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 58 THR OG1 : rot -159:sc= -0.775! USER MOD Set 1.2: A 61 SER OG : rot 91:sc= -0.99! USER MOD Single : A 1 GLY N :NH3+ 169:sc=-0.00284 (180deg=-0.206) USER MOD Single : A 2 LYS NZ :NH3+ -149:sc= -0.0613 (180deg=-0.536) USER MOD Single : A 7 SER OG : rot -46:sc= 0.729 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.19! C(o=-1.2!,f=-11!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 20 LYS NZ :NH3+ -131:sc= 0 (180deg=-1.61!) USER MOD Single : A 26 GLN : amide:sc= -0.277 K(o=-0.28,f=-2.4!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.061) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 TYR OH : rot -13:sc= 0.0477! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.045 -8.240 5.154 1.00 0.00 N ATOM 2 CA GLY A 1 -13.440 -8.786 3.825 1.00 0.00 C ATOM 3 C GLY A 1 -14.852 -8.310 3.478 1.00 0.00 C ATOM 4 O GLY A 1 -15.594 -8.985 2.791 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.173 -8.706 5.475 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.881 -7.216 5.074 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.805 -8.416 5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.736 -8.457 3.061 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.406 -9.875 3.843 1.00 0.00 H new ATOM 8 N LYS A 2 -15.230 -7.152 3.947 1.00 0.00 N ATOM 9 CA LYS A 2 -16.594 -6.636 3.644 1.00 0.00 C ATOM 10 C LYS A 2 -16.594 -5.970 2.266 1.00 0.00 C ATOM 11 O LYS A 2 -15.662 -6.106 1.500 1.00 0.00 O ATOM 12 CB LYS A 2 -16.999 -5.612 4.706 1.00 0.00 C ATOM 13 CG LYS A 2 -16.689 -6.170 6.096 1.00 0.00 C ATOM 14 CD LYS A 2 -17.994 -6.555 6.794 1.00 0.00 C ATOM 15 CE LYS A 2 -17.800 -7.869 7.554 1.00 0.00 C ATOM 16 NZ LYS A 2 -17.615 -8.984 6.583 1.00 0.00 N ATOM 0 H LYS A 2 -14.653 -6.542 4.526 1.00 0.00 H new ATOM 0 HA LYS A 2 -17.304 -7.463 3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -16.461 -4.677 4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -18.062 -5.386 4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.038 -7.040 6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.154 -5.427 6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -18.297 -5.766 7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -18.793 -6.662 6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.933 -7.797 8.210 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -18.664 -8.065 8.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.995 -9.863 6.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.119 -8.763 5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.602 -9.105 6.382 1.00 0.00 H new ATOM 30 N GLU A 3 -17.636 -5.252 1.946 1.00 0.00 N ATOM 31 CA GLU A 3 -17.700 -4.578 0.618 1.00 0.00 C ATOM 32 C GLU A 3 -17.322 -3.105 0.773 1.00 0.00 C ATOM 33 O GLU A 3 -17.948 -2.237 0.210 1.00 0.00 O ATOM 34 CB GLU A 3 -19.123 -4.685 0.061 1.00 0.00 C ATOM 35 CG GLU A 3 -19.284 -6.013 -0.681 1.00 0.00 C ATOM 36 CD GLU A 3 -19.110 -7.172 0.303 1.00 0.00 C ATOM 37 OE1 GLU A 3 -19.586 -7.051 1.420 1.00 0.00 O ATOM 38 OE2 GLU A 3 -18.504 -8.160 -0.078 1.00 0.00 O ATOM 0 H GLU A 3 -18.446 -5.103 2.547 1.00 0.00 H new ATOM 0 HA GLU A 3 -17.003 -5.060 -0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -19.848 -4.620 0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -19.324 -3.853 -0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -20.267 -6.064 -1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -18.547 -6.087 -1.480 1.00 0.00 H new ATOM 45 N CYS A 4 -16.298 -2.820 1.529 1.00 0.00 N ATOM 46 CA CYS A 4 -15.875 -1.401 1.714 1.00 0.00 C ATOM 47 C CYS A 4 -14.362 -1.303 1.497 1.00 0.00 C ATOM 48 O CYS A 4 -13.581 -1.455 2.414 1.00 0.00 O ATOM 49 CB CYS A 4 -16.226 -0.943 3.133 1.00 0.00 C ATOM 50 SG CYS A 4 -18.021 -0.714 3.293 1.00 0.00 S ATOM 0 H CYS A 4 -15.734 -3.509 2.028 1.00 0.00 H new ATOM 0 HA CYS A 4 -16.391 -0.763 0.997 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -15.880 -1.681 3.857 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -15.711 -0.009 3.359 1.00 0.00 H new ATOM 55 N ASP A 5 -13.949 -1.053 0.285 1.00 0.00 N ATOM 56 CA ASP A 5 -12.491 -0.947 -0.008 1.00 0.00 C ATOM 57 C ASP A 5 -11.933 0.334 0.618 1.00 0.00 C ATOM 58 O ASP A 5 -10.746 0.456 0.845 1.00 0.00 O ATOM 59 CB ASP A 5 -12.280 -0.905 -1.524 1.00 0.00 C ATOM 60 CG ASP A 5 -10.859 -1.364 -1.856 1.00 0.00 C ATOM 61 OD1 ASP A 5 -9.999 -1.231 -1.000 1.00 0.00 O ATOM 62 OD2 ASP A 5 -10.655 -1.843 -2.960 1.00 0.00 O ATOM 0 H ASP A 5 -14.562 -0.917 -0.519 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.973 -1.810 0.411 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.006 -1.548 -2.021 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.443 0.106 -1.896 1.00 0.00 H new ATOM 67 N CYS A 6 -12.776 1.288 0.895 1.00 0.00 N ATOM 68 CA CYS A 6 -12.287 2.558 1.503 1.00 0.00 C ATOM 69 C CYS A 6 -13.030 2.821 2.812 1.00 0.00 C ATOM 70 O CYS A 6 -14.198 2.514 2.950 1.00 0.00 O ATOM 71 CB CYS A 6 -12.534 3.716 0.535 1.00 0.00 C ATOM 72 SG CYS A 6 -14.310 3.884 0.237 1.00 0.00 S ATOM 0 H CYS A 6 -13.781 1.245 0.727 1.00 0.00 H new ATOM 0 HA CYS A 6 -11.219 2.473 1.705 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -12.135 4.642 0.949 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -12.012 3.536 -0.405 1.00 0.00 H new ATOM 77 N SER A 7 -12.361 3.391 3.776 1.00 0.00 N ATOM 78 CA SER A 7 -13.026 3.679 5.077 1.00 0.00 C ATOM 79 C SER A 7 -13.541 5.120 5.078 1.00 0.00 C ATOM 80 O SER A 7 -13.997 5.623 6.086 1.00 0.00 O ATOM 81 CB SER A 7 -12.018 3.497 6.213 1.00 0.00 C ATOM 82 OG SER A 7 -12.678 3.674 7.460 1.00 0.00 O ATOM 0 H SER A 7 -11.382 3.670 3.718 1.00 0.00 H new ATOM 0 HA SER A 7 -13.862 2.995 5.219 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.571 2.504 6.163 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.206 4.217 6.113 1.00 0.00 H new ATOM 0 HG SER A 7 -13.241 4.475 7.421 1.00 0.00 H new ATOM 88 N SER A 8 -13.473 5.790 3.959 1.00 0.00 N ATOM 89 CA SER A 8 -13.960 7.198 3.904 1.00 0.00 C ATOM 90 C SER A 8 -15.068 7.315 2.846 1.00 0.00 C ATOM 91 O SER A 8 -14.868 6.942 1.707 1.00 0.00 O ATOM 92 CB SER A 8 -12.801 8.120 3.527 1.00 0.00 C ATOM 93 OG SER A 8 -11.677 7.818 4.342 1.00 0.00 O ATOM 0 H SER A 8 -13.102 5.424 3.082 1.00 0.00 H new ATOM 0 HA SER A 8 -14.355 7.485 4.879 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.547 7.992 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.092 9.162 3.660 1.00 0.00 H new ATOM 0 HG SER A 8 -10.931 8.406 4.102 1.00 0.00 H new ATOM 99 N PRO A 9 -16.203 7.831 3.252 1.00 0.00 N ATOM 100 CA PRO A 9 -17.357 8.009 2.351 1.00 0.00 C ATOM 101 C PRO A 9 -17.154 9.241 1.463 1.00 0.00 C ATOM 102 O PRO A 9 -17.755 9.367 0.415 1.00 0.00 O ATOM 103 CB PRO A 9 -18.532 8.215 3.309 1.00 0.00 C ATOM 104 CG PRO A 9 -17.926 8.709 4.643 1.00 0.00 C ATOM 105 CD PRO A 9 -16.445 8.286 4.636 1.00 0.00 C ATOM 0 HA PRO A 9 -17.508 7.168 1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -19.236 8.944 2.909 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -19.083 7.286 3.453 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -18.020 9.791 4.734 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.450 8.271 5.493 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.792 9.118 4.901 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.255 7.490 5.356 1.00 0.00 H new ATOM 113 