USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 SER OG : rot 91:sc= 0.445 USER MOD Set 1.2: A 43 LYS NZ :NH3+ 138:sc= 0.381 (180deg=0.57) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.327 USER MOD Single : A 11 ASN : amide:sc= -1.93! C(o=-1.9!,f=-13!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 20 LYS NZ :NH3+ -118:sc= -0.0264 (180deg=-0.298) USER MOD Single : A 26 GLN : amide:sc= -0.634 K(o=-0.63,f=-0.09) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.0107) USER MOD Single : A 53 ASN : amide:sc= -0.0393 K(o=-0.039,f=-2.1!) USER MOD Single : A 58 THR OG1 : rot -144:sc= -0.861 USER MOD Single : A 60 GLN : amide:sc= -0.0197 K(o=-0.02,f=-1.2) USER MOD Single : A 61 SER OG : rot -83:sc= 0.518 USER MOD Single : A 67 ASN : amide:sc= -0.711 K(o=-0.71,f=-1.6) USER MOD Single : A 70 TYR OH : rot 31:sc= 0.339 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.400 -10.337 1.438 1.00 0.00 N ATOM 2 CA GLY A 1 -10.813 -10.312 0.966 1.00 0.00 C ATOM 3 C GLY A 1 -11.602 -9.279 1.773 1.00 0.00 C ATOM 4 O GLY A 1 -12.579 -9.599 2.421 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.863 -11.039 0.890 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.974 -9.397 1.308 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.375 -10.592 2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.849 -10.065 -0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.263 -11.298 1.079 1.00 0.00 H new ATOM 8 N LYS A 2 -11.189 -8.041 1.737 1.00 0.00 N ATOM 9 CA LYS A 2 -11.921 -6.991 2.502 1.00 0.00 C ATOM 10 C LYS A 2 -13.043 -6.421 1.631 1.00 0.00 C ATOM 11 O LYS A 2 -12.972 -6.445 0.418 1.00 0.00 O ATOM 12 CB LYS A 2 -10.950 -5.871 2.887 1.00 0.00 C ATOM 13 CG LYS A 2 -10.507 -6.056 4.340 1.00 0.00 C ATOM 14 CD LYS A 2 -9.662 -4.857 4.775 1.00 0.00 C ATOM 15 CE LYS A 2 -8.442 -5.346 5.558 1.00 0.00 C ATOM 16 NZ LYS A 2 -8.371 -4.632 6.865 1.00 0.00 N ATOM 0 H LYS A 2 -10.379 -7.712 1.212 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.347 -7.426 3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.083 -5.884 2.227 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.430 -4.900 2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.379 -6.153 4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.931 -6.976 4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.342 -4.289 3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.257 -4.185 5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.509 -6.421 5.722 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -7.533 -5.167 4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.542 -4.964 7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.288 -3.609 6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.234 -4.824 7.413 1.00 0.00 H new ATOM 30 N GLU A 3 -14.079 -5.911 2.238 1.00 0.00 N ATOM 31 CA GLU A 3 -15.205 -5.345 1.441 1.00 0.00 C ATOM 32 C GLU A 3 -14.996 -3.844 1.247 1.00 0.00 C ATOM 33 O GLU A 3 -15.785 -3.181 0.606 1.00 0.00 O ATOM 34 CB GLU A 3 -16.524 -5.586 2.176 1.00 0.00 C ATOM 35 CG GLU A 3 -16.630 -7.062 2.564 1.00 0.00 C ATOM 36 CD GLU A 3 -18.041 -7.358 3.075 1.00 0.00 C ATOM 37 OE1 GLU A 3 -18.408 -6.805 4.100 1.00 0.00 O ATOM 38 OE2 GLU A 3 -18.734 -8.131 2.432 1.00 0.00 O ATOM 0 H GLU A 3 -14.195 -5.861 3.250 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.237 -5.833 0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.576 -4.960 3.067 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -17.364 -5.305 1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.404 -7.692 1.703 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.896 -7.300 3.334 1.00 0.00 H new ATOM 45 N CYS A 4 -13.941 -3.301 1.788 1.00 0.00 N ATOM 46 CA CYS A 4 -13.695 -1.842 1.619 1.00 0.00 C ATOM 47 C CYS A 4 -12.257 -1.623 1.138 1.00 0.00 C ATOM 48 O CYS A 4 -11.344 -2.311 1.549 1.00 0.00 O ATOM 49 CB CYS A 4 -13.907 -1.119 2.951 1.00 0.00 C ATOM 50 SG CYS A 4 -13.651 0.659 2.717 1.00 0.00 S ATOM 0 H CYS A 4 -13.242 -3.801 2.337 1.00 0.00 H new ATOM 0 HA CYS A 4 -14.392 -1.442 0.883 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -14.914 -1.307 3.323 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -13.214 -1.502 3.700 1.00 0.00 H new ATOM 55 N ASP A 5 -12.052 -0.672 0.268 1.00 0.00 N ATOM 56 CA ASP A 5 -10.675 -0.411 -0.241 1.00 0.00 C ATOM 57 C ASP A 5 -10.225 0.988 0.193 1.00 0.00 C ATOM 58 O ASP A 5 -9.098 1.383 -0.029 1.00 0.00 O ATOM 59 CB ASP A 5 -10.671 -0.498 -1.770 1.00 0.00 C ATOM 60 CG ASP A 5 -9.264 -0.843 -2.260 1.00 0.00 C ATOM 61 OD1 ASP A 5 -8.364 -0.056 -2.018 1.00 0.00 O ATOM 62 OD2 ASP A 5 -9.110 -1.889 -2.869 1.00 0.00 O ATOM 0 H ASP A 5 -12.778 -0.065 -0.112 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.990 -1.155 0.167 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.379 -1.257 -2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.994 0.450 -2.199 1.00 0.00 H new ATOM 67 N CYS A 6 -11.096 1.740 0.811 1.00 0.00 N ATOM 68 CA CYS A 6 -10.712 3.110 1.255 1.00 0.00 C ATOM 69 C CYS A 6 -11.467 3.463 2.540 1.00 0.00 C ATOM 70 O CYS A 6 -12.649 3.211 2.667 1.00 0.00 O ATOM 71 CB CYS A 6 -11.060 4.120 0.158 1.00 0.00 C ATOM 72 SG CYS A 6 -12.858 4.321 0.061 1.00 0.00 S ATOM 0 H CYS A 6 -12.054 1.465 1.027 1.00 0.00 H new ATOM 0 HA CYS A 6 -9.640 3.142 1.447 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.588 5.079 0.371 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -10.670 3.779 -0.801 1.00 0.00 H new ATOM 77 N SER A 7 -10.793 4.046 3.494 1.00 0.00 N ATOM 78 CA SER A 7 -11.470 4.416 4.768 1.00 0.00 C ATOM 79 C SER A 7 -12.156 5.775 4.609 1.00 0.00 C ATOM 80 O SER A 7 -12.592 6.377 5.570 1.00 0.00 O ATOM 81 CB SER A 7 -10.433 4.499 5.890 1.00 0.00 C ATOM 82 OG SER A 7 -11.060 4.208 7.131 1.00 0.00 O ATOM 0 H SER A 7 -9.802 4.282 3.445 1.00 0.00 H new ATOM 0 HA SER A 7 -12.216 3.660 5.014 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.623 3.794 5.705 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.989 5.494 5.918 1.00 0.00 H new ATOM 0 HG SER A 7 -10.398 4.259 7.852 1.00 0.00 H new ATOM 88 N SER A 8 -12.255 6.266 3.403 1.00 0.00 N ATOM 89 CA SER A 8 -12.912 7.588 3.192 1.00 0.00 C ATOM 90 C SER A 8 -14.197 7.395 2.375 1.00 0.00 C ATOM 91 O SER A 8 -14.148 6.911 1.261 1.00 0.00 O ATOM 92 CB SER A 8 -11.963 8.510 2.426 1.00 0.00 C ATOM 93 OG SER A 8 -12.560 9.794 2.297 1.00 0.00 O ATOM 0 H SER A 8 -11.911 5.811 2.558 1.00 0.00 H new ATOM 0 HA SER A 8 -13.155 8.031 4.158 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.011 8.590 2.952 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.750 8.095 1.441 1.00 0.00 H new ATOM 0 HG SER A 8 -11.954 10.389 1.808 1.00 0.00 H new ATOM 99 N PRO A 9 -15.312 7.784 2.946 1.00 0.00 N ATOM 100 CA PRO A 9 -16.621 7.668 2.279 1.00 0.00 C ATOM 101 C PRO A 9 -16.782 8.777 1.237 1.00 0.00 C ATOM 102 O PRO A 9 -17.409 8.595 0.213 1.00 0.00 O ATOM 103 CB PRO A 9 -17.625 7.835 3.423 1.00 0.00 C ATOM 104 CG PRO A 9 -16.880 8.588 4.550 1.00 0.00 C ATOM 105 CD PRO A 9 -15.375 8.373 4.299 1.00 0.00 C ATOM 0 HA PRO A 9 -16.752 6.727 1.744 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -18.500 8.396 3.093 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.981 6.866 3.772 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -17.128 9.649 4.537 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.169 8.205 5.529 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.825 