USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 437 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 36 HIS HE2 : A 36 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0642 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.526) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -26:sc= 0.0228 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.0444 X(o=-0.044,f=-0.43) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00359) USER MOD Single : A 50 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.19) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.941 -17.937 -0.926 1.00 0.00 N ATOM 2 CA GLY A 1 20.777 -17.621 0.509 1.00 0.00 C ATOM 3 C GLY A 1 20.125 -16.262 0.728 1.00 0.00 C ATOM 4 O GLY A 1 20.130 -15.410 -0.162 1.00 0.00 O ATOM 0 H1 GLY A 1 20.300 -18.714 -1.186 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.714 -17.096 -1.495 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.924 -18.223 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.171 -18.393 0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.752 -17.637 0.997 1.00 0.00 H new ATOM 10 N SER A 2 19.595 -16.045 1.936 1.00 0.00 N ATOM 11 CA SER A 2 18.896 -14.812 2.363 1.00 0.00 C ATOM 12 C SER A 2 19.424 -14.290 3.714 1.00 0.00 C ATOM 13 O SER A 2 18.700 -13.680 4.502 1.00 0.00 O ATOM 14 CB SER A 2 17.373 -15.040 2.393 1.00 0.00 C ATOM 15 OG SER A 2 16.881 -15.442 1.121 1.00 0.00 O ATOM 0 H SER A 2 19.639 -16.745 2.677 1.00 0.00 H new ATOM 0 HA SER A 2 19.107 -14.035 1.628 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.133 -15.802 3.135 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.873 -14.123 2.704 1.00 0.00 H new ATOM 0 HG SER A 2 15.912 -15.580 1.174 1.00 0.00 H new ATOM 21 N GLU A 3 20.700 -14.568 4.000 1.00 0.00 N ATOM 22 CA GLU A 3 21.457 -14.057 5.154 1.00 0.00 C ATOM 23 C GLU A 3 21.662 -12.523 5.136 1.00 0.00 C ATOM 24 O GLU A 3 21.353 -11.839 4.154 1.00 0.00 O ATOM 25 CB GLU A 3 22.805 -14.806 5.232 1.00 0.00 C ATOM 26 CG GLU A 3 23.791 -14.441 4.108 1.00 0.00 C ATOM 27 CD GLU A 3 25.001 -15.395 4.097 1.00 0.00 C ATOM 28 OE1 GLU A 3 25.916 -15.242 4.943 1.00 0.00 O1- ATOM 29 OE2 GLU A 3 25.048 -16.307 3.236 1.00 0.00 O ATOM 0 H GLU A 3 21.261 -15.182 3.409 1.00 0.00 H new ATOM 0 HA GLU A 3 20.867 -14.248 6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 3 23.272 -14.593 6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 3 22.615 -15.879 5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 3 23.282 -14.484 3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 3 24.135 -13.415 4.241 1.00 0.00 H new ATOM 36 N PHE A 4 22.250 -11.991 6.213 1.00 0.00 N ATOM 37 CA PHE A 4 22.597 -10.573 6.397 1.00 0.00 C ATOM 38 C PHE A 4 24.060 -10.413 6.866 1.00 0.00 C ATOM 39 O PHE A 4 24.779 -11.403 7.037 1.00 0.00 O ATOM 40 CB PHE A 4 21.602 -9.934 7.385 1.00 0.00 C ATOM 41 CG PHE A 4 20.137 -10.025 6.986 1.00 0.00 C ATOM 42 CD1 PHE A 4 19.682 -9.394 5.812 1.00 0.00 C ATOM 43 CD2 PHE A 4 19.221 -10.727 7.796 1.00 0.00 C ATOM 44 CE1 PHE A 4 18.325 -9.470 5.445 1.00 0.00 C ATOM 45 CE2 PHE A 4 17.864 -10.799 7.432 1.00 0.00 C ATOM 46 CZ PHE A 4 17.416 -10.172 6.256 1.00 0.00 C ATOM 0 H PHE A 4 22.510 -12.561 7.018 1.00 0.00 H new ATOM 0 HA PHE A 4 22.521 -10.054 5.442 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.726 -10.409 8.358 1.00 0.00 H new ATOM 0 HB3 PHE A 4 21.863 -8.883 7.508 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.377 -8.849 5.190 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.562 -11.211 8.699 1.00 0.00 H new ATOM 0 HE1 PHE A 4 17.982 -8.989 4.541 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.166 -11.336 8.056 1.00 0.00 H new ATOM 0 HZ PHE A 4 16.375 -10.230 5.976 1.00 0.00 H new ATOM 56 N THR A 5 24.516 -9.170 7.069 1.00 0.00 N ATOM 57 CA THR A 5 25.896 -8.833 7.495 1.00 0.00 C ATOM 58 C THR A 5 26.964 -9.375 6.520 1.00 0.00 C ATOM 59 O THR A 5 27.999 -9.916 6.919 1.00 0.00 O ATOM 60 CB THR A 5 26.158 -9.244 8.965 1.00 0.00 C ATOM 61 OG1 THR A 5 25.008 -9.056 9.773 1.00 0.00 O ATOM 62 CG2 THR A 5 27.250 -8.395 9.620 1.00 0.00 C ATOM 0 H THR A 5 23.928 -8.346 6.941 1.00 0.00 H new ATOM 0 HA THR A 5 25.986 -7.747 7.456 1.00 0.00 H new ATOM 0 HB THR A 5 26.451 -10.292 8.912 1.00 0.00 H new ATOM 0 HG1 THR A 5 25.207 -9.327 10.694 1.00 0.00 H new ATOM 0 HG21 THR A 5 27.397 -8.722 10.649 1.00 0.00 H new ATOM 0 HG22 THR A 5 28.182 -8.511 9.066 1.00 0.00 H new ATOM 0 HG23 THR A 5 26.950 -7.347 9.611 1.00 0.00 H new ATOM 70 N SER A 6 26.693 -9.255 5.215 1.00 0.00 N ATOM 71 CA SER A 6 27.484 -9.834 4.108 1.00 0.00 C ATOM 72 C SER A 6 27.853 -8.810 3.014 1.00 0.00 C ATOM 73 O SER A 6 28.282 -9.179 1.916 1.00 0.00 O ATOM 74 CB SER A 6 26.729 -11.036 3.520 1.00 0.00 C ATOM 75 OG SER A 6 25.460 -10.644 3.013 1.00 0.00 O ATOM 0 H SER A 6 25.884 -8.731 4.881 1.00 0.00 H new ATOM 0 HA SER A 6 28.436 -10.164 4.523 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.320 -11.486 2.722 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.598 -11.798 4.288 1.00 0.00 H new ATOM 0 HG SER A 6 25.000 -11.426 2.643 1.00 0.00 H new ATOM 81 N SER A 7 27.713 -7.515 3.317 1.00 0.00 N ATOM 82 CA SER A 7 27.903 -6.374 2.406 1.00 0.00 C ATOM 83 C SER A 7 29.026 -5.431 2.883 1.00 0.00 C ATOM 84 O SER A 7 29.341 -5.405 4.081 1.00 0.00 O ATOM 85 CB SER A 7 26.573 -5.611 2.287 1.00 0.00 C ATOM 86 OG SER A 7 26.082 -5.227 3.565 1.00 0.00 O ATOM 0 H SER A 7 27.450 -7.215 4.256 1.00 0.00 H new ATOM 0 HA SER A 7 28.207 -6.755 1.431 1.00 0.00 H new ATOM 0 HB2 SER A 7 26.714 -4.725 1.668 1.00 0.00 H new ATOM 0 HB3 SER A 7 25.836 -6.237 1.785 1.00 0.00 H new ATOM 0 HG SER A 7 25.237 -4.742 3.459 1.00 0.00 H new ATOM 92 N PRO A 8 29.656 -4.647 1.981 1.00 0.00 N ATOM 93 CA PRO A 8 30.718 -3.709 2.347 1.00 0.00 C ATOM 94 C PRO A 8 30.168 -2.534 3.173 1.00 0.00 C ATOM 95 O PRO A 8 29.212 -1.861 2.771 1.00 0.00 O ATOM 96 CB PRO A 8 31.339 -3.250 1.022 1.00 0.00 C ATOM 97 CG PRO A 8 30.202 -3.410 0.014 1.00 0.00 C ATOM 98 CD PRO A 8 29.440 -4.626 0.539 1.00 0.00 C ATOM 0 HA PRO A 8 31.468 -4.176 2.985 1.00 0.00 H new ATOM 0 HB2 PRO A 8 31.682 -2.217 1.077 1.00 0.00 H new ATOM 0 HB3 PRO A 8 32.202 -3.859 0.752 1.00 0.00 H new ATOM 0 HG2 PRO A 8 29.569 -2.523 -0.023 1.00 0.00 H new ATOM 0 HG3 PRO A 8 30.579 -3.576 -0.995 1.00 0.00 H new ATOM 0 HD2 PRO A 8 