N GLU A 10 -16.310 10.147 1.874 1.00 0.00 N ATOM 114 CA GLU A 10 -16.065 11.365 1.053 1.00 0.00 C ATOM 115 C GLU A 10 -15.071 11.032 -0.061 1.00 0.00 C ATOM 116 O GLU A 10 -14.806 11.835 -0.933 1.00 0.00 O ATOM 117 CB GLU A 10 -15.488 12.471 1.939 1.00 0.00 C ATOM 118 CG GLU A 10 -15.495 13.796 1.173 1.00 0.00 C ATOM 119 CD GLU A 10 -16.089 14.893 2.057 1.00 0.00 C ATOM 120 OE1 GLU A 10 -16.820 14.557 2.974 1.00 0.00 O ATOM 121 OE2 GLU A 10 -15.800 16.051 1.803 1.00 0.00 O ATOM 0 H GLU A 10 -15.779 10.096 2.744 1.00 0.00 H new ATOM 0 HA GLU A 10 -17.003 11.705 0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.076 12.564 2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.471 12.218 2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.480 14.062 0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.078 13.696 0.258 1.00 0.00 H new ATOM 128 N ASN A 11 -14.521 9.849 -0.038 1.00 0.00 N ATOM 129 CA ASN A 11 -13.546 9.456 -1.091 1.00 0.00 C ATOM 130 C ASN A 11 -14.305 9.138 -2.389 1.00 0.00 C ATOM 131 O ASN A 11 -15.131 8.249 -2.410 1.00 0.00 O ATOM 132 CB ASN A 11 -12.788 8.211 -0.626 1.00 0.00 C ATOM 133 CG ASN A 11 -11.505 8.051 -1.441 1.00 0.00 C ATOM 134 OD1 ASN A 11 -11.316 8.719 -2.439 1.00 0.00 O ATOM 135 ND2 ASN A 11 -10.607 7.186 -1.054 1.00 0.00 N ATOM 0 H ASN A 11 -14.706 9.136 0.668 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.843 10.269 -1.271 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.548 8.295 0.434 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.416 7.327 -0.742 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.746 7.070 -1.589 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.766 6.626 -0.217 1.00 0.00 H new ATOM 142 N PRO A 12 -14.005 9.873 -3.432 1.00 0.00 N ATOM 143 CA PRO A 12 -14.654 9.681 -4.742 1.00 0.00 C ATOM 144 C PRO A 12 -14.072 8.451 -5.445 1.00 0.00 C ATOM 145 O PRO A 12 -14.753 7.762 -6.178 1.00 0.00 O ATOM 146 CB PRO A 12 -14.314 10.967 -5.503 1.00 0.00 C ATOM 147 CG PRO A 12 -13.054 11.555 -4.825 1.00 0.00 C ATOM 148 CD PRO A 12 -12.996 10.952 -3.408 1.00 0.00 C ATOM 0 HA PRO A 12 -15.728 9.510 -4.673 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.126 10.757 -6.556 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.143 11.674 -5.462 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.157 11.304 -5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.109 12.643 -4.781 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.003 10.564 -3.181 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.228 11.698 -2.648 1.00 0.00 H new ATOM 156 N CYS A 13 -12.818 8.173 -5.221 1.00 0.00 N ATOM 157 CA CYS A 13 -12.184 6.993 -5.863 1.00 0.00 C ATOM 158 C CYS A 13 -13.021 5.741 -5.596 1.00 0.00 C ATOM 159 O CYS A 13 -13.132 4.865 -6.431 1.00 0.00 O ATOM 160 CB CYS A 13 -10.789 6.801 -5.270 1.00 0.00 C ATOM 161 SG CYS A 13 -9.546 7.299 -6.478 1.00 0.00 S ATOM 0 H CYS A 13 -12.203 8.718 -4.616 1.00 0.00 H new ATOM 0 HA CYS A 13 -12.118 7.155 -6.939 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -10.685 7.393 -4.360 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -10.642 5.758 -4.990 1.00 0.00 H new ATOM 166 N CYS A 14 -13.602 5.642 -4.433 1.00 0.00 N ATOM 167 CA CYS A 14 -14.419 4.438 -4.110 1.00 0.00 C ATOM 168 C CYS A 14 -15.898 4.814 -4.021 1.00 0.00 C ATOM 169 O CYS A 14 -16.257 5.867 -3.533 1.00 0.00 O ATOM 170 CB CYS A 14 -13.965 3.862 -2.767 1.00 0.00 C ATOM 171 SG CYS A 14 -14.424 5.004 -1.439 1.00 0.00 S ATOM 0 H CYS A 14 -13.547 6.341 -3.693 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.285 3.696 -4.897 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.427 2.889 -2.601 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.886 3.706 -2.771 1.00 0.00 H new ATOM 176 N ASP A 15 -16.756 3.946 -4.476 1.00 0.00 N ATOM 177 CA ASP A 15 -18.215 4.224 -4.411 1.00 0.00 C ATOM 178 C ASP A 15 -18.640 4.294 -2.947 1.00 0.00 C ATOM 179 O ASP A 15 -18.251 3.468 -2.147 1.00 0.00 O ATOM 180 CB ASP A 15 -18.974 3.087 -5.093 1.00 0.00 C ATOM 181 CG ASP A 15 -20.361 3.576 -5.516 1.00 0.00 C ATOM 182 OD1 ASP A 15 -20.427 4.564 -6.227 1.00 0.00 O ATOM 183 OD2 ASP A 15 -21.333 2.954 -5.119 1.00 0.00 O ATOM 0 H ASP A 15 -16.506 3.049 -4.893 1.00 0.00 H new ATOM 0 HA ASP A 15 -18.435 5.167 -4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.420 2.737 -5.964 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -19.068 2.240 -4.413 1.00 0.00 H new ATOM 188 N ALA A 16 -19.435 5.265 -2.590 1.00 0.00 N ATOM 189 CA ALA A 16 -19.883 5.378 -1.173 1.00 0.00 C ATOM 190 C ALA A 16 -20.907 4.281 -0.877 1.00 0.00 C ATOM 191 O ALA A 16 -20.846 3.618 0.140 1.00 0.00 O ATOM 192 CB ALA A 16 -20.524 6.749 -0.948 1.00 0.00 C ATOM 0 H ALA A 16 -19.794 5.985 -3.218 1.00 0.00 H new ATOM 0 HA ALA A 16 -19.026 5.266 -0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.852 6.832 0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.795 7.531 -1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -21.382 6.862 -1.610 1.00 0.00 H new ATOM 198 N ALA A 17 -21.849 4.082 -1.759 1.00 0.00 N ATOM 199 CA ALA A 17 -22.874 3.026 -1.527 1.00 0.00 C ATOM 200 C ALA A 17 -22.179 1.677 -1.329 1.00 0.00 C ATOM 201 O ALA A 17 -22.524 0.914 -0.448 1.00 0.00 O ATOM 202 CB ALA A 17 -23.806 2.945 -2.737 1.00 0.00 C ATOM 0 H ALA A 17 -21.952 4.605 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 17 -23.454 3.272 -0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -24.556 2.172 -2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -24.301 3.906 -2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -23.226 2.699 -3.627 1.00 0.00 H new ATOM 208 N THR A 18 -21.205 1.376 -2.142 1.00 0.00 N ATOM 209 CA THR A 18 -20.491 0.074 -2.001 1.00 0.00 C ATOM 210 C THR A 18 -19.110 0.306 -1.383 1.00 0.00 C ATOM 211 O THR A 18 -18.292 -0.585 -1.342 1.00 0.00 O ATOM 212 CB THR A 18 -20.327 -0.572 -3.379 1.00 0.00 C ATOM 213 OG1 THR A 18 -19.304 0.104 -4.097 1.00 0.00 O ATOM 214 CG2 THR A 18 -21.643 -0.479 -4.151 1.00 0.00 C ATOM 0 H THR A 18 -20.872 1.974 -2.898 1.00 0.00 H new ATOM 0 HA THR A 18 -21.071 -0.585 -1.355 1.00 0.00 H new ATOM 0 HB THR A 18 -20.056 -1.621 -3.259 1.00 0.00 H new ATOM 0 HG1 THR A 18 -19.196 -0.309 -4.979 1.00 0.00 H new ATOM 0 HG21 THR A 18 -21.523 -0.940 -5.132 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.426 -0.999 -3.599 1.00 0.00 H new ATOM 0 HG23 THR A 18 -21.920 0.568 -4.274 1.00 0.00 H new ATOM 222 N CYS A 19 -18.854 1.498 -0.905 1.00 0.00 N ATOM 223 CA CYS A 19 -17.524 1.816 -0.283 1.00 0.00 C ATOM 224 C CYS A 19 -16.405 1.056 -0.989 1.00 0.00 C ATOM 225 O CYS A 19 -15.423 0.695 -0.380 1.00 0.00 O ATOM 226 CB CYS A 19 -17.510 1.433 1.203 1.00 0.00 C ATOM 227 SG CYS A 19 -18.640 0.055 1.524 1.00 0.00 S ATOM 0 H CYS A 19 -19.515 2.275 -0.918 1.00 0.00 H new ATOM 0 HA CYS A 19 -17.364 2.889 -0.385 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.499 1.157 1.502 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.798 2.293 1.807 1.00 0.00 H new ATOM 232 N LYS A 20 -16.536 0.807 -2.260 1.00 0.00 N ATOM 233 CA LYS A 20 -15.458 0.061 -2.972 1.00 0.00 C ATOM 234 C LYS A 20 -15.010 0.848 -4.204 1.00 0.00 C ATOM 235 O LYS A 20 -15.599 1.844 -4.563 1.00 0.00 O ATOM 236 CB LYS A 20 -15.977 -1.312 -3.408 1.00 0.00 C ATOM 237 CG LYS A 20 -16.268 -2.174 -2.175 1.00 0.00 C ATOM 238 CD LYS A 20 -17.517 -3.019 -2.432 1.00 0.00 C ATOM 239 CE LYS A 20 -17.282 -3.919 -3.647 1.00 0.00 C ATOM 240 NZ LYS A 20 -16.647 -5.193 -3.206 1.00 0.00 N ATOM 0 H LYS A 20 -17.333 1.083 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.612 -0.069 -2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.883 -1.196 -4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.240 -1.805 -4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.416 -2.819 -1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.417 -1.540 -1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -17.746 -3.625 -1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.377 -2.373 -2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.228 -4.126 -4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.642 -3.413 -4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.822 -5.395 -3.