USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 425 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 NoAdj-H: A 33 HIS HD1 : A 33 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 48 LYS NZ :NH3+ -121:sc= -0.757 (180deg=-0.797) USER MOD Set 1.2: A 49 GLN : amide:sc= -0.91 K(o=-1.7,f=-6.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.82! C(o=-1.8!,f=-1.7!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0228 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -179:sc= -0.0835 (180deg=-0.086) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= -0.0169 (180deg=-0.241) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 46 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-1.9) USER MOD Single : A 50 TYR OH : rot 116:sc= 0.11 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 155:sc= 1.29 USER MOD Single : A 56 SER OG : rot 180:sc= -0.878 USER MOD Single : A 57 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.21) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -160:sc= -0.114 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.247 27.870 3.357 1.00 0.00 N ATOM 2 CA GLY A 1 0.078 26.831 2.398 1.00 0.00 C ATOM 3 C GLY A 1 -0.366 25.457 2.859 1.00 0.00 C ATOM 4 O GLY A 1 0.436 24.525 2.918 1.00 0.00 O ATOM 0 H1 GLY A 1 0.077 28.790 2.995 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.276 27.898 3.503 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.225 27.668 4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.395 27.061 1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.154 26.823 2.226 1.00 0.00 H new ATOM 8 N SER A 2 -1.648 25.330 3.188 1.00 0.00 N ATOM 9 CA SER A 2 -2.196 24.061 3.652 1.00 0.00 C ATOM 10 C SER A 2 -2.380 23.091 2.488 1.00 0.00 C ATOM 11 O SER A 2 -2.844 23.473 1.415 1.00 0.00 O ATOM 12 CB SER A 2 -3.534 24.287 4.358 1.00 0.00 C ATOM 13 OG SER A 2 -3.356 24.993 5.574 1.00 0.00 O ATOM 0 H SER A 2 -2.326 26.090 3.142 1.00 0.00 H new ATOM 0 HA SER A 2 -1.490 23.625 4.358 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.204 24.845 3.704 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.010 23.327 4.557 1.00 0.00 H new ATOM 0 HG SER A 2 -4.226 25.126 6.005 1.00 0.00 H new ATOM 19 N SER A 3 -2.011 21.834 2.711 1.00 0.00 N ATOM 20 CA SER A 3 -2.131 20.808 1.681 1.00 0.00 C ATOM 21 C SER A 3 -3.417 20.007 1.859 1.00 0.00 C ATOM 22 O SER A 3 -3.423 18.784 1.727 1.00 0.00 O ATOM 23 CB SER A 3 -0.923 19.870 1.723 1.00 0.00 C ATOM 24 OG SER A 3 0.281 20.578 1.484 1.00 0.00 O ATOM 0 H SER A 3 -1.627 21.501 3.595 1.00 0.00 H new ATOM 0 HA SER A 3 -2.164 21.304 0.711 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.873 19.379 2.695 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.042 19.085 0.976 1.00 0.00 H new ATOM 0 HG SER A 3 1.038 19.957 1.518 1.00 0.00 H new ATOM 30 N GLY A 4 -4.507 20.708 2.160 1.00 0.00 N ATOM 31 CA GLY A 4 -5.784 20.047 2.351 1.00 0.00 C ATOM 32 C GLY A 4 -5.779 19.109 3.541 1.00 0.00 C ATOM 33 O GLY A 4 -5.519 17.914 3.397 1.00 0.00 O ATOM 0 H GLY A 4 -4.527 21.721 2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.562 20.798 2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.037 19.486 1.451 1.00 0.00 H new ATOM 37 N SER A 5 -6.066 19.650 4.721 1.00 0.00 N ATOM 38 CA SER A 5 -6.087 18.853 5.942 1.00 0.00 C ATOM 39 C SER A 5 -7.409 18.103 6.078 1.00 0.00 C ATOM 40 O SER A 5 -8.053 18.142 7.126 1.00 0.00 O ATOM 41 CB SER A 5 -5.869 19.748 7.164 1.00 0.00 C ATOM 42 OG SER A 5 -6.890 20.724 7.271 1.00 0.00 O ATOM 0 H SER A 5 -6.287 20.636 4.857 1.00 0.00 H new ATOM 0 HA SER A 5 -5.279 18.124 5.885 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.849 19.137 8.067 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.899 20.239 7.090 1.00 0.00 H new ATOM 0 HG SER A 5 -6.728 21.281 8.061 1.00 0.00 H new ATOM 48 N SER A 6 -7.806 17.420 5.009 1.00 0.00 N ATOM 49 CA SER A 6 -9.052 16.662 5.006 1.00 0.00 C ATOM 50 C SER A 6 -8.814 15.226 4.549 1.00 0.00 C ATOM 51 O SER A 6 -9.614 14.659 3.805 1.00 0.00 O ATOM 52 CB SER A 6 -10.081 17.336 4.095 1.00 0.00 C ATOM 53 OG SER A 6 -10.836 18.302 4.805 1.00 0.00 O ATOM 0 H SER A 6 -7.283 17.376 4.134 1.00 0.00 H new ATOM 0 HA SER A 6 -9.438 16.641 6.025 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.572 17.812 3.257 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.749 16.583 3.677 1.00 0.00 H new ATOM 0 HG SER A 6 -11.485 18.719 4.200 1.00 0.00 H new ATOM 59 N GLY A 7 -7.707 14.644 5.000 1.00 0.00 N ATOM 60 CA GLY A 7 -7.383 13.279 4.628 1.00 0.00 C ATOM 61 C GLY A 7 -5.931 12.935 4.898 1.00 0.00 C ATOM 62 O GLY A 7 -5.026 13.579 4.369 1.00 0.00 O ATOM 0 H GLY A 7 -7.029 15.093 5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.025 12.593 5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.597 13.133 3.569 1.00 0.00 H new ATOM 66 N GLN A 8 -5.710 11.917 5.724 1.00 0.00 N ATOM 67 CA GLN A 8 -4.358 11.491 6.064 1.00 0.00 C ATOM 68 C GLN A 8 -4.301 9.982 6.278 1.00 0.00 C ATOM 69 O GLN A 8 -5.334 9.317 6.364 1.00 0.00 O ATOM 70 CB GLN A 8 -3.874 12.214 7.322 1.00 0.00 C ATOM 71 CG GLN A 8 -4.554 11.742 8.596 1.00 0.00 C ATOM 72 CD GLN A 8 -6.067 11.756 8.490 1.00 0.00 C ATOM 73 OE1 GLN A 8 -6.683 12.816 8.382 1.00 0.00 O ATOM 74 NE2 GLN A 8 -6.674 10.575 8.519 1.00 0.00 N ATOM 0 H GLN A 8 -6.449 11.373 6.169 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.703 11.747 5.231 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.798 12.072 7.421 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.045 13.284 7.204 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.219 10.731 8.829 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.246 12.379 9.425 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.124 9.721 8.610 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.690 10.522 8.450 1.00 0.00 H new ATOM 83 N CYS A 9 -3.088 9.446 6.363 1.00 0.00 N ATOM 84 CA CYS A 9 -2.895 8.016 6.566 1.00 0.00 C ATOM 85 C CYS A 9 -3.517 7.565 7.885 1.00 0.00 C ATOM 86 O CYS A 9 -3.343 8.210 8.918 1.00 0.00 O ATOM 87 CB CYS A 9 -1.404 7.673 6.548 1.00 0.00 C ATOM 88 SG CYS A 9 -1.040 5.920 6.885 1.00 0.00 S ATOM 0 H CYS A 9 -2.223 9.982 6.294 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.391 7.489 5.751 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.993 7.938 5.574 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.892 8.288 7.288 1.00 0.00 H new ATOM 93 N GLY A 10 -4.242 6.451 7.841 1.00 0.00 N ATOM 94 CA GLY A 10 -4.878 5.932 9.037 1.00 0.00 C ATOM 95 C GLY A 10 -3.919 5.147 9.909 1.00 0.00 C ATOM 96 O GLY A 10 -4.058 5.124 11.132 1.00 0.00 O ATOM 0 H GLY A 10 -4.400 5.899 6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.293 6.760 9.612 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.713 