28.378 -4.551 0.305 1.00 0.00 H new ATOM 0 HD3 PRO A 8 29.804 -5.544 0.077 1.00 0.00 H new ATOM 106 N ARG A 9 30.786 -2.282 4.333 1.00 0.00 N ATOM 107 CA ARG A 9 30.441 -1.204 5.281 1.00 0.00 C ATOM 108 C ARG A 9 31.664 -0.825 6.133 1.00 0.00 C ATOM 109 O ARG A 9 32.659 -1.556 6.141 1.00 0.00 O ATOM 110 CB ARG A 9 29.243 -1.671 6.142 1.00 0.00 C ATOM 111 CG ARG A 9 28.333 -0.511 6.576 1.00 0.00 C ATOM 112 CD ARG A 9 27.018 -1.030 7.177 1.00 0.00 C ATOM 113 NE ARG A 9 26.045 0.066 7.367 1.00 0.00 N ATOM 114 CZ ARG A 9 25.920 0.869 8.409 1.00 0.00 C ATOM 115 NH1 ARG A 9 26.662 0.751 9.473 1.00 0.00 N1+ ATOM 116 NH2 ARG A 9 25.032 1.821 8.397 1.00 0.00 N ATOM 0 H ARG A 9 31.574 -2.844 4.655 1.00 0.00 H new ATOM 0 HA ARG A 9 30.149 -0.302 4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 9 28.656 -2.395 5.577 1.00 0.00 H new ATOM 0 HB3 ARG A 9 29.617 -2.185 7.028 1.00 0.00 H new ATOM 0 HG2 ARG A 9 28.852 0.107 7.309 1.00 0.00 H new ATOM 0 HG3 ARG A 9 28.117 0.126 5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 9 26.591 -1.789 6.522 1.00 0.00 H new ATOM 0 HD3 ARG A 9 27.218 -1.511 8.134 1.00 0.00 H new ATOM 0 HE ARG A 9 25.390 0.222 6.601 1.00 0.00 H new ATOM 0 HH11 ARG A 9 27.370 0.019 9.522 1.00 0.00 H new ATOM 0 HH12 ARG A 9 26.535 1.391 10.257 1.00 0.00 H new ATOM 0 HH21 ARG A 9 24.431 1.948 7.582 1.00 0.00 H new ATOM 0 HH22 ARG A 9 24.937 2.440 9.202 1.00 0.00 H new ATOM 130 N GLY A 10 31.606 0.308 6.837 1.00 0.00 N ATOM 131 CA GLY A 10 32.689 0.780 7.714 1.00 0.00 C ATOM 132 C GLY A 10 33.044 -0.196 8.848 1.00 0.00 C ATOM 133 O GLY A 10 32.215 -1.002 9.278 1.00 0.00 O ATOM 0 H GLY A 10 30.800 0.932 6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 10 33.579 0.960 7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.400 1.737 8.149 1.00 0.00 H new ATOM 137 N ASP A 11 34.272 -0.095 9.363 1.00 0.00 N ATOM 138 CA ASP A 11 34.812 -0.958 10.426 1.00 0.00 C ATOM 139 C ASP A 11 35.016 -0.170 11.732 1.00 0.00 C ATOM 140 O ASP A 11 35.605 0.918 11.737 1.00 0.00 O ATOM 141 CB ASP A 11 36.138 -1.589 9.970 1.00 0.00 C ATOM 142 CG ASP A 11 35.940 -2.665 8.889 1.00 0.00 C ATOM 143 OD1 ASP A 11 35.397 -3.751 9.211 1.00 0.00 O ATOM 144 OD2 ASP A 11 36.358 -2.449 7.726 1.00 0.00 O1- ATOM 0 H ASP A 11 34.940 0.608 9.046 1.00 0.00 H new ATOM 0 HA ASP A 11 34.089 -1.750 10.622 1.00 0.00 H new ATOM 0 HB2 ASP A 11 36.794 -0.808 9.585 1.00 0.00 H new ATOM 0 HB3 ASP A 11 36.640 -2.032 10.830 1.00 0.00 H new ATOM 149 N LYS A 12 34.528 -0.731 12.845 1.00 0.00 N ATOM 150 CA LYS A 12 34.615 -0.178 14.211 1.00 0.00 C ATOM 151 C LYS A 12 34.551 -1.313 15.250 1.00 0.00 C ATOM 152 O LYS A 12 34.172 -2.438 14.918 1.00 0.00 O ATOM 153 CB LYS A 12 33.467 0.844 14.409 1.00 0.00 C ATOM 154 CG LYS A 12 33.802 1.948 15.429 1.00 0.00 C ATOM 155 CD LYS A 12 32.600 2.796 15.885 1.00 0.00 C ATOM 156 CE LYS A 12 32.058 3.797 14.851 1.00 0.00 C ATOM 157 NZ LYS A 12 31.171 3.172 13.833 1.00 0.00 N1+ ATOM 0 H LYS A 12 34.038 -1.625 12.821 1.00 0.00 H new ATOM 0 HA LYS A 12 35.567 0.334 14.350 1.00 0.00 H new ATOM 0 HB2 LYS A 12 33.231 1.305 13.450 1.00 0.00 H new ATOM 0 HB3 LYS A 12 32.572 0.315 14.737 1.00 0.00 H new ATOM 0 HG2 LYS A 12 34.256 1.487 16.306 1.00 0.00 H new ATOM 0 HG3 LYS A 12 34.551 2.610 14.993 1.00 0.00 H new ATOM 0 HD2 LYS A 12 31.791 2.123 16.170 1.00 0.00 H new ATOM 0 HD3 LYS A 12 32.887 3.347 16.781 1.00 0.00 H new ATOM 0 HE2 LYS A 12 31.507 4.582 15.370 1.00 0.00 H new ATOM 0 HE3 LYS A 12 32.897 4.277 14.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 30.479 3.873 13.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 31.743 2.840 13.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 30.670 2.366 14.257 1.00 0.00 H new ATOM 171 N ALA A 13 34.857 -1.006 16.511 1.00 0.00 N ATOM 172 CA ALA A 13 34.843 -1.940 17.647 1.00 0.00 C ATOM 173 C ALA A 13 33.938 -1.462 18.813 1.00 0.00 C ATOM 174 O ALA A 13 34.115 -1.882 19.959 1.00 0.00 O ATOM 175 CB ALA A 13 36.301 -2.187 18.064 1.00 0.00 C ATOM 0 H ALA A 13 35.133 -0.063 16.784 1.00 0.00 H new ATOM 0 HA ALA A 13 34.390 -2.884 17.345 1.00 0.00 H new ATOM 0 HB1 ALA A 13 36.326 -2.878 18.907 1.00 0.00 H new ATOM 0 HB2 ALA A 13 36.851 -2.616 17.227 1.00 0.00 H new ATOM 0 HB3 ALA A 13 36.761 -1.243 18.355 1.00 0.00 H new ATOM 181 N ALA A 14 32.972 -0.579 18.519 1.00 0.00 N ATOM 182 CA ALA A 14 32.041 0.030 19.483 1.00 0.00 C ATOM 183 C ALA A 14 30.566 0.028 19.006 1.00 0.00 C ATOM 184 O ALA A 14 29.710 0.698 19.587 1.00 0.00 O ATOM 185 CB ALA A 14 32.549 1.446 19.796 1.00 0.00 C ATOM 0 H ALA A 14 32.811 -0.256 17.565 1.00 0.00 H new ATOM 0 HA ALA A 14 32.027 -0.575 20.390 1.00 0.00 H new ATOM 0 HB1 ALA A 14 31.878 1.924 20.510 1.00 0.00 H new ATOM 0 HB2 ALA A 14 33.550 1.387 20.223 1.00 0.00 H new ATOM 0 HB3 ALA A 14 32.580 2.033 18.878 1.00 0.00 H new ATOM 191 N TYR A 15 30.244 -0.720 17.943 1.00 0.00 N ATOM 192 CA TYR A 15 28.882 -0.828 17.394 1.00 0.00 C ATOM 193 C TYR A 15 27.886 -1.566 18.318 1.00 0.00 C ATOM 194 O TYR A 15 26.686 -1.589 18.041 1.00 0.00 O ATOM 195 CB TYR A 15 28.943 -1.465 15.994 1.00 0.00 C ATOM 196 CG TYR A 15 29.407 -2.913 15.945 1.00 0.00 C ATOM 197 CD1 TYR A 15 28.469 -3.958 16.063 1.00 0.00 C ATOM 198 CD2 TYR A 15 30.770 -3.216 15.744 1.00 0.00 C ATOM 199 CE1 TYR A 15 28.890 -5.300 15.989 1.00 0.00 C ATOM 200 CE2 TYR A 15 31.195 -4.557 15.674 1.00 0.00 C ATOM 201 CZ TYR A 15 30.255 -5.605 15.795 1.00 0.00 C ATOM 202 OH TYR A 15 30.651 -6.906 15.716 1.00 0.00 O ATOM 0 H TYR A 15 30.930 -1.275 17.432 1.00 0.00 H new ATOM 0 HA TYR A 15 28.485 0.184 17.319 1.00 0.00 H new ATOM 0 HB2 TYR A 15 27.952 -1.406 15.545 1.00 0.00 H new ATOM 0 HB3 TYR A 15 29.611 -0.868 15.373 1.00 0.00 H new ATOM 0 HD1 TYR A 15 27.424 -3.729 16.211 1.00 0.00 H new ATOM 0 HD2 TYR A 15 31.490 -2.417 15.643 1.00 0.00 H new ATOM 0 HE1 TYR A 15 28.167 -6.097 16.081 1.00 0.00 H new ATOM 0 HE2 TYR A 15 32.241 -4.785 15.528 1.00 0.00 H new ATOM 0 HH TYR A 15 31.621 -6.945 15.580 1.00 0.00 H new ATOM 212 N ASP A 16 28.362 -2.160 19.418 1.00 0.00 N ATOM 213 CA ASP A 16 27.563 -2.850 20.437 1.00 0.00 C ATOM 214 C ASP A 16 27.004 -1.919 21.534 1.00 0.00 C ATOM 215 O ASP A 16 25.923 -2.191 22.063 1.00 0.00 O ATOM 216 CB ASP A 16 28.422 -3.956 21.074 1.00 0.00 C ATOM 217 CG ASP A 16 29.586 -3.409 21.922 1.00 0.00 C ATOM 218 OD1 ASP A 16 30.420 -2.643 