USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=21 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= -0.307 USER MOD Set 1.2: A 14 GLN : amide:sc= -1.75! C(o=-2.1!,f=-5.3!) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0754 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 44:sc= 1.08 USER MOD Single : A 5 SER OG : rot 36:sc= 0.68 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -128:sc= 0.35 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -175:sc= -0.16 (180deg=-0.339) USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= -0.0614 (180deg=-0.32) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -71:sc= 1.29 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 25 CYS SG : rot 30:sc= 0.352 USER MOD Single : A 26 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.2) USER MOD Single : A 33 TYR OH : rot 109:sc= 0.646 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 35 LYS NZ :NH3+ 144:sc= -0.589 (180deg=-2.15) USER MOD Single : A 38 GLN : amide:sc= -0.0212 X(o=-0.021,f=-0.021) USER MOD Single : A 40 THR OG1 : rot -61:sc= 1.24 USER MOD Single : A 49 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.5!) USER MOD Single : A 54 THR OG1 : rot 71:sc= 0.949 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 156:sc= -0.069 (180deg=-0.35) USER MOD Single : A 60 HIS : no HD1:sc= -3.31 K(o=-3.3,f=-1.5) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -165:sc=-0.00851 (180deg=-0.144) USER MOD Single : A 69 ASN : amide:sc= -0.668 X(o=-0.67,f=-0.6) 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 20.922 -19.425 -1.032 1.00 0.00 N ATOM 2 CA GLY A 1 20.427 -18.061 -1.063 1.00 0.00 C ATOM 3 C GLY A 1 21.525 -17.041 -0.836 1.00 0.00 C ATOM 4 O GLY A 1 22.636 -17.393 -0.440 1.00 0.00 O ATOM 0 H1 GLY A 1 20.775 -19.869 -1.961 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.937 -19.421 -0.807 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.408 -19.964 -0.306 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.953 -17.872 -2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.658 -17.939 -0.300 1.00 0.00 H new ATOM 8 N SER A 2 21.214 -15.773 -1.087 1.00 0.00 N ATOM 9 CA SER A 2 22.185 -14.699 -0.912 1.00 0.00 C ATOM 10 C SER A 2 22.203 -14.213 0.534 1.00 0.00 C ATOM 11 O SER A 2 21.370 -13.402 0.938 1.00 0.00 O ATOM 12 CB SER A 2 21.862 -13.534 -1.850 1.00 0.00 C ATOM 13 OG SER A 2 22.013 -13.914 -3.207 1.00 0.00 O ATOM 0 H SER A 2 20.298 -15.464 -1.412 1.00 0.00 H new ATOM 0 HA SER A 2 23.172 -15.091 -1.157 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.841 -13.195 -1.676 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.519 -12.693 -1.630 1.00 0.00 H new ATOM 0 HG SER A 2 21.799 -13.153 -3.786 1.00 0.00 H new ATOM 19 N SER A 3 23.159 -14.716 1.308 1.00 0.00 N ATOM 20 CA SER A 3 23.285 -14.337 2.711 1.00 0.00 C ATOM 21 C SER A 3 24.147 -13.088 2.861 1.00 0.00 C ATOM 22 O SER A 3 25.374 -13.158 2.820 1.00 0.00 O ATOM 23 CB SER A 3 23.888 -15.487 3.520 1.00 0.00 C ATOM 24 OG SER A 3 25.205 -15.779 3.086 1.00 0.00 O ATOM 0 H SER A 3 23.858 -15.387 0.988 1.00 0.00 H new ATOM 0 HA SER A 3 22.288 -14.117 3.093 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.900 -15.225 4.578 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.263 -16.374 3.419 1.00 0.00 H new ATOM 0 HG SER A 3 25.697 -14.943 2.950 1.00 0.00 H new ATOM 30 N GLY A 4 23.494 -11.943 3.035 1.00 0.00 N ATOM 31 CA GLY A 4 24.215 -10.693 3.189 1.00 0.00 C ATOM 32 C GLY A 4 23.794 -9.652 2.170 1.00 0.00 C ATOM 33 O GLY A 4 24.188 -9.718 1.006 1.00 0.00 O ATOM 0 H GLY A 4 22.478 -11.859 3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.049 -10.302 4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.285 -10.880 3.093 1.00 0.00 H new ATOM 37 N SER A 5 22.990 -8.689 2.609 1.00 0.00 N ATOM 38 CA SER A 5 22.511 -7.632 1.725 1.00 0.00 C ATOM 39 C SER A 5 22.021 -6.432 2.530 1.00 0.00 C ATOM 40 O SER A 5 21.857 -6.512 3.748 1.00 0.00 O ATOM 41 CB SER A 5 21.385 -8.156 0.832 1.00 0.00 C ATOM 42 OG SER A 5 21.901 -8.710 -0.366 1.00 0.00 O ATOM 0 H SER A 5 22.657 -8.619 3.570 1.00 0.00 H new ATOM 0 HA SER A 5 23.343 -7.312 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.812 -8.912 1.369 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.697 -7.344 0.595 1.00 0.00 H new ATOM 0 HG SER A 5 22.754 -9.155 -0.180 1.00 0.00 H new ATOM 48 N SER A 6 21.788 -5.320 1.840 1.00 0.00 N ATOM 49 CA SER A 6 21.320 -4.101 2.490 1.00 0.00 C ATOM 50 C SER A 6 19.906 -4.284 3.034 1.00 0.00 C ATOM 51 O SER A 6 19.657 -4.093 4.224 1.00 0.00 O ATOM 52 CB SER A 6 21.352 -2.929 1.507 1.00 0.00 C ATOM 53 OG SER A 6 20.719 -1.786 2.055 1.00 0.00 O ATOM 0 H SER A 6 21.916 -5.238 0.831 1.00 0.00 H new ATOM 0 HA SER A 6 21.987 -3.885 3.325 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.385 -2.690 1.254 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.855 -3.214 0.580 1.00 0.00 H new ATOM 0 HG SER A 6 20.754 -1.051 1.408 1.00 0.00 H new ATOM 59 N GLY A 7 18.983 -4.657 2.153 1.00 0.00 N ATOM 60 CA GLY A 7 17.606 -4.860 2.562 1.00 0.00 C ATOM 61 C GLY A 7 16.623 -4.608 1.436 1.00 0.00 C ATOM 62 O GLY A 7 16.682 -5.258 0.393 1.00 0.00 O ATOM 0 H GLY A 7 19.165 -4.822 1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.485 -5.881 2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.376 -4.197 3.396 1.00 0.00 H new ATOM 66 N LYS A 8 15.714 -3.662 1.647 1.00 0.00 N ATOM 67 CA LYS A 8 14.712 -3.325 0.642 1.00 0.00 C ATOM 68 C LYS A 8 15.374 -2.919 -0.671 1.00 0.00 C ATOM 69 O LYS A 8 15.878 -1.804 -0.805 1.00 0.00 O ATOM 70 CB LYS A 8 13.817 -2.190 1.145 1.00 0.00 C ATOM 71 CG LYS A 8 12.682 -2.662 2.038 1.00 0.00 C ATOM 72 CD LYS A 8 13.097 -2.692 3.499 1.00 0.00 C ATOM 73 CE LYS A 8 12.814 -1.366 4.187 1.00 0.00 C ATOM 74 NZ LYS A 8 13.314 -1.350 5.589 1.00 0.00 N ATOM 0 H LYS A 8 15.650 -3.115 2.505 1.00 0.00 H new ATOM 0 HA LYS A 8 14.101 -4.210 0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.427 -1.474 1.695 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.399 -1.661 0.289 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.823 -2.002 1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.365 -3.658 1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.563 -3.491 4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.160 -2.921 3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.283 -0.558 3.625 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.741 -1.176 4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.548 -1.054 6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.637 -2.303 5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.107 -0.682 5.667 1.00 0.00 H new ATOM 88 N ARG A 9 15.368 -3.831 -1.638 1.00 0.00 N ATOM 89 CA ARG A 9 15.968 -3.568 -2.940 1.00 0.00 C ATOM 90 C ARG A 9 14.968 -3.832 -4.063 1.00 0.00 C ATOM 91 O ARG A 9 15.322 -4.373 -5.110 1.00 0.00 O ATOM 92 CB ARG A 9 17.212 -4.436 -3.138 1.00 0.00 C ATOM 93 CG ARG A 9 18.453 -3.887 -2.452 1.00 0.00 C ATOM 94 CD ARG A 9 19.636 -4.829 -2.605 1.00 0.00 C ATOM 95 NE ARG A 9 20.741 -4.468 -1.720 1.00 0.00 N ATOM 96 CZ ARG A 9 21.490 -3.384 -1.885 1.00 0.00 C ATOM 97 NH1 ARG A 9 21.256 -2.559 -2.895 1.00 0.00 N ATOM 98 NH2 ARG A 9 22.477 -3.123 -1.037 1.00 0.00 N ATOM 0 H ARG A 9 14.954 -4.759 -1.544 1.00 0.00 H new ATOM 0 HA ARG A 9 16.257 -2.518 -2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 9 17.010 -5.438 -2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 9 17.410 -4.534 -4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 9 18.704 -2.914 -2.875 1.00 0.00 H new ATOM 0 HG3 ARG A 9 18.246 -3.730 -1.393 1.00 0.00 H new ATOM 0 HD2 ARG A 9 19.317 -5.849 -2.390 1.00 0.00 H new ATOM 0 HD3 ARG A 9 19.980 -4.814 -3.639 1.00 0.00 H new ATOM 0 HE ARG A 9 20.948 -5.082 -0.932 1.00 0.00 H new ATOM 0 HH11 ARG A 9 20.498 -2.756 -3.549 1.00 0.00 H new ATOM 0 HH12 ARG A 9 21.833 -1.727 -3.018 1.00 0.00 H new ATOM 0 HH21 ARG A 9 22.661 -3.755 -0.258 1.00 0.00 H new ATOM 0 HH22 ARG A 9 23.052 -2.290 -1.164 1.00 0.00 H new ATOM 112 N LYS A 10 13.717 -3.446 -3.836 1.00 0.00 N ATOM 113 CA LYS A 10 12.664 -3.639 -4.826 1.00 0.00 C ATOM 114 C LYS A 10 12.794 -2.629 -5.961 1.00 0.00 C ATOM 115 O LYS A 10 13.331 -1.536 -5.776 1.00 0.00 O ATOM 116 CB LYS A 10 11.288 -3.511 -4.170 1.00 0.00 C ATOM 117 CG LYS A 10 11.060 -4.497 -3.037 1.00 0.00 C ATOM 118 CD LYS A 10 9.795 -4.172 -2.261 1.00 0.00 C ATOM 119 CE LYS A 10 9.724 -4.953 -0.958 1.00 0.00 C ATOM 120 NZ LYS A 10 9.266 -6.353 -1.174 1.00 0.00 N ATOM 0 H LYS A 10 13.407 -2.997 -2.974 1.00 0.00 H new ATOM 0 HA LYS A 10 12.769 -4.641 -5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.170 -2.497 -3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 10 10.518 -3.657 -4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 10 10.991 -5.507 -3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.916 -4.482 -2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.762 -3.103 -2.048 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.923 -4.402 -2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.706 -4.961 -0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.044 -4.451 -0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.150 -6.826 -0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.356 -6.347 -1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.972 -6.866 -1.740 1.00 0.00 H new ATOM 134 N THR A 11 12.297 -2.999 -7.137 1.00 0.00 N ATOM 135 CA THR A 11 12.357 -2.126 -8.302 1.00 0.00 C ATOM 136 C THR A 11 11.159 -1.185 -8.346 1.00 0.00 C ATOM 137 O THR A 11 10.080 -1.513 -7.852 1.00 0.00 O ATOM 138 CB THR A 11 12.407 -2.937 -9.611 1.00 0.00 C ATOM 139 OG1 THR A 11 11.121 -3.506 -9.884 1.00 0.00 O ATOM 140 CG2 THR A 11 13.448 -4.042 -9.523 1.00 0.00 C ATOM 0 H THR A 11 11.848 -3.899 -7.308 1.00 0.00 H new ATOM 0 HA THR A 11 13.272 -1.541 -8.211 1.00 0.00 H new ATOM 0 HB THR A 11 12.684 -2.262 -10.421 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.160 -4.018 -10.718 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.465 -4.601 -10.459 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.430 -3.604 -9.344 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.196 -4.715 -8.703 1.00 0.00 H new ATOM 148 N LYS A 12 11.354 -0.013 -8.941 1.00 0.00 N ATOM 149 CA LYS A 12 10.288 0.976 -9.052 1.00 0.00 C ATOM 150 C LYS A 12 8.975 0.318 -9.463 1.00 0.00 C ATOM 151 O LYS A 12 7.918 0.628 -8.916 1.00 0.00 O ATOM 152 CB LYS A 12 10.670 2.056 -10.068 1.00 0.00 C ATOM 153 CG LYS A 12 9.780 3.285 -10.012 1.00 0.00 C ATOM 154 CD LYS A 12 10.199 4.227 -8.895 1.00 0.00 C ATOM 155 CE LYS A 12 11.395 5.075 -9.300 1.00 0.00 C ATOM 156 NZ LYS A 12 11.048 6.043 -10.378 1.00 0.00 N ATOM 0 H LYS A 12 12.241 0.275 -9.354 1.00 0.00 H new ATOM 0 HA LYS A 12 10.152 1.437 -8.074 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.703 2.357 -9.894 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.626 1.631 -11.071 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.822 3.810 -10.967 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.745 2.979 -9.862 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.364 4.876 -8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.446 3.650 -8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.767 5.617 -8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.202 4.426 -9.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.741 6.819 -10.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.063 5.558 -11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.098 6.429 -10.206 1.00 0.00 H new ATOM 170 N GLU A 13 9.052 -0.592 -10.429 1.00 0.00 N ATOM 171 CA GLU A 13 7.868 -1.294 -10.912 1.00 0.00 C ATOM 172 C GLU A 13 7.199 -2.072 -9.782 1.00 0.00 C ATOM 173 O GLU A 13 6.053 -1.801 -9.423 1.00 0.00 O ATOM 174 CB GLU A 13 8.241 -2.246 -12.050 1.00 0.00 C ATOM 175 CG GLU A 13 8.164 -1.608 -13.427 1.00 0.00 C ATOM 176 CD GLU A 13 6.915 -0.767 -13.611 1.00 0.00 C ATOM 177 OE1 GLU A 13 5.888 -1.321 -14.056 1.00 0.00 O ATOM 178 OE2 GLU A 13 6.965 0.443 -13.309 1.00 0.00 O ATOM 0 H GLU A 13 9.920 -0.860 -10.892 1.00 0.00 H new ATOM 0 HA GLU A 13 7.163 -0.551 -11.286 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.253 -2.616 -11.886 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.578 -3.110 -12.022 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.044 -0.984 -13.584 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.187 -2.389 -14.187 1.00 0.00 H new ATOM 185 N GLN A 14 7.922 -3.040 -9.229 1.00 0.00 N ATOM 186 CA GLN A 14 7.397 -3.858 -8.141 1.00 0.00 C ATOM 187 C GLN A 14 6.754 -2.988 -7.067 1.00 0.00 C ATOM 188 O GLN A 14 5.681 -3.307 -6.554 1.00 0.00 O ATOM 189 CB GLN A 14 8.513 -4.706 -7.529 1.00 0.00 C ATOM 190 CG GLN A 14 9.128 -5.698 -8.502 1.00 0.00 C ATOM 191 CD GLN A 14 10.263 -6.493 -7.886 1.00 0.00 C ATOM 192 OE1 GLN A 14 11.267 -5.928 -7.451 1.00 0.00 O ATOM 193 NE2 GLN A 14 10.110 -7.811 -7.847 1.00 0.00 N ATOM 0 H GLN A 14 8.872 -3.277 -9.516 1.00 0.00 H new ATOM 0 HA GLN A 14 6.633 -4.518 -8.552 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.295 -4.046 -7.154 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.116 -5.250 -6.672 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.357 -6.384 -8.851 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.498 -5.162 -9.376 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.261 -8.237 -8.219 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.841 -8.398 -7.445 1.00 0.00 H new ATOM 202 N LEU A 15 7.418 -1.887 -6.729 1.00 0.00 N ATOM 203 CA LEU A 15 6.911 -0.970 -5.714 1.00 0.00 C ATOM 204 C LEU A 15 5.715 -0.183 -6.239 1.00 0.00 C ATOM 205 O LEU A 15 4.822 0.189 -5.479 1.00 0.00 O ATOM 206 CB LEU A 15 8.015 -0.008 -5.271 1.00 0.00 C ATOM 207 CG LEU A 15 8.964 -0.526 -4.190 1.00 0.00 C ATOM 208 CD1 LEU A 15 9.913 0.574 -3.741 1.00 0.00 C ATOM 209 CD2 LEU A 15 8.177 -1.071 -3.007 1.00 0.00 C ATOM 0 H LEU A 15 8.308 -1.608 -7.143 1.00 0.00 H new ATOM 0 HA LEU A 15 6.586 -1.560 -4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.606 0.262 -6.146 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.547 0.907 -4.907 1.00 0.00 H new ATOM 0 HG LEU A 15 9.556 -1.338 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.581 0.187 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.501 0.917 -4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.339 1.408 -3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.868 -1.435 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.559 -0.279 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.540 -1.890 -3.340 1.00 0.00 H new ATOM 221 N ALA A 16 5.704 0.066 -7.545 1.00 0.00 N ATOM 222 CA ALA A 16 4.616 0.804 -8.172 1.00 0.00 C ATOM 223 C ALA A 16 3.278 0.108 -7.947 1.00 0.00 C ATOM 224 O ALA A 16 2.244 0.762 -7.806 1.00 0.00 O ATOM 225 CB ALA A 16 4.882 0.972 -9.661 1.00 0.00 C ATOM 0 H ALA A 16 6.437 -0.233 -8.188 1.00 0.00 H new ATOM 0 HA ALA A 16 4.565 1.790 -7.709 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.061 1.525 -10.117 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.813 1.520 -9.805 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.963 -0.009 -10.129 1.00 0.00 H new ATOM 231 N ILE A 17 3.305 -1.220 -7.916 1.00 0.00 N ATOM 232 CA ILE A 17 2.094 -2.004 -7.707 1.00 0.00 C ATOM 233 C ILE A 17 1.690 -2.010 -6.237 1.00 0.00 C ATOM 234 O ILE A 17 0.504 -1.974 -5.907 1.00 0.00 O ATOM 235 CB ILE A 17 2.275 -3.457 -8.185 1.00 0.00 C ATOM 236 CG1 ILE A 17 2.412 -3.502 -9.708 1.00 0.00 C ATOM 237 CG2 ILE A 17 1.104 -4.314 -7.728 1.00 0.00 C ATOM 238 CD1 ILE A 17 3.271 -4.645 -10.203 1.00 0.00 C ATOM 0 H ILE A 17 4.152 -1.776 -8.033 1.00 0.00 H new ATOM 0 HA ILE A 17 1.307 -1.532 -8.295 1.00 0.00 H new ATOM 0 HB ILE A 17 3.188 -3.858 -7.745 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.420 -3.585 -10.152 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.839 -2.561 -10.055 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.246 -5.338 -8.073 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.048 -4.303 -6.640 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.178 -3.916 -8.143 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.324 -4.615 -11.291 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.275 -4.552 -9.788 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.834 -5.592 -9.887 1.00 0.00 H new ATOM 250 N LEU A 18 2.684 -2.055 -5.356 1.00 0.00 N ATOM 251 CA LEU A 18 2.433 -2.065 -3.919 1.00 0.00 C ATOM 252 C LEU A 18 1.775 -0.763 -3.473 1.00 0.00 C ATOM 253 O LEU A 18 0.704 -0.771 -2.865 1.00 0.00 O ATOM 254 CB LEU A 18 3.740 -2.278 -3.154 1.00 0.00 C ATOM 255 CG LEU A 18 4.118 -3.730 -2.862 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.538 -3.815 -2.326 1.00 0.00 C ATOM 257 CD2 LEU A 18 3.136 -4.349 -1.877 1.00 0.00 C ATOM 0 H LEU A 18 3.671 -2.085 -5.612 1.00 0.00 H new ATOM 0 HA LEU A 18 1.753 -2.888 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.549 -1.820 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.674 -1.743 -2.207 1.00 0.00 H new ATOM 0 HG LEU A 18 4.070 -4.292 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.789 -4.856 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.231 -3.412 -3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.614 -3.238 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.420 -5.383 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.152 -3.785 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.132 -4.323 -2.300 1.00 0.00 H new ATOM 269 N LYS A 19 2.423 0.356 -3.779 1.00 0.00 N ATOM 270 CA LYS A 19 1.901 1.668 -3.413 1.00 0.00 C ATOM 271 C LYS A 19 0.402 1.752 -3.684 1.00 0.00 C ATOM 272 O LYS A 19 -0.348 2.333 -2.900 1.00 0.00 O ATOM 273 CB LYS A 19 2.633 2.765 -4.190 1.00 0.00 C ATOM 274 CG LYS A 19 4.090 2.924 -3.792 1.00 0.00 C ATOM 275 CD LYS A 19 4.759 4.050 -4.562 1.00 0.00 C ATOM 276 CE LYS A 19 6.262 4.067 -4.331 1.00 0.00 C ATOM 277 NZ LYS A 19 6.921 5.192 -5.050 1.00 0.00 N ATOM 0 H LYS A 19 3.311 0.381 -4.280 1.00 0.00 H new ATOM 0 HA LYS A 19 2.068 1.814 -2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.579 2.542 -5.256 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.118 3.713 -4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.156 3.124 -2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.622 1.990 -3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.555 3.936 -5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.332 5.005 -4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.464 4.150 -3.263 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.691 3.122 -4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.945 5.169 -4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.750 5.099 -6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.530 6.095 -4.714 1.00 0.00 H new ATOM 291 N SER A 20 -0.027 1.167 -4.798 1.00 0.00 N ATOM 292 CA SER A 20 -1.436 1.178 -5.172 1.00 0.00 C ATOM 293 C SER A 20 -2.265 0.351 -4.194 1.00 0.00 C ATOM 294 O SER A 20 -3.403 0.699 -3.877 1.00 0.00 O ATOM 295 CB SER A 20 -1.613 0.636 -6.592 1.00 0.00 C ATOM 296 OG SER A 20 -1.811 -0.767 -6.582 1.00 0.00 O ATOM 0 H SER A 20 0.581 0.680 -5.457 1.00 0.00 H new ATOM 0 HA SER A 20 -1.787 2.209 -5.137 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.465 1.123 -7.067 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.734 0.878 -7.189 1.00 0.00 H new ATOM 0 HG SER A 20 -0.973 -1.214 -6.339 1.00 0.00 H new ATOM 302 N PHE A 21 -1.686 -0.747 -3.718 1.00 0.00 N ATOM 303 CA PHE A 21 -2.370 -1.625 -2.777 1.00 0.00 C ATOM 304 C PHE A 21 -2.453 -0.982 -1.395 1.00 0.00 C ATOM 305 O PHE A 21 -3.514 -0.963 -0.770 1.00 0.00 O ATOM 306 CB PHE A 21 -1.646 -2.970 -2.683 1.00 0.00 C ATOM 307 CG PHE A 21 -2.553 -4.116 -2.335 1.00 0.00 C ATOM 308 CD1 PHE A 21 -2.918 -4.354 -1.020 1.00 0.00 C ATOM 309 CD2 PHE A 21 -3.040 -4.956 -3.324 1.00 0.00 C ATOM 310 CE1 PHE A 21 -3.752 -5.407 -0.697 1.00 0.00 C ATOM 311 CE2 PHE A 21 -3.875 -6.010 -3.007 1.00 0.00 C ATOM 312 CZ PHE A 21 -4.231 -6.237 -1.691 1.00 0.00 C ATOM 0 H PHE A 21 -0.745 -1.049 -3.969 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.383 -1.790 -3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.159 -3.179 -3.636 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.859 -2.898 -1.932 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.546 -3.709 -0.238 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.764 -4.785 -4.354 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.029 -5.581 0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.249 -6.656 -3.787 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.882 -7.061 -1.441 1.00 0.00 H new ATOM 322 N PHE A 22 -1.327 -0.458 -0.925 1.00 0.00 N ATOM 323 CA PHE A 22 -1.270 0.185 0.383 1.00 0.00 C ATOM 324 C PHE A 22 -2.392 1.208 0.535 1.00 0.00 C ATOM 325 O PHE A 22 -3.131 1.195 1.521 1.00 0.00 O ATOM 326 CB PHE A 22 0.086 0.865 0.583 1.00 0.00 C ATOM 327 CG PHE A 22 0.330 1.312 1.996 1.00 0.00 C ATOM 328 CD1 PHE A 22 0.455 0.384 3.018 1.00 0.00 C ATOM 329 CD2 PHE A 22 0.434 2.659 2.303 1.00 0.00 C ATOM 330 CE1 PHE A 22 0.679 0.793 4.319 1.00 0.00 C ATOM 331 CE2 PHE A 22 0.658 3.073 3.602 1.00 0.00 C ATOM 332 CZ PHE A 22 0.782 2.139 4.612 1.00 0.00 C ATOM 0 H PHE A 22 -0.441 -0.466 -1.430 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.398 -0.585 1.144 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.876 0.175 0.287 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.152 1.728 -0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.377 -0.670 2.795 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.339 3.394 1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.774 0.060 5.107 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.736 4.126 3.828 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.959 2.460 5.628 1.00 0.00 H new ATOM 342 N LEU A 23 -2.514 2.093 -0.447 1.00 0.00 N ATOM 343 CA LEU A 23 -3.546 3.125 -0.424 1.00 0.00 C ATOM 344 C LEU A 23 -4.926 2.510 -0.213 1.00 0.00 C ATOM 345 O LEU A 23 -5.653 2.895 0.702 1.00 0.00 O ATOM 346 CB LEU A 23 -3.525 3.924 -1.728 1.00 0.00 C ATOM 347 CG LEU A 23 -2.183 4.551 -2.110 1.00 0.00 C ATOM 348 CD1 LEU A 23 -2.052 4.651 -3.621 1.00 0.00 C ATOM 349 CD2 LEU A 23 -2.034 5.922 -1.468 1.00 0.00 C ATOM 0 H LEU A 23 -1.912 2.118 -1.270 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.336 3.796 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.840 3.267 -2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.267 4.719 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.384 3.909 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.091 5.099 -3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.114 3.654 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.857 5.271 -4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.074 6.354 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.839 6.573 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.083 5.823 -0.384 1.00 0.00 H new ATOM 361 N GLN A 24 -5.278 1.553 -1.065 1.00 0.00 N ATOM 362 CA GLN A 24 -6.570 0.884 -0.970 1.00 0.00 C ATOM 363 C GLN A 24 -6.722 0.182 0.376 1.00 0.00 C ATOM 364 O GLN A 24 -7.814 0.140 0.945 1.00 0.00 O ATOM 365 CB GLN A 24 -6.730 -0.127 -2.107 1.00 0.00 C ATOM 366 CG GLN A 24 -6.683 0.501 -3.490 1.00 0.00 C ATOM 367 CD GLN A 24 -7.988 1.171 -3.872 1.00 0.00 C ATOM 368 OE1 GLN A 24 -8.304 2.260 -3.391 1.00 0.00 O ATOM 369 NE2 GLN A 24 -8.754 0.523 -4.742 1.00 0.00 N ATOM 0 H GLN A 24 -4.687 1.224 -1.828 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.350 1.641 -1.054 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.942 -0.876 -2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.679 -0.650 -1.986 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.878 1.236 -3.524 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.445 -0.267 -4.226 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.453 -0.377 -5.115 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.644 0.926 -5.037 1.00 0.00 H new ATOM 378 N CYS A 25 -5.623 -0.368 0.878 1.00 0.00 N ATOM 379 CA CYS A 25 -5.634 -1.070 2.156 1.00 0.00 C ATOM 380 C CYS A 25 -4.251 -1.051 2.800 1.00 0.00 C ATOM 381 O CYS A 25 -3.307 -1.644 2.280 1.00 0.00 O ATOM 382 CB CYS A 25 -6.100 -2.514 1.965 1.00 0.00 C ATOM 383 SG CYS A 25 -7.891 -2.734 2.089 1.00 0.00 S ATOM 0 H CYS A 25 -4.712 -0.342 0.419 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.330 -0.555 2.818 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.768 -2.865 0.988 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.615 -3.143 2.711 1.00 0.00 H new ATOM 0 HG CYS A 25 -8.490 -1.649 1.695 1.00 0.00 H new ATOM 389 N GLN A 26 -4.141 -0.364 3.932 1.00 0.00 N ATOM 390 CA GLN A 26 -2.873 -0.265 4.645 1.00 0.00 C ATOM 391 C GLN A 26 -2.404 -1.638 5.114 1.00 0.00 C ATOM 392 O GLN A 26 -1.209 -1.865 5.303 1.00 0.00 O ATOM 393 CB GLN A 26 -3.008 0.677 5.842 1.00 0.00 C ATOM 394 CG GLN A 26 -3.093 2.145 5.456 1.00 0.00 C ATOM 395 CD GLN A 26 -4.500 2.572 5.088 1.00 0.00 C ATOM 396 OE1 GLN A 26 -5.352 2.757 5.958 1.00 0.00 O ATOM 397 NE2 GLN A 26 -4.753 2.731 3.794 1.00 0.00 N ATOM 0 H GLN A 26 -4.914 0.132 4.375 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.129 0.138 3.957 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.900 0.407 6.407 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.155 0.533 6.505 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.738 2.756 6.286 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.428 2.334 4.613 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.017 2.567 3.107 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.683 3.017 3.488 1.00 0.00 H new ATOM 406 N TRP A 27 -3.351 -2.550 5.300 1.00 0.00 N ATOM 407 CA TRP A 27 -3.034 -3.901 5.747 1.00 0.00 C ATOM 408 C TRP A 27 -3.613 -4.940 4.793 1.00 0.00 C ATOM 409 O TRP A 27 -4.801 -4.910 4.475 1.00 0.00 O ATOM 410 CB TRP A 27 -3.573 -4.132 7.160 1.00 0.00 C ATOM 411 CG TRP A 27 -3.156 -3.073 8.135 1.00 0.00 C ATOM 412 CD1 TRP A 27 -3.548 -1.765 8.142 1.00 0.00 C ATOM 413 CD2 TRP A 27 -2.264 -3.232 9.244 1.00 0.00 C ATOM 414 NE1 TRP A 27 -2.954 -1.101 9.188 1.00 0.00 N ATOM 415 CE2 TRP A 27 -2.162 -1.979 9.880 1.00 0.00 C ATOM 416 CE3 TRP A 27 -1.544 -4.311 9.763 1.00 0.00 C ATOM 417 CZ2 TRP A 27 -1.369 -1.779 11.006 1.00 0.00 C ATOM 418 CZ3 TRP A 27 -0.756 -4.110 10.881 1.00 0.00 C ATOM 419 CH2 TRP A 27 -0.674 -2.853 11.493 1.00 0.00 C ATOM 0 H TRP A 27 -4.345 -2.378 5.148 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.949 -4.009 5.757 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.662 -4.174 7.124 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.228 -5.102 7.519 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.226 -1.318 7.430 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -3.082 -0.114 9.413 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.602 -5.285 9.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -1.304 -0.810 11.