USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 THR OG1 : rot 180:sc= -0.517 USER MOD Set 1.2: A 14 GLN : amide:sc= -1.19! C(o=-1.7!,f=-6.9!) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0767 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 48:sc= 0.36 USER MOD Single : A 5 SER OG : rot 21:sc= 0.00307 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00415 USER MOD Single : A 8 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0505) USER MOD Single : A 10 LYS NZ :NH3+ -163:sc= -0.378 (180deg=-1.03) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0932 X(o=-0.093,f=-0.43) USER MOD Single : A 25 CYS SG : rot -106:sc= 1.02 USER MOD Single : A 26 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.068) USER MOD Single : A 33 TYR OH : rot 125:sc= 0.0378 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 35 LYS NZ :NH3+ -162:sc= -0.0135 (180deg=-0.2) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot -71:sc= 1.12 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -159:sc= 1.83 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS :FLIP no HE2:sc= -6.52! C(o=-8.8!,f=-6.5!) USER MOD Single : A 62 GLN : amide:sc= -0.857! C(o=-0.86!,f=-0.71!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.050 -6.786 -5.214 1.00 0.00 N ATOM 2 CA GLY A 1 33.183 -6.397 -4.396 1.00 0.00 C ATOM 3 C GLY A 1 33.226 -7.137 -3.074 1.00 0.00 C ATOM 4 O GLY A 1 32.390 -8.002 -2.812 1.00 0.00 O ATOM 0 H1 GLY A 1 32.386 -7.314 -6.045 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.410 -7.388 -4.657 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.540 -5.936 -5.527 1.00 0.00 H new ATOM 0 HA2 GLY A 1 34.105 -6.587 -4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 1 33.139 -5.324 -4.207 1.00 0.00 H new ATOM 8 N SER A 2 34.203 -6.798 -2.239 1.00 0.00 N ATOM 9 CA SER A 2 34.355 -7.441 -0.939 1.00 0.00 C ATOM 10 C SER A 2 33.897 -6.514 0.182 1.00 0.00 C ATOM 11 O SER A 2 33.654 -6.954 1.306 1.00 0.00 O ATOM 12 CB SER A 2 35.813 -7.849 -0.715 1.00 0.00 C ATOM 13 OG SER A 2 36.683 -6.742 -0.878 1.00 0.00 O ATOM 0 H SER A 2 34.901 -6.082 -2.439 1.00 0.00 H new ATOM 0 HA SER A 2 33.730 -8.334 -0.928 1.00 0.00 H new ATOM 0 HB2 SER A 2 35.929 -8.262 0.287 1.00 0.00 H new ATOM 0 HB3 SER A 2 36.086 -8.636 -1.418 1.00 0.00 H new ATOM 0 HG SER A 2 37.608 -7.028 -0.728 1.00 0.00 H new ATOM 19 N SER A 3 33.780 -5.228 -0.133 1.00 0.00 N ATOM 20 CA SER A 3 33.354 -4.237 0.848 1.00 0.00 C ATOM 21 C SER A 3 31.866 -3.933 0.704 1.00 0.00 C ATOM 22 O SER A 3 31.473 -3.034 -0.038 1.00 0.00 O ATOM 23 CB SER A 3 34.166 -2.950 0.690 1.00 0.00 C ATOM 24 OG SER A 3 34.148 -2.498 -0.653 1.00 0.00 O ATOM 0 H SER A 3 33.974 -4.848 -1.060 1.00 0.00 H new ATOM 0 HA SER A 3 33.528 -4.649 1.842 1.00 0.00 H new ATOM 0 HB2 SER A 3 33.760 -2.177 1.343 1.00 0.00 H new ATOM 0 HB3 SER A 3 35.195 -3.124 1.005 1.00 0.00 H new ATOM 0 HG SER A 3 33.226 -2.500 -0.987 1.00 0.00 H new ATOM 30 N GLY A 4 31.041 -4.692 1.420 1.00 0.00 N ATOM 31 CA GLY A 4 29.605 -4.490 1.358 1.00 0.00 C ATOM 32 C GLY A 4 28.915 -5.504 0.466 1.00 0.00 C ATOM 33 O GLY A 4 29.572 -6.305 -0.199 1.00 0.00 O ATOM 0 H GLY A 4 31.342 -5.443 2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 4 29.189 -4.552 2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.398 -3.486 0.989 1.00 0.00 H new ATOM 37 N SER A 5 27.587 -5.471 0.454 1.00 0.00 N ATOM 38 CA SER A 5 26.807 -6.398 -0.358 1.00 0.00 C ATOM 39 C SER A 5 25.602 -5.696 -0.978 1.00 0.00 C ATOM 40 O SER A 5 25.195 -4.624 -0.529 1.00 0.00 O ATOM 41 CB SER A 5 26.340 -7.583 0.489 1.00 0.00 C ATOM 42 OG SER A 5 27.352 -8.571 0.585 1.00 0.00 O ATOM 0 H SER A 5 27.028 -4.813 0.997 1.00 0.00 H new ATOM 0 HA SER A 5 27.446 -6.764 -1.162 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.069 -7.237 1.487 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.443 -8.018 0.048 1.00 0.00 H new ATOM 0 HG SER A 5 28.223 -8.168 0.385 1.00 0.00 H new ATOM 48 N SER A 6 25.036 -6.309 -2.013 1.00 0.00 N ATOM 49 CA SER A 6 23.881 -5.742 -2.698 1.00 0.00 C ATOM 50 C SER A 6 22.651 -5.759 -1.795 1.00 0.00 C ATOM 51 O SER A 6 21.961 -4.752 -1.648 1.00 0.00 O ATOM 52 CB SER A 6 23.593 -6.518 -3.985 1.00 0.00 C ATOM 53 OG SER A 6 23.474 -7.906 -3.727 1.00 0.00 O ATOM 0 H SER A 6 25.359 -7.198 -2.395 1.00 0.00 H new ATOM 0 HA SER A 6 24.111 -4.707 -2.950 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.673 -6.149 -4.438 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.394 -6.346 -4.704 1.00 0.00 H new ATOM 0 HG SER A 6 23.288 -8.380 -4.565 1.00 0.00 H new ATOM 59 N GLY A 7 22.384 -6.913 -1.191 1.00 0.00 N ATOM 60 CA GLY A 7 21.238 -7.042 -0.309 1.00 0.00 C ATOM 61 C GLY A 7 19.931 -7.145 -1.069 1.00 0.00 C ATOM 62 O GLY A 7 19.924 -7.270 -2.294 1.00 0.00 O ATOM 0 H GLY A 7 22.941 -7.761 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.362 -7.926 0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.199 -6.182 0.360 1.00 0.00 H new ATOM 66 N LYS A 8 18.820 -7.094 -0.342 1.00 0.00 N ATOM 67 CA LYS A 8 17.500 -7.183 -0.954 1.00 0.00 C ATOM 68 C LYS A 8 16.925 -5.794 -1.212 1.00 0.00 C ATOM 69 O LYS A 8 17.111 -4.877 -0.413 1.00 0.00 O ATOM 70 CB LYS A 8 16.551 -7.980 -0.056 1.00 0.00 C ATOM 71 CG LYS A 8 16.769 -9.482 -0.122 1.00 0.00 C ATOM 72 CD LYS A 8 18.052 -9.891 0.581 1.00 0.00 C ATOM 73 CE LYS A 8 18.207 -11.404 0.622 1.00 0.00 C ATOM 74 NZ LYS A 8 18.359 -11.983 -0.742 1.00 0.00 N ATOM 0 H LYS A 8 18.808 -6.991 0.673 1.00 0.00 H new ATOM 0 HA LYS A 8 17.604 -7.697 -1.909 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.675 -7.648 0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.523 -7.758 -0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.923 -9.994 0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 8 16.807 -9.800 -1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 8 18.906 -9.450 0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.053 -9.496 1.597 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.076 -11.664 1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.337 -11.845 1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 18.580 -12.996 -0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.473 -11.861 -1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.131 -11.497 -1.241 1.00 0.00 H new ATOM 88 N ARG A 9 16.225 -5.647 -2.332 1.00 0.00 N ATOM 89 CA ARG A 9 15.623 -4.369 -2.695 1.00 0.00 C ATOM 90 C ARG A 9 14.537 -4.560 -3.749 1.00 0.00 C ATOM 91 O ARG A 9 14.575 -5.510 -4.531 1.00 0.00 O ATOM 92 CB ARG A 9 16.692 -3.407 -3.217 1.00 0.00 C ATOM 93 CG ARG A 9 17.464 -3.945 -4.411 1.00 0.00 C ATOM 94 CD ARG A 9 18.797 -3.231 -4.579 1.00 0.00 C ATOM 95 NE ARG A 9 18.668 -2.011 -5.371 1.00 0.00 N ATOM 96 CZ ARG A 9 19.686 -1.428 -5.993 1.00 0.00 C ATOM 97 NH1 ARG A 9 20.902 -1.951 -5.916 1.00 0.00 N ATOM 98 NH2 ARG A 9 19.490 -0.319 -6.695 1.00 0.00 N ATOM 0 H ARG A 9 16.061 -6.397 -3.004 1.00 0.00 H new ATOM 0 HA ARG A 9 15.167 -3.944 -1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 9 16.217 -2.466 -3.496 1.00 0.00 H new ATOM 0 HB3 ARG A 9 17.393 -3.184 -2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 9 17.636 -5.014 -4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 9 16.868 -3.824 -5.316 1.00 0.00 H new ATOM 0 HD2 ARG A 9 19.203 -2.985 -3.598 1.00 0.00 H new ATOM 0 HD3 ARG A 9 19.509 -3.902 -5.059 1.00 0.00 H new ATOM 0 HE ARG A 9 17.745 -1.583 -5.451 1.00 0.00 H new ATOM 0 HH11 ARG A 9 21.057 -2.803 -5.378 1.00 0.00 H new ATOM 0 HH12 ARG A 9 21.682 -1.501 -6.395 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.556 0.087 -6.757 1.00 0.00 H new ATOM 0 HH22 ARG A 9 20.273 0.128 -7.172 1.00 0.00 H new ATOM 112 N LYS A 10 13.568 -3.651 -3.765 1.00 0.00 N ATOM 113 CA LYS A 10 12.471 -3.717 -4.722 1.00 0.00 C ATOM 114 C LYS A 10 12.703 -2.755 -5.883 1.00 0.00 C ATOM 115 O LYS A 10 13.511 -1.831 -5.786 1.00 0.00 O ATOM 116 CB LYS A 10 11.144 -3.389 -4.033 1.00 0.00 C ATOM 117 CG LYS A 10 10.684 -4.461 -3.060 1.00 0.00 C ATOM 118 CD LYS A 10 9.449 -4.022 -2.291 1.00 0.00 C ATOM 119 CE LYS A 10 9.215 -4.895 -1.067 1.00 0.00 C ATOM 120 NZ LYS A 10 8.552 -6.181 -1.422 1.00 0.00 N ATOM 0 H LYS A 10 13.521 -2.859 -3.124 1.00 0.00 H new ATOM 0 HA LYS A 10 12.428 -4.732 -5.116 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.245 -2.444 -3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 10 10.375 -3.245 -4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 10 10.467 -5.380 -3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.488 -4.688 -2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.562 -2.983 -1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.577 -4.068 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.168 -5.100 -0.580 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.599 -4.355 -0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.153 -6.614 -0.