USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 422 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 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 170:sc= -1.29! USER MOD Single : A 11 ASN : amide:sc= -2.4! C(o=-2.4!,f=-7.4!) USER MOD Single : A 18 THR OG1 : rot 4:sc= 0.18 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -7.37! C(o=-7.4!,f=-6.3!) USER MOD Single : A 35 GLN : amide:sc= -0.517 X(o=-0.52,f=-0.12) USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0657) USER MOD Single : A 39 SER OG : rot -177:sc= -2.46! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -101:sc= -0.107 (180deg=-2.2!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.054) USER MOD Single : A 61 SER OG : rot -101:sc= 0.00248 USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -11.884 -6.072 5.889 1.00 0.00 N ATOM 33 CA GLU A 3 -13.341 -5.766 5.963 1.00 0.00 C ATOM 34 C GLU A 3 -13.549 -4.252 6.001 1.00 0.00 C ATOM 35 O GLU A 3 -14.648 -3.763 5.833 1.00 0.00 O ATOM 36 CB GLU A 3 -13.931 -6.392 7.229 1.00 0.00 C ATOM 37 CG GLU A 3 -15.436 -6.588 7.045 1.00 0.00 C ATOM 38 CD GLU A 3 -15.692 -7.894 6.291 1.00 0.00 C ATOM 39 OE1 GLU A 3 -14.936 -8.187 5.380 1.00 0.00 O ATOM 40 OE2 GLU A 3 -16.640 -8.579 6.638 1.00 0.00 O ATOM 0 HA GLU A 3 -13.840 -6.177 5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.451 -7.349 7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.739 -5.750 8.089 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.932 -6.613 8.016 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.858 -5.748 6.493 1.00 0.00 H new ATOM 47 N CYS A 4 -12.503 -3.503 6.217 1.00 0.00 N ATOM 48 CA CYS A 4 -12.650 -2.023 6.261 1.00 0.00 C ATOM 49 C CYS A 4 -11.688 -1.384 5.256 1.00 0.00 C ATOM 50 O CYS A 4 -10.505 -1.257 5.502 1.00 0.00 O ATOM 51 CB CYS A 4 -12.334 -1.510 7.668 1.00 0.00 C ATOM 52 SG CYS A 4 -13.633 -2.035 8.816 1.00 0.00 S ATOM 0 H CYS A 4 -11.556 -3.852 6.364 1.00 0.00 H new ATOM 0 HA CYS A 4 -13.676 -1.757 6.005 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -11.368 -1.893 7.997 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -12.260 -0.423 7.661 1.00 0.00 H new ATOM 57 N ASP A 5 -12.196 -0.983 4.127 1.00 0.00 N ATOM 58 CA ASP A 5 -11.334 -0.349 3.091 1.00 0.00 C ATOM 59 C ASP A 5 -10.770 0.967 3.635 1.00 0.00 C ATOM 60 O ASP A 5 -9.612 1.283 3.444 1.00 0.00 O ATOM 61 CB ASP A 5 -12.169 -0.075 1.836 1.00 0.00 C ATOM 62 CG ASP A 5 -11.242 0.095 0.631 1.00 0.00 C ATOM 63 OD1 ASP A 5 -10.810 1.210 0.394 1.00 0.00 O ATOM 64 OD2 ASP A 5 -10.982 -0.894 -0.035 1.00 0.00 O ATOM 0 H ASP A 5 -13.181 -1.068 3.874 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.510 -1.017 2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.862 -0.898 1.661 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.770 0.824 1.975 1.00 0.00 H new ATOM 69 N CYS A 6 -11.575 1.733 4.321 1.00 0.00 N ATOM 70 CA CYS A 6 -11.079 3.024 4.883 1.00 0.00 C ATOM 71 C CYS A 6 -11.477 3.112 6.358 1.00 0.00 C ATOM 72 O CYS A 6 -12.029 2.186 6.918 1.00 0.00 O ATOM 73 CB CYS A 6 -11.692 4.208 4.123 1.00 0.00 C ATOM 74 SG CYS A 6 -12.076 3.728 2.420 1.00 0.00 S ATOM 0 H CYS A 6 -12.553 1.522 4.517 1.00 0.00 H new ATOM 0 HA CYS A 6 -9.994 3.063 4.782 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -12.599 4.543 4.627 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -10.998 5.048 4.124 1.00 0.00 H new ATOM 79 N SER A 7 -11.200 4.219 6.994 1.00 0.00 N ATOM 80 CA SER A 7 -11.565 4.357 8.432 1.00 0.00 C ATOM 81 C SER A 7 -12.258 5.702 8.662 1.00 0.00 C ATOM 82 O SER A 7 -12.116 6.314 9.702 1.00 0.00 O ATOM 83 CB SER A 7 -10.301 4.285 9.288 1.00 0.00 C ATOM 84 OG SER A 7 -9.763 2.971 9.220 1.00 0.00 O ATOM 0 H SER A 7 -10.739 5.030 6.581 1.00 0.00 H new ATOM 0 HA SER A 7 -12.242 3.549 8.710 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.567 5.010 8.935 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.532 4.543 10.321 1.00 0.00 H new ATOM 0 HG SER A 7 -8.951 2.921 9.767 1.00 0.00 H new ATOM 90 N SER A 8 -13.009 6.167 7.701 1.00 0.00 N ATOM 91 CA SER A 8 -13.708 7.471 7.870 1.00 0.00 C ATOM 92 C SER A 8 -15.221 7.264 7.711 1.00 0.00 C ATOM 93 O SER A 8 -15.676 6.856 6.661 1.00 0.00 O ATOM 94 CB SER A 8 -13.216 8.450 6.804 1.00 0.00 C ATOM 95 OG SER A 8 -14.171 9.491 6.646 1.00 0.00 O ATOM 0 H SER A 8 -13.168 5.701 6.808 1.00 0.00 H new ATOM 0 HA SER A 8 -13.497 7.872 8.861 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.251 8.867 7.094 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.067 7.930 5.857 1.00 0.00 H new ATOM 0 HG SER A 8 -13.791 10.201 6.087 1.00 0.00 H new ATOM 101 N PRO A 9 -15.959 7.549 8.758 1.00 0.00 N ATOM 102 CA PRO A 9 -17.426 7.400 8.754 1.00 0.00 C ATOM 103 C PRO A 9 -18.078 8.561 7.997 1.00 0.00 C ATOM 104 O PRO A 9 -19.284 8.628 7.862 1.00 0.00 O ATOM 105 CB PRO A 9 -17.795 7.436 10.239 1.00 0.00 C ATOM 106 CG PRO A 9 -16.632 8.155 10.961 1.00 0.00 C ATOM 107 CD PRO A 9 -15.406 8.046 10.034 1.00 0.00 C ATOM 0 HA PRO A 9 -17.765 6.489 8.260 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -18.735 7.967 10.393 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.931 6.428 10.630 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.881 9.199 11.153 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -16.430 7.692 11.927 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.916 9.011 9.907 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.661 7.361 10.438 1.00 0.00 H new ATOM 115 N GLU A 10 -17.289 9.473 7.499 1.00 0.00 N ATOM 116 CA GLU A 10 -17.861 10.626 6.747 1.00 0.00 C ATOM 117 C GLU A 10 -17.147 10.752 5.400 1.00 0.00 C ATOM 118 O GLU A 10 -17.114 11.806 4.799 1.00 0.00 O ATOM 119 CB GLU A 10 -17.662 11.911 7.555 1.00 0.00 C ATOM 120 CG GLU A 10 -18.541 11.868 8.807 1.00 0.00 C ATOM 121 CD GLU A 10 -19.032 13.279 9.138 1.00 0.00 C ATOM 122 OE1 GLU A 10 -19.411 13.983 8.218 1.00 0.00 O ATOM 123 OE2 GLU A 10 -19.021 13.630 10.306 1.00 0.00 O ATOM 0 H GLU A 10 -16.272 9.470 7.580 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.926 10.465 6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.614 12.017 7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -17.918 12.779 6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -19.391 11.205 8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.976 11.462 9.646 1.00 0.00 H new ATOM 130 N ASN A 11 -16.571 9.681 4.923 1.00 0.00 N ATOM 131 CA ASN A 11 -15.854 9.736 3.619 1.00 0.00 C ATOM 132 C ASN A 11 -16.760 9.186 2.510 1.00 0.00 C ATOM 133 O ASN A 11 -17.437 8.196 2.703 1.00 0.00 O ATOM 