21.381 1.00 0.00 O1- ATOM 219 OD2 ASP A 16 29.664 -3.743 23.129 1.00 0.00 O ATOM 0 H ASP A 16 29.359 -2.173 19.632 1.00 0.00 H new ATOM 0 HA ASP A 16 26.692 -3.267 19.931 1.00 0.00 H new ATOM 0 HB2 ASP A 16 27.788 -4.583 21.701 1.00 0.00 H new ATOM 0 HB3 ASP A 16 28.823 -4.594 20.287 1.00 0.00 H new ATOM 224 N ILE A 17 27.703 -0.824 21.876 1.00 0.00 N ATOM 225 CA ILE A 17 27.212 0.188 22.832 1.00 0.00 C ATOM 226 C ILE A 17 26.269 1.184 22.148 1.00 0.00 C ATOM 227 O ILE A 17 25.213 1.500 22.700 1.00 0.00 O ATOM 228 CB ILE A 17 28.376 0.870 23.600 1.00 0.00 C ATOM 229 CG1 ILE A 17 27.893 1.902 24.651 1.00 0.00 C ATOM 230 CG2 ILE A 17 29.488 1.446 22.708 1.00 0.00 C ATOM 231 CD1 ILE A 17 27.680 3.354 24.182 1.00 0.00 C ATOM 0 H ILE A 17 28.627 -0.613 21.498 1.00 0.00 H new ATOM 0 HA ILE A 17 26.620 -0.323 23.591 1.00 0.00 H new ATOM 0 HB ILE A 17 28.839 0.047 24.144 1.00 0.00 H new ATOM 0 HG12 ILE A 17 26.952 1.542 25.067 1.00 0.00 H new ATOM 0 HG13 ILE A 17 28.617 1.915 25.466 1.00 0.00 H new ATOM 0 HG21 ILE A 17 30.256 1.902 23.333 1.00 0.00 H new ATOM 0 HG22 ILE A 17 29.930 0.645 22.115 1.00 0.00 H new ATOM 0 HG23 ILE A 17 29.067 2.200 22.043 1.00 0.00 H new ATOM 0 HD11 ILE A 17 27.343 3.962 25.022 1.00 0.00 H new ATOM 0 HD12 ILE A 17 28.619 3.754 23.799 1.00 0.00 H new ATOM 0 HD13 ILE A 17 26.928 3.375 23.394 1.00 0.00 H new ATOM 243 N LEU A 18 26.605 1.632 20.932 1.00 0.00 N ATOM 244 CA LEU A 18 25.733 2.481 20.115 1.00 0.00 C ATOM 245 C LEU A 18 24.416 1.762 19.757 1.00 0.00 C ATOM 246 O LEU A 18 24.369 0.533 19.639 1.00 0.00 O ATOM 247 CB LEU A 18 26.471 2.914 18.830 1.00 0.00 C ATOM 248 CG LEU A 18 27.775 3.710 19.034 1.00 0.00 C ATOM 249 CD1 LEU A 18 28.373 4.072 17.674 1.00 0.00 C ATOM 250 CD2 LEU A 18 27.560 5.002 19.822 1.00 0.00 C ATOM 0 H LEU A 18 27.496 1.413 20.486 1.00 0.00 H new ATOM 0 HA LEU A 18 25.480 3.365 20.701 1.00 0.00 H new ATOM 0 HB2 LEU A 18 26.701 2.021 18.249 1.00 0.00 H new ATOM 0 HB3 LEU A 18 25.790 3.518 18.230 1.00 0.00 H new ATOM 0 HG LEU A 18 28.448 3.071 19.606 1.00 0.00 H new ATOM 0 HD11 LEU A 18 29.295 4.635 17.820 1.00 0.00 H new ATOM 0 HD12 LEU A 18 28.589 3.160 17.117 1.00 0.00 H new ATOM 0 HD13 LEU A 18 27.662 4.679 17.114 1.00 0.00 H new ATOM 0 HD21 LEU A 18 28.511 5.522 19.936 1.00 0.00 H new ATOM 0 HD22 LEU A 18 26.859 5.642 19.287 1.00 0.00 H new ATOM 0 HD23 LEU A 18 27.156 4.765 20.806 1.00 0.00 H new ATOM 262 N ARG A 19 23.361 2.543 19.503 1.00 0.00 N ATOM 263 CA ARG A 19 22.050 2.079 19.018 1.00 0.00 C ATOM 264 C ARG A 19 21.660 2.854 17.759 1.00 0.00 C ATOM 265 O ARG A 19 21.931 4.053 17.670 1.00 0.00 O ATOM 266 CB ARG A 19 21.011 2.264 20.142 1.00 0.00 C ATOM 267 CG ARG A 19 19.621 1.659 19.856 1.00 0.00 C ATOM 268 CD ARG A 19 19.602 0.124 19.787 1.00 0.00 C ATOM 269 NE ARG A 19 19.960 -0.485 21.084 1.00 0.00 N ATOM 270 CZ ARG A 19 20.224 -1.759 21.319 1.00 0.00 C ATOM 271 NH1 ARG A 19 20.171 -2.666 20.385 1.00 0.00 N1+ ATOM 272 NH2 ARG A 19 20.547 -2.150 22.519 1.00 0.00 N ATOM 0 H ARG A 19 23.394 3.554 19.633 1.00 0.00 H new ATOM 0 HA ARG A 19 22.094 1.022 18.754 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.404 1.817 21.055 1.00 0.00 H new ATOM 0 HB3 ARG A 19 20.893 3.330 20.334 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.929 1.985 20.633 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.251 2.058 18.912 1.00 0.00 H new ATOM 0 HD2 ARG A 19 18.610 -0.215 19.487 1.00 0.00 H new ATOM 0 HD3 ARG A 19 20.300 -0.215 19.021 1.00 0.00 H new ATOM 0 HE ARG A 19 20.009 0.145 21.885 1.00 0.00 H new ATOM 0 HH11 ARG A 19 19.919 -2.403 19.432 1.00 0.00 H new ATOM 0 HH12 ARG A 19 20.382 -3.639 20.607 1.00 0.00 H new ATOM 0 HH21 ARG A 19 20.597 -1.473 23.280 1.00 0.00 H new ATOM 0 HH22 ARG A 19 20.750 -3.133 22.698 1.00 0.00 H new ATOM 286 N ARG A 20 21.004 2.175 16.813 1.00 0.00 N ATOM 287 CA ARG A 20 20.556 2.718 15.518 1.00 0.00 C ATOM 288 C ARG A 20 19.053 2.519 15.307 1.00 0.00 C ATOM 289 O ARG A 20 18.462 1.598 15.876 1.00 0.00 O ATOM 290 CB ARG A 20 21.403 2.124 14.372 1.00 0.00 C ATOM 291 CG ARG A 20 21.276 0.602 14.177 1.00 0.00 C ATOM 292 CD ARG A 20 22.229 0.120 13.073 1.00 0.00 C ATOM 293 NE ARG A 20 22.261 -1.355 12.985 1.00 0.00 N ATOM 294 CZ ARG A 20 23.009 -2.084 12.173 1.00 0.00 C ATOM 295 NH1 ARG A 20 23.792 -1.547 11.279 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 22.989 -3.384 12.248 1.00 0.00 N ATOM 0 H ARG A 20 20.759 1.192 16.929 1.00 0.00 H new ATOM 0 HA ARG A 20 20.714 3.796 15.520 1.00 0.00 H new ATOM 0 HB2 ARG A 20 21.121 2.617 13.442 1.00 0.00 H new ATOM 0 HB3 ARG A 20 22.450 2.364 14.555 1.00 0.00 H new ATOM 0 HG2 ARG A 20 21.504 0.089 15.112 1.00 0.00 H new ATOM 0 HG3 ARG A 20 20.249 0.347 13.916 1.00 0.00 H new ATOM 0 HD2 ARG A 20 21.916 0.535 12.115 1.00 0.00 H new ATOM 0 HD3 ARG A 20 23.233 0.495 13.270 1.00 0.00 H new ATOM 0 HE ARG A 20 21.642 -1.864 13.616 1.00 0.00 H new ATOM 0 HH11 ARG A 20 23.842 -0.532 11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 20 24.354 -2.142 10.670 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.394 -3.846 12.936 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.568 -3.940 11.619 1.00 0.00 H new ATOM 310 N CYS A 21 18.456 3.373 14.477 1.00 0.00 N ATOM 311 CA CYS A 21 17.017 3.424 14.218 1.00 0.00 C ATOM 312 C CYS A 21 16.723 3.023 12.763 1.00 0.00 C ATOM 313 O CYS A 21 17.160 3.686 11.818 1.00 0.00 O ATOM 314 CB CYS A 21 16.529 4.834 14.576 1.00 0.00 C ATOM 315 SG CYS A 21 14.729 4.940 14.372 1.00 0.00 S ATOM 0 H CYS A 21 18.978 4.072 13.948 1.00 0.00 H new ATOM 0 HA CYS A 21 16.472 2.708 14.834 1.00 0.00 H new ATOM 0 HB2 CYS A 21 16.801 5.071 15.604 1.00 0.00 H new ATOM 0 HB3 CYS A 21 17.019 5.570 13.939 1.00 0.00 H new ATOM 320 N SER A 22 15.984 1.922 12.589 1.00 0.00 N ATOM 321 CA SER A 22 15.669 1.299 11.290 1.00 0.00 C ATOM 322 C SER A 22 14.884 2.208 10.319 1.00 0.00 C ATOM 323 O SER A 22 14.831 1.935 9.117 1.00 0.00 O ATOM 324 CB SER A 22 14.911 -0.014 11.546 1.00 0.00 C ATOM 325 OG SER A 22 14.886 -0.857 10.404 1.00 0.00 O ATOM 0 H SER A 22 15.572 1.419 13.375 1.00 0.00 H new ATOM 0 HA SER A 22 16.617 1.110 10.786 1.00 0.00 H new ATOM 0 HB2 SER A 22 15.379 -0.544 12.375 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.889 0.213 11.849 1.00 0.00 H new ATOM 0 HG SER A 22 14.971 -0.313 9.594 1.00 0.00 H new ATOM 331 N