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.790 -6.001 -2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.250 -6.827 -1.843 1.00 0.00 H new ATOM 134 N THR A 11 11.989 -2.978 -6.982 1.00 0.00 N ATOM 135 CA THR A 11 12.117 -2.131 -8.162 1.00 0.00 C ATOM 136 C THR A 11 10.938 -1.173 -8.282 1.00 0.00 C ATOM 137 O THR A 11 9.790 -1.552 -8.048 1.00 0.00 O ATOM 138 CB THR A 11 12.214 -2.972 -9.449 1.00 0.00 C ATOM 139 OG1 THR A 11 10.979 -3.658 -9.680 1.00 0.00 O ATOM 140 CG2 THR A 11 13.350 -3.980 -9.353 1.00 0.00 C ATOM 0 H THR A 11 11.316 -3.738 -7.080 1.00 0.00 H new ATOM 0 HA THR A 11 13.036 -1.558 -8.041 1.00 0.00 H new ATOM 0 HB THR A 11 12.417 -2.299 -10.282 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.048 -4.189 -10.501 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.399 -4.562 -10.273 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.293 -3.453 -9.207 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.173 -4.648 -8.510 1.00 0.00 H new ATOM 148 N LYS A 12 11.227 0.071 -8.649 1.00 0.00 N ATOM 149 CA LYS A 12 10.190 1.084 -8.802 1.00 0.00 C ATOM 150 C LYS A 12 8.903 0.468 -9.341 1.00 0.00 C ATOM 151 O LYS A 12 7.808 0.813 -8.898 1.00 0.00 O ATOM 152 CB LYS A 12 10.669 2.195 -9.741 1.00 0.00 C ATOM 153 CG LYS A 12 9.731 3.388 -9.799 1.00 0.00 C ATOM 154 CD LYS A 12 9.994 4.245 -11.025 1.00 0.00 C ATOM 155 CE LYS A 12 8.730 4.948 -11.497 1.00 0.00 C ATOM 156 NZ LYS A 12 8.892 5.524 -12.860 1.00 0.00 N ATOM 0 H LYS A 12 12.172 0.402 -8.846 1.00 0.00 H new ATOM 0 HA LYS A 12 9.984 1.510 -7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.654 2.533 -9.418 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.786 1.786 -10.745 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.698 3.040 -9.812 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.852 3.991 -8.899 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.759 4.986 -10.794 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.386 3.622 -11.828 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.900 4.241 -11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.472 5.742 -10.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.009 5.994 -13.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.667 6.217 -12.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.113 4.764 -13.534 1.00 0.00 H new ATOM 170 N GLU A 13 9.043 -0.444 -10.297 1.00 0.00 N ATOM 171 CA GLU A 13 7.890 -1.108 -10.894 1.00 0.00 C ATOM 172 C GLU A 13 7.120 -1.908 -9.847 1.00 0.00 C ATOM 173 O GLU A 13 5.951 -1.634 -9.580 1.00 0.00 O ATOM 174 CB GLU A 13 8.337 -2.031 -12.030 1.00 0.00 C ATOM 175 CG GLU A 13 8.430 -1.336 -13.378 1.00 0.00 C ATOM 176 CD GLU A 13 9.028 -2.224 -14.452 1.00 0.00 C ATOM 177 OE1 GLU A 13 8.591 -3.388 -14.572 1.00 0.00 O ATOM 178 OE2 GLU A 13 9.934 -1.755 -15.173 1.00 0.00 O ATOM 0 H GLU A 13 9.943 -0.740 -10.675 1.00 0.00 H new ATOM 0 HA GLU A 13 7.230 -0.340 -11.297 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.310 -2.455 -11.781 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.637 -2.863 -12.107 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.435 -1.017 -13.688 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.036 -0.436 -13.277 1.00 0.00 H new ATOM 185 N GLN A 14 7.785 -2.897 -9.259 1.00 0.00 N ATOM 186 CA GLN A 14 7.163 -3.737 -8.243 1.00 0.00 C ATOM 187 C GLN A 14 6.501 -2.886 -7.164 1.00 0.00 C ATOM 188 O GLN A 14 5.325 -3.071 -6.847 1.00 0.00 O ATOM 189 CB GLN A 14 8.203 -4.664 -7.611 1.00 0.00 C ATOM 190 CG GLN A 14 8.861 -5.607 -8.606 1.00 0.00 C ATOM 191 CD GLN A 14 10.097 -6.279 -8.042 1.00 0.00 C ATOM 192 OE1 GLN A 14 11.025 -5.613 -7.582 1.00 0.00 O ATOM 193 NE2 GLN A 14 10.116 -7.607 -8.074 1.00 0.00 N ATOM 0 H GLN A 14 8.754 -3.136 -9.469 1.00 0.00 H new ATOM 0 HA GLN A 14 6.395 -4.340 -8.727 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.973 -4.060 -7.132 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.725 -5.252 -6.827 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.143 -6.370 -8.908 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.132 -5.051 -9.504 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.325 -8.119 -8.464 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.922 -8.114 -7.708 1.00 0.00 H new ATOM 202 N LEU A 15 7.263 -1.953 -6.603 1.00 0.00 N ATOM 203 CA LEU A 15 6.750 -1.073 -5.559 1.00 0.00 C ATOM 204 C LEU A 15 5.487 -0.355 -6.023 1.00 0.00 C ATOM 205 O LEU A 15 4.542 -0.181 -5.255 1.00 0.00 O ATOM 206 CB LEU A 15 7.814 -0.050 -5.159 1.00 0.00 C ATOM 207 CG LEU A 15 8.849 -0.523 -4.137 1.00 0.00 C ATOM 208 CD1 LEU A 15 9.789 0.614 -3.764 1.00 0.00 C ATOM 209 CD2 LEU A 15 8.161 -1.077 -2.898 1.00 0.00 C ATOM 0 H LEU A 15 8.238 -1.787 -6.854 1.00 0.00 H new ATOM 0 HA LEU A 15 6.500 -1.686 -4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.340 0.268 -6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.311 0.829 -4.757 1.00 0.00 H new ATOM 0 HG LEU A 15 9.438 -1.321 -4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.518 0.259 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.308 0.965 -4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.215 1.434 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.913 -1.409 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.546 -0.299 -2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.530 -1.920 -3.179 1.00 0.00 H new ATOM 221 N ALA A 16 5.478 0.058 -7.287 1.00 0.00 N ATOM 222 CA ALA A 16 4.330 0.753 -7.855 1.00 0.00 C ATOM 223 C ALA A 16 3.042 -0.030 -7.619 1.00 0.00 C ATOM 224 O ALA A 16 2.018 0.541 -7.242 1.00 0.00 O ATOM 225 CB ALA A 16 4.540 0.991 -9.343 1.00 0.00 C ATOM 0 H ALA A 16 6.253 -0.077 -7.936 1.00 0.00 H new ATOM 0 HA ALA A 16 4.236 1.716 -7.354 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.675 1.511 -9.754 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.433 1.598 -9.492 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.663 0.034 -9.851 1.00 0.00 H new ATOM 231 N ILE A 17 3.101 -1.338 -7.845 1.00 0.00 N ATOM 232 CA ILE A 17 1.939 -2.198 -7.657 1.00 0.00 C ATOM 233 C ILE A 17 1.504 -2.221 -6.195 1.00 0.00 C ATOM 234 O ILE A 17 0.319 -2.363 -5.891 1.00 0.00 O ATOM 235 CB ILE A 17 2.225 -3.639 -8.119 1.00 0.00 C ATOM 236 CG1 ILE A 17 2.471 -3.674 -9.628 1.00 0.00 C ATOM 237 CG2 ILE A 17 1.069 -4.554 -7.744 1.00 0.00 C ATOM 238 CD1 ILE A 17 3.386 -4.797 -10.065 1.00 0.00 C ATOM 0 H ILE A 17 3.941 -1.825 -8.158 1.00 0.00 H new ATOM 0 HA ILE A 17 1.136 -1.783 -8.266 1.00 0.00 H new ATOM 0 HB ILE A 17 3.123 -3.995 -7.615 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.515 -3.774 -10.142 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.902 -2.723 -9.940 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.286 -5.569 -8.077 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.936 -4.548 -6.662 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.156 -4.202 -8.224 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.516 -4.761 -11.147 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.356 -4.686 -9.579 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.947 -5.754 -9.784 1.00 0.00 H new ATOM 250 N LEU A 18 2.469 -2.080 -5.294 1.00 0.00 N ATOM 251 CA LEU A 18 2.186 -2.083 -3.863 1.00 0.00 C ATOM 252 C LEU A 18 1.531 -0.774 -3.435 1.00 0.00 C ATOM 253 O LEU A 18 0.441 -0.771 -2.862 1.00 0.00 O ATOM 254 CB LEU A 18 3.475 -2.304 -3.069 1.00 0.00 C ATOM 255 CG LEU A 18 3.837 -3.759 -2.769 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.244 -3.853 -2.201 1.00 0.00 C ATOM 257 CD2 LEU A 18 2.829 -4.373 -1.807 1.00 0.00 C ATOM 0 H LEU A 18 3.455 -1.962 -5.529 1.00 0.00 H new ATOM 0 HA LEU A 18 1.494 -2.899 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.300 -1.852 -3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.392 -1.769 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 18 3.806 -4.320 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.484 -4.896 -1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.956 -3.454 -2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.303 -3.277 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.103 -5.409 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.827 -3.810 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.835 -4.341 -2.252 1.00 0.00 H new ATOM 269 N LYS A 19 2.200 0.338 -3.718 1.00 0.00 N ATOM 270 CA LYS A 19 1.682 1.655 -3.366 1.00 0.00 C ATOM 271 C LYS A 19 0.180 1.733 -3.616 1.00 0.00 C ATOM 272 O LYS A 19 -0.563 2.305 -2.817 1.00 0.00 O ATOM 273 CB LYS A 19 2.401 2.740 -4.172 1.00 0.00 C ATOM 274 CG LYS A 19 3.879 2.862 -3.845 1.00 0.00 C ATOM 275 CD LYS A 19 4.477 4.130 -4.432 1.00 0.00 C ATOM 276 CE LYS A 19 5.997 4.078 -4.438 1.00 0.00 C ATOM 277 NZ LYS A 19 6.527 3.487 -5.698 1.00 0.00 N ATOM 0 H LYS A 19 3.104 0.354 -4.191 1.00 0.00 H new ATOM 0 HA LYS A 19 1.865 1.818 -2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.289 2.525 -5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.916 3.699 -3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.015 2.861 -2.763 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.411 1.994 -4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.113 4.268 -5.450 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.144 4.992 -3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.395 5.085 -4.314 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.344 3.491 -3.