USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 607 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 70 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 171:sc= -1.23 (180deg=-1.65) USER MOD Set 2.1: A 61 GLN : amide:sc= -0.875 K(o=-14,f=-13) USER MOD Set 2.2: A 64 HIS : no HE2:sc= -13.1! C(o=-14!,f=-18!) USER MOD Set 3.1: A 27 ASN : amide:sc= -7.8! C(o=-7.9!,f=-28!) USER MOD Set 3.2: A 38 LYS NZ :NH3+ 143:sc= -0.0967 (180deg=-2.2!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.31) USER MOD Single : A 4 MET CE :methyl 154:sc= -0.258 (180deg=-1.04) USER MOD Single : A 6 LYS NZ :NH3+ -150:sc= 0.0975 (180deg=-0.397!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 13 MET CE :methyl 175:sc= -2.36! (180deg=-2.76!) USER MOD Single : A 17 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -123:sc= -0.255 (180deg=-1.69) USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0814) USER MOD Single : A 33 THR OG1 : rot -170:sc= -3.12 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -169:sc= -6.72! (180deg=-7.4!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 146:sc= -0.883 (180deg=-1.83!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.153) USER MOD Single : A 60 LYS NZ :NH3+ 161:sc= -0.0232 (180deg=-0.181) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -115:sc= -3.87! (180deg=-9.91!) USER MOD Single : A 69 ASN : amide:sc= -5.21! C(o=-5.2!,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -13.576 -20.365 12.365 1.00 0.00 N ATOM 2 CA SER A 2 -13.780 -19.074 11.716 1.00 0.00 C ATOM 3 C SER A 2 -12.559 -18.178 11.893 1.00 0.00 C ATOM 4 O SER A 2 -12.679 -16.956 11.974 1.00 0.00 O ATOM 5 CB SER A 2 -15.020 -18.383 12.287 1.00 0.00 C ATOM 6 OG SER A 2 -16.179 -18.721 11.544 1.00 0.00 O ATOM 0 HA SER A 2 -13.928 -19.250 10.651 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.155 -18.673 13.329 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.877 -17.302 12.273 1.00 0.00 H new ATOM 0 HG SER A 2 -16.958 -18.269 11.929 1.00 0.00 H new ATOM 12 N HIS A 3 -11.382 -18.795 11.954 1.00 0.00 N ATOM 13 CA HIS A 3 -10.136 -18.054 12.120 1.00 0.00 C ATOM 14 C HIS A 3 -10.118 -17.315 13.455 1.00 0.00 C ATOM 15 O HIS A 3 -10.980 -16.477 13.723 1.00 0.00 O ATOM 16 CB HIS A 3 -9.949 -17.062 10.972 1.00 0.00 C ATOM 17 CG HIS A 3 -8.653 -16.314 11.032 1.00 0.00 C ATOM 18 ND1 HIS A 3 -7.525 -16.702 10.342 1.00 0.00 N ATOM 19 CD2 HIS A 3 -8.310 -15.192 11.708 1.00 0.00 C ATOM 20 CE1 HIS A 3 -6.544 -15.854 10.590 1.00 0.00 C ATOM 21 NE2 HIS A 3 -6.994 -14.927 11.415 1.00 0.00 N ATOM 0 H HIS A 3 -11.265 -19.806 11.891 1.00 0.00 H new ATOM 0 HA HIS A 3 -9.313 -18.769 12.108 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.005 -17.600 10.025 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.772 -16.348 10.982 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.951 -14.613 12.356 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.544 -15.909 10.187 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.453 -14.142 11.776 1.00 0.00 H new ATOM 30 N MET A 4 -9.130 -17.629 14.286 1.00 0.00 N ATOM 31 CA MET A 4 -9.000 -16.993 15.592 1.00 0.00 C ATOM 32 C MET A 4 -8.836 -15.483 15.449 1.00 0.00 C ATOM 33 O MET A 4 -8.272 -15.002 14.465 1.00 0.00 O ATOM 34 CB MET A 4 -7.807 -17.578 16.351 1.00 0.00 C ATOM 35 CG MET A 4 -8.107 -18.906 17.027 1.00 0.00 C ATOM 36 SD MET A 4 -8.244 -20.268 15.853 1.00 0.00 S ATOM 37 CE MET A 4 -6.601 -20.270 15.142 1.00 0.00 C ATOM 0 H MET A 4 -8.408 -18.319 14.079 1.00 0.00 H new ATOM 0 HA MET A 4 -9.912 -17.189 16.156 1.00 0.00 H new ATOM 0 HB2 MET A 4 -6.977 -17.712 15.658 1.00 0.00 H new ATOM 0 HB3 MET A 4 -7.480 -16.862 17.105 1.00 0.00 H new ATOM 0 HG2 MET A 4 -7.319 -19.129 17.746 1.00 0.00 H new ATOM 0 HG3 MET A 4 -9.037 -18.821 17.589 1.00 0.00 H new ATOM 0 HE1 MET A 4 -6.365 -21.269 14.774 1.00 0.00 H new ATOM 0 HE2 MET A 4 -6.561 -19.560 14.316 1.00 0.00 H new ATOM 0 HE3 MET A 4 -5.875 -19.983 15.903 1.00 0.00 H new ATOM 47 N PRO A 5 -9.328 -14.708 16.432 1.00 0.00 N ATOM 48 CA PRO A 5 -9.230 -13.245 16.408 1.00 0.00 C ATOM 49 C PRO A 5 -7.791 -12.768 16.223 1.00 0.00 C ATOM 50 O PRO A 5 -6.845 -13.461 16.598 1.00 0.00 O ATOM 51 CB PRO A 5 -9.779 -12.827 17.781 1.00 0.00 C ATOM 52 CG PRO A 5 -10.647 -13.958 18.205 1.00 0.00 C ATOM 53 CD PRO A 5 -10.015 -15.199 17.642 1.00 0.00 C ATOM 0 HA PRO A 5 -9.778 -12.808 15.573 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.972 -12.659 18.495 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.345 -11.898 17.714 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.714 -14.013 19.292 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.663 -13.833 17.829 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -9.316 -15.650 18.347 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.760 -15.957 17.402 1.00 0.00 H new ATOM 61 N LYS A 6 -7.631 -11.579 15.644 1.00 0.00 N ATOM 62 CA LYS A 6 -6.314 -11.006 15.409 1.00 0.00 C ATOM 63 C LYS A 6 -6.035 -9.907 16.431 1.00 0.00 C ATOM 64 O LYS A 6 -6.445 -10.015 17.587 1.00 0.00 O ATOM 65 CB LYS A 6 -6.232 -10.462 13.979 1.00 0.00 C ATOM 66 CG LYS A 6 -4.854 -10.605 13.352 1.00 0.00 C ATOM 67 CD LYS A 6 -4.757 -9.840 12.042 1.00 0.00 C ATOM 68 CE LYS A 6 -4.837 -8.338 12.266 1.00 0.00 C ATOM 69 NZ LYS A 6 -6.213 -7.815 12.040 1.00 0.00 N ATOM 0 H LYS A 6 -8.404 -10.994 15.329 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.555 -11.780 15.525 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.960 -10.984 13.358 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.513 -9.409 13.983 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.097 -10.238 14.046 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.641 -11.659 13.176 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.818 -10.085 11.545 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.561 -10.153 11.376 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.523 -8.106 13.284 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.142 -7.833 11.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.160 -6.833 11.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.695 -8.401 11.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.747 -7.845 12.932 1.00 0.00 H new ATOM 83 N ARG A 7 -5.342 -8.854 16.015 1.00 0.00 N ATOM 84 CA ARG A 7 -5.033 -7.760 16.926 1.00 0.00 C ATOM 85 C ARG A 7 -4.854 -6.421 16.200 1.00 0.00 C ATOM 86 O ARG A 7 -4.198 -5.517 16.718 1.00 0.00 O ATOM 87 CB ARG A 7 -3.794 -8.092 17.759 1.00 0.00 C ATOM 88 CG ARG A 7 -4.116 -8.379 19.220 1.00 0.00 C ATOM 89 CD ARG A 7 -4.316 -7.094 20.006 1.00 0.00 C ATOM 90 NE ARG A 7 -3.058 -6.574 20.535 1.00 0.00 N ATOM 91 CZ ARG A 7 -2.389 -7.133 21.542 1.00 0.00 C ATOM 92 NH1 ARG A 7 -2.855 -8.228 22.130 1.00 0.00 N ATOM 93 NH2 ARG A 7 -1.252 -6.596 21.961 1.00 0.00 N ATOM 0 H ARG A 7 -4.988 -8.735 15.066 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.890 -7.646 17.590 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.294 -8.959 17.326 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.093 -7.259 17.704 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.017 -8.990 19.283 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.307 -8.958 19.666 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.776 -6.344 19.363 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.007 -7.276 20.829 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.669 -5.733 20.108 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.729 -8.645 21.811 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.339 -8.652 22.901 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.889 -5.755 21.512 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.740 -7.024 22.732 1.00 0.00 H new ATOM 107 N ALA A 8 -5.475 -6.283 15.024 1.00 0.00 N ATOM 108 CA ALA A 8 -5.427 -5.031 14.254 1.00 0.00 C ATOM 109 C ALA A 8 -4.172 -4.866 13.402 1.00 0.00 C ATOM 110 O ALA A 8 -3.236 -5.662 13.459 1.00 0.00 O ATOM 111 CB ALA A 8 -5.594 -3.835 15.171 1.00 0.00 C ATOM 0 H ALA A 8 -6.019 -7.024 14.582 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.261 -5.087 13.555 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.556 -2.918 14.583 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.555 -3.899 15.681 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.791 -3.827 15.908 1.00 0.00 H new ATOM 117 N THR A 9 -4.213 -3.815 12.580 1.00 0.00 N ATOM 118 CA THR A 9 -3.145 -3.479 11.641 1.00 0.00 C ATOM 119 C THR A 9 -2.534 -2.105 11.949 1.00 0.00 C ATOM 120 O THR A 9 -3.248 -1.170 12.297 1.00 0.00 O ATOM 121 CB THR A 9 -3.748 -3.465 10.242 1.00 0.00 C ATOM 122 OG1 THR A 9 -4.873 -4.323 10.170 1.00 0.00 O ATOM 123 CG2 THR A 9 -2.788 -3.891 9.175 1.00 0.00 C ATOM 0 H THR A 9 -5.000 -3.166 12.549 1.00 0.00 H new ATOM 0 HA THR A 9 -2.347 -4.217 11.723 1.00 0.00 H new ATOM 0 HB THR A 9 -4.028 -2.427 10.063 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.246 -4.298 9.264 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.284 -3.857 8.205 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.930 -3.218 9.168 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.450 -4.908 9.375 1.00 0.00 H new ATOM 131 N THR A 10 -1.208 -1.987 11.821 1.00 0.00 N ATOM 132 CA THR A 10 -0.514 -0.730 12.086 1.00 0.00 C ATOM 133 C THR A 10 -0.844 0.309 11.038 1.00 0.00 C ATOM 134 O THR A 10 -1.161 -0.020 9.897 1.00 0.00 O ATOM 135 CB THR A 10 1.001 -0.954 12.137 1.00 0.00 C ATOM 136 OG1 THR A 10 1.320 -2.310 11.880 1.00 0.00 O ATOM 137 CG2 THR A 10 1.614 -0.587 13.471 1.00 0.00 C ATOM 0 H THR A 10 -0.596 -2.751 11.535 1.00 0.00 H new ATOM 0 HA THR A 10 -0.854 -0.362 13.054 1.00 0.00 H new ATOM 0 HB THR A 10 1.414 -0.299 11.369 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.292 -2.430 11.916 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.688 -0.769 13.440 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.431 0.467 13.678 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.165 -1.194 14.257 1.00 0.00 H new ATOM 145 N ALA A 11 -0.744 1.572 11.439 1.00 0.00 N ATOM 146 CA ALA A 11 -1.004 2.685 10.545 1.00 0.00 C ATOM 147 C ALA A 11 -0.326 2.418 9.220 1.00 0.00 C ATOM 148 O ALA A 11 -0.902 2.610 8.150 1.00 0.00 O ATOM 149 CB ALA A 11 -0.493 3.981 11.153 1.00 0.00 C ATOM 0 H ALA A 11 -0.482 1.847 12.386 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.078 2.786 10.389 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.695 4.807 10.471 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.998 4.162 12.102 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.581 3.905 11.323 1.00 0.00 H new ATOM 155 N PHE A 12 0.918 1.977 9.318 1.00 0.00 N ATOM 156 CA PHE A 12 1.733 1.674 8.152 1.00 0.00 C ATOM 157 C PHE A 12 1.207 0.457 7.410 1.00 0.00 C ATOM 158 O PHE A 12 1.343 0.346 6.193 1.00 0.00 O ATOM 159 CB PHE A 12 3.162 1.397 8.607 1.00 0.00 C ATOM 160 CG PHE A 12 4.198 1.487 7.515 1.00 0.00 C ATOM 161 CD1 PHE A 12 3.920 2.096 6.298 1.00 0.00 C ATOM 162 CD2 PHE A 12 5.457 0.949 7.712 1.00 0.00 C ATOM 163 CE1 PHE A 12 4.881 2.161 5.309 1.00 0.00 C ATOM 164 CE2 PHE A 12 6.420 1.013 6.725 1.00 0.00 C ATOM 165 CZ PHE A 12 6.131 1.619 5.522 1.00 0.00 C ATOM 0 H PHE A 12 1.391 1.819 10.208 1.00 0.00 H new ATOM 0 HA PHE A 12 1.699 2.529 7.477 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.422 2.104 9.395 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.202 0.400 9.047 1.00 0.00 H new ATOM 0 HD1 PHE A 12 2.943 2.523 6.124 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.690 0.472 8.652 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.653 2.637 4.367 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.398 0.589 6.896 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.882 1.669 4.747 1.00 0.00 H new ATOM 175 N MET A 13 0.632 -0.468 8.156 1.00 0.00 N ATOM 176 CA MET A 13 0.117 -1.680 7.576 1.00 0.00 C ATOM 177 C MET A 13 -1.239 -1.429 6.952 1.00 0.00 C ATOM 178 O MET A 13 -1.415 -1.598 5.746 1.00 0.00 O ATOM 179 CB MET A 13 0.021 -2.775 8.638 1.00 0.00 C ATOM 180 CG MET A 13 1.362 -3.403 8.986 1.00 0.00 C ATOM 181 SD MET A 13 1.601 -5.017 8.215 1.00 0.00 S ATOM 182 CE MET A 13 0.725 -4.792 6.670 1.00 0.00 C ATOM 0 H MET A 13 0.513 -0.397 9.167 1.00 0.00 H new ATOM 0 HA MET A 13 0.801 -2.012 6.795 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.420 -2.355 9.542 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.655 -3.554 8.285 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.163 -2.734 8.673 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.439 -3.508 10.068 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.858 -5.675 6.044 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.336 -4.647 6.871 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.119 -3.918 6.152 1.00 0.00 H new ATOM 192 N LEU A 14 -2.211 -1.064 7.777 1.00 0.00 N ATOM 193 CA LEU A 14 -3.557 -0.843 7.294 1.00 0.00 C ATOM 194 C LEU A 14 -3.604 0.093 6.091 1.00 0.00 C ATOM 195 O LEU A 14 -4.483 -0.042 5.238 1.00 0.00 O ATOM 196 CB LEU A 14 -4.481 -0.432 8.466 1.00 0.00 C ATOM 197 CG LEU A 14 -4.780 1.052 8.746 1.00 0.00 C ATOM 198 CD1 LEU A 14 -3.958 1.530 9.915 1.00 0.00 C ATOM 199 CD2 LEU A 14 -4.567 1.967 7.562 1.00 0.00 C ATOM 0 H LEU A 14 -2.088 -0.917 8.779 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.948 -1.782 6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.439 -0.928 8.309 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.051 -0.850 9.376 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.844 1.102 8.975 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.175 2.581 10.107 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.205 0.941 10.798 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.899 1.414 9.686 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.801 2.993 7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.528 1.908 7.239 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.219 1.661 6.744 1.00 0.00 H new ATOM 211 N TRP A 15 -2.655 1.019 5.994 1.00 0.00 N ATOM 212 CA TRP A 15 -2.625 1.925 4.854 1.00 0.00 C ATOM 213 C TRP A 15 -1.882 1.257 3.721 1.00 0.00 C ATOM 214 O TRP A 15 -2.301 1.311 2.568 1.00 0.00 O ATOM 215 CB TRP A 15 -1.950 3.257 5.189 1.00 0.00 C ATOM 216 CG TRP A 15 -1.151 3.810 4.040 1.00 0.00 C ATOM 217 CD1 TRP A 15 -1.543 4.758 3.138 1.00 0.00 C ATOM 218 CD2 TRP A 15 0.175 3.424 3.662 1.00 0.00 C ATOM 219 NE1 TRP A 15 -0.537 4.985 2.223 1.00 0.00 N ATOM 220 CE2 TRP A 15 0.529 4.174 2.526 1.00 0.00 C ATOM 221 CE3 TRP A 15 1.100 2.516 4.177 1.00 0.00 C ATOM 222 CZ2 TRP A 15 1.773 4.029 1.905 1.00 0.00 C ATOM 223 CZ3 TRP A 15 2.319 2.388 3.549 1.00 0.00 C ATOM 224 CH2 TRP A 15 2.633 3.135 2.438 1.00 0.00 C ATOM 0 H TRP A 15 -1.911 1.160 6.677 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.654 2.144 4.570 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.711 3.982 5.479 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -1.295 3.121 6.049 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.501 5.257 3.141 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.578 5.647 1.448 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.865 1.925 5.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 2.036 4.609 1.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.043 1.687 3.937 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.600 3.002 1.976 1.00 0.00 H new ATOM 235 N LEU A 16 -0.787 0.596 4.070 1.00 0.00 N ATOM 236 CA LEU A 16 -0.009 -0.111 3.079 1.00 0.00 C ATOM 237 C LEU A 16 -0.839 -1.230 2.513 1.00 0.00 C ATOM 238 O LEU A 16 -0.550 -1.753 1.462 1.00 0.00 O ATOM 239 CB LEU A 16 1.272 -0.698 3.659 1.00 0.00 C ATOM 240 CG LEU A 16 2.089 -1.495 2.643 1.00 0.00 C ATOM 241 CD1 LEU A 16 2.661 -0.563 1.594 1.00 0.00 C ATOM 242 CD2 LEU A 16 3.200 -2.273 3.330 1.00 0.00 C ATOM 0 H LEU A 16 -0.426 0.538 5.022 1.00 0.00 H new ATOM 0 HA LEU A 16 0.271 0.605 2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.887 0.111 4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.019 -1.345 4.498 1.00 0.00 H new ATOM 0 HG LEU A 16 1.430 -2.213 2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.242 -1.139 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.848 -0.052 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.305 0.173 2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.767 -2.832 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.864 -1.580 3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.767 -2.966 4.051 1.00 0.00 H new ATOM 254 N ASN A 17 -1.881 -1.592 3.215 1.00 0.00 N ATOM 255 CA ASN A 17 -2.759 -2.643 2.787 1.00 0.00 C ATOM 256 C ASN A 17 -3.581 -2.179 1.588 1.00 0.00 C ATOM 257 O ASN A 17 -3.562 -2.770 0.480 1.00 0.00 O ATOM 258 CB ASN A 17 -3.688 -2.963 3.973 1.00 0.00 