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.342 -5.104 -2.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.334 -5.970 -3.288 1.00 0.00 H new ATOM 254 N LEU A 21 -13.968 0.409 -4.852 1.00 0.00 N ATOM 255 CA LEU A 21 -13.478 1.138 -6.055 1.00 0.00 C ATOM 256 C LEU A 21 -14.573 1.164 -7.125 1.00 0.00 C ATOM 257 O LEU A 21 -14.897 0.157 -7.725 1.00 0.00 O ATOM 258 CB LEU A 21 -12.239 0.431 -6.606 1.00 0.00 C ATOM 259 CG LEU A 21 -10.993 0.953 -5.889 1.00 0.00 C ATOM 260 CD1 LEU A 21 -10.274 -0.209 -5.203 1.00 0.00 C ATOM 261 CD2 LEU A 21 -10.054 1.601 -6.907 1.00 0.00 C ATOM 0 H LEU A 21 -13.434 -0.423 -4.601 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.222 2.161 -5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.329 -0.646 -6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.154 0.606 -7.679 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.287 1.691 -5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.386 0.163 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.942 -0.673 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.980 -0.947 -5.950 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.166 1.973 -6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.761 0.863 -7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.565 2.430 -7.397 1.00 0.00 H new ATOM 273 N ARG A 22 -15.146 2.312 -7.365 1.00 0.00 N ATOM 274 CA ARG A 22 -16.223 2.416 -8.390 1.00 0.00 C ATOM 275 C ARG A 22 -15.621 2.574 -9.796 1.00 0.00 C ATOM 276 O ARG A 22 -16.048 1.907 -10.718 1.00 0.00 O ATOM 277 CB ARG A 22 -17.108 3.627 -8.082 1.00 0.00 C ATOM 278 CG ARG A 22 -18.550 3.323 -8.494 1.00 0.00 C ATOM 279 CD ARG A 22 -19.010 4.342 -9.539 1.00 0.00 C ATOM 280 NE ARG A 22 -20.432 4.707 -9.285 1.00 0.00 N ATOM 281 CZ ARG A 22 -20.825 5.944 -9.426 1.00 0.00 C ATOM 282 NH1 ARG A 22 -20.350 6.672 -10.398 1.00 0.00 N ATOM 283 NH2 ARG A 22 -21.696 6.453 -8.597 1.00 0.00 N ATOM 0 H ARG A 22 -14.913 3.186 -6.893 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.817 1.503 -8.362 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -17.064 3.862 -7.018 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.743 4.503 -8.617 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.618 2.314 -8.901 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -19.204 3.360 -7.622 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -18.382 5.232 -9.496 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.904 3.925 -10.540 1.00 0.00 H new ATOM 0 HE ARG A 22 -21.099 3.990 -9.001 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -19.672 6.275 -11.048 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -20.657 7.638 -10.508 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -22.070 5.884 -7.838 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -22.002 7.420 -8.709 1.00 0.00 H new ATOM 297 N PRO A 23 -14.660 3.459 -9.931 1.00 0.00 N ATOM 298 CA PRO A 23 -14.010 3.723 -11.228 1.00 0.00 C ATOM 299 C PRO A 23 -12.998 2.622 -11.565 1.00 0.00 C ATOM 300 O PRO A 23 -12.945 1.593 -10.921 1.00 0.00 O ATOM 301 CB PRO A 23 -13.315 5.070 -11.016 1.00 0.00 C ATOM 302 CG PRO A 23 -13.130 5.231 -9.489 1.00 0.00 C ATOM 303 CD PRO A 23 -14.130 4.272 -8.817 1.00 0.00 C ATOM 0 HA PRO A 23 -14.713 3.741 -12.061 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.353 5.096 -11.528 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.915 5.884 -11.422 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.108 4.991 -9.196 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.316 6.261 -9.183 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -13.642 3.649 -8.067 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -14.925 4.818 -8.309 1.00 0.00 H new ATOM 311 N GLY A 24 -12.205 2.827 -12.583 1.00 0.00 N ATOM 312 CA GLY A 24 -11.208 1.792 -12.976 1.00 0.00 C ATOM 313 C GLY A 24 -9.913 1.978 -12.182 1.00 0.00 C ATOM 314 O GLY A 24 -8.862 1.518 -12.582 1.00 0.00 O ATOM 0 H GLY A 24 -12.206 3.668 -13.160 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.615 0.797 -12.795 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.002 1.862 -14.044 1.00 0.00 H new ATOM 318 N ALA A 25 -9.973 2.644 -11.061 1.00 0.00 N ATOM 319 CA ALA A 25 -8.736 2.843 -10.256 1.00 0.00 C ATOM 320 C ALA A 25 -8.337 1.516 -9.605 1.00 0.00 C ATOM 321 O ALA A 25 -9.131 0.600 -9.514 1.00 0.00 O ATOM 322 CB ALA A 25 -8.988 3.889 -9.169 1.00 0.00 C ATOM 0 H ALA A 25 -10.820 3.056 -10.670 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.933 3.189 -10.907 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.080 4.031 -8.583 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.272 4.834 -9.632 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.792 3.549 -8.516 1.00 0.00 H new ATOM 328 N GLN A 26 -7.115 1.396 -9.156 1.00 0.00 N ATOM 329 CA GLN A 26 -6.682 0.122 -8.518 1.00 0.00 C ATOM 330 C GLN A 26 -6.901 0.201 -7.005 1.00 0.00 C ATOM 331 O GLN A 26 -7.269 -0.768 -6.371 1.00 0.00 O ATOM 332 CB GLN A 26 -5.197 -0.113 -8.805 1.00 0.00 C ATOM 333 CG GLN A 26 -4.956 -1.600 -9.063 1.00 0.00 C ATOM 334 CD GLN A 26 -3.868 -1.764 -10.129 1.00 0.00 C ATOM 335 OE1 GLN A 26 -3.700 -0.911 -10.976 1.00 0.00 O ATOM 336 NE2 GLN A 26 -3.119 -2.832 -10.120 1.00 0.00 N ATOM 0 H GLN A 26 -6.402 2.124 -9.204 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.268 -0.702 -8.925 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.886 0.472 -9.671 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.595 0.223 -7.961 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.654 -2.096 -8.140 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.879 -2.077 -9.394 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.261 -3.548 -9.408 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.392 -2.951 -10.825 1.00 0.00 H new ATOM 345 N CYS A 27 -6.677 1.346 -6.421 1.00 0.00 N ATOM 346 CA CYS A 27 -6.870 1.483 -4.950 1.00 0.00 C ATOM 347 C CYS A 27 -7.500 2.847 -4.649 1.00 0.00 C ATOM 348 O CYS A 27 -7.101 3.859 -5.186 1.00 0.00 O ATOM 349 CB CYS A 27 -5.501 1.345 -4.251 1.00 0.00 C ATOM 350 SG CYS A 27 -5.443 2.301 -2.707 1.00 0.00 S ATOM 0 H CYS A 27 -6.369 2.193 -6.899 1.00 0.00 H new ATOM 0 HA CYS A 27 -7.536 0.704 -4.578 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.305 0.294 -4.037 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.713 1.687 -4.922 1.00 0.00 H new ATOM 355 N GLY A 28 -8.472 2.877 -3.779 1.00 0.00 N ATOM 356 CA GLY A 28 -9.117 4.170 -3.428 1.00 0.00 C ATOM 357 C GLY A 28 -8.355 4.793 -2.273 1.00 0.00 C ATOM 358 O