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.194 -4.937 11.290 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -0.050 -2.729 12.366 1.00 0.00 H new ATOM 430 N ALA A 28 -2.766 -5.859 4.341 1.00 0.00 N ATOM 431 CA ALA A 28 -3.195 -6.909 3.425 1.00 0.00 C ATOM 432 C ALA A 28 -3.351 -8.241 4.151 1.00 0.00 C ATOM 433 O ALA A 28 -2.685 -8.493 5.156 1.00 0.00 O ATOM 434 CB ALA A 28 -2.206 -7.044 2.277 1.00 0.00 C ATOM 0 H ALA A 28 -1.779 -5.898 4.594 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.168 -6.629 3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.539 -7.832 1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.147 -6.101 1.734 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.222 -7.297 2.672 1.00 0.00 H new ATOM 440 N ARG A 29 -4.235 -9.089 3.638 1.00 0.00 N ATOM 441 CA ARG A 29 -4.480 -10.395 4.239 1.00 0.00 C ATOM 442 C ARG A 29 -3.790 -11.498 3.442 1.00 0.00 C ATOM 443 O ARG A 29 -3.297 -11.265 2.338 1.00 0.00 O ATOM 444 CB ARG A 29 -5.983 -10.671 4.316 1.00 0.00 C ATOM 445 CG ARG A 29 -6.697 -9.856 5.382 1.00 0.00 C ATOM 446 CD ARG A 29 -7.932 -10.577 5.899 1.00 0.00 C ATOM 447 NE ARG A 29 -7.591 -11.803 6.614 1.00 0.00 N ATOM 448 CZ ARG A 29 -8.452 -12.481 7.365 1.00 0.00 C ATOM 449 NH1 ARG A 29 -9.700 -12.054 7.497 1.00 0.00 N ATOM 450 NH2 ARG A 29 -8.066 -13.589 7.984 1.00 0.00 N ATOM 0 H ARG A 29 -4.794 -8.896 2.807 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.067 -10.386 5.248 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.433 -10.459 3.346 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.140 -11.731 4.515 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.015 -9.660 6.210 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.985 -8.889 4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.488 -9.914 6.562 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.589 -10.816 5.063 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.639 -12.159 6.533 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.001 -11.203 7.021 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.359 -12.576 8.074 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.107 -13.922 7.884 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.728 -14.108 8.560 1.00 0.00 H new ATOM 464 N ARG A 30 -3.757 -12.699 4.010 1.00 0.00 N ATOM 465 CA ARG A 30 -3.126 -13.838 3.354 1.00 0.00 C ATOM 466 C ARG A 30 -3.712 -14.057 1.962 1.00 0.00 C ATOM 467 O ARG A 30 -2.998 -14.419 1.028 1.00 0.00 O ATOM 468 CB ARG A 30 -3.302 -15.102 4.197 1.00 0.00 C ATOM 469 CG ARG A 30 -4.754 -15.441 4.491 1.00 0.00 C ATOM 470 CD ARG A 30 -4.879 -16.359 5.697 1.00 0.00 C ATOM 471 NE ARG A 30 -4.448 -17.721 5.395 1.00 0.00 N ATOM 472 CZ ARG A 30 -5.148 -18.564 4.645 1.00 0.00 C ATOM 473 NH1 ARG A 30 -6.307 -18.187 4.122 1.00 0.00 N ATOM 474 NH2 ARG A 30 -4.690 -19.788 4.415 1.00 0.00 N ATOM 0 H ARG A 30 -4.160 -12.909 4.923 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.062 -13.623 3.252 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.840 -15.942 3.678 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.769 -14.977 5.140 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.314 -14.523 4.672 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.200 -15.920 3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.281 -15.963 6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.915 -16.373 6.036 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.560 -18.043 5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.663 -17.247 4.295 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.842 -18.837 3.546 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.799 -20.083 4.815 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.229 -20.434 3.839 1.00 0.00 H new ATOM 488 N GLU A 31 -5.016 -13.834 1.833 1.00 0.00 N ATOM 489 CA GLU A 31 -5.697 -14.009 0.555 1.00 0.00 C ATOM 490 C GLU A 31 -5.285 -12.923 -0.434 1.00 0.00 C ATOM 491 O GLU A 31 -5.458 -13.073 -1.644 1.00 0.00 O ATOM 492 CB GLU A 31 -7.214 -13.984 0.754 1.00 0.00 C ATOM 493 CG GLU A 31 -7.737 -12.661 1.289 1.00 0.00 C ATOM 494 CD GLU A 31 -9.248 -12.634 1.403 1.00 0.00 C ATOM 495 OE1 GLU A 31 -9.923 -13.117 0.470 1.00 0.00 O ATOM 496 OE2 GLU A 31 -9.756 -12.130 2.427 1.00 0.00 O ATOM 0 H GLU A 31 -5.621 -13.532 2.596 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.407 -14.977 0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.700 -14.199 -0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.495 -14.781 1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.299 -12.471 2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.412 -11.854 0.633 1.00 0.00 H new ATOM 503 N ASP A 32 -4.739 -11.831 0.089 1.00 0.00 N ATOM 504 CA ASP A 32 -4.301 -10.719 -0.747 1.00 0.00 C ATOM 505 C ASP A 32 -2.829 -10.868 -1.121 1.00 0.00 C ATOM 506 O ASP A 32 -2.442 -10.628 -2.265 1.00 0.00 O ATOM 507 CB ASP A 32 -4.524 -9.390 -0.024 1.00 0.00 C ATOM 508 CG ASP A 32 -5.989 -9.002 0.034 1.00 0.00 C ATOM 509 OD1 ASP A 32 -6.503 -8.472 -0.974 1.00 0.00 O ATOM 510 OD2 ASP A 32 -6.621 -9.229 1.086 1.00 0.00 O ATOM 0 H ASP A 32 -4.589 -11.692 1.088 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.893 -10.729 -1.662 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.129 -9.460 0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.963 -8.605 -0.531 1.00 0.00 H new ATOM 515 N TYR A 33 -2.014 -11.264 -0.149 1.00 0.00 N ATOM 516 CA TYR A 33 -0.585 -11.441 -0.375 1.00 0.00 C ATOM 517 C TYR A 33 -0.331 -12.386 -1.545 1.00 0.00 C ATOM 518 O TYR A 33 0.400 -12.054 -2.478 1.00 0.00 O ATOM 519 CB TYR A 33 0.089 -11.981 0.887 1.00 0.00 C ATOM 520 CG TYR A 33 0.100 -10.998 2.036 1.00 0.00 C ATOM 521 CD1 TYR A 33 0.433 -9.664 1.831 1.00 0.00 C ATOM 522 CD2 TYR A 33 -0.221 -11.402 3.325 1.00 0.00 C ATOM 523 CE1 TYR A 33 0.445 -8.762 2.877 1.00 0.00 C ATOM 524 CE2 TYR A 33 -0.213 -10.507 4.377 1.00 0.00 C ATOM 525 CZ TYR A 33 0.121 -9.188 4.148 1.00 0.00 C ATOM 526 OH TYR A 33 0.131 -8.294 5.194 1.00 0.00 O ATOM 0 H TYR A 33 -2.319 -11.468 0.803 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.158 -10.468 -0.619 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.424 -12.890 1.202 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.115 -12.261 0.649 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.687 -9.327 0.837 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.481 -12.434 3.508 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.707 -7.729 2.701 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.467 -10.838 5.373 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.790 -8.108 5.474 1.00 0.00 H new ATOM 536 N GLN A 34 -0.942 -13.565 -1.488 1.00 0.00 N ATOM 537 CA GLN A 34 -0.783 -14.560 -2.542 1.00 0.00 C ATOM 538 C GLN A 34 -0.979 -13.931 -3.918 1.00 0.00 C ATOM 539 O GLN A 34 -0.508 -14.457 -4.926 1.00 0.00 O ATOM 540 CB GLN A 34 -1.777 -15.706 -2.346 1.00 0.00 C ATOM 541 CG GLN A 34 -3.228 -15.289 -2.523 1.00 0.00 C ATOM 542 CD GLN A 34 -4.170 -16.475 -2.605 1.00 0.00 C ATOM 543 OE1 GLN A 34 -3.888 -17.544 -2.064 1.00 0.00 O ATOM 544 NE2 GLN A 34 -5.297 -16.290 -3.283 1.00 0.00 N ATOM 0 H GLN A 34 -1.552 -13.854 -0.723 1.00 0.00 H new ATOM 0 HA GLN A 34 0.231 -14.955 -2.484 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.547 -16.501 -3.055 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.646 -16.122 -1.347 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.523 -14.652 -1.689 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.322 -14.691 -3.430 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.490 -15.386 -3.715 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.970 -17.051 -3.371 1.00 0.00 H new ATOM 553 N LYS A 35 -1.678 -12.802 -3.952 1.00 0.00 N ATOM 554 CA LYS A 35 -1.937 -12.099 -5.204 1.00 0.00 C ATOM 555 C LYS A 35 -0.826 -11.098 -5.505 1.00 0.00 C ATOM 556 O LYS A 35 -0.329 -11.028 -6.630 1.00 0.00 O ATOM 557 CB LYS A 35 -3.285 -11.377 -5.138 1.00 0.00 C ATOM 558 CG LYS A 35 -3.613 -10.587 -6.393 1.00 0.00 C ATOM 559 CD LYS A 35 -4.471 -9.373 -6.079 1.00 0.00 C ATOM 560 CE LYS A 35 -5.888 -9.774 -5.700 1.00 0.00 C ATOM 561 NZ LYS A 35 -5.967 -10.280 -4.302 1.00 0.00 N ATOM 0 H LYS A 35 -2.076 -12.353 -3.127 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.966 -12.836 -6.007 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.072 -12.110 -4.964 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.284 -10.701 -4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.689 -10.266 -6.874 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.135 -11.229 -7.102 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.021 -8.810 -5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.498 -8.712 -6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.551 -8.916 -5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.243 -10.544 -6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.866 -9.980 -3.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.915 -11.319 -4.