C ATOM 259 CG ASN A 17 -3.687 -4.424 4.363 1.00 0.00 C ATOM 260 OD1 ASN A 17 -3.503 -5.308 3.527 1.00 0.00 O ATOM 261 ND2 ASN A 17 -3.896 -4.677 5.650 1.00 0.00 N ATOM 0 H ASN A 17 -2.143 -1.163 4.102 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.195 -3.526 2.486 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.385 -2.365 4.833 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.705 -2.664 3.719 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.909 -5.640 5.985 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.043 -3.908 6.304 1.00 0.00 H new ATOM 268 N ASP A 18 -4.211 -1.037 1.810 1.00 0.00 N ATOM 269 CA ASP A 18 -5.014 -0.397 0.805 1.00 0.00 C ATOM 270 C ASP A 18 -4.145 0.217 -0.261 1.00 0.00 C ATOM 271 O ASP A 18 -4.570 0.372 -1.405 1.00 0.00 O ATOM 272 CB ASP A 18 -5.909 0.671 1.434 1.00 0.00 C ATOM 273 CG ASP A 18 -7.117 0.076 2.131 1.00 0.00 C ATOM 274 OD1 ASP A 18 -8.140 -0.155 1.453 1.00 0.00 O ATOM 275 OD2 ASP A 18 -7.040 -0.162 3.355 1.00 0.00 O ATOM 0 H ASP A 18 -4.174 -0.534 2.697 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.646 -1.155 0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.328 1.251 2.151 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.243 1.363 0.661 1.00 0.00 H new ATOM 280 N THR A 19 -2.927 0.581 0.109 1.00 0.00 N ATOM 281 CA THR A 19 -2.014 1.190 -0.822 1.00 0.00 C ATOM 282 C THR A 19 -0.978 0.203 -1.331 1.00 0.00 C ATOM 283 O THR A 19 -0.449 0.403 -2.408 1.00 0.00 O ATOM 284 CB THR A 19 -1.342 2.366 -0.140 1.00 0.00 C ATOM 285 OG1 THR A 19 -1.782 3.594 -0.693 1.00 0.00 O ATOM 286 CG2 THR A 19 0.167 2.348 -0.194 1.00 0.00 C ATOM 0 H THR A 19 -2.555 0.461 1.051 1.00 0.00 H new ATOM 0 HA THR A 19 -2.575 1.530 -1.692 1.00 0.00 H new ATOM 0 HB THR A 19 -1.635 2.271 0.906 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.336 4.337 -0.236 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.560 3.226 0.318 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.538 1.447 0.294 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.494 2.358 -1.234 1.00 0.00 H new ATOM 294 N ARG A 20 -0.696 -0.874 -0.586 1.00 0.00 N ATOM 295 CA ARG A 20 0.278 -1.858 -1.067 1.00 0.00 C ATOM 296 C ARG A 20 -0.195 -2.318 -2.400 1.00 0.00 C ATOM 297 O ARG A 20 0.584 -2.539 -3.328 1.00 0.00 O ATOM 298 CB ARG A 20 0.431 -3.077 -0.158 1.00 0.00 C ATOM 299 CG ARG A 20 -0.727 -4.046 -0.262 1.00 0.00 C ATOM 300 CD ARG A 20 -0.840 -4.906 0.979 1.00 0.00 C ATOM 301 NE ARG A 20 -0.381 -6.273 0.744 1.00 0.00 N ATOM 302 CZ ARG A 20 -1.030 -7.153 -0.015 1.00 0.00 C ATOM 303 NH1 ARG A 20 -2.165 -6.813 -0.613 1.00 0.00 N ATOM 304 NH2 ARG A 20 -0.543 -8.376 -0.177 1.00 0.00 N ATOM 0 H ARG A 20 -1.113 -1.081 0.322 1.00 0.00 H new ATOM 0 HA ARG A 20 1.255 -1.376 -1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.355 -3.597 -0.410 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.525 -2.743 0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.655 -3.493 -0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.594 -4.682 -1.137 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.254 -4.460 1.783 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.877 -4.925 1.313 1.00 0.00 H new ATOM 0 HE ARG A 20 0.488 -6.571 1.188 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.544 -5.874 -0.492 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.659 -7.491 -1.194 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.329 -8.642 0.280 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.041 -9.050 -0.759 1.00 0.00 H new ATOM 318 N GLU A 21 -1.509 -2.406 -2.500 1.00 0.00 N ATOM 319 CA GLU A 21 -2.101 -2.783 -3.768 1.00 0.00 C ATOM 320 C GLU A 21 -1.745 -1.693 -4.782 1.00 0.00 C ATOM 321 O GLU A 21 -1.442 -1.958 -5.949 1.00 0.00 O ATOM 322 CB GLU A 21 -3.623 -2.948 -3.622 1.00 0.00 C ATOM 323 CG GLU A 21 -4.437 -2.315 -4.742 1.00 0.00 C ATOM 324 CD GLU A 21 -5.832 -2.895 -4.848 1.00 0.00 C ATOM 325 OE1 GLU A 21 -5.968 -4.025 -5.364 1.00 0.00 O ATOM 326 OE2 GLU A 21 -6.791 -2.221 -4.417 1.00 0.00 O ATOM 0 H GLU A 21 -2.169 -2.227 -1.743 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.714 -3.743 -4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.858 -4.011 -3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.934 -2.511 -2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.506 -1.240 -4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.916 -2.456 -5.689 1.00 0.00 H new ATOM 333 N SER A 22 -1.819 -0.459 -4.296 1.00 0.00 N ATOM 334 CA SER A 22 -1.547 0.719 -5.110 1.00 0.00 C ATOM 335 C SER A 22 -0.067 0.839 -5.459 1.00 0.00 C ATOM 336 O SER A 22 0.313 1.588 -6.358 1.00 0.00 O ATOM 337 CB SER A 22 -2.016 1.982 -4.385 1.00 0.00 C ATOM 338 OG SER A 22 -2.582 2.911 -5.293 1.00 0.00 O ATOM 0 H SER A 22 -2.068 -0.248 -3.330 1.00 0.00 H new ATOM 0 HA SER A 22 -2.101 0.608 -6.042 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.751 1.717 -3.625 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.174 2.442 -3.867 1.00 0.00 H new ATOM 0 HG SER A 22 -2.875 3.709 -4.805 1.00 0.00 H new ATOM 344 N ILE A 23 0.761 0.120 -4.720 1.00 0.00 N ATOM 345 CA ILE A 23 2.198 0.165 -4.919 1.00 0.00 C ATOM 346 C ILE A 23 2.644 -0.786 -6.006 1.00 0.00 C ATOM 347 O ILE A 23 3.463 -0.432 -6.852 1.00 0.00 O ATOM 348 CB ILE A 23 2.943 -0.179 -3.628 1.00 0.00 C ATOM 349 CG1 ILE A 23 2.238 0.473 -2.439 1.00 0.00 C ATOM 350 CG2 ILE A 23 4.397 0.255 -3.736 1.00 0.00 C ATOM 351 CD1 ILE A 23 3.146 0.887 -1.300 1.00 0.00 C ATOM 0 H ILE A 23 0.459 -0.505 -3.973 1.00 0.00 H new ATOM 0 HA ILE A 23 2.438 1.185 -5.221 1.00 0.00 H new ATOM 0 HB ILE A 23 2.934 -1.257 -3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.701 1.353 -2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.492 -0.222 -2.054 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.920 0.007 -2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.870 -0.261 -4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.444 1.331 -3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.551 1.339 -0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.664 0.011 -0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.877 1.610 -1.662 1.00 0.00 H new ATOM 363 N LYS A 24 2.107 -1.997 -5.989 1.00 0.00 N ATOM 364 CA LYS A 24 2.481 -2.967 -6.995 1.00 0.00 C ATOM 365 C LYS A 24 1.967 -2.529 -8.360 1.00 0.00 C ATOM 366 O LYS A 24 2.585 -2.806 -9.385 1.00 0.00 O ATOM 367 CB LYS A 24 1.974 -4.359 -6.640 1.00 0.00 C ATOM 368 CG LYS A 24 3.034 -5.438 -6.776 1.00 0.00 C ATOM 369 CD LYS A 24 3.742 -5.692 -5.455 1.00 0.00 C ATOM 370 CE LYS A 24 3.551 -7.128 -4.989 1.00 0.00 C ATOM 371 NZ LYS A 24 2.341 -7.284 -4.133 1.00 0.00 N ATOM 0 H LYS A 24 1.426 -2.323 -5.303 1.00 0.00 H new ATOM 0 HA LYS A 24 3.569 -3.019 -7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.602 -4.352 -5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.130 -4.606 -7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.572 -6.361 -7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.763 -5.141 -7.530 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.806 -5.482 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.359 -5.008 -4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.467 -7.782 -5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.432 -7.448 -4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.616 -7.685 -3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.897 -6.355 -3.