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.566 3.469 -5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.168 2.517 -5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.218 4.062 -6.508 1.00 0.00 H new ATOM 291 N SER A 20 -0.262 1.153 -4.727 1.00 0.00 N ATOM 292 CA SER A 20 -1.676 1.159 -5.082 1.00 0.00 C ATOM 293 C SER A 20 -2.490 0.337 -4.087 1.00 0.00 C ATOM 294 O SER A 20 -3.601 0.715 -3.714 1.00 0.00 O ATOM 295 CB SER A 20 -1.871 0.608 -6.496 1.00 0.00 C ATOM 296 OG SER A 20 -3.011 1.180 -7.114 1.00 0.00 O ATOM 0 H SER A 20 0.339 0.673 -5.397 1.00 0.00 H new ATOM 0 HA SER A 20 -2.029 2.190 -5.049 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.985 0.816 -7.096 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.981 -0.476 -6.455 1.00 0.00 H new ATOM 0 HG SER A 20 -3.112 0.813 -8.017 1.00 0.00 H new ATOM 302 N PHE A 21 -1.928 -0.789 -3.661 1.00 0.00 N ATOM 303 CA PHE A 21 -2.600 -1.666 -2.710 1.00 0.00 C ATOM 304 C PHE A 21 -2.698 -1.008 -1.337 1.00 0.00 C ATOM 305 O PHE A 21 -3.775 -0.933 -0.747 1.00 0.00 O ATOM 306 CB PHE A 21 -1.855 -2.998 -2.597 1.00 0.00 C ATOM 307 CG PHE A 21 -2.747 -4.157 -2.253 1.00 0.00 C ATOM 308 CD1 PHE A 21 -3.243 -4.309 -0.968 1.00 0.00 C ATOM 309 CD2 PHE A 21 -3.090 -5.094 -3.214 1.00 0.00 C ATOM 310 CE1 PHE A 21 -4.064 -5.373 -0.648 1.00 0.00 C ATOM 311 CE2 PHE A 21 -3.911 -6.160 -2.900 1.00 0.00 C ATOM 312 CZ PHE A 21 -4.397 -6.301 -1.615 1.00 0.00 C ATOM 0 H PHE A 21 -1.009 -1.116 -3.959 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.609 -1.852 -3.077 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.352 -3.205 -3.542 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.080 -2.908 -1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.985 -3.587 -0.208 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.711 -4.990 -4.220 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.445 -5.479 0.357 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.173 -6.883 -3.659 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.036 -7.135 -1.367 1.00 0.00 H new ATOM 322 N PHE A 22 -1.563 -0.531 -0.834 1.00 0.00 N ATOM 323 CA PHE A 22 -1.519 0.120 0.470 1.00 0.00 C ATOM 324 C PHE A 22 -2.644 1.142 0.605 1.00 0.00 C ATOM 325 O PHE A 22 -3.376 1.149 1.596 1.00 0.00 O ATOM 326 CB PHE A 22 -0.166 0.803 0.676 1.00 0.00 C ATOM 327 CG PHE A 22 0.037 1.322 2.071 1.00 0.00 C ATOM 328 CD1 PHE A 22 0.458 0.477 3.085 1.00 0.00 C ATOM 329 CD2 PHE A 22 -0.193 2.656 2.369 1.00 0.00 C ATOM 330 CE1 PHE A 22 0.645 0.952 4.369 1.00 0.00 C ATOM 331 CE2 PHE A 22 -0.008 3.137 3.651 1.00 0.00 C ATOM 332 CZ PHE A 22 0.413 2.283 4.652 1.00 0.00 C ATOM 0 H PHE A 22 -0.662 -0.583 -1.310 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.653 -0.644 1.236 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.629 0.095 0.441 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.075 1.630 -0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.642 -0.565 2.869 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.521 3.328 1.589 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.972 0.282 5.151 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.192 4.178 3.870 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.560 2.656 5.655 1.00 0.00 H new ATOM 342 N LEU A 23 -2.774 2.005 -0.396 1.00 0.00 N ATOM 343 CA LEU A 23 -3.809 3.033 -0.390 1.00 0.00 C ATOM 344 C LEU A 23 -5.188 2.417 -0.178 1.00 0.00 C ATOM 345 O LEU A 23 -5.925 2.817 0.723 1.00 0.00 O ATOM 346 CB LEU A 23 -3.785 3.818 -1.703 1.00 0.00 C ATOM 347 CG LEU A 23 -2.450 4.467 -2.072 1.00 0.00 C ATOM 348 CD1 LEU A 23 -2.298 4.552 -3.583 1.00 0.00 C ATOM 349 CD2 LEU A 23 -2.338 5.848 -1.445 1.00 0.00 C ATOM 0 H LEU A 23 -2.176 2.014 -1.222 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.604 3.714 0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.075 3.146 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.544 4.599 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.645 3.845 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.343 5.016 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.334 3.549 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.109 5.151 -3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.382 6.295 -1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.150 6.479 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.401 5.761 -0.360 1.00 0.00 H new ATOM 361 N GLN A 24 -5.528 1.440 -1.012 1.00 0.00 N ATOM 362 CA GLN A 24 -6.818 0.767 -0.915 1.00 0.00 C ATOM 363 C GLN A 24 -6.999 0.133 0.461 1.00 0.00 C ATOM 364 O GLN A 24 -8.102 0.120 1.009 1.00 0.00 O ATOM 365 CB GLN A 24 -6.944 -0.301 -2.002 1.00 0.00 C ATOM 366 CG GLN A 24 -6.949 0.265 -3.413 1.00 0.00 C ATOM 367 CD GLN A 24 -8.169 1.120 -3.694 1.00 0.00 C ATOM 368 OE1 GLN A 24 -9.285 0.778 -3.301 1.00 0.00 O ATOM 369 NE2 GLN A 24 -7.963 2.239 -4.378 1.00 0.00 N ATOM 0 H GLN A 24 -4.928 1.097 -1.762 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.600 1.513 -1.057 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.118 -1.006 -1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.864 -0.864 -1.842 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.049 0.861 -3.564 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.912 -0.555 -4.130 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.021 2.484 -4.684 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.746 2.854 -4.597 1.00 0.00 H new ATOM 378 N CYS A 25 -5.911 -0.392 1.012 1.00 0.00 N ATOM 379 CA CYS A 25 -5.949 -1.029 2.324 1.00 0.00 C ATOM 380 C CYS A 25 -4.559 -1.069 2.950 1.00 0.00 C ATOM 381 O CYS A 25 -3.652 -1.718 2.428 1.00 0.00 O ATOM 382 CB CYS A 25 -6.512 -2.446 2.209 1.00 0.00 C ATOM 383 SG CYS A 25 -7.395 -3.011 3.682 1.00 0.00 S ATOM 0 H CYS A 25 -4.991 -0.389 0.571 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.600 -0.439 2.969 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.188 -2.489 1.355 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.693 -3.135 2.003 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.669 -3.884 4.315 1.00 0.00 H new ATOM 389 N GLN A 26 -4.399 -0.371 4.069 1.00 0.00 N ATOM 390 CA GLN A 26 -3.118 -0.326 4.764 1.00 0.00 C ATOM 391 C GLN A 26 -2.693 -1.720 5.213 1.00 0.00 C ATOM 392 O GLN A 26 -1.508 -1.980 5.426 1.00 0.00 O ATOM 393 CB GLN A 26 -3.202 0.608 5.973 1.00 0.00 C ATOM 394 CG GLN A 26 -3.181 2.082 5.605 1.00 0.00 C ATOM 395 CD GLN A 26 -4.557 2.618 5.262 1.00 0.00 C ATOM 396 OE1 GLN A 26 -5.271 3.128 6.126 1.00 0.00 O ATOM 397 NE2 GLN A 26 -4.937 2.505 3.995 1.00 0.00 N ATOM 0 H GLN A 26 -5.140 0.171 4.514 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.370 0.056 4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.117 0.393 6.525 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.368 0.397 6.643 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.769 2.654 6.436 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.515 2.231 4.755 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.313 2.075 3.312 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.853 2.848 3.705 1.00 0.00 H new ATOM 406 N TRP A 27 -3.666 -2.613 5.354 1.00 0.00 N ATOM 407 CA TRP A 27 -3.391 -3.982 5.778 1.00 0.00 C ATOM 408 C TRP A 27 -3.962 -4.985 4.782 1.00 0.00 C ATOM 409 O TRP A 27 -5.115 -4.873 4.367 1.00 0.00 O ATOM 410 CB TRP A 27 -3.977 -4.234 7.168 1.00 0.00 C ATOM 411 CG TRP A 27 -3.436 -3.312 8.218 1.00 0.00 C ATOM 412 CD1 TRP A 27 -3.708 -1.981 8.359 1.00 0.00 C ATOM 413 CD2 TRP A 27 -2.528 -3.652 9.271 1.00 0.00 C ATOM 414 NE1 TRP A 27 -3.023 -1.473 9.437 1.00 0.00 N ATOM 415 CE2 TRP A 27 -2.293 -2.478 10.014 1.00 0.00 C ATOM 416 CE3 TRP A 27 -1.892 -4.833 9.661 1.00 0.00 C ATOM 417 CZ2 TRP A 27 -1.449 -2.454 11.121 1.00 0.00 C ATOM 418 CZ3 TRP A 27 -1.054 -4.808 10.759 1.00 0.00 C ATOM 419 CH2 TRP A 27 -0.839 -3.625 11.480 1.00 0.00 C ATOM 0 H TRP A 27 -4.651 -2.415 5.181 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.310 -4.114 5.818 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -5.061 -4.125 7.123 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.772 -5.264 7.459 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.365 -1.412 7.718 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -3.053 -0.505 9.756 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.053 -5.750 9.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -1.282 -1.543 11.