GLN A 23 14.316 3.318 10.812 1.00 0.00 N ATOM 332 CA GLN A 23 13.553 4.300 10.025 1.00 0.00 C ATOM 333 C GLN A 23 14.208 5.698 9.957 1.00 0.00 C ATOM 334 O GLN A 23 13.694 6.562 9.238 1.00 0.00 O ATOM 335 CB GLN A 23 12.111 4.379 10.562 1.00 0.00 C ATOM 336 CG GLN A 23 11.329 3.072 10.349 1.00 0.00 C ATOM 337 CD GLN A 23 9.857 3.229 10.729 1.00 0.00 C ATOM 338 OE1 GLN A 23 9.026 3.672 9.946 1.00 0.00 O ATOM 339 NE2 GLN A 23 9.468 2.876 11.938 1.00 0.00 N ATOM 0 H GLN A 23 14.376 3.566 11.800 1.00 0.00 H new ATOM 0 HA GLN A 23 13.545 3.945 8.994 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.136 4.614 11.626 1.00 0.00 H new ATOM 0 HB3 GLN A 23 11.587 5.197 10.067 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.405 2.768 9.305 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.777 2.278 10.946 1.00 0.00 H new ATOM 0 HE21 GLN A 23 10.146 2.505 12.604 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.489 2.974 12.208 1.00 0.00 H new ATOM 348 N CYS A 24 15.352 5.914 10.630 1.00 0.00 N ATOM 349 CA CYS A 24 16.024 7.221 10.723 1.00 0.00 C ATOM 350 C CYS A 24 17.525 7.188 10.336 1.00 0.00 C ATOM 351 O CYS A 24 18.066 8.201 9.890 1.00 0.00 O ATOM 352 CB CYS A 24 15.864 7.788 12.147 1.00 0.00 C ATOM 353 SG CYS A 24 14.157 7.722 12.783 1.00 0.00 S ATOM 0 H CYS A 24 15.843 5.174 11.132 1.00 0.00 H new ATOM 0 HA CYS A 24 15.537 7.867 9.993 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.515 7.233 12.823 1.00 0.00 H new ATOM 0 HB3 CYS A 24 16.204 8.824 12.155 1.00 0.00 H new ATOM 358 N GLY A 25 18.206 6.047 10.503 1.00 0.00 N ATOM 359 CA GLY A 25 19.609 5.828 10.112 1.00 0.00 C ATOM 360 C GLY A 25 20.682 6.501 10.990 1.00 0.00 C ATOM 361 O GLY A 25 21.874 6.298 10.752 1.00 0.00 O ATOM 0 H GLY A 25 17.783 5.222 10.928 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.798 4.754 10.106 1.00 0.00 H new ATOM 0 HA3 GLY A 25 19.736 6.180 9.088 1.00 0.00 H new ATOM 365 N ILE A 26 20.290 7.289 11.997 1.00 0.00 N ATOM 366 CA ILE A 26 21.182 7.924 12.986 1.00 0.00 C ATOM 367 C ILE A 26 21.653 6.918 14.058 1.00 0.00 C ATOM 368 O ILE A 26 20.981 5.916 14.313 1.00 0.00 O ATOM 369 CB ILE A 26 20.477 9.169 13.583 1.00 0.00 C ATOM 370 CG1 ILE A 26 21.432 10.014 14.458 1.00 0.00 C ATOM 371 CG2 ILE A 26 19.189 8.805 14.347 1.00 0.00 C ATOM 372 CD1 ILE A 26 20.904 11.415 14.793 1.00 0.00 C ATOM 0 H ILE A 26 19.308 7.513 12.156 1.00 0.00 H new ATOM 0 HA ILE A 26 22.093 8.261 12.492 1.00 0.00 H new ATOM 0 HB ILE A 26 20.181 9.787 12.735 1.00 0.00 H new ATOM 0 HG12 ILE A 26 21.624 9.479 15.388 1.00 0.00 H new ATOM 0 HG13 ILE A 26 22.388 10.112 13.943 1.00 0.00 H new ATOM 0 HG21 ILE A 26 18.734 9.712 14.745 1.00 0.00 H new ATOM 0 HG22 ILE A 26 18.490 8.315 13.669 1.00 0.00 H new ATOM 0 HG23 ILE A 26 19.431 8.130 15.168 1.00 0.00 H new ATOM 0 HD11 ILE A 26 21.633 11.941 15.409 1.00 0.00 H new ATOM 0 HD12 ILE A 26 20.739 11.972 13.871 1.00 0.00 H new ATOM 0 HD13 ILE A 26 19.964 11.329 15.338 1.00 0.00 H new ATOM 384 N LEU A 27 22.798 7.194 14.699 1.00 0.00 N ATOM 385 CA LEU A 27 23.382 6.395 15.786 1.00 0.00 C ATOM 386 C LEU A 27 23.575 7.253 17.048 1.00 0.00 C ATOM 387 O LEU A 27 24.169 8.331 16.974 1.00 0.00 O ATOM 388 CB LEU A 27 24.741 5.788 15.370 1.00 0.00 C ATOM 389 CG LEU A 27 24.681 4.634 14.353 1.00 0.00 C ATOM 390 CD1 LEU A 27 24.573 5.101 12.899 1.00 0.00 C ATOM 391 CD2 LEU A 27 25.948 3.781 14.456 1.00 0.00 C ATOM 0 H LEU A 27 23.364 8.010 14.466 1.00 0.00 H new ATOM 0 HA LEU A 27 22.686 5.584 16.001 1.00 0.00 H new ATOM 0 HB2 LEU A 27 25.359 6.583 14.952 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.246 5.430 16.267 1.00 0.00 H new ATOM 0 HG LEU A 27 23.781 4.072 14.604 1.00 0.00 H new ATOM 0 HD11 LEU A 27 24.535 4.234 12.240 1.00 0.00 H new ATOM 0 HD12 LEU A 27 23.666 5.692 12.773 1.00 0.00 H new ATOM 0 HD13 LEU A 27 25.441 5.711 12.647 1.00 0.00 H new ATOM 0 HD21 LEU A 27 25.898 2.967 13.733 1.00 0.00 H new ATOM 0 HD22 LEU A 27 26.821 4.399 14.246 1.00 0.00 H new ATOM 0 HD23 LEU A 27 26.028 3.369 15.462 1.00 0.00 H new ATOM 403 N LEU A 28 23.116 6.755 18.202 1.00 0.00 N ATOM 404 CA LEU A 28 23.188 7.425 19.513 1.00 0.00 C ATOM 405 C LEU A 28 23.843 6.497 20.565 1.00 0.00 C ATOM 406 O LEU A 28 23.698 5.276 20.455 1.00 0.00 O ATOM 407 CB LEU A 28 21.773 7.822 20.004 1.00 0.00 C ATOM 408 CG LEU A 28 20.923 8.837 19.210 1.00 0.00 C ATOM 409 CD1 LEU A 28 21.703 10.071 18.764 1.00 0.00 C ATOM 410 CD2 LEU A 28 20.206 8.223 18.008 1.00 0.00 C ATOM 0 H LEU A 28 22.667 5.841 18.254 1.00 0.00 H new ATOM 0 HA LEU A 28 23.794 8.323 19.393 1.00 0.00 H new ATOM 0 HB2 LEU A 28 21.190 6.904 20.080 1.00 0.00 H new ATOM 0 HB3 LEU A 28 21.882 8.215 21.015 1.00 0.00 H new ATOM 0 HG LEU A 28 20.168 9.156 19.929 1.00 0.00 H new ATOM 0 HD11 LEU A 28 21.042 10.739 18.212 1.00 0.00 H new ATOM 0 HD12 LEU A 28 22.095 10.589 19.639 1.00 0.00 H new ATOM 0 HD13 LEU A 28 22.530 9.767 18.122 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.628 8.993 17.497 1.00 0.00 H new ATOM 0 HD22 LEU A 28 20.941 7.805 17.320 1.00 0.00 H new ATOM 0 HD23 LEU A 28 19.537 7.433 18.348 1.00 0.00 H new ATOM 422 N PRO A 29 24.531 7.035 21.597 1.00 0.00 N ATOM 423 CA PRO A 29 25.184 6.225 22.630 1.00 0.00 C ATOM 424 C PRO A 29 24.194 5.600 23.632 1.00 0.00 C ATOM 425 O PRO A 29 24.032 4.381 23.647 1.00 0.00 O ATOM 426 CB PRO A 29 26.204 7.161 23.295 1.00 0.00 C ATOM 427 CG PRO A 29 25.622 8.559 23.083 1.00 0.00 C ATOM 428 CD PRO A 29 24.890 8.441 21.747 1.00 0.00 C ATOM 0 HA PRO A 29 25.672 5.354 22.194 1.00 0.00 H new ATOM 0 HB2 PRO A 29 26.321 6.935 24.355 1.00 0.00 H new ATOM 0 HB3 PRO A 29 27.189 7.066 22.838 1.00 0.00 H new ATOM 0 HG2 PRO A 29 24.944 8.838 23.889 1.00 0.00 H new ATOM 0 HG3 PRO A 29 26.403 9.318 23.047 1.00 0.00 H new ATOM 0 HD2 PRO A 29 24.001 9.072 21.734 1.00 0.00 H new ATOM 0 HD3 PRO A 29 25.526 8.769 20.925 1.00 0.00 H new ATOM 436 N LEU A 30 23.526 6.418 24.459 1.00 0.00 N ATOM 437 CA LEU A 30 22.568 5.991 25.497 1.00 0.00 C ATOM 438 C LEU A 30 21.728 7.171 26.047 1.00 0.00 C ATOM 439 O LEU A 30 20.504 7.109 25.928 1.00 0.00 O ATOM 440 CB LEU A 30 23.321 5.212 26.607 1.00 0.00 C ATOM 441 CG LEU A 30 22.531 4.927 27.900 1.00 0.00 C ATOM 442 CD1 LEU A 30 21.280 4.080 27.658 1.00 0.00 C ATOM 443 CD2 LEU A 30 23.428 4.179 28.887 1.00 0.00 C ATOM 0 H LEU A 30 23.640 7.431 24.425 1.00 0.00 H