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.665 -7.921 -4.600 1.00 0.00 H new ATOM 385 N ARG A 25 0.849 -1.808 -8.365 1.00 0.00 N ATOM 386 CA ARG A 25 0.290 -1.297 -9.613 1.00 0.00 C ATOM 387 C ARG A 25 1.195 -0.179 -10.113 1.00 0.00 C ATOM 388 O ARG A 25 1.576 -0.132 -11.283 1.00 0.00 O ATOM 389 CB ARG A 25 -1.133 -0.777 -9.398 1.00 0.00 C ATOM 390 CG ARG A 25 -2.124 -1.859 -9.003 1.00 0.00 C ATOM 391 CD ARG A 25 -3.488 -1.273 -8.673 1.00 0.00 C ATOM 392 NE ARG A 25 -4.114 -0.655 -9.840 1.00 0.00 N ATOM 393 CZ ARG A 25 -4.730 -1.339 -10.801 1.00 0.00 C ATOM 394 NH1 ARG A 25 -4.807 -2.663 -10.738 1.00 0.00 N ATOM 395 NH2 ARG A 25 -5.273 -0.699 -11.828 1.00 0.00 N ATOM 0 H ARG A 25 0.317 -1.566 -7.529 1.00 0.00 H new ATOM 0 HA ARG A 25 0.238 -2.098 -10.351 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.117 -0.010 -8.623 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.478 -0.297 -10.314 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.223 -2.578 -9.817 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.743 -2.405 -8.140 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.137 -2.059 -8.287 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.382 -0.530 -7.882 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.077 0.361 -9.923 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.393 -3.161 -9.950 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.280 -3.182 -11.477 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.219 0.318 -11.882 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.745 -1.224 -12.564 1.00 0.00 H new ATOM 409 N GLU A 26 1.555 0.694 -9.181 1.00 0.00 N ATOM 410 CA GLU A 26 2.449 1.804 -9.464 1.00 0.00 C ATOM 411 C GLU A 26 3.848 1.260 -9.731 1.00 0.00 C ATOM 412 O GLU A 26 4.708 1.953 -10.277 1.00 0.00 O ATOM 413 CB GLU A 26 2.476 2.786 -8.291 1.00 0.00 C ATOM 414 CG GLU A 26 1.180 3.560 -8.116 1.00 0.00 C ATOM 415 CD GLU A 26 1.238 4.943 -8.733 1.00 0.00 C ATOM 416 OE1 GLU A 26 2.207 5.679 -8.449 1.00 0.00 O ATOM 417 OE2 GLU A 26 0.317 5.291 -9.501 1.00 0.00 O ATOM 0 H GLU A 26 1.236 0.651 -8.213 1.00 0.00 H new ATOM 0 HA GLU A 26 2.091 2.340 -10.343 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.689 2.237 -7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.294 3.491 -8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.362 2.999 -8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.956 3.650 -7.053 1.00 0.00 H new ATOM 424 N ASN A 27 4.052 -0.002 -9.354 1.00 0.00 N ATOM 425 CA ASN A 27 5.319 -0.678 -9.555 1.00 0.00 C ATOM 426 C ASN A 27 5.067 -2.142 -9.905 1.00 0.00 C ATOM 427 O ASN A 27 5.216 -3.026 -9.062 1.00 0.00 O ATOM 428 CB ASN A 27 6.190 -0.577 -8.301 1.00 0.00 C ATOM 429 CG ASN A 27 5.954 0.698 -7.511 1.00 0.00 C ATOM 430 OD1 ASN A 27 5.617 0.654 -6.328 1.00 0.00 O ATOM 431 ND2 ASN A 27 6.132 1.840 -8.160 1.00 0.00 N ATOM 0 H ASN A 27 3.341 -0.577 -8.902 1.00 0.00 H new ATOM 0 HA ASN A 27 5.849 -0.196 -10.377 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.993 -1.436 -7.660 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.240 -0.629 -8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.989 2.728 -7.679 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.412 1.831 -9.141 1.00 0.00 H new ATOM 438 N PRO A 28 4.650 -2.415 -11.157 1.00 0.00 N ATOM 439 CA PRO A 28 4.339 -3.778 -11.615 1.00 0.00 C ATOM 440 C PRO A 28 5.575 -4.639 -11.863 1.00 0.00 C ATOM 441 O PRO A 28 5.643 -5.365 -12.855 1.00 0.00 O ATOM 442 CB PRO A 28 3.589 -3.540 -12.926 1.00 0.00 C ATOM 443 CG PRO A 28 4.119 -2.244 -13.433 1.00 0.00 C ATOM 444 CD PRO A 28 4.418 -1.412 -12.215 1.00 0.00 C ATOM 0 HA PRO A 28 3.775 -4.329 -10.862 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.768 -4.347 -13.637 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.512 -3.491 -12.763 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.017 -2.397 -14.031 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.390 -1.749 -14.074 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.293 -0.780 -12.366 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.587 -0.752 -11.966 1.00 0.00 H new ATOM 452 N GLY A 29 6.541 -4.567 -10.959 1.00 0.00 N ATOM 453 CA GLY A 29 7.748 -5.356 -11.098 1.00 0.00 C ATOM 454 C GLY A 29 8.586 -5.356 -9.835 1.00 0.00 C ATOM 455 O GLY A 29 9.787 -5.619 -9.881 1.00 0.00 O ATOM 0 H GLY A 29 6.510 -3.974 -10.129 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.481 -6.381 -11.354 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.341 -4.965 -11.925 1.00 0.00 H new ATOM 459 N ILE A 30 7.956 -5.046 -8.704 1.00 0.00 N ATOM 460 CA ILE A 30 8.660 -5.000 -7.441 1.00 0.00 C ATOM 461 C ILE A 30 8.559 -6.317 -6.686 1.00 0.00 C ATOM 462 O ILE A 30 8.465 -7.391 -7.280 1.00 0.00 O ATOM 463 CB ILE A 30 8.149 -3.843 -6.554 1.00 0.00 C ATOM 464 CG1 ILE A 30 6.776 -4.151 -5.932 1.00 0.00 C ATOM 465 CG2 ILE A 30 8.080 -2.578 -7.367 1.00 0.00 C ATOM 466 CD1 ILE A 30 6.158 -2.970 -5.206 1.00 0.00 C ATOM 0 H ILE A 30 6.962 -4.825 -8.644 1.00 0.00 H new ATOM 0 HA ILE A 30 9.710 -4.824 -7.675 1.00 0.00 H new ATOM 0 HB ILE A 30 8.853 -3.717 -5.731 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.096 -4.480 -6.718 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.881 -4.981 -5.234 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.719 -1.762 -6.741 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.073 -2.334 -7.745 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.398 -2.721 -8.205 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.192 -3.261 -4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.817 -2.654 -4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.020 -2.145 -5.905 1.00 0.00 H new ATOM 478 N LYS A 31 8.598 -6.210 -5.373 1.00 0.00 N ATOM 479 CA LYS A 31 8.536 -7.336 -4.497 1.00 0.00 C ATOM 480 C LYS A 31 7.832 -6.951 -3.217 1.00 0.00 C ATOM 481 O LYS A 31 7.895 -5.812 -2.764 1.00 0.00 O ATOM 482 CB LYS A 31 9.951 -7.822 -4.213 1.00 0.00 C ATOM 483 CG LYS A 31 10.749 -6.904 -3.300 1.00 0.00 C ATOM 484 CD LYS A 31 12.112 -7.490 -2.972 1.00 0.00 C ATOM 485 CE LYS A 31 13.008 -7.535 -4.199 1.00 0.00 C ATOM 486 NZ LYS A 31 13.448 -6.175 -4.616 1.00 0.00 N ATOM 0 H LYS A 31 8.675 -5.316 -4.888 1.00 0.00 H new ATOM 0 HA LYS A 31 7.972 -8.143 -4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.900 -8.812 -3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.484 -7.930 -5.158 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.875 -5.933 -3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.193 -6.734 -2.378 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.588 -6.893 -2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.990 -8.497 -2.572 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.882 -8.150 -3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.474 -8.012 -5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.186 -6.257 -5.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.637 -5.651 -5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.829 -5.666 -3.793 1.00 0.00 H new ATOM 500 N VAL A 32 7.178 -7.929 -2.652 1.00 0.00 N ATOM 501 CA VAL A 32 6.447 -7.797 -1.406 1.00 0.00 C ATOM 502 C VAL A 32 7.114 -6.817 -0.434 1.00 0.00 C ATOM 503 O VAL A 32 6.442 -6.117 0.326 1.00 0.00 O ATOM 504 CB VAL A 32 6.361 -9.186 -0.742 1.00 0.00 C ATOM 505 CG1 VAL A 32 7.193 -10.202 -1.517 1.00 0.00 C ATOM 506 CG2 VAL A 32 6.817 -9.142 0.701 1.00 0.00 C ATOM 0 H VAL A 32 7.133 -8.867 -3.050 1.00 0.00 H new ATOM 0 HA VAL A 32 5.458 -7.402 -1.636 1.00 0.00 H new ATOM 0 HB VAL A 32 5.315 -9.491 -0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.120 -11.176 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.819 -10.275 -2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.235 -9.882 -1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.743 -10.138 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.852 -8.803 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.185 -8.453 1.261 1.00 0.00 H new ATOM 516 N THR A 33 8.437 -6.816 -0.442 1.00 0.00 N ATOM 517 CA THR A 33 9.222 -5.969 0.465 1.00 0.00 C ATOM 518 C THR A 33 9.445 -4.557 -0.079 1.00 0.00 C ATOM 519 O THR A 33 9.672 -3.616 0.691 1.00 0.00 O ATOM 520 CB THR A 33 10.571 -6.625 0.764 1.00 0.00 C ATOM 521 OG1 THR A 33 11.230 -6.995 -0.434 1.00 0.00 O ATOM 522 CG2 THR A 33 10.457 -7.862 1.630 1.00 0.00 C ATOM 0 H THR A 33 9.000 -7.393 -1.067 1.00 0.00 H new ATOM 0 HA THR A 33 8.641 -5.872 1.382 1.00 0.00 H new ATOM 0 HB THR A 33 11.141 -5.872 1.308 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.009 -7.550 -0.221 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.450 -8.277 1.804 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.002 -7.597 2.585 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.837 -8.603 1.126 1.00 0.00 H new ATOM 530 N GLU A 34 9.341 -4.387 -1.388 1.00 0.00 N ATOM 531 CA GLU A 34 9.502 -3.070 -1.981 1.00 0.00 C ATOM 532 C GLU A 34 8.270 -2.239 -1.674 1.00 0.00 C ATOM 533 O GLU A 34 8.351 -1.033 -1.474 1.00 0.00 O ATOM 534 CB GLU A 34 9.711 -3.179 -3.494 1.00 0.00 C ATOM 535 CG GLU A 34 9.349 -1.917 -4.269 1.00 0.00 C ATOM 536 CD GLU A 34 10.419 -1.516 -5.265 1.00 0.00 C ATOM 537 OE1 GLU A 34 11.234 -2.384 -5.643 1.00 0.00 O ATOM 538 OE2 GLU A 34 10.442 -0.334 -5.668 1.00 0.00 O ATOM 0 H GLU