GLY A 28 -8.300 5.998 -2.121 1.00 0.00 O ATOM 0 H GLY A 28 -8.847 2.060 -3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.115 4.840 -4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.159 4.010 -3.151 1.00 0.00 H new ATOM 362 N GLU A 29 -7.765 3.979 -1.453 1.00 0.00 N ATOM 363 CA GLU A 29 -7.004 4.517 -0.305 1.00 0.00 C ATOM 364 C GLU A 29 -5.829 3.589 0.010 1.00 0.00 C ATOM 365 O GLU A 29 -5.963 2.380 0.012 1.00 0.00 O ATOM 366 CB GLU A 29 -7.940 4.608 0.893 1.00 0.00 C ATOM 367 CG GLU A 29 -8.330 3.202 1.345 1.00 0.00 C ATOM 368 CD GLU A 29 -7.367 2.727 2.435 1.00 0.00 C ATOM 369 OE1 GLU A 29 -6.545 3.522 2.859 1.00 0.00 O ATOM 370 OE2 GLU A 29 -7.466 1.575 2.825 1.00 0.00 O ATOM 0 H GLU A 29 -7.778 2.962 -1.530 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.611 5.506 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.452 5.141 1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.832 5.177 0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.352 3.201 1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.303 2.516 0.498 1.00 0.00 H new ATOM 377 N GLY A 30 -4.675 4.140 0.274 1.00 0.00 N ATOM 378 CA GLY A 30 -3.495 3.284 0.586 1.00 0.00 C ATOM 379 C GLY A 30 -2.210 4.090 0.382 1.00 0.00 C ATOM 380 O GLY A 30 -2.166 5.021 -0.396 1.00 0.00 O ATOM 0 H GLY A 30 -4.499 5.145 0.287 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.553 2.927 1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.491 2.404 -0.057 1.00 0.00 H new ATOM 384 N LEU A 31 -1.163 3.740 1.078 1.00 0.00 N ATOM 385 CA LEU A 31 0.118 4.486 0.926 1.00 0.00 C ATOM 386 C LEU A 31 0.653 4.306 -0.497 1.00 0.00 C ATOM 387 O LEU A 31 1.268 5.192 -1.055 1.00 0.00 O ATOM 388 CB LEU A 31 1.145 3.947 1.926 1.00 0.00 C ATOM 389 CG LEU A 31 1.248 4.898 3.120 1.00 0.00 C ATOM 390 CD1 LEU A 31 1.891 6.211 2.673 1.00 0.00 C ATOM 391 CD2 LEU A 31 -0.151 5.178 3.670 1.00 0.00 C ATOM 0 H LEU A 31 -1.139 2.969 1.746 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.057 5.545 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.851 2.953 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.118 3.845 1.444 1.00 0.00 H new ATOM 0 HG LEU A 31 1.860 4.440 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.964 6.888 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.888 6.013 2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.280 6.669 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.079 5.856 4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.763 5.636 2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.610 4.243 3.989 1.00 0.00 H new ATOM 403 N CYS A 32 0.423 3.165 -1.090 1.00 0.00 N ATOM 404 CA CYS A 32 0.922 2.932 -2.476 1.00 0.00 C ATOM 405 C CYS A 32 -0.215 3.167 -3.468 1.00 0.00 C ATOM 406 O CYS A 32 -0.415 2.400 -4.389 1.00 0.00 O ATOM 407 CB CYS A 32 1.423 1.490 -2.622 1.00 0.00 C ATOM 408 SG CYS A 32 2.051 0.883 -1.037 1.00 0.00 S ATOM 0 H CYS A 32 -0.088 2.386 -0.675 1.00 0.00 H new ATOM 0 HA CYS A 32 1.743 3.620 -2.677 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.613 0.849 -2.970 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.210 1.445 -3.375 1.00 0.00 H new ATOM 413 N CYS A 33 -0.966 4.217 -3.289 1.00 0.00 N ATOM 414 CA CYS A 33 -2.091 4.490 -4.225 1.00 0.00 C ATOM 415 C CYS A 33 -1.914 5.880 -4.845 1.00 0.00 C ATOM 416 O CYS A 33 -2.387 6.870 -4.322 1.00 0.00 O ATOM 417 CB CYS A 33 -3.414 4.425 -3.459 1.00 0.00 C ATOM 418 SG CYS A 33 -3.508 2.863 -2.549 1.00 0.00 S ATOM 0 H CYS A 33 -0.850 4.896 -2.537 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.098 3.743 -5.019 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.489 5.265 -2.769 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.252 4.506 -4.151 1.00 0.00 H new ATOM 423 N GLU A 34 -1.241 5.956 -5.961 1.00 0.00 N ATOM 424 CA GLU A 34 -1.033 7.270 -6.630 1.00 0.00 C ATOM 425 C GLU A 34 -2.046 7.398 -7.765 1.00 0.00 C ATOM 426 O GLU A 34 -2.160 6.527 -8.603 1.00 0.00 O ATOM 427 CB GLU A 34 0.387 7.335 -7.199 1.00 0.00 C ATOM 428 CG GLU A 34 0.721 8.777 -7.587 1.00 0.00 C ATOM 429 CD GLU A 34 1.694 9.369 -6.564 1.00 0.00 C ATOM 430 OE1 GLU A 34 1.375 9.341 -5.387 1.00 0.00 O ATOM 431 OE2 GLU A 34 2.742 9.837 -6.976 1.00 0.00 O ATOM 0 H GLU A 34 -0.824 5.158 -6.440 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.166 8.082 -5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.102 6.972 -6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.470 6.685 -8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.163 8.804 -8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.190 9.374 -7.626 1.00 0.00 H new ATOM 438 N GLN A 35 -2.799 8.459 -7.792 1.00 0.00 N ATOM 439 CA GLN A 35 -3.814 8.605 -8.868 1.00 0.00 C ATOM 440 C GLN A 35 -4.792 7.437 -8.756 1.00 0.00 C ATOM 441 O GLN A 35 -5.394 7.015 -9.723 1.00 0.00 O ATOM 442 CB GLN A 35 -3.128 8.574 -10.236 1.00 0.00 C ATOM 443 CG GLN A 35 -2.837 10.004 -10.696 1.00 0.00 C ATOM 444 CD GLN A 35 -3.610 10.293 -11.985 1.00 0.00 C ATOM 445 OE1 GLN A 35 -4.722 10.783 -11.942 1.00 0.00 O ATOM 446 NE2 GLN A 35 -3.067 10.011 -13.136 1.00 0.00 N ATOM 0 H GLN A 35 -2.757 9.226 -7.121 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.341 9.553 -8.764 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.201 8.004 -10.176 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.765 8.070 -10.963 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.125 10.713 -9.920 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.768 10.133 -10.864 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.134 9.600 -13.173 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.575 10.201 -14.000 1.00 0.00 H new ATOM 455 N CYS A 36 -4.936 6.903 -7.573 1.00 0.00 N ATOM 456 CA CYS A 36 -5.853 5.749 -7.371 1.00 0.00 C ATOM 457 C CYS A 36 -5.265 4.516 -8.057 1.00 0.00 C ATOM 458 O CYS A 36 -5.932 3.519 -8.248 1.00 0.00 O ATOM 459 CB CYS A 36 -7.226 6.057 -7.966 1.00 0.00 C ATOM 460 SG CYS A 36 -8.497 5.605 -6.765 1.00 0.00 S ATOM 0 H CYS A 36 -4.453 7.221 -6.733 1.00 0.00 H new ATOM 0 HA CYS A 36 -5.965 5.562 -6.303 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.301 7.116 -8.214 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.369 5.502 -8.893 1.00 0.00 H new ATOM 465 N LYS A 37 -4.015 4.578 -8.426 1.00 0.00 N ATOM 466 CA LYS A 37 -3.375 3.413 -9.096 1.00 0.00 C ATOM 467 C LYS A 37 -2.367 2.773 -8.141 1.00 0.00 C ATOM 468 O LYS A 37 -2.021 3.337 -7.122 1.00 0.00 O ATOM 469 CB LYS A 37 -2.649 3.890 -10.356 1.00 0.00 C ATOM 470 CG LYS A 37 -3.337 3.307 -11.592 1.00 0.00 C ATOM 471 CD LYS A 37 -3.319 4.340 -12.720 1.00 0.00 C ATOM 472 CE LYS A 37 -3.843 3.697 -14.005 1.00 0.00 C ATOM 473 NZ LYS A 37 -2.744 3.631 -15.011 1.00 0.00 N ATOM 0 H LYS A 37 -3.409 5.387 -8.292 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.136 2.682 -9.368 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.656 4.979 -10.402 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.605 3.579 -10.327 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.828 2.397 -11.910 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.364 3.031 -11.353 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.935 5.198 -12.452 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.305 4.711 -12.873 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.220 2.696 -13.796 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.678 4.276 -14.