00 O ATOM 161 CB CYS A 14 -6.886 -7.620 -7.061 1.00 0.00 C ATOM 162 SG CYS A 14 -6.900 -6.172 -8.167 1.00 0.00 S ATOM 0 H CYS A 14 -7.229 -9.405 -5.343 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.882 -6.539 -5.203 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.861 -7.979 -6.962 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.461 -8.422 -7.523 1.00 0.00 H new ATOM 167 N SER A 15 -9.121 -5.671 -6.209 1.00 0.00 N ATOM 168 CA SER A 15 -10.467 -5.131 -6.353 1.00 0.00 C ATOM 169 C SER A 15 -10.797 -4.878 -7.821 1.00 0.00 C ATOM 170 O SER A 15 -11.951 -4.984 -8.238 1.00 0.00 O ATOM 171 CB SER A 15 -10.606 -3.832 -5.557 1.00 0.00 C ATOM 172 OG SER A 15 -11.959 -3.415 -5.495 1.00 0.00 O ATOM 0 H SER A 15 -8.377 -5.023 -6.469 1.00 0.00 H new ATOM 0 HA SER A 15 -11.170 -5.866 -5.962 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.220 -3.977 -4.548 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.002 -3.051 -6.020 1.00 0.00 H new ATOM 0 HG SER A 15 -12.022 -2.584 -4.980 1.00 0.00 H new ATOM 178 N VAL A 16 -9.775 -4.543 -8.602 1.00 0.00 N ATOM 179 CA VAL A 16 -9.954 -4.276 -10.024 1.00 0.00 C ATOM 180 C VAL A 16 -10.281 -5.555 -10.787 1.00 0.00 C ATOM 181 O VAL A 16 -11.362 -5.689 -11.360 1.00 0.00 O ATOM 182 CB VAL A 16 -8.695 -3.633 -10.637 1.00 0.00 C ATOM 183 CG1 VAL A 16 -8.882 -3.411 -12.130 1.00 0.00 C ATOM 184 CG2 VAL A 16 -8.369 -2.325 -9.933 1.00 0.00 C ATOM 0 H VAL A 16 -8.814 -4.450 -8.274 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.788 -3.580 -10.113 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.856 -4.314 -10.497 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.983 -2.956 -12.546 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.065 -4.367 -12.620 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.733 -2.750 -12.296 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.477 -1.884 -10.379 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.206 -1.636 -10.040 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.189 -2.516 -8.875 1.00 0.00 H new ATOM 194 N CYS A 17 -9.340 -6.493 -10.789 1.00 0.00 N ATOM 195 CA CYS A 17 -9.526 -7.762 -11.481 1.00 0.00 C ATOM 196 C CYS A 17 -9.833 -8.882 -10.490 1.00 0.00 C ATOM 197 O CYS A 17 -9.853 -10.059 -10.852 1.00 0.00 O ATOM 198 CB CYS A 17 -8.278 -8.112 -12.293 1.00 0.00 C ATOM 199 SG CYS A 17 -6.801 -8.446 -11.280 1.00 0.00 S ATOM 0 H CYS A 17 -8.440 -6.398 -10.318 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.374 -7.657 -12.158 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.490 -8.988 -12.906 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.059 -7.291 -12.975 1.00 0.00 H new ATOM 204 N THR A 18 -10.071 -8.507 -9.237 1.00 0.00 N ATOM 205 CA THR A 18 -10.376 -9.478 -8.194 1.00 0.00 C ATOM 206 C THR A 18 -9.441 -10.679 -8.271 1.00 0.00 C ATOM 207 O THR A 18 -9.827 -11.801 -7.942 1.00 0.00 O ATOM 208 CB THR A 18 -11.833 -9.968 -8.290 1.00 0.00 C ATOM 209 OG1 THR A 18 -12.151 -10.785 -7.158 1.00 0.00 O ATOM 210 CG2 THR A 18 -12.053 -10.759 -9.571 1.00 0.00 C ATOM 0 H THR A 18 -10.058 -7.538 -8.920 1.00 0.00 H new ATOM 0 HA THR A 18 -10.234 -8.971 -7.239 1.00 0.00 H new ATOM 0 HB THR A 18 -12.487 -9.096 -8.302 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.441 -11.447 -7.023 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.089 -11.095 -9.618 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.838 -10.125 -10.431 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.390 -11.624 -9.583 1.00 0.00 H new ATOM 218 N PHE A 19 -8.209 -10.438 -8.708 1.00 0.00 N ATOM 219 CA PHE A 19 -7.219 -11.501 -8.828 1.00 0.00 C ATOM 220 C PHE A 19 -6.529 -11.756 -7.491 1.00 0.00 C ATOM 221 O PHE A 19 -6.692 -10.991 -6.540 1.00 0.00 O ATOM 222 CB PHE A 19 -6.178 -11.139 -9.890 1.00 0.00 C ATOM 223 CG PHE A 19 -5.121 -12.190 -10.075 1.00 0.00 C ATOM 224 CD1 PHE A 19 -5.450 -13.445 -10.561 1.00 0.00 C ATOM 225 CD2 PHE A 19 -3.797 -11.922 -9.764 1.00 0.00 C ATOM 226 CE1 PHE A 19 -4.479 -14.413 -10.732 1.00 0.00 C ATOM 227 CE2 PHE A 19 -2.822 -12.887 -9.933 1.00 0.00 C ATOM 228 CZ PHE A 19 -3.163 -14.134 -10.419 1.00 0.00 C ATOM 0 H PHE A 19 -7.873 -9.516 -8.985 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.736 -12.412 -9.130 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.684 -10.972 -10.841 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.700 -10.199 -9.614 