A 34 9.148 -5.136 -2.053 1.00 0.00 H new ATOM 0 HA GLU A 34 10.383 -2.588 -1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.755 -3.424 -3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.113 -4.008 -3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.409 -2.077 -4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.186 -1.099 -3.568 1.00 0.00 H new ATOM 545 N ILE A 35 7.126 -2.905 -1.637 1.00 0.00 N ATOM 546 CA ILE A 35 5.871 -2.249 -1.352 1.00 0.00 C ATOM 547 C ILE A 35 5.927 -1.632 0.028 1.00 0.00 C ATOM 548 O ILE A 35 5.461 -0.513 0.256 1.00 0.00 O ATOM 549 CB ILE A 35 4.698 -3.247 -1.393 1.00 0.00 C ATOM 550 CG1 ILE A 35 4.727 -4.071 -2.679 1.00 0.00 C ATOM 551 CG2 ILE A 35 3.378 -2.519 -1.261 1.00 0.00 C ATOM 552 CD1 ILE A 35 4.264 -5.496 -2.481 1.00 0.00 C ATOM 0 H ILE A 35 7.047 -3.908 -1.803 1.00 0.00 H new ATOM 0 HA ILE A 35 5.712 -1.483 -2.111 1.00 0.00 H new ATOM 0 HB ILE A 35 4.805 -3.930 -0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.095 -3.590 -3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.742 -4.077 -3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.561 -3.239 -1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.352 -1.981 -0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.269 -1.811 -2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.308 -6.028 -3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.911 -5.992 -1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.239 -5.497 -2.112 1.00 0.00 H new ATOM 564 N ALA A 36 6.501 -2.390 0.949 1.00 0.00 N ATOM 565 CA ALA A 36 6.617 -1.956 2.320 1.00 0.00 C ATOM 566 C ALA A 36 7.596 -0.799 2.485 1.00 0.00 C ATOM 567 O ALA A 36 7.489 -0.026 3.436 1.00 0.00 O ATOM 568 CB ALA A 36 7.021 -3.123 3.209 1.00 0.00 C ATOM 0 H ALA A 36 6.894 -3.313 0.764 1.00 0.00 H new ATOM 0 HA ALA A 36 5.637 -1.590 2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.105 -2.782 4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.266 -3.907 3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.982 -3.517 2.878 1.00 0.00 H new ATOM 574 N LYS A 37 8.563 -0.685 1.579 1.00 0.00 N ATOM 575 CA LYS A 37 9.558 0.381 1.674 1.00 0.00 C ATOM 576 C LYS A 37 9.143 1.622 0.889 1.00 0.00 C ATOM 577 O LYS A 37 9.117 2.737 1.430 1.00 0.00 O ATOM 578 CB LYS A 37 10.914 -0.117 1.172 1.00 0.00 C ATOM 579 CG LYS A 37 12.096 0.475 1.923 1.00 0.00 C ATOM 580 CD LYS A 37 13.326 -0.411 1.814 1.00 0.00 C ATOM 581 CE LYS A 37 14.274 0.082 0.732 1.00 0.00 C ATOM 582 NZ LYS A 37 13.954 -0.508 -0.598 1.00 0.00 N ATOM 0 H LYS A 37 8.679 -1.308 0.780 1.00 0.00 H new ATOM 0 HA LYS A 37 9.635 0.661 2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.947 -1.203 1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.010 0.122 0.113 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.323 1.464 1.525 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.833 0.606 2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.846 -0.433 2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.021 -1.434 1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.220 1.169 0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.299 -0.171 1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.623 -0.147 -1.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.030 -1.544 -0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.985 -0.246 -0.870 1.00 0.00 H new ATOM 596 N LYS A 38 8.808 1.434 -0.384 1.00 0.00 N ATOM 597 CA LYS A 38 8.397 2.542 -1.227 1.00 0.00 C ATOM 598 C LYS A 38 7.048 3.098 -0.784 1.00 0.00 C ATOM 599 O LYS A 38 6.634 4.170 -1.226 1.00 0.00 O ATOM 600 CB LYS A 38 8.353 2.102 -2.697 1.00 0.00 C ATOM 601 CG LYS A 38 6.953 1.862 -3.251 1.00 0.00 C ATOM 602 CD LYS A 38 6.313 3.158 -3.729 1.00 0.00 C ATOM 603 CE LYS A 38 6.185 3.197 -5.243 1.00 0.00 C ATOM 604 NZ LYS A 38 4.774 3.010 -5.684 1.00 0.00 N ATOM 0 H LYS A 38 8.814 0.526 -0.849 1.00 0.00 H new ATOM 0 HA LYS A 38 9.132 3.341 -1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.843 2.863 -3.304 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.933 1.186 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.004 1.154 -4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.329 1.409 -2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.327 3.265 -3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.911 4.005 -3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.559 4.151 -5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.809 2.418 -5.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.587 3.611 -6.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.619 2.013 -5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.131 3.275 -4.911 1.00 0.00 H new ATOM 618 N GLY A 39 6.380 2.382 0.110 1.00 0.00 N ATOM 619 CA GLY A 39 5.117 2.850 0.603 1.00 0.00 C ATOM 620 C GLY A 39 5.308 3.798 1.767 1.00 0.00 C ATOM 621 O GLY A 39 4.690 4.857 1.837 1.00 0.00 O ATOM 0 H GLY A 39 6.694 1.492 0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.575 3.355 -0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.508 2.002 0.916 1.00 0.00 H new ATOM 625 N GLY A 40 6.179 3.415 2.678 1.00 0.00 N ATOM 626 CA GLY A 40 6.463 4.240 3.837 1.00 0.00 C ATOM 627 C GLY A 40 6.876 5.638 3.443 1.00 0.00 C ATOM 628 O GLY A 40 6.406 6.618 4.021 1.00 0.00 O ATOM 0 H GLY A 40 6.702 2.540 2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.580 4.288 4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.256 3.779 4.426 1.00 0.00 H new ATOM 632 N GLU A 41 7.745 5.734 2.443 1.00 0.00 N ATOM 633 CA GLU A 41 8.202 7.034 1.965 1.00 0.00 C ATOM 634 C GLU A 41 7.011 7.923 1.616 1.00 0.00 C ATOM 635 O GLU A 41 6.957 9.090 2.002 1.00 0.00 O ATOM 636 CB GLU A 41 9.092 6.861 0.736 1.00 0.00 C ATOM 637 CG GLU A 41 8.434 6.050 -0.366 1.00 0.00 C ATOM 638 CD GLU A 41 9.374 5.763 -1.521 1.00 0.00 C ATOM 639 OE1 GLU A 41 10.509 5.313 -1.265 1.00 0.00 O ATOM 640 OE2 GLU A 41 8.973 5.989 -2.683 1.00 0.00 O ATOM 0 H GLU A 41 8.144 4.935 1.951 1.00 0.00 H new ATOM 0 HA GLU A 41 8.777 7.509 2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.358 7.844 0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.021 6.373 1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.074 5.108 0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.562 6.589 -0.737 1.00 0.00 H new ATOM 647 N MET A 42 6.060 7.355 0.879 1.00 0.00 N ATOM 648 CA MET A 42 4.866 8.079 0.468 1.00 0.00 C ATOM 649 C MET A 42 3.901 8.235 1.630 1.00 0.00 C ATOM 650 O MET A 42 3.238 9.260 1.779 1.00 0.00 O ATOM 651 CB MET A 42 4.167 7.329 -0.660 1.00 0.00 C ATOM 652 CG MET A 42 3.360 6.135 -0.178 1.00 0.00 C ATOM 653 SD MET A 42 2.205 5.541 -1.422 1.00 0.00 S ATOM 654 CE MET A 42 2.926 3.947 -1.760 1.00 0.00 C ATOM 0 H MET A 42 6.096 6.389 0.554 1.00 0.00 H new ATOM 0 HA MET A 42 5.171 9.068 0.125 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.506 8.016 -1.189 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.913 6.989 -1.378 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.039 5.328 0.098 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.810 6.411 0.722 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.458 3.516 -2.645 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.996 4.061 -1.935 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.766 3.287 -0.907 1.00 0.00 H new ATOM 664 N TRP A 43 3.823 7.190 2.442 1.00 0.00 N ATOM 665 CA TRP A 43 2.946 7.165 3.584 1.00 0.00 C ATOM 666 C TRP A 43 3.247 8.323 4.534 1.00 0.00 C ATOM 667 O TRP A 43 2.345 9.066 4.922 1.00 0.00 O ATOM 668 CB TRP A 43 3.095 5.803 4.249 1.00 0.00 C ATOM 669 CG TRP A 43 2.819 5.764 5.700 1.00 0.00 C ATOM 670 CD1 TRP A 43 3.736 5.785 6.684 1.00 0.00 C ATOM 671 CD2 TRP A 43 1.546 5.659 6.318 1.00 0.00 C ATOM 672 NE1 TRP A 43 3.112 5.696 7.910 1.00 0.00 N ATOM 673 CE2 TRP A 43 1.754 5.617 7.703 1.00 0.00 C ATOM 674 CE3 TRP A 43 0.250 5.600 5.824 1.00 0.00 C ATOM 675 CZ2 TRP A 43 0.697 5.509 8.604 1.00 0.00 C ATOM 676 CZ3 TRP A 43 -0.800 5.495 6.714 1.00 0.00 C ATOM 677 CH2 TRP A 43 -0.571 5.448 8.092 1.00 0.00 C ATOM 0 H TRP A 43 4.371 6.338 2.320 1.00 0.00 H new ATOM 0 HA TRP A 43 1.908 7.302 3.279 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.425 5.101 3.752 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.111 5.447 4.082 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.803 5.860 6.535 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.578 5.690 8.817 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.066 5.636 4.