134 CB ASN A 11 -14.587 8.882 3.704 1.00 0.00 C ATOM 135 CG ASN A 11 -13.406 9.653 3.112 1.00 0.00 C ATOM 136 OD1 ASN A 11 -13.515 10.828 2.822 1.00 0.00 O ATOM 137 ND2 ASN A 11 -12.273 9.035 2.921 1.00 0.00 N ATOM 0 H ASN A 11 -16.567 8.770 5.382 1.00 0.00 H new ATOM 0 HA ASN A 11 -15.589 10.769 3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -14.381 8.622 4.742 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -14.730 7.946 3.164 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.478 9.538 2.528 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.183 8.049 3.165 1.00 0.00 H new ATOM 144 N PRO A 12 -16.741 9.842 1.377 1.00 0.00 N ATOM 145 CA PRO A 12 -17.549 9.437 0.213 1.00 0.00 C ATOM 146 C PRO A 12 -16.875 8.271 -0.512 1.00 0.00 C ATOM 147 O PRO A 12 -17.499 7.547 -1.262 1.00 0.00 O ATOM 148 CB PRO A 12 -17.560 10.689 -0.667 1.00 0.00 C ATOM 149 CG PRO A 12 -16.321 11.521 -0.260 1.00 0.00 C ATOM 150 CD PRO A 12 -15.917 11.048 1.149 1.00 0.00 C ATOM 0 HA PRO A 12 -18.551 9.100 0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.518 10.422 -1.723 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -18.477 11.260 -0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -15.505 11.372 -0.967 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -16.553 12.586 -0.260 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -14.853 10.819 1.202 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.116 11.814 1.899 1.00 0.00 H new ATOM 158 N CYS A 13 -15.600 8.090 -0.296 1.00 0.00 N ATOM 159 CA CYS A 13 -14.875 6.980 -0.973 1.00 0.00 C ATOM 160 C CYS A 13 -15.054 5.682 -0.182 1.00 0.00 C ATOM 161 O CYS A 13 -14.491 4.660 -0.518 1.00 0.00 O ATOM 162 CB CYS A 13 -13.387 7.326 -1.054 1.00 0.00 C ATOM 163 SG CYS A 13 -13.054 8.164 -2.623 1.00 0.00 S ATOM 0 H CYS A 13 -15.029 8.666 0.322 1.00 0.00 H new ATOM 0 HA CYS A 13 -15.278 6.845 -1.977 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -13.105 7.967 -0.219 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.786 6.420 -0.978 1.00 0.00 H new ATOM 168 N CYS A 14 -15.832 5.710 0.866 1.00 0.00 N ATOM 169 CA CYS A 14 -16.034 4.470 1.665 1.00 0.00 C ATOM 170 C CYS A 14 -17.444 4.452 2.257 1.00 0.00 C ATOM 171 O CYS A 14 -18.155 5.437 2.231 1.00 0.00 O ATOM 172 CB CYS A 14 -15.001 4.411 2.789 1.00 0.00 C ATOM 173 SG CYS A 14 -13.939 2.965 2.547 1.00 0.00 S ATOM 0 H CYS A 14 -16.333 6.533 1.201 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.912 3.603 1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.401 5.321 2.795 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -15.501 4.352 3.756 1.00 0.00 H new ATOM 178 N ASP A 15 -17.852 3.332 2.788 1.00 0.00 N ATOM 179 CA ASP A 15 -19.215 3.233 3.378 1.00 0.00 C ATOM 180 C ASP A 15 -19.105 2.881 4.864 1.00 0.00 C ATOM 181 O ASP A 15 -18.563 1.856 5.230 1.00 0.00 O ATOM 182 CB ASP A 15 -19.999 2.138 2.651 1.00 0.00 C ATOM 183 CG ASP A 15 -21.500 2.400 2.793 1.00 0.00 C ATOM 184 OD1 ASP A 15 -22.037 3.114 1.962 1.00 0.00 O ATOM 185 OD2 ASP A 15 -22.085 1.883 3.729 1.00 0.00 O ATOM 0 H ASP A 15 -17.297 2.478 2.838 1.00 0.00 H new ATOM 0 HA ASP A 15 -19.731 4.187 3.270 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -19.722 2.117 1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -19.749 1.162 3.066 1.00 0.00 H new ATOM 190 N ALA A 16 -19.618 3.722 5.721 1.00 0.00 N ATOM 191 CA ALA A 16 -19.545 3.436 7.181 1.00 0.00 C ATOM 192 C ALA A 16 -20.206 2.087 7.471 1.00 0.00 C ATOM 193 O ALA A 16 -19.873 1.414 8.426 1.00 0.00 O ATOM 194 CB ALA A 16 -20.275 4.539 7.952 1.00 0.00 C ATOM 0 H ALA A 16 -20.084 4.594 5.472 1.00 0.00 H new ATOM 0 HA ALA A 16 -18.501 3.403 7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.223 4.332 9.021 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.804 5.500 7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -21.319 4.572 7.639 1.00 0.00 H new ATOM 200 N ALA A 17 -21.141 1.686 6.652 1.00 0.00 N ATOM 201 CA ALA A 17 -21.823 0.380 6.881 1.00 0.00 C ATOM 202 C ALA A 17 -20.774 -0.728 7.009 1.00 0.00 C ATOM 203 O ALA A 17 -20.606 -1.317 8.058 1.00 0.00 O ATOM 204 CB ALA A 17 -22.747 0.073 5.701 1.00 0.00 C ATOM 0 H ALA A 17 -21.462 2.206 5.835 1.00 0.00 H new ATOM 0 HA ALA A 17 -22.410 0.433 7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -23.246 -0.882 5.868 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -23.494 0.861 5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -22.161 0.020 4.784 1.00 0.00 H new ATOM 210 N THR A 18 -20.069 -1.016 5.949 1.00 0.00 N ATOM 211 CA THR A 18 -19.035 -2.086 6.013 1.00 0.00 C ATOM 212 C THR A 18 -17.643 -1.452 5.951 1.00 0.00 C ATOM 213 O THR A 18 -16.687 -2.076 5.539 1.00 0.00 O ATOM 214 CB THR A 18 -19.214 -3.043 4.831 1.00 0.00 C ATOM 215 OG1 THR A 18 -18.026 -3.800 4.653 1.00 0.00 O ATOM 216 CG2 THR A 18 -19.507 -2.241 3.562 1.00 0.00 C ATOM 0 H THR A 18 -20.165 -0.557 5.043 1.00 0.00 H new ATOM 0 HA THR A 18 -19.142 -2.640 6.946 1.00 0.00 H new ATOM 0 HB THR A 18 -20.047 -3.717 5.031 1.00 0.00 H new ATOM 0 HG1 THR A 18 -17.391 -3.585 5.368 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.634 -2.923 2.722 1.00 0.00 H new ATOM 0 HG22 THR A 18 -20.420 -1.662 3.700 1.00 0.00 H new ATOM 0 HG23 THR A 18 -18.676 -1.566 3.358 1.00 0.00 H new ATOM 224 N CYS A 19 -17.534 -0.211 6.352 1.00 0.00 N ATOM 225 CA CYS A 19 -16.212 0.487 6.330 1.00 0.00 C ATOM 226 C CYS A 19 -15.457 0.131 5.050 1.00 0.00 C ATOM 227 O CYS A 19 -14.249 0.008 5.049 1.00 0.00 O ATOM 228 CB CYS A 19 -15.372 0.116 7.567 1.00 0.00 C ATOM 229 SG CYS A 19 -15.362 -1.675 7.832 1.00 0.00 S ATOM 0 H CYS A 19 -18.311 0.353 6.697 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.389 1.562 6.353 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -14.350 0.474 7.438 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -15.776 0.615 8.448 1.00 0.00 H new ATOM 234 N LYS A 20 -16.151 -0.039 3.957 1.00 0.00 N ATOM 235 CA LYS A 20 -15.449 -0.392 2.691 1.00 0.00 C ATOM 236 C LYS A 20 -15.651 0.706 1.648 1.00 0.00 C ATOM 237 O LYS A 20 -16.288 1.708 1.897 1.00 0.00 O ATOM 238 CB LYS A 20 -15.982 -1.717 2.154 1.00 0.00 C ATOM 239 CG LYS A 20 -15.370 -2.873 2.945 1.00 0.00 C ATOM 240 CD LYS A 20 -15.249 -4.101 2.041 1.00 0.00 C ATOM 241 CE LYS A 20 -14.080 -3.910 1.072 1.00 0.00 C ATOM 242 NZ LYS A 20 -13.823 -5.185 0.345 1.00 0.00 N ATOM 0 H LYS A 20 -17.165 0.050 3.886 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.383 -0.490 2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.069 -1.743 2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.738 -1.817 1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.388 -2.589 3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.991 -3.105 3.810 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.093 -4.995 2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.175 -4.249 1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.308 -3.114 0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.188 -3.604 1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.029 -5.055 -0.