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.175 -9.895 -3.748 1.00 0.00 H new ATOM 575 N LEU A 36 -0.441 -10.327 -4.495 1.00 0.00 N ATOM 576 CA LEU A 36 0.613 -9.331 -4.651 1.00 0.00 C ATOM 577 C LEU A 36 1.879 -9.962 -5.221 1.00 0.00 C ATOM 578 O LEU A 36 2.539 -9.383 -6.084 1.00 0.00 O ATOM 579 CB LEU A 36 0.920 -8.669 -3.307 1.00 0.00 C ATOM 580 CG LEU A 36 -0.125 -7.678 -2.792 1.00 0.00 C ATOM 581 CD1 LEU A 36 0.143 -7.329 -1.337 1.00 0.00 C ATOM 582 CD2 LEU A 36 -0.137 -6.422 -3.651 1.00 0.00 C ATOM 0 H LEU A 36 -0.843 -10.372 -3.559 1.00 0.00 H new ATOM 0 HA LEU A 36 0.261 -8.573 -5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.048 -9.452 -2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.874 -8.149 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.107 -8.147 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.610 -6.623 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.100 -8.235 -0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.132 -6.879 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.886 -5.728 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.845 -5.950 -3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.378 -6.687 -4.680 1.00 0.00 H new ATOM 594 N GLU A 37 2.211 -11.154 -4.734 1.00 0.00 N ATOM 595 CA GLU A 37 3.397 -11.864 -5.197 1.00 0.00 C ATOM 596 C GLU A 37 3.248 -12.281 -6.657 1.00 0.00 C ATOM 597 O GLU A 37 4.195 -12.765 -7.275 1.00 0.00 O ATOM 598 CB GLU A 37 3.652 -13.097 -4.328 1.00 0.00 C ATOM 599 CG GLU A 37 2.404 -13.922 -4.059 1.00 0.00 C ATOM 600 CD GLU A 37 2.718 -15.375 -3.764 1.00 0.00 C ATOM 601 OE1 GLU A 37 3.853 -15.662 -3.331 1.00 0.00 O ATOM 602 OE2 GLU A 37 1.826 -16.227 -3.966 1.00 0.00 O ATOM 0 H GLU A 37 1.676 -11.647 -4.020 1.00 0.00 H new ATOM 0 HA GLU A 37 4.248 -11.187 -5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.396 -13.727 -4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.079 -12.779 -3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.864 -13.492 -3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.742 -13.865 -4.923 1.00 0.00 H new ATOM 609 N GLN A 38 2.050 -12.088 -7.202 1.00 0.00 N ATOM 610 CA GLN A 38 1.776 -12.445 -8.588 1.00 0.00 C ATOM 611 C GLN A 38 1.831 -11.214 -9.488 1.00 0.00 C ATOM 612 O GLN A 38 2.102 -11.320 -10.684 1.00 0.00 O ATOM 613 CB GLN A 38 0.405 -13.114 -8.704 1.00 0.00 C ATOM 614 CG GLN A 38 0.158 -13.767 -10.054 1.00 0.00 C ATOM 615 CD GLN A 38 0.979 -15.026 -10.252 1.00 0.00 C ATOM 616 OE1 GLN A 38 0.620 -16.098 -9.765 1.00 0.00 O ATOM 617 NE2 GLN A 38 2.088 -14.903 -10.971 1.00 0.00 N ATOM 0 H GLN A 38 1.255 -11.687 -6.704 1.00 0.00 H new ATOM 0 HA GLN A 38 2.544 -13.147 -8.914 1.00 0.00 H new ATOM 0 HB2 GLN A 38 0.311 -13.868 -7.923 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.370 -12.369 -8.523 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.901 -14.010 -10.148 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.393 -13.056 -10.846 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.348 -13.995 -11.356 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.680 -15.716 -11.138 1.00 0.00 H new ATOM 626 N ILE A 39 1.572 -10.049 -8.905 1.00 0.00 N ATOM 627 CA ILE A 39 1.593 -8.799 -9.654 1.00 0.00 C ATOM 628 C ILE A 39 2.953 -8.117 -9.547 1.00 0.00 C ATOM 629 O ILE A 39 3.448 -7.539 -10.515 1.00 0.00 O ATOM 630 CB ILE A 39 0.504 -7.828 -9.160 1.00 0.00 C ATOM 631 CG1 ILE A 39 0.204 -8.075 -7.680 1.00 0.00 C ATOM 632 CG2 ILE A 39 -0.758 -7.979 -9.995 1.00 0.00 C ATOM 633 CD1 ILE A 39 -0.729 -7.050 -7.074 1.00 0.00 C ATOM 0 H ILE A 39 1.345 -9.945 -7.916 1.00 0.00 H new ATOM 0 HA ILE A 39 1.397 -9.052 -10.696 1.00 0.00 H new ATOM 0 HB ILE A 39 0.869 -6.807 -9.272 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.235 -9.066 -7.567 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.141 -8.076 -7.123 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.518 -7.286 -9.634 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.532 -7.759 -11.038 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.129 -9.001 -9.912 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.897 -7.287 -6.024 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.283 -6.059 -7.155 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.680 -7.064 -7.606 1.00 0.00 H new ATOM 645 N THR A 40 3.554 -8.190 -8.363 1.00 0.00 N ATOM 646 CA THR A 40 4.857 -7.580 -8.130 1.00 0.00 C ATOM 647 C THR A 40 5.984 -8.572 -8.396 1.00 0.00 C ATOM 648 O THR A 40 7.095 -8.183 -8.752 1.00 0.00 O ATOM 649 CB THR A 40 4.981 -7.056 -6.687 1.00 0.00 C ATOM 650 OG1 THR A 40 4.973 -8.151 -5.765 1.00 0.00 O ATOM 651 CG2 THR A 40 3.843 -6.102 -6.358 1.00 0.00 C ATOM 0 H THR A 40 3.159 -8.665 -7.551 1.00 0.00 H new ATOM 0 HA THR A 40 4.942 -6.742 -8.822 1.00 0.00 H new ATOM 0 HB THR A 40 5.924 -6.516 -6.601 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.127 -8.640 -5.845 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.952 -5.745 -5.334 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.870 -5.254 -7.042 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.891 -6.622 -6.462 1.00 0.00 H new ATOM 659 N GLY A 41 5.689 -9.857 -8.222 1.00 0.00 N ATOM 660 CA GLY A 41 6.687 -10.885 -8.449 1.00 0.00 C ATOM 661 C GLY A 41 7.595 -11.086 -7.251 1.00 0.00 C ATOM 662 O GLY A 41 8.629 -11.748 -7.351 1.00 0.00 O ATOM 0 H GLY A 41 4.776 -10.204 -7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.189 -11.825 -8.685 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.290 -10.617 -9.317 1.00 0.00 H new ATOM 666 N LEU A 42 7.211 -10.512 -6.117 1.00 0.00 N ATOM 667 CA LEU A 42 7.998 -10.629 -4.895 1.00 0.00 C ATOM 668 C LEU A 42 7.335 -11.587 -3.909 1.00 0.00 C ATOM 669 O LEU A 42 6.114 -11.612 -3.757 1.00 0.00 O ATOM 670 CB LEU A 42 8.178 -9.256 -4.246 1.00 0.00 C ATOM 671 CG LEU A 42 8.995 -8.239 -5.043 1.00 0.00 C ATOM 672 CD1 LEU A 42 8.567 -6.821 -4.697 1.00 0.00 C ATOM 673 CD2 LEU A 42 10.483 -8.428 -4.782 1.00 0.00 C ATOM 0 H LEU A 42 6.359 -9.960 -6.018 1.00 0.00 H new ATOM 0 HA LEU A 42 8.976 -11.029 -5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.191 -8.833 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.655 -9.395 -3.276 1.00 0.00 H new ATOM 0 HG LEU A 42 8.809 -8.404 -6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.160 -6.111 -5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.511 -6.691 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.723 -6.643 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.049 -7.696 -5.357 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.686 -8.291 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.780 -9.433 -5.081 1.00 0.00 H new ATOM 685 N PRO A 43 8.159 -12.393 -3.223 1.00 0.00 N ATOM 686 CA PRO A 43 7.675 -13.365 -2.238 1.00 0.00 C ATOM 687 C PRO A 43 6.717 -12.741 -1.229 1.00 0.00 C ATOM 688 O PRO A 43 6.821 -11.556 -0.911 1.00 0.00 O ATOM 689 CB PRO A 43 8.955 -13.832 -1.541 1.00 0.00 C ATOM 690 CG PRO A 43 10.037 -13.594 -2.538 1.00 0.00 C ATOM 691 CD PRO A 43 9.625 -12.417 -3.354 1.00 0.00 C ATOM 0 HA PRO A 43 7.110 -14.171 -2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.133 -13.272 -0.623 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.895 -14.885 -1.266 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.987 -13.404 -2.038 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.179 -14.471 -3.170 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.075 -11.496 -2.983 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.932 -12.525 -4.394 1.00 0.00 H new ATOM 699 N ARG A 44 5.785 -13.545 -0.729 1.00 0.00 N ATOM 700 CA ARG A 44 4.808 -13.070 0.244 1.00 0.00 C ATOM 701 C ARG A 44 5.500 -12.400 1.427 1.00 0.00 C ATOM 702 O ARG A 44 5.095 -11.335 1.893 1.00 0.00 O ATOM 703 CB ARG A 44 3.942 -14.231 0.737 1.00 0.00 C ATOM 704 CG ARG A 44 3.754 -15.331 -0.294 1.00 0.00 C ATOM 705 CD ARG A 44 2.622 -16.271 0.094 1.00 0.00 C ATOM 706 NE ARG A 44 2.073 -16.972 -1.063 1.00 0.00 N ATOM 707 CZ ARG A 44 1.259 -18.019 -0.970 1.00 0.00 C ATOM 708 NH1 ARG A 44 0.903 -18.482 0.220 1.00 0.00 N ATOM 709 NH2 ARG A 44 0.800 -18.604 -2.069 1.00 0.00 N ATOM 0 H ARG A 44 5.685 -14.528 -0.981 1.00 0.00 H new ATOM 0 HA ARG A 44 4.172 -12.334 -0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.396 -14.657 1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.964 -13.846 1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.543 -14.887 -1.267 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.680 -15.897 -0.396 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.987 -16.998 0.819 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.831 -15.703 0.583 1.00 0.00 H new ATOM 0 HE ARG A 44 2.328 -16.640 -1.993 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.254 -18.035 1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.278 -19.285 0.289 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.072 -18.250 -2.986 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.176 -19.407 -1.996 1.00 0.00 H new ATOM 723 N PRO A 45 6.570 -13.037 1.926 1.00 0.00 N ATOM 724 CA PRO A 45 7.341 -12.521 3.060 1.00 0.00 C ATOM 725 C PRO A 45 8.031 -11.199 2.739 1.00 0.00 C ATOM 726 O PRO A 45 8.349 -10.421 3.637 1.00 0.00 O ATOM 727 CB PRO A 45 8.379 -13.618 3.313 1.00 0.00 C ATOM 728 CG PRO A 45 7.835 -14.820 2.621 1.00 0.00 C ATOM 729 CD PRO A 45 7.109 -14.311 1.420 1.00 0.00 C ATOM 0 HA PRO A 45 6.707 -12.309 3.921 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.355 -13.339 2.915 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.510 -13.801 4.380 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.636 -15.500 2.333 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.164 -15.377 3.275 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.774 -14.167 0.568 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.321 -14.991 1.097 1.00 0.00 H new ATOM 737 N GLU A 46 8.259 -10.953 1.452 1.00 0.00 N ATOM 738 CA GLU A 46 8.912 -9.725 1.014 1.00 0.00 C ATOM 739 C GLU A 46 7.911 -8.577 0.930 1.00 0.00 C ATOM 740 O GLU A 46 8.252 -7.422 1.188 1.00 0.00 O ATOM 741 CB GLU A 46 9.580 -9.934 -0.347 1.00 0.00 C ATOM 742 CG GLU A 46 10.813 -9.072 -0.558 1.00 0.00 C ATOM 743 CD GLU A 46 12.073 -9.710 -0.007 1.00 0.00 C ATOM 744 OE1 GLU A 46 12.384 -10.852 -0.405 1.00 0.00 O ATOM 745 OE2 GLU A 46 12.749 -9.067 0.824 1.00 0.00 O ATOM 0 H GLU A 46 8.001 -11.587 0.696 1.00 0.00 H new ATOM 0 HA GLU A 46 9.674 -9.467 1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.859 -10.983 -0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.857 -9.719 -1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.942 -8.884 -1.624 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.661 -8.104 -0.080 1.00 0.00 H new ATOM 752 N ILE A 47 6.675 -8.903 0.568 1.00 0.00 N ATOM 753 CA ILE A 47 5.624 -7.899 0.451 1.00 0.00 C ATOM 754 C ILE A 47 5.018 -7.576 1.812 1.00 0.00 C ATOM 755 O ILE A 47 4.816 -6.410 2.152 1.00 0.00 O ATOM 756 CB ILE A 47 4.504 -8.365 -0.499 1.00 0.00 C ATOM 757 CG1 ILE A 47 5.102 -8.920 -1.794 1.00 0.00 C ATOM 758 CG2 ILE A 47 3.552 -7.217 -0.799 1.00 0.00 C ATOM 759 CD1 ILE A 47 4.080 -9.564 -2.703 1.00 0.00 C ATOM 0 H ILE A 47 6.377 -9.854 0.351 1.00 0.00 H new ATOM 0 HA ILE A 47 6.089 -7.002 0.041 1.00 0.00 H new ATOM 0 HB ILE A 47 3.941 -9.160 -0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.597 -8.111 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.869 -9.654 -1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.766 -7.562 -1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.105 -6.863 0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.102 -6.402 -1.271 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.574 -9.935 -3.601 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.602 -10.394 -2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.326 -8.828 -2.982 1.00 0.00 H new ATOM 771 N ILE A 48 4.732 -8.616 2.588 1.00 0.00 N ATOM 772 CA ILE A 48 4.152 -8.442 3.914 1.00 0.00 C ATOM 773 C ILE A 48 4.959 -7.447 4.741 1.00 0.00 C ATOM 774 O ILE A 48 4.426 -6.445 5.218 1.00 0.00 O ATOM 775 CB ILE A 48 4.074 -9.779 4.674 1.00 0.00 C ATOM 776 CG1 ILE A 48 3.152 -10.755 3.941 1.00 0.00 C ATOM 777 CG2 ILE A 48 3.588 -9.552 6.098 1.00 0.00 C ATOM 778 CD1 ILE A 48 3.441 -12.207 4.248 1.00 0.00 C ATOM 0 H ILE A 48 4.892 -9.587 2.322 1.00 0.00 H new ATOM 0 HA ILE A 48 3.143 -8.056 3.769 1.00 0.00 H new ATOM 0 HB ILE A 48 5.073 -10.214 4.716 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.118 -10.535 4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.246 -10.594 2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.538 -10.506 6.622 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.280 -8.889 6.617 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.597 -9.098 6.076 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.749 -12.841 3.694 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.464 -12.444 3.956 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.319 -12.384 5.317 1.00 0.00 H new ATOM 790 N GLN A 49 6.247 -7.729 4.905 1.00 0.00 N ATOM 791 CA GLN A 49 7.128 -6.857 5.673 1.00 0.00 C ATOM 792 C GLN A 49 7.060 -5.424 5.158 1.00 0.00 C ATOM 793 O GLN A 49 6.967 -4.477 5.939 1.00 0.00 O ATOM 794 CB GLN A 49 8.569 -7.368 5.608 1.00 0.00 C ATOM 795 CG GLN A 49 9.386 -7.041 6.848 1.00 0.00 C ATOM 796 CD GLN A 49 9.300 -8.124 7.905 1.00 0.00 C ATOM 797 OE1 GLN A 49 9.170 -9.307 7.590 1.00 0.00 O ATOM 798 NE2 GLN A 49 9.372 -7.724 9.169 1.00 0.00 N ATOM 0 H GLN A 49 6.704 -8.554 4.517 1.00 0.00 H new ATOM 0 HA GLN A 49 6.793 -6.866 6.710 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.557 -8.449 5.466 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.060 -6.937 4.735 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.429 -6.897 6.564 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.038 -6.098 7.270 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.480 -6.733 9.385 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.320 -8.408 9.924 1.00 0.00 H new ATOM 807 N TRP A 50 7.107 -5.272 3.839 1.00 0.00 N ATOM 808 CA TRP A 50 7.051 -3.953 3.220 1.00 0.00 C ATOM 809 C TRP A 50 5.920 -3.120 3.813 1.00 0.00 C ATOM 810 O TRP A 50 6.109 -1.952 4.155 1.00 0.00 O ATOM 811 CB TRP A 50 6.865 -4.084 1.707 1.00 0.00 C ATOM 812 CG TRP A 50 6.813 -2.765 0.998 1.00 0.00 C ATOM 813 CD1 TRP A 50 7.875 -2.035 0.547 1.00 0.00 C ATOM 814 CD2 TRP A 50 5.638 -2.019 0.661 1.00 0.00 C ATOM 815 NE1 TRP A 50 7.431 -0.880 -0.051 1.00 0.00 N ATOM 816 CE2 TRP A 50 6.063 -0.847 0.006 1.00 0.00 C ATOM 817 CE3 TRP A 50 4.269 -2.228 0.847 1.00 0.00 C ATOM 818 CZ2 TRP A 50 5.167 0.111 -0.462 1.00 0.00 C ATOM 819 CZ3 TRP A 50 3.381 -1.277 0.383 1.00 0.00 C ATOM 820 CH2 TRP A 50 3.832 -0.120 -0.266 1.00 0.00 C ATOM 0 H TRP A 50 7.184 -6.045 3.178 1.00 0.00 H new ATOM 0 HA TRP A 50 7.994 -3.445 3.421 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.683 -4.676 1.298 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.944 -4.632 1.508 1.00 0.00 H new ATOM 0 HD1 TRP A 50 8.911 -2.323 0.646 1.00 0.00 H new ATOM 0 HE1 TRP A 50 8.024 -0.163 -0.469 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.911 -3.117 1.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 5.513 1.004 -0.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 2.321 -1.428 0.523 1.00 0.00 H new ATOM 0 HH2 TRP A 50 3.112 0.604 -0.619 1.00 0.00 H new ATOM 831 N PHE A 51 4.744 -3.727 3.933 1.00 0.00 N ATOM 832 CA PHE A 51 3.582 -3.041 4.485 1.00 0.00 C ATOM 833 C PHE A 51 3.876 -2.515 5.888 1.00 0.00 C ATOM 834 O PHE A 51 3.517 -1.389 6.229 1.00 0.00 O ATOM 835 CB PHE A 51 2.377 -3.983 4.524 1.00 0.00 C ATOM 836 CG PHE A 51 1.609 -4.025 3.234 1.00 0.00 C ATOM 837 CD1 PHE A 51 1.945 -4.931 2.241 1.00 0.00 C ATOM 838 CD2 PHE A 51 0.549 -3.159 3.015 1.00 0.00 C ATOM 839 CE1 PHE A 51 1.240 -4.973 1.053 1.00 0.00 C ATOM 840 CE2 PHE A 51 -0.160 -3.197 1.829 1.00 0.00 C ATOM 841 CZ PHE A 51 0.186 -4.104 0.847 1.00 0.00 C ATOM 0 H PHE A 51 4.571 -4.693 3.655 1.00 0.00 H new ATOM 0 HA PHE A 51 3.351 -2.194 3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.720 -4.989 4.767 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.708 -3.672 5.326 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.768 -5.613 2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.274 -2.447 3.779 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.513 -5.684 0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.984 -2.517 1.670 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.366 -4.134 -0.081 1.00 0.00 H new ATOM 851 N GLY A 52 4.532 -3.341 6.697 1.00 0.00 N ATOM 852 CA GLY A 52 4.863 -2.944 8.053 1.00 0.00 C ATOM 853 C GLY A 52 5.648 -1.648 8.102 1.00 0.00 C ATOM 854 O GLY A 52 5.259 -0.704 8.791 1.00 0.00 O ATOM 0 H GLY A 52 4.840 -4.278 6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.945 -2.831 8.630 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.443 -3.735 8.529 1.00 0.00 H new ATOM 858 N ASP A 53 6.756 -1.602 7.372 1.00 0.00 N ATOM 859 CA ASP A 53 7.599 -0.412 7.335 1.00 0.00 C ATOM 860 C ASP A 53 6.862 0.756 6.686 1.00 0.00 C ATOM 861 O ASP A 53 6.901 1.882 7.182 1.00 0.00 O ATOM 862 CB ASP A 53 8.894 -0.701 6.574 1.00 0.00 C ATOM 863 CG ASP A 53 10.058 0.132 7.075 1.00 0.00 C ATOM 864 OD1 ASP A 53 9.973 1.375 7.000 1.00 0.00 O ATOM 865 OD2 ASP A 53 11.054 -0.460 7.541 1.00 0.00 O ATOM 0 H ASP A 53 7.092 -2.375 6.797 1.00 0.00 H new ATOM 0 HA ASP A 53 7.844 -0.138 8.361 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.140 -1.759 6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.740 -0.504 5.513 1.00 0.00 H new ATOM 870 N THR A 54 6.191 0.480 5.572 1.00 0.00 N ATOM 871 CA THR A 54 5.448 1.507 4.853 1.00 0.00 C ATOM 872 C THR A 54 4.588 2.331 5.805 1.00 0.00 C ATOM 873 O THR A 54 4.544 3.558 5.711 1.00 0.00 O ATOM 874 CB THR A 54 4.545 0.890 3.767 1.00 0.00 C ATOM 875 OG1 THR A 54 5.327 0.080 2.883 1.00 0.00 O ATOM 876 CG2 THR A 54 3.835 1.977 2.973 1.00 0.00 C ATOM 0 H THR A 54 6.147 -0.447 5.148 1.00 0.00 H new ATOM 0 HA THR A 54 6.184 2.156 4.378 1.00 0.00 H new ATOM 0 HB THR A 54 3.794 0.271 4.257 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.615 -0.731 3.351 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.203 1.518 2.212 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.218 2.574 3.645 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.574 2.618 2.493 1.00 0.00 H new ATOM 884 N ARG A 55 3.907 1.649 6.720 1.00 0.00 N ATOM 885 CA ARG A 55 3.048 2.319 7.689 1.00 0.00 C ATOM 886 C ARG A 55 3.829 3.370 8.473 1.00 0.00 C ATOM 887 O ARG A 55 3.432 4.534 8.538 1.00 0.00 O ATOM 888 CB ARG A 55 2.437 1.300 8.652 1.00 0.00 C ATOM 889 CG ARG A 55 1.193 0.618 8.107 1.00 0.00 C ATOM 890 CD ARG A 55 0.434 -0.115 9.203 1.00 0.00 C ATOM 891 NE ARG A 55 0.018 0.784 10.276 1.00 0.00 N ATOM 892 CZ ARG A 55 -0.957 1.677 10.149 1.00 0.00 C ATOM 893 NH1 ARG A 55 -1.612 1.790 9.002 1.00 0.00 N ATOM 894 NH2 ARG A 55 -1.278 2.460 11.171 1.00 0.00 N ATOM 0 H ARG A 55 3.933 0.633 6.811 1.00 0.00 H new ATOM 0 HA ARG A 55 2.248 2.818 7.143 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.184 0.541 8.887 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.186 1.801 9.587 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.542 1.361 7.646 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.476 -0.087 7.325 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.444 -0.599 8.775 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.064 -0.904 9.615 1.00 0.00 H new ATOM 0 HE ARG A 55 0.502 0.723 11.172 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.368 1.190 8.214 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.360 2.477 8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.776 2.376 12.055 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.027 3.146 11.073 1.00 0.00 H new ATOM 908 N TYR A 56 4.941 2.952 9.067 1.00 0.00 N ATOM 909 CA TYR A 56 5.777 3.856 9.849 1.00 0.00 C ATOM 910 C TYR A 56 5.965 5.186 9.126 1.00 0.00 C ATOM 911 O TYR A 56 5.649 6.247 9.664 