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.872 5.475 9.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.812 5.449 6.340 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.411 5.362 8.766 1.00 0.00 H new ATOM 688 N LYS A 44 4.513 8.479 4.901 1.00 0.00 N ATOM 689 CA LYS A 44 4.917 9.556 5.798 1.00 0.00 C ATOM 690 C LYS A 44 4.526 10.924 5.236 1.00 0.00 C ATOM 691 O LYS A 44 4.404 11.897 5.981 1.00 0.00 O ATOM 692 CB LYS A 44 6.427 9.501 6.039 1.00 0.00 C ATOM 693 CG LYS A 44 6.804 9.020 7.431 1.00 0.00 C ATOM 694 CD LYS A 44 7.971 8.045 7.389 1.00 0.00 C ATOM 695 CE LYS A 44 7.516 6.618 7.654 1.00 0.00 C ATOM 696 NZ LYS A 44 8.293 5.630 6.856 1.00 0.00 N ATOM 0 H LYS A 44 5.276 7.876 4.593 1.00 0.00 H new ATOM 0 HA LYS A 44 4.395 9.418 6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.881 8.840 5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.848 10.494 5.880 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.066 9.875 8.054 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.944 8.539 7.896 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.456 8.098 6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.715 8.334 8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.625 6.393 8.715 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.457 6.525 7.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.952 4.670 7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.169 5.828 5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.301 5.701 7.102 1.00 0.00 H new ATOM 710 N GLU A 45 4.336 10.997 3.918 1.00 0.00 N ATOM 711 CA GLU A 45 3.968 12.254 3.267 1.00 0.00 C ATOM 712 C GLU A 45 2.601 12.149 2.588 1.00 0.00 C ATOM 713 O GLU A 45 2.417 12.614 1.464 1.00 0.00 O ATOM 714 CB GLU A 45 5.030 12.646 2.239 1.00 0.00 C ATOM 715 CG GLU A 45 5.166 11.654 1.096 1.00 0.00 C ATOM 716 CD GLU A 45 6.529 11.709 0.433 1.00 0.00 C ATOM 717 OE1 GLU A 45 7.544 11.644 1.159 1.00 0.00 O ATOM 718 OE2 GLU A 45 6.582 11.819 -0.809 1.00 0.00 O ATOM 0 H GLU A 45 4.430 10.204 3.283 1.00 0.00 H new ATOM 0 HA GLU A 45 3.908 13.024 4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.784 13.626 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.992 12.742 2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.990 10.646 1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.396 11.856 0.352 1.00 0.00 H new ATOM 725 N LEU A 46 1.650 11.531 3.280 1.00 0.00 N ATOM 726 CA LEU A 46 0.307 11.368 2.733 1.00 0.00 C ATOM 727 C LEU A 46 -0.766 11.768 3.758 1.00 0.00 C ATOM 728 O LEU A 46 -0.630 11.499 4.951 1.00 0.00 O ATOM 729 CB LEU A 46 0.143 9.925 2.213 1.00 0.00 C ATOM 730 CG LEU A 46 -0.973 9.085 2.828 1.00 0.00 C ATOM 731 CD1 LEU A 46 -1.350 7.944 1.903 1.00 0.00 C ATOM 732 CD2 LEU A 46 -0.556 8.543 4.180 1.00 0.00 C ATOM 0 H LEU A 46 1.781 11.138 4.212 1.00 0.00 H new ATOM 0 HA LEU A 46 0.168 12.043 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.022 9.971 1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.086 9.401 2.369 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.843 9.727 2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.147 7.355 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.694 8.346 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.480 7.309 1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.367 7.948 4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.330 7.919 4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.331 9.372 4.851 1.00 0.00 H new ATOM 744 N LYS A 47 -1.827 12.433 3.278 1.00 0.00 N ATOM 745 CA LYS A 47 -2.922 12.890 4.146 1.00 0.00 C ATOM 746 C LYS A 47 -4.026 11.852 4.248 1.00 0.00 C ATOM 747 O LYS A 47 -5.124 12.133 4.726 1.00 0.00 O ATOM 748 CB LYS A 47 -3.493 14.215 3.635 1.00 0.00 C ATOM 749 CG LYS A 47 -2.428 15.217 3.221 1.00 0.00 C ATOM 750 CD LYS A 47 -2.228 15.227 1.714 1.00 0.00 C ATOM 751 CE LYS A 47 -0.791 15.557 1.344 1.00 0.00 C ATOM 752 NZ LYS A 47 0.012 14.330 1.084 1.00 0.00 N ATOM 0 H LYS A 47 -1.950 12.666 2.293 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.509 13.040 5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.144 14.016 2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.114 14.658 4.414 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.714 16.213 3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.486 14.973 3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.496 14.253 1.304 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.898 15.958 1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.781 16.192 0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.331 16.128 2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.710 14.524 0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.505 14.047 1.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.618 13.561 0.778 1.00 0.00 H new ATOM 766 N ASP A 48 -3.697 10.640 3.854 1.00 0.00 N ATOM 767 CA ASP A 48 -4.609 9.525 3.947 1.00 0.00 C ATOM 768 C ASP A 48 -4.222 8.706 5.175 1.00 0.00 C ATOM 769 O ASP A 48 -4.976 7.855 5.639 1.00 0.00 O ATOM 770 CB ASP A 48 -4.546 8.670 2.680 1.00 0.00 C ATOM 771 CG ASP A 48 -5.920 8.239 2.207 1.00 0.00 C ATOM 772 OD1 ASP A 48 -6.628 7.561 2.980 1.00 0.00 O ATOM 773 OD2 ASP A 48 -6.288 8.578 1.063 1.00 0.00 O ATOM 0 H ASP A 48 -2.787 10.402 3.460 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.634 9.883 4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.052 9.234 1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.936 7.787 2.871 1.00 0.00 H new ATOM 778 N LYS A 49 -3.031 9.006 5.706 1.00 0.00 N ATOM 779 CA LYS A 49 -2.514 8.346 6.890 1.00 0.00 C ATOM 780 C LYS A 49 -3.210 8.888 8.124 1.00 0.00 C ATOM 781 O LYS A 49 -3.334 8.198 9.126 1.00 0.00 O ATOM 782 CB LYS A 49 -1.001 8.561 6.999 1.00 0.00 C ATOM 783 CG LYS A 49 -0.427 8.305 8.376 1.00 0.00 C ATOM 784 CD LYS A 49 0.021 9.595 9.041 1.00 0.00 C ATOM 785 CE LYS A 49 1.161 10.239 8.270 1.00 0.00 C ATOM 786 NZ LYS A 49 1.798 11.344 9.038 1.00 0.00 N ATOM 0 H LYS A 49 -2.406 9.714 5.321 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.708 7.276 6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.502 7.907 6.284 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.771 9.586 6.708 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.176 7.815 8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.419 7.622 8.298 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.819 10.288 9.101 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.339 9.390 10.063 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.910 9.484 8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.785 10.625 7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.570 11.756 8.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.090 12.077 9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.179 10.971 9.931 1.00 0.00 H new ATOM 800 N SER A 50 -3.724 10.105 8.033 1.00 0.00 N ATOM 801 CA SER A 50 -4.458 10.672 9.144 1.00 0.00 C ATOM 802 C SER A 50 -5.777 9.929 9.254 1.00 0.00 C ATOM 803 O SER A 50 -6.354 9.797 10.334 1.00 0.00 O ATOM 804 CB SER A 50 -4.699 12.168 8.934 1.00 0.00 C ATOM 805 OG SER A 50 -3.696 12.941 9.570 1.00 0.00 O ATOM 0 H SER A 50 -3.647 10.708 7.214 1.00 0.00 H new ATOM 0 HA SER A 50 -3.884 10.565 10.064 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.712 12.391 7.867 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.678 12.441 9.329 1.00 0.00 H new ATOM 0 HG SER A 50 -3.872 13.893 9.419 1.00 0.00 H new ATOM 811 N LYS A 51 -6.238 9.446 8.104 1.00 0.00 N ATOM 812 CA LYS A 51 -7.493 8.703 8.029 1.00 0.00 C ATOM 813 C LYS A 51 -7.255 7.193 8.112 1.00 0.00 C ATOM 814 O LYS A 51 -8.144 6.442 8.517 1.00 0.00 O ATOM 815 CB LYS A 51 -8.256 9.060 6.745 1.00 0.00 C ATOM 816 CG LYS A 51 -7.752 8.352 5.492 1.00 0.00 C ATOM 817 CD LYS A 51 -8.899 7.761 4.686 1.00 0.00 C ATOM 818 CE LYS A 51 -9.053 6.270 4.942 1.00 0.00 C ATOM 819 NZ LYS A 51 -10.384 5.940 5.522 1.00 0.00 N ATOM 0 H LYS A 51 -5.761 9.556 7.209 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.101 8.991 8.887 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.310 8.818 6.885 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.194 10.137 6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.196 9.057 4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.058 7.560 5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.827 8.273 4.943 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.724 7.932 3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.919 5.726 4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.268 5.935 5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.449 4.914 5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.502 6.439 6.