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.588 -5.933 1.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.673 -5.458 -0.188 1.00 0.00 H new ATOM 256 N LEU A 21 -15.088 0.527 0.485 1.00 0.00 N ATOM 257 CA LEU A 21 -15.214 1.561 -0.579 1.00 0.00 C ATOM 258 C LEU A 21 -16.665 1.702 -1.031 1.00 0.00 C ATOM 259 O LEU A 21 -17.420 0.749 -1.063 1.00 0.00 O ATOM 260 CB LEU A 21 -14.357 1.166 -1.777 1.00 0.00 C ATOM 261 CG LEU A 21 -12.911 1.586 -1.525 1.00 0.00 C ATOM 262 CD1 LEU A 21 -11.966 0.560 -2.150 1.00 0.00 C ATOM 263 CD2 LEU A 21 -12.672 2.959 -2.153 1.00 0.00 C ATOM 0 H LEU A 21 -14.543 -0.295 0.225 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.877 2.515 -0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.412 0.089 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.734 1.644 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.723 1.638 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.933 0.860 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.143 -0.418 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.146 0.506 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.641 3.265 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.856 2.905 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.348 3.687 -1.705 1.00 0.00 H new ATOM 275 N ARG A 22 -17.050 2.895 -1.385 1.00 0.00 N ATOM 276 CA ARG A 22 -18.445 3.132 -1.847 1.00 0.00 C ATOM 277 C ARG A 22 -18.497 3.168 -3.383 1.00 0.00 C ATOM 278 O ARG A 22 -19.259 2.436 -3.984 1.00 0.00 O ATOM 279 CB ARG A 22 -18.953 4.462 -1.284 1.00 0.00 C ATOM 280 CG ARG A 22 -20.186 4.213 -0.414 1.00 0.00 C ATOM 281 CD ARG A 22 -21.308 3.628 -1.272 1.00 0.00 C ATOM 282 NE ARG A 22 -22.612 4.204 -0.843 1.00 0.00 N ATOM 283 CZ ARG A 22 -23.721 3.771 -1.377 1.00 0.00 C ATOM 284 NH1 ARG A 22 -23.903 3.861 -2.665 1.00 0.00 N ATOM 285 NH2 ARG A 22 -24.648 3.246 -0.622 1.00 0.00 N ATOM 0 H ARG A 22 -16.454 3.722 -1.374 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.079 2.320 -1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -18.171 4.942 -0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -19.202 5.142 -2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -19.939 3.528 0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -20.514 5.145 0.045 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -21.129 3.849 -2.324 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -21.328 2.543 -1.173 1.00 0.00 H new ATOM 0 HE ARG A 22 -22.638 4.936 -0.133 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -23.178 4.270 -3.255 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -24.770 3.522 -3.082 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -24.505 3.174 0.385 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -25.515 2.908 -1.040 1.00 0.00 H new ATOM 299 N PRO A 23 -17.701 4.028 -3.983 1.00 0.00 N ATOM 300 CA PRO A 23 -17.663 4.176 -5.448 1.00 0.00 C ATOM 301 C PRO A 23 -16.786 3.094 -6.086 1.00 0.00 C ATOM 302 O PRO A 23 -16.471 2.093 -5.473 1.00 0.00 O ATOM 303 CB PRO A 23 -17.049 5.562 -5.654 1.00 0.00 C ATOM 304 CG PRO A 23 -16.256 5.885 -4.365 1.00 0.00 C ATOM 305 CD PRO A 23 -16.770 4.930 -3.271 1.00 0.00 C ATOM 0 HA PRO A 23 -18.646 4.073 -5.908 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -16.394 5.571 -6.525 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -17.824 6.308 -5.830 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -15.187 5.748 -4.525 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -16.404 6.924 -4.071 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -15.952 4.375 -2.811 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -17.275 5.474 -2.473 1.00 0.00 H new ATOM 313 N GLY A 24 -16.394 3.290 -7.315 1.00 0.00 N ATOM 314 CA GLY A 24 -15.543 2.279 -8.001 1.00 0.00 C ATOM 315 C GLY A 24 -14.073 2.511 -7.640 1.00 0.00 C ATOM 316 O GLY A 24 -13.181 1.946 -8.240 1.00 0.00 O ATOM 0 H GLY A 24 -16.628 4.110 -7.875 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.846 1.274 -7.706 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.678 2.348 -9.080 1.00 0.00 H new ATOM 320 N ALA A 25 -13.814 3.334 -6.661 1.00 0.00 N ATOM 321 CA ALA A 25 -12.402 3.595 -6.262 1.00 0.00 C ATOM 322 C ALA A 25 -11.807 2.325 -5.667 1.00 0.00 C ATOM 323 O ALA A 25 -12.482 1.561 -5.007 1.00 0.00 O ATOM 324 CB ALA A 25 -12.364 4.716 -5.221 1.00 0.00 C ATOM 0 H ALA A 25 -14.518 3.836 -6.121 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.823 3.895 -7.135 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.331 4.907 -4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.794 5.623 -5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.940 4.418 -4.345 1.00 0.00 H new ATOM 330 N GLN A 26 -10.547 2.092 -5.898 1.00 0.00 N ATOM 331 CA GLN A 26 -9.901 0.880 -5.354 1.00 0.00 C ATOM 332 C GLN A 26 -9.620 1.108 -3.864 1.00 0.00 C ATOM 333 O GLN A 26 -9.522 0.179 -3.088 1.00 0.00 O ATOM 334 CB GLN A 26 -8.606 0.643 -6.150 1.00 0.00 C ATOM 335 CG GLN A 26 -7.516 0.042 -5.269 1.00 0.00 C ATOM 336 CD GLN A 26 -7.858 -1.413 -4.946 1.00 0.00 C ATOM 337 OE1 GLN A 26 -7.812 -2.265 -5.811 1.00 0.00 O ATOM 338 NE2 GLN A 26 -8.203 -1.736 -3.732 1.00 0.00 N ATOM 0 H GLN A 26 -9.936 2.698 -6.446 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.536 -0.001 -5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.809 -0.024 -6.988 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.258 1.586 -6.571 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.553 0.095 -5.778 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.422 0.617 -4.348 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.242 -1.021 -3.006 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.434 -2.704 -3.508 1.00 0.00 H new ATOM 347 N CYS A 27 -9.501 2.344 -3.458 1.00 0.00 N ATOM 348 CA CYS A 27 -9.238 2.637 -2.022 1.00 0.00 C ATOM 349 C CYS A 27 -9.829 3.998 -1.660 1.00 0.00 C ATOM 350 O CYS A 27 -10.191 4.779 -2.517 1.00 0.00 O ATOM 351 CB CYS A 27 -7.732 2.662 -1.770 1.00 0.00 C ATOM 352 SG CYS A 27 -6.948 3.832 -2.901 1.00 0.00 S ATOM 0 H CYS A 27 -9.575 