9.313 4.350 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.938 7.707 5.044 1.00 0.00 H new ATOM 113 N GLU A 10 -16.216 9.927 1.489 1.00 0.00 N ATOM 114 CA GLU A 10 -16.332 11.043 0.510 1.00 0.00 C ATOM 115 C GLU A 10 -15.417 10.762 -0.684 1.00 0.00 C ATOM 116 O GLU A 10 -15.507 11.402 -1.714 1.00 0.00 O ATOM 117 CB GLU A 10 -15.917 12.357 1.176 1.00 0.00 C ATOM 118 CG GLU A 10 -14.557 12.182 1.853 1.00 0.00 C ATOM 119 CD GLU A 10 -13.829 13.526 1.892 1.00 0.00 C ATOM 120 OE1 GLU A 10 -13.171 13.851 0.917 1.00 0.00 O ATOM 121 OE2 GLU A 10 -13.943 14.209 2.896 1.00 0.00 O ATOM 0 H GLU A 10 -15.679 10.140 2.330 1.00 0.00 H new ATOM 0 HA GLU A 10 -17.364 11.124 0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.865 13.153 0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.665 12.656 1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.689 11.799 2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.960 11.449 1.310 1.00 0.00 H new ATOM 128 N ASN A 11 -14.537 9.806 -0.554 1.00 0.00 N ATOM 129 CA ASN A 11 -13.615 9.477 -1.679 1.00 0.00 C ATOM 130 C ASN A 11 -14.409 8.784 -2.796 1.00 0.00 C ATOM 131 O ASN A 11 -14.991 7.740 -2.575 1.00 0.00 O ATOM 132 CB ASN A 11 -12.521 8.534 -1.174 1.00 0.00 C ATOM 133 CG ASN A 11 -11.453 8.361 -2.256 1.00 0.00 C ATOM 134 OD1 ASN A 11 -11.572 8.903 -3.336 1.00 0.00 O ATOM 135 ND2 ASN A 11 -10.407 7.622 -2.006 1.00 0.00 N ATOM 0 H ASN A 11 -14.417 9.238 0.284 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.162 10.390 -2.064 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.071 8.936 -0.266 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.951 7.567 -0.916 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.688 7.499 -2.718 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.309 7.168 -1.098 1.00 0.00 H new ATOM 142 N PRO A 12 -14.416 9.383 -3.961 1.00 0.00 N ATOM 143 CA PRO A 12 -15.139 8.839 -5.125 1.00 0.00 C ATOM 144 C PRO A 12 -14.356 7.687 -5.762 1.00 0.00 C ATOM 145 O PRO A 12 -14.922 6.819 -6.396 1.00 0.00 O ATOM 146 CB PRO A 12 -15.229 10.030 -6.082 1.00 0.00 C ATOM 147 CG PRO A 12 -14.088 10.997 -5.684 1.00 0.00 C ATOM 148 CD PRO A 12 -13.709 10.652 -4.232 1.00 0.00 C ATOM 0 HA PRO A 12 -16.115 8.430 -4.864 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -15.120 9.706 -7.117 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.199 10.520 -6.002 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.231 10.879 -6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.413 12.034 -5.764 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.631 10.539 -4.119 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -14.021 11.436 -3.542 1.00 0.00 H new ATOM 156 N CYS A 13 -13.061 7.673 -5.607 1.00 0.00 N ATOM 157 CA CYS A 13 -12.252 6.580 -6.213 1.00 0.00 C ATOM 158 C CYS A 13 -12.739 5.221 -5.707 1.00 0.00 C ATOM 159 O CYS A 13 -12.405 4.193 -6.260 1.00 0.00 O ATOM 160 CB CYS A 13 -10.783 6.755 -5.836 1.00 0.00 C ATOM 161 SG CYS A 13 -9.756 6.114 -7.172 1.00 0.00 S ATOM 0 H CYS A 13 -12.529 8.371 -5.087 1.00 0.00 H new ATOM 0 HA CYS A 13 -12.363 6.624 -7.297 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -10.561 7.808 -5.662 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -10.567 6.226 -4.908 1.00 0.00 H new ATOM 166 N CYS A 14 -13.517 5.199 -4.660 1.00 0.00 N ATOM 167 CA CYS A 14 -14.004 3.892 -4.141 1.00 0.00 C ATOM 168 C CYS A 14 -15.511 3.957 -3.894 1.00 0.00 C ATOM 169 O CYS A 14 -16.000 4.820 -3.191 1.00 0.00 O ATOM 170 CB CYS A 14 -13.283 3.558 -2.832 1.00 0.00 C ATOM 171 SG CYS A 14 -13.179 5.040 -1.799 1.00 0.00 S ATOM 0 H CYS A 14 -13.834 6.021 -4.146 1.00 0.00 H new ATOM 0 HA CYS A 14 -13.797 3.116 -4.878 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.818 2.770 -2.302 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.283 3.179 -3.043 1.00 0.00 H new ATOM 176 N ASP A 15 -16.251 3.046 -4.465 1.00 0.00 N ATOM 177 CA ASP A 15 -17.724 3.048 -4.260 1.00 0.00 C ATOM 178 C ASP A 15 -18.019 3.034 -2.761 1.00 0.00 C ATOM 179 O ASP A 15 -17.630 2.124 -2.052 1.00 0.00 O ATOM 180 CB ASP A 15 -18.334 1.808 -4.914 1.00 0.00 C ATOM 181 CG ASP A 15 -19.827 2.038 -5.152 1.00 0.00 C ATOM 182 OD1 ASP A 15 -20.494 2.468 -4.226 1.00 0.00 O ATOM 183 OD2 ASP A 15 -20.277 1.782 -6.257 1.00 0.00 O ATOM 0 H ASP A 15 -15.897 2.301 -5.065 1.00 0.00 H new ATOM 0 HA ASP A 15 -18.157 3.941 -4.711 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -17.833 1.598 -5.859 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.187 0.937 -4.275 1.00 0.00 H new ATOM 188 N ALA A 16 -18.698 4.038 -2.275 1.00 0.00 N ATOM 189 CA ALA A 16 -19.019 4.091 -0.820 1.00 0.00 C ATOM 190 C ALA A 16 -20.000 2.972 -0.470 1.00 0.00 C ATOM 191 O ALA A 16 -19.930 2.384 0.590 1.00 0.00 O ATOM 192 CB ALA A 16 -19.653 5.444 -0.490 1.00 0.00 C ATOM 0 H ALA A 16 -19.045 4.825 -2.824 1.00 0.00 H new ATOM 0 HA ALA A 16 -18.104 3.964 -0.242 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.889 5.486 0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.955 6.243 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.568 5.568 -1.070 1.00 0.00 H new ATOM 198 N ALA A 17 -20.914 2.672 -1.352 1.00 0.00 N ATOM 199 CA ALA A 17 -21.894 1.588 -1.062 1.00 0.00 C ATOM 200 C ALA A 17 -21.140 0.341 -0.599 1.00 0.00 C ATOM 201 O ALA A 17 -21.405 -0.202 0.455 1.00 0.00 O ATOM 202 CB ALA A 17 -22.689 1.266 -2.330 1.00 0.00 C ATOM 0 H ALA A 17 -21.024 3.129 -2.257 1.00 0.00 H new ATOM 0 HA ALA A 17 -22.580 1.912 -0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -23.406 0.473 -2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -23.221 2.157 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -22.006 0.938 -3.114 1.00 0.00 H new ATOM 208 N THR A 18 -20.194 -0.112 -1.377 1.00 0.00 N ATOM 209 CA THR A 18 -19.416 -1.319 -0.981 1.00 0.00 C ATOM 210 C THR A 18 -18.147 -0.879 -0.251 1.00 0.00 C ATOM 211 O THR A 18 -17.526 -1.649 0.453 1.00 0.00 O ATOM 212 CB THR A 18 -19.037 -2.115 -2.231 1.00 0.00 C ATOM 213 OG1 THR A 18 -18.059 -3.088 -1.890 1.00 0.00 O ATOM 214 CG2 THR A 18 -18.470 -1.166 -3.286 1.00 0.00 C ATOM 0 H THR A 18 -19.927 0.302 -2.270 1.00 0.00 H new ATOM 0 HA THR A 18 -20.019 -1.946 -0.324 1.00 0.00 H new ATOM 0 HB THR A 18 -19.921 -2.612 -2.630 1.00 0.00 H new ATOM 0 HG1 THR A 18 -17.815 -3.601 -2.689 1.00 0.00 H new ATOM 0 HG21 THR A 18 -18.200 -1.732 -4.177 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.221 -0.419 -3.545 1.00 0.00 H new ATOM 0 HG23 THR A 18 -17.585 -0.669 -2.890 1.00 0.00 H new ATOM 222 N CYS A 19 -17.759 0.358 -0.416 1.00 0.00 N ATOM 223 CA CYS A 19 -16.531 0.862 0.265 1.00 0.00 C ATOM 224 C CYS A 19 -15.287 0.379 -0.485 1.00 0.00 C ATOM 225 O CYS A 19 -14.190 0.425 0.034 1.00 0.00 O ATOM 226 CB CYS A 19 -16.492 0.333 1.703 1.00 0.00 C ATOM 227 SG CYS A 19 -15.511 1.451 2.737 1.00 0.00 S ATOM 0 H CYS A 19 -18.242 1.044 -0.996 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.547 1.952 0.274 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -17.504 0.251 2.098 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.060 -0.668 1.721 1.00 0.00 H new ATOM 232 N LYS A 20 -15.440 -0.083 -1.698 1.00 0.00 N ATOM 233 CA LYS A 20 -14.248 -0.570 -2.457 1.00 0.00 C ATOM 234 C LYS A 20 -13.970 0.345 -3.653 1.00 0.00 C ATOM 235 O LYS A 20 -14.551 1.403 -3.789 1.00 0.00 O ATOM 236 CB LYS A 20 -14.498 -1.996 -2.958 1.00 0.00 C ATOM 237 CG LYS A 20 -14.679 -2.939 -1.766 1.00 0.00 C ATOM 238 CD LYS A 20 -13.676 -4.091 -1.865 1.00 0.00 C ATOM 239 CE LYS A 20 -14.087 -5.036 -2.997 1.00 0.00 C ATOM 240 NZ LYS A 20 -15.292 -5.812 -2.587 1.00 0.00 N ATOM 0 H LYS A 20 -16.330 -0.145 -2.193 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.385 -0.562 -1.792 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.386 -2.019 -3.590 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.661 -2.328 -3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.532 -2.395 -0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.696 -3.330 -1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.675 -3.700 -2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.637 -4.634 -0.921 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.299 -4.466 -3.901 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.268 -5.715 -3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.062 -6.826 -2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.595 -5.508 -1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.061 -5.644 -3.267 1.00 0.00 H new ATOM 254 N LEU A 21 -13.075 -0.059 -4.521 1.00 0.00 N ATOM 255 CA LEU A 21 -12.745 0.781 -5.710 1.00 0.00 C ATOM 256 C LEU A 21 -13.864 0.678 -6.749 1.00 0.00 C ATOM 257 O LEU A 21 -14.197 -0.393 -7.216 1.00 0.00 O ATOM 258 CB LEU A 21 -11.432 0.294 -6.327 1.00 0.00 C ATOM 259 CG LEU A 21 -10.264 1.076 -5.720 1.00 0.00 C ATOM 260 CD1 LEU A 21 -9.081 0.134 -5.491 1.00 0.00 C ATOM 261 CD2 LEU A 21 -9.847 2.194 -6.679 1.00 0.00 C ATOM 0 H LEU A 21 -12.559 -0.936 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.642 1.820 -5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.305 -0.773 -6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.453 0.431 -7.408 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.573 1.508 -4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.250 0.692 -5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.377 -0.663 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.771 -0.299 -6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.015 2.752 -6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.539 1.761 -7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.689 2.867 -6.842 1.00 0.00 H new ATOM 273 N ARG A 22 -14.449 1.788 -7.109 1.00 0.00 N ATOM 274 CA ARG A 22 -15.553 1.761 -8.112 1.00 0.00 C ATOM 275 C ARG A 22 -15.005 1.900 -9.545 1.00 0.00 C ATOM 276 O ARG A 22 -15.426 1.177 -10.426 1.00 0.00 O ATOM 277 CB ARG A 22 -16.527 2.908 -7.828 1.00 0.00 C ATOM 278 CG ARG A 22 -17.898 2.567 -8.416 1.00 0.00 C ATOM 279 CD ARG A 22 -17.938 2.981 -9.889 1.00 0.00 C ATOM 280 NE ARG A 22 -19.203 3.718 -10.163 1.00 0.00 N ATOM 281 CZ ARG A 22 -19.177 5.005 -10.377 1.00 0.00 C ATOM 282 NH1 ARG A 22 -18.246 5.739 -9.833 1.00 0.00 N ATOM 283 NH2 ARG A 22 -20.083 5.558 -11.136 1.00 0.00 N ATOM 0 H ARG A 22 -14.210 2.713 -6.752 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.067 0.803 -8.031 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.610 3.072 -6.754 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.152 3.834 -8.263 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.090 1.498 -8.322 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.682 3.082 -7.861 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.080 3.610 -10.124 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.872 2.100 -10.527 1.00 0.00 H new ATOM 0 HE ARG A 22 -20.091 3.216 -10.183 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -17.538 5.307 -9.240 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.226 6.745 -10.001 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -20.811 4.984 -11.562 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -20.063 6.564 -11.304 1.00 0.00 H new ATOM 297 N PRO A 23 -14.101 2.832 -9.751 1.00 0.00 N ATOM 298 CA PRO A 23 -13.516 3.081 -11.084 1.00 0.00 C ATOM 299 C PRO A 23 -12.433 2.048 -11.414 1.00 0.00 C ATOM 300 O PRO A 23 -12.264 1.064 -10.721 1.00 0.00 O ATOM 301 CB PRO A 23 -12.913 4.482 -10.955 1.00 0.00 C ATOM 302 CG PRO A 23 -12.683 4.723 -9.444 1.00 0.00 C ATOM 303 CD PRO A 23 -13.574 3.717 -8.692 1.00 0.00 C ATOM 0 HA PRO A 23 -14.249 3.005 -11.887 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.975 4.553 -11.506 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.585 5.233 -11.370 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.634 4.579 -9.185 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.941 5.747 -9.172 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -13.003 3.156 -7.952 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -14.379 4.221 -8.158 1.00 0.00 H new ATOM 311 N GLY A 24 -11.704 2.266 -12.477 1.00 0.00 N ATOM 312 CA GLY A 24 -10.636 1.302 -12.866 1.00 0.00 C ATOM 313 C GLY A 24 -9.347 1.626 -12.107 1.00 0.00 C ATOM 314 O GLY A 24 -8.290 1.113 -12.416 1.00 0.00 O ATOM 0 H GLY A 24 -11.804 3.073 -13.093 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.954 0.283 -12.644 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.460 1.354 -13.940 1.00 0.00 H new ATOM 318 N ALA A 25 -9.424 2.469 -11.116 1.00 0.00 N ATOM 319 CA ALA A 25 -8.202 2.815 -10.339 1.00 0.00 C ATOM 320 C ALA A 25 -7.743 1.585 -9.563 1.00 0.00 C ATOM 321 O ALA A 25 -8.377 0.550 -9.606 1.00 0.00 O ATOM 322 CB ALA A 25 -8.517 3.958 -9.374 1.00 0.00 C ATOM 0 H ALA A 25 -10.279 2.933 -10.811 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.408 3.133 -11.015 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.622 4.211 -8.805 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.847 4.830 -9.938 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.307 3.649 -8.689 1.00 0.00 H new ATOM 328 N GLN A 26 -6.644 1.669 -8.865 1.00 0.00 N ATOM 329 CA GLN A 26 -6.174 0.490 -8.127 1.00 0.00 C ATOM 330 C GLN A 26 -6.079 0.836 -6.642 1.00 0.00 C ATOM 331 O GLN A 26 -5.747 0.009 -5.819 1.00 0.00 O ATOM 332 CB GLN A 26 -4.807 0.114 -8.689 1.00 0.00 C ATOM 333 CG GLN A 26 -4.823 -1.356 -9.090 1.00 0.00 C ATOM 334 CD GLN A 26 -5.653 -1.528 -10.363 1.00 0.00 C ATOM 335 OE1 GLN A 26 -6.463 -2.429 -10.457 1.00 0.00 O ATOM 336 NE2 GLN A 26 -5.486 -0.696 -11.355 1.00 0.00 N ATOM 0 H GLN A 26 -6.062 2.503 -8.781 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.859 -0.351 -8.235 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.570 0.737 -9.551 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.032 0.293 -7.944 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.805 -1.710 -9.256 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.243 -1.959 -8.285 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.806 0.061 -11.277 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.035 -0.803 -12.208 1.00 0.00 H new ATOM 345 N CYS A 27 -6.378 2.060 -6.296 1.00 0.00 N ATOM 346 CA CYS A 27 -6.306 2.476 -4.871 1.00 0.00 C ATOM 347 C CYS A 27 -7.044 3.800 -4.690 1.00 0.00 C ATOM 348 O CYS A 27 -6.982 4.677 -5.529 1.00 0.00 O ATOM 349 CB CYS A 27 -4.845 2.666 -4.498 1.00 0.00 C ATOM 350 SG CYS A 27 -4.099 3.790 -5.698 1.00 0.00 S ATOM 0 H CYS A 27 -6.670 2.791 -6.945 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.764 1.717 -4.237 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.760 3.074 -3.491 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.325 1.708 -4.499 1.00 0.00 H new ATOM 355 N GLY A 28 -7.728 3.960 -3.594 1.00 0.00 N ATOM 356 CA GLY A 28 -8.453 5.234 -3.350 1.00 0.00 C ATOM 357 C GLY