5.291 8.752 1.00 0.00 H new ATOM 100 N ALA A 11 -2.944 4.499 9.280 1.00 0.00 N ATOM 101 CA ALA A 11 -1.958 3.709 10.007 1.00 0.00 C ATOM 102 C ALA A 11 -1.135 4.585 10.945 1.00 0.00 C ATOM 103 O ALA A 11 -1.091 4.350 12.153 1.00 0.00 O ATOM 104 CB ALA A 11 -1.048 2.975 9.033 1.00 0.00 C ATOM 0 H ALA A 11 -2.816 4.506 8.268 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.491 2.976 10.612 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.317 2.389 9.590 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.645 2.311 8.407 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.530 3.698 8.403 1.00 0.00 H new ATOM 110 N CYS A 12 -0.484 5.597 10.382 1.00 0.00 N ATOM 111 CA CYS A 12 0.339 6.509 11.167 1.00 0.00 C ATOM 112 C CYS A 12 -0.208 7.932 11.099 1.00 0.00 C ATOM 113 O CYS A 12 -0.339 8.608 12.118 1.00 0.00 O ATOM 114 CB CYS A 12 1.785 6.483 10.668 1.00 0.00 C ATOM 115 SG CYS A 12 2.003 7.145 8.985 1.00 0.00 S ATOM 0 H CYS A 12 -0.510 5.806 9.384 1.00 0.00 H new ATOM 0 HA CYS A 12 0.314 6.178 12.205 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.406 7.057 11.356 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.148 5.456 10.693 1.00 0.00 H new ATOM 120 N GLY A 13 -0.527 8.380 9.888 1.00 0.00 N ATOM 121 CA GLY A 13 -1.057 9.719 9.709 1.00 0.00 C ATOM 122 C GLY A 13 0.030 10.741 9.436 1.00 0.00 C ATOM 123 O GLY A 13 -0.041 11.873 9.912 1.00 0.00 O ATOM 0 H GLY A 13 -0.428 7.840 9.029 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.767 9.718 8.882 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.609 10.010 10.602 1.00 0.00 H new ATOM 127 N GLU A 14 1.038 10.339 8.668 1.00 0.00 N ATOM 128 CA GLU A 14 2.145 11.228 8.335 1.00 0.00 C ATOM 129 C GLU A 14 1.672 12.377 7.448 1.00 0.00 C ATOM 130 O GLU A 14 0.588 12.321 6.868 1.00 0.00 O ATOM 131 CB GLU A 14 3.259 10.451 7.631 1.00 0.00 C ATOM 132 CG GLU A 14 4.261 9.824 8.587 1.00 0.00 C ATOM 133 CD GLU A 14 5.458 9.230 7.870 1.00 0.00 C ATOM 134 OE1 GLU A 14 5.277 8.695 6.756 1.00 0.00 O ATOM 135 OE2 GLU A 14 6.575 9.301 8.423 1.00 0.00 O ATOM 0 H GLU A 14 1.111 9.405 8.265 1.00 0.00 H new ATOM 0 HA GLU A 14 2.534 11.645 9.264 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.813 9.667 7.019 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.787 11.122 6.953 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.604 10.579 9.295 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.766 9.045 9.167 1.00 0.00 H new ATOM 142 N SER A 15 2.494 13.416 7.348 1.00 0.00 N ATOM 143 CA SER A 15 2.160 14.580 6.536 1.00 0.00 C ATOM 144 C SER A 15 2.462 14.320 5.063 1.00 0.00 C ATOM 145 O SER A 15 3.309 13.491 4.729 1.00 0.00 O ATOM 146 CB SER A 15 2.938 15.806 7.019 1.00 0.00 C ATOM 147 OG SER A 15 2.700 16.923 6.180 1.00 0.00 O ATOM 0 H SER A 15 3.397 13.476 7.819 1.00 0.00 H new ATOM 0 HA SER A 15 1.092 14.771 6.642 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.646 16.046 8.041 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.004 15.581 7.036 1.00 0.00 H new ATOM 0 HG SER A 15 3.207 17.694 6.510 1.00 0.00 H new ATOM 153 N TYR A 16 1.763 15.033 4.188 1.00 0.00 N ATOM 154 CA TYR A 16 1.953 14.879 2.750 1.00 0.00 C ATOM 155 C TYR A 16 3.437 14.805 2.402 1.00 0.00 C ATOM 156 O TYR A 16 4.160 15.795 2.505 1.00 0.00 O ATOM 157 CB TYR A 16 1.299 16.040 2.000 1.00 0.00 C ATOM 158 CG TYR A 16 1.583 16.038 0.515 1.00 0.00 C ATOM 159 CD1 TYR A 16 1.014 15.084 -0.319 1.00 0.00 C ATOM 160 CD2 TYR A 16 2.421 16.990 -0.053 1.00 0.00 C ATOM 161 CE1 TYR A 16 1.271 15.078 -1.677 1.00 0.00 C ATOM 162 CE2 TYR A 16 2.682 16.992 -1.410 1.00 0.00 C ATOM 163 CZ TYR A 16 2.105 16.034 -2.217 1.00 0.00 C ATOM 164 OH TYR A 16 2.364 16.032 -3.569 1.00 0.00 O ATOM 0 H TYR A 16 1.059 15.724 4.449 1.00 0.00 H new ATOM 0 HA TYR A 16 1.479 13.946 2.445 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.221 16.000 2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.648 16.980 2.427 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.360 14.334 0.101 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.876 17.741 0.576 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.821 14.329 -2.312 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.334 17.740 -1.836 1.00 0.00 H new ATOM 0 HH TYR A 16 2.969 16.771 -3.787 1.00 0.00 H new ATOM 174 N ALA A 17 3.882 13.623 1.989 1.00 0.00 N ATOM 175 CA ALA A 17 5.278 13.418 1.622 1.00 0.00 C ATOM 176 C ALA A 17 5.466 13.493 0.111 1.00 0.00 C ATOM 177 O ALA A 17 4.494 13.552 -0.642 1.00 0.00 O ATOM 178 CB ALA A 17 5.772 12.080 2.152 1.00 0.00 C ATOM 0 H ALA A 17 3.296 12.793 1.900 1.00 0.00 H new ATOM 0 HA ALA A 17 5.867 14.216 2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.816 11.940 1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.684 12.064 3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.171 11.276 1.727 1.00 0.00 H new ATOM 184 N ALA A 18 6.721 13.491 -0.326 1.00 0.00 N ATOM 185 CA ALA A 18 7.035 13.557 -1.748 1.00 0.00 C ATOM 186 C ALA A 18 7.701 12.271 -2.223 1.00 0.00 C ATOM 187 O ALA A 18 7.221 11.617 -3.150 1.00 0.00 O ATOM 188 CB ALA A 18 7.929 14.754 -2.035 1.00 0.00 C ATOM 0 H ALA A 18 7.537 13.444 0.284 1.00 0.00 H new ATOM 0 HA ALA A 18 6.101 13.675 -2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.156 14.791 -3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.416 15.670 -1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.856 14.659 -1.470 1.00 0.00 H new ATOM 194 N ASP A 19 8.809 11.913 -1.585 1.00 0.00 N ATOM 195 CA ASP A 19 9.542 10.704 -1.942 1.00 0.00 C ATOM 196 C ASP A 19 9.054 9.511 -1.125 1.00 0.00 C ATOM 197 O ASP A 19 9.670 9.139 -0.127 1.00 0.00 O ATOM 198 CB ASP A 19 11.042 10.907 -1.726 1.00 0.00 C ATOM 199 CG ASP A 19 11.390 11.142 -0.269 1.00 0.00 C ATOM 200 OD1 ASP A 19 10.921 12.151 0.298 1.00 0.00 O ATOM 201 OD2 ASP A 19 12.132 10.317 0.304 1.00 0.00 O ATOM 0 H ASP A 19 9.220 12.443 -0.817 1.00 0.00 H new ATOM 0 HA ASP A 19 9.360 10.498 -2.997 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.580 10.031 -2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.380 11.757 -2.319 1.00 0.00 H new ATOM 206 N GLU A 20 7.945 8.919 -1.556 1.00 0.00 N ATOM 207 CA GLU A 20 7.375 7.770 -0.862 1.00 0.00 C ATOM 208 C GLU A 20 6.398 7.020 -1.763 1.00 0.00 C ATOM 209 O GLU A 20 6.060 7.483 -2.852 1.00 0.00 O ATOM 210 CB GLU A 20 6.665 8.219 0.417 1.00 0.00 C ATOM 211 CG GLU A 20 7.613 8.544 1.558 1.00 0.00 C ATOM 212 CD GLU A 20 6.925 8.536 2.909 1.00 0.00 C ATOM 213 OE1 GLU A 20 6.023 9.374 3.120 1.00 0.00 O ATOM 214 OE2 GLU A 20 7.289 7.693 3.756 1.00 0.00 O ATOM 0 H GLU A 20 7.424 9.215 -2.381 1.00 0.00 H new ATOM 0 HA GLU A 20 8.190 7.096 -0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.060 9.099 