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.477 -13.669 -10.809 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.524 -10.948 -9.385 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.749 -15.388 -11.110 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.794 -12.666 -9.685 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.403 -14.889 -10.554 1.00 0.00 H new ATOM 238 N ARG A 20 -5.760 -12.838 -7.426 1.00 0.00 N ATOM 239 CA ARG A 20 -5.047 -13.196 -6.206 1.00 0.00 C ATOM 240 C ARG A 20 -3.550 -12.938 -6.354 1.00 0.00 C ATOM 241 O ARG A 20 -2.948 -13.290 -7.368 1.00 0.00 O ATOM 242 CB ARG A 20 -5.290 -14.667 -5.861 1.00 0.00 C ATOM 243 CG ARG A 20 -5.120 -14.982 -4.384 1.00 0.00 C ATOM 244 CD ARG A 20 -6.433 -14.846 -3.630 1.00 0.00 C ATOM 245 NE ARG A 20 -7.207 -16.085 -3.650 1.00 0.00 N ATOM 246 CZ ARG A 20 -6.912 -17.148 -2.910 1.00 0.00 C ATOM 247 NH1 ARG A 20 -5.866 -17.123 -2.095 1.00 0.00 N ATOM 248 NH2 ARG A 20 -7.664 -18.239 -2.984 1.00 0.00 N ATOM 0 H ARG A 20 -5.615 -13.482 -8.204 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.427 -12.572 -5.397 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.299 -14.942 -6.169 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.602 -15.285 -6.437 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.737 -15.996 -4.269 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.379 -14.310 -3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.230 -14.562 -2.597 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.023 -14.043 -4.072 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.018 -16.137 -4.266 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.286 -16.286 -2.035 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.642 -17.941 -1.528 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.469 -18.262 -3.610 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.437 -19.055 -2.415 1.00 0.00 H new ATOM 262 N ASN A 21 -2.958 -12.321 -5.337 1.00 0.00 N ATOM 263 CA ASN A 21 -1.532 -12.015 -5.355 1.00 0.00 C ATOM 264 C ASN A 21 -0.884 -12.364 -4.019 1.00 0.00 C ATOM 265 O ASN A 21 -1.568 -12.716 -3.058 1.00 0.00 O ATOM 266 CB ASN A 21 -1.311 -10.535 -5.671 1.00 0.00 C ATOM 267 CG ASN A 21 -2.168 -10.056 -6.827 1.00 0.00 C ATOM 268 OD1 ASN A 21 -1.917 -10.395 -7.983 1.00 0.00 O ATOM 269 ND2 ASN A 21 -3.188 -9.263 -6.518 1.00 0.00 N ATOM 0 H ASN A 21 -3.443 -12.023 -4.491 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.066 -12.619 -6.133 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.535 -9.940 -4.786 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.260 -10.370 -5.909 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.800 -8.910 -7.253 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.359 -9.007 -5.545 1.00 0.00 H new ATOM 276 N SER A 22 0.441 -12.262 -3.965 1.00 0.00 N ATOM 277 CA SER A 22 1.182 -12.570 -2.748 1.00 0.00 C ATOM 278 C SER A 22 1.778 -11.303 -2.141 1.00 0.00 C ATOM 279 O SER A 22 2.088 -10.347 -2.851 1.00 0.00 O ATOM 280 CB SER A 22 2.293 -13.579 -3.043 1.00 0.00 C ATOM 281 OG SER A 22 1.767 -14.885 -3.202 1.00 0.00 O ATOM 0 H SER A 22 1.022 -11.969 -4.750 1.00 0.00 H new ATOM 0 HA SER A 22 0.488 -13.006 -2.029 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.825 -13.285 -3.948 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.019 -13.573 -2.230 1.00 0.00 H new ATOM 0 HG SER A 22 2.497 -15.511 -3.391 1.00 0.00 H new ATOM 287 N ALA A 23 1.936 -11.305 -0.821 1.00 0.00 N ATOM 288 CA ALA A 23 2.497 -10.158 -0.117 1.00 0.00 C ATOM 289 C ALA A 23 3.726 -9.618 -0.840 1.00 0.00 C ATOM 290 O ALA A 23 3.758 -8.457 -1.246 1.00 0.00 O ATOM 291 CB ALA A 23 2.847 -10.537 1.314 1.00 0.00 C ATOM 0 H ALA A 23 1.683 -12.088 -0.218 1.00 0.00 H new ATOM 0 HA ALA A 23 1.744 -9.370 -0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.265 -9.671 1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.947 -10.868 1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.580 -11.344 1.308 1.00 0.00 H new ATOM 297 N GLU A 24 4.737 -10.469 -0.996 1.00 0.00 N ATOM 298 CA GLU A 24 5.969 -10.075 -1.668 1.00 0.00 C ATOM 299 C GLU A 24 5.668 -9.244 -2.912 1.00 0.00 C ATOM 300 O GLU A 24 6.380 -8.289 -3.221 1.00 0.00 O ATOM 301 CB GLU A 24 6.785 -11.311 -2.051 1.00 0.00 C ATOM 302 CG GLU A 24 6.066 -12.239 -3.016 1.00 0.00 C ATOM 303 CD GLU A 24 6.995 -13.259 -3.645 1.00 0.00 C ATOM 304 OE1 GLU A 24 7.598 -12.945 -4.693 1.00 0.00 O