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.556 -5.715 11.067 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -0.179 -3.638 12.335 1.00 0.00 H new ATOM 430 N ALA A 28 -3.149 -5.964 4.402 1.00 0.00 N ATOM 431 CA ALA A 28 -3.575 -6.988 3.457 1.00 0.00 C ATOM 432 C ALA A 28 -3.620 -8.362 4.118 1.00 0.00 C ATOM 433 O ALA A 28 -2.912 -8.615 5.093 1.00 0.00 O ATOM 434 CB ALA A 28 -2.648 -7.011 2.250 1.00 0.00 C ATOM 0 H ALA A 28 -2.191 -6.070 4.734 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.583 -6.742 3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.978 -7.781 1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.670 -6.040 1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.631 -7.229 2.576 1.00 0.00 H new ATOM 440 N ARG A 29 -4.456 -9.244 3.582 1.00 0.00 N ATOM 441 CA ARG A 29 -4.595 -10.592 4.121 1.00 0.00 C ATOM 442 C ARG A 29 -3.869 -11.607 3.243 1.00 0.00 C ATOM 443 O ARG A 29 -3.542 -11.323 2.090 1.00 0.00 O ATOM 444 CB ARG A 29 -6.073 -10.967 4.240 1.00 0.00 C ATOM 445 CG ARG A 29 -6.796 -10.248 5.366 1.00 0.00 C ATOM 446 CD ARG A 29 -6.581 -10.944 6.701 1.00 0.00 C ATOM 447 NE ARG A 29 -7.514 -10.472 7.721 1.00 0.00 N ATOM 448 CZ ARG A 29 -7.482 -10.873 8.987 1.00 0.00 C ATOM 449 NH1 ARG A 29 -6.569 -11.747 9.387 1.00 0.00 N ATOM 450 NH2 ARG A 29 -8.365 -10.398 9.856 1.00 0.00 N ATOM 0 H ARG A 29 -5.048 -9.050 2.774 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.143 -10.608 5.113 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.573 -10.743 3.298 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.155 -12.043 4.396 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.441 -9.219 5.429 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.862 -10.204 5.145 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.699 -12.020 6.572 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.559 -10.773 7.038 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.229 -9.798 7.446 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.888 -12.114 8.722 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.547 -12.053 10.360 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.068 -9.725 9.552 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.340 -10.706 10.828 1.00 0.00 H new ATOM 464 N ARG A 30 -3.621 -12.789 3.795 1.00 0.00 N ATOM 465 CA ARG A 30 -2.933 -13.846 3.062 1.00 0.00 C ATOM 466 C ARG A 30 -3.562 -14.052 1.688 1.00 0.00 C ATOM 467 O ARG A 30 -2.860 -14.243 0.696 1.00 0.00 O ATOM 468 CB ARG A 30 -2.972 -15.154 3.855 1.00 0.00 C ATOM 469 CG ARG A 30 -1.832 -16.102 3.521 1.00 0.00 C ATOM 470 CD ARG A 30 -0.529 -15.656 4.167 1.00 0.00 C ATOM 471 NE ARG A 30 -0.614 -15.654 5.625 1.00 0.00 N ATOM 472 CZ ARG A 30 -1.010 -14.605 6.337 1.00 0.00 C ATOM 473 NH1 ARG A 30 -1.357 -13.479 5.728 1.00 0.00 N ATOM 474 NH2 ARG A 30 -1.061 -14.680 7.660 1.00 0.00 N ATOM 0 H ARG A 30 -3.886 -13.040 4.748 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.895 -13.543 2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.942 -14.924 4.920 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.920 -15.657 3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.082 -17.107 3.860 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.705 -16.153 2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.277 -16.318 3.852 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.275 -14.655 3.817 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.355 -16.505 6.124 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.320 -13.417 4.711 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.661 -12.675 6.277 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.796 -15.544 8.132 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.365 -13.873 8.205 1.00 0.00 H new ATOM 488 N GLU A 31 -4.890 -14.013 1.638 1.00 0.00 N ATOM 489 CA GLU A 31 -5.613 -14.197 0.385 1.00 0.00 C ATOM 490 C GLU A 31 -5.229 -13.123 -0.628 1.00 0.00 C ATOM 491 O GLU A 31 -5.288 -13.345 -1.837 1.00 0.00 O ATOM 492 CB GLU A 31 -7.123 -14.164 0.632 1.00 0.00 C ATOM 493 CG GLU A 31 -7.634 -12.812 1.100 1.00 0.00 C ATOM 494 CD GLU A 31 -9.042 -12.881 1.657 1.00 0.00 C ATOM 495 OE1 GLU A 31 -9.350 -13.859 2.370 1.00 0.00 O ATOM 496 OE2 GLU A 31 -9.836 -11.958 1.380 1.00 0.00 O ATOM 0 H GLU A 31 -5.487 -13.856 2.450 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.340 -15.170 -0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.639 -14.439 -0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.377 -14.917 1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.964 -12.419 1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.611 -12.111 0.266 1.00 0.00 H new ATOM 503 N ASP A 32 -4.836 -11.958 -0.125 1.00 0.00 N ATOM 504 CA ASP A 32 -4.441 -10.848 -0.985 1.00 0.00 C ATOM 505 C ASP A 32 -2.951 -10.912 -1.304 1.00 0.00 C ATOM 506 O ASP A 32 -2.536 -10.647 -2.433 1.00 0.00 O ATOM 507 CB ASP A 32 -4.776 -9.513 -0.317 1.00 0.00 C ATOM 508 CG ASP A 32 -6.188 -9.053 -0.619 1.00 0.00 C ATOM 509 OD1 ASP A 32 -6.475 -8.749 -1.796 1.00 0.00 O ATOM 510 OD2 ASP A 32 -7.007 -8.998 0.322 1.00 0.00 O ATOM 0 H ASP A 32 -4.782 -11.758 0.874 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.998 -10.928 -1.919 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.651 -9.608 0.762 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.070 -8.754 -0.654 1.00 0.00 H new ATOM 515 N TYR A 33 -2.151 -11.263 -0.304 1.00 0.00 N ATOM 516 CA TYR A 33 -0.706 -11.358 -0.477 1.00 0.00 C ATOM 517 C TYR A 33 -0.354 -12.346 -1.585 1.00 0.00 C ATOM 518 O TYR A 33 0.529 -12.088 -2.403 1.00 0.00 O ATOM 519 CB TYR A 33 -0.042 -11.786 0.833 1.00 0.00 C ATOM 520 CG TYR A 33 -0.018 -10.698 1.883 1.00 0.00 C ATOM 521 CD1 TYR A 33 0.376 -9.405 1.563 1.00 0.00 C ATOM 522 CD2 TYR A 33 -0.389 -10.964 3.195 1.00 0.00 C ATOM 523 CE1 TYR A 33 0.400 -8.408 2.519 1.00 0.00 C ATOM 524 CE2 TYR A 33 -0.369 -9.973 4.158 1.00 0.00 C ATOM 525 CZ TYR A 33 0.026 -8.697 3.815 1.00 0.00 C ATOM 526 OH TYR A 33 0.048 -7.708 4.771 1.00 0.00 O ATOM 0 H TYR A 33 -2.479 -11.487 0.636 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.334 -10.374 -0.761 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.569 -12.653 1.232 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.980 -12.102 0.626 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.669 -9.175 0.549 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.698 -11.962 3.467 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.710 -7.408 2.253 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.661 -10.197 5.173 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.834 -7.642 5.194 1.00 0.00 H new ATOM 536 N GLN A 34 -1.052 -13.477 -1.605 1.00 0.00 N ATOM 537 CA GLN A 34 -0.814 -14.503 -2.612 1.00 0.00 C ATOM 538 C GLN A 34 -0.913 -13.920 -4.018 1.00 0.00 C ATOM 539 O GLN A 34 -0.343 -14.460 -4.967 1.00 0.00 O ATOM 540 CB GLN A 34 -1.815 -15.649 -2.450 1.00 0.00 C ATOM 541 CG GLN A 34 -3.260 -15.227 -2.658 1.00 0.00 C ATOM 542 CD GLN A 34 -4.159 -16.389 -3.032 1.00 0.00 C ATOM 543 OE1 GLN A 34 -4.133 -17.440 -2.393 1.00 0.00 O ATOM 544 NE2 GLN A 34 -4.962 -16.205 -4.074 1.00 0.00 N ATOM 0 H GLN A 34 -1.787 -13.705 -0.935 1.00 0.00 H new ATOM 0 HA GLN A 34 0.195 -14.889 -2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.570 -16.438 -3.161 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.709 -16.075 -1.452 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.634 -14.762 -1.746 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.305 -14.471 -3.442 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.951 -15.317 -4.576 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.589 -16.952 -4.372 1.00 0.00 H new ATOM 553 N LYS A 35 -1.640 -12.816 -4.145 1.00 0.00 N ATOM 554 CA LYS A 35 -1.815 -12.158 -5.434 1.00 0.00 C ATOM 555 C LYS A 35 -0.672 -11.185 -5.707 1.00 0.00 C ATOM 556 O LYS A 35 -0.159 -11.112 -6.825 1.00 0.00 O ATOM 557 CB LYS A 35 -3.152 -11.415 -5.474 1.00 0.00 C ATOM 558 CG LYS A 35 -3.407 -10.692 -6.786 1.00 0.00 C ATOM 559 CD LYS A 35 -4.250 -9.444 -6.580 1.00 0.00 C ATOM 560 CE LYS A 35 -5.729 -9.783 -6.471 1.00 0.00 C ATOM 561 NZ LYS A 35 -6.297 -10.211 -7.779 1.00 0.00 N ATOM 0 H LYS A 35 -2.118 -12.357 -3.370 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.810 -12.925 -6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.959 -12.126 -5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.181 -10.692 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.456 -10.418 -7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.913 -11.363 -7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.926 -8.930 -5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.093 -8.756 -7.411 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.866 -10.578 -5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.275 -8.914 -6.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.334 -10.139 -7.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.931 -9.597 -8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.024 -11.196 -7.971 1.00 0.00 H new ATOM 575 N LEU A 36 -0.276 -10.442 -4.680 1.00 0.00 N ATOM 576 CA LEU A 36 0.808 -9.474 -4.809 1.00 0.00 C ATOM 577 C LEU A 36 2.062 -10.133 -5.375 1.00 0.00 C ATOM 578 O LEU A 36 2.750 -9.559 -6.218 1.00 0.00 O ATOM 579 CB LEU A 36 1.119 -8.842 -3.451 1.00 0.00 C ATOM 580 CG LEU A 36 0.073 -7.865 -2.911 1.00 0.00 C ATOM 581 CD1 LEU A 36 0.347 -7.545 -1.450 1.00 0.00 C ATOM 582 CD2 LEU A 36 0.053 -6.592 -3.744 1.00 0.00 C ATOM 0 H LEU A 36 -0.689 -10.491 -3.749 1.00 0.00 H new ATOM 0 HA LEU A 36 0.486 -8.695 -5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.251 -9.642 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.072 -8.318 -3.526 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.908 -8.336 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.407 -6.849 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.310 -8.463 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.335 -7.094 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.697 -5.908 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.033 -6.117 -3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.192 -6.837 -4.777 1.00 0.00 H new ATOM 594 N GLU A 37 2.351 -11.343 -4.905 1.00 0.00 N ATOM 595 CA GLU A 37 3.522 -12.081 -5.366 1.00 0.00 C ATOM 596 C GLU A 37 3.373 -12.477 -6.832 1.00 0.00 C ATOM 597 O GLU A 37 4.312 -12.983 -7.446 1.00 0.00 O ATOM 598 CB GLU A 37 3.736 -13.329 -4.508 1.00 0.00 C ATOM 599 CG GLU