0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.981 7.433 0.737 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.428 7.820 1.565 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.058 9.524 1.387 1.00 0.00 H new ATOM 221 N PHE A 21 5.948 5.858 -1.300 1.00 0.00 N ATOM 222 CA PHE A 21 5.012 5.042 -2.064 1.00 0.00 C ATOM 223 C PHE A 21 3.719 4.823 -1.283 1.00 0.00 C ATOM 224 O PHE A 21 3.717 4.182 -0.233 1.00 0.00 O ATOM 225 CB PHE A 21 5.644 3.694 -2.413 1.00 0.00 C ATOM 226 CG PHE A 21 4.651 2.570 -2.501 1.00 0.00 C ATOM 227 CD1 PHE A 21 3.484 2.715 -3.234 1.00 0.00 C ATOM 228 CD2 PHE A 21 4.884 1.370 -1.850 1.00 0.00 C ATOM 229 CE1 PHE A 21 2.568 1.683 -3.317 1.00 0.00 C ATOM 230 CE2 PHE A 21 3.972 0.334 -1.930 1.00 0.00 C ATOM 231 CZ PHE A 21 2.812 0.492 -2.663 1.00 0.00 C ATOM 0 H PHE A 21 6.217 5.461 -0.400 1.00 0.00 H new ATOM 0 HA PHE A 21 4.774 5.573 -2.986 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.166 3.782 -3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.394 3.448 -1.661 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.288 3.645 -3.746 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.788 1.242 -1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.663 1.808 -3.893 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.166 -0.598 -1.420 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.097 -0.315 -2.724 1.00 0.00 H new ATOM 241 N TRP A 22 2.622 5.361 -1.804 1.00 0.00 N ATOM 242 CA TRP A 22 1.323 5.226 -1.156 1.00 0.00 C ATOM 243 C TRP A 22 0.476 4.164 -1.850 1.00 0.00 C ATOM 244 O TRP A 22 0.698 3.848 -3.020 1.00 0.00 O ATOM 245 CB TRP A 22 0.586 6.566 -1.160 1.00 0.00 C ATOM 246 CG TRP A 22 1.314 7.646 -0.419 1.00 0.00 C ATOM 247 CD1 TRP A 22 2.620 8.013 -0.579 1.00 0.00 C ATOM 248 CD2 TRP A 22 0.778 8.498 0.600 1.00 0.00 C ATOM 249 NE1 TRP A 22 2.928 9.041 0.279 1.00 0.00 N ATOM 250 CE2 TRP A 22 1.815 9.358 1.012 1.00 0.00 C ATOM 251 CE3 TRP A 22 -0.477 8.620 1.202 1.00 0.00 C ATOM 252 CZ2 TRP A 22 1.633 10.323 1.999 1.00 0.00 C ATOM 253 CZ3 TRP A 22 -0.656 9.578 2.181 1.00 0.00 C ATOM 254 CH2 TRP A 22 0.394 10.420 2.572 1.00 0.00 C ATOM 0 H TRP A 22 2.606 5.895 -2.673 1.00 0.00 H new ATOM 0 HA TRP A 22 1.490 4.914 -0.125 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.430 6.884 -2.191 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.400 6.432 -0.716 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.309 7.561 -1.277 1.00 0.00 H new ATOM 0 HE1 TRP A 22 3.838 9.495 0.357 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -1.293 7.977 0.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 2.441 10.972 2.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -1.622 9.680 2.653 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.222 11.159 3.340 1.00 0.00 H new ATOM 265 N ILE A 23 -0.493 3.619 -1.124 1.00 0.00 N ATOM 266 CA ILE A 23 -1.373 2.594 -1.672 1.00 0.00 C ATOM 267 C ILE A 23 -2.790 3.127 -1.857 1.00 0.00 C ATOM 268 O ILE A 23 -3.210 4.056 -1.166 1.00 0.00 O ATOM 269 CB ILE A 23 -1.420 1.349 -0.766 1.00 0.00 C ATOM 270 CG1 ILE A 23 -2.500 1.511 0.305 1.00 0.00 C ATOM 271 CG2 ILE A 23 -0.061 1.110 -0.124 1.00 0.00 C ATOM 272 CD1 ILE A 23 -3.899 1.238 -0.202 1.00 0.00 C ATOM 0 H ILE A 23 -0.689 3.870 -0.155 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.963 2.313 -2.642 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.669 0.482 -1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.284 0.835 1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.457 2.525 0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.110 0.227 0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.687 0.955 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.215 1.976 0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.613 1.372 0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.135 1.931 -1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.958 0.215 -0.572 1.00 0.00 H new ATOM 284 N CYS A 24 -3.522 2.533 -2.792 1.00 0.00 N ATOM 285 CA CYS A 24 -4.893 2.947 -3.068 1.00 0.00 C ATOM 286 C CYS A 24 -5.867 1.798 -2.830 1.00 0.00 C ATOM 287 O CYS A 24 -5.901 0.831 -3.592 1.00 0.00 O ATOM 288 CB CYS A 24 -5.017 3.447 -4.508 1.00 0.00 C ATOM 289 SG CYS A 24 -4.173 5.015 -4.822 1.00 0.00 S ATOM 0 H CYS A 24 -3.189 1.763 -3.372 1.00 0.00 H new ATOM 0 HA CYS A 24 -5.145 3.759 -2.386 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -4.614 2.689 -5.180 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.073 3.560 -4.752 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.334 5.353 -6.067 1.00 0.00 H new ATOM 295 N CYS A 25 -6.656 1.909 -1.767 1.00 0.00 N ATOM 296 CA CYS A 25 -7.630 0.879 -1.426 1.00 0.00 C ATOM 297 C CYS A 25 -8.850 0.960 -2.338 1.00 0.00 C ATOM 298 O CYS A 25 -9.087 1.980 -2.986 1.00 0.00 O ATOM 299 CB CYS A 25 -8.061 1.019 0.035 1.00 0.00 C ATOM 300 SG CYS A 25 -9.298 -0.209 0.567 1.00 0.00 S ATOM 0 H CYS A 25 -6.640 2.702 -1.126 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.158 -0.093 -1.567 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.181 0.932 0.672 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.468 2.019 0.188 1.00 0.00 H new ATOM 305 N ASP A 26 -9.621 -0.121 -2.383 1.00 0.00 N ATOM 306 CA ASP A 26 -10.818 -0.172 -3.215 1.00 0.00 C ATOM 307 C ASP A 26 -12.074 0.035 -2.373 1.00 0.00 C ATOM 308 O ASP A 26 -13.049 0.631 -2.830 1.00 0.00 O ATOM 309 CB ASP A 26 -10.897 -1.511 -3.950 1.00 0.00 C ATOM 310 CG ASP A 26 -12.206 -1.686 -4.695 1.00 0.00 C ATOM 311 OD1 ASP A 26 -12.479 -0.883 -5.612 1.00 0.00 O ATOM 312 OD2 ASP A 26 -12.956 -2.626 -4.362 1.00 0.00 O ATOM 0 H ASP A 26 -9.439 -0.973 -1.853 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.756 0.633 -3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.069 -1.585 -4.655 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.779 -2.323 -3.233 1.00 0.00 H new ATOM 317 N LEU A 27 -12.043 -0.463 -1.142 1.00 0.00 N ATOM 318 CA LEU A 27 -13.179 -0.334 -0.236 1.00 0.00 C ATOM 319 C LEU A 27 -13.261 1.077 0.337 1.00 0.00 C ATOM 320 O LEU A 27 -14.226 1.802 0.093 1.00 0.00 O ATOM 321 CB LEU A 27 -13.068 -1.352 0.901 1.00 0.00 C ATOM 322 CG LEU A 27 -13.605 -2.752 0.602 1.00 0.00 C ATOM 323 CD1 LEU A 27 -12.812 -3.802 1.366 1.00 0.00 C ATOM 324 CD2 LEU A 27 -15.084 -2.842 0.949 1.00 0.00 C ATOM 0 H LEU A 27 -11.244 -0.960 -0.748 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.089 -0.530 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.019 -1.439 1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.599 -0.958 1.768 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.490 -2.944 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.208 -4.792 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.764 -3.754 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.895 -3.613 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.449 -3.845 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.223 -2.629 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.641 -2.116 0.357 1.00 0.00 H new ATOM 336 N CYS A 28 -12.242 1.462 1.098 1.00 0.00 N ATOM 337 CA CYS A 28 -12.197 2.787 1.704 1.00 0.00 C ATOM 338 C CYS A 28 -11.665 3.820 0.715 1.00 0.00 C ATOM 339 O CYS A 28 -12.108 4.968 0.704 1.00 0.00 O ATOM 340 CB CYS A 28 -11.322 2.767 2.958 1.00 0.00 C ATOM 341 SG CYS A 28 -11.254 1.150 3.793 1.00 0.00 S ATOM 0 H CYS A 28 -11.436 0.874 1.310 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.213 3.067 1.982 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.310 3.066 2.686 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.696 3.511 3.661 1.00 0.00 H new ATOM 346 N GLU A 29 -10.714 3.402 -0.114 1.00 0.00 N ATOM 347 CA GLU A 29 -10.122 4.291 -1.106 1.00 0.00 C ATOM 348 C GLU A 29 -9.414 5.464 -0.433 1.00 0.00 C ATOM 349 O GLU A 29 -9.476 6.596 -0.910 1.00 0.00 O ATOM 350 CB GLU A 29 -11.196 4.812 -2.064 1.00 0.00 C ATOM 351 CG GLU A 29 -11.745 3.747 -2.999 1.00 0.00 C ATOM 352 CD GLU A 29 -12.432 4.338 -4.215 1.00 0.00 C ATOM 353 OE1 GLU A 29 -11.943 5.362 -4.734 1.00 0.00 O ATOM 354 OE2 GLU A 29 -13.459 3.774 -4.647 1.00 0.00 O ATOM 0 H GLU A 29 -10.337 2.454 -0.118 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.386 3.721 -1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.017 5.232 -1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.778 5.625 -2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.931 3.100 -3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.452 3.121 -2.455 1.00 0.00 H new ATOM 361 N MET A 30 -8.742 5.182 0.679 1.00 0.00 N ATOM 362 CA MET A 30 -8.022 6.213 1.418 1.00 0.00 C ATOM 363 C MET A 30 -6.582 6.325 0.930 1.00 0.00 C ATOM 364 O MET A 30 -6.185 5.654 -0.023 1.00 0.00 O ATOM 365 CB MET A 30 -8.043 5.904 2.916 1.00 0.00 C ATOM 366 CG MET A 30 -9.286 6.418 3.625 1.00 0.00 C ATOM 367 SD MET A 30 -9.375 5.884 5.345 1.00 0.00 S ATOM 368 CE MET A 30 -8.100 6.902 6.083 1.00 0.00 C ATOM 0 H MET A 30 -8.681 4.249 1.088 1.00 0.00 H new ATOM 0 HA MET A 30 -8.521 7.166 1.244 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.974 4.825 3.057 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.161 6.344 3.382 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.298 7.507 3.586 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.172 6.070 3.094 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.022 6.673 7.146 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.146 6.699 5.597 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.355 7.954 5.956 1.00 0.00 H new ATOM 378 N TRP A 31 -5.804 7.177 1.589 1.00 0.00 N ATOM 379 CA TRP A 31 -4.407 7.377 1.221 1.00 0.00 C ATOM 380 C TRP A 31 -3.477 6.860 2.313 1.00 0.00 C ATOM 381 O TRP A 31 -3.191 7.564 3.282 1.00 0.00 O ATOM 382 CB TRP A 31 -4.134 8.859 0.960 1.00 0.00 C ATOM 383 CG TRP A 31 -4.517 9.300 -0.420 1.00 0.00 C ATOM 384 CD1 TRP A 31 -5.565 10.106 -0.761 1.00 0.00 C ATOM 385 CD2 TRP A 31 -3.856 8.958 -1.643 1.00 0.00 C ATOM 386 NE1 TRP A 31 -5.596 10.285 -2.123 1.00 0.00 N ATOM 387 CE2 TRP A 31 -4.558 9.592 -2.687 1.00 0.00 C ATOM 388 CE3 TRP A 31 -2.739 8.179 -1.958 1.00 0.00 C ATOM 389 CZ2 TRP A 31 -4.178 9.469 -4.021 1.00 0.00 C ATOM 390 CZ3 TRP A 31 -2.364 8.058 -3.282 1.00 0.00 C ATOM 391 CH2 TRP A 31 -3.081 8.700 -4.300 1.00 0.00 C ATOM 0 H TRP A 31 -6.117 7.740 2.380 1.00 0.00 H new ATOM 0 HA TRP A 31 -4.213 6.813 0.308 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -4.682 9.456 1.689 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -3.074 9.059 1.116 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.266 10.539 -0.063 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.281 10.844 -2.632 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -2.179 7.681 -1.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -4.729 9.963 -4.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.503 7.458 -3.537 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.762 8.586 -5.325 1.00 0.00 H new ATOM 402 N PHE A 32 -3.008 5.627 2.151 1.00 0.00 N ATOM 403 CA PHE A 32 -2.111 5.017 3.125 1.00 0.00 C ATOM 404 C PHE A 32 -0.688 4.936 2.578 1.00 0.00 C ATOM 405 O PHE A 32 -0.415 5.377 1.461 1.00 0.00 O ATOM 406 CB PHE A 32 -2.605 3.618 3.499 1.00 0.00 C ATOM 407 CG PHE A 32 -4.001 3.604 4.053 1.00 0.00 C ATOM 408 CD1 PHE A 32 -4.303 4.282 5.222 1.00 0.00 C ATOM 409 CD2 PHE A 32 -5.011 2.912 3.404 1.00 0.00 C ATOM 410 CE1 PHE A 32 -5.587 4.272 5.735 1.00 0.00 C ATOM 411 CE2 PHE A 32 -6.297 2.898 3.911 1.00 0.00 C ATOM 412 CZ PHE A 32 -6.585 3.578 5.079 1.00 0.00 C ATOM 0 H PHE A 32 -3.234 5.031 1.355 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.104 5.643 4.017 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.566 2.980 2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.926 3.186 4.235 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.526 4.825 5.739 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.791 2.378 2.492 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.809 4.806 6.647 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.076 2.356 3.395 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.588 3.567 5.478 1.00 0.00 H new ATOM 422 N HIS A 33 0.214 4.370 3.373 1.00 0.00 N ATOM 423 CA HIS A 33 1.609 4.231 2.970 1.00 0.00 C ATOM 424 C HIS A 33 1.961 2.767 2.726 1.00 0.00 C ATOM 425 O HIS A 33 1.671 1.903 3.553 1.00 0.00 O ATOM 426 CB HIS A 33 2.532 4.819 4.038 1.00 0.00 C ATOM 427 CG HIS A 33 2.368 6.296 4.225 1.00 0.00 C ATOM 428 ND1 HIS A 33 1.554 6.847 5.192 1.00 0.00 N ATOM 429 CD2 HIS A 33 2.921 7.338 3.562 1.00 0.00 C ATOM 430 CE1 HIS A 33 1.612 8.164 5.115 1.00 0.00 C ATOM 431 NE2 HIS A 33 2.435 8.488 4.134 1.00 0.00 N ATOM 0 H HIS A 33 0.004 4.000 4.300 1.00 0.00 H new ATOM 0 HA HIS A 33 1.748 4.780 2.039 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.341 4.318 4.987 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.567 4.608 3.768 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.615 7.277 2.737 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.077 8.858 5.747 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.671 9.438 3.848 1.00 0.00 H new ATOM 439 N GLY A 34 2.586 2.495 1.585 1.00 0.00 N ATOM 440 CA GLY A 34 2.966 1.135 1.253 1.00 0.00 C ATOM 441 C GLY A 34 3.474 0.364 2.455 1.00 0.00 C ATOM 442 O GLY A 34 2.944 -0.694 2.794 1.00 0.00 O ATOM 0 H GLY A 34 2.836 3.193 0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.107 0.615 0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.739 1.154 0.485 1.00 0.00 