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.099 3.194 -15.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.404 4.592 -15.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.961 3.061 -14.633 1.00 0.00 H new ATOM 487 N PHE A 38 -1.893 1.602 -8.459 1.00 0.00 N ATOM 488 CA PHE A 38 -0.906 0.934 -7.565 1.00 0.00 C ATOM 489 C PHE A 38 0.472 1.548 -7.780 1.00 0.00 C ATOM 490 O PHE A 38 1.049 1.434 -8.843 1.00 0.00 O ATOM 491 CB PHE A 38 -0.823 -0.556 -7.903 1.00 0.00 C ATOM 492 CG PHE A 38 -1.735 -1.350 -6.999 1.00 0.00 C ATOM 493 CD1 PHE A 38 -2.781 -0.716 -6.317 1.00 0.00 C ATOM 494 CD2 PHE A 38 -1.531 -2.725 -6.843 1.00 0.00 C ATOM 495 CE1 PHE A 38 -3.621 -1.460 -5.481 1.00 0.00 C ATOM 496 CE2 PHE A 38 -2.371 -3.468 -6.007 1.00 0.00 C ATOM 497 CZ PHE A 38 -3.416 -2.836 -5.325 1.00 0.00 C ATOM 0 H PHE A 38 -2.145 1.079 -9.297 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.224 1.066 -6.531 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.103 -0.716 -8.944 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.204 -0.904 -7.792 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.939 0.346 -6.436 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.724 -3.214 -7.369 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.429 -0.972 -4.955 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.213 -4.530 -5.888 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.064 -3.409 -4.679 1.00 0.00 H new ATOM 507 N SER A 39 1.023 2.175 -6.782 1.00 0.00 N ATOM 508 CA SER A 39 2.377 2.756 -6.956 1.00 0.00 C ATOM 509 C SER A 39 3.324 1.611 -7.305 1.00 0.00 C ATOM 510 O SER A 39 2.922 0.465 -7.345 1.00 0.00 O ATOM 511 CB SER A 39 2.826 3.420 -5.654 1.00 0.00 C ATOM 512 OG SER A 39 2.163 4.670 -5.511 1.00 0.00 O ATOM 0 H SER A 39 0.599 2.309 -5.864 1.00 0.00 H new ATOM 0 HA SER A 39 2.375 3.509 -7.744 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.597 2.775 -4.806 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.906 3.567 -5.661 1.00 0.00 H new ATOM 0 HG SER A 39 2.447 5.098 -4.676 1.00 0.00 H new ATOM 518 N ARG A 40 4.566 1.889 -7.561 1.00 0.00 N ATOM 519 CA ARG A 40 5.498 0.781 -7.902 1.00 0.00 C ATOM 520 C ARG A 40 6.224 0.328 -6.634 1.00 0.00 C ATOM 521 O ARG A 40 6.168 0.981 -5.610 1.00 0.00 O ATOM 522 CB ARG A 40 6.519 1.264 -8.934 1.00 0.00 C ATOM 523 CG ARG A 40 5.922 1.145 -10.338 1.00 0.00 C ATOM 524 CD ARG A 40 5.090 2.391 -10.647 1.00 0.00 C ATOM 525 NE ARG A 40 5.940 3.393 -11.350 1.00 0.00 N ATOM 526 CZ ARG A 40 6.504 4.358 -10.676 1.00 0.00 C ATOM 527 NH1 ARG A 40 5.766 5.259 -10.085 1.00 0.00 N ATOM 528 NH2 ARG A 40 7.804 4.423 -10.591 1.00 0.00 N ATOM 0 H ARG A 40 4.975 2.823 -7.550 1.00 0.00 H new ATOM 0 HA ARG A 40 4.935 -0.053 -8.321 1.00 0.00 H new ATOM 0 HB2 ARG A 40 6.795 2.299 -8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.431 0.671 -8.864 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.718 1.034 -11.075 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.299 0.253 -10.405 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.234 2.125 -11.267 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.695 2.816 -9.724 1.00 0.00 H new ATOM 0 HE ARG A 40 6.081 3.325 -12.358 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.749 5.208 -10.150 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.206 6.013 -9.558 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.381 3.719 -11.052 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.244 5.178 -10.064 1.00 0.00 H new ATOM 542 N ALA A 41 6.905 -0.784 -6.687 1.00 0.00 N ATOM 543 CA ALA A 41 7.629 -1.269 -5.479 1.00 0.00 C ATOM 544 C ALA A 41 8.815 -0.352 -5.207 1.00 0.00 C ATOM 545 O ALA A 41 9.188 0.458 -6.033 1.00 0.00 O ATOM 546 CB ALA A 41 8.127 -2.696 -5.716 1.00 0.00 C ATOM 0 H ALA A 41 6.991 -1.376 -7.513 1.00 0.00 H new ATOM 0 HA ALA A 41 6.956 -1.263 -4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.656 -3.048 -4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.278 -3.349 -5.915 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.802 -2.708 -6.571 1.00 0.00 H new ATOM 552 N GLY A 42 9.403 -0.457 -4.051 1.00 0.00 N ATOM 553 CA GLY A 42 10.551 0.428 -3.732 1.00 0.00 C ATOM 554 C GLY A 42 10.023 1.849 -3.547 1.00 0.00 C ATOM 555 O GLY A 42 10.745 2.816 -3.691 1.00 0.00 O ATOM 0 H GLY A 42 9.139 -1.114 -3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.052 0.088 -2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.288 0.398 -4.534 1.00 0.00 H new ATOM 559 N LYS A 43 8.760 1.984 -3.236 1.00 0.00 N ATOM 560 CA LYS A 43 8.187 3.352 -3.054 1.00 0.00 C ATOM 561 C LYS A 43 8.250 3.738 -1.574 1.00 0.00 C ATOM 562 O LYS A 43 7.759 3.033 -0.717 1.00 0.00 O ATOM 563 CB LYS A 43 6.728 3.372 -3.575 1.00 0.00 C ATOM 564 CG LYS A 43 5.743 3.881 -2.500 1.00 0.00 C ATOM 565 CD LYS A 43 5.912 5.389 -2.304 1.00 0.00 C ATOM 566 CE LYS A 43 5.916 6.091 -3.663 1.00 0.00 C ATOM 567 NZ LYS A 43 5.368 7.467 -3.509 1.00 0.00 N ATOM 0 H LYS A 43 8.105 1.214 -3.101 1.00 0.00 H new ATOM 0 HA LYS A 43 8.765 4.080 -3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.665 4.010 -4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.439 2.368 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.719 3.658 -2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.920 3.362 -1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.103 5.778 -1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.843 5.594 -1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.930 6.134 -4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.317 5.527 -4.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.370 7.947 -4.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.394 7.414 -3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.957 8.002 -2.840 1.00 0.00 H new ATOM 581 N ILE A 44 8.834 4.862 -1.268 1.00 0.00 N ATOM 582 CA ILE A 44 8.895 5.287 0.152 1.00 0.00 C ATOM 583 C ILE A 44 7.465 5.459 0.662 1.00 0.00 C ATOM 584 O ILE A 44 6.740 6.339 0.240 1.00 0.00 O ATOM 585 CB ILE A 44 9.687 6.602 0.263 1.00 0.00 C ATOM 586 CG1 ILE A 44 11.129 6.272 0.644 1.00 0.00 C ATOM 587 CG2 ILE A 44 9.086 7.507 1.342 1.00 0.00 C ATOM 588 CD1 ILE A 44 11.135 5.578 2.008 1.00 0.00 C ATOM 0 H ILE A 44 9.268 5.499 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 44 9.404 4.538 0.759 1.00 0.00 H new ATOM 0 HB ILE A 44 9.647 7.122 -0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 44 11.580 5.626 -0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.727 7.183 0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.661 8.431 1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.052 7.740 1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.117 6.996 2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.160 5.338 2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.699 6.241 2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.550 4.660 1.952 1.00 0.00 H new ATOM 600 N CYS A 45 7.062 4.621 1.568 1.00 0.00 N ATOM 601 CA CYS A 45 5.682 4.719 2.119 1.00 0.00 C ATOM 602 C CYS A 45 5.767 5.138 3.578 1.00 0.00 C ATOM 603 O CYS A 45 4.819 5.630 4.156 1.00 0.00 O ATOM 604 CB CYS A 45 4.988 3.362 2.020 1.00 0.00 C ATOM 605 SG CYS A 45 6.181 2.034 2.324 1.00 0.00 S ATOM 0 H CYS A 45 7.630 3.867 1.955 1.00 0.00 H new ATOM 0 HA CYS A 45 5.111 5.453 1.551 