new ATOM 0 HA LEU A 30 21.840 5.317 25.046 1.00 0.00 H new ATOM 0 HB2 LEU A 30 23.652 4.260 26.192 1.00 0.00 H new ATOM 0 HB3 LEU A 30 24.217 5.774 26.871 1.00 0.00 H new ATOM 0 HG LEU A 30 22.214 5.892 28.295 1.00 0.00 H new ATOM 0 HD11 LEU A 30 20.765 3.912 28.604 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.614 4.602 26.971 1.00 0.00 H new ATOM 0 HD13 LEU A 30 21.568 3.121 27.227 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.872 3.976 29.802 1.00 0.00 H new ATOM 0 HD22 LEU A 30 23.752 3.238 28.443 1.00 0.00 H new ATOM 0 HD23 LEU A 30 24.301 4.789 29.120 1.00 0.00 H new ATOM 455 N PRO A 31 22.303 8.265 26.597 1.00 0.00 N ATOM 456 CA PRO A 31 21.491 9.368 27.124 1.00 0.00 C ATOM 457 C PRO A 31 20.816 10.214 26.028 1.00 0.00 C ATOM 458 O PRO A 31 19.662 10.613 26.194 1.00 0.00 O ATOM 459 CB PRO A 31 22.429 10.191 28.014 1.00 0.00 C ATOM 460 CG PRO A 31 23.826 9.876 27.485 1.00 0.00 C ATOM 461 CD PRO A 31 23.700 8.442 26.977 1.00 0.00 C ATOM 0 HA PRO A 31 20.647 8.979 27.693 1.00 0.00 H new ATOM 0 HB2 PRO A 31 22.209 11.256 27.945 1.00 0.00 H new ATOM 0 HB3 PRO A 31 22.329 9.912 29.063 1.00 0.00 H new ATOM 0 HG2 PRO A 31 24.117 10.560 26.688 1.00 0.00 H new ATOM 0 HG3 PRO A 31 24.580 9.960 28.268 1.00 0.00 H new ATOM 0 HD2 PRO A 31 24.359 8.271 26.126 1.00 0.00 H new ATOM 0 HD3 PRO A 31 23.986 7.729 27.750 1.00 0.00 H new ATOM 469 N ILE A 32 21.480 10.442 24.885 1.00 0.00 N ATOM 470 CA ILE A 32 20.892 11.152 23.726 1.00 0.00 C ATOM 471 C ILE A 32 19.841 10.287 22.999 1.00 0.00 C ATOM 472 O ILE A 32 18.895 10.822 22.418 1.00 0.00 O ATOM 473 CB ILE A 32 21.993 11.675 22.764 1.00 0.00 C ATOM 474 CG1 ILE A 32 23.003 12.600 23.493 1.00 0.00 C ATOM 475 CG2 ILE A 32 21.387 12.478 21.596 1.00 0.00 C ATOM 476 CD1 ILE A 32 24.311 11.893 23.864 1.00 0.00 C ATOM 0 H ILE A 32 22.442 10.141 24.732 1.00 0.00 H new ATOM 0 HA ILE A 32 20.364 12.025 24.109 1.00 0.00 H new ATOM 0 HB ILE A 32 22.505 10.789 22.388 1.00 0.00 H new ATOM 0 HG12 ILE A 32 23.228 13.455 22.856 1.00 0.00 H new ATOM 0 HG13 ILE A 32 22.539 12.991 24.399 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.186 12.829 20.943 1.00 0.00 H new ATOM 0 HG22 ILE A 32 20.708 11.840 21.029 1.00 0.00 H new ATOM 0 HG23 ILE A 32 20.838 13.333 21.989 1.00 0.00 H new ATOM 0 HD11 ILE A 32 24.973 12.595 24.371 1.00 0.00 H new ATOM 0 HD12 ILE A 32 24.096 11.054 24.526 1.00 0.00 H new ATOM 0 HD13 ILE A 32 24.795 11.526 22.959 1.00 0.00 H new ATOM 488 N LEU A 33 19.937 8.951 23.088 1.00 0.00 N ATOM 489 CA LEU A 33 18.933 8.024 22.541 1.00 0.00 C ATOM 490 C LEU A 33 17.525 8.297 23.094 1.00 0.00 C ATOM 491 O LEU A 33 16.556 8.118 22.362 1.00 0.00 O ATOM 492 CB LEU A 33 19.369 6.569 22.805 1.00 0.00 C ATOM 493 CG LEU A 33 18.450 5.489 22.201 1.00 0.00 C ATOM 494 CD1 LEU A 33 18.476 5.475 20.671 1.00 0.00 C ATOM 495 CD2 LEU A 33 18.869 4.113 22.713 1.00 0.00 C ATOM 0 H LEU A 33 20.718 8.480 23.544 1.00 0.00 H new ATOM 0 HA LEU A 33 18.875 8.187 21.465 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.375 6.430 22.409 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.426 6.414 23.882 1.00 0.00 H new ATOM 0 HG LEU A 33 17.434 5.729 22.513 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.810 4.694 20.303 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.145 6.442 20.293 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.491 5.278 20.326 1.00 0.00 H new ATOM 0 HD21 LEU A 33 18.218 3.351 22.284 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.900 3.915 22.421 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.789 4.089 23.800 1.00 0.00 H new ATOM 507 N ASN A 34 17.393 8.784 24.334 1.00 0.00 N ATOM 508 CA ASN A 34 16.099 9.157 24.918 1.00 0.00 C ATOM 509 C ASN A 34 15.347 10.200 24.067 1.00 0.00 C ATOM 510 O ASN A 34 14.152 10.040 23.815 1.00 0.00 O ATOM 511 CB ASN A 34 16.311 9.678 26.352 1.00 0.00 C ATOM 512 CG ASN A 34 16.821 8.619 27.318 1.00 0.00 C ATOM 513 OD1 ASN A 34 16.368 7.483 27.341 1.00 0.00 O ATOM 514 ND2 ASN A 34 17.769 8.961 28.161 1.00 0.00 N ATOM 0 H ASN A 34 18.183 8.931 24.962 1.00 0.00 H new ATOM 0 HA ASN A 34 15.475 8.264 24.940 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.019 10.506 26.327 1.00 0.00 H new ATOM 0 HB3 ASN A 34 15.368 10.076 26.728 1.00 0.00 H new ATOM 0 HD21 ASN A 34 18.125 8.280 28.832 1.00 0.00 H new ATOM 0 HD22 ASN A 34 18.149 9.907 28.145 1.00 0.00 H new ATOM 521 N GLN A 35 16.044 11.231 23.571 1.00 0.00 N ATOM 522 CA GLN A 35 15.454 12.243 22.686 1.00 0.00 C ATOM 523 C GLN A 35 14.986 11.629 21.357 1.00 0.00 C ATOM 524 O GLN A 35 13.885 11.943 20.895 1.00 0.00 O ATOM 525 CB GLN A 35 16.461 13.384 22.455 1.00 0.00 C ATOM 526 CG GLN A 35 15.841 14.553 21.669 1.00 0.00 C ATOM 527 CD GLN A 35 16.831 15.701 21.483 1.00 0.00 C ATOM 528 OE1 GLN A 35 17.648 15.715 20.571 1.00 0.00 O ATOM 529 NE2 GLN A 35 16.800 16.712 22.329 1.00 0.00 N ATOM 0 H GLN A 35 17.032 11.386 23.772 1.00 0.00 H new ATOM 0 HA GLN A 35 14.568 12.653 23.172 1.00 0.00 H new ATOM 0 HB2 GLN A 35 16.824 13.747 23.417 1.00 0.00 H new ATOM 0 HB3 GLN A 35 17.325 13.000 21.912 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.508 14.199 20.693 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.958 14.916 22.195 1.00 0.00 H new ATOM 0 HE21 GLN A 35 16.126 16.716 23.094 1.00 0.00 H new ATOM 0 HE22 GLN A 35 17.450 17.490 22.218 1.00 0.00 H new ATOM 538 N HIS A 36 15.776 10.719 20.768 1.00 0.00 N ATOM 539 CA HIS A 36 15.349 9.992 19.571 1.00 0.00 C ATOM 540 C HIS A 36 14.117 9.129 19.855 1.00 0.00 C ATOM 541 O HIS A 36 13.137 9.230 19.128 1.00 0.00 O ATOM 542 CB HIS A 36 16.478 9.136 18.974 1.00 0.00 C ATOM 543 CG HIS A 36 16.142 8.725 17.557 1.00 0.00 C ATOM 544 ND1 HIS A 36 16.401 9.480 16.442 1.00 0.00 N ATOM 545 CD2 HIS A 36 15.394 7.650 17.145 1.00 0.00 C ATOM 546 CE1 HIS A 36 15.826 8.888 15.386 1.00 0.00 C ATOM 547 NE2 HIS A 36 15.178 7.759 15.753 1.00 0.00 N ATOM 0 H HIS A 36 16.708 10.472 21.101 1.00 0.00 H new ATOM 0 HA HIS A 36 15.082 10.745 18.829 1.00 0.00 H new ATOM 0 HB2 HIS A 36 17.412 9.698 18.984 1.00 0.00 H new ATOM 0 HB3 HIS A 36 16.633 8.249 19.589 1.00 0.00 H new ATOM 0 HD1 HIS A 36 16.940 10.346 16.420 1.00 0.00 H new ATOM 0 HD2 HIS A 36 15.031 6.854 17.779 1.00 0.00 H new ATOM 0 HE1 HIS A 36 15.874 9.263 14.374 1.00 0.00 H new ATOM 555 N GLN A 37 14.129 8.330 20.926 1.00 0.00 