ATOM 305 OE2 GLU A 24 7.118 -14.372 -3.091 1.00 0.00 O ATOM 0 H GLU A 24 4.726 -11.434 -0.666 1.00 0.00 H new ATOM 0 HA GLU A 24 6.551 -9.465 -0.977 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.725 -10.991 -2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.036 -11.865 -1.146 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.267 -12.758 -2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.597 -11.647 -3.802 1.00 0.00 H new ATOM 312 N ALA A 25 4.609 -9.616 -3.623 1.00 0.00 N ATOM 313 CA ALA A 25 4.213 -8.906 -4.833 1.00 0.00 C ATOM 314 C ALA A 25 3.915 -7.440 -4.536 1.00 0.00 C ATOM 315 O ALA A 25 2.962 -7.122 -3.825 1.00 0.00 O ATOM 316 CB ALA A 25 3.001 -9.575 -5.465 1.00 0.00 C ATOM 0 H ALA A 25 4.010 -10.405 -3.382 1.00 0.00 H new ATOM 0 HA ALA A 25 5.044 -8.946 -5.537 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.716 -9.034 -6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.247 -10.605 -5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.171 -9.565 -4.759 1.00 0.00 H new ATOM 322 N PHE A 26 4.737 -6.552 -5.084 1.00 0.00 N ATOM 323 CA PHE A 26 4.563 -5.119 -4.877 1.00 0.00 C ATOM 324 C PHE A 26 3.188 -4.663 -5.358 1.00 0.00 C ATOM 325 O PHE A 26 2.496 -3.910 -4.672 1.00 0.00 O ATOM 326 CB PHE A 26 5.656 -4.339 -5.609 1.00 0.00 C ATOM 327 CG PHE A 26 5.838 -4.762 -7.039 1.00 0.00 C ATOM 328 CD1 PHE A 26 6.606 -5.871 -7.355 1.00 0.00 C ATOM 329 CD2 PHE A 26 5.242 -4.050 -8.067 1.00 0.00 C ATOM 330 CE1 PHE A 26 6.776 -6.262 -8.670 1.00 0.00 C ATOM 331 CE2 PHE A 26 5.408 -4.436 -9.384 1.00 0.00 C ATOM 332 CZ PHE A 26 6.175 -5.544 -9.685 1.00 0.00 C ATOM 0 H PHE A 26 5.531 -6.799 -5.675 1.00 0.00 H new ATOM 0 HA PHE A 26 4.639 -4.920 -3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.414 -3.277 -5.581 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.599 -4.466 -5.078 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.077 -6.437 -6.565 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.641 -3.183 -7.837 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.378 -7.128 -8.903 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.938 -3.872 -10.176 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.305 -5.849 -10.713 1.00 0.00 H new ATOM 342 N LYS A 27 2.799 -5.124 -6.542 1.00 0.00 N ATOM 343 CA LYS A 27 1.508 -4.766 -7.116 1.00 0.00 C ATOM 344 C LYS A 27 0.876 -5.962 -7.822 1.00 0.00 C ATOM 345 O LYS A 27 1.520 -6.993 -8.016 1.00 0.00 O ATOM 346 CB LYS A 27 1.669 -3.606 -8.101 1.00 0.00 C ATOM 347 CG LYS A 27 2.262 -2.355 -7.476 1.00 0.00 C ATOM 348 CD LYS A 27 2.861 -1.437 -8.528 1.00 0.00 C ATOM 349 CE LYS A 27 1.789 -0.861 -9.441 1.00 0.00 C ATOM 350 NZ LYS A 27 2.359 0.090 -10.435 1.00 0.00 N ATOM 0 H LYS A 27 3.360 -5.747 -7.123 1.00 0.00 H new ATOM 0 HA LYS A 27 0.850 -4.457 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.305 -3.927 -8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.695 -3.363 -8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.489 -1.821 -6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.031 -2.636 -6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.399 -0.625 -8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.589 -1.989 -9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.283 -1.673 -9.964 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.036 -0.350 -8.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.597 0.460 -11.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.820 0.878 -9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.059 -0.403 -11.025 1.00 0.00 H new ATOM 364 N CYS A 28 -0.388 -5.817 -8.205 1.00 0.00 N ATOM 365 CA CYS A 28 -1.107 -6.884 -8.891 1.00 0.00 C ATOM 366 C CYS A 28 -0.315 -7.388 -10.093 1.00 0.00 C ATOM 367 O CYS A 28 0.591 -6.713 -10.580 1.00 0.00 O ATOM 368 CB CYS A 28 -2.483 -6.391 -9.342 1.00 0.00 C ATOM 369 SG CYS A 28 -3.752 -7.696 -9.416 1.00 0.00 S ATOM 0 H CYS A 28 -0.936 -4.970 -8.052 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.236 -7.710 -8.192 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -2.819 -5.610 -8.660 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.389 -5.934 -10.327 1.00 0.00 H new ATOM 374 N MET A 29 -0.665 -8.579 -10.568 1.00 0.00 N ATOM 375 CA MET A 29 0.012 -9.174 -11.715 1.00 0.00 C ATOM 376 C MET A 29 -0.938 -9.300 -12.901 1.00 0.00 C ATOM 377 O MET A 29 -0.516 -9.239 -14.055 1.00 0.00 O ATOM 378 CB MET A 29 0.573 -10.549 -11.347 1.00 0.00 C ATOM 379 CG MET A 29 1.721 -10.995 -12.237 1.00 0.00 C ATOM 380 SD MET A 29 2.143 -12.733 -12.008 1.00 0.00 S ATOM 381 CE MET A 29 3.812 -12.595 -11.373 1.00 0.00 C ATOM 0 H MET A 29 -1.413 -9.151 -10.177 1.00 0.00 H new ATOM 0 HA MET A 29 0.835 -8.519 -12.000 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.914 -10.528 -10.312 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.228 -11.286 -11.404 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.454 -10.824 -13.280 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.597 -10.382 -12.028 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.212 -13.591 -11.181 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.439 -12.087 -12.106 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.802 -12.023 -10.445 1.00 0.00 H new ATOM 391 N MET A 30 -2.223 -9.477 -12.609 1.00 0.00 N ATOM 392 CA MET A 30 -3.232 -9.611 -13.653 1.00 0.00 C ATOM 393 C MET A 30 -3.527 -8.262 -14.301 1.00 0.00 C ATOM 394 O MET A 30 -3.284 -8.068 -15.492 1.00 0.00 O ATOM 395 CB MET A 30 -4.519 -10.204 -13.075 1.00 0.00 C ATOM 396 CG MET A 30 -5.777 -9.737 -13.788 1.00 0.00 C ATOM 397 SD MET A 30 -5.801 -10.201 -15.530 1.00 0.00 S ATOM 398 CE MET A 30 -7.019 -9.053 -16.169 1.00 0.00 C ATOM 0 H MET A 30 -2.589 -9.531 -11.659 1.00 0.00 H new ATOM 0 HA MET A 30 -2.841 -10.283 -14.417 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.464 -11.291 -13.128 1.00 0.00 H new ATOM 0 HB3 MET A 30 -4.590 -9.939 -12.020 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.650 -10.160 -13.291 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.857 -8.653 -13.704 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.146 -9.216 -17.239 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.971 -9.213 -15.662 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.682 -8.031 -15.995 1.00 0.00 H new ATOM 408 N CYS A 31 -4.052 -7.332 -13.510 1.00 0.00 N ATOM 409 CA CYS A 31 -4.380 -6.002 -14.006 1.00 0.00 C ATOM 410 C CYS A 31 -3.212 -5.041 -13.803 1.00 0.00 C ATOM 411 O CYS A 31 -3.161 -3.971 -14.409 1.00 0.00 O ATOM 412 CB CYS A 31 -5.626 -5.464 -13.298 1.00 0.00 C ATOM 413 SG CYS A 31 -5.373 -5.083 -11.535 1.00 0.00 S ATOM 0 H CYS A 31 -4.259 -7.476 -12.522 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.581 -6.080 -15.074 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.960 -4.561 -13.809 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.427 -6.197 -13.389 1.00 0.00 H new ATOM 418 N ASP A 32 -2.275 -5.432 -12.946 1.00 0.00 N ATOM 419 CA ASP A 32 -1.106 -4.607 -12.663 1.00 0.00 C ATOM 420 C ASP A 32 -1.516 -3.283 -12.026 1.00 0.00 C ATOM 421 O ASP A 32 -0.979 -2.227 -12.364 1.00 0.00 O ATOM 422 CB ASP A 32 -0.316 -4.347 -13.947 1.00 0.00 C ATOM 423 CG ASP A 32 0.624 -5.486 -14.289 1.00 0.00 C ATOM 424 OD1 ASP A 32 0.147 -6.634 -14.406 1.00 0.00 O ATOM 425 OD2 ASP A 32 1.838 -5.230 -14.438 1.00 0.00 O ATOM 0 H ASP A 32 -2.302 -6.315 -12.435 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.473 -5.147 -11.959 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.011 -4.193 -14.773 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.258 -3.427 -13.837 1.00 0.00 H new ATOM 430 N VAL A 33 -2.472 -3.346 -11.104 1.00 0.00 N ATOM 431 CA VAL A 33 -2.954 -2.152 -10.421 1.00 0.00 C ATOM 432 C VAL A 33 -2.303 -2.004 -9.050 1.00 0.00 C ATOM 433 O VAL A 33 -2.227 -2.962 -8.281 1.00 0.00 O ATOM 434 CB VAL A 33 -4.484 -2.183 -10.250 1.00 0.00 C ATOM 435 CG1 VAL A 33 -4.876 -3.109 -9.107 1.00 0.00 C ATOM 436 CG2 VAL A 33 -5.023 -0.780 -10.018 1.00 0.00 C ATOM 0 H VAL A 33 -2.927 -4.211 -10.813 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.683 -1.299 -11.043 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.926 -2.570 -11.168 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.961 -3.118 -9.002 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.524 -4.118 -9.319 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.424 -2.755 -8.180 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.106 -0.821 -9.899 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.575 -0.363 -9.116 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.775 -0.149 -10.872 1.00 0.00 H new ATOM 446 N ARG A 34 -1.836 -0.796 -8.751 1.00 0.00 N ATOM 447 CA ARG A 34 -1.191 -0.521 -7.472 1.00 0.00 C ATOM 448 C ARG A 34 -2.115 -0.876 -6.310 1.00 0.00 C ATOM 449 O ARG A 34 -3.329 -0.689 -6.388 1.00 0.00 O ATOM 450 CB ARG A 34 -0.788 0.952 -7.386 1.00 0.00 C ATOM 451 CG ARG A 34 0.404 1.205 -6.477 1.00 0.00 C ATOM 452 CD ARG A 34 0.336 2.585 -5.842 1.00 0.00 C ATOM 453 NE ARG A 34 -0.361 2.563 -4.558 1.00 0.00 N ATOM 454 CZ ARG A 34 -1.075 3.581 -4.092 1.00 0.00 C ATOM 455 NH1 ARG A 34 -1.187 4.696 -4.800 1.00 0.00 N ATOM 456 NH2 ARG A 34 -1.680 3.485 -2.915 1.00 0.00 N ATOM 0 H ARG A 34 -1.892 0.008 -9.377 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.296 -1.140 -7.404 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.555 1.315 -8.387 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.638 1.532 -7.027 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.436 0.445 -5.696 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.326 1.112 -7.050 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.346 2.969 -5.700 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.173 3.271 -6.519 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.296 1.719 -3.988 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.724 4.774 -5.706 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.736 5.476 -4.439 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.597 2.629 -2.367 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.228 4.268 -2.558 1.00 0.00 H new ATOM 470 N LYS A 35 -1.531 -1.389 -5.233 1.00 0.00 N ATOM 471 CA LYS A 35 -2.299 -1.769 -4.053 1.00 0.00 C ATOM 472 C LYS A 35 -2.029 -0.813 -2.896 1.00 0.00 C ATOM 473 O LYS A 35 -2.932 -0.477 -2.131 1.00 0.00 O ATOM 474 CB LYS A 35 -1.957 -3.201 -3.636 1.00 0.00 C ATOM 475 CG LYS A 35 -0.741 -3.297 -2.730 1.00 0.00 C ATOM 476 CD LYS A 35 -0.654 -4.655 -2.056 1.00 0.00 C ATOM 477 CE LYS A 35 -1.387 -4.665 -0.723 1.00 0.00 C ATOM 478 NZ LYS A 35 -0.797 -5.647 0.228 1.00 0.00 N ATOM 0 H LYS A 35 -0.527 -1.551 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.358 -1.714 -4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.816 -3.637 -3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.781 -3.799 -4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.163 -3.121 -3.313 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.789 -2.516 -1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.079 -5.415 -2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.392 -4.918 -1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.354 -3.668 -0.283 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.437 -4.905 -0.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.197 -5.496 1.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.016 -6.613 -0.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.235 -5.520 0.263 1.00 0.00 H new ATOM 492 N GLY A 36 -0.779 -0.376 -2.774 1.00 0.00 N ATOM 493 CA GLY A 36 -0.413 0.538 -1.708 1.00 0.00 C ATOM 494 C GLY A 36 0.520 -0.096 -0.695 1.00 0.00 C ATOM 495 O GLY A 36 1.258 -1.028 -1.016 1.00 0.00 O ATOM 0 H GLY A 36 -0.013 -0.639 -3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.066 1.418 -2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.315 0.881 -1.202 1.00 0.00 H new ATOM 499 N THR A 37 0.489 0.411 0.533 1.00 0.00 N ATOM 500 CA THR A 37 1.339 -0.109 1.596 1.00 0.00 C ATOM 501 C THR A 37 0.640 -1.225 2.363 1.00 0.00 C ATOM 502 O THR A 37 -0.585 -1.238 2.481 1.00 0.00 O ATOM 503 CB THR A 37 1.746 1.001 2.585 1.00 0.00 C ATOM 504 OG1 THR A 37 2.226 2.143 1.868 1.00 0.00 O ATOM 505 CG2 THR A 37 2.821 0.507 3.541 1.00 0.00 C ATOM 0 H THR A 37 -0.116 1.182 0.816 1.00 0.00 H new ATOM 0 HA THR A 37 2.235 -0.506 1.118 1.00 0.00 H new ATOM 0 HB THR A 37 0.867 1.280 3.166 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.481 2.845 2.503 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.092 1.308 4.229 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.442 -0.344 4.106 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.701 0.203 2.974 1.00 0.00 H new ATOM 513 N SER A 38 1.426 -2.162 2.884 1.00 0.00 N ATOM 514 CA SER A 38 0.882 -3.285 3.637 1.00 0.00 C ATOM 515 C SER A 38 0.076 -2.795 4.837 1.00 0.00 C ATOM 516 O SER A 38 0.539 -1.957 5.611 1.00 0.00 O ATOM 517 CB SER A 38 2.009 -4.206 4.108 1.00 0.00 C ATOM 518 OG SER A 38 2.706 -4.763 3.007 1.00 0.00 O ATOM 0 H SER A 38 2.442 -2.165 2.798 1.00 0.00 H new ATOM 0 HA SER A 38 0.218 -3.844 2.978 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.702 -3.646 4.736 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.596 -5.005 