H new ATOM 446 N LYS A 35 4.506 0.895 3.103 1.00 0.00 N ATOM 447 CA LYS A 35 5.087 0.251 4.275 1.00 0.00 C ATOM 448 C LYS A 35 4.042 0.071 5.371 1.00 0.00 C ATOM 449 O LYS A 35 4.037 -0.938 6.078 1.00 0.00 O ATOM 450 CB LYS A 35 6.262 1.076 4.806 1.00 0.00 C ATOM 451 CG LYS A 35 5.847 2.409 5.405 1.00 0.00 C ATOM 452 CD LYS A 35 6.987 3.053 6.175 1.00 0.00 C ATOM 453 CE LYS A 35 7.879 3.881 5.262 1.00 0.00 C ATOM 454 NZ LYS A 35 9.132 4.305 5.946 1.00 0.00 N ATOM 0 H LYS A 35 4.957 1.770 2.836 1.00 0.00 H new ATOM 0 HA LYS A 35 5.448 -0.733 3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.790 0.496 5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.966 1.256 3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.519 3.079 4.611 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.996 2.261 6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.582 3.688 6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.581 2.280 6.662 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.129 3.300 4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.334 4.762 4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.712 4.867 5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.895 4.881 6.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.665 3.464 6.247 1.00 0.00 H new ATOM 468 N CYS A 36 3.158 1.053 5.507 1.00 0.00 N ATOM 469 CA CYS A 36 2.107 1.003 6.516 1.00 0.00 C ATOM 470 C CYS A 36 1.138 -0.141 6.235 1.00 0.00 C ATOM 471 O CYS A 36 0.744 -0.873 7.144 1.00 0.00 O ATOM 472 CB CYS A 36 1.348 2.331 6.557 1.00 0.00 C ATOM 473 SG CYS A 36 2.200 3.647 7.485 1.00 0.00 S ATOM 0 H CYS A 36 3.149 1.894 4.930 1.00 0.00 H new ATOM 0 HA CYS A 36 2.575 0.829 7.485 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.179 2.672 5.536 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.368 2.163 7.003 1.00 0.00 H new ATOM 478 N VAL A 37 0.757 -0.291 4.970 1.00 0.00 N ATOM 479 CA VAL A 37 -0.165 -1.347 4.569 1.00 0.00 C ATOM 480 C VAL A 37 0.553 -2.686 4.448 1.00 0.00 C ATOM 481 O VAL A 37 -0.014 -3.665 3.962 1.00 0.00 O ATOM 482 CB VAL A 37 -0.845 -1.017 3.227 1.00 0.00 C ATOM 483 CG1 VAL A 37 -1.604 0.298 3.321 1.00 0.00 C ATOM 484 CG2 VAL A 37 0.183 -0.971 2.106 1.00 0.00 C ATOM 0 H VAL A 37 1.073 0.306 4.205 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.926 -1.416 5.346 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.562 -1.806 2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.078 0.514 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.368 0.223 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.911 1.101 3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.315 -0.737 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.926 -0.204 2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.676 -1.940 2.024 1.00 0.00 H new ATOM 494 N LYS A 38 1.805 -2.723 4.892 1.00 0.00 N ATOM 495 CA LYS A 38 2.602 -3.942 4.836 1.00 0.00 C ATOM 496 C LYS A 38 2.818 -4.385 3.392 1.00 0.00 C ATOM 497 O LYS A 38 2.647 -5.558 3.061 1.00 0.00 O ATOM 498 CB LYS A 38 1.918 -5.060 5.626 1.00 0.00 C ATOM 499 CG LYS A 38 1.899 -4.821 7.126 1.00 0.00 C ATOM 500 CD LYS A 38 1.364 -6.030 7.876 1.00 0.00 C ATOM 501 CE LYS A 38 2.468 -7.032 8.177 1.00 0.00 C ATOM 502 NZ LYS A 38 3.413 -6.523 9.209 1.00 0.00 N ATOM 0 H LYS A 38 2.290 -1.921 5.295 1.00 0.00 H new ATOM 0 HA LYS A 38 3.574 -3.732 5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.893 -5.170 5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.428 -6.002 5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.907 -4.594 7.472 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.282 -3.951 7.349 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.901 -5.706 8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.585 -6.511 7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.026 -7.968 8.519 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.016 -7.255 7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.942 -7.319 9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.078 -5.854 8.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.880 -6.039 9.959 1.00 0.00 H new ATOM 516 N ILE A 39 3.196 -3.439 2.539 1.00 0.00 N ATOM 517 CA ILE A 39 3.438 -3.733 1.132 1.00 0.00 C ATOM 518 C ILE A 39 4.674 -3.000 0.622 1.00 0.00 C ATOM 519 O ILE A 39 4.985 -1.896 1.071 1.00 0.00 O ATOM 520 CB ILE A 39 2.229 -3.345 0.260 1.00 0.00 C ATOM 521 CG1 ILE A 39 1.092 -4.352 0.450 1.00 0.00 C ATOM 522 CG2 ILE A 39 2.635 -3.268 -1.204 1.00 0.00 C ATOM 523 CD1 ILE A 39 -0.217 -3.908 -0.166 1.00 0.00 C ATOM 0 H ILE A 39 3.341 -2.463 2.797 1.00 0.00 H new ATOM 0 HA ILE A 39 3.600 -4.808 1.058 1.00 0.00 H new ATOM 0 HB ILE A 39 1.876 -2.362 0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.385 -5.306 0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.943 -4.523 1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.770 -2.993 -1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.416 -2.518 -1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.010 -4.238 -1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.977 -4.670 0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.533 -2.969 0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.084 -3.765 -1.238 1.00 0.00 H new ATOM 535 N THR A 40 5.376 -3.620 -0.322 1.00 0.00 N ATOM 536 CA THR A 40 6.577 -3.027 -0.895 1.00 0.00 C ATOM 537 C THR A 40 6.267 -2.311 -2.204 1.00 0.00 C ATOM 538 O THR A 40 5.315 -2.643 -2.911 1.00 0.00 O ATOM 539 CB THR A 40 7.662 -4.090 -1.149 1.00 0.00 C ATOM 540 OG1 THR A 40 7.130 -5.151 -1.951 1.00 0.00 O ATOM 541 CG2 THR A 40 8.186 -4.654 0.163 1.00 0.00 C ATOM 0 H THR A 40 5.133 -4.533 -0.706 1.00 0.00 H new ATOM 0 HA THR A 40 6.949 -2.304 -0.169 1.00 0.00 H new ATOM 0 HB THR A 40 8.488 -3.614 -1.677 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.826 -5.822 -2.110 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.951 -5.403 -0.043 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.617 -3.849 0.759 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.366 -5.115 0.714 1.00 0.00 H new ATOM 549 N PRO A 41 7.088 -1.304 -2.538 1.00 0.00 N ATOM 550 CA PRO A 41 6.922 -0.520 -3.766 1.00 0.00 C ATOM 551 C PRO A 41 7.244 -1.329 -5.018 1.00 0.00 C ATOM 552 O PRO A 41 6.904 -0.930 -6.131 1.00 0.00 O ATOM 553 CB PRO A 41 7.924 0.624 -3.595 1.00 0.00 C ATOM 554 CG PRO A 41 8.962 0.084 -2.673 1.00 0.00 C ATOM 555 CD PRO A 41 8.243 -0.853 -1.743 1.00 0.00 C ATOM 0 HA PRO A 41 5.893 -0.186 -3.901 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.358 0.917 -4.551 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.446 1.510 -3.177 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.742 -0.438 -3.227 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.448 