N ATOM 556 CA GLN A 37 13.016 7.456 21.308 1.00 0.00 C ATOM 557 C GLN A 37 11.699 8.228 21.445 1.00 0.00 C ATOM 558 O GLN A 37 10.695 7.796 20.885 1.00 0.00 O ATOM 559 CB GLN A 37 13.347 6.706 22.611 1.00 0.00 C ATOM 560 CG GLN A 37 14.378 5.580 22.413 1.00 0.00 C ATOM 561 CD GLN A 37 13.852 4.369 21.637 1.00 0.00 C ATOM 562 OE1 GLN A 37 12.668 4.065 21.594 1.00 0.00 O ATOM 563 NE2 GLN A 37 14.721 3.622 20.986 1.00 0.00 N ATOM 0 H GLN A 37 14.925 8.271 21.562 1.00 0.00 H new ATOM 0 HA GLN A 37 12.880 6.729 20.507 1.00 0.00 H new ATOM 0 HB2 GLN A 37 13.729 7.416 23.345 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.431 6.283 23.023 1.00 0.00 H new ATOM 0 HG2 GLN A 37 15.243 5.985 21.888 1.00 0.00 H new ATOM 0 HG3 GLN A 37 14.726 5.246 23.391 1.00 0.00 H new ATOM 0 HE21 GLN A 37 15.713 3.857 21.008 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.401 2.809 20.460 1.00 0.00 H new ATOM 572 N GLU A 38 11.689 9.388 22.112 1.00 0.00 N ATOM 573 CA GLU A 38 10.476 10.211 22.225 1.00 0.00 C ATOM 574 C GLU A 38 9.997 10.766 20.871 1.00 0.00 C ATOM 575 O GLU A 38 8.814 10.645 20.545 1.00 0.00 O ATOM 576 CB GLU A 38 10.676 11.363 23.223 1.00 0.00 C ATOM 577 CG GLU A 38 10.942 10.879 24.659 1.00 0.00 C ATOM 578 CD GLU A 38 10.151 11.704 25.691 1.00 0.00 C ATOM 579 OE1 GLU A 38 10.663 12.744 26.176 1.00 0.00 O1- ATOM 580 OE2 GLU A 38 9.006 11.309 26.023 1.00 0.00 O ATOM 0 H GLU A 38 12.506 9.779 22.582 1.00 0.00 H new ATOM 0 HA GLU A 38 9.697 9.545 22.596 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.512 11.980 22.893 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.790 11.998 23.218 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.668 9.828 24.746 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.008 10.950 24.876 1.00 0.00 H new ATOM 587 N LYS A 39 10.895 11.348 20.062 1.00 0.00 N ATOM 588 CA LYS A 39 10.542 11.987 18.779 1.00 0.00 C ATOM 589 C LYS A 39 10.117 10.968 17.714 1.00 0.00 C ATOM 590 O LYS A 39 9.091 11.150 17.057 1.00 0.00 O ATOM 591 CB LYS A 39 11.730 12.865 18.336 1.00 0.00 C ATOM 592 CG LYS A 39 11.399 13.889 17.233 1.00 0.00 C ATOM 593 CD LYS A 39 11.477 13.388 15.781 1.00 0.00 C ATOM 594 CE LYS A 39 12.905 12.984 15.387 1.00 0.00 C ATOM 595 NZ LYS A 39 13.011 12.668 13.938 1.00 0.00 N1+ ATOM 0 H LYS A 39 11.891 11.390 20.277 1.00 0.00 H new ATOM 0 HA LYS A 39 9.664 12.619 18.914 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.113 13.399 19.205 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.531 12.216 17.982 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.392 14.266 17.409 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.079 14.735 17.338 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.811 12.534 15.656 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.123 14.169 15.109 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.592 13.793 15.634 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.211 12.116 15.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.990 12.400 13.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.374 11.879 13.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.743 13.504 13.380 1.00 0.00 H new ATOM 609 N CYS A 40 10.875 9.880 17.577 1.00 0.00 N ATOM 610 CA CYS A 40 10.626 8.767 16.660 1.00 0.00 C ATOM 611 C CYS A 40 9.297 8.052 17.008 1.00 0.00 C ATOM 612 O CYS A 40 8.481 7.799 16.117 1.00 0.00 O ATOM 613 CB CYS A 40 11.871 7.859 16.731 1.00 0.00 C ATOM 614 SG CYS A 40 12.133 6.858 15.242 1.00 0.00 S ATOM 0 H CYS A 40 11.721 9.744 18.130 1.00 0.00 H new ATOM 0 HA CYS A 40 10.489 9.099 15.631 1.00 0.00 H new ATOM 0 HB2 CYS A 40 12.752 8.478 16.901 1.00 0.00 H new ATOM 0 HB3 CYS A 40 11.777 7.196 17.591 1.00 0.00 H new ATOM 619 N ARG A 41 9.013 7.834 18.306 1.00 0.00 N ATOM 620 CA ARG A 41 7.706 7.362 18.810 1.00 0.00 C ATOM 621 C ARG A 41 6.565 8.316 18.459 1.00 0.00 C ATOM 622 O ARG A 41 5.535 7.858 17.964 1.00 0.00 O ATOM 623 CB ARG A 41 7.788 7.129 20.331 1.00 0.00 C ATOM 624 CG ARG A 41 6.458 6.714 20.982 1.00 0.00 C ATOM 625 CD ARG A 41 6.643 6.281 22.444 1.00 0.00 C ATOM 626 NE ARG A 41 7.140 7.372 23.313 1.00 0.00 N ATOM 627 CZ ARG A 41 7.578 7.242 24.556 1.00 0.00 C ATOM 628 NH1 ARG A 41 7.599 6.089 25.165 1.00 0.00 N1+ ATOM 629 NH2 ARG A 41 8.005 8.273 25.227 1.00 0.00 N ATOM 0 H ARG A 41 9.697 7.983 19.048 1.00 0.00 H new ATOM 0 HA ARG A 41 7.479 6.418 18.314 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.532 6.357 20.529 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.143 8.043 20.808 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.757 7.547 20.937 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.017 5.895 20.414 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.691 5.919 22.833 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.342 5.445 22.484 1.00 0.00 H new ATOM 0 HE ARG A 41 7.146 8.312 22.917 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.271 5.252 24.683 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.943 6.024 26.123 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.005 9.197 24.796 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.339 8.156 26.184 1.00 0.00 H new ATOM 643 N TRP A 42 6.731 9.622 18.687 1.00 0.00 N ATOM 644 CA TRP A 42 5.693 10.616 18.383 1.00 0.00 C ATOM 645 C TRP A 42 5.345 10.628 16.889 1.00 0.00 C ATOM 646 O TRP A 42 4.168 10.551 16.531 1.00 0.00 O ATOM 647 CB TRP A 42 6.112 12.009 18.876 1.00 0.00 C ATOM 648 CG TRP A 42 4.967 12.952 19.101 1.00 0.00 C ATOM 649 CD1 TRP A 42 4.427 13.230 20.310 1.00 0.00 C ATOM 650 CD2 TRP A 42 4.175 13.710 18.129 1.00 0.00 C ATOM 651 NE1 TRP A 42 3.360 14.093 20.160 1.00 0.00 N ATOM 652 CE2 TRP A 42 3.146 14.408 18.836 1.00 0.00 C ATOM 653 CE3 TRP A 42 4.205 13.874 16.725 1.00 0.00 C ATOM 654 CZ2 TRP A 42 2.189 15.204 18.187 1.00 0.00 C ATOM 655 CZ3 TRP A 42 3.248 14.670 16.063 1.00 0.00 C ATOM 656 CH2 TRP A 42 2.239 15.329 16.789 1.00 0.00 C ATOM 0 H TRP A 42 7.582 10.020 19.085 1.00 0.00 H new ATOM 0 HA TRP A 42 4.788 10.330 18.919 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.667 11.901 19.808 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.793 12.450 18.148 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.778 12.836 21.252 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.800 14.453 20.933 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.974 13.381 16.