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.133 6.236 4.863 1.00 0.00 H new ATOM 833 N TRP A 52 -6.060 6.751 7.726 1.00 0.00 N ATOM 834 CA TRP A 52 -5.726 5.327 7.759 1.00 0.00 C ATOM 835 C TRP A 52 -4.985 4.959 9.042 1.00 0.00 C ATOM 836 O TRP A 52 -5.263 3.927 9.657 1.00 0.00 O ATOM 837 CB TRP A 52 -4.875 4.941 6.543 1.00 0.00 C ATOM 838 CG TRP A 52 -5.637 4.188 5.489 1.00 0.00 C ATOM 839 CD1 TRP A 52 -6.467 3.115 5.674 1.00 0.00 C ATOM 840 CD2 TRP A 52 -5.633 4.448 4.082 1.00 0.00 C ATOM 841 NE1 TRP A 52 -6.978 2.701 4.469 1.00 0.00 N ATOM 842 CE2 TRP A 52 -6.483 3.503 3.477 1.00 0.00 C ATOM 843 CE3 TRP A 52 -4.996 5.392 3.275 1.00 0.00 C ATOM 844 CZ2 TRP A 52 -6.709 3.476 2.104 1.00 0.00 C ATOM 845 CZ3 TRP A 52 -5.221 5.364 1.912 1.00 0.00 C ATOM 846 CH2 TRP A 52 -6.071 4.413 1.338 1.00 0.00 C ATOM 0 H TRP A 52 -5.310 7.354 7.388 1.00 0.00 H new ATOM 0 HA TRP A 52 -6.664 4.772 7.730 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.457 5.845 6.101 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.035 4.332 6.877 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -6.688 2.661 6.629 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -7.622 1.922 4.335 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.339 6.131 3.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -7.364 2.742 1.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -4.732 6.089 1.279 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -6.227 4.418 0.269 1.00 0.00 H new ATOM 857 N GLU A 53 -4.065 5.817 9.469 1.00 0.00 N ATOM 858 CA GLU A 53 -3.320 5.562 10.696 1.00 0.00 C ATOM 859 C GLU A 53 -4.285 5.404 11.852 1.00 0.00 C ATOM 860 O GLU A 53 -4.024 4.668 12.804 1.00 0.00 O ATOM 861 CB GLU A 53 -2.324 6.690 10.990 1.00 0.00 C ATOM 862 CG GLU A 53 -2.911 7.858 11.772 1.00 0.00 C ATOM 863 CD GLU A 53 -1.954 9.029 11.877 1.00 0.00 C ATOM 864 OE1 GLU A 53 -1.947 9.874 10.958 1.00 0.00 O ATOM 865 OE2 GLU A 53 -1.210 9.100 12.879 1.00 0.00 O ATOM 0 H GLU A 53 -3.819 6.684 8.991 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.751 4.642 10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.483 6.280 11.549 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.927 7.063 10.046 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.831 8.188 11.289 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.179 7.522 12.774 1.00 0.00 H new ATOM 872 N ASP A 54 -5.407 6.103 11.758 1.00 0.00 N ATOM 873 CA ASP A 54 -6.411 6.036 12.791 1.00 0.00 C ATOM 874 C ASP A 54 -7.066 4.675 12.802 1.00 0.00 C ATOM 875 O ASP A 54 -7.498 4.205 13.845 1.00 0.00 O ATOM 876 CB ASP A 54 -7.456 7.140 12.616 1.00 0.00 C ATOM 877 CG ASP A 54 -8.089 7.551 13.931 1.00 0.00 C ATOM 878 OD1 ASP A 54 -8.565 6.659 14.665 1.00 0.00 O ATOM 879 OD2 ASP A 54 -8.108 8.764 14.228 1.00 0.00 O ATOM 0 H ASP A 54 -5.637 6.718 10.978 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.920 6.191 13.752 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.988 8.009 12.154 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.233 6.796 11.934 1.00 0.00 H new ATOM 884 N ALA A 55 -7.104 4.021 11.649 1.00 0.00 N ATOM 885 CA ALA A 55 -7.674 2.689 11.583 1.00 0.00 C ATOM 886 C ALA A 55 -6.840 1.763 12.456 1.00 0.00 C ATOM 887 O ALA A 55 -7.364 0.899 13.150 1.00 0.00 O ATOM 888 CB ALA A 55 -7.725 2.191 10.146 1.00 0.00 C ATOM 0 H ALA A 55 -6.753 4.385 10.763 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.700 2.709 11.950 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.156 1.190 10.123 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.339 2.865 9.549 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.716 2.161 9.735 1.00 0.00 H new ATOM 894 N ALA A 56 -5.523 1.955 12.398 1.00 0.00 N ATOM 895 CA ALA A 56 -4.583 1.143 13.171 1.00 0.00 C ATOM 896 C ALA A 56 -4.825 1.267 14.671 1.00 0.00 C ATOM 897 O ALA A 56 -4.868 0.268 15.387 1.00 0.00 O ATOM 898 CB ALA A 56 -3.161 1.560 12.855 1.00 0.00 C ATOM 0 H ALA A 56 -5.080 2.670 11.820 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.740 0.102 12.889 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.466 0.952 13.434 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.968 1.419 11.792 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.024 2.610 13.112 1.00 0.00 H new ATOM 904 N ALA A 57 -4.980 2.503 15.141 1.00 0.00 N ATOM 905 CA ALA A 57 -5.217 2.758 16.557 1.00 0.00 C ATOM 906 C ALA A 57 -6.652 2.418 16.934 1.00 0.00 C ATOM 907 O ALA A 57 -6.944 2.086 18.084 1.00 0.00 O ATOM 908 CB ALA A 57 -4.910 4.210 16.891 1.00 0.00 C ATOM 0 H ALA A 57 -4.946 3.342 14.561 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.552 2.118 17.137 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.091 4.386 17.951 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.866 4.423 16.661 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.552 4.863 16.300 1.00 0.00 H new ATOM 914 N LYS A 58 -7.541 2.492 15.952 1.00 0.00 N ATOM 915 CA LYS A 58 -8.943 2.181 16.176 1.00 0.00 C ATOM 916 C LYS A 58 -9.139 0.679 16.108 1.00 0.00 C ATOM 917 O LYS A 58 -9.935 0.106 16.850 1.00 0.00 O ATOM 918 CB LYS A 58 -9.841 2.897 15.156 1.00 0.00 C ATOM 919 CG LYS A 58 -10.259 2.034 13.973 1.00 0.00 C ATOM 920 CD LYS A 58 -11.113 2.815 12.990 1.00 0.00 C ATOM 921 CE LYS A 58 -12.569 2.855 13.425 1.00 0.00 C ATOM 922 NZ LYS A 58 -12.917 4.146 14.080 1.00 0.00 N ATOM 0 H LYS A 58 -7.315 2.764 14.995 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.230 2.537 17.165 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.737 3.253 15.665 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.316 3.776 14.782 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.372 1.656 13.465 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.815 1.168 14.331 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.730 3.832 12.902 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.040 2.361 12.002 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.211 2.703 12.558 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.765 2.034 14.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.670 3.988 14.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.077 4.531 14.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.248 4.821 13.362 1.00 0.00 H new ATOM 936 N ASP A 59 -8.399 0.048 15.204 1.00 0.00 N ATOM 937 CA ASP A 59 -8.477 -1.384 15.027 1.00 0.00 C ATOM 938 C ASP A 59 -7.734 -2.090 16.146 1.00 0.00 C ATOM 939 O ASP A 59 -8.138 -3.155 16.584 1.00 0.00 O ATOM 940 CB ASP A 59 -7.890 -1.776 13.670 1.00 0.00 C ATOM 941 CG ASP A 59 -8.787 -1.377 12.515 1.00 0.00 C ATOM 942 OD1 ASP A 59 -9.634 -0.479 12.703 1.00 0.00 O ATOM 943 OD2 ASP A 59 -8.641 -1.963 11.422 1.00 0.00 O ATOM 0 H ASP A 59 -7.738 0.514 14.583 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.523 -1.688 15.058 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.915 -1.304 13.549 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.728 -2.854 13.645 1.00 0.00 H new ATOM 948 N LYS A 60 -6.650 -1.485 16.618 1.00 0.00 N ATOM 949 CA LYS A 60 -5.872 -2.070 17.705 1.00 0.00 C ATOM 950 C LYS A 60 -6.746 -2.193 18.942 1.00 0.00 C ATOM 951 O LYS A 60 -6.658 -3.160 19.700 1.00 0.00 O ATOM 952 CB LYS A 60 -4.633 -1.209 18.001 1.00 0.00 C ATOM 953 CG LYS A 60 -4.355 -0.992 19.486 1.00 0.00 C ATOM 954 CD LYS A 60 -5.170 0.165 20.042 1.00 0.00 C ATOM 955 CE LYS A 60 -4.341 1.035 20.972 1.00 0.00 C ATOM 956 NZ LYS A 60 -3.285 1.784 20.239 1.00 0.00 N ATOM 0 H LYS A 60 -6.291 -0.596 16.269 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.531 -3.062 17.410 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.762 -1.680 17.546 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.758 -0.238 17.522 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.590 -1.902 20.038 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.293 -0.795 19.633 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.552 0.770 19.220 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.035 -0.223 20.580 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.994 1.739 21.488 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.879 0.411 21.