0.887 -2.119 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.877 -1.688 -1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.929 -0.349 -0.829 1.00 0.00 H new ATOM 563 N ALA A 42 7.903 -2.468 -4.827 1.00 0.00 N ATOM 564 CA ALA A 42 8.269 -3.334 -5.941 1.00 0.00 C ATOM 565 C ALA A 42 7.204 -4.398 -6.183 1.00 0.00 C ATOM 566 O ALA A 42 7.064 -4.909 -7.294 1.00 0.00 O ATOM 567 CB ALA A 42 9.619 -3.984 -5.682 1.00 0.00 C ATOM 0 H ALA A 42 8.194 -2.812 -3.912 1.00 0.00 H new ATOM 0 HA ALA A 42 8.340 -2.720 -6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.880 -4.628 -6.522 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.379 -3.211 -5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.567 -4.580 -4.771 1.00 0.00 H new ATOM 573 N ARG A 43 6.456 -4.728 -5.135 1.00 0.00 N ATOM 574 CA ARG A 43 5.405 -5.734 -5.233 1.00 0.00 C ATOM 575 C ARG A 43 4.091 -5.105 -5.688 1.00 0.00 C ATOM 576 O ARG A 43 3.298 -5.737 -6.384 1.00 0.00 O ATOM 577 CB ARG A 43 5.209 -6.431 -3.885 1.00 0.00 C ATOM 578 CG ARG A 43 4.043 -7.405 -3.867 1.00 0.00 C ATOM 579 CD ARG A 43 3.652 -7.781 -2.446 1.00 0.00 C ATOM 580 NE ARG A 43 2.951 -9.060 -2.391 1.00 0.00 N ATOM 581 CZ ARG A 43 2.147 -9.415 -1.395 1.00 0.00 C ATOM 582 NH1 ARG A 43 1.944 -8.591 -0.376 1.00 0.00 N ATOM 583 NH2 ARG A 43 1.544 -10.597 -1.416 1.00 0.00 N ATOM 0 H ARG A 43 6.558 -4.314 -4.209 1.00 0.00 H new ATOM 0 HA ARG A 43 5.711 -6.472 -5.975 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.123 -6.966 -3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.053 -5.676 -3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.188 -6.959 -4.375 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.310 -8.304 -4.422 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.547 -7.831 -1.825 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.016 -7.001 -2.027 1.00 0.00 H new ATOM 0 HE ARG A 43 3.086 -9.717 -3.159 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.406 -7.682 -0.356 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.326 -8.866 0.387 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.698 -11.234 -2.198 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.927 -10.868 -0.651 1.00 0.00 H new ATOM 597 N ALA A 44 3.869 -3.857 -5.289 1.00 0.00 N ATOM 598 CA ALA A 44 2.653 -3.142 -5.657 1.00 0.00 C ATOM 599 C ALA A 44 2.349 -3.304 -7.142 1.00 0.00 C ATOM 600 O ALA A 44 1.216 -3.593 -7.525 1.00 0.00 O ATOM 601 CB ALA A 44 2.779 -1.668 -5.299 1.00 0.00 C ATOM 0 H ALA A 44 4.515 -3.320 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 44 1.824 -3.572 -5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.864 -1.146 -5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.940 -1.567 -4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.623 -1.234 -5.835 1.00 0.00 H new ATOM 607 N GLU A 45 3.369 -3.115 -7.974 1.00 0.00 N ATOM 608 CA GLU A 45 3.209 -3.240 -9.418 1.00 0.00 C ATOM 609 C GLU A 45 2.415 -4.494 -9.772 1.00 0.00 C ATOM 610 O GLU A 45 1.717 -4.536 -10.785 1.00 0.00 O ATOM 611 CB GLU A 45 4.576 -3.278 -10.104 1.00 0.00 C ATOM 612 CG GLU A 45 5.649 -3.975 -9.284 1.00 0.00 C ATOM 613 CD GLU A 45 6.841 -4.395 -10.121 1.00 0.00 C ATOM 614 OE1 GLU A 45 7.228 -3.631 -11.030 1.00 0.00 O ATOM 615 OE2 GLU A 45 7.388 -5.489 -9.866 1.00 0.00 O ATOM 0 H GLU A 45 4.314 -2.875 -7.673 1.00 0.00 H new ATOM 0 HA GLU A 45 2.657 -2.370 -9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.478 -3.785 -11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.896 -2.258 -10.314 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.984 -3.308 -8.490 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.220 -4.854 -8.803 1.00 0.00 H new ATOM 622 N HIS A 46 2.527 -5.515 -8.928 1.00 0.00 N ATOM 623 CA HIS A 46 1.820 -6.772 -9.151 1.00 0.00 C ATOM 624 C HIS A 46 0.434 -6.736 -8.513 1.00 0.00 C ATOM 625 O HIS A 46 -0.517 -7.314 -9.040 1.00 0.00 O ATOM 626 CB HIS A 46 2.625 -7.941 -8.583 1.00 0.00 C ATOM 627 CG HIS A 46 4.011 -8.042 -9.142 1.00 0.00 C ATOM 628 ND1 HIS A 46 4.329 -8.833 -10.226 1.00 0.00 N ATOM 629 CD2 HIS A 46 5.164 -7.444 -8.763 1.00 0.00 C ATOM 630 CE1 HIS A 46 5.619 -8.719 -10.488 1.00 0.00 C ATOM 631 NE2 HIS A 46 6.149 -7.881 -9.614 1.00 0.00 N ATOM 0 H HIS A 46 3.100 -5.497 -8.084 1.00 0.00 H new ATOM 0 HA HIS A 46 1.703 -6.909 -10.226 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.686 -7.837 -7.500 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.092 -8.870 -8.785 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.287 -6.752 -7.943 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.150 -9.224 -11.281 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.130 -7.604 -9.578 1.00 0.00 H new ATOM 640 N ILE A 47 0.328 -6.054 -7.378 1.00 0.00 N ATOM 641 CA ILE A 47 -0.941 -5.943 -6.670 1.00 0.00 C ATOM 642 C ILE A 47 -1.917 -5.048 -7.427 1.00 0.00 C ATOM 643 O ILE A 47 -1.545 -3.984 -7.922 1.00 0.00 O ATOM 644 CB ILE A 47 -0.746 -5.382 -5.248 1.00 0.00 C ATOM 645 CG1 ILE A 47 0.125 -6.329 -4.419 1.00 0.00 C ATOM 646 CG2 ILE A 47 -2.093 -5.165 -4.575 1.00 0.00 C ATOM 647 CD1 ILE A 47 0.516 -5.764 -3.071 1.00 0.00 C ATOM 0 H ILE A 47 1.106 -5.570 -6.929 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.353 -6.950 -6.602 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.239 -4.420 -5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.411 -7.266 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.029 -6.565 -4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.939 -4.769 -3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.681 -4.457 -5.158 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.625 -6.114 -4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.132 -6.488 -2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.080 -4.842 -3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.382 -5.554 -2.490 1.00 0.00 H new ATOM 659 N LYS A 48 -3.168 -5.486 -7.513 1.00 0.00 N ATOM 660 CA LYS A 48 -4.200 -4.725 -8.207 1.00 0.00 C ATOM 661 C LYS A 48 -5.057 -3.943 -7.217 1.00 0.00 C ATOM 662 O LYS A 48 -5.064 -2.712 -7.225 1.00 0.00 O ATOM 663 CB LYS A 48 -5.083 -5.661 -9.035 1.00 0.00 C ATOM 664 CG LYS A 48 -4.551 -5.920 -10.434 1.00 0.00 C ATOM 665 CD LYS A 48 -4.637 -4.677 -11.303 1.00 0.00 C ATOM 666 CE LYS A 48 -5.958 -4.613 -12.054 1.00 0.00 C ATOM 667 NZ LYS A 48 -7.015 -3.929 -11.259 1.00 0.00 N ATOM 0 H LYS A 48 -3.492 -6.365 -7.110 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.708 -4.016 -8.873 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.182 -6.612 -8.511 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.083 -5.233 -9.109 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.515 -6.252 -10.374 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.118 -6.728 -10.896 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.527 -3.789 -10.681 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.812 -4.672 -12.015 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.814 -4.086 -12.997 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.285 -5.623 -12.