A 28 -7.640 6.068 -2.374 1.00 0.00 C ATOM 358 O GLY A 28 -7.533 7.272 -2.499 1.00 0.00 O ATOM 0 H GLY A 28 -7.816 3.262 -2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.594 5.775 -4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.445 5.034 -2.944 1.00 0.00 H new ATOM 362 N GLU A 29 -7.062 5.432 -1.400 1.00 0.00 N ATOM 363 CA GLU A 29 -6.249 6.175 -0.409 1.00 0.00 C ATOM 364 C GLU A 29 -5.124 5.272 0.105 1.00 0.00 C ATOM 365 O GLU A 29 -5.268 4.067 0.173 1.00 0.00 O ATOM 366 CB GLU A 29 -7.152 6.604 0.744 1.00 0.00 C ATOM 367 CG GLU A 29 -7.506 5.386 1.598 1.00 0.00 C ATOM 368 CD GLU A 29 -6.953 5.572 3.012 1.00 0.00 C ATOM 369 OE1 GLU A 29 -7.625 6.202 3.811 1.00 0.00 O ATOM 370 OE2 GLU A 29 -5.867 5.082 3.271 1.00 0.00 O ATOM 0 H GLU A 29 -7.119 4.425 -1.248 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.806 7.058 -0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.649 7.354 1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.060 7.065 0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.588 5.256 1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.091 4.483 1.150 1.00 0.00 H new ATOM 377 N GLY A 30 -4.006 5.838 0.470 1.00 0.00 N ATOM 378 CA GLY A 30 -2.884 4.997 0.979 1.00 0.00 C ATOM 379 C GLY A 30 -1.562 5.756 0.838 1.00 0.00 C ATOM 380 O GLY A 30 -1.521 6.865 0.343 1.00 0.00 O ATOM 0 H GLY A 30 -3.821 6.841 0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.056 4.739 2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.838 4.061 0.423 1.00 0.00 H new ATOM 384 N LEU A 31 -0.482 5.165 1.269 1.00 0.00 N ATOM 385 CA LEU A 31 0.838 5.848 1.162 1.00 0.00 C ATOM 386 C LEU A 31 1.477 5.516 -0.187 1.00 0.00 C ATOM 387 O LEU A 31 2.666 5.682 -0.375 1.00 0.00 O ATOM 388 CB LEU A 31 1.756 5.363 2.288 1.00 0.00 C ATOM 389 CG LEU A 31 2.495 6.556 2.896 1.00 0.00 C ATOM 390 CD1 LEU A 31 3.321 7.252 1.813 1.00 0.00 C ATOM 391 CD2 LEU A 31 1.478 7.542 3.474 1.00 0.00 C ATOM 0 H LEU A 31 -0.457 4.237 1.691 1.00 0.00 H new ATOM 0 HA LEU A 31 0.695 6.926 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.171 4.855 3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.472 4.638 1.901 1.00 0.00 H new ATOM 0 HG LEU A 31 3.157 6.208 3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.847 8.102 2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.045 6.550 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.660 7.601 1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.003 8.393 3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.817 7.890 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.889 7.047 4.246 1.00 0.00 H new ATOM 403 N CYS A 32 0.706 5.039 -1.125 1.00 0.00 N ATOM 404 CA CYS A 32 1.289 4.692 -2.454 1.00 0.00 C ATOM 405 C CYS A 32 0.213 4.811 -3.533 1.00 0.00 C ATOM 406 O CYS A 32 0.268 4.150 -4.551 1.00 0.00 O ATOM 407 CB CYS A 32 1.829 3.252 -2.447 1.00 0.00 C ATOM 408 SG CYS A 32 2.008 2.641 -0.747 1.00 0.00 S ATOM 0 H CYS A 32 -0.296 4.875 -1.031 1.00 0.00 H new ATOM 0 HA CYS A 32 2.108 5.381 -2.662 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.153 2.602 -3.003 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.793 3.218 -2.954 1.00 0.00 H new ATOM 413 N CYS A 33 -0.767 5.647 -3.326 1.00 0.00 N ATOM 414 CA CYS A 33 -1.835 5.794 -4.351 1.00 0.00 C ATOM 415 C CYS A 33 -1.628 7.101 -5.121 1.00 0.00 C ATOM 416 O CYS A 33 -1.692 8.181 -4.568 1.00 0.00 O ATOM 417 CB CYS A 33 -3.207 5.790 -3.674 1.00 0.00 C ATOM 418 SG CYS A 33 -4.477 5.617 -4.940 1.00 0.00 S ATOM 0 H CYS A 33 -0.873 6.231 -2.496 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.787 4.958 -5.049 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.273 4.970 -2.959 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.355 6.714 -3.115 1.00 0.00 H new ATOM 423 N GLU A 34 -1.367 7.004 -6.399 1.00 0.00 N ATOM 424 CA GLU A 34 -1.138 8.232 -7.218 1.00 0.00 C ATOM 425 C GLU A 34 -2.145 8.280 -8.367 1.00 0.00 C ATOM 426 O GLU A 34 -2.254 7.355 -9.149 1.00 0.00 O ATOM 427 CB GLU A 34 0.282 8.208 -7.800 1.00 0.00 C ATOM 428 CG GLU A 34 1.160 7.231 -7.013 1.00 0.00 C ATOM 429 CD GLU A 34 1.427 7.796 -5.617 1.00 0.00 C ATOM 430 OE1 GLU A 34 1.586 9.000 -5.508 1.00 0.00 O ATOM 431 OE2 GLU A 34 1.469 7.014 -4.681 1.00 0.00 O ATOM 0 H GLU A 34 -1.302 6.125 -6.912 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.261 9.110 -6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.248 7.914 -8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.715 9.208 -7.763 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.666 6.262 -6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.102 7.068 -7.537 1.00 0.00 H new ATOM 438 N GLN A 35 -2.885 9.349 -8.480 1.00 0.00 N ATOM 439 CA GLN A 35 -3.880 9.446 -9.584 1.00 0.00 C ATOM 440 C GLN A 35 -4.881 8.301 -9.446 1.00 0.00 C ATOM 441 O GLN A 35 -5.365 7.765 -10.423 1.00 0.00 O ATOM 442 CB GLN A 35 -3.161 9.346 -10.931 1.00 0.00 C ATOM 443 CG GLN A 35 -1.887 10.192 -10.891 1.00 0.00 C ATOM 444 CD GLN A 35 -1.161 10.090 -12.234 1.00 0.00 C ATOM 445 OE1 GLN A 35 -0.253 9.297 -12.388 1.00 0.00 O ATOM 446 NE2 GLN A 35 -1.523 10.866 -13.219 1.00 0.00 N ATOM 0 H GLN A 35 -2.844 10.156 -7.858 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.403 10.401 -9.531 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.914 8.307 -11.148 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.815 9.692 -11.731 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.135 11.232 -10.678 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.236 9.849 -10.087 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.285 11.532 -13.090 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.044 10.807 -14.118 1.00 0.00 H new ATOM 455 N CYS A 36 -5.171 7.919 -8.229 1.00 0.00 N ATOM 456 CA CYS A 36 -6.130 6.799 -7.966 1.00 0.00 C ATOM 457 C CYS A 36 -5.480 5.434 -8.262 1.00 0.00 C ATOM 458 O CYS A 36 -5.863 4.431 -7.694 1.00 0.00 O ATOM 459 CB CYS A 36 -7.399 6.964 -8.802 1.00 0.00 C ATOM 460 SG CYS A 36 -8.690 7.711 -7.789 1.00 0.00 S ATOM 0 H CYS A 36 -4.777 8.343 -7.389 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.398 6.834 -6.910 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.196 7.589 -9.672 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.730 5.995 -9.176 1.00 0.00 H new ATOM 465 N LYS A 37 -4.489 5.381 -9.115 1.00 0.00 N ATOM 466 CA LYS A 37 -3.820 4.084 -9.398 1.00 0.00 C ATOM 467 C LYS A 37 -2.686 3.941 -8.408 1.00 0.00 C ATOM 468 O LYS A 37 -1.957 4.879 -8.156 1.00 0.00 O ATOM 469 CB LYS A 37 -3.269 4.079 -10.826 1.00 0.00 C ATOM 470 CG LYS A 37 -4.312 3.487 -11.775 1.00 0.00 C ATOM 471 CD LYS A 37 -5.110 4.620 -12.423 1.00 0.00 C ATOM 472 CE LYS A 37 -5.650 4.157 -13.777 1.00 0.00 C ATOM 473 NZ LYS A 37 -4.573 4.264 -14.801 1.00 0.00 N ATOM 0 H LYS A 37 -4.117 6.182 -9.626 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.524 3.257 -9.304 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.017 5.094 -11.133 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.349 3.495 -10.870 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.823 2.887 -12.542 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.981 2.822 -11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.934 4.916 -11.773 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.476 5.497 -12.553 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.001 3.127 -13.708 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.506 4.767 -14.