3.163 -4.061 1.00 0.00 H new ATOM 0 HA CYS A 27 -9.699 1.862 -1.409 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -7.531 2.948 -0.738 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.313 1.666 -1.913 1.00 0.00 H new ATOM 357 N GLY A 28 -9.918 4.290 -0.394 1.00 0.00 N ATOM 358 CA GLY A 28 -10.474 5.603 0.032 1.00 0.00 C ATOM 359 C GLY A 28 -9.381 6.398 0.731 1.00 0.00 C ATOM 360 O GLY A 28 -9.308 7.605 0.620 1.00 0.00 O ATOM 0 H GLY A 28 -9.629 3.674 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.846 6.153 -0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.320 5.454 0.703 1.00 0.00 H new ATOM 364 N GLU A 29 -8.530 5.732 1.451 1.00 0.00 N ATOM 365 CA GLU A 29 -7.445 6.450 2.158 1.00 0.00 C ATOM 366 C GLU A 29 -6.205 5.555 2.243 1.00 0.00 C ATOM 367 O GLU A 29 -6.304 4.344 2.272 1.00 0.00 O ATOM 368 CB GLU A 29 -7.929 6.814 3.556 1.00 0.00 C ATOM 369 CG GLU A 29 -8.018 5.550 4.410 1.00 0.00 C ATOM 370 CD GLU A 29 -6.690 5.327 5.136 1.00 0.00 C ATOM 371 OE1 GLU A 29 -5.993 6.301 5.366 1.00 0.00 O ATOM 372 OE2 GLU A 29 -6.392 4.186 5.448 1.00 0.00 O ATOM 0 H GLU A 29 -8.540 4.720 1.580 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.182 7.358 1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.245 7.528 4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.904 7.297 3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.828 5.644 5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.250 4.690 3.782 1.00 0.00 H new ATOM 379 N GLY A 30 -5.038 6.139 2.283 1.00 0.00 N ATOM 380 CA GLY A 30 -3.797 5.318 2.365 1.00 0.00 C ATOM 381 C GLY A 30 -2.597 6.162 1.925 1.00 0.00 C ATOM 382 O GLY A 30 -2.738 7.133 1.208 1.00 0.00 O ATOM 0 H GLY A 30 -4.891 7.148 2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.650 4.962 3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.888 4.437 1.730 1.00 0.00 H new ATOM 386 N LEU A 31 -1.416 5.800 2.349 1.00 0.00 N ATOM 387 CA LEU A 31 -0.211 6.582 1.954 1.00 0.00 C ATOM 388 C LEU A 31 0.044 6.408 0.456 1.00 0.00 C ATOM 389 O LEU A 31 0.546 7.296 -0.205 1.00 0.00 O ATOM 390 CB LEU A 31 1.008 6.080 2.734 1.00 0.00 C ATOM 391 CG LEU A 31 1.455 7.151 3.729 1.00 0.00 C ATOM 392 CD1 LEU A 31 2.776 6.728 4.375 1.00 0.00 C ATOM 393 CD2 LEU A 31 1.651 8.479 2.995 1.00 0.00 C ATOM 0 H LEU A 31 -1.235 4.997 2.951 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.379 7.636 2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.761 5.159 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.821 5.845 2.047 1.00 0.00 H new ATOM 0 HG LEU A 31 0.694 7.270 4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.095 7.492 5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.639 5.781 4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.537 6.609 3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.970 9.243 3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.412 8.360 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.711 8.782 2.533 1.00 0.00 H new ATOM 405 N CYS A 32 -0.292 5.270 -0.085 1.00 0.00 N ATOM 406 CA CYS A 32 -0.061 5.040 -1.539 1.00 0.00 C ATOM 407 C CYS A 32 -1.400 4.942 -2.270 1.00 0.00 C ATOM 408 O CYS A 32 -1.728 3.924 -2.847 1.00 0.00 O ATOM 409 CB CYS A 32 0.714 3.736 -1.731 1.00 0.00 C ATOM 410 SG CYS A 32 2.433 3.977 -1.223 1.00 0.00 S ATOM 0 H CYS A 32 -0.716 4.490 0.416 1.00 0.00 H new ATOM 0 HA CYS A 32 0.512 5.873 -1.946 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.258 2.939 -1.143 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.672 3.426 -2.775 1.00 0.00 H new ATOM 415 N CYS A 33 -2.176 5.988 -2.257 1.00 0.00 N ATOM 416 CA CYS A 33 -3.486 5.943 -2.960 1.00 0.00 C ATOM 417 C CYS A 33 -3.837 7.340 -3.473 1.00 0.00 C ATOM 418 O CYS A 33 -4.002 8.270 -2.710 1.00 0.00 O ATOM 419 CB CYS A 33 -4.569 5.457 -1.996 1.00 0.00 C ATOM 420 SG CYS A 33 -4.995 3.749 -2.399 1.00 0.00 S ATOM 0 H CYS A 33 -1.961 6.870 -1.791 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.423 5.255 -3.803 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.214 5.523 -0.967 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.452 6.092 -2.071 1.00 0.00 H new ATOM 425 N GLU A 34 -3.956 7.491 -4.763 1.00 0.00 N ATOM 426 CA GLU A 34 -4.297 8.824 -5.328 1.00 0.00 C ATOM 427 C GLU A 34 -5.689 8.762 -5.954 1.00 0.00 C ATOM 428 O GLU A 34 -6.006 7.857 -6.699 1.00 0.00 O ATOM 429 CB GLU A 34 -3.271 9.208 -6.397 1.00 0.00 C ATOM 430 CG GLU A 34 -1.867 9.175 -5.792 1.00 0.00 C ATOM 431 CD GLU A 34 -0.825 9.321 -6.904 1.00 0.00 C ATOM 432 OE1 GLU A 34 -0.608 10.439 -7.342 1.00 0.00 O ATOM 433 OE2 GLU A 34 -0.263 8.312 -7.298 1.00 0.00 O ATOM 0 H GLU A 34 -3.831 6.747 -5.450 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.284 9.571 -4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.332 8.518 -7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.488 10.204 -6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.754 9.980 -5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.713 8.238 -5.256 1.00 0.00 H new ATOM 440 N GLN A 35 -6.525 9.716 -5.654 1.00 0.00 N ATOM 441 CA GLN A 35 -7.897 9.708 -6.230 1.00 0.00 C ATOM 442 C GLN A 35 -8.647 8.471 -5.733 1.00 0.00 C ATOM 443 O GLN A 35 -9.455 7.898 -6.438 1.00 0.00 O ATOM 444 CB GLN A 35 -7.809 9.679 -7.757 1.00 0.00 C ATOM 445 CG GLN A 35 -6.817 10.745 -8.229 1.00 0.00 C ATOM 446 CD GLN A 35 -7.474 11.618 -9.298 1.00 0.00 C ATOM 447 OE1 GLN A 35 -6.869 11.923 -10.307 1.00 0.00 O ATOM 448 NE2 GLN A 35 -8.697 12.039 -9.120 1.00 0.00 N ATOM 0 H GLN A 35 -6.317 10.500 -5.035 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.431 10.605 -5.918 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.489 8.693 -8.095 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.791 9.862 -8.193 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.500 11.360 -7.387 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.922 10.271 -8.632 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.206 11.784 -8.274 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.143 12.623 -9.827 1.00 0.00 H new ATOM 457 N CYS A 36 -8.387 8.055 -4.523 1.00 0.00 N ATOM 458 CA CYS A 36 -9.082 6.856 -3.976 1.00 0.00 C ATOM 459 C CYS A 36 -8.737 5.632 -4.824 1.00 0.00 C ATOM 460 O CYS A 36 -9.577 4.797 -5.098 1.00 0.00 O ATOM 461 CB CYS A 36 -10.594 7.087 -4.001 1.00 0.00 C ATOM 462 SG CYS A 36 -11.040 8.273 -2.710 1.00 0.00 S ATOM 0 H CYS A 36 -7.721 8.496 -3.888 1.00 0.00 H new ATOM 0 HA CYS A 36 -8.758 6.686 -2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.900 7.463 -4.977 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.120 