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.425 15.713 18.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 3.290 14.775 14.989 1.00 0.00 H new ATOM 0 HH2 TRP A 42 1.505 15.929 16.273 1.00 0.00 H new ATOM 667 N LEU A 43 6.358 10.634 16.013 1.00 0.00 N ATOM 668 CA LEU A 43 6.176 10.506 14.564 1.00 0.00 C ATOM 669 C LEU A 43 5.482 9.197 14.169 1.00 0.00 C ATOM 670 O LEU A 43 4.481 9.241 13.457 1.00 0.00 O ATOM 671 CB LEU A 43 7.531 10.629 13.841 1.00 0.00 C ATOM 672 CG LEU A 43 8.094 12.055 13.724 1.00 0.00 C ATOM 673 CD1 LEU A 43 9.433 12.006 12.988 1.00 0.00 C ATOM 674 CD2 LEU A 43 7.179 12.979 12.921 1.00 0.00 C ATOM 0 H LEU A 43 7.334 10.729 16.294 1.00 0.00 H new ATOM 0 HA LEU A 43 5.522 11.321 14.254 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.260 10.012 14.366 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.426 10.215 12.838 1.00 0.00 H new ATOM 0 HG LEU A 43 8.191 12.442 14.738 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.838 13.014 12.902 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.131 11.381 13.545 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.286 11.588 11.992 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.622 13.974 12.868 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.055 12.583 11.913 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.206 13.041 13.408 1.00 0.00 H new ATOM 686 N ALA A 44 5.956 8.045 14.649 1.00 0.00 N ATOM 687 CA ALA A 44 5.366 6.743 14.331 1.00 0.00 C ATOM 688 C ALA A 44 3.898 6.616 14.796 1.00 0.00 C ATOM 689 O ALA A 44 3.071 6.038 14.087 1.00 0.00 O ATOM 690 CB ALA A 44 6.248 5.647 14.941 1.00 0.00 C ATOM 0 H ALA A 44 6.762 7.989 15.271 1.00 0.00 H new ATOM 0 HA ALA A 44 5.333 6.634 13.247 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.823 4.669 14.714 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.252 5.713 14.522 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.297 5.779 16.022 1.00 0.00 H new ATOM 696 N SER A 45 3.559 7.193 15.954 1.00 0.00 N ATOM 697 CA SER A 45 2.186 7.271 16.474 1.00 0.00 C ATOM 698 C SER A 45 1.297 8.213 15.641 1.00 0.00 C ATOM 699 O SER A 45 0.161 7.867 15.306 1.00 0.00 O ATOM 700 CB SER A 45 2.235 7.733 17.936 1.00 0.00 C ATOM 701 OG SER A 45 0.950 7.690 18.538 1.00 0.00 O ATOM 0 H SER A 45 4.245 7.629 16.570 1.00 0.00 H new ATOM 0 HA SER A 45 1.738 6.280 16.407 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.922 7.099 18.496 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.627 8.749 17.985 1.00 0.00 H new ATOM 0 HG SER A 45 1.015 7.989 19.469 1.00 0.00 H new ATOM 707 N SER A 46 1.821 9.382 15.249 1.00 0.00 N ATOM 708 CA SER A 46 1.130 10.374 14.407 1.00 0.00 C ATOM 709 C SER A 46 0.894 9.890 12.964 1.00 0.00 C ATOM 710 O SER A 46 -0.131 10.213 12.357 1.00 0.00 O ATOM 711 CB SER A 46 1.945 11.677 14.413 1.00 0.00 C ATOM 712 OG SER A 46 1.268 12.736 13.752 1.00 0.00 O ATOM 0 H SER A 46 2.762 9.674 15.514 1.00 0.00 H new ATOM 0 HA SER A 46 0.139 10.538 14.830 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.154 11.968 15.442 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.906 11.505 13.929 1.00 0.00 H new ATOM 0 HG SER A 46 1.820 13.545 13.780 1.00 0.00 H new ATOM 718 N LYS A 47 1.816 9.085 12.414 1.00 0.00 N ATOM 719 CA LYS A 47 1.786 8.491 11.061 1.00 0.00 C ATOM 720 C LYS A 47 0.792 7.315 10.950 1.00 0.00 C ATOM 721 O LYS A 47 1.164 6.177 10.658 1.00 0.00 O ATOM 722 CB LYS A 47 3.233 8.140 10.656 1.00 0.00 C ATOM 723 CG LYS A 47 3.403 7.914 9.145 1.00 0.00 C ATOM 724 CD LYS A 47 4.876 7.633 8.807 1.00 0.00 C ATOM 725 CE LYS A 47 5.133 7.566 7.294 1.00 0.00 C ATOM 726 NZ LYS A 47 4.485 6.389 6.656 1.00 0.00 N1+ ATOM 0 H LYS A 47 2.653 8.813 12.929 1.00 0.00 H new ATOM 0 HA LYS A 47 1.399 9.215 10.344 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.897 8.944 10.973 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.544 7.241 11.188 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.784 7.076 8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.059 8.792 8.599 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.500 8.413 9.244 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.177 6.691 9.265 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.763 8.478 6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.207 7.527 7.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.689 6.391 5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.856 5.515 7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.457 6.437 6.803 1.00 0.00 H new ATOM 740 N GLY A 48 -0.485 7.597 11.211 1.00 0.00 N ATOM 741 CA GLY A 48 -1.598 6.641 11.259 1.00 0.00 C ATOM 742 C GLY A 48 -2.696 6.992 10.252 1.00 0.00 C ATOM 743 O GLY A 48 -3.696 7.619 10.614 1.00 0.00 O ATOM 0 H GLY A 48 -0.790 8.551 11.406 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.224 5.638 11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.019 6.624 12.264 1.00 0.00 H new ATOM 747 N LYS A 49 -2.503 6.596 8.986 1.00 0.00 N ATOM 748 CA LYS A 49 -3.427 6.831 7.855 1.00 0.00 C ATOM 749 C LYS A 49 -3.865 5.521 7.190 1.00 0.00 C ATOM 750 O LYS A 49 -3.177 4.506 7.296 1.00 0.00 O ATOM 751 CB LYS A 49 -2.806 7.847 6.866 1.00 0.00 C ATOM 752 CG LYS A 49 -1.516 7.400 6.141 1.00 0.00 C ATOM 753 CD LYS A 49 -1.708 6.589 4.842 1.00 0.00 C ATOM 754 CE LYS A 49 -1.728 7.431 3.553 1.00 0.00 C ATOM 755 NZ LYS A 49 -2.944 8.277 3.411 1.00 0.00 N1+ ATOM 0 H LYS A 49 -1.668 6.083 8.705 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.346 7.274 8.238 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.554 8.091 6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.591 8.766 7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.930 8.289 5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.924 6.802 6.834 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.906 5.854 4.767 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.644 6.034 4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.846 8.071 3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.657 6.765 2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.899 8.803 2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.790 7.672 3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.994 8.948 4.204 1.00 0.00 H new ATOM 769 N GLN A 50 -5.013 5.555 6.504 