A 37 4.816 -14.256 -5.040 1.00 0.00 C ATOM 600 CD GLU A 37 4.300 -15.200 -6.109 1.00 0.00 C ATOM 601 OE1 GLU A 37 3.168 -15.705 -5.960 1.00 0.00 O ATOM 602 OE2 GLU A 37 5.029 -15.432 -7.096 1.00 0.00 O ATOM 0 H GLU A 37 1.791 -11.832 -4.207 1.00 0.00 H new ATOM 0 HA GLU A 37 4.391 -11.430 -5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.998 -13.023 -3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.797 -13.879 -4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.632 -13.660 -5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.229 -14.837 -4.216 1.00 0.00 H new ATOM 609 N GLN A 38 2.188 -12.242 -7.385 1.00 0.00 N ATOM 610 CA GLN A 38 1.916 -12.576 -8.778 1.00 0.00 C ATOM 611 C GLN A 38 1.999 -11.335 -9.661 1.00 0.00 C ATOM 612 O GLN A 38 2.299 -11.428 -10.852 1.00 0.00 O ATOM 613 CB GLN A 38 0.534 -13.219 -8.910 1.00 0.00 C ATOM 614 CG GLN A 38 0.265 -13.805 -10.287 1.00 0.00 C ATOM 615 CD GLN A 38 -0.711 -14.964 -10.247 1.00 0.00 C ATOM 616 OE1 GLN A 38 -1.897 -14.802 -10.534 1.00 0.00 O ATOM 617 NE2 GLN A 38 -0.216 -16.144 -9.890 1.00 0.00 N ATOM 0 H GLN A 38 1.401 -11.822 -6.890 1.00 0.00 H new ATOM 0 HA GLN A 38 2.673 -13.287 -9.110 1.00 0.00 H new ATOM 0 HB2 GLN A 38 0.436 -14.007 -8.163 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.228 -12.472 -8.687 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.129 -13.025 -10.939 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.205 -14.141 -10.725 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.774 -16.233 -9.660 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.826 -16.961 -9.846 1.00 0.00 H new ATOM 626 N ILE A 39 1.730 -10.176 -9.070 1.00 0.00 N ATOM 627 CA ILE A 39 1.775 -8.917 -9.803 1.00 0.00 C ATOM 628 C ILE A 39 3.145 -8.258 -9.681 1.00 0.00 C ATOM 629 O ILE A 39 3.659 -7.684 -10.642 1.00 0.00 O ATOM 630 CB ILE A 39 0.700 -7.935 -9.303 1.00 0.00 C ATOM 631 CG1 ILE A 39 0.393 -8.190 -7.826 1.00 0.00 C ATOM 632 CG2 ILE A 39 -0.564 -8.061 -10.141 1.00 0.00 C ATOM 633 CD1 ILE A 39 -0.431 -7.097 -7.182 1.00 0.00 C ATOM 0 H ILE A 39 1.479 -10.083 -8.086 1.00 0.00 H new ATOM 0 HA ILE A 39 1.580 -9.155 -10.849 1.00 0.00 H new ATOM 0 HB ILE A 39 1.081 -6.919 -9.406 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.138 -9.137 -7.732 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.331 -8.295 -7.281 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.314 -7.360 -9.775 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.334 -7.835 -11.182 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.950 -9.078 -10.067 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.610 -7.345 -6.136 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.107 -6.151 -7.244 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.385 -7.006 -7.702 1.00 0.00 H new ATOM 645 N THR A 40 3.735 -8.347 -8.493 1.00 0.00 N ATOM 646 CA THR A 40 5.045 -7.760 -8.244 1.00 0.00 C ATOM 647 C THR A 40 6.155 -8.785 -8.453 1.00 0.00 C ATOM 648 O THR A 40 7.293 -8.429 -8.755 1.00 0.00 O ATOM 649 CB THR A 40 5.146 -7.196 -6.814 1.00 0.00 C ATOM 650 OG1 THR A 40 4.751 -8.192 -5.865 1.00 0.00 O ATOM 651 CG2 THR A 40 4.271 -5.962 -6.657 1.00 0.00 C ATOM 0 H THR A 40 3.325 -8.821 -7.688 1.00 0.00 H new ATOM 0 HA THR A 40 5.167 -6.945 -8.957 1.00 0.00 H new ATOM 0 HB THR A 40 6.182 -6.913 -6.631 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.783 -8.335 -5.925 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.358 -5.581 -5.639 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.594 -5.195 -7.361 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.232 -6.224 -6.858 1.00 0.00 H new ATOM 659 N GLY A 41 5.815 -10.060 -8.292 1.00 0.00 N ATOM 660 CA GLY A 41 6.793 -11.117 -8.468 1.00 0.00 C ATOM 661 C GLY A 41 7.746 -11.226 -7.294 1.00 0.00 C ATOM 662 O GLY A 41 8.796 -11.862 -7.394 1.00 0.00 O ATOM 0 H GLY A 41 4.879 -10.380 -8.043 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.276 -12.067 -8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.363 -10.933 -9.379 1.00 0.00 H new ATOM 666 N LEU A 42 7.382 -10.603 -6.179 1.00 0.00 N ATOM 667 CA LEU A 42 8.213 -10.632 -4.980 1.00 0.00 C ATOM 668 C LEU A 42 7.636 -11.587 -3.940 1.00 0.00 C ATOM 669 O LEU A 42 6.421 -11.712 -3.782 1.00 0.00 O ATOM 670 CB LEU A 42 8.334 -9.227 -4.386 1.00 0.00 C ATOM 671 CG LEU A 42 9.118 -8.212 -5.219 1.00 0.00 C ATOM 672 CD1 LEU A 42 8.619 -6.801 -4.949 1.00 0.00 C ATOM 673 CD2 LEU A 42 10.608 -8.319 -4.925 1.00 0.00 C ATOM 0 H LEU A 42 6.517 -10.072 -6.080 1.00 0.00 H new ATOM 0 HA LEU A 42 9.204 -10.988 -5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.330 -8.835 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.808 -9.307 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 42 8.959 -8.435 -6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.188 -6.092 -5.550 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.563 -6.732 -5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.747 -6.566 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.151 -7.590 -5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.785 -8.122 -3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.956 -9.322 -5.170 1.00 0.00 H new ATOM 685 N PRO A 43 8.526 -12.278 -3.212 1.00 0.00 N ATOM 686 CA PRO A 43 8.129 -13.232 -2.173 1.00 0.00 C ATOM 687 C PRO A 43 7.097 -12.649 -1.214 1.00 0.00 C ATOM 688 O PRO A 43 7.116 -11.453 -0.919 1.00 0.00 O ATOM 689 CB PRO A 43 9.440 -13.521 -1.437 1.00 0.00 C ATOM 690 CG PRO A 43 10.506 -13.249 -2.442 1.00 0.00 C ATOM 691 CD PRO A 43 9.989 -12.179 -3.347 1.00 0.00 C ATOM 0 HA PRO A 43 7.656 -14.119 -2.594 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.551 -12.883 -0.560 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.479 -14.553 -1.088 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.426 -12.929 -1.952 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.743 -14.151 -3.007 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.352 -11.195 -3.050 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.307 -12.339 -4.377 1.00 0.00 H new ATOM 699 N ARG A 44 6.199 -13.500 -0.730 1.00 0.00 N ATOM 700 CA ARG A 44 5.158 -13.068 0.196 1.00 0.00 C ATOM 701 C ARG A 44 5.766 -12.376 1.413 1.00 0.00 C ATOM 702 O ARG A 44 5.297 -11.330 1.862 1.00 0.00 O ATOM 703 CB ARG A 44 4.316 -14.263 0.644 1.00 0.00 C ATOM 704 CG ARG A 44 4.225 -15.368 -0.396 1.00 0.00 C ATOM 705 CD ARG A 44 2.925 -16.148 -0.269 1.00 0.00 C ATOM 706 NE ARG A 44 2.570 -16.827 -1.512 1.00 0.00 N ATOM 707 CZ ARG A 44 1.617 -17.748 -1.599 1.00 0.00 C ATOM 708 NH1 ARG A 44 0.928 -18.098 -0.522 1.00 0.00 N ATOM 709 NH2 ARG A 44 1.352 -18.322 -2.766 1.00 0.00 N ATOM 0 H ARG A 44 6.171 -14.493 -0.963 1.00 0.00 H new ATOM 0 HA ARG A 44 4.517 -12.356 -0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.740 -14.672 1.561 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.310 -13.918 0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.295 -14.936 -1.394 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.070 -16.047 -0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.020 -16.882 0.531 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.121 -15.469 0.015 1.00 0.00 H new ATOM 0 HE ARG A 44 3.082 -16.581 -2.359 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.129 -17.660 0.377 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.197 -18.806 -0.592 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.880 -18.056 -3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.620 -19.029 -2.832 1.00 0.00 H new ATOM 723 N PRO A 45 6.836 -12.973 1.960 1.00 0.00 N ATOM 724 CA PRO A 45 7.531 -12.432 3.132 1.00 0.00 C ATOM 725 C PRO A 45 8.146 -11.063 2.860 1.00 0.00 C ATOM 726 O PRO A 45 8.362 -10.277 3.782 1.00 0.00 O ATOM 727 CB PRO A 45 8.626 -13.466 3.403 1.00 0.00 C ATOM 728 CG PRO A 45 8.171 -14.695 2.695 1.00 0.00 C ATOM 729 CD PRO A 45 7.449 -14.221 1.477 1.00 0.00 C ATOM 0 HA PRO A 45 6.854 -12.278 3.972 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.592 -13.127 3.027 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.745 -13.646 4.471 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.017 -15.327 2.426 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.516 -15.292 3.330 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.127 -14.047 0.641 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.702 -14.939 1.138 1.00 0.00 H new ATOM 737 N GLU A 46 8.424 -10.786 1.590 1.00 0.00 N ATOM 738 CA GLU A 46 9.015 -9.511 1.199 1.00 0.00 C ATOM 739 C GLU A 46 7.947 -8.426 1.093 1.00 0.00 C ATOM 740 O GLU A 46 8.209 -7.254 1.362 1.00 0.00 O ATOM 741 CB GLU A 46 9.749 -9.652 -0.136 1.00 0.00 C ATOM 742 CG GLU A 46 10.931 -8.709 -0.283 1.00 0.00 C ATOM 743 CD GLU A 46 11.927 -8.840 0.853 1.00 0.00 C ATOM 744 OE1 GLU A 46 11.740 -8.164 1.886 1.00 0.00 O ATOM 745 OE2 GLU A 46 12.892 -9.619 0.710 1.00 0.00 O ATOM 0 H GLU A 46 8.250 -11.426 0.815 1.00 0.00 H new ATOM 0 HA GLU A 46 9.729 -9.219 1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.099 -10.679 -0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.046 -9.469 -0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.435 -8.909 -1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.568 -7.682 -0.327 1.00 0.00 H new ATOM 752 N ILE A 47 6.743 -8.827 