6.145 -3.843 1.00 0.00 H new ATOM 467 N LYS A 37 -7.506 5.517 -5.240 1.00 0.00 N ATOM 468 CA LYS A 37 -7.104 4.346 -6.070 1.00 0.00 C ATOM 469 C LYS A 37 -5.708 3.888 -5.655 1.00 0.00 C ATOM 470 O LYS A 37 -4.947 4.638 -5.076 1.00 0.00 O ATOM 471 CB LYS A 37 -7.091 4.756 -7.546 1.00 0.00 C ATOM 472 CG LYS A 37 -7.271 3.516 -8.425 1.00 0.00 C ATOM 473 CD LYS A 37 -7.959 3.915 -9.732 1.00 0.00 C ATOM 474 CE LYS A 37 -9.408 4.315 -9.445 1.00 0.00 C ATOM 475 NZ LYS A 37 -9.616 5.739 -9.832 1.00 0.00 N ATOM 0 H LYS A 37 -6.760 6.184 -5.041 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.812 3.530 -5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.889 5.472 -7.742 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.151 5.252 -7.788 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.303 3.062 -8.635 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.867 2.769 -7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.427 4.745 -10.197 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.933 3.084 -10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.091 3.672 -10.001 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.632 4.178 -8.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.485 6.097 -9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.805 6.307 -9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.704 5.808 -10.866 1.00 0.00 H new ATOM 489 N PHE A 38 -5.358 2.666 -5.945 1.00 0.00 N ATOM 490 CA PHE A 38 -4.005 2.177 -5.562 1.00 0.00 C ATOM 491 C PHE A 38 -2.952 2.926 -6.376 1.00 0.00 C ATOM 492 O PHE A 38 -3.054 3.051 -7.580 1.00 0.00 O ATOM 493 CB PHE A 38 -3.896 0.679 -5.858 1.00 0.00 C ATOM 494 CG PHE A 38 -4.540 -0.135 -4.757 1.00 0.00 C ATOM 495 CD1 PHE A 38 -5.174 0.494 -3.674 1.00 0.00 C ATOM 496 CD2 PHE A 38 -4.508 -1.532 -4.827 1.00 0.00 C ATOM 497 CE1 PHE A 38 -5.770 -0.277 -2.669 1.00 0.00 C ATOM 498 CE2 PHE A 38 -5.105 -2.300 -3.822 1.00 0.00 C ATOM 499 CZ PHE A 38 -5.736 -1.673 -2.742 1.00 0.00 C ATOM 0 H PHE A 38 -5.947 1.988 -6.428 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.845 2.350 -4.498 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.377 0.456 -6.810 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.847 0.399 -5.958 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.202 1.572 -3.616 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.021 -2.019 -5.659 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.257 0.207 -1.836 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.079 -3.378 -3.880 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.196 -2.266 -1.966 1.00 0.00 H new ATOM 509 N SER A 39 -1.938 3.427 -5.726 1.00 0.00 N ATOM 510 CA SER A 39 -0.877 4.171 -6.460 1.00 0.00 C ATOM 511 C SER A 39 -0.072 3.188 -7.320 1.00 0.00 C ATOM 512 O SER A 39 -0.604 2.581 -8.229 1.00 0.00 O ATOM 513 CB SER A 39 0.038 4.873 -5.452 1.00 0.00 C ATOM 514 OG SER A 39 -0.732 5.779 -4.672 1.00 0.00 O ATOM 0 H SER A 39 -1.799 3.353 -4.718 1.00 0.00 H new ATOM 0 HA SER A 39 -1.328 4.921 -7.110 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.520 4.138 -4.807 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.831 5.408 -5.974 1.00 0.00 H new ATOM 0 HG SER A 39 -0.143 6.264 -4.057 1.00 0.00 H new ATOM 520 N ARG A 40 1.198 3.015 -7.057 1.00 0.00 N ATOM 521 CA ARG A 40 1.996 2.066 -7.883 1.00 0.00 C ATOM 522 C ARG A 40 2.928 1.255 -6.980 1.00 0.00 C ATOM 523 O ARG A 40 3.140 1.586 -5.831 1.00 0.00 O ATOM 524 CB ARG A 40 2.832 2.851 -8.897 1.00 0.00 C ATOM 525 CG ARG A 40 2.174 2.770 -10.276 1.00 0.00 C ATOM 526 CD ARG A 40 2.809 3.807 -11.205 1.00 0.00 C ATOM 527 NE ARG A 40 2.172 5.134 -10.977 1.00 0.00 N ATOM 528 CZ ARG A 40 0.992 5.387 -11.476 1.00 0.00 C ATOM 529 NH1 ARG A 40 0.845 5.531 -12.764 1.00 0.00 N ATOM 530 NH2 ARG A 40 -0.041 5.494 -10.686 1.00 0.00 N ATOM 0 H ARG A 40 1.712 3.486 -6.312 1.00 0.00 H new ATOM 0 HA ARG A 40 1.321 1.391 -8.408 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.918 3.892 -8.585 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.843 2.446 -8.941 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.297 1.770 -10.691 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.102 2.950 -10.191 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.881 3.870 -11.019 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.683 3.505 -12.245 1.00 0.00 H new ATOM 0 HE ARG A 40 2.658 5.845 -10.431 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.652 5.446 -13.382 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.077 5.729 -13.153 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.073 5.380 -9.679 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.963 5.692 -11.076 1.00 0.00 H new ATOM 544 N ALA A 41 3.488 0.195 -7.496 1.00 0.00 N ATOM 545 CA ALA A 41 4.409 -0.639 -6.676 1.00 0.00 C ATOM 546 C ALA A 41 5.760 0.064 -6.560 1.00 0.00 C ATOM 547 O ALA A 41 6.159 0.814 -7.430 1.00 0.00 O ATOM 548 CB ALA A 41 4.600 -2.003 -7.344 1.00 0.00 C ATOM 0 H ALA A 41 3.346 -0.129 -8.453 1.00 0.00 H new ATOM 0 HA ALA A 41 3.983 -0.780 -5.683 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.275 -2.612 -6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.636 -2.505 -7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.025 -1.865 -8.338 1.00 0.00 H new ATOM 554 N GLY A 42 6.467 -0.167 -5.491 1.00 0.00 N ATOM 555 CA GLY A 42 7.788 0.492 -5.317 1.00 0.00 C ATOM 556 C GLY A 42 7.577 1.978 -5.025 1.00 0.00 C ATOM 557 O GLY A 42 8.395 2.809 -5.364 1.00 0.00 O ATOM 0 H GLY A 42 6.186 -0.785 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.336 0.023 -4.500 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.390 0.368 -6.217 1.00 0.00 H new ATOM 561 N LYS A 43 6.485 2.321 -4.395 1.00 0.00 N ATOM 562 CA LYS A 43 6.231 3.759 -4.082 1.00 0.00 C ATOM 563 C LYS A 43 6.835 4.086 -2.714 1.00 0.00 C ATOM 564 O LYS A 43 6.483 3.497 -1.714 1.00 0.00 O ATOM 565 CB LYS A 43 4.715 4.028 -4.073 1.00 0.00 C ATOM 566 CG LYS A 43 4.386 5.199 -3.137 1.00 0.00 C ATOM 567 CD LYS A 43 5.159 6.443 -3.582 1.00 0.00 C ATOM 568 CE LYS A 43 4.173 7.550 -3.960 1.00 0.00 C ATOM 569 NZ LYS A 43 4.786 8.878 -3.673 1.00 0.00 N ATOM 0 H LYS A 43 5.761 1.673 -4.085 1.00 0.00 H new ATOM 0 HA LYS A 43 6.693 4.391 -4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.373 4.254 -5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.182 3.134 -3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.315 5.399 -3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.649 4.943 -2.111 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.814 6.783 -2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.796 6.203 -4.433 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.915 7.477 -5.016 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.247 7.435 -3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.117 9.632 -3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.011 8.945 -2.