1.00 0.00 N ATOM 770 CA GLN A 50 -5.699 4.391 5.903 1.00 0.00 C ATOM 771 C GLN A 50 -5.933 3.220 6.896 1.00 0.00 C ATOM 772 O GLN A 50 -6.034 2.055 6.504 1.00 0.00 O ATOM 773 CB GLN A 50 -4.968 4.012 4.592 1.00 0.00 C ATOM 774 CG GLN A 50 -5.756 3.142 3.593 1.00 0.00 C ATOM 775 CD GLN A 50 -7.099 3.741 3.169 1.00 0.00 C ATOM 776 OE1 GLN A 50 -7.242 4.933 2.928 1.00 0.00 O ATOM 777 NE2 GLN A 50 -8.143 2.943 3.068 1.00 0.00 N ATOM 0 H GLN A 50 -5.516 6.428 6.342 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.721 4.666 5.644 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.675 4.932 4.086 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.050 3.486 4.853 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.144 2.983 2.705 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.931 2.163 4.039 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.044 1.947 3.265 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.049 3.321 2.793 1.00 0.00 H new ATOM 786 N VAL A 51 -6.007 3.517 8.201 1.00 0.00 N ATOM 787 CA VAL A 51 -6.228 2.527 9.273 1.00 0.00 C ATOM 788 C VAL A 51 -7.653 1.953 9.237 1.00 0.00 C ATOM 789 O VAL A 51 -8.614 2.672 8.946 1.00 0.00 O ATOM 790 CB VAL A 51 -5.918 3.112 10.671 1.00 0.00 C ATOM 791 CG1 VAL A 51 -4.449 3.544 10.771 1.00 0.00 C ATOM 792 CG2 VAL A 51 -6.795 4.309 11.069 1.00 0.00 C ATOM 0 H VAL A 51 -5.913 4.470 8.551 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.530 1.710 9.087 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.140 2.299 11.362 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.256 3.952 11.763 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.804 2.682 10.602 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.242 4.306 10.019 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.509 4.655 12.062 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.657 5.116 10.350 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.842 4.006 11.077 1.00 0.00 H new ATOM 802 N ARG A 52 -7.797 0.660 9.559 1.00 0.00 N ATOM 803 CA ARG A 52 -9.091 -0.040 9.677 1.00 0.00 C ATOM 804 C ARG A 52 -8.961 -1.287 10.560 1.00 0.00 C ATOM 805 O ARG A 52 -8.170 -2.182 10.258 1.00 0.00 O ATOM 806 CB ARG A 52 -9.601 -0.395 8.264 1.00 0.00 C ATOM 807 CG ARG A 52 -11.043 -0.933 8.270 1.00 0.00 C ATOM 808 CD ARG A 52 -11.655 -0.953 6.861 1.00 0.00 C ATOM 809 NE ARG A 52 -10.920 -1.836 5.929 1.00 0.00 N ATOM 810 CZ ARG A 52 -11.117 -3.127 5.722 1.00 0.00 C ATOM 811 NH1 ARG A 52 -12.012 -3.811 6.377 1.00 0.00 N1+ ATOM 812 NH2 ARG A 52 -10.405 -3.766 4.837 1.00 0.00 N ATOM 0 H ARG A 52 -6.999 0.054 9.750 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.817 0.614 10.160 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.551 0.491 7.631 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.941 -1.141 7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.052 -1.941 8.684 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.658 -0.315 8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.692 -1.283 6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.667 0.061 6.461 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.177 -1.399 5.384 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.592 -3.351 7.079 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.133 -4.806 6.187 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.693 -3.270 4.301 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.560 -4.762 4.680 1.00 0.00 H new ATOM 826 N ASN A 53 -9.728 -1.340 11.651 1.00 0.00 N ATOM 827 CA ASN A 53 -9.812 -2.481 12.572 1.00 0.00 C ATOM 828 C ASN A 53 -11.143 -2.467 13.357 1.00 0.00 C ATOM 829 O ASN A 53 -11.510 -1.457 13.960 1.00 0.00 O ATOM 830 CB ASN A 53 -8.578 -2.513 13.507 1.00 0.00 C ATOM 831 CG ASN A 53 -8.169 -1.170 14.103 1.00 0.00 C ATOM 832 OD1 ASN A 53 -8.786 -0.634 15.011 1.00 0.00 O ATOM 833 ND2 ASN A 53 -7.085 -0.590 13.629 1.00 0.00 N ATOM 0 H ASN A 53 -10.329 -0.564 11.929 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.803 -3.402 11.989 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.781 -3.206 14.323 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.732 -2.916 12.950 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.769 0.297 14.020 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.562 -1.028 12.871 1.00 0.00 H new ATOM 840 N PHE A 54 -11.859 -3.597 13.337 1.00 0.00 N ATOM 841 CA PHE A 54 -13.131 -3.840 14.039 1.00 0.00 C ATOM 842 C PHE A 54 -13.346 -5.346 14.301 1.00 0.00 C ATOM 843 O PHE A 54 -12.710 -6.198 13.669 1.00 0.00 O ATOM 844 CB PHE A 54 -14.308 -3.283 13.208 1.00 0.00 C ATOM 845 CG PHE A 54 -14.542 -1.789 13.344 1.00 0.00 C ATOM 846 CD1 PHE A 54 -14.975 -1.260 14.577 1.00 0.00 C ATOM 847 CD2 PHE A 54 -14.352 -0.926 12.246 1.00 0.00 C ATOM 848 CE1 PHE A 54 -15.204 0.121 14.716 1.00 0.00 C ATOM 849 CE2 PHE A 54 -14.584 0.455 12.385 1.00 0.00 C ATOM 850 CZ PHE A 54 -15.008 0.979 13.620 1.00 0.00 C ATOM 0 H PHE A 54 -11.553 -4.411 12.804 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.088 -3.328 15.000 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -14.132 -3.513 12.157 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -15.219 -3.806 13.501 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.132 -1.918 15.419 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -14.028 -1.325 11.296 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -15.530 0.522 15.664 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.436 1.114 11.542 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.183 2.040 13.726 1.00 0.00 H new ATOM 860 N SER A 55 -14.266 -5.668 15.221 1.00 0.00 N ATOM 861 CA SER A 55 -14.670 -7.038 15.606 1.00 0.00 C ATOM 862 C SER A 55 -15.913 -7.536 14.854 1.00 0.00 C ATOM 863 O SER A 55 -16.018 -8.762 14.634 1.00 0.00 O ATOM 864 CB SER A 55 -14.939 -7.107 17.111 1.00 0.00 C ATOM 865 OG SER A 55 -13.754 -6.762 17.816 1.00 0.00 O ATOM 866 OXT SER A 55 -16.790 -6.711 14.500 1.00 0.00 O1- ATOM 0 H SER A 55 -14.774 -4.954 15.743 1.00 0.00 H new ATOM 0 HA SER A 55 -13.839 -7.688 15.333 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.747 -6.426 17.379 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.262 -8.110 17.389 1.00 0.00 H new ATOM 0 HG SER A 55 -13.923 -6.804 18.780 1.00 0.00 H new TER 872 SER A 55 HETATM 873 ZN ZN A 101 13.958 6.753 14.494 1.00 0.00 ZN