0.698 1.00 0.00 N ATOM 753 CA ILE A 47 5.635 -7.890 0.557 1.00 0.00 C ATOM 754 C ILE A 47 4.960 -7.630 1.899 1.00 0.00 C ATOM 755 O ILE A 47 4.710 -6.482 2.268 1.00 0.00 O ATOM 756 CB ILE A 47 4.584 -8.408 -0.442 1.00 0.00 C ATOM 757 CG1 ILE A 47 5.263 -8.900 -1.722 1.00 0.00 C ATOM 758 CG2 ILE A 47 3.572 -7.316 -0.760 1.00 0.00 C ATOM 759 CD1 ILE A 47 4.311 -9.554 -2.698 1.00 0.00 C ATOM 0 H ILE A 47 6.510 -9.794 0.470 1.00 0.00 H new ATOM 0 HA ILE A 47 6.056 -6.958 0.179 1.00 0.00 H new ATOM 0 HB ILE A 47 4.056 -9.246 0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.751 -8.057 -2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.045 -9.611 -1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.836 -7.697 -1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.069 -7.008 0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.086 -6.460 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.861 -9.878 -3.581 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.842 -10.417 -2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.543 -8.839 -2.991 1.00 0.00 H new ATOM 771 N ILE A 48 4.669 -8.703 2.626 1.00 0.00 N ATOM 772 CA ILE A 48 4.026 -8.591 3.929 1.00 0.00 C ATOM 773 C ILE A 48 4.745 -7.576 4.812 1.00 0.00 C ATOM 774 O ILE A 48 4.124 -6.666 5.359 1.00 0.00 O ATOM 775 CB ILE A 48 3.985 -9.948 4.656 1.00 0.00 C ATOM 776 CG1 ILE A 48 3.106 -10.937 3.886 1.00 0.00 C ATOM 777 CG2 ILE A 48 3.474 -9.773 6.078 1.00 0.00 C ATOM 778 CD1 ILE A 48 3.446 -12.386 4.157 1.00 0.00 C ATOM 0 H ILE A 48 4.868 -9.660 2.335 1.00 0.00 H new ATOM 0 HA ILE A 48 3.005 -8.254 3.748 1.00 0.00 H new ATOM 0 HB ILE A 48 4.997 -10.349 4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.062 -10.762 4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.204 -10.743 2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.451 -10.741 6.578 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.136 -9.099 6.622 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.468 -9.353 6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.784 -13.030 3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.480 -12.577 3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.320 -12.597 5.219 1.00 0.00 H new ATOM 790 N GLN A 49 6.057 -7.740 4.944 1.00 0.00 N ATOM 791 CA GLN A 49 6.861 -6.837 5.760 1.00 0.00 C ATOM 792 C GLN A 49 6.783 -5.409 5.229 1.00 0.00 C ATOM 793 O GLN A 49 6.617 -4.461 5.996 1.00 0.00 O ATOM 794 CB GLN A 49 8.317 -7.304 5.790 1.00 0.00 C ATOM 795 CG GLN A 49 9.102 -6.771 6.978 1.00 0.00 C ATOM 796 CD GLN A 49 10.490 -7.373 7.078 1.00 0.00 C ATOM 797 OE1 GLN A 49 11.307 -7.232 6.168 1.00 0.00 O ATOM 798 NE2 GLN A 49 10.764 -8.049 8.188 1.00 0.00 N ATOM 0 H GLN A 49 6.586 -8.489 4.497 1.00 0.00 H new ATOM 0 HA GLN A 49 6.462 -6.850 6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.340 -8.394 5.809 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.810 -6.991 4.869 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.185 -5.687 6.897 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.552 -6.981 7.896 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.056 -8.141 8.917 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.682 -8.476 8.311 1.00 0.00 H new ATOM 807 N TRP A 50 6.903 -5.265 3.914 1.00 0.00 N ATOM 808 CA TRP A 50 6.847 -3.952 3.282 1.00 0.00 C ATOM 809 C TRP A 50 5.704 -3.121 3.854 1.00 0.00 C ATOM 810 O TRP A 50 5.901 -1.978 4.267 1.00 0.00 O ATOM 811 CB TRP A 50 6.679 -4.099 1.769 1.00 0.00 C ATOM 812 CG TRP A 50 6.600 -2.787 1.049 1.00 0.00 C ATOM 813 CD1 TRP A 50 7.637 -2.096 0.489 1.00 0.00 C ATOM 814 CD2 TRP A 50 5.423 -2.007 0.814 1.00 0.00 C ATOM 815 NE1 TRP A 50 7.174 -0.934 -0.080 1.00 0.00 N ATOM 816 CE2 TRP A 50 5.819 -0.856 0.106 1.00 0.00 C ATOM 817 CE3 TRP A 50 4.072 -2.170 1.132 1.00 0.00 C ATOM 818 CZ2 TRP A 50 4.913 0.125 -0.288 1.00 0.00 C ATOM 819 CZ3 TRP A 50 3.173 -1.195 0.741 1.00 0.00 C ATOM 820 CH2 TRP A 50 3.597 -0.061 0.037 1.00 0.00 C ATOM 0 H TRP A 50 7.040 -6.040 3.265 1.00 0.00 H new ATOM 0 HA TRP A 50 7.785 -3.436 3.488 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.516 -4.673 1.372 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.774 -4.672 1.565 1.00 0.00 H new ATOM 0 HD1 TRP A 50 8.669 -2.416 0.493 1.00 0.00 H new ATOM 0 HE1 TRP A 50 7.747 -0.242 -0.563 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.736 -3.042 1.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 5.237 1.001 -0.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 2.127 -1.310 0.982 1.00 0.00 H new ATOM 0 HH2 TRP A 50 2.870 0.682 -0.255 1.00 0.00 H new ATOM 831 N PHE A 51 4.508 -3.702 3.876 1.00 0.00 N ATOM 832 CA PHE A 51 3.333 -3.013 4.397 1.00 0.00 C ATOM 833 C PHE A 51 3.622 -2.406 5.767 1.00 0.00 C ATOM 834 O PHE A 51 3.243 -1.269 6.046 1.00 0.00 O ATOM 835 CB PHE A 51 2.151 -3.980 4.495 1.00 0.00 C ATOM 836 CG PHE A 51 1.368 -4.099 3.218 1.00 0.00 C ATOM 837 CD1 PHE A 51 1.806 -4.926 2.196 1.00 0.00 C ATOM 838 CD2 PHE A 51 0.195 -3.384 3.041 1.00 0.00 C ATOM 839 CE1 PHE A 51 1.087 -5.038 1.021 1.00 0.00 C ATOM 840 CE2 PHE A 51 -0.528 -3.493 1.868 1.00 0.00 C ATOM 841 CZ PHE A 51 -0.081 -4.320 0.856 1.00 0.00 C ATOM 0 H PHE A 51 4.328 -4.648 3.539 1.00 0.00 H new ATOM 0 HA PHE A 51 3.079 -2.208 3.708 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.520 -4.965 4.779 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.485 -3.648 5.291 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.719 -5.489 2.319 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.159 -2.734 3.828 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.438 -5.687 0.232 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.442 -2.932 1.743 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.644 -4.405 -0.062 1.00 0.00 H new ATOM 851 N GLY A 52 4.296 -3.173 6.618 1.00 0.00 N ATOM 852 CA GLY A 52 4.624 -2.695 7.949 1.00 0.00 C ATOM 853 C GLY A 52 5.422 -1.407 7.921 1.00 0.00 C ATOM 854 O GLY A 52 4.995 -0.392 8.471 1.00 0.00 O ATOM 0 H GLY A 52 4.621 -4.117 6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.704 -2.537 8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.193 -3.460 8.477 1.00 0.00 H new ATOM 858 N ASP A 53 6.586 -1.448 7.281 1.00 0.00 N ATOM 859 CA ASP A 53 7.447 -0.275 7.185 1.00 0.00 C ATOM 860 C ASP A 53 6.705 0.893 6.541 1.00 0.00 C ATOM 861 O ASP A 53 6.957 2.055 6.861 1.00 0.00 O ATOM 862 CB ASP A 53 8.704 -0.603 6.378 1.00 0.00 C ATOM 863 CG ASP A 53 9.744 -1.338 7.200 1.00 0.00 C ATOM 864 OD1 ASP A 53 9.371 -1.942 8.228 1.00 0.00 O ATOM 865 OD2 ASP A 53 10.932 -1.309 6.816 1.00 0.00 O ATOM 0 H ASP A 53 6.955 -2.281 6.821 1.00 0.00 H new ATOM 0 HA ASP A 53 7.738 0.015 8.195 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.430 -1.211 5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.136 0.320 5.992 1.00 0.00 H new ATOM 870 N THR A 54 5.789 0.576 5.631 1.00 0.00 N ATOM 871 CA THR A 54 5.013 1.598 4.941 1.00 0.00 C ATOM 872 C THR A 54 4.214 2.441 5.928 1.00 0.00 C ATOM 873 O THR A 54 4.095 3.656 5.767 1.00 0.00 O ATOM 874 CB THR A 54 4.046 0.972 3.917 1.00 0.00 C ATOM 875 OG1 THR A 54 4.778 0.191 2.966 1.00 0.00 O ATOM 876 CG2 THR A 54 3.254 2.050 3.193 1.00 0.00 C ATOM 0 H THR A 54 5.567 -0.381 5.355 1.00 0.00 H new ATOM 0 HA THR A 54 5.724 2.235 4.416 1.00 0.00 H new ATOM 0 HB THR A 54 3.348 0.329 4.454 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.240 0.074 2.155 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.578 1.585 2.475 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.676 2.624 3.917 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.940 2.714 2.667 1.00 0.00 H new ATOM 884 N ARG A 55 3.668 1.790 6.949 1.00 0.00 N ATOM 885 CA ARG A 55 2.879 2.481 7.962 1.00 0.00 C ATOM 886 C ARG A 55 3.722 3.526 8.687 1.00 0.00 C ATOM 887 O ARG A 55 3.316 4.681 8.822 1.00 0.00 O ATOM 888 CB ARG A 55 2.313 1.478 8.970 1.00 0.00 C ATOM 889 CG ARG A 55 1.063 0.765 8.482 1.00 0.00 C ATOM 890 CD ARG A 55 0.311 0.111 9.631 1.00 0.00 C ATOM 891 NE ARG A 55 0.038 1.053 10.713 1.00 0.00 N ATOM 892 CZ ARG A 55 -0.997 1.886 10.718 1.00 0.00 C ATOM 893 NH1 ARG A 55 -1.851 1.894 9.704 1.00 0.00 N ATOM 894 NH2 ARG A 55 -1.178 2.714 11.739 1.00 0.00 N ATOM 0 H ARG A 55 3.757 0.785 7.097 1.00 0.00 H new ATOM 0 HA ARG A 55 2.054 2.988 7.461 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.078 0.736 9.200 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.084 1.999 9.900 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.410 1.477 7.977 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.338 0.008 7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.629 -0.300 9.262 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.894 -0.725 10.017 1.00 0.00 H new ATOM 0 HE ARG A 55 0.677 1.072 11.508 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.714 1.259 8.917 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.645 2.535 9.711 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.522 2.711 12.520 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.973 3.353 11.742 1.00 0.00 H new ATOM 908 N TYR A 56 4.896 3.113 9.153 1.00 0.00 N ATOM 909 CA TYR A 56 5.794 4.013 9.866 1.00 0.00 C ATOM 910 C TYR A 56 5.991 5.313 9.093 1.00 0.00 C ATOM 911 O TYR A 56 5.689 6.397 9.592 1.00 0.00 O ATOM 912 CB TYR