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.658 8.985 -4.229 1.00 0.00 H new ATOM 583 N ILE A 44 7.741 5.022 -2.666 1.00 0.00 N ATOM 584 CA ILE A 44 8.373 5.380 -1.367 1.00 0.00 C ATOM 585 C ILE A 44 7.319 5.924 -0.402 1.00 0.00 C ATOM 586 O ILE A 44 7.131 7.117 -0.271 1.00 0.00 O ATOM 587 CB ILE A 44 9.444 6.442 -1.604 1.00 0.00 C ATOM 588 CG1 ILE A 44 9.958 6.957 -0.258 1.00 0.00 C ATOM 589 CG2 ILE A 44 8.845 7.601 -2.399 1.00 0.00 C ATOM 590 CD1 ILE A 44 10.611 5.808 0.511 1.00 0.00 C ATOM 0 H ILE A 44 8.071 5.555 -3.471 1.00 0.00 H new ATOM 0 HA ILE A 44 8.826 4.490 -0.931 1.00 0.00 H new ATOM 0 HB ILE A 44 10.270 6.006 -2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.678 7.760 -0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.135 7.376 0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.609 8.359 -2.568 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.479 7.234 -3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.018 8.038 -1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.978 6.174 1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.877 5.020 0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.444 5.410 -0.068 1.00 0.00 H new ATOM 602 N CYS A 45 6.642 5.047 0.281 1.00 0.00 N ATOM 603 CA CYS A 45 5.603 5.484 1.259 1.00 0.00 C ATOM 604 C CYS A 45 6.282 5.891 2.562 1.00 0.00 C ATOM 605 O CYS A 45 5.873 6.822 3.226 1.00 0.00 O ATOM 606 CB CYS A 45 4.654 4.326 1.545 1.00 0.00 C ATOM 607 SG CYS A 45 5.612 2.833 1.915 1.00 0.00 S ATOM 0 H CYS A 45 6.763 4.037 0.205 1.00 0.00 H new ATOM 0 HA CYS A 45 5.047 6.325 0.845 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.006 4.573 2.386 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.007 4.152 0.685 1.00 0.00 H new ATOM 612 N ARG A 46 7.310 5.186 2.935 1.00 0.00 N ATOM 613 CA ARG A 46 8.015 5.514 4.207 1.00 0.00 C ATOM 614 C ARG A 46 9.511 5.703 3.944 1.00 0.00 C ATOM 615 O ARG A 46 10.124 4.956 3.208 1.00 0.00 O ATOM 616 CB ARG A 46 7.816 4.372 5.203 1.00 0.00 C ATOM 617 CG ARG A 46 7.060 4.884 6.430 1.00 0.00 C ATOM 618 CD ARG A 46 7.676 4.284 7.695 1.00 0.00 C ATOM 619 NE ARG A 46 6.903 3.075 8.098 1.00 0.00 N ATOM 620 CZ ARG A 46 6.786 2.764 9.360 1.00 0.00 C ATOM 621 NH1 ARG A 46 7.577 3.310 10.244 1.00 0.00 N ATOM 622 NH2 ARG A 46 5.878 1.906 9.738 1.00 0.00 N ATOM 0 H ARG A 46 7.694 4.397 2.416 1.00 0.00 H new ATOM 0 HA ARG A 46 7.605 6.438 4.616 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.260 3.560 4.734 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.782 3.965 5.503 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.106 5.972 6.471 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.007 4.612 6.361 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.718 4.019 7.515 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.668 5.019 8.500 1.00 0.00 H new ATOM 0 HE ARG A 46 6.465 2.490 7.387 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.287 3.980 9.948 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.485 3.066 11.230 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.261 1.479 9.047 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.786 1.662 10.724 1.00 0.00 H new ATOM 636 N ILE A 47 10.103 6.694 4.552 1.00 0.00 N ATOM 637 CA ILE A 47 11.561 6.935 4.355 1.00 0.00 C ATOM 638 C ILE A 47 12.274 6.816 5.698 1.00 0.00 C ATOM 639 O ILE A 47 11.826 7.341 6.698 1.00 0.00 O ATOM 640 CB ILE A 47 11.781 8.343 3.814 1.00 0.00 C ATOM 641 CG1 ILE A 47 10.943 9.321 4.636 1.00 0.00 C ATOM 642 CG2 ILE A 47 11.366 8.405 2.346 1.00 0.00 C ATOM 643 CD1 ILE A 47 11.307 10.757 4.257 1.00 0.00 C ATOM 0 H ILE A 47 9.638 7.350 5.179 1.00 0.00 H new ATOM 0 HA ILE A 47 11.953 6.202 3.650 1.00 0.00 H new ATOM 0 HB ILE A 47 12.835 8.609 3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.882 9.145 4.457 1.00 0.00 H new ATOM 0 HG13 ILE A 47 11.118 9.160 5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 47 11.526 9.414 1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.964 7.700 1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 47 10.311 8.145 2.255 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.707 11.452 4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 47 12.364 10.930 4.458 1.00 0.00 H new ATOM 0 HD13 ILE A 47 11.109 10.915 3.197 1.00 0.00 H new ATOM 655 N ALA A 48 13.385 6.142 5.731 1.00 0.00 N ATOM 656 CA ALA A 48 14.126 6.004 7.010 1.00 0.00 C ATOM 657 C ALA A 48 15.563 6.486 6.810 1.00 0.00 C ATOM 658 O ALA A 48 16.509 5.825 7.188 1.00 0.00 O ATOM 659 CB ALA A 48 14.126 4.541 7.444 1.00 0.00 C ATOM 0 H ALA A 48 13.812 5.681 4.928 1.00 0.00 H new ATOM 0 HA ALA A 48 13.645 6.604 7.782 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.670 4.440 8.383 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.099 4.202 7.581 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.609 3.934 6.678 1.00 0.00 H new ATOM 665 N ARG A 49 15.729 7.635 6.211 1.00 0.00 N ATOM 666 CA ARG A 49 17.102 8.164 5.979 1.00 0.00 C ATOM 667 C ARG A 49 17.951 7.943 7.234 1.00 0.00 C ATOM 668 O ARG A 49 17.466 8.033 8.345 1.00 0.00 O ATOM 669 CB ARG A 49 17.029 9.662 5.671 1.00 0.00 C ATOM 670 CG ARG A 49 16.115 9.894 4.467 1.00 0.00 C ATOM 671 CD ARG A 49 15.009 10.879 4.848 1.00 0.00 C ATOM 672 NE ARG A 49 15.532 12.273 4.760 1.00 0.00 N ATOM 673 CZ ARG A 49 16.282 12.628 3.753 1.00 0.00 C ATOM 674 NH1 ARG A 49 17.564 12.381 3.774 1.00 0.00 N ATOM 675 NH2 ARG A 49 15.752 13.232 2.724 1.00 0.00 N ATOM 0 H ARG A 49 14.972 8.229 5.873 1.00 0.00 H new ATOM 0 HA ARG A 49 17.554 7.642 5.136 1.00 0.00 H new ATOM 0 HB2 ARG A 49 16.650 10.204 6.538 1.00 0.00 H new ATOM 0 HB3 ARG A 49 18.026 10.050 5.463 1.00 0.00 H new ATOM 0 HG2 ARG A 49 16.692 10.285 3.629 1.00 0.00 H new ATOM 0 HG3 ARG A 49 15.679 8.950 4.141 1.00 0.00 H new ATOM 0 HD2 ARG A 49 14.154 10.757 4.183 1.00 0.00 H new ATOM 0 HD3 ARG A 49 14.658 10.674 5.859 1.00 0.00 H new ATOM 0 HE ARG A 49 15.303 12.950 5.488 1.00 0.00 H new ATOM 0 HH11 ARG A 49 17.980 11.910 4.578 1.00 0.00 H new ATOM 0 HH12 ARG A 49 18.150 12.659 2.987 1.00 0.00 H new ATOM 0 HH21 ARG A 49 14.751 13.427 2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 49 16.339 13.509 1.937 