1.00 0.00 O ATOM 912 CB TYR A 56 7.138 3.215 10.125 1.00 0.00 C ATOM 913 CG TYR A 56 8.254 4.219 10.304 1.00 0.00 C ATOM 914 CD1 TYR A 56 8.169 5.220 11.264 1.00 0.00 C ATOM 915 CD2 TYR A 56 9.396 4.167 9.513 1.00 0.00 C ATOM 916 CE1 TYR A 56 9.186 6.140 11.430 1.00 0.00 C ATOM 917 CE2 TYR A 56 10.418 5.082 9.673 1.00 0.00 C ATOM 918 CZ TYR A 56 10.309 6.066 10.632 1.00 0.00 C ATOM 919 OH TYR A 56 11.325 6.980 10.796 1.00 0.00 O ATOM 0 H TYR A 56 5.285 1.993 9.022 1.00 0.00 H new ATOM 0 HA TYR A 56 5.274 4.047 10.797 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.066 2.601 11.022 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.390 2.547 9.301 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.292 5.280 11.892 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.486 3.398 8.760 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.103 6.913 12.180 1.00 0.00 H new ATOM 0 HE2 TYR A 56 11.298 5.027 9.050 1.00 0.00 H new ATOM 0 HH TYR A 56 12.043 6.789 10.157 1.00 0.00 H new ATOM 929 N ALA A 57 6.481 5.120 7.904 1.00 0.00 N ATOM 930 CA ALA A 57 6.710 6.317 7.105 1.00 0.00 C ATOM 931 C ALA A 57 5.433 7.140 6.972 1.00 0.00 C ATOM 932 O ALA A 57 5.420 8.337 7.265 1.00 0.00 O ATOM 933 CB ALA A 57 7.243 5.941 5.730 1.00 0.00 C ATOM 0 H ALA A 57 6.749 4.249 7.445 1.00 0.00 H new ATOM 0 HA ALA A 57 7.454 6.928 7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.409 6.845 5.144 1.00 0.00 H new ATOM 0 HB2 ALA A 57 8.184 5.402 5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.518 5.307 5.220 1.00 0.00 H new ATOM 939 N LEU A 58 4.361 6.493 6.529 1.00 0.00 N ATOM 940 CA LEU A 58 3.078 7.166 6.357 1.00 0.00 C ATOM 941 C LEU A 58 2.677 7.908 7.628 1.00 0.00 C ATOM 942 O LEU A 58 2.581 9.135 7.639 1.00 0.00 O ATOM 943 CB LEU A 58 1.995 6.152 5.982 1.00 0.00 C ATOM 944 CG LEU A 58 0.553 6.659 6.039 1.00 0.00 C ATOM 945 CD1 LEU A 58 0.188 7.376 4.748 1.00 0.00 C ATOM 946 CD2 LEU A 58 -0.407 5.507 6.302 1.00 0.00 C ATOM 0 H LEU A 58 4.354 5.503 6.282 1.00 0.00 H new ATOM 0 HA LEU A 58 3.182 7.893 5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.194 5.795 4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.084 5.293 6.647 1.00 0.00 H new ATOM 0 HG LEU A 58 0.470 7.370 6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.841 7.730 4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.856 8.225 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.288 6.688 3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.428 5.886 6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.322 4.772 5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.159 5.037 7.254 1.00 0.00 H new ATOM 958 N LYS A 59 2.446 7.156 8.698 1.00 0.00 N ATOM 959 CA LYS A 59 2.059 7.741 9.976 1.00 0.00 C ATOM 960 C LYS A 59 2.876 8.996 10.269 1.00 0.00 C ATOM 961 O LYS A 59 2.338 10.006 10.725 1.00 0.00 O ATOM 962 CB LYS A 59 2.246 6.724 11.104 1.00 0.00 C ATOM 963 CG LYS A 59 2.104 7.322 12.493 1.00 0.00 C ATOM 964 CD LYS A 59 3.432 7.845 13.013 1.00 0.00 C ATOM 965 CE LYS A 59 3.511 7.756 14.529 1.00 0.00 C ATOM 966 NZ LYS A 59 3.583 6.345 15.000 1.00 0.00 N ATOM 0 H LYS A 59 2.520 6.139 8.706 1.00 0.00 H new ATOM 0 HA LYS A 59 1.007 8.019 9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.515 5.924 10.986 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.233 6.270 11.012 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.377 8.134 12.468 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.716 6.567 13.177 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.248 7.273 12.571 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.564 8.881 12.701 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.388 8.301 14.879 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.638 8.241 14.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.031 6.315 15.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.623 5.950 15.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.146 5.784 14.330 1.00 0.00 H new ATOM 980 N HIS A 60 4.176 8.926 10.003 1.00 0.00 N ATOM 981 CA HIS A 60 5.066 10.057 10.236 1.00 0.00 C ATOM 982 C HIS A 60 4.912 11.105 9.138 1.00 0.00 C ATOM 983 O HIS A 60 5.141 12.293 9.363 1.00 0.00 O ATOM 984 CB HIS A 60 6.519 9.585 10.306 1.00 0.00 C ATOM 985 CG HIS A 60 6.910 9.048 11.649 1.00 0.00 C ATOM 986 ND1 HIS A 60 7.630 9.778 12.571 1.00 0.00 N ATOM 987 CD2 HIS A 60 6.675 7.845 12.224 1.00 0.00 C ATOM 988 CE1 HIS A 60 7.823 9.047 13.654 1.00 0.00 C ATOM 989 NE2 HIS A 60 7.253 7.870 13.469 1.00 0.00 N ATOM 0 H HIS A 60 4.637 8.098 9.626 1.00 0.00 H new ATOM 0 HA HIS A 60 4.793 10.511 11.189 1.00 0.00 H new ATOM 0 HB2 HIS A 60 6.678 8.812 9.554 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.175 10.417 10.051 1.00 0.00 H new ATOM 0 HD2 HIS A 60 6.134 7.020 11.785 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.356 9.359 14.540 1.00 0.00 H new ATOM 0 HE2 HIS A 60 7.244 7.104 14.142 1.00 0.00 H new ATOM 998 N GLY A 61 4.524 10.656 7.949 1.00 0.00 N ATOM 999 CA GLY A 61 4.347 11.568 6.833 1.00 0.00 C ATOM 1000 C GLY A 61 5.528 11.559 5.884 1.00 0.00 C ATOM 1001 O GLY A 61 5.982 12.612 5.439 1.00 0.00 O ATOM 0 H GLY A 61 4.329 9.677 7.738 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.444 11.297 6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.198 12.579 7.214 1.00 0.00 H new ATOM 1005 N GLN A 62 6.028 10.366 5.575 1.00 0.00 N ATOM 1006 CA GLN A 62 7.166 10.226 4.674 1.00 0.00 C ATOM 1007 C GLN A 62 6.700 9.966 3.245 1.00 0.00 C ATOM 1008 O GLN A 62 7.156 10.617 2.304 1.00 0.00 O ATOM 1009 CB GLN A 62 8.075 9.088 5.141 1.00 0.00 C ATOM 1010 CG GLN A 62 9.146 9.529 6.126 1.00 0.00 C ATOM 1011 CD GLN A 62 10.404 8.689 6.035 1.00 0.00 C ATOM 1012 OE1 GLN A 62 11.375 9.072 5.382 1.00 0.00 O ATOM 1013 NE2 GLN A 62 10.394 7.535 6.693 1.00 0.00 N ATOM 0 H GLN A 62 5.663 9.484 5.935 1.00 0.00 H new ATOM 0 HA GLN A 62 7.727 11.160 4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.464 8.313 5.604 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.555 8.638 4.272 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.397 10.573 5.940 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.748 9.472 7.139 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.567 7.257 7.222 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.213 6.927 6.669 1.00 0.00 H new ATOM 1022 N LEU A 63 5.789 9.011 3.089 1.00 0.00 N ATOM 1023 CA LEU A 63 5.261 8.665 1.774 1.00 0.00 C ATOM 1024 C LEU A 63 4.889 9.919 0.989 1.00 0.00 C ATOM 1025 O LEU A 63 4.150 10.774 1.478 1.00 0.00 O ATOM 1026 CB LEU A 63 4.039 7.757 1.917 1.00 0.00 C ATOM 1027 CG LEU A 63 4.317 6.254 1.933 1.00 0.00 C ATOM 1028 CD1 LEU A 63 5.339 5.912 3.006 1.00 0.00 C ATOM 1029 CD2 LEU A 63 3.029 5.475 2.153 1.00 0.00 C ATOM 0 H LEU A 63 5.401 8.463 3.857 1.00 0.00 H new ATOM 0 HA LEU A 63 6.039 8.134 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.522 8.020 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.355 7.971 1.096 1.00 0.00 H new ATOM 0 HG LEU A 63 4.728 5.970 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.524 4.838 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.270 6.442 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.956 6.211 3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.247 4.407 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.588 5.763 3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.328 5.696 1.348 1.00 0.00 H new ATOM 1041 N LYS A 64 5.404 10.022 -0.231 1.00 0.00 N ATOM 1042 CA LYS A 64 5.124 11.169 -1.086 1.00 0.00 C ATOM 1043 C LYS A 64 3.916 10.900 -1.978 1.00 0.00 C ATOM 1044 O LYS A 64 3.232 11.829 -2.409 1.00 0.00 O ATOM 1045 CB LYS A 64 6.345 11.498 -1.949 1.00 0.00 C ATOM 1046 CG LYS A 64 6.465 12.972 -2.295 1.00 0.00 C ATOM 1047 CD LYS A 64 5.751 13.299 -3.596 1.00 0.00 C ATOM 1048 CE LYS A 64 5.510 14.794 -3.739 1.00 0.00 C ATOM 1049 NZ LYS A 64 4.442 15.274 -2.820 1.00 0.00 N ATOM 0 H LYS A 64 6.018 9.324 -0.650 1.00 0.00 H new ATOM 0 HA LYS A 64 4.899 12.022 -0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.246 11.182 -1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.294 10.920 -2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.045 13.572 -1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.518 13.243 -2.378 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.345 12.943 -4.438 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.798 12.771 -3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.435 15.332 -3.533 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.232 15.020 -4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.130 16.221 -3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.636 14.618 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.813 15.319 -1.850 1.00 0.00 H new ATOM 1063 N TRP A 65 3.659 9.626 -2.250 1.00 0.00 N ATOM 1064 CA TRP A 65 2.532 9.236 -3.090 1.00 0.00 C ATOM 1065 C TRP A 65 1.242 9.180 -2.278 1.00 0.00 C ATOM 1066 O TRP A 65 0.156 9.430 -2.802 1.00 0.00 O ATOM 1067 CB TRP A 65 2.799 7.878 -3.740 1.00 0.00 C ATOM 1068 CG TRP A 65 3.518 6.920 -2.840 1.00 0.00 C ATOM 1069 CD1 TRP A 65 4.864 6.862 -2.611 1.00 0.00 C ATOM 1070 CD2 TRP A 65 2.930 5.880 -2.050 1.00 0.00 C ATOM 1071 NE1 TRP A 65 5.147 5.850 -1.726 1.00 0.00 N ATOM 1072 CE2 TRP A 65 3.978 5.233 -1.366 1.00 0.00 C ATOM 1073 CE3 TRP A 65 1.621 5.435 -1.852 1.00 0.00 C ATOM 1074 CZ2 TRP A 65 3.754 4.165 -0.502 1.00 0.00 C ATOM 1075 CZ3 TRP A 65 1.400 4.374 -0.994 1.00 0.00 C ATOM 1076 CH2 TRP A 65 2.462 3.749 -0.327 1.00 0.00 C ATOM 0 H TRP A 65 4.215 8.845 -1.901 1.00 0.00 H new ATOM 0 HA TRP A 65 2.416 9.988 -3.871 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.850 7.436 -4.045 1.00 0.00 H new ATOM 0 HB3 TRP A 65 3.387 8.026 -4.645 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.597 7.516 -3.060 1.00 0.00 H new ATOM 0 HE1 TRP A 65 6.077 5.599 -1.391 1.00 0.00 H new ATOM 0 HE3 TRP A 65 0.796 5.912 -2.