A 56 7.146 3.337 10.101 1.00 0.00 C ATOM 913 CG TYR A 56 8.300 4.309 10.197 1.00 0.00 C ATOM 914 CD1 TYR A 56 8.572 4.981 11.382 1.00 0.00 C ATOM 915 CD2 TYR A 56 9.120 4.554 9.102 1.00 0.00 C ATOM 916 CE1 TYR A 56 9.626 5.870 11.474 1.00 0.00 C ATOM 917 CE2 TYR A 56 10.176 5.441 9.185 1.00 0.00 C ATOM 918 CZ TYR A 56 10.425 6.096 10.372 1.00 0.00 C ATOM 919 OH TYR A 56 11.476 6.980 10.460 1.00 0.00 O ATOM 0 H TYR A 56 5.247 2.161 9.050 1.00 0.00 H new ATOM 0 HA TYR A 56 5.340 4.250 10.829 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.096 2.753 11.020 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.339 2.636 9.289 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.949 4.806 12.246 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.928 4.042 8.170 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.823 6.385 12.403 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.803 5.620 8.324 1.00 0.00 H new ATOM 0 HH TYR A 56 11.939 7.024 9.598 1.00 0.00 H new ATOM 929 N ALA A 57 6.498 5.196 7.870 1.00 0.00 N ATOM 930 CA ALA A 57 6.732 6.361 7.026 1.00 0.00 C ATOM 931 C ALA A 57 5.487 7.235 6.938 1.00 0.00 C ATOM 932 O ALA A 57 5.539 8.437 7.205 1.00 0.00 O ATOM 933 CB ALA A 57 7.172 5.924 5.636 1.00 0.00 C ATOM 0 H ALA A 57 6.754 4.306 7.442 1.00 0.00 H new ATOM 0 HA ALA A 57 7.527 6.953 7.479 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.344 6.803 5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 57 8.094 5.347 5.711 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.394 5.308 5.185 1.00 0.00 H new ATOM 939 N LEU A 58 4.367 6.627 6.562 1.00 0.00 N ATOM 940 CA LEU A 58 3.107 7.351 6.439 1.00 0.00 C ATOM 941 C LEU A 58 2.813 8.151 7.703 1.00 0.00 C ATOM 942 O LEU A 58 2.345 9.288 7.637 1.00 0.00 O ATOM 943 CB LEU A 58 1.961 6.377 6.160 1.00 0.00 C ATOM 944 CG LEU A 58 0.551 6.908 6.417 1.00 0.00 C ATOM 945 CD1 LEU A 58 0.138 7.881 5.324 1.00 0.00 C ATOM 946 CD2 LEU A 58 -0.442 5.758 6.514 1.00 0.00 C ATOM 0 H LEU A 58 4.306 5.634 6.337 1.00 0.00 H new ATOM 0 HA LEU A 58 3.196 8.046 5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.024 6.062 5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.110 5.487 6.772 1.00 0.00 H new ATOM 0 HG LEU A 58 0.553 7.442 7.367 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.869 8.248 5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.833 8.721 5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.153 7.373 4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.441 6.154 6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.440 5.196 5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.157 5.099 7.334 1.00 0.00 H new ATOM 958 N LYS A 59 3.091 7.551 8.855 1.00 0.00 N ATOM 959 CA LYS A 59 2.860 8.207 10.137 1.00 0.00 C ATOM 960 C LYS A 59 3.764 9.426 10.294 1.00 0.00 C ATOM 961 O LYS A 59 3.311 10.500 10.692 1.00 0.00 O ATOM 962 CB LYS A 59 3.103 7.227 11.286 1.00 0.00 C ATOM 963 CG LYS A 59 3.068 7.878 12.658 1.00 0.00 C ATOM 964 CD LYS A 59 3.979 7.160 13.640 1.00 0.00 C ATOM 965 CE LYS A 59 3.511 7.347 15.075 1.00 0.00 C ATOM 966 NZ LYS A 59 3.871 6.183 15.931 1.00 0.00 N ATOM 0 H LYS A 59 3.477 6.610 8.928 1.00 0.00 H new ATOM 0 HA LYS A 59 1.822 8.539 10.165 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.350 6.440 11.247 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.072 6.748 11.145 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.372 8.921 12.574 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.046 7.873 13.038 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.007 6.097 13.401 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.996 7.537 13.536 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.956 8.253 15.487 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.430 7.488 15.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.535 6.348 16.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.426 5.323 15.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.904 6.064 15.938 1.00 0.00 H new ATOM 980 N HIS A 60 5.043 9.253 9.979 1.00 0.00 N ATOM 981 CA HIS A 60 6.010 10.340 10.084 1.00 0.00 C ATOM 982 C HIS A 60 5.910 11.274 8.881 1.00 0.00 C ATOM 983 O HIS A 60 6.668 12.236 8.765 1.00 0.00 O ATOM 984 CB HIS A 60 7.429 9.780 10.193 1.00 0.00 C ATOM 985 CG HIS A 60 7.677 9.020 11.460 1.00 0.00 C ATOM 986 ND1 HIS A 60 7.563 7.700 11.737 1.00 0.00 N flip ATOM 987 CD2 HIS A 60 8.093 9.621 12.629 1.00 0.00 C flip ATOM 988 CE1 HIS A 60 7.910 7.529 13.054 1.00 0.00 C flip ATOM 989 NE2 HIS A 60 8.226 8.703 13.570 1.00 0.00 N flip ATOM 0 H HIS A 60 5.434 8.371 9.649 1.00 0.00 H new ATOM 0 HA HIS A 60 5.782 10.910 10.985 1.00 0.00 H new ATOM 0 HB2 HIS A 60 7.619 9.125 9.343 1.00 0.00 H new ATOM 0 HB3 HIS A 60 8.141 10.602 10.127 1.00 0.00 H new ATOM 0 HD1 HIS A 60 7.273 6.969 11.088 1.00 0.00 H new ATOM 0 HD2 HIS A 60 8.281 10.677 12.756 1.00 0.00 H new ATOM 0 HE1 HIS A 60 7.923 6.587 13.583 1.00 0.00 H new ATOM 998 N GLY A 61 4.970 10.982 7.988 1.00 0.00 N ATOM 999 CA GLY A 61 4.789 11.804 6.806 1.00 0.00 C ATOM 1000 C GLY A 61 5.948 11.688 5.836 1.00 0.00 C ATOM 1001 O GLY A 61 6.504 12.695 5.400 1.00 0.00 O ATOM 0 H GLY A 61 4.330 10.191 8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.867 11.513 6.302 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.673 12.846 7.106 1.00 0.00 H new ATOM 1005 N GLN A 62 6.314 10.455 5.499 1.00 0.00 N ATOM 1006 CA GLN A 62 7.417 10.211 4.576 1.00 0.00 C ATOM 1007 C GLN A 62 6.896 9.854 3.188 1.00 0.00 C ATOM 1008 O GLN A 62 7.442 10.294 2.176 1.00 0.00 O ATOM 1009 CB GLN A 62 8.312 9.089 5.103 1.00 0.00 C ATOM 1010 CG GLN A 62 9.363 9.563 6.093 1.00 0.00 C ATOM 1011 CD GLN A 62 10.032 10.853 5.661 1.00 0.00 C ATOM 1012 OE1 GLN A 62 10.949 10.846 4.840 1.00 0.00 O ATOM 1013 NE2 GLN A 62 9.575 11.971 6.214 1.00 0.00 N ATOM 0 H GLN A 62 5.863 9.610 5.851 1.00 0.00 H new ATOM 0 HA GLN A 62 8.003 11.127 4.499 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.689 8.333 5.581 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.809 8.607 4.261 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.899 9.708 7.068 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.120 8.788 6.212 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.813 11.931 6.891 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.986 12.870 5.962 1.00 0.00 H new ATOM 1022 N LEU A 63 5.837 9.052 3.148 1.00 0.00 N ATOM 1023 CA LEU A 63 5.242 8.634 1.883 1.00 0.00 C ATOM 1024 C LEU A 63 4.934 9.840 1.002 1.00 0.00 C ATOM 1025 O LEU A 63 4.029 10.622 1.295 1.00 0.00 O ATOM 1026 CB LEU A 63 3.964 7.834 2.138 1.00 0.00 C ATOM 1027 CG LEU A 63 4.136 6.321 2.281 1.00 0.00 C ATOM 1028 CD1 LEU A 63 5.234 6.001 3.282 1.00 0.00 C ATOM 1029 CD2 LEU A 63 2.824 5.672 2.700 1.00 0.00 C ATOM 0 H LEU A 63 5.373 8.679 3.976 1.00 0.00 H new ATOM 0 HA LEU A 63 5.961 8.001 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.497 8.214 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.270 8.025 1.319 1.00 0.00 H new ATOM 0 HG LEU A 63 4.426 5.915 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.342 4.920 3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.175 6.433 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.974 6.420 4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.965 4.596 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.504 6.084 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.062 5.872 1.946 1.00 0.00 H new ATOM 1041 N LYS A 64 5.690 9.983 -0.081 1.00 0.00 N ATOM 1042 CA LYS A 64 5.496 11.092 -1.009 1.00 0.00 C ATOM 1043 C LYS A 64 4.261 10.867 -1.875 1.00 0.00 C ATOM 1044 O LYS A 64 3.719 11.807 -2.455 1.00 0.00 O ATOM 1045 CB LYS A 64 6.731 11.262 -1.897 1.00 0.00 C ATOM 1046 CG LYS A 64 6.977 10.087 -2.828 1.00 0.00 C ATOM 1047 CD LYS A 64 6.275 10.276 -4.162 1.00 0.00 C ATOM 1048 CE LYS A 64 7.009 11.276 -5.042 1.00 0.00 C ATOM 1049 NZ LYS A 64 6.099 11.919 -6.030 1.00 0.00 N ATOM 0 H LYS A 64 6.443 9.345 -0.338 1.00 0.00 H new ATOM 0 HA LYS A 64 5.348 12.000 -0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.619 12.169 -2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.607 11.403 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.048 9.970 -2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.625 9.169 -2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.207 9.318 -4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.255 10.620 -3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.466 12.043 -4.417 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.818 10.770 -5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.637 12.593 -6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.682 11.190 -6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.341 12.423 -5.527 1.00 0.00 H new ATOM 1063 N TRP A 65 3.822 9.616 -1.957 1.00 0.00 N ATOM 1064 CA TRP A 65 2.649 9.269 -2.752 1.00 0.00 C ATOM 1065 C TRP A 65 1.397 9.222 -1.883 1.00 0.00 C ATOM 1066 O TRP A 65 0.292 9.490 -2.355 1.00 0.00 O ATOM 1067 CB TRP A 65 2.857 7.919 -3.441 1.00 0.00 C ATOM 1068 CG TRP A 65 3.478 6.886 -2.551 1.00 0.00 C ATOM 1069 CD1 TRP A 65 4.808 6.733 -2.278 1.00 0.00 C ATOM 1070 CD2 TRP A 65 2.796 5.863 -1.819 1.00 0.00 C ATOM 1071 NE1 TRP A 65 4.992 5.675 -1.420 1.00 0.00 N ATOM 1072 CE2 TRP A 65 3.774 5.125 -1.123 1.00 0.00 C ATOM 1073 CE3 TRP A 65 1.453 5.499 -1.682 1.00 0.00 C ATOM 1074 CZ2 TRP A 65 3.449 4.046 -0.305 1.00 0.00 C ATOM 1075 CZ3 TRP A 65 1.134 4.427 -0.870 1.00 0.00 C ATOM 1076 CH2 TRP A 65 2.128 3.712 -0.189 1.00 0.00 C ATOM 0 H TRP A 65 4.260 8.826 -1.483 1.00 0.00 H new ATOM 0 HA TRP A 65 2.513 10.040 -3.510 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.896 7.550 -3.798 1.00 0.00 H new ATOM 0 HB3 TRP A 65 3.489 8.060 -4.317 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.598 7.352 -2.677 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.891 5.352 -1.062 1.00 0.00 H new ATOM 0 HE3 TRP A 65 0.679 6.045 -2.