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.761 3.594 -15.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.550 5.232 -15.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.656 4.041 -14.365 1.00 0.00 H new ATOM 487 N PHE A 38 -2.537 2.802 -7.806 1.00 0.00 N ATOM 488 CA PHE A 38 -1.458 2.691 -6.811 1.00 0.00 C ATOM 489 C PHE A 38 -0.112 2.523 -7.509 1.00 0.00 C ATOM 490 O PHE A 38 -0.007 1.978 -8.589 1.00 0.00 O ATOM 491 CB PHE A 38 -1.744 1.567 -5.799 1.00 0.00 C ATOM 492 CG PHE A 38 -1.960 0.210 -6.433 1.00 0.00 C ATOM 493 CD1 PHE A 38 -1.055 -0.322 -7.359 1.00 0.00 C ATOM 494 CD2 PHE A 38 -3.081 -0.534 -6.053 1.00 0.00 C ATOM 495 CE1 PHE A 38 -1.278 -1.590 -7.905 1.00 0.00 C ATOM 496 CE2 PHE A 38 -3.307 -1.800 -6.597 1.00 0.00 C ATOM 497 CZ PHE A 38 -2.405 -2.330 -7.526 1.00 0.00 C ATOM 0 H PHE A 38 -3.101 1.966 -7.957 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.414 3.616 -6.236 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.911 1.501 -5.099 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.628 1.831 -5.219 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.185 0.247 -7.652 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.777 -0.127 -5.334 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.580 -1.999 -8.620 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.176 -2.369 -6.301 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.578 -3.308 -7.950 1.00 0.00 H new ATOM 507 N SER A 39 0.909 3.052 -6.905 1.00 0.00 N ATOM 508 CA SER A 39 2.271 2.993 -7.505 1.00 0.00 C ATOM 509 C SER A 39 2.763 1.544 -7.568 1.00 0.00 C ATOM 510 O SER A 39 1.987 0.610 -7.545 1.00 0.00 O ATOM 511 CB SER A 39 3.229 3.817 -6.646 1.00 0.00 C ATOM 512 OG SER A 39 2.478 4.646 -5.770 1.00 0.00 O ATOM 0 H SER A 39 0.860 3.531 -6.006 1.00 0.00 H new ATOM 0 HA SER A 39 2.234 3.395 -8.517 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.880 3.158 -6.072 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.872 4.427 -7.281 1.00 0.00 H new ATOM 0 HG SER A 39 2.322 4.173 -4.926 1.00 0.00 H new ATOM 518 N ARG A 40 4.055 1.356 -7.649 1.00 0.00 N ATOM 519 CA ARG A 40 4.609 -0.026 -7.717 1.00 0.00 C ATOM 520 C ARG A 40 5.325 -0.356 -6.405 1.00 0.00 C ATOM 521 O ARG A 40 5.501 0.489 -5.550 1.00 0.00 O ATOM 522 CB ARG A 40 5.606 -0.117 -8.874 1.00 0.00 C ATOM 523 CG ARG A 40 6.808 0.783 -8.581 1.00 0.00 C ATOM 524 CD ARG A 40 7.757 0.784 -9.782 1.00 0.00 C ATOM 525 NE ARG A 40 8.349 2.141 -9.945 1.00 0.00 N ATOM 526 CZ ARG A 40 7.577 3.164 -10.191 1.00 0.00 C ATOM 527 NH1 ARG A 40 7.064 3.324 -11.379 1.00 0.00 N ATOM 528 NH2 ARG A 40 7.319 4.028 -9.247 1.00 0.00 N ATOM 0 H ARG A 40 4.750 2.102 -7.671 1.00 0.00 H new ATOM 0 HA ARG A 40 3.796 -0.735 -7.876 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.933 -1.148 -9.006 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.128 0.187 -9.805 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.472 1.798 -8.370 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.331 0.430 -7.692 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.546 0.046 -9.636 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.218 0.500 -10.686 1.00 0.00 H new ATOM 0 HE ARG A 40 9.358 2.271 -9.864 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.266 2.649 -12.117 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.461 4.124 -11.570 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.721 3.903 -8.318 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.716 4.828 -9.439 1.00 0.00 H new ATOM 542 N ALA A 41 5.742 -1.582 -6.243 1.00 0.00 N ATOM 543 CA ALA A 41 6.449 -1.973 -4.993 1.00 0.00 C ATOM 544 C ALA A 41 7.827 -1.325 -4.977 1.00 0.00 C ATOM 545 O ALA A 41 8.237 -0.694 -5.932 1.00 0.00 O ATOM 546 CB ALA A 41 6.593 -3.494 -4.942 1.00 0.00 C ATOM 0 H ALA A 41 5.623 -2.331 -6.925 1.00 0.00 H new ATOM 0 HA ALA A 41 5.878 -1.639 -4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.111 -3.780 -4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.605 -3.954 -4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.166 -3.834 -5.804 1.00 0.00 H new ATOM 552 N GLY A 42 8.542 -1.451 -3.896 1.00 0.00 N ATOM 553 CA GLY A 42 9.876 -0.810 -3.833 1.00 0.00 C ATOM 554 C GLY A 42 9.653 0.698 -3.774 1.00 0.00 C ATOM 555 O GLY A 42 10.487 1.480 -4.182 1.00 0.00 O ATOM 0 H GLY A 42 8.261 -1.966 -3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.425 -1.152 -2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.472 -1.076 -4.706 1.00 0.00 H new ATOM 559 N LYS A 43 8.510 1.108 -3.283 1.00 0.00 N ATOM 560 CA LYS A 43 8.212 2.568 -3.222 1.00 0.00 C ATOM 561 C LYS A 43 8.311 3.052 -1.771 1.00 0.00 C ATOM 562 O LYS A 43 7.592 2.605 -0.903 1.00 0.00 O ATOM 563 CB LYS A 43 6.801 2.811 -3.798 1.00 0.00 C ATOM 564 CG LYS A 43 6.076 3.932 -3.040 1.00 0.00 C ATOM 565 CD LYS A 43 5.096 4.634 -3.984 1.00 0.00 C ATOM 566 CE LYS A 43 5.234 6.151 -3.834 1.00 0.00 C ATOM 567 NZ LYS A 43 4.308 6.829 -4.784 1.00 0.00 N ATOM 0 H LYS A 43 7.776 0.498 -2.924 1.00 0.00 H new ATOM 0 HA LYS A 43 8.934 3.130 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.877 3.072 -4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.218 1.892 -3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.542 3.520 -2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.799 4.649 -2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.295 4.341 -5.015 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.075 4.328 -3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.005 6.449 -2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.262 6.455 -4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.851 7.633 -4.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.844 7.172 -5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.581 6.156 -5.101 1.00 0.00 H new ATOM 581 N ILE A 44 9.199 3.968 -1.507 1.00 0.00 N ATOM 582 CA ILE A 44 9.347 4.483 -0.121 1.00 0.00 C ATOM 583 C ILE A 44 8.033 5.116 0.336 1.00 0.00 C ATOM 584 O ILE A 44 7.525 6.033 -0.279 1.00 0.00 O ATOM 585 CB ILE A 44 10.450 5.537 -0.082 1.00 0.00 C ATOM 586 CG1 ILE A 44 10.710 5.948 1.367 1.00 0.00 C ATOM 587 CG2 ILE A 44 10.003 6.757 -0.879 1.00 0.00 C ATOM 588 CD1 ILE A 44 11.270 4.755 2.140 1.00 0.00 C ATOM 0 H ILE A 44 9.829 4.382 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 44 9.605 3.657 0.542 1.00 0.00 H new ATOM 0 HB ILE A 44 11.364 5.128 -0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 44 11.414 6.780 1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.786 6.294 1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.787 7.514 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.810 6.466 -1.912 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.092 7.164 -0.441 1.00 0.00 H new ATOM 0 HD11 ILE A 44 11.456 5.046 3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.550 3.937 2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 44 12.204 4.430 1.681 1.00 0.00 H new ATOM 600 N CYS A 45 7.491 4.644 1.420 1.00 0.00 N ATOM 601 CA CYS A 45 6.218 5.227 1.937 1.00 0.00 C ATOM 602 C CYS A 45 6.570 6.192 3.066 1.00 0.00 C ATOM 603 O CYS A 45 5.889 7.171 3.301 1.00 0.00 O ATOM 604 CB CYS A 45 5.281 4.131 2.478 1.00 0.00 C ATOM 605 SG CYS A 45 5.932 2.474 2.123 1.00 0.00 S ATOM 0 H CYS A 45 7.873 3.878 1.974 1.00 0.00 H new ATOM 0 HA CYS A 45 5.700 5.739 1.126 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.158 