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 4.571 3.681 0.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.392 4.021 -0.835 1.00 0.00 H new ATOM 0 HH2 TRP A 65 2.257 2.923 0.338 1.00 0.00 H new ATOM 1087 N PHE A 66 1.368 8.850 -0.997 1.00 0.00 N ATOM 1088 CA PHE A 66 0.212 8.760 -0.113 1.00 0.00 C ATOM 1089 C PHE A 66 -0.367 10.144 0.167 1.00 0.00 C ATOM 1090 O PHE A 66 0.354 11.142 0.167 1.00 0.00 O ATOM 1091 CB PHE A 66 0.600 8.081 1.202 1.00 0.00 C ATOM 1092 CG PHE A 66 -0.525 7.313 1.835 1.00 0.00 C ATOM 1093 CD1 PHE A 66 -1.613 7.976 2.379 1.00 0.00 C ATOM 1094 CD2 PHE A 66 -0.494 5.929 1.886 1.00 0.00 C ATOM 1095 CE1 PHE A 66 -2.650 7.272 2.962 1.00 0.00 C ATOM 1096 CE2 PHE A 66 -1.528 5.220 2.467 1.00 0.00 C ATOM 1097 CZ PHE A 66 -2.607 5.892 3.007 1.00 0.00 C ATOM 0 H PHE A 66 2.259 8.640 -0.548 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.550 8.161 -0.612 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.434 7.404 1.019 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.952 8.838 1.903 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.651 9.055 2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.348 5.398 1.467 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.493 7.800 3.382 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.492 4.141 2.499 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.415 5.340 3.463 1.00 0.00 H new ATOM 1107 N ARG A 67 -1.673 10.195 0.406 1.00 0.00 N ATOM 1108 CA ARG A 67 -2.350 11.456 0.687 1.00 0.00 C ATOM 1109 C ARG A 67 -2.241 12.407 -0.501 1.00 0.00 C ATOM 1110 O ARG A 67 -2.054 13.612 -0.330 1.00 0.00 O ATOM 1111 CB ARG A 67 -1.756 12.111 1.935 1.00 0.00 C ATOM 1112 CG ARG A 67 -2.228 11.483 3.236 1.00 0.00 C ATOM 1113 CD ARG A 67 -2.262 12.500 4.366 1.00 0.00 C ATOM 1114 NE ARG A 67 -0.955 12.660 4.997 1.00 0.00 N ATOM 1115 CZ ARG A 67 -0.427 11.769 5.829 1.00 0.00 C ATOM 1116 NH1 ARG A 67 -1.090 10.661 6.128 1.00 0.00 N ATOM 1117 NH2 ARG A 67 0.768 11.986 6.364 1.00 0.00 N ATOM 0 H ARG A 67 -2.284 9.378 0.411 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.404 11.243 0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.669 12.049 1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.015 13.170 1.938 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.222 11.059 3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.566 10.660 3.505 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.598 13.462 3.978 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.990 12.186 5.114 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.418 13.502 4.788 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.009 10.490 5.719 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.682 9.979 6.767 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.282 12.837 6.136 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.173 11.301 7.003 1.00 0.00 H new ATOM 1131 N ASP A 68 -2.359 11.857 -1.705 1.00 0.00 N ATOM 1132 CA ASP A 68 -2.275 12.657 -2.922 1.00 0.00 C ATOM 1133 C ASP A 68 -3.481 12.406 -3.822 1.00 0.00 C ATOM 1134 O ASP A 68 -4.298 11.527 -3.550 1.00 0.00 O ATOM 1135 CB ASP A 68 -0.984 12.339 -3.678 1.00 0.00 C ATOM 1136 CG ASP A 68 -0.472 13.523 -4.474 1.00 0.00 C ATOM 1137 OD1 ASP A 68 -0.822 14.669 -4.122 1.00 0.00 O ATOM 1138 OD2 ASP A 68 0.278 13.305 -5.448 1.00 0.00 O ATOM 0 H ASP A 68 -2.513 10.861 -1.864 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.270 13.709 -2.636 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.219 12.024 -2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.158 11.500 -4.352 1.00 0.00 H new ATOM 1143 N ASN A 69 -3.585 13.184 -4.894 1.00 0.00 N ATOM 1144 CA ASN A 69 -4.692 13.047 -5.833 1.00 0.00 C ATOM 1145 C ASN A 69 -4.210 12.472 -7.162 1.00 0.00 C ATOM 1146 O ASN A 69 -3.952 13.210 -8.112 1.00 0.00 O ATOM 1147 CB ASN A 69 -5.363 14.403 -6.065 1.00 0.00 C ATOM 1148 CG ASN A 69 -4.357 15.510 -6.314 1.00 0.00 C ATOM 1149 OD1 ASN A 69 -4.067 15.854 -7.460 1.00 0.00 O ATOM 1150 ND2 ASN A 69 -3.820 16.074 -5.239 1.00 0.00 N ATOM 0 H ASN A 69 -2.916 13.916 -5.134 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.419 12.359 -5.401 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.038 14.330 -6.918 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.972 14.657 -5.197 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.137 16.825 -5.344 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.090 15.757 -4.308 1.00 0.00 H new ATOM 1157 N ALA A 70 -4.093 11.150 -7.220 1.00 0.00 N ATOM 1158 CA ALA A 70 -3.645 10.475 -8.433 1.00 0.00 C ATOM 1159 C ALA A 70 -4.821 9.866 -9.188 1.00 0.00 C ATOM 1160 O ALA A 70 -5.082 8.667 -9.086 1.00 0.00 O ATOM 1161 CB ALA A 70 -2.621 9.403 -8.092 1.00 0.00 C ATOM 0 H ALA A 70 -4.302 10.525 -6.442 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.177 11.216 -9.081 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.295 8.907 -9.006 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.762 9.863 -7.603 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.071 8.670 -7.422 1.00 0.00 H new ATOM 1167 N SER A 71 -5.528 10.698 -9.945 1.00 0.00 N ATOM 1168 CA SER A 71 -6.679 10.242 -10.714 1.00 0.00 C ATOM 1169 C SER A 71 -6.688 10.870 -12.105 1.00 0.00 C ATOM 1170 O SER A 71 -6.330 12.035 -12.274 1.00 0.00 O ATOM 1171 CB SER A 71 -7.977 10.583 -9.980 1.00 0.00 C ATOM 1172 OG SER A 71 -9.090 9.957 -10.594 1.00 0.00 O ATOM 0 H SER A 71 -5.324 11.693 -10.042 1.00 0.00 H new ATOM 0 HA SER A 71 -6.605 9.160 -10.824 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.905 10.265 -8.940 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.122 11.663 -9.973 1.00 0.00 H new ATOM 0 HG SER A 71 -9.907 10.189 -10.105 1.00 0.00 H new ATOM 1178 N GLY A 72 -7.098 10.087 -13.098 1.00 0.00 N ATOM 1179 CA GLY A 72 -7.146 10.583 -14.462 1.00 0.00 C ATOM 1180 C GLY A 72 -6.337 9.729 -15.417 1.00 0.00 C ATOM 1181 O GLY A 72 -5.301 9.169 -15.059 1.00 0.00 O ATOM 0 H GLY A 72 -7.398 9.119 -12.983 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.183 10.616 -14.797 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.771 11.606 -14.487 1.00 0.00 H new ATOM 1185 N PRO A 73 -6.814 9.618 -16.666 1.00 0.00 N ATOM 1186 CA PRO A 73 -6.143 8.826 -17.702 1.00 0.00 C ATOM 1187 C PRO A 73 -4.830 9.456 -18.154 1.00 0.00 C ATOM 1188 O PRO A 73 -4.663 10.674 -18.097 1.00 0.00 O ATOM 1189 CB PRO A 73 -7.155 8.816 -18.851 1.00 0.00 C ATOM 1190 CG PRO A 73 -7.968 10.048 -18.651 1.00 0.00 C ATOM 1191 CD PRO A 73 -8.043 10.257 -17.164 1.00 0.00 C ATOM 0 HA PRO A 73 -5.873 7.832 -17.345 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.655 8.825 -19.819 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.778 7.922 -18.822 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.506 10.904 -19.143 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.964 9.933 -19.080 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.077 11.316 -16.909 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.935 9.798 -16.738 1.00 0.00 H new ATOM 1199 N SER A 74 -3.902 8.618 -18.604 1.00 0.00 N ATOM 1200 CA SER A 74 -2.602 9.093 -19.063 1.00 0.00 C ATOM 1201 C SER A 74 -2.351 8.678 -20.510 1.00 0.00 C ATOM 1202 O SER A 74 -2.712 7.576 -20.922 1.00 0.00 O ATOM 1203 CB SER A 74 -1.490 8.549 -18.165 1.00 0.00 C ATOM 1204 OG SER A 74 -0.212 8.917 -18.655 1.00 0.00 O ATOM 0 H SER A 74 -4.026 7.607 -18.661 1.00 0.00 H new ATOM 0 HA SER A 74 -2.602 10.182 -19.010 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.618 8.930 -17.152 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.562 7.463 -18.109 1.00 0.00 H new ATOM 0 HG SER A 74 0.481 8.559 -18.062 1.00 0.00 H new ATOM 1210 N SER A 75 -1.731 9.570 -21.276 1.00 0.00 N ATOM 1211 CA SER A 75 -1.436 9.299 -22.678 1.00 0.00 C ATOM 1212 C SER A 75 -0.945 7.866 -22.863 1.00 0.00 C ATOM 1213 O SER A 75 0.169 7.524 -22.469 1.00 0.00 O ATOM 1214 CB SER A 75 -0.385 10.281 -23.199 1.00 0.00 C ATOM 1215 OG SER A 75 -0.005 9.965 -24.527 1.00 0.00 O ATOM 0 H SER A 75 -1.423 10.486 -20.949 1.00 0.00 H new ATOM 0 HA SER A 75 -2.356 9.426 -23.248 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.781 11.296 -23.163 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.491 10.258 -22.551 1.00 0.00 H new ATOM 0 HG SER A 75 0.666 10.608 -24.837 1.00 0.00 H new ATOM 1221 N GLY A 76 -1.787 7.032 -23.465 1.00 0.00 N ATOM 1222 CA GLY A 76 -1.422 5.645 -23.692 1.00 0.00 C ATOM 1223 C GLY A 76 -1.593 4.791 -22.452 1.00 0.00 C ATOM 1224 O GLY A 76 -1.561 3.562 -22.527 1.00 0.00 O ATOM 0 H GLY A 76 -2.715 7.291 -23.800 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.034 5.238 -24.497 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.385 5.595 -24.024 1.00 0.00 H new TER 1228 GLY A 76