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.816 -4.577 -11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.628 -3.648 -10.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.341 -3.083 -11.769 1.00 0.00 H new ATOM 681 N GLN A 49 -5.778 -4.666 -6.366 1.00 0.00 N ATOM 682 CA GLN A 49 -6.638 -4.038 -5.370 1.00 0.00 C ATOM 683 C GLN A 49 -6.448 -4.684 -4.001 1.00 0.00 C ATOM 684 O GLN A 49 -7.186 -5.594 -3.625 1.00 0.00 O ATOM 685 CB GLN A 49 -8.104 -4.139 -5.794 1.00 0.00 C ATOM 686 CG GLN A 49 -8.563 -2.988 -6.676 1.00 0.00 C ATOM 687 CD GLN A 49 -8.289 -3.234 -8.146 1.00 0.00 C ATOM 688 OE1 GLN A 49 -8.372 -4.366 -8.624 1.00 0.00 O ATOM 689 NE2 GLN A 49 -7.961 -2.173 -8.873 1.00 0.00 N ATOM 0 H GLN A 49 -5.784 -5.686 -6.346 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.359 -2.987 -5.298 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.256 -5.077 -6.327 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.730 -4.175 -4.902 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.631 -2.828 -6.531 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.059 -2.073 -6.365 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.904 -1.253 -8.436 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.766 -2.278 -9.869 1.00 0.00 H new ATOM 698 N TYR A 50 -5.452 -4.208 -3.262 1.00 0.00 N ATOM 699 CA TYR A 50 -5.163 -4.741 -1.936 1.00 0.00 C ATOM 700 C TYR A 50 -6.164 -4.220 -0.909 1.00 0.00 C ATOM 701 O TYR A 50 -6.693 -3.117 -1.043 1.00 0.00 O ATOM 702 CB TYR A 50 -3.741 -4.369 -1.513 1.00 0.00 C ATOM 703 CG TYR A 50 -3.456 -4.628 -0.051 1.00 0.00 C ATOM 704 CD1 TYR A 50 -3.215 -5.916 0.412 1.00 0.00 C ATOM 705 CD2 TYR A 50 -3.430 -3.587 0.868 1.00 0.00 C ATOM 706 CE1 TYR A 50 -2.955 -6.159 1.747 1.00 0.00 C ATOM 707 CE2 TYR A 50 -3.169 -3.819 2.205 1.00 0.00 C ATOM 708 CZ TYR A 50 -2.933 -5.107 2.639 1.00 0.00 C ATOM 709 OH TYR A 50 -2.674 -5.343 3.970 1.00 0.00 O ATOM 0 H TYR A 50 -4.832 -3.455 -3.558 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.249 -5.827 -1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.032 -4.934 -2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.572 -3.313 -1.726 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.231 -6.742 -0.284 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.617 -2.578 0.532 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.770 -7.166 2.090 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.150 -2.997 2.906 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.832 -4.909 4.221 1.00 0.00 H new ATOM 719 N LYS A 51 -6.418 -5.024 0.119 1.00 0.00 N ATOM 720 CA LYS A 51 -7.354 -4.646 1.172 1.00 0.00 C ATOM 721 C LYS A 51 -6.617 -4.046 2.365 1.00 0.00 C ATOM 722 O LYS A 51 -6.070 -4.769 3.198 1.00 0.00 O ATOM 723 CB LYS A 51 -8.166 -5.863 1.621 1.00 0.00 C ATOM 724 CG LYS A 51 -9.376 -5.507 2.468 1.00 0.00 C ATOM 725 CD LYS A 51 -10.174 -6.744 2.847 1.00 0.00 C ATOM 726 CE LYS A 51 -11.611 -6.393 3.199 1.00 0.00 C ATOM 727 NZ LYS A 51 -12.435 -7.610 3.444 1.00 0.00 N ATOM 0 H LYS A 51 -5.989 -5.941 0.245 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.031 -3.893 0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.498 -6.413 0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.519 -6.532 2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.050 -4.992 3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.015 -4.815 1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.164 -7.453 2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.701 -7.238 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.623 -5.761 4.087 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.052 -5.813 2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.408 -7.329 3.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.444 -8.201 2.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.029 -8.151 4.234 1.00 0.00 H new ATOM 741 N CYS A 52 -6.607 -2.719 2.442 1.00 0.00 N ATOM 742 CA CYS A 52 -5.938 -2.021 3.533 1.00 0.00 C ATOM 743 C CYS A 52 -6.273 -2.663 4.876 1.00 0.00 C ATOM 744 O CYS A 52 -7.321 -3.286 5.050 1.00 0.00 O ATOM 745 CB CYS A 52 -6.342 -0.545 3.545 1.00 0.00 C ATOM 746 SG CYS A 52 -7.951 -0.222 4.337 1.00 0.00 S ATOM 0 H CYS A 52 -7.055 -2.106 1.761 1.00 0.00 H new ATOM 0 HA CYS A 52 -4.862 -2.095 3.374 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.572 0.027 4.063 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -6.374 -0.180 2.519 1.00 0.00 H new ATOM 751 N PRO A 53 -5.363 -2.508 5.849 1.00 0.00 N ATOM 752 CA PRO A 53 -5.540 -3.065 7.194 1.00 0.00 C ATOM 753 C PRO A 53 -6.641 -2.354 7.975 1.00 0.00 C ATOM 754 O PRO A 53 -6.940 -2.717 9.113 1.00 0.00 O ATOM 755 CB PRO A 53 -4.180 -2.832 7.855 1.00 0.00 C ATOM 756 CG PRO A 53 -3.598 -1.670 7.128 1.00 0.00 C ATOM 757 CD PRO A 53 -4.092 -1.778 5.712 1.00 0.00 C ATOM 0 HA PRO A 53 -5.842 -4.112 7.166 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.288 -2.619 8.919 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.542 -3.712 7.769 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.912 -0.729 7.580 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.509 -1.693 7.164 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.239 -0.796 5.262 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.386 -2.316 5.080 1.00 0.00 H new ATOM 765 N SER A 54 -7.239 -1.341 7.357 1.00 0.00 N ATOM 766 CA SER A 54 -8.305 -0.578 7.996 1.00 0.00 C ATOM 767 C SER A 54 -9.657 -1.255 7.790 1.00 0.00 C ATOM 768 O SER A 54 -10.490 -1.291 8.696 1.00 0.00 O ATOM 769 CB SER A 54 -8.345 0.846 7.440 1.00 0.00 C ATOM 770 OG SER A 54 -7.038 1.331 7.183 1.00 0.00 O ATOM 0 H SER A 54 -7.004 -1.029 6.415 1.00 0.00 H new ATOM 0 HA SER A 54 -8.098 -0.537 9.065 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.930 0.864 6.521 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.847 1.503 8.150 1.00 0.00 H new ATOM 0 HG SER A 54 -7.077 2.030 6.497 1.00 0.00 H new ATOM 776 N CYS A 55 -9.867 -1.790 6.592 1.00 0.00 N ATOM 777 CA CYS A 55 -11.116 -2.465 6.264 1.00 0.00 C ATOM 778 C CYS A 55 -11.024 -3.958 6.568 1.00 0.00 C ATOM 779 O CYS A 55 -11.931 -4.538 7.164 1.00 0.00 O ATOM 780 CB CYS A 55 -11.463 -2.254 4.789 1.00 0.00 C ATOM 781 SG CYS A 55 -10.065 -2.521 3.652 1.00 0.00 S ATOM 0 H CYS A 55 -9.187 -1.769 5.832 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.905 -2.034 6.881 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -12.273 -2.930 4.517 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -11.837 -1.239 4.656 1.00 0.00 H new ATOM 786 N SER A 56 -9.921 -4.573 6.153 1.00 0.00 N ATOM 787 CA SER A 56 -9.711 -5.999 6.377 1.00 0.00 C ATOM 788 C SER A 56 -9.814 -6.336 7.861 1.00 0.00 C ATOM 789 O SER A 56 -10.263 -7.420 8.233 1.00 0.00 O ATOM 790 CB SER A 56 -8.343 -6.425 5.839 1.00 0.00 C ATOM 791 OG SER A 56 -8.361 -7.776 5.414 1.00 0.00 O ATOM 0 H SER A 56 -9.159 -4.107 5.660 1.00 0.00 H new ATOM 0 HA SER A 56 -10.489 -6.545 5.843 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.060 -5.782 5.006 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.587 -6.294 6.613 1.00 0.00 H new ATOM 0 HG SER A 56 -7.476 -8.023 5.073 1.00 0.00 H new ATOM 797 N ASN A 57 -9.394 -5.400 8.705 1.00 0.00 N ATOM 798 CA ASN A 57 -9.438 -5.597 10.150 1.00 0.00 C ATOM 799 C ASN A 57 -10.783 -5.157 10.718 1.00 0.00 C ATOM 800 O ASN A 57 -10.853 -4.586 11.807 1.00 0.00 O ATOM 801 CB ASN A 57 -8.307 -4.820 10.826 1.00 0.00 C ATOM 802 CG ASN A 57 -8.071 -5.270 12.255 1.00 0.00 C ATOM 803 OD1 ASN A 57 -7.688 -6.414 12.503 1.00 0.00 O ATOM 804 ND2 ASN A 57 -8.298 -4.369 13.204 1.00 0.00 N ATOM 0 H ASN A 57 -9.019 -4.497 8.414 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.310 -6.661 10.351 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.389 -4.946 10.252 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.545 -3.756 10.817 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.156 -4.614 14.184 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.615 -3.432 12.953 1.00 0.00 H new ATOM 811 N LYS A 58 -11.851 -5.425 9.974 1.00 0.00 N ATOM 812 CA LYS A 58 -13.195 -5.059 10.403 1.00 0.00 C ATOM 813 C LYS A 58 -13.858 -6.209 11.155 1.00 0.00 C ATOM 814 O LYS A 58 -14.525 -5.998 12.168 1.00 0.00 O ATOM 815 CB LYS A 58 -14.049 -4.666 9.195 1.00 0.00 C ATOM 816 CG LYS A 58 -13.982 -3.187 8.858 1.00 0.00 C ATOM 817 CD LYS A 58 -15.116 -2.773 7.934 1.00 0.00 C ATOM 818 CE LYS A 58 -15.075 -1.283 7.634 1.00 0.00 C ATOM 819 NZ LYS A 58 -16.382 -0.783 7.125 1.00 0.00 N ATOM 0 H LYS A 58 -11.811 -5.895 9.070 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.115 -4.206 11.077 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.725 -5.242 8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.086 -4.939 9.390 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.027 -2.601 9.776 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.026 -2.964 8.385 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.051 -3.335 7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.072 -3.027 8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.805 -0.738 8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.298 -1.082 6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.312 0.237 6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.628 -1.285 6.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.120 -0.951 7.839 1.00 0.00 H new ATOM 833 N SER A 59 -13.669 -7.425 10.653 1.00 0.00 N ATOM 834 CA SER A 59 -14.251 -8.608 11.277 1.00 0.00 C ATOM 835 C SER A 59 -13.505 -8.969 12.557 1.00 0.00 C ATOM 836 O SER A 59 -12.421 -8.453 12.824 1.00 0.00 O ATOM 837 CB SER A 59 -14.222 -9.789 10.305 1.00 0.00 C ATOM 838 OG SER A 59 -15.251 -9.679 9.337 1.00 0.00 O ATOM 0 H SER A 59 -13.118 -7.617 9.817 1.00 0.00 H new ATOM 0 HA SER A 59 -15.286 -8.382 11.532 1.00 0.00 H new ATOM 0 HB2 SER A 59 -13.253 -9.830 9.807 1.00 0.00 H new ATOM 0 HB3 SER A 59 -14.337 -10.722 10.858 1.00 0.00 H new ATOM 0 HG SER A 59 -15.210 -10.445 8.727 1.00 0.00 H new ATOM 844 N GLY A 60 -14.095 -9.862 13.347 1.00 0.00 N ATOM 845 CA GLY A 60 -13.474 -10.278 14.591 1.00 0.00 C ATOM 846 C GLY A 60 -12.227 -11.110 14.365 1.00 0.00 C ATOM 847 O GLY A 60 -11.373 -10.777 13.543 1.00 0.00 O ATOM 0 H GLY A 60 -14.992 -10.305 13.147 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.218 -9.396 15.178 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.190 -10.854 15.177 1.00 0.00 H new ATOM 851 N PRO A 61 -12.109 -12.220 15.109 1.00 0.00 N ATOM 852 CA PRO A 61 -10.959 -13.124 15.005 1.00 0.00 C ATOM 853 C PRO A 61 -10.941 -13.888 13.686 1.00 0.00 C ATOM 854 O PRO A 61 -10.051 -14.703 13.442 1.00 0.00 O ATOM 855 CB PRO A 61 -11.158 -14.087 16.178 1.00 0.00 C ATOM 856 CG PRO A 61 -12.625 -14.070 16.437 1.00 0.00 C ATOM 857 CD PRO A 61 -13.088 -12.678 16.109 1.00 0.00 C ATOM 0 HA PRO A 61 -10.012 -12.585 15.034 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.811 -15.090 15.930 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.597 -13.764 17.055 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.139 -14.807 15.820 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.841 -14.318 17.476 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -14.102 -12.675 15.709 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.091 -12.037 16.991 1.00 0.00 H new ATOM 865 N SER A 62 -11.928 -13.619 12.837 1.00 0.00 N ATOM 866 CA SER A 62 -12.026 -14.284 11.544 1.00 0.00 C ATOM 867 C SER A 62 -10.641 -14.560 10.968 1.00 0.00 C ATOM 868 O SER A 62 -9.741 -13.725 11.059 1.00 0.00 O ATOM 869 CB SER A 62 -12.836 -13.430 10.567 1.00 0.00 C ATOM 870 OG SER A 62 -14.132 -13.164 11.075 1.00 0.00 O ATOM 0 H SER A 62 -12.671 -12.945 13.022 1.00 0.00 H new ATOM 0 HA SER A 62 -12.535 -15.236 11.691 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.315 -12.491 10.382 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.916 -13.944 9.609 1.00 0.00 H new ATOM 0 HG SER A 62 -14.725 -12.906 10.339 1.00 0.00 H new ATOM 876 N SER A 63 -10.477 -15.738 10.374 1.00 0.00 N ATOM 877 CA SER A 63 -9.201 -16.127 9.786 1.00 0.00 C ATOM 878 C SER A 63 -8.633 -15.001 8.926 1.00 0.00 C ATOM 879 O SER A 63 -9.374 -14.163 8.413 1.00 0.00 O ATOM 880 CB SER A 63 -9.368 -17.393 8.944 1.00 0.00 C ATOM 881 OG SER A 63 -8.140 -18.090 8.821 1.00 0.00 O ATOM 0 H SER A 63 -11.212 -16.440 10.287 1.00 0.00 H new ATOM 0 HA SER A 63 -8.502 -16.329 10.597 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.114 -18.042 9.402 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.740 -17.129 7.954 1.00 0.00 H new ATOM 0 HG SER A 63 -8.274 -18.896 8.280 1.00 0.00 H new ATOM 887 N GLY A 64 -7.312 -14.990 8.773 1.00 0.00 N ATOM 888 CA GLY A 64 -6.667 -13.964 7.975 1.00 0.00 C ATOM 889 C GLY A 64 -5.283 -13.616 8.487 1.00 0.00 C ATOM 890 O GLY A 64 -4.370 -13.452 7.680 1.00 0.00 O ATOM 0 H GLY A 64 -6.678 -15.673 9.187 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.594 -14.304 6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.286 -13.067 7.973 1.00 0.00 H new TER 894 GLY A 64 HETATM 895 ZN ZN A 201 1.251 5.762 7.272 1.00 0.00 ZN HETATM 896 ZN ZN A 401 -9.725 -0.321 2.838 1.00 0.00 ZN