4.253 3.554 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.293 4.240 2.030 1.00 0.00 H new ATOM 610 N ARG A 46 7.639 5.919 3.761 1.00 0.00 N ATOM 611 CA ARG A 46 8.061 6.813 4.874 1.00 0.00 C ATOM 612 C ARG A 46 9.534 6.556 5.198 1.00 0.00 C ATOM 613 O ARG A 46 10.059 5.494 4.930 1.00 0.00 O ATOM 614 CB ARG A 46 7.204 6.532 6.110 1.00 0.00 C ATOM 615 CG ARG A 46 7.691 7.398 7.274 1.00 0.00 C ATOM 616 CD ARG A 46 6.653 7.380 8.398 1.00 0.00 C ATOM 617 NE ARG A 46 5.283 7.371 7.810 1.00 0.00 N ATOM 618 CZ ARG A 46 4.383 6.544 8.269 1.00 0.00 C ATOM 619 NH1 ARG A 46 4.363 6.240 9.537 1.00 0.00 N ATOM 620 NH2 ARG A 46 3.502 6.022 7.459 1.00 0.00 N ATOM 0 H ARG A 46 8.241 5.111 3.605 1.00 0.00 H new ATOM 0 HA ARG A 46 7.931 7.854 4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.157 6.746 5.896 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.266 5.477 6.377 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.647 7.025 7.642 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.857 8.421 6.935 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.797 6.501 9.026 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.780 8.253 9.038 1.00 0.00 H new ATOM 0 HE ARG A 46 5.049 8.010 7.050 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.050 6.648 10.170 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.660 5.594 9.896 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.517 6.260 6.467 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.799 5.376 7.818 1.00 0.00 H new ATOM 634 N ILE A 47 10.203 7.516 5.774 1.00 0.00 N ATOM 635 CA ILE A 47 11.641 7.318 6.113 1.00 0.00 C ATOM 636 C ILE A 47 11.751 6.478 7.388 1.00 0.00 C ATOM 637 O ILE A 47 10.937 6.584 8.283 1.00 0.00 O ATOM 638 CB ILE A 47 12.305 8.677 6.342 1.00 0.00 C ATOM 639 CG1 ILE A 47 13.803 8.476 6.580 1.00 0.00 C ATOM 640 CG2 ILE A 47 11.681 9.352 7.564 1.00 0.00 C ATOM 641 CD1 ILE A 47 14.477 8.054 5.274 1.00 0.00 C ATOM 0 H ILE A 47 9.818 8.427 6.024 1.00 0.00 H new ATOM 0 HA ILE A 47 12.140 6.804 5.291 1.00 0.00 H new ATOM 0 HB ILE A 47 12.156 9.307 5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 47 14.250 9.399 6.950 1.00 0.00 H new ATOM 0 HG13 ILE A 47 13.961 7.716 7.345 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.155 10.320 7.726 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.613 9.494 7.396 1.00 0.00 H new ATOM 0 HG23 ILE A 47 11.829 8.724 8.442 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.544 7.911 5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.038 7.120 4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.331 8.829 4.522 1.00 0.00 H new ATOM 653 N ALA A 48 12.751 5.645 7.478 1.00 0.00 N ATOM 654 CA ALA A 48 12.910 4.801 8.696 1.00 0.00 C ATOM 655 C ALA A 48 13.326 5.682 9.876 1.00 0.00 C ATOM 656 O ALA A 48 13.957 6.707 9.705 1.00 0.00 O ATOM 657 CB ALA A 48 13.985 3.741 8.448 1.00 0.00 C ATOM 0 H ALA A 48 13.465 5.512 6.761 1.00 0.00 H new ATOM 0 HA ALA A 48 11.963 4.311 8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.100 3.124 9.339 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.689 3.113 7.608 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.932 4.230 8.220 1.00 0.00 H new ATOM 663 N ARG A 49 12.981 5.289 11.071 1.00 0.00 N ATOM 664 CA ARG A 49 13.360 6.102 12.261 1.00 0.00 C ATOM 665 C ARG A 49 14.622 5.514 12.896 1.00 0.00 C ATOM 666 O ARG A 49 14.554 4.731 13.823 1.00 0.00 O ATOM 667 CB ARG A 49 12.217 6.077 13.280 1.00 0.00 C ATOM 668 CG ARG A 49 11.064 6.948 12.777 1.00 0.00 C ATOM 669 CD ARG A 49 9.893 6.863 13.758 1.00 0.00 C ATOM 670 NE ARG A 49 8.648 6.506 13.020 1.00 0.00 N ATOM 671 CZ ARG A 49 7.623 6.021 13.666 1.00 0.00 C ATOM 672 NH1 ARG A 49 6.868 6.813 14.378 1.00 0.00 N ATOM 673 NH2 ARG A 49 7.351 4.747 13.600 1.00 0.00 N ATOM 0 H ARG A 49 12.453 4.440 11.275 1.00 0.00 H new ATOM 0 HA ARG A 49 13.551 7.130 11.955 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.874 5.054 13.432 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.568 6.442 14.245 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.393 7.982 12.676 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.748 6.616 11.788 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.101 6.116 14.524 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.764 7.817 14.270 1.00 0.00 H new ATOM 0 HE ARG A 49 8.597 6.641 12.010 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.080 7.810 14.429 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.067 6.435 14.883 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.940 4.128 13.043 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.549 4.370 14.106 1.00 0.00 H new ATOM 687 N GLY A 50 15.773 5.883 12.406 1.00 0.00 N ATOM 688 CA GLY A 50 17.035 5.339 12.984 1.00 0.00 C ATOM 689 C GLY A 50 18.063 5.140 11.868 1.00 0.00 C ATOM 690 O GLY A 50 18.613 6.087 11.341 1.00 0.00 O ATOM 0 H GLY A 50 15.895 6.536 11.632 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.427 6.023 13.737 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.839 4.391 13.486 1.00 0.00 H new ATOM 694 N ASP A 51 18.326 3.916 11.502 1.00 0.00 N ATOM 695 CA ASP A 51 19.319 3.658 10.420 1.00 0.00 C ATOM 696 C ASP A 51 19.076 2.269 9.826 1.00 0.00 C ATOM 697 O ASP A 51 19.994 1.497 9.631 1.00 0.00 O ATOM 698 CB ASP A 51 20.733 3.725 10.999 1.00 0.00 C ATOM 699 CG ASP A 51 21.354 5.085 10.674 1.00 0.00 C ATOM 700 OD1 ASP A 51 21.217 5.519 9.542 1.00 0.00 O ATOM 701 OD2 ASP A 51 21.956 5.667 11.560 1.00 0.00 O ATOM 0 H ASP A 51 17.897 3.083 11.905 1.00 0.00 H new ATOM 0 HA ASP A 51 19.210 4.411 9.640 1.00 0.00 H new ATOM 0 HB2 ASP A 51 20.703 3.576 12.078 1.00 0.00 H new ATOM 0 HB3 ASP A 51 21.346 2.925 10.584 1.00 0.00 H new ATOM 706 N TRP A 52 17.846 1.945 9.538 1.00 0.00 N ATOM 707 CA TRP A 52 17.544 0.607 8.957 1.00 0.00 C ATOM 708 C TRP A 52 16.647 0.776 7.728 1.00 0.00 C ATOM 709 O TRP A 52 16.395 1.876 7.280 1.00 0.00 O ATOM 710 CB TRP A 52 16.826 -0.252 10.000 1.00 0.00 C ATOM 711 CG TRP A 52 15.922 0.610 10.822 1.00 0.00 C ATOM 712 CD1 TRP A 52 14.917 1.371 10.332 1.00 0.00 C ATOM 713 CD2 TRP A 52 15.921 0.811 12.266 1.00 0.00 C ATOM 714 NE1 TRP A 52 14.297 2.024 11.382 1.00 0.00 N ATOM 715 CE2 TRP A 52 14.881 1.713 12.594 1.00 0.00 C ATOM 716 CE3 TRP A 52 16.714 0.305 13.312 1.00 0.00 C ATOM 717 CZ2 TRP A 52 14.635 2.097 13.912 1.00 0.00 C ATOM 718 CZ3 TRP A 52 16.469 0.691 14.640 1.00 0.00 C ATOM 719 CH2 TRP A 52 15.432 1.584 14.940 1.00 0.00 C ATOM 0 H TRP A 52 17.037 2.549 9.680 1.00 0.00 H new ATOM 0 HA TRP A 52 18.474 0.119 8.664 1.00 0.00 H new ATOM 0 HB2 TRP A 52 16.250 -1.035 9.507 1.00 0.00 H new ATOM 0 HB3 TRP A 52 17.554 -0.748 10.641 1.00 0.00 H new ATOM 0 HD1 TRP A 52 14.643 1.455 9.291 1.00 0.00 H new ATOM 0 HE1 TRP A 52 13.505 2.658 11.274 1.00 0.00 H new ATOM 0 HE3 TRP A 52 17.516 -0.384 13.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 13.834 2.786 14.