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.176 3.306 2.745 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.543 3.243 1.032 1.00 0.00 H new ATOM 610 N ARG A 46 6.905 4.948 4.173 1.00 0.00 N ATOM 611 CA ARG A 46 7.067 5.335 5.601 1.00 0.00 C ATOM 612 C ARG A 46 8.542 5.596 5.906 1.00 0.00 C ATOM 613 O ARG A 46 9.424 4.991 5.329 1.00 0.00 O ATOM 614 CB ARG A 46 6.553 4.207 6.498 1.00 0.00 C ATOM 615 CG ARG A 46 5.943 4.801 7.769 1.00 0.00 C ATOM 616 CD ARG A 46 4.769 3.932 8.225 1.00 0.00 C ATOM 617 NE ARG A 46 3.710 4.798 8.816 1.00 0.00 N ATOM 618 CZ ARG A 46 2.931 4.328 9.752 1.00 0.00 C ATOM 619 NH1 ARG A 46 3.406 4.109 10.948 1.00 0.00 N ATOM 620 NH2 ARG A 46 1.678 4.075 9.491 1.00 0.00 N ATOM 0 H ARG A 46 7.732 4.542 3.735 1.00 0.00 H new ATOM 0 HA ARG A 46 6.495 6.243 5.792 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.807 3.617 5.966 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.369 3.532 6.755 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.696 4.856 8.555 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.604 5.820 7.581 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.367 3.373 7.380 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.107 3.201 8.959 1.00 0.00 H new ATOM 0 HE ARG A 46 3.594 5.757 8.489 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.386 4.305 11.151 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.797 3.742 11.679 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.308 4.244 8.556 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.069 3.708 10.222 1.00 0.00 H new ATOM 634 N ILE A 47 8.813 6.491 6.815 1.00 0.00 N ATOM 635 CA ILE A 47 10.227 6.796 7.167 1.00 0.00 C ATOM 636 C ILE A 47 10.768 5.690 8.078 1.00 0.00 C ATOM 637 O ILE A 47 10.053 5.141 8.892 1.00 0.00 O ATOM 638 CB ILE A 47 10.288 8.138 7.897 1.00 0.00 C ATOM 639 CG1 ILE A 47 11.751 8.541 8.104 1.00 0.00 C ATOM 640 CG2 ILE A 47 9.597 8.014 9.256 1.00 0.00 C ATOM 641 CD1 ILE A 47 12.209 9.414 6.934 1.00 0.00 C ATOM 0 H ILE A 47 8.114 7.026 7.330 1.00 0.00 H new ATOM 0 HA ILE A 47 10.830 6.849 6.261 1.00 0.00 H new ATOM 0 HB ILE A 47 9.782 8.897 7.301 1.00 0.00 H new ATOM 0 HG12 ILE A 47 11.860 9.085 9.042 1.00 0.00 H new ATOM 0 HG13 ILE A 47 12.378 7.652 8.176 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.641 8.971 9.775 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.555 7.728 9.110 1.00 0.00 H new ATOM 0 HG23 ILE A 47 10.101 7.254 9.853 1.00 0.00 H new ATOM 0 HD11 ILE A 47 13.250 9.701 7.080 1.00 0.00 H new ATOM 0 HD12 ILE A 47 12.114 8.854 6.004 1.00 0.00 H new ATOM 0 HD13 ILE A 47 11.589 10.309 6.884 1.00 0.00 H new ATOM 653 N ALA A 48 12.023 5.357 7.945 1.00 0.00 N ATOM 654 CA ALA A 48 12.602 4.283 8.802 1.00 0.00 C ATOM 655 C ALA A 48 12.698 4.774 10.249 1.00 0.00 C ATOM 656 O ALA A 48 12.883 5.947 10.507 1.00 0.00 O ATOM 657 CB ALA A 48 14.000 3.926 8.294 1.00 0.00 C ATOM 0 H ALA A 48 12.671 5.781 7.282 1.00 0.00 H new ATOM 0 HA ALA A 48 11.961 3.403 8.760 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.425 3.141 8.919 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.934 3.574 7.264 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.639 4.808 8.336 1.00 0.00 H new ATOM 663 N ARG A 49 12.576 3.883 11.195 1.00 0.00 N ATOM 664 CA ARG A 49 12.665 4.295 12.624 1.00 0.00 C ATOM 665 C ARG A 49 14.134 4.320 13.050 1.00 0.00 C ATOM 666 O ARG A 49 14.605 3.439 13.740 1.00 0.00 O ATOM 667 CB ARG A 49 11.901 3.294 13.494 1.00 0.00 C ATOM 668 CG ARG A 49 10.513 3.056 12.899 1.00 0.00 C ATOM 669 CD ARG A 49 9.503 3.992 13.565 1.00 0.00 C ATOM 670 NE ARG A 49 8.374 4.252 12.628 1.00 0.00 N ATOM 671 CZ ARG A 49 7.553 5.240 12.856 1.00 0.00 C ATOM 672 NH1 ARG A 49 7.215 5.539 14.082 1.00 0.00 N ATOM 673 NH2 ARG A 49 7.065 5.927 11.861 1.00 0.00 N ATOM 0 H ARG A 49 12.418 2.887 11.040 1.00 0.00 H new ATOM 0 HA ARG A 49 12.230 5.287 12.746 1.00 0.00 H new ATOM 0 HB2 ARG A 49 12.449 2.354 13.552 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.812 3.674 14.512 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.532 3.231 11.823 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.215 2.018 13.048 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.129 3.545 14.486 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.986 4.930 13.839 1.00 0.00 H new ATOM 0 HE ARG A 49 8.243 3.658 11.809 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.593 5.000 14.861 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.573 6.311 14.260 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.325 5.692 10.903 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.423 6.699 12.041 1.00 0.00 H new ATOM 687 N GLY A 50 14.860 5.322 12.641 1.00 0.00 N ATOM 688 CA GLY A 50 16.298 5.401 13.019 1.00 0.00 C ATOM 689 C GLY A 50 17.096 5.996 11.858 1.00 0.00 C ATOM 690 O GLY A 50 16.998 7.170 11.564 1.00 0.00 O ATOM 0 H GLY A 50 14.520 6.089 12.062 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.418 6.017 13.910 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.676 4.408 13.264 1.00 0.00 H new ATOM 694 N ASP A 51 17.886 5.196 11.195 1.00 0.00 N ATOM 695 CA ASP A 51 18.690 5.721 10.056 1.00 0.00 C ATOM 696 C ASP A 51 19.040 4.575 9.104 1.00 0.00 C ATOM 697 O ASP A 51 20.160 4.457 8.648 1.00 0.00 O ATOM 698 CB ASP A 51 19.980 6.342 10.593 1.00 0.00 C ATOM 699 CG ASP A 51 19.875 7.868 10.547 1.00 0.00 C ATOM 700 OD1 ASP A 51 18.925 8.394 11.104 1.00 0.00 O ATOM 701 OD2 ASP A 51 20.746 8.485 9.957 1.00 0.00 O ATOM 0 H ASP A 51 18.009 4.203 11.393 1.00 0.00 H new ATOM 0 HA ASP A 51 18.112 6.475 9.521 1.00 0.00 H new ATOM 0 HB2 ASP A 51 20.156 6.011 11.616 1.00 0.00 H new ATOM 0 HB3 ASP A 51 20.831 6.008 9.999 1.00 0.00 H new ATOM 706 N TRP A 52 18.095 3.728 8.800 1.00 0.00 N ATOM 707 CA TRP A 52 18.387 2.593 7.881 1.00 0.00 C ATOM 708 C TRP A 52 17.372 2.588 6.733 1.00 0.00 C ATOM 709 O TRP A 52 16.632 3.532 6.542 1.00 0.00 O ATOM 710 CB TRP A 52 18.297 1.275 8.653 1.00 0.00 C ATOM 711 CG TRP A 52 17.199 1.360 9.665 1.00 0.00 C ATOM 712 CD1 TRP A 52 15.902 1.620 9.383 1.00 0.00 C ATOM 713 CD2 TRP A 52 17.277 1.189 11.109 1.00 0.00 C ATOM 714 NE1 TRP A 52 15.178 1.613 10.562 1.00 0.00 N ATOM 715 CE2 TRP A 52 15.981 1.354 11.654 1.00 0.00 C ATOM 716 CE3 TRP A 52 18.336 0.907 11.990 1.00 0.00 C ATOM 717 CZ2 TRP A 52 15.746 1.242 13.024 1.00 0.00 C ATOM 718 CZ3 TRP A 52 18.102 0.797 13.370 1.00 0.00 C ATOM 719 CH2 TRP A 52 16.810 0.964 13.886 1.00 0.00 C ATOM 0 H TRP A 52 17.137 3.773 9.147 1.00 0.00 H new ATOM 0 HA TRP A 52 19.392 2.705 7.473 1.00 0.00 H new ATOM 0 HB2 TRP A 52 18.108 0.451 7.965 1.00 0.00 H new ATOM 0 HB3 TRP A 52 19.246 1.066 9.148 1.00 0.00 H new ATOM 0 HD1 TRP A 52 15.498 1.803 8.398 1.00 0.00 H new ATOM 0 HE1 TRP A 52 14.173 1.779 10.617 1.00 0.00 H new ATOM 0 HE3 TRP A 52 19.335 0.774 11.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 14.748 1.369 13.