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 4.214 3.492 0.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.100 4.135 -0.758 1.00 0.00 H new ATOM 0 HH2 TRP A 65 1.845 2.881 0.440 1.00 0.00 H new ATOM 1087 N PHE A 66 1.577 8.882 -0.611 1.00 0.00 N ATOM 1088 CA PHE A 66 0.461 8.800 0.324 1.00 0.00 C ATOM 1089 C PHE A 66 0.155 10.168 0.927 1.00 0.00 C ATOM 1090 O PHE A 66 1.054 10.983 1.130 1.00 0.00 O ATOM 1091 CB PHE A 66 0.772 7.797 1.437 1.00 0.00 C ATOM 1092 CG PHE A 66 -0.454 7.206 2.072 1.00 0.00 C ATOM 1093 CD1 PHE A 66 -1.277 7.981 2.873 1.00 0.00 C ATOM 1094 CD2 PHE A 66 -0.783 5.876 1.869 1.00 0.00 C ATOM 1095 CE1 PHE A 66 -2.406 7.441 3.459 1.00 0.00 C ATOM 1096 CE2 PHE A 66 -1.911 5.330 2.451 1.00 0.00 C ATOM 1097 CZ PHE A 66 -2.723 6.114 3.248 1.00 0.00 C ATOM 0 H PHE A 66 2.485 8.659 -0.204 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.417 8.460 -0.226 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.384 6.992 1.029 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.367 8.292 2.205 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.033 9.020 3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.150 5.258 1.249 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.039 8.056 4.081 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.158 4.292 2.283 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.604 5.689 3.705 1.00 0.00 H new ATOM 1107 N ARG A 67 -1.120 10.411 1.211 1.00 0.00 N ATOM 1108 CA ARG A 67 -1.546 11.680 1.789 1.00 0.00 C ATOM 1109 C ARG A 67 -0.589 12.123 2.892 1.00 0.00 C ATOM 1110 O ARG A 67 -0.639 11.615 4.012 1.00 0.00 O ATOM 1111 CB ARG A 67 -2.965 11.560 2.348 1.00 0.00 C ATOM 1112 CG ARG A 67 -4.050 11.796 1.311 1.00 0.00 C ATOM 1113 CD ARG A 67 -4.258 10.572 0.433 1.00 0.00 C ATOM 1114 NE ARG A 67 -5.606 10.523 -0.128 1.00 0.00 N ATOM 1115 CZ ARG A 67 -6.694 10.285 0.596 1.00 0.00 C ATOM 1116 NH1 ARG A 67 -6.594 10.076 1.901 1.00 0.00 N ATOM 1117 NH2 ARG A 67 -7.886 10.257 0.013 1.00 0.00 N ATOM 0 H ARG A 67 -1.876 9.746 1.050 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.537 12.431 1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.094 10.566 2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.088 12.277 3.160 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.985 12.049 1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.781 12.650 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.528 10.579 -0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.076 9.671 1.019 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.718 10.680 -1.130 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.680 10.098 2.352 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.431 9.894 2.454 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.967 10.418 -0.991 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.721 10.074 0.569 1.00 0.00 H new ATOM 1131 N ASP A 68 0.282 13.072 2.566 1.00 0.00 N ATOM 1132 CA ASP A 68 1.250 13.584 3.529 1.00 0.00 C ATOM 1133 C ASP A 68 0.718 14.833 4.224 1.00 0.00 C ATOM 1134 O ASP A 68 0.914 15.951 3.748 1.00 0.00 O ATOM 1135 CB ASP A 68 2.576 13.898 2.834 1.00 0.00 C ATOM 1136 CG ASP A 68 2.381 14.616 1.513 1.00 0.00 C ATOM 1137 OD1 ASP A 68 1.501 15.500 1.443 1.00 0.00 O ATOM 1138 OD2 ASP A 68 3.107 14.295 0.549 1.00 0.00 O ATOM 0 H ASP A 68 0.337 13.502 1.643 1.00 0.00 H new ATOM 0 HA ASP A 68 1.417 12.814 4.283 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.191 14.513 3.491 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.122 12.970 2.663 1.00 0.00 H new ATOM 1143 N ASN A 69 0.042 14.634 5.351 1.00 0.00 N ATOM 1144 CA ASN A 69 -0.521 15.745 6.110 1.00 0.00 C ATOM 1145 C ASN A 69 0.079 15.805 7.512 1.00 0.00 C ATOM 1146 O ASN A 69 -0.528 15.346 8.478 1.00 0.00 O ATOM 1147 CB ASN A 69 -2.042 15.610 6.200 1.00 0.00 C ATOM 1148 CG ASN A 69 -2.723 15.838 4.865 1.00 0.00 C ATOM 1149 OD1 ASN A 69 -2.998 14.892 4.126 1.00 0.00 O ATOM 1150 ND2 ASN A 69 -2.997 17.098 4.548 1.00 0.00 N ATOM 0 H ASN A 69 -0.129 13.715 5.759 1.00 0.00 H new ATOM 0 HA ASN A 69 -0.275 16.670 5.588 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -2.294 14.616 6.568 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.425 16.326 6.927 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.453 17.313 3.662 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.751 17.851 5.191 1.00 0.00 H new ATOM 1157 N ALA A 70 1.276 16.376 7.613 1.00 0.00 N ATOM 1158 CA ALA A 70 1.957 16.499 8.896 1.00 0.00 C ATOM 1159 C ALA A 70 1.474 17.727 9.659 1.00 0.00 C ATOM 1160 O ALA A 70 2.250 18.385 10.351 1.00 0.00 O ATOM 1161 CB ALA A 70 3.463 16.562 8.690 1.00 0.00 C ATOM 0 H ALA A 70 1.793 16.760 6.822 1.00 0.00 H new ATOM 0 HA ALA A 70 1.719 15.617 9.491 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.959 16.654 9.656 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.801 15.652 8.194 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.710 17.425 8.072 1.00 0.00 H new ATOM 1167 N SER A 71 0.186 18.032 9.527 1.00 0.00 N ATOM 1168 CA SER A 71 -0.399 19.185 10.200 1.00 0.00 C ATOM 1169 C SER A 71 -1.797 18.859 10.719 1.00 0.00 C ATOM 1170 O SER A 71 -2.535 18.090 10.106 1.00 0.00 O ATOM 1171 CB SER A 71 -0.463 20.380 9.248 1.00 0.00 C ATOM 1172 OG SER A 71 -1.060 21.502 9.876 1.00 0.00 O ATOM 0 H SER A 71 -0.471 17.496 8.960 1.00 0.00 H new ATOM 0 HA SER A 71 0.236 19.440 11.049 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.542 20.638 8.915 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.034 20.111 8.359 1.00 0.00 H new ATOM 0 HG SER A 71 -1.087 22.253 9.247 1.00 0.00 H new ATOM 1178 N GLY A 72 -2.152 19.450 11.856 1.00 0.00 N ATOM 1179 CA GLY A 72 -3.458 19.211 12.440 1.00 0.00 C ATOM 1180 C GLY A 72 -3.374 18.509 13.782 1.00 0.00 C ATOM 1181 O GLY A 72 -2.351 17.924 14.137 1.00 0.00 O ATOM 0 H GLY A 72 -1.558 20.090 12.383 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.977 20.162 12.563 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.054 18.608 11.755 1.00 0.00 H new ATOM 1185 N PRO A 73 -4.470 18.566 14.553 1.00 0.00 N ATOM 1186 CA PRO A 73 -4.541 17.937 15.875 1.00 0.00 C ATOM 1187 C PRO A 73 -4.557 16.415 15.794 1.00 0.00 C ATOM 1188 O PRO A 73 -5.597 15.808 15.539 1.00 0.00 O ATOM 1189 CB PRO A 73 -5.863 18.456 16.445 1.00 0.00 C ATOM 1190 CG PRO A 73 -6.690 18.780 15.248 1.00 0.00 C ATOM 1191 CD PRO A 73 -5.725 19.247 14.193 1.00 0.00 C ATOM 0 HA PRO A 73 -3.673 18.179 16.488 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.347 17.705 17.069 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.707 19.336 17.069 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.246 17.906 14.909 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.422 19.554 15.477 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.059 18.972 13.193 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.611 20.331 14.204 1.00 0.00 H new ATOM 1199 N SER A 74 -3.397 15.803 16.012 1.00 0.00 N ATOM 1200 CA SER A 74 -3.278 14.350 15.959 1.00 0.00 C ATOM 1201 C SER A 74 -4.428 13.683 16.707 1.00 0.00 C ATOM 1202 O SER A 74 -5.116 12.817 16.166 1.00 0.00 O ATOM 1203 CB SER A 74 -1.941 13.905 16.556 1.00 0.00 C ATOM 1204 OG SER A 74 -1.665 12.553 16.236 1.00 0.00 O ATOM 0 H SER A 74 -2.527 16.290 16.227 1.00 0.00 H new ATOM 0 HA SER A 74 -3.322 14.044 14.914 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.141 14.542 16.179 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.963 14.029 17.639 1.00 0.00 H new ATOM 0 HG SER A 74 -0.805 12.293 16.627 1.00 0.00 H new ATOM 1210 N SER A 75 -4.631 14.093 17.955 1.00 0.00 N ATOM 1211 CA SER A 75 -5.696 13.534 18.780 1.00 0.00 C ATOM 1212 C SER A 75 -7.046 13.653 18.080 1.00 0.00 C ATOM 1213 O SER A 75 -7.583 14.749 17.925 1.00 0.00 O ATOM 1214 CB SER A 75 -5.746 14.244 20.135 1.00 0.00 C ATOM 1215 OG SER A 75 -6.536 13.518 21.061 1.00 0.00 O ATOM 0 H SER A 75 -4.072 14.810 18.417 1.00 0.00 H new ATOM 0 HA SER A 75 -5.482 12.477 18.939 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.735 14.360 20.526 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.156 15.246 20.009 1.00 0.00 H new ATOM 0 HG SER A 75 -6.551 13.991 21.919 1.00 0.00 H new ATOM 1221 N GLY A 76 -7.589 12.515 17.658 1.00 0.00 N ATOM 1222 CA GLY A 76 -8.872 12.513 16.979 1.00 0.00 C ATOM 1223 C GLY A 76 -9.909 11.677 17.701 1.00 0.00 C ATOM 1224 O GLY A 76 -10.205 11.918 18.871 1.00 0.00 O ATOM 0 H GLY A 76 -7.164 11.595 17.774 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.234 13.537 16.890 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.743 12.131 15.966 1.00 0.00 H new TER 1228 GLY A 76