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 17.084 0.297 15.435 1.00 0.00 H new ATOM 0 HH2 TRP A 52 15.249 1.876 15.964 1.00 0.00 H new ATOM 730 N ASN A 53 16.165 -0.306 7.178 1.00 0.00 N ATOM 731 CA ASN A 53 15.288 -0.203 5.978 1.00 0.00 C ATOM 732 C ASN A 53 14.148 0.778 6.264 1.00 0.00 C ATOM 733 O ASN A 53 13.651 0.863 7.370 1.00 0.00 O ATOM 734 CB ASN A 53 14.710 -1.580 5.647 1.00 0.00 C ATOM 735 CG ASN A 53 15.813 -2.472 5.075 1.00 0.00 C ATOM 736 OD1 ASN A 53 16.872 -1.995 4.719 1.00 0.00 O ATOM 737 ND2 ASN A 53 15.610 -3.757 4.971 1.00 0.00 N ATOM 0 H ASN A 53 16.341 -1.255 7.508 1.00 0.00 H new ATOM 0 HA ASN A 53 15.871 0.156 5.130 1.00 0.00 H new ATOM 0 HB2 ASN A 53 14.289 -2.034 6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 53 13.897 -1.482 4.927 1.00 0.00 H new ATOM 0 HD21 ASN A 53 16.340 -4.360 4.591 1.00 0.00 H new ATOM 0 HD22 ASN A 53 14.721 -4.159 5.270 1.00 0.00 H new ATOM 744 N ASP A 54 13.732 1.521 5.276 1.00 0.00 N ATOM 745 CA ASP A 54 12.628 2.500 5.489 1.00 0.00 C ATOM 746 C ASP A 54 11.280 1.818 5.228 1.00 0.00 C ATOM 747 O ASP A 54 11.094 0.658 5.538 1.00 0.00 O ATOM 748 CB ASP A 54 12.808 3.673 4.526 1.00 0.00 C ATOM 749 CG ASP A 54 14.276 4.103 4.511 1.00 0.00 C ATOM 750 OD1 ASP A 54 14.759 4.526 5.548 1.00 0.00 O ATOM 751 OD2 ASP A 54 14.892 4.001 3.464 1.00 0.00 O ATOM 0 H ASP A 54 14.109 1.493 4.329 1.00 0.00 H new ATOM 0 HA ASP A 54 12.651 2.864 6.516 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.492 3.385 3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.177 4.508 4.831 1.00 0.00 H new ATOM 756 N ASP A 55 10.339 2.524 4.657 1.00 0.00 N ATOM 757 CA ASP A 55 9.011 1.908 4.378 1.00 0.00 C ATOM 758 C ASP A 55 8.841 1.753 2.867 1.00 0.00 C ATOM 759 O ASP A 55 8.757 2.720 2.146 1.00 0.00 O ATOM 760 CB ASP A 55 7.904 2.809 4.925 1.00 0.00 C ATOM 761 CG ASP A 55 6.977 1.994 5.828 1.00 0.00 C ATOM 762 OD1 ASP A 55 6.767 0.829 5.530 1.00 0.00 O ATOM 763 OD2 ASP A 55 6.491 2.548 6.800 1.00 0.00 O ATOM 0 H ASP A 55 10.434 3.499 4.373 1.00 0.00 H new ATOM 0 HA ASP A 55 8.951 0.931 4.859 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.339 3.637 5.486 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.336 3.244 4.103 1.00 0.00 H new ATOM 768 N ARG A 56 8.799 0.545 2.384 1.00 0.00 N ATOM 769 CA ARG A 56 8.645 0.331 0.919 1.00 0.00 C ATOM 770 C ARG A 56 7.229 -0.150 0.615 1.00 0.00 C ATOM 771 O ARG A 56 6.751 -1.114 1.179 1.00 0.00 O ATOM 772 CB ARG A 56 9.653 -0.721 0.465 1.00 0.00 C ATOM 773 CG ARG A 56 10.280 -0.286 -0.855 1.00 0.00 C ATOM 774 CD ARG A 56 11.027 1.033 -0.666 1.00 0.00 C ATOM 775 NE ARG A 56 11.857 0.963 0.570 1.00 0.00 N ATOM 776 CZ ARG A 56 13.148 0.791 0.479 1.00 0.00 C ATOM 777 NH1 ARG A 56 13.884 1.691 -0.114 1.00 0.00 N ATOM 778 NH2 ARG A 56 13.701 -0.279 0.978 1.00 0.00 N ATOM 0 H ARG A 56 8.865 -0.307 2.942 1.00 0.00 H new ATOM 0 HA ARG A 56 8.823 1.267 0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.426 -0.850 1.222 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.160 -1.686 0.345 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.966 -1.054 -1.213 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.507 -0.170 -1.614 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.660 1.232 -1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.318 1.858 -0.594 1.00 0.00 H new ATOM 0 HE ARG A 56 11.417 1.049 1.486 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.450 2.527 -0.505 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.893 1.558 -0.186 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.125 -0.983 1.440 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.710 -0.412 0.906 1.00 0.00 H new ATOM 792 N CYS A 57 6.556 0.516 -0.281 1.00 0.00 N ATOM 793 CA CYS A 57 5.173 0.106 -0.632 1.00 0.00 C ATOM 794 C CYS A 57 5.221 -1.212 -1.398 1.00 0.00 C ATOM 795 O CYS A 57 6.185 -1.504 -2.087 1.00 0.00 O ATOM 796 CB CYS A 57 4.530 1.180 -1.505 1.00 0.00 C ATOM 797 SG CYS A 57 4.003 2.560 -0.464 1.00 0.00 S ATOM 0 H CYS A 57 6.908 1.329 -0.786 1.00 0.00 H new ATOM 0 HA CYS A 57 4.585 -0.020 0.277 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.239 1.527 -2.257 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.675 0.766 -2.040 1.00 0.00 H new ATOM 802 N THR A 58 4.185 -2.002 -1.277 1.00 0.00 N ATOM 803 CA THR A 58 4.134 -3.313 -1.979 1.00 0.00 C ATOM 804 C THR A 58 3.872 -3.085 -3.466 1.00 0.00 C ATOM 805 O THR A 58 4.154 -3.929 -4.294 1.00 0.00 O ATOM 806 CB THR A 58 3.001 -4.158 -1.391 1.00 0.00 C ATOM 807 OG1 THR A 58 2.155 -3.330 -0.604 1.00 0.00 O ATOM 808 CG2 THR A 58 3.589 -5.267 -0.516 1.00 0.00 C ATOM 0 H THR A 58 3.363 -1.788 -0.713 1.00 0.00 H new ATOM 0 HA THR A 58 5.084 -3.831 -1.851 1.00 0.00 H new ATOM 0 HB THR A 58 2.423 -4.605 -2.200 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.834 -3.835 0.172 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.781 -5.868 -0.098 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.238 -5.901 -1.120 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.167 -4.823 0.294 1.00 0.00 H new ATOM 816 N GLY A 59 3.331 -1.952 -3.814 1.00 0.00 N ATOM 817 CA GLY A 59 3.052 -1.676 -5.249 1.00 0.00 C ATOM 818 C GLY A 59 1.600 -2.038 -5.569 1.00 0.00 C ATOM 819 O GLY A 59 1.038 -1.578 -6.542 1.00 0.00 O ATOM 0 H GLY A 59 3.071 -1.207 -3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.232 -0.624 -5.469 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.729 -2.253 -5.879 1.00 0.00 H new ATOM 823 N GLN A 60 0.988 -2.860 -4.763 1.00 0.00 N ATOM 824 CA GLN A 60 -0.424 -3.249 -5.033 1.00 0.00 C ATOM 825 C GLN A 60 -1.310 -2.834 -3.859 1.00 0.00 C ATOM 826 O GLN A 60 -2.519 -2.798 -3.967 1.00 0.00 O ATOM 827 CB GLN A 60 -0.509 -4.763 -5.223 1.00 0.00 C ATOM 828 CG GLN A 60 0.421 -5.456 -4.225 1.00 0.00 C ATOM 829 CD GLN A 60 0.156 -6.962 -4.238 1.00 0.00 C ATOM 830 OE1 GLN A 60 -0.969 -7.391 -4.402 1.00 0.00 O ATOM 831 NE2 GLN A 60 1.151 -7.790 -4.073 1.00 0.00 N ATOM 0 H GLN A 60 1.403 -3.278 -3.931 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.767 -2.747 -5.938 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -1.535 -5.102 -5.076 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.229 -5.029 -6.242 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.461 -5.257 -4.483 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.259 -5.057 -3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.096 -7.431 -3.935 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.984 -8.796 -4.082 1.00 0.00 H new ATOM 840 N SER A 61 -0.724 -2.524 -2.734 1.00 0.00 N ATOM 841 CA SER A 61 -1.550 -2.121 -1.560 1.00 0.00 C ATOM 842 C SER A 61 -1.383 -0.623 -1.297 1.00 0.00 C ATOM 843 O SER A 61 -0.357 -0.179 -0.822 1.00 0.00 O ATOM 844 CB SER A 61 -1.103 -2.906 -0.328 1.00 0.00 C ATOM 845 OG SER A 61 -1.231 -2.083 0.824 1.00 0.00 O ATOM 0 H SER A 61 0.284 -2.532 -2.578 1.00 0.00 H new ATOM 0 HA SER A 61 -2.598 -2.335 -1.769 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.709 -3.805 -0.216 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.069 -3.230 -0.444 1.00 0.00 H new ATOM 0 HG SER A 61 -0.438 -1.514 0.909 1.00 0.00 H new ATOM 851 N ALA A 62 -2.388 0.159 -1.589 1.00 0.00 N ATOM 852 CA ALA A 62 -2.285 1.623 -1.343 1.00 0.00 C ATOM 853 C ALA A 62 -1.773 1.851 0.081 1.00 0.00 C ATOM 854 O ALA A 62 -0.983 2.740 0.335 1.00 0.00 O ATOM 855 CB ALA A 62 -3.663 2.269 -1.502 1.00 0.00 C ATOM 0 H ALA A 62 -3.274 -0.154 -1.987 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.596 2.070 -2.060 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.585 3.341 -1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.031 2.097 -2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.356 1.830 -0.784 1.00 0.00 H new ATOM 861 N ASP A 63 -2.206 1.043 1.011 1.00 0.00 N ATOM 862 CA ASP A 63 -1.735 1.201 2.415 1.00 0.00 C ATOM 863 C ASP A 63 -0.353 0.564 2.541 