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 18.923 0.582 14.038 1.00 0.00 H new ATOM 0 HH2 TRP A 52 16.637 0.878 14.949 1.00 0.00 H new ATOM 730 N ASN A 53 17.336 1.532 5.967 1.00 0.00 N ATOM 731 CA ASN A 53 16.374 1.467 4.830 1.00 0.00 C ATOM 732 C ASN A 53 14.986 1.898 5.307 1.00 0.00 C ATOM 733 O ASN A 53 14.529 1.507 6.362 1.00 0.00 O ATOM 734 CB ASN A 53 16.305 0.033 4.300 1.00 0.00 C ATOM 735 CG ASN A 53 17.621 -0.320 3.605 1.00 0.00 C ATOM 736 OD1 ASN A 53 17.761 -0.131 2.413 1.00 0.00 O ATOM 737 ND2 ASN A 53 18.598 -0.832 4.304 1.00 0.00 N ATOM 0 H ASN A 53 17.931 0.711 6.079 1.00 0.00 H new ATOM 0 HA ASN A 53 16.709 2.134 4.036 1.00 0.00 H new ATOM 0 HB2 ASN A 53 16.118 -0.660 5.120 1.00 0.00 H new ATOM 0 HB3 ASN A 53 15.474 -0.068 3.601 1.00 0.00 H new ATOM 0 HD21 ASN A 53 19.479 -1.073 3.849 1.00 0.00 H new ATOM 0 HD22 ASN A 53 18.481 -0.991 5.305 1.00 0.00 H new ATOM 744 N ASP A 54 14.310 2.705 4.535 1.00 0.00 N ATOM 745 CA ASP A 54 12.952 3.164 4.938 1.00 0.00 C ATOM 746 C ASP A 54 11.904 2.191 4.395 1.00 0.00 C ATOM 747 O ASP A 54 12.210 1.300 3.629 1.00 0.00 O ATOM 748 CB ASP A 54 12.695 4.559 4.362 1.00 0.00 C ATOM 749 CG ASP A 54 13.504 5.594 5.146 1.00 0.00 C ATOM 750 OD1 ASP A 54 14.713 5.615 4.989 1.00 0.00 O ATOM 751 OD2 ASP A 54 12.900 6.347 5.892 1.00 0.00 O ATOM 0 H ASP A 54 14.641 3.066 3.641 1.00 0.00 H new ATOM 0 HA ASP A 54 12.888 3.200 6.026 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.974 4.586 3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.632 4.796 4.416 1.00 0.00 H new ATOM 756 N ASP A 55 10.669 2.358 4.782 1.00 0.00 N ATOM 757 CA ASP A 55 9.604 1.444 4.281 1.00 0.00 C ATOM 758 C ASP A 55 9.433 1.651 2.774 1.00 0.00 C ATOM 759 O ASP A 55 9.446 2.763 2.288 1.00 0.00 O ATOM 760 CB ASP A 55 8.287 1.755 4.995 1.00 0.00 C ATOM 761 CG ASP A 55 8.276 1.076 6.366 1.00 0.00 C ATOM 762 OD1 ASP A 55 9.139 1.392 7.169 1.00 0.00 O ATOM 763 OD2 ASP A 55 7.406 0.251 6.590 1.00 0.00 O ATOM 0 H ASP A 55 10.352 3.086 5.422 1.00 0.00 H new ATOM 0 HA ASP A 55 9.884 0.409 4.478 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.169 2.832 5.110 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.446 1.405 4.397 1.00 0.00 H new ATOM 768 N ARG A 56 9.282 0.589 2.033 1.00 0.00 N ATOM 769 CA ARG A 56 9.118 0.728 0.558 1.00 0.00 C ATOM 770 C ARG A 56 7.876 -0.033 0.099 1.00 0.00 C ATOM 771 O ARG A 56 7.705 -1.199 0.396 1.00 0.00 O ATOM 772 CB ARG A 56 10.350 0.156 -0.143 1.00 0.00 C ATOM 773 CG ARG A 56 11.568 1.030 0.164 1.00 0.00 C ATOM 774 CD ARG A 56 11.700 2.119 -0.903 1.00 0.00 C ATOM 775 NE ARG A 56 12.883 2.972 -0.596 1.00 0.00 N ATOM 776 CZ ARG A 56 13.976 2.850 -1.301 1.00 0.00 C ATOM 777 NH1 ARG A 56 13.915 2.841 -2.603 1.00 0.00 N ATOM 778 NH2 ARG A 56 15.129 2.740 -0.700 1.00 0.00 N ATOM 0 H ARG A 56 9.265 -0.369 2.384 1.00 0.00 H new ATOM 0 HA ARG A 56 9.006 1.783 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.529 -0.866 0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.182 0.114 -1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.464 1.483 1.150 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.470 0.419 0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.810 1.667 -1.889 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.796 2.728 -0.931 1.00 0.00 H new ATOM 0 HE ARG A 56 12.839 3.651 0.164 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.013 2.929 -3.072 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.769 2.746 -3.153 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.176 2.749 0.319 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.983 2.645 -1.249 1.00 0.00 H new ATOM 792 N CYS A 57 7.008 0.614 -0.629 1.00 0.00 N ATOM 793 CA CYS A 57 5.782 -0.078 -1.110 1.00 0.00 C ATOM 794 C CYS A 57 6.187 -1.257 -1.987 1.00 0.00 C ATOM 795 O CYS A 57 7.254 -1.262 -2.575 1.00 0.00 O ATOM 796 CB CYS A 57 4.934 0.890 -1.933 1.00 0.00 C ATOM 797 SG CYS A 57 3.830 1.808 -0.835 1.00 0.00 S ATOM 0 H CYS A 57 7.096 1.590 -0.911 1.00 0.00 H new ATOM 0 HA CYS A 57 5.204 -0.430 -0.255 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.577 1.580 -2.479 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.353 0.341 -2.674 1.00 0.00 H new ATOM 802 N THR A 58 5.341 -2.251 -2.076 1.00 0.00 N ATOM 803 CA THR A 58 5.657 -3.444 -2.911 1.00 0.00 C ATOM 804 C THR A 58 5.365 -3.138 -4.379 1.00 0.00 C ATOM 805 O THR A 58 5.790 -3.849 -5.269 1.00 0.00 O ATOM 806 CB THR A 58 4.791 -4.624 -2.459 1.00 0.00 C ATOM 807 OG1 THR A 58 3.859 -4.177 -1.484 1.00 0.00 O ATOM 808 CG2 THR A 58 5.679 -5.715 -1.856 1.00 0.00 C ATOM 0 H THR A 58 4.439 -2.286 -1.602 1.00 0.00 H new ATOM 0 HA THR A 58 6.711 -3.695 -2.796 1.00 0.00 H new ATOM 0 HB THR A 58 4.256 -5.031 -3.317 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.543 -4.942 -0.959 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.059 -6.553 -1.536 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.394 -6.058 -2.604 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.217 -5.313 -0.998 1.00 0.00 H new ATOM 816 N GLY A 59 4.638 -2.088 -4.641 1.00 0.00 N ATOM 817 CA GLY A 59 4.313 -1.743 -6.052 1.00 0.00 C ATOM 818 C GLY A 59 3.019 -2.450 -6.457 1.00 0.00 C ATOM 819 O GLY A 59 2.157 -1.875 -7.092 1.00 0.00 O ATOM 0 H GLY A 59 4.255 -1.454 -3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.201 -0.664 -6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.128 -2.045 -6.710 1.00 0.00 H new ATOM 823 N GLN A 60 2.874 -3.692 -6.087 1.00 0.00 N ATOM 824 CA GLN A 60 1.635 -4.438 -6.438 1.00 0.00 C ATOM 825 C GLN A 60 0.694 -4.440 -5.234 1.00 0.00 C ATOM 826 O GLN A 60 -0.316 -5.116 -5.223 1.00 0.00 O ATOM 827 CB GLN A 60 1.992 -5.881 -6.805 1.00 0.00 C ATOM 828 CG GLN A 60 2.362 -5.958 -8.287 1.00 0.00 C ATOM 829 CD GLN A 60 3.658 -6.755 -8.448 1.00 0.00 C ATOM 830 OE1 GLN A 60 4.482 -6.434 -9.281 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.876 -7.787 -7.679 1.00 0.00 N ATOM 0 H GLN A 60 3.563 -4.224 -5.555 1.00 0.00 H new ATOM 0 HA GLN A 60 1.148 -3.959 -7.287 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.825 -6.227 -6.193 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.149 -6.539 -6.596 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.558 -6.433 -8.849 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.486 -4.955 -8.694 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.184 -8.057 -6.979 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.738 -8.323 -7.778 1.00 0.00 H new ATOM 840 N SER A 61 1.017 -3.689 -4.214 1.00 0.00 N ATOM 841 CA SER A 61 0.139 -3.652 -3.010 1.00 0.00 C ATOM 842 C SER A 61 -0.147 -2.196 -2.628 1.00 0.00 C ATOM 843 O SER A 61 0.755 -1.422 -2.379 1.00 0.00 O ATOM 844 CB SER A 61 0.839 -4.356 -1.847 1.00 0.00 C ATOM 845 OG SER A 61 1.748 -5.321 -2.362 1.00 0.00 O ATOM 0 H SER A 61 1.849 -3.101 -4.164 1.00 0.00 H new ATOM 0 HA SER A 61 -0.800 -4.160 -3.231 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.371 -3.629 -1.234 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.104 -4.839 -1.203 1.00 0.00 H new ATOM 0 HG SER A 61 2.630 -4.910 -2.480 1.00 0.00 H new ATOM 851 N ALA A 62 -1.397 -1.819 -2.576 1.00 0.00 N ATOM 852 CA ALA A 62 -1.734 -0.414 -2.207 1.00 0.00 C ATOM 853 C ALA A 62 -1.238 -0.135 -0.787 1.00 0.00 C ATOM 854 O ALA A 62 -0.709 0.921 -0.500 1.00 0.00 O ATOM 855 CB ALA A 62 -3.251 -0.216 -2.266 1.00 0.00 C ATOM 0 H ALA A 62 -2.196 -2.421 -2.772 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.255 0.272 -2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.495 0.812 -1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.605 -0.419 -3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.735 -0.899 -1.568 1.00 0.00 H new ATOM 861 N ASP A 63 -1.401 -1.074 0.103 1.00 0.00 N ATOM 862 CA ASP A 63 -0.938 -0.863 1.503 1.00 0.00 C ATOM 863 C ASP A 63 0.572 -1.095 1.575 