4.723 1.00 0.00 H new ATOM 0 HG SER A 38 3.422 -5.346 3.334 1.00 0.00 H new ATOM 524 N THR A 39 -1.135 -3.325 4.984 1.00 0.00 N ATOM 525 CA THR A 39 -2.007 -2.942 6.087 1.00 0.00 C ATOM 526 C THR A 39 -1.417 -3.365 7.428 1.00 0.00 C ATOM 527 O THR A 39 -1.732 -2.785 8.467 1.00 0.00 O ATOM 528 CB THR A 39 -3.409 -3.563 5.937 1.00 0.00 C ATOM 529 OG1 THR A 39 -4.226 -3.205 7.057 1.00 0.00 O ATOM 530 CG2 THR A 39 -3.320 -5.078 5.830 1.00 0.00 C ATOM 0 H THR A 39 -1.533 -4.020 4.353 1.00 0.00 H new ATOM 0 HA THR A 39 -2.094 -1.856 6.058 1.00 0.00 H new ATOM 0 HB THR A 39 -3.859 -3.176 5.023 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.116 -3.602 6.953 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.322 -5.495 5.725 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.722 -5.347 4.959 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.853 -5.479 6.729 1.00 0.00 H new ATOM 538 N ARG A 40 -0.559 -4.380 7.397 1.00 0.00 N ATOM 539 CA ARG A 40 0.075 -4.881 8.610 1.00 0.00 C ATOM 540 C ARG A 40 1.540 -4.460 8.672 1.00 0.00 C ATOM 541 O ARG A 40 2.110 -4.007 7.679 1.00 0.00 O ATOM 542 CB ARG A 40 -0.032 -6.406 8.674 1.00 0.00 C ATOM 543 CG ARG A 40 -1.414 -6.904 9.065 1.00 0.00 C ATOM 544 CD ARG A 40 -1.545 -7.059 10.572 1.00 0.00 C ATOM 545 NE ARG A 40 -2.940 -7.143 10.994 1.00 0.00 N ATOM 546 CZ ARG A 40 -3.684 -6.082 11.288 1.00 0.00 C ATOM 547 NH1 ARG A 40 -3.168 -4.863 11.205 1.00 0.00 N ATOM 548 NH2 ARG A 40 -4.946 -6.239 11.665 1.00 0.00 N ATOM 0 H ARG A 40 -0.287 -4.871 6.545 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.445 -4.451 9.466 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.233 -6.821 7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.697 -6.783 9.391 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.169 -6.206 8.703 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.607 -7.862 8.582 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.015 -7.956 10.892 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.067 -6.213 11.066 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.367 -8.066 11.067 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.198 -4.738 10.915 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.741 -4.050 11.431 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.346 -7.175 11.730 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.516 -5.424 11.890 1.00 0.00 H new ATOM 562 N LYS A 41 2.145 -4.613 9.845 1.00 0.00 N ATOM 563 CA LYS A 41 3.544 -4.249 10.038 1.00 0.00 C ATOM 564 C LYS A 41 4.455 -5.451 9.809 1.00 0.00 C ATOM 565 O LYS A 41 4.212 -6.549 10.310 1.00 0.00 O ATOM 566 CB LYS A 41 3.759 -3.695 11.448 1.00 0.00 C ATOM 567 CG LYS A 41 4.875 -2.669 11.535 1.00 0.00 C ATOM 568 CD LYS A 41 4.529 -1.403 10.768 1.00 0.00 C ATOM 569 CE LYS A 41 5.496 -0.274 11.091 1.00 0.00 C ATOM 570 NZ LYS A 41 6.832 -0.495 10.470 1.00 0.00 N ATOM 0 H LYS A 41 1.688 -4.987 10.677 1.00 0.00 H new ATOM 0 HA LYS A 41 3.797 -3.479 9.309 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.831 -3.241 11.796 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.983 -4.521 12.123 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.063 -2.423 12.580 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.795 -3.096 11.137 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.551 -1.607 9.698 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.513 -1.094 11.013 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.083 0.671 10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.607 -0.189 12.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.463 0.295 10.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.238 -1.384 10.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.729 -0.551 9.437 1.00 0.00 H new ATOM 584 N PRO A 42 5.530 -5.241 9.035 1.00 0.00 N ATOM 585 CA PRO A 42 6.500 -6.295 8.723 1.00 0.00 C ATOM 586 C PRO A 42 7.330 -6.696 9.938 1.00 0.00 C ATOM 587 O PRO A 42 8.327 -7.408 9.812 1.00 0.00 O ATOM 588 CB PRO A 42 7.389 -5.655 7.655 1.00 0.00 C ATOM 589 CG PRO A 42 7.279 -4.189 7.899 1.00 0.00 C ATOM 590 CD PRO A 42 5.882 -3.958 8.404 1.00 0.00 C ATOM 0 HA PRO A 42 6.013 -7.214 8.396 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.421 -5.995 7.743 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.052 -5.916 6.652 1.00 0.00 H new ATOM 0 HG2 PRO A 42 8.018 -3.858 8.629 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.461 -3.626 6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.844 -3.135 9.118 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.198 -3.708 7.593 1.00 0.00 H new ATOM 598 N ARG A 43 6.914 -6.234 11.112 1.00 0.00 N ATOM 599 CA ARG A 43 7.620 -6.544 12.349 1.00 0.00 C ATOM 600 C ARG A 43 6.743 -7.371 13.284 1.00 0.00 C ATOM 601 O ARG A 43 5.606 -7.010 13.590 1.00 0.00 O ATOM 602 CB ARG A 43 8.057 -5.256 13.049 1.00 0.00 C ATOM 603 CG ARG A 43 8.924 -5.492 14.275 1.00 0.00 C ATOM 604 CD ARG A 43 9.738 -4.257 14.627 1.00 0.00 C ATOM 605 NE ARG A 43 10.989 -4.194 13.876 1.00 0.00 N ATOM 606 CZ ARG A 43 12.070 -3.549 14.300 1.00 0.00 C ATOM 607 NH1 ARG A 43 12.053 -2.916 15.465 1.00 0.00 N ATOM 608 NH2 ARG A 43 13.171 -3.537 13.560 1.00 0.00 N ATOM 0 H ARG A 43 6.091 -5.643 11.233 1.00 0.00 H new ATOM 0 HA ARG A 43 8.504 -7.130 12.096 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.606 -4.636 12.340 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.171 -4.694 13.344 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.293 -5.767 15.121 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.595 -6.331 14.092 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.148 -3.364 14.424 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.956 -4.259 15.695 1.00 0.00 H new ATOM 0 HE ARG A 43 11.035 -4.672 12.976 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.209 -2.924 16.037 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.884 -2.421 15.789 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.188 -4.024 12.664 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.000 -3.041 13.887 1.00 0.00 H new ATOM 622 N PRO A 44 7.280 -8.509 13.749 1.00 0.00 N ATOM 623 CA PRO A 44 6.564 -9.411 14.656 1.00 0.00 C ATOM 624 C PRO A 44 6.384 -8.812 16.047 1.00 0.00 C ATOM 625 O PRO A 44 7.181 -7.982 16.484 1.00 0.00 O ATOM 626 CB PRO A 44 7.468 -10.644 14.717 1.00 0.00 C ATOM 627 CG PRO A 44 8.830 -10.131 14.398 1.00 0.00 C ATOM 628 CD PRO A 44 8.630 -9.002 13.426 1.00 0.00 C ATOM 0 HA PRO A 44 5.554 -9.624 14.306 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.440 -11.107 15.703 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.153 -11.402 14.000 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.338 -9.785 15.299 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.450 -10.915 13.963 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.383 -8.224 13.553 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.696 -9.344 12.393 1.00 0.00 H new ATOM 636 N VAL A 45 5.332 -9.239 16.738 1.00 0.00 N ATOM 637 CA VAL A 45 5.049 -8.746 18.081 1.00 0.00 C ATOM 638 C VAL A 45 5.594 -9.696 19.141 1.00 0.00 C ATOM 639 O VAL A 45 5.591 -10.913 18.960 1.00 0.00 O ATOM 640 CB VAL A 45 3.536 -8.560 18.303 1.00 0.00 C ATOM 641 CG1 VAL A 45 2.983 -7.505 17.357 1.00 0.00 C ATOM 642 CG2 VAL A 45 2.805 -9.882 18.125 1.00 0.00 C ATOM 0 H VAL A 45 4.662 -9.925 16.390 1.00 0.00 H new ATOM 0 HA VAL A 45 5.544 -7.779 18.175 1.00 0.00 H new ATOM 0 HB VAL A 45 3.376 -8.217 19.325 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.913 -7.387 17.529 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.486 -6.555 17.537 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.153 -7.816 16.326 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.737 -9.732 18.285 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.971 -10.256 17.115 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.182 -10.606 18.847 1.00 0.00 H new ATOM 652 N SER A 46 6.061 -9.131 20.250 1.00 0.00 N ATOM 653 CA SER A 46 6.613 -9.927 21.340 1.00 0.00 C ATOM 654 C SER A 46 5.500 -10.571 22.160 1.00 0.00 C ATOM 655 O SER A 46 5.527 -11.772 22.427 1.00 0.00 O ATOM 656 CB SER A 46 7.490 -9.057 22.242 1.00 0.00 C ATOM 657 OG SER A 46 8.481 -8.378 21.490 1.00 0.00 O ATOM 0 H SER A 46 6.068 -8.125 20.417 1.00 0.00 H new ATOM 0 HA SER A 46 7.224 -10.718 20.906 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.869 -8.332 22.769 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.967 -9.679 23.000 1.00 0.00 H new ATOM 0 HG SER A 46 9.027 -7.828 22.090 1.00 0.00 H new ATOM 663 N GLN A 47 4.523 -9.762 22.557 1.00 0.00 N ATOM 664 CA GLN A 47 3.400 -10.252 23.348 1.00 0.00 C ATOM 665 C GLN A 47 2.165 -9.382 23.139 1.00 0.00 C ATOM 666 O GLN A 47 2.261 -8.262 22.635 1.00 0.00 O ATOM 667 CB GLN A 47 3.770 -10.285 24.832 1.00 0.00 C ATOM 668 CG GLN A 47 2.967 -11.294 25.637 1.00 0.00 C ATOM 669 CD GLN A 47 3.574 -11.570 26.998 1.00 0.00 C ATOM 670 OE1 GLN A 47 4.186 -10.692 27.607 1.00 0.00 O ATOM 671 NE2 GLN A 47 3.406 -12.795 27.484 1.00 0.00 N ATOM 0 H GLN A 47 4.486 -8.765 22.344 1.00 0.00 H new ATOM 0 HA GLN A 47 3.169 -11.264 23.016 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.831 -10.517 24.928 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.621 -9.292 25.257 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.950 -10.924 25.765 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.898 -12.227 25.078 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.892 -13.491 26.945 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.791 -13.039 28.396 1.00 0.00 H new ATOM 680 N SER A 48 1.007 -9.903 23.528 1.00 0.00 N ATOM 681 CA SER A 48 -0.248 -9.175 23.380 1.00 0.00 C ATOM 682 C SER A 48 -0.945 -9.013 24.727 1.00 0.00 C ATOM 683 O SER A 48 -1.135 -9.982 25.461 1.00 0.00 O ATOM 684 CB SER A 48 -1.171 -9.901 22.399 1.00 0.00 C ATOM 685 OG SER A 48 -2.428 -9.253 22.307 1.00 0.00 O ATOM 0 H SER A 48 0.911 -10.827 23.949 1.00 0.00 H new ATOM 0 HA SER A 48 -0.020 -8.184 22.988 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.704 -9.938 21.415 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.313 -10.932 22.723 1.00 0.00 H new ATOM 0 HG SER A 48 -2.999 -9.735 21.673 1.00 0.00 H new ATOM 691 N GLY A 49 -1.324 -7.779 25.046 1.00 0.00 N ATOM 692 CA GLY A 49 -1.996 -7.511 26.304 1.00 0.00 C ATOM 693 C GLY A 49 -1.452 -8.352 27.442 1.00 0.00 C ATOM 694 O GLY A 49 -2.007 -9.394 27.792 1.00 0.00 O ATOM 0 H GLY A 49 -1.178 -6.960 24.456 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.888 -6.455 26.553 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.063 -7.704 26.191 1.00 0.00 H new ATOM 698 N PRO A 50 -0.340 -7.899 28.039 1.00 0.00 N ATOM 699 CA PRO A 50 0.304 -8.603 29.152 1.00 0.00 C ATOM 700 C PRO A 50 -0.524 -8.544 30.431 1.00 0.00 C ATOM 701 O PRO A 50 -0.600 -9.520 31.178 1.00 0.00 O ATOM 702 CB PRO A 50 1.623 -7.848 29.334 1.00 0.00 C ATOM 703 CG PRO A 50 1.355 -6.483 28.799 1.00 0.00 C ATOM 704 CD PRO A 50 0.375 -6.664 27.673 1.00 0.00 C ATOM 0 HA PRO A 50 0.431 -9.665 28.944 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.917 -7.811 30.383 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.435 -8.333 28.792 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.945 -5.834 29.573 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.274 -6.015 28.445 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.304 -5.816 27.591 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.880 -6.762 26.712 1.00 0.00 H new ATOM 712 N SER A 51 -1.143 -7.394 30.678 1.00 0.00 N ATOM 713 CA SER A 51 -1.963 -7.207 31.869 1.00 0.00 C ATOM 714 C SER A 51 -3.302 -6.570 31.513 1.00 0.00 C ATOM 715 O SER A 51 -3.372 -5.679 30.666 1.00 0.00 O ATOM 716 CB SER A 51 -1.227 -6.337 32.890 1.00 0.00 C ATOM 717 OG SER A 51 -0.004 -6.936 33.283 1.00 0.00 O ATOM 0 H SER A 51 -1.092 -6.577 30.069 1.00 0.00 H new ATOM 0 HA SER A 51 -2.152 -8.187 32.307 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.033 -5.354 32.462 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.859 -6.185 33.765 1.00 0.00 H new ATOM 0 HG SER A 51 0.448 -6.360 33.934 1.00 0.00 H new ATOM 723 N SER A 52 -4.363 -7.034 32.164 1.00 0.00 N ATOM 724 CA SER A 52 -5.702 -6.513 31.914 1.00 0.00 C ATOM 725 C SER A 52 -5.870 -5.127 32.530 1.00 0.00 C ATOM 726 O SER A 52 -5.570 -4.917 33.705 1.00 0.00 O ATOM 727 CB SER A 52 -6.757 -7.466 32.480 1.00 0.00 C ATOM 728 OG SER A 52 -8.055 -6.904 32.387 1.00 0.00 O ATOM 0 H SER A 52 -4.322 -7.770 32.869 1.00 0.00 H new ATOM 0 HA SER A 52 -5.837 -6.431 30.836 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.727 -8.411 31.937 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.528 -7.690 33.522 1.00 0.00 H new ATOM 0 HG SER A 52 -8.711 -7.533 32.754 1.00 0.00 H new ATOM 734 N GLY A 53 -6.351 -4.184 31.726 1.00 0.00 N ATOM 735 CA GLY A 53 -6.551 -2.830 32.209 1.00 0.00 C ATOM 736 C GLY A 53 -5.349 -1.941 31.955 1.00 0.00 C ATOM 737 O GLY A 53 -4.590 -2.211 31.026 1.00 0.00 O ATOM 0 H GLY A 53 -6.606 -4.333 30.750 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.427 -2.400 31.723 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.760 -2.856 33.278 1.00 0.00 H new TER 741 GLY A 53 HETATM 742 ZN ZN A 201 -5.809 -6.795 -10.135 1.00 0.00 ZN