1.00 0.00 H new ATOM 689 N GLY A 50 19.213 7.653 7.071 1.00 0.00 N ATOM 690 CA GLY A 50 20.083 7.427 8.260 1.00 0.00 C ATOM 691 C GLY A 50 20.844 6.109 8.098 1.00 0.00 C ATOM 692 O GLY A 50 21.540 5.898 7.125 1.00 0.00 O ATOM 0 H GLY A 50 19.678 7.563 6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 50 20.786 8.253 8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.478 7.400 9.166 1.00 0.00 H new ATOM 696 N ASP A 51 20.716 5.220 9.046 1.00 0.00 N ATOM 697 CA ASP A 51 21.432 3.917 8.948 1.00 0.00 C ATOM 698 C ASP A 51 20.459 2.836 8.473 1.00 0.00 C ATOM 699 O ASP A 51 20.655 1.661 8.712 1.00 0.00 O ATOM 700 CB ASP A 51 21.987 3.537 10.322 1.00 0.00 C ATOM 701 CG ASP A 51 23.445 3.094 10.180 1.00 0.00 C ATOM 702 OD1 ASP A 51 23.664 1.922 9.923 1.00 0.00 O ATOM 703 OD2 ASP A 51 24.315 3.935 10.329 1.00 0.00 O ATOM 0 H ASP A 51 20.147 5.340 9.884 1.00 0.00 H new ATOM 0 HA ASP A 51 22.253 4.005 8.236 1.00 0.00 H new ATOM 0 HB2 ASP A 51 21.919 4.387 11.001 1.00 0.00 H new ATOM 0 HB3 ASP A 51 21.392 2.733 10.756 1.00 0.00 H new ATOM 708 N MET A 52 19.410 3.225 7.802 1.00 0.00 N ATOM 709 CA MET A 52 18.424 2.222 7.312 1.00 0.00 C ATOM 710 C MET A 52 17.903 2.653 5.938 1.00 0.00 C ATOM 711 O MET A 52 17.993 3.810 5.578 1.00 0.00 O ATOM 712 CB MET A 52 17.255 2.130 8.295 1.00 0.00 C ATOM 713 CG MET A 52 17.752 1.565 9.627 1.00 0.00 C ATOM 714 SD MET A 52 16.442 0.577 10.390 1.00 0.00 S ATOM 715 CE MET A 52 16.560 -0.849 9.281 1.00 0.00 C ATOM 0 H MET A 52 19.193 4.195 7.572 1.00 0.00 H new ATOM 0 HA MET A 52 18.906 1.248 7.231 1.00 0.00 H new ATOM 0 HB2 MET A 52 16.816 3.116 8.447 1.00 0.00 H new ATOM 0 HB3 MET A 52 16.472 1.491 7.886 1.00 0.00 H new ATOM 0 HG2 MET A 52 18.638 0.951 9.466 1.00 0.00 H new ATOM 0 HG3 MET A 52 18.044 2.377 10.293 1.00 0.00 H new ATOM 0 HE1 MET A 52 15.761 -0.801 8.541 1.00 0.00 H new ATOM 0 HE2 MET A 52 17.525 -0.837 8.775 1.00 0.00 H new ATOM 0 HE3 MET A 52 16.464 -1.768 9.859 1.00 0.00 H new ATOM 725 N PRO A 53 17.374 1.704 5.209 1.00 0.00 N ATOM 726 CA PRO A 53 16.827 1.949 3.864 1.00 0.00 C ATOM 727 C PRO A 53 15.446 2.605 3.960 1.00 0.00 C ATOM 728 O PRO A 53 15.030 3.048 5.013 1.00 0.00 O ATOM 729 CB PRO A 53 16.729 0.549 3.255 1.00 0.00 C ATOM 730 CG PRO A 53 16.679 -0.440 4.444 1.00 0.00 C ATOM 731 CD PRO A 53 17.270 0.301 5.658 1.00 0.00 C ATOM 0 HA PRO A 53 17.441 2.624 3.267 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.837 0.456 2.635 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.586 0.343 2.614 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.655 -0.755 4.643 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.252 -1.341 4.223 1.00 0.00 H new ATOM 0 HD2 PRO A 53 16.626 0.209 6.533 1.00 0.00 H new ATOM 0 HD3 PRO A 53 18.244 -0.102 5.935 1.00 0.00 H new ATOM 739 N ASP A 54 14.734 2.670 2.870 1.00 0.00 N ATOM 740 CA ASP A 54 13.383 3.297 2.898 1.00 0.00 C ATOM 741 C ASP A 54 12.313 2.221 2.695 1.00 0.00 C ATOM 742 O ASP A 54 12.600 1.040 2.691 1.00 0.00 O ATOM 743 CB ASP A 54 13.282 4.333 1.778 1.00 0.00 C ATOM 744 CG ASP A 54 14.286 5.460 2.031 1.00 0.00 C ATOM 745 OD1 ASP A 54 15.327 5.182 2.603 1.00 0.00 O ATOM 746 OD2 ASP A 54 13.997 6.581 1.648 1.00 0.00 O ATOM 0 H ASP A 54 15.029 2.316 1.960 1.00 0.00 H new ATOM 0 HA ASP A 54 13.228 3.783 3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 54 13.482 3.863 0.815 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.271 4.737 1.732 1.00 0.00 H new ATOM 751 N ASP A 55 11.082 2.620 2.525 1.00 0.00 N ATOM 752 CA ASP A 55 9.993 1.621 2.321 1.00 0.00 C ATOM 753 C ASP A 55 9.269 1.927 1.009 1.00 0.00 C ATOM 754 O ASP A 55 9.073 3.072 0.651 1.00 0.00 O ATOM 755 CB ASP A 55 9.002 1.701 3.484 1.00 0.00 C ATOM 756 CG ASP A 55 9.736 1.440 4.800 1.00 0.00 C ATOM 757 OD1 ASP A 55 10.862 0.977 4.746 1.00 0.00 O ATOM 758 OD2 ASP A 55 9.158 1.708 5.841 1.00 0.00 O ATOM 0 H ASP A 55 10.783 3.595 2.518 1.00 0.00 H new ATOM 0 HA ASP A 55 10.418 0.618 2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.531 2.684 3.507 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.206 0.969 3.348 1.00 0.00 H new ATOM 763 N ARG A 56 8.872 0.917 0.284 1.00 0.00 N ATOM 764 CA ARG A 56 8.168 1.167 -1.004 1.00 0.00 C ATOM 765 C ARG A 56 6.878 0.344 -1.069 1.00 0.00 C ATOM 766 O ARG A 56 6.876 -0.846 -0.826 1.00 0.00 O ATOM 767 CB ARG A 56 9.083 0.774 -2.166 1.00 0.00 C ATOM 768 CG ARG A 56 10.488 1.324 -1.915 1.00 0.00 C ATOM 769 CD ARG A 56 11.413 0.894 -3.054 1.00 0.00 C ATOM 770 NE ARG A 56 12.442 -0.046 -2.530 1.00 0.00 N ATOM 771 CZ ARG A 56 13.708 0.259 -2.610 1.00 0.00 C ATOM 772 NH1 ARG A 56 14.327 0.184 -3.756 1.00 0.00 N ATOM 773 NH2 ARG A 56 14.355 0.643 -1.543 1.00 0.00 N ATOM 0 H ARG A 56 9.004 -0.065 0.527 1.00 0.00 H new ATOM 0 HA ARG A 56 7.917 2.225 -1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.118 -0.311 -2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 56 8.689 1.167 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.458 2.411 -1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.870 0.956 -0.963 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.836 0.414 -3.844 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.894 1.767 -3.496 1.00 0.00 H new ATOM 0 HE ARG A 56 12.157 -0.930 -2.108 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.821 -0.113 -4.590 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.317 0.423 -3.818 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.871 0.704 -0.647 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.345 0.882 -1.605 1.00 0.00 H new ATOM 787 N CYS A 57 5.778 0.970 -1.402 1.00 0.00 N ATOM 788 CA CYS A 57 4.488 0.215 -1.487 1.00 0.00 C ATOM 789 C CYS A 57 4.583 -0.839 -2.585 1.00 0.00 C ATOM 790 O CYS A 57 5.502 -0.838 -3.380 1.00 0.00 O ATOM 791 CB CYS A 57 3.342 1.166 -1.832 1.00 0.00 C ATOM 792 SG CYS A 57 2.957 2.205 -0.406 1.00 0.00 S ATOM 0 H CYS A 57 5.715 1.965 -1.618 1.00 0.00 H new ATOM 0 HA CYS A 57 4.299 -0.257 -0.523 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.618 1.789 -2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.461 0.596 -2.127 1.00 0.00 H new ATOM 797 N THR A 58 3.630 -1.732 -2.642 1.00 0.00 N ATOM 798 CA THR A 58 3.653 -2.788 -3.693 1.00 0.00 C ATOM 799 C THR A 58 2.587 -2.487 -4.751 1.00 0.00 C ATOM 800 O THR A 58 2.228 -3.338 -5.540 1.00 0.00 O ATOM 801 CB THR A 58 3.371 -4.150 -3.056 1.00 0.00 C ATOM 802 OG1 THR A 58 1.970 -4.308 -2.879 1.00 0.00 O ATOM 803 CG2 THR A 58 4.072 -4.237 -1.699 1.00 0.00 C ATOM 0 H THR A 58 2.835 -1.774 -2.004 1.00 0.00 H new ATOM 0 HA THR A 58 4.635 -2.804 -4.166 1.00 0.00 H new ATOM 0 HB THR A 58 3.746 -4.940 -3.707 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.788 -5.181 -2.473 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.870 -5.208 -1.247 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.147 -4.117 -1.836 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.700 -3.448 -1.046 1.00 0.00 H new ATOM 811 N GLY A 59 2.085 -1.284 -4.781 1.00 0.00 N ATOM 812 CA GLY A 59 1.050 -0.934 -5.795 1.00 0.00 C ATOM 813 C GLY A 59 -0.305 -1.486 -5.351 1.00 0.00 C ATOM 814 O GLY A 59 -1.271 -0.759 -5.228 1.00 0.00 O ATOM 0 H GLY A 59 2.346 -0.528 -4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.993 0.148 -5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.323 -1.347 -6.766 1.00 0.00 H new ATOM 818 N GLN A 60 -0.385 -2.765 -5.109 1.00 0.00 N ATOM 819 CA GLN A 60 -1.680 -3.358 -4.672 1.00 0.00 C ATOM 820 C GLN A 60 -1.972 -2.945 -3.228 1.00 0.00 C ATOM 821 O GLN A 60 -2.998 -3.284 -2.673 1.00 0.00 O ATOM 822 CB GLN A 60 -1.594 -4.884 -4.756 1.00 0.00 C ATOM 823 CG GLN A 60 -1.124 -5.293 -6.153 1.00 0.00 C ATOM 824 CD GLN A 60 -1.883 -6.543 -6.602 1.00 0.00 C ATOM 825 OE1 GLN A 60 -1.283 -7.525 -6.988 1.00 0.00 O ATOM 826 NE2 GLN A 60 -3.187 -6.548 -6.565 1.00 0.00 N ATOM 0 H GLN A 60 0.389 -3.424 -5.195 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.480 -3.000 -5.320 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.902 -5.262 -4.003 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.568 -5.326 -4.545 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.293 -4.479 -6.858 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.052 -5.489 -6.144 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.691 -5.723 -6.241 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.702 -7.377 -6.860 1.00 0.00 H new ATOM 835 N SER A 61 -1.080 -2.216 -2.615 1.00 0.00 N ATOM 836 CA SER A 61 -1.315 -1.787 -1.206 1.00 0.00 C ATOM 837 C SER A 61 -1.600 -0.284 -1.169 1.00 0.00 C ATOM 838 O SER A 61 -0.878 0.508 -1.740 1.00 0.00 O ATOM 839 CB SER A 61 -0.073 -2.090 -0.368 1.00 0.00 C ATOM 840 OG SER A 61 -0.426 -2.099 1.008 1.00 0.00 O ATOM 0 H SER A 61 -0.202 -1.900 -3.026 1.00 0.00 H new ATOM 0 HA SER A 61 -2.170 -2.328 -0.800 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.346 -3.055 -0.654 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.696 -1.340 -0.553 1.00 0.00 H new ATOM 0 HG SER A 61 -0.153 -1.254 1.421 1.00 0.00 H new ATOM 846 N ALA A 62 -2.646 0.116 -0.498 1.00 0.00 N ATOM 847 CA ALA A 62 -2.972 1.567 -0.422 1.00 0.00 C ATOM 848 C ALA A 62 -2.246 2.185 0.772 1.00 0.00 C ATOM 849 O ALA A 62 -1.897 3.349 0.764 1.00 0.00 O ATOM 850 CB ALA A 62 -4.479 1.749 -0.247 1.00 0.00 C ATOM 0 H ALA A 62 -3.288 -0.500 0.000 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.654 2.058 -1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.713 2.812 -0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.000 1.306 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.800 1.259 0.672 1.00 0.00 H new ATOM 856 N ASP A 63 -2.013 1.416 1.799 1.00 0.00 N ATOM 857 CA ASP A 63 -1.307 1.961 2.990 1.00 0.00 C ATOM 858 C ASP A 63 0.160 1.537 2.942 1.00 0.00 C ATOM 859 O ASP A 63 0.605 0.921 1.995 1.00 0.00 O ATOM 860 CB ASP A 63 -1.955 1.420 4.265 1.00 0.00 C ATOM 861 CG ASP A 63 -3.455 1.719 4.241 1.00 0.00 C ATOM 862 OD1 ASP A 63 -4.160 1.054 3.500 1.00 0.00 O ATOM 863 OD2 ASP A 63 -3.874 2.609 4.963 1.00 0.00 O ATOM 0 H ASP A 63 -2.281 0.434 1.864 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.375 3.049 2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.789 0.346 4.343 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.496 1.878 5.141 1.00 0.00 H new ATOM 868 N CYS A 64 0.919 1.866 3.951 1.00 0.00 N ATOM 869 CA CYS A 64 2.356 1.480 3.945 1.00 0.00 C ATOM 870 C CYS A 64 2.728 0.816 5.267 1.00 0.00 C ATOM 871 O CYS A 64 2.505 1.368 6.327 1.00 0.00 O ATOM 872 CB CYS A 64 3.212 2.727 3.725 1.00 0.00 C ATOM 873 SG CYS A 64 4.959 2.267 3.738 1.00 0.00 S ATOM 0 H CYS A 64 0.608 2.382 4.774 1.00 0.00 H new ATOM 0 HA CYS A 64 2.536 0.769 3.138 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.955 3.195 2.775 1.00 0.00 H new ATOM 0 HB3 CYS A 64 3.012 3.461 4.506 1.00 0.00 H new ATOM 878 N PRO A 65 3.288 -0.363 5.158 1.00 0.00 N ATOM 879 CA PRO A 65 3.710 -1.152 6.320 1.00 0.00 C ATOM 880 C PRO A 65 5.051 -0.646 6.859 1.00 0.00 C ATOM 881 O PRO A 65 5.442 0.480 6.621 1.00 0.00 O ATOM 882 CB PRO A 65 3.848 -2.564 5.751 1.00 0.00 C ATOM 883 CG PRO A 65 4.049 -2.418 4.228 1.00 0.00 C ATOM 884 CD PRO A 65 3.549 -1.019 3.857 1.00 0.00 C ATOM 0 HA PRO A 65 3.012 -1.095 7.156 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.694 -3.081 6.204 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.959 -3.156 5.968 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.099 -2.538 3.962 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.493 -3.185 3.688 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.293 -0.472 3.279 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.646 -1.068 3.249 1.00 0.00 H new ATOM 892 N ARG A 66 5.759 -1.469 7.588 1.00 0.00 N ATOM 893 CA ARG A 66 7.072 -1.036 8.145 1.00 0.00 C ATOM 894 C ARG A 66 8.200 -1.448 7.195 1.00 0.00 C ATOM 895 O ARG A 66 9.010 -0.638 6.792 1.00 0.00 O ATOM 896 CB ARG A 66 7.291 -1.696 9.510 1.00 0.00 C ATOM 897 CG ARG A 66 6.254 -1.172 10.505 1.00 0.00 C ATOM 898 CD ARG A 66 5.732 -2.331 11.357 1.00 0.00 C ATOM 899 NE ARG A 66 6.279 -2.219 12.739 1.00 0.00 N ATOM 900 CZ ARG A 66 5.816 -2.986 13.688 1.00 0.00 C ATOM 901 NH1 ARG A 66 5.945 -4.281 13.601 1.00 0.00 N ATOM 902 NH2 ARG A 66 5.224 -2.456 14.724 1.00 0.00 N ATOM 0 H ARG A 66 5.483 -2.423 7.821 1.00 0.00 H new ATOM 0 HA ARG A 66 7.073 0.048 8.258 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.208 -2.779 9.419 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.297 -1.483 9.871 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.700 -0.410 11.144 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.430 -0.699 9.972 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.642 -2.315 11.383 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.026 -3.283 10.914 1.00 0.00 H new ATOM 0 HE ARG A 66 7.015 -1.543 12.943 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.408 -4.694 12.791 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.583 -4.881 14.343 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.124 -1.443 14.791 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.862 -3.055 15.466 1.00 0.00 H new