1.00 0.00 C ATOM 864 O ASP A 63 1.082 -2.075 1.070 1.00 0.00 O ATOM 865 CB ASP A 63 -1.649 -1.848 2.431 1.00 0.00 C ATOM 866 CG ASP A 63 -2.960 -1.232 2.923 1.00 0.00 C ATOM 867 OD1 ASP A 63 -3.858 -1.076 2.113 1.00 0.00 O ATOM 868 OD2 ASP A 63 -3.041 -0.924 4.100 1.00 0.00 O ATOM 0 H ASP A 63 -1.835 -1.979 -0.079 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.168 0.156 1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.849 -2.781 1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.009 -2.092 3.279 1.00 0.00 H new ATOM 873 N CYS A 64 1.291 -0.202 2.196 1.00 0.00 N ATOM 874 CA CYS A 64 2.766 -0.377 2.292 1.00 0.00 C ATOM 875 C CYS A 64 3.087 -1.497 3.282 1.00 0.00 C ATOM 876 O CYS A 64 2.629 -1.483 4.408 1.00 0.00 O ATOM 877 CB CYS A 64 3.410 0.939 2.750 1.00 0.00 C ATOM 878 SG CYS A 64 5.109 0.634 3.300 1.00 0.00 S ATOM 0 H CYS A 64 0.922 0.639 2.640 1.00 0.00 H new ATOM 0 HA CYS A 64 3.167 -0.646 1.315 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.407 1.660 1.932 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.828 1.376 3.562 1.00 0.00 H new ATOM 883 N PRO A 65 3.872 -2.435 2.819 1.00 0.00 N ATOM 884 CA PRO A 65 4.288 -3.589 3.623 1.00 0.00 C ATOM 885 C PRO A 65 5.430 -3.199 4.567 1.00 0.00 C ATOM 886 O PRO A 65 5.907 -2.081 4.554 1.00 0.00 O ATOM 887 CB PRO A 65 4.772 -4.589 2.575 1.00 0.00 C ATOM 888 CG PRO A 65 5.136 -3.780 1.314 1.00 0.00 C ATOM 889 CD PRO A 65 4.418 -2.434 1.442 1.00 0.00 C ATOM 0 HA PRO A 65 3.492 -3.984 4.255 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.637 -5.143 2.941 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.995 -5.321 2.353 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.214 -3.639 1.241 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.821 -4.304 0.412 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.105 -1.602 1.288 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.625 -2.335 0.701 1.00 0.00 H new ATOM 897 N ARG A 66 5.879 -4.115 5.382 1.00 0.00 N ATOM 898 CA ARG A 66 6.996 -3.798 6.317 1.00 0.00 C ATOM 899 C ARG A 66 8.322 -4.189 5.663 1.00 0.00 C ATOM 900 O ARG A 66 8.579 -5.348 5.402 1.00 0.00 O ATOM 901 CB ARG A 66 6.814 -4.585 7.618 1.00 0.00 C ATOM 902 CG ARG A 66 6.104 -3.707 8.650 1.00 0.00 C ATOM 903 CD ARG A 66 6.955 -3.618 9.918 1.00 0.00 C ATOM 904 NE ARG A 66 6.181 -4.142 11.077 1.00 0.00 N ATOM 905 CZ ARG A 66 6.636 -3.985 12.289 1.00 0.00 C ATOM 906 NH1 ARG A 66 7.879 -3.636 12.479 1.00 0.00 N ATOM 907 NH2 ARG A 66 5.849 -4.175 13.312 1.00 0.00 N ATOM 0 H ARG A 66 5.521 -5.068 5.441 1.00 0.00 H new ATOM 0 HA ARG A 66 6.997 -2.731 6.540 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.232 -5.488 7.431 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.783 -4.904 8.001 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.936 -2.711 8.241 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.125 -4.124 8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.874 -4.191 9.792 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.247 -2.584 10.100 1.00 0.00 H new ATOM 0 HE ARG A 66 5.295 -4.624 10.923 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.495 -3.486 11.680 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.235 -3.513 13.427 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.877 -4.447 13.164 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.206 -4.052 14.260 1.00 0.00 H new ATOM 921 N ASN A 67 9.165 -3.231 5.386 1.00 0.00 N ATOM 922 CA ASN A 67 10.469 -3.555 4.740 1.00 0.00 C ATOM 923 C ASN A 67 11.623 -3.129 5.651 1.00 0.00 C ATOM 924 O ASN A 67 12.740 -2.949 5.206 1.00 0.00 O ATOM 925 CB ASN A 67 10.572 -2.811 3.407 1.00 0.00 C ATOM 926 CG ASN A 67 10.592 -3.823 2.258 1.00 0.00 C ATOM 927 OD1 ASN A 67 11.631 -4.351 1.918 1.00 0.00 O ATOM 928 ND2 ASN A 67 9.479 -4.116 1.643 1.00 0.00 N ATOM 0 H ASN A 67 9.008 -2.242 5.578 1.00 0.00 H new ATOM 0 HA ASN A 67 10.527 -4.630 4.568 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.728 -2.131 3.292 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.477 -2.203 3.386 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.482 -4.789 0.876 1.00 0.00 H new ATOM 0 HD22 ASN A 67 8.606 -3.672 1.929 1.00 0.00 H new ATOM 935 N GLY A 68 11.369 -2.967 6.920 1.00 0.00 N ATOM 936 CA GLY A 68 12.460 -2.556 7.849 1.00 0.00 C ATOM 937 C GLY A 68 13.489 -3.683 7.957 1.00 0.00 C ATOM 938 O GLY A 68 13.575 -4.543 7.101 1.00 0.00 O ATOM 0 H GLY A 68 10.456 -3.101 7.354 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.938 -1.646 7.486 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.049 -2.329 8.833 1.00 0.00 H new ATOM 942 N LEU A 69 14.271 -3.690 9.002 1.00 0.00 N ATOM 943 CA LEU A 69 15.293 -4.763 9.164 1.00 0.00 C ATOM 944 C LEU A 69 14.732 -5.864 10.066 1.00 0.00 C ATOM 945 O LEU A 69 15.286 -6.942 10.165 1.00 0.00 O ATOM 946 CB LEU A 69 16.556 -4.176 9.798 1.00 0.00 C ATOM 947 CG LEU A 69 17.125 -3.087 8.889 1.00 0.00 C ATOM 948 CD1 LEU A 69 17.487 -1.858 9.726 1.00 0.00 C ATOM 949 CD2 LEU A 69 18.380 -3.611 8.186 1.00 0.00 C ATOM 0 H LEU A 69 14.246 -2.998 9.751 1.00 0.00 H new ATOM 0 HA LEU A 69 15.540 -5.181 8.188 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.324 -3.761 10.779 1.00 0.00 H new ATOM 0 HB3 LEU A 69 17.297 -4.961 9.951 1.00 0.00 H new ATOM 0 HG LEU A 69 16.378 -2.812 8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 69 17.893 -1.082 9.077 1.00 0.00 H new ATOM 0 HD12 LEU A 69 16.594 -1.483 10.226 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.232 -2.133 10.472 1.00 0.00 H new ATOM 0 HD21 LEU A 69 18.785 -2.834 7.538 1.00 0.00 H new ATOM 0 HD22 LEU A 69 19.126 -3.887 8.931 1.00 0.00 H new ATOM 0 HD23 LEU A 69 18.124 -4.485 7.588 1.00 0.00 H new ATOM 961 N TYR A 70 13.638 -5.601 10.727 1.00 0.00 N ATOM 962 CA TYR A 70 13.043 -6.631 11.626 1.00 0.00 C ATOM 963 C TYR A 70 11.526 -6.662 11.431 1.00 0.00 C ATOM 964 O TYR A 70 10.939 -5.737 10.906 1.00 0.00 O ATOM 965 CB TYR A 70 13.361 -6.294 13.088 1.00 0.00 C ATOM 966 CG TYR A 70 13.554 -4.803 13.242 1.00 0.00 C ATOM 967 CD1 TYR A 70 14.719 -4.197 12.756 1.00 0.00 C ATOM 968 CD2 TYR A 70 12.571 -4.029 13.868 1.00 0.00 C ATOM 969 CE1 TYR A 70 14.901 -2.816 12.897 1.00 0.00 C ATOM 970 CE2 TYR A 70 12.753 -2.648 14.010 1.00 0.00 C ATOM 971 CZ TYR A 70 13.918 -2.042 13.524 1.00 0.00 C ATOM 972 OH TYR A 70 14.097 -0.681 13.664 1.00 0.00 O ATOM 0 H TYR A 70 13.130 -4.717 10.684 1.00 0.00 H new ATOM 0 HA TYR A 70 13.465 -7.606 11.382 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.550 -6.633 13.733 1.00 0.00 H new ATOM 0 HB3 TYR A 70 14.261 -6.821 13.404 1.00 0.00 H new ATOM 0 HD1 TYR A 70 15.477 -4.795 12.272 1.00 0.00 H new ATOM 0 HD2 TYR A 70 11.672 -4.497 14.242 1.00 0.00 H new ATOM 0 HE1 TYR A 70 15.799 -2.348 12.522 1.00 0.00 H new ATOM 0 HE2 TYR A 70 11.995 -2.050 14.494 1.00 0.00 H new ATOM 0 HH TYR A 70 15.029 -0.452 13.466 1.00 0.00 H new ATOM 982 N GLY A 71 10.886 -7.719 11.851 1.00 0.00 N ATOM 983 CA GLY A 71 9.408 -7.808 11.691 1.00 0.00 C ATOM 984 C GLY A 71 8.729 -6.929 12.742 1.00 0.00 C ATOM 985 O GLY A 71 7.729 -6.313 12.414 1.00 0.00 O ATOM 986 OXT GLY A 71 9.220 -6.888 13.858 1.00 0.00 O ATOM 0 H GLY A 71 11.323 -8.525 12.298 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.120 -7.486 10.690 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.081 -8.842 11.800 1.00 0.00 H new TER 990 GLY A 71