1.00 0.00 C ATOM 864 O ASP A 63 -0.217 -0.643 2.597 1.00 0.00 O ATOM 865 CB ASP A 63 -2.710 0.505 3.369 1.00 0.00 C ATOM 866 CG ASP A 63 -4.085 1.167 3.263 1.00 0.00 C ATOM 867 OD1 ASP A 63 -4.403 1.659 2.194 1.00 0.00 O ATOM 868 OD2 ASP A 63 -4.797 1.168 4.254 1.00 0.00 O ATOM 0 H ASP A 63 -2.866 0.280 0.858 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.683 2.259 2.672 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.784 -0.554 3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.342 0.568 4.393 1.00 0.00 H new ATOM 873 N CYS A 64 0.676 1.363 2.566 1.00 0.00 N ATOM 874 CA CYS A 64 2.051 0.805 2.666 1.00 0.00 C ATOM 875 C CYS A 64 2.156 -0.151 3.853 1.00 0.00 C ATOM 876 O CYS A 64 1.690 0.144 4.936 1.00 0.00 O ATOM 877 CB CYS A 64 3.057 1.942 2.834 1.00 0.00 C ATOM 878 SG CYS A 64 4.697 1.245 3.138 1.00 0.00 S ATOM 0 H CYS A 64 0.623 2.381 2.521 1.00 0.00 H new ATOM 0 HA CYS A 64 2.271 0.254 1.752 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.073 2.564 1.939 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.762 2.585 3.664 1.00 0.00 H new ATOM 883 N PRO A 65 2.778 -1.273 3.600 1.00 0.00 N ATOM 884 CA PRO A 65 2.984 -2.314 4.611 1.00 0.00 C ATOM 885 C PRO A 65 4.136 -1.923 5.541 1.00 0.00 C ATOM 886 O PRO A 65 4.588 -0.795 5.541 1.00 0.00 O ATOM 887 CB PRO A 65 3.346 -3.545 3.777 1.00 0.00 C ATOM 888 CG PRO A 65 3.870 -3.032 2.423 1.00 0.00 C ATOM 889 CD PRO A 65 3.333 -1.607 2.270 1.00 0.00 C ATOM 0 HA PRO A 65 2.118 -2.479 5.252 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.104 -4.144 4.282 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.475 -4.185 3.636 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.960 -3.042 2.398 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.527 -3.667 1.607 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.124 -0.914 1.985 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.568 -1.553 1.496 1.00 0.00 H new ATOM 897 N ARG A 66 4.617 -2.843 6.331 1.00 0.00 N ATOM 898 CA ARG A 66 5.741 -2.514 7.252 1.00 0.00 C ATOM 899 C ARG A 66 7.029 -3.149 6.726 1.00 0.00 C ATOM 900 O ARG A 66 7.139 -4.354 6.621 1.00 0.00 O ATOM 901 CB ARG A 66 5.435 -3.054 8.650 1.00 0.00 C ATOM 902 CG ARG A 66 5.316 -1.887 9.631 1.00 0.00 C ATOM 903 CD ARG A 66 6.290 -2.092 10.792 1.00 0.00 C ATOM 904 NE ARG A 66 5.521 -2.326 12.046 1.00 0.00 N ATOM 905 CZ ARG A 66 5.011 -3.501 12.288 1.00 0.00 C ATOM 906 NH1 ARG A 66 5.795 -4.532 12.454 1.00 0.00 N ATOM 907 NH2 ARG A 66 3.717 -3.648 12.364 1.00 0.00 N ATOM 0 H ARG A 66 4.282 -3.805 6.379 1.00 0.00 H new ATOM 0 HA ARG A 66 5.864 -1.432 7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.508 -3.627 8.635 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.225 -3.733 8.970 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.533 -0.948 9.122 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.295 -1.817 10.007 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.942 -2.941 10.588 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.931 -1.217 10.903 1.00 0.00 H new ATOM 0 HE ARG A 66 5.393 -1.567 12.715 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.807 -4.418 12.394 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.396 -5.451 12.643 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.104 -2.843 12.234 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.318 -4.568 12.553 1.00 0.00 H new ATOM 921 N ASN A 67 8.004 -2.348 6.392 1.00 0.00 N ATOM 922 CA ASN A 67 9.282 -2.909 5.870 1.00 0.00 C ATOM 923 C ASN A 67 10.373 -2.775 6.933 1.00 0.00 C ATOM 924 O ASN A 67 11.468 -3.280 6.778 1.00 0.00 O ATOM 925 CB ASN A 67 9.697 -2.146 4.611 1.00 0.00 C ATOM 926 CG ASN A 67 10.797 -2.921 3.885 1.00 0.00 C ATOM 927 OD1 ASN A 67 11.938 -2.918 4.305 1.00 0.00 O ATOM 928 ND2 ASN A 67 10.501 -3.591 2.805 1.00 0.00 N ATOM 0 H ASN A 67 7.971 -1.331 6.458 1.00 0.00 H new ATOM 0 HA ASN A 67 9.143 -3.962 5.627 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.838 -2.012 3.954 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.053 -1.151 4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.227 -4.112 2.313 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.544 -3.594 2.453 1.00 0.00 H new ATOM 935 N GLY A 68 10.088 -2.102 8.014 1.00 0.00 N ATOM 936 CA GLY A 68 11.113 -1.943 9.082 1.00 0.00 C ATOM 937 C GLY A 68 11.406 -3.308 9.707 1.00 0.00 C ATOM 938 O GLY A 68 11.026 -4.336 9.179 1.00 0.00 O ATOM 0 H GLY A 68 9.190 -1.656 8.203 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.026 -1.517 8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.757 -1.250 9.844 1.00 0.00 H new ATOM 942 N LEU A 69 12.074 -3.330 10.826 1.00 0.00 N ATOM 943 CA LEU A 69 12.388 -4.631 11.482 1.00 0.00 C ATOM 944 C LEU A 69 11.752 -4.665 12.873 1.00 0.00 C ATOM 945 O LEU A 69 12.404 -4.946 13.858 1.00 0.00 O ATOM 946 CB LEU A 69 13.905 -4.797 11.609 1.00 0.00 C ATOM 947 CG LEU A 69 14.572 -3.424 11.706 1.00 0.00 C ATOM 948 CD1 LEU A 69 15.929 -3.562 12.397 1.00 0.00 C ATOM 949 CD2 LEU A 69 14.774 -2.858 10.298 1.00 0.00 C ATOM 0 H LEU A 69 12.417 -2.503 11.315 1.00 0.00 H new ATOM 0 HA LEU A 69 11.989 -5.445 10.877 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.142 -5.390 12.493 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.294 -5.340 10.747 1.00 0.00 H new ATOM 0 HG LEU A 69 13.938 -2.752 12.284 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.404 -2.583 12.466 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.788 -3.968 13.399 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.565 -4.234 11.820 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.249 -1.879 10.364 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.409 -3.532 9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.808 -2.759 9.803 1.00 0.00 H new ATOM 961 N TYR A 70 10.481 -4.378 12.959 1.00 0.00 N ATOM 962 CA TYR A 70 9.801 -4.393 14.285 1.00 0.00 C ATOM 963 C TYR A 70 9.036 -5.707 14.450 1.00 0.00 C ATOM 964 O TYR A 70 8.685 -6.358 13.486 1.00 0.00 O ATOM 965 CB TYR A 70 8.824 -3.217 14.366 1.00 0.00 C ATOM 966 CG TYR A 70 9.512 -1.960 13.892 1.00 0.00 C ATOM 967 CD1 TYR A 70 10.852 -1.728 14.223 1.00 0.00 C ATOM 968 CD2 TYR A 70 8.811 -1.027 13.118 1.00 0.00 C ATOM 969 CE1 TYR A 70 11.491 -0.562 13.783 1.00 0.00 C ATOM 970 CE2 TYR A 70 9.449 0.138 12.678 1.00 0.00 C ATOM 971 CZ TYR A 70 10.789 0.370 13.010 1.00 0.00 C ATOM 972 OH TYR A 70 11.419 1.519 12.576 1.00 0.00 O ATOM 0 H TYR A 70 9.885 -4.134 12.168 1.00 0.00 H new ATOM 0 HA TYR A 70 10.543 -4.305 15.078 1.00 0.00 H new ATOM 0 HB2 TYR A 70 7.945 -3.417 13.753 1.00 0.00 H new ATOM 0 HB3 TYR A 70 8.475 -3.090 15.391 1.00 0.00 H new ATOM 0 HD1 TYR A 70 11.394 -2.449 14.818 1.00 0.00 H new ATOM 0 HD2 TYR A 70 7.778 -1.207 12.861 1.00 0.00 H new ATOM 0 HE1 TYR A 70 12.524 -0.382 14.040 1.00 0.00 H new ATOM 0 HE2 TYR A 70 8.908 0.858 12.082 1.00 0.00 H new ATOM 0 HH TYR A 70 12.372 1.338 12.439 1.00 0.00 H new ATOM 982 N GLY A 71 8.773 -6.102 15.666 1.00 0.00 N ATOM 983 CA GLY A 71 8.032 -7.375 15.892 1.00 0.00 C ATOM 984 C GLY A 71 6.529 -7.117 15.780 1.00 0.00 C ATOM 985 O GLY A 71 5.867 -7.875 15.090 1.00 0.00 O ATOM 986 OXT GLY A 71 6.065 -6.165 16.386 1.00 0.00 O ATOM 0 H GLY A 71 9.039 -5.598 16.512 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.339 -8.122 15.160 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.270 -7.777 16.877 1.00 0.00 H new TER 990 GLY A 71