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.962 2.585 20.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.483 1.152 20.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.671 2.140 19.341 1.00 0.00 H new ATOM 970 N GLN A 61 -7.577 -1.186 19.131 1.00 0.00 N ATOM 971 CA GLN A 61 -8.473 -1.125 20.260 1.00 0.00 C ATOM 972 C GLN A 61 -9.725 -1.955 20.003 1.00 0.00 C ATOM 973 O GLN A 61 -10.195 -2.682 20.874 1.00 0.00 O ATOM 974 CB GLN A 61 -8.837 0.336 20.552 1.00 0.00 C ATOM 975 CG GLN A 61 -10.329 0.598 20.704 1.00 0.00 C ATOM 976 CD GLN A 61 -10.745 0.780 22.150 1.00 0.00 C ATOM 977 OE1 GLN A 61 -10.752 1.895 22.672 1.00 0.00 O ATOM 978 NE2 GLN A 61 -11.095 -0.322 22.805 1.00 0.00 N ATOM 0 H GLN A 61 -7.647 -0.387 18.501 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.971 -1.544 21.132 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.332 0.647 21.466 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.452 0.961 19.746 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -10.597 1.490 20.138 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.886 -0.233 20.272 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -11.074 -1.225 22.331 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.385 -0.265 23.781 1.00 0.00 H new ATOM 987 N ARG A 62 -10.285 -1.824 18.816 1.00 0.00 N ATOM 988 CA ARG A 62 -11.494 -2.550 18.486 1.00 0.00 C ATOM 989 C ARG A 62 -11.234 -4.044 18.341 1.00 0.00 C ATOM 990 O ARG A 62 -12.157 -4.853 18.436 1.00 0.00 O ATOM 991 CB ARG A 62 -12.107 -2.032 17.193 1.00 0.00 C ATOM 992 CG ARG A 62 -12.834 -3.122 16.431 1.00 0.00 C ATOM 993 CD ARG A 62 -13.428 -2.606 15.135 1.00 0.00 C ATOM 994 NE ARG A 62 -12.446 -2.608 14.055 1.00 0.00 N ATOM 995 CZ ARG A 62 -12.766 -2.615 12.762 1.00 0.00 C ATOM 996 NH1 ARG A 62 -14.038 -2.598 12.385 1.00 0.00 N ATOM 997 NH2 ARG A 62 -11.811 -2.637 11.843 1.00 0.00 N ATOM 0 H ARG A 62 -9.926 -1.227 18.071 1.00 0.00 H new ATOM 0 HA ARG A 62 -12.188 -2.390 19.311 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.802 -1.223 17.420 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.323 -1.611 16.564 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -12.143 -3.937 16.215 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.627 -3.534 17.055 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.280 -3.224 14.853 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.804 -1.594 15.284 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.457 -2.604 14.305 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.778 -2.579 13.087 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.276 -2.603 11.393 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.831 -2.649 12.126 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.056 -2.642 10.853 1.00 0.00 H new ATOM 1011 N TYR A 63 -9.992 -4.404 18.087 1.00 0.00 N ATOM 1012 CA TYR A 63 -9.642 -5.804 17.903 1.00 0.00 C ATOM 1013 C TYR A 63 -9.271 -6.407 19.223 1.00 0.00 C ATOM 1014 O TYR A 63 -9.774 -7.457 19.602 1.00 0.00 O ATOM 1015 CB TYR A 63 -8.496 -5.973 16.902 1.00 0.00 C ATOM 1016 CG TYR A 63 -8.942 -6.535 15.572 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -9.905 -5.885 14.811 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -8.407 -7.718 15.082 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -10.320 -6.399 13.596 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -8.816 -8.239 13.870 1.00 0.00 C ATOM 1021 CZ TYR A 63 -9.773 -7.575 13.131 1.00 0.00 C ATOM 1022 OH TYR A 63 -10.184 -8.092 11.923 1.00 0.00 O ATOM 0 H TYR A 63 -9.211 -3.754 18.003 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.511 -6.321 17.496 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.020 -5.006 16.739 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.741 -6.631 17.332 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.336 -4.964 15.174 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.658 -8.240 15.658 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.069 -5.881 13.015 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.389 -9.161 13.503 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.699 -8.924 11.742 1.00 0.00 H new ATOM 1032 N HIS A 64 -8.411 -5.735 19.947 1.00 0.00 N ATOM 1033 CA HIS A 64 -8.031 -6.238 21.227 1.00 0.00 C ATOM 1034 C HIS A 64 -9.268 -6.227 22.137 1.00 0.00 C ATOM 1035 O HIS A 64 -9.352 -6.955 23.114 1.00 0.00 O ATOM 1036 CB HIS A 64 -6.872 -5.401 21.781 1.00 0.00 C ATOM 1037 CG HIS A 64 -7.306 -4.190 22.514 1.00 0.00 C ATOM 1038 ND1 HIS A 64 -8.357 -3.434 22.100 1.00 0.00 N ATOM 1039 CD2 HIS A 64 -6.817 -3.592 23.617 1.00 0.00 C ATOM 1040 CE1 HIS A 64 -8.510 -2.412 22.906 1.00 0.00 C ATOM 1041 NE2 HIS A 64 -7.587 -2.479 23.847 1.00 0.00 N ATOM 0 H HIS A 64 -7.972 -4.856 19.672 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.673 -7.265 21.163 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.273 -6.022 22.447 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.225 -5.103 20.956 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -8.938 -3.632 21.286 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.977 -3.925 24.209 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -9.264 -1.644 22.815 1.00 0.00 H new ATOM 1050 N ASP A 65 -10.248 -5.406 21.780 1.00 0.00 N ATOM 1051 CA ASP A 65 -11.467 -5.307 22.558 1.00 0.00 C ATOM 1052 C ASP A 65 -12.446 -6.421 22.218 1.00 0.00 C ATOM 1053 O ASP A 65 -13.419 -6.633 22.942 1.00 0.00 O ATOM 1054 CB ASP A 65 -12.124 -3.947 22.332 1.00 0.00 C ATOM 1055 CG ASP A 65 -13.395 -3.772 23.141 1.00 0.00 C ATOM 1056 OD1 ASP A 65 -13.292 -3.530 24.362 1.00 0.00 O ATOM 1057 OD2 ASP A 65 -14.492 -3.875 22.554 1.00 0.00 O ATOM 0 H ASP A 65 -10.219 -4.802 20.958 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.198 -5.411 23.609 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.419 -3.159 22.595 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.353 -3.830 21.273 1.00 0.00 H new ATOM 1062 N GLU A 66 -12.195 -7.145 21.127 1.00 0.00 N ATOM 1063 CA GLU A 66 -13.076 -8.230 20.745 1.00 0.00 C ATOM 1064 C GLU A 66 -12.263 -9.499 20.653 1.00 0.00 C ATOM 1065 O GLU A 66 -12.679 -10.569 21.094 1.00 0.00 O ATOM 1066 CB GLU A 66 -13.756 -7.935 19.406 1.00 0.00 C ATOM 1067 CG GLU A 66 -14.202 -6.490 19.251 1.00 0.00 C ATOM 1068 CD GLU A 66 -15.698 -6.318 19.429 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -16.456 -6.777 18.549 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -16.111 -5.727 20.448 1.00 0.00 O ATOM 0 H GLU A 66 -11.400 -6.998 20.506 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.859 -8.343 21.495 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.068 -8.182 18.597 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.623 -8.587 19.298 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.680 -5.872 19.982 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.914 -6.129 18.264 1.00 0.00 H new ATOM 1077 N MET A 67 -11.097 -9.348 20.060 1.00 0.00 N ATOM 1078 CA MET A 67 -10.166 -10.432 19.859 1.00 0.00 C ATOM 1079 C MET A 67 -9.398 -10.751 21.144 1.00 0.00 C ATOM 1080 O MET A 67 -9.283 -11.913 21.524 1.00 0.00 O ATOM 1081 CB MET A 67 -9.214 -10.033 18.727 1.00 0.00 C ATOM 1082 CG MET A 67 -9.900 -9.270 17.586 1.00 0.00 C ATOM 1083 SD MET A 67 -11.583 -9.833 17.224 1.00 0.00 S ATOM 1084 CE MET A 67 -11.319 -10.830 15.761 1.00 0.00 C ATOM 0 H MET A 67 -10.767 -8.453 19.699 1.00 0.00 H new ATOM 0 HA MET A 67 -10.706 -11.339 19.588 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.415 -9.415 19.137 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.747 -10.931 18.323 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.930 -8.210 17.839 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.295 -9.366 16.684 1.00 0.00 H new ATOM 0 HE1 MET A 67 -11.826 -10.371 14.912 1.00 0.00 H new ATOM 0 HE2 MET A 67 -10.251 -10.896 15.554 1.00 0.00 H new ATOM 0 HE3 MET A 67 -11.719 -11.830 15.925 1.00 0.00 H new ATOM 1094 N ARG A 68 -8.877 -9.723 21.817 1.00 0.00 N ATOM 1095 CA ARG A 68 -8.137 -9.943 23.064 1.00 0.00 C ATOM 1096 C ARG A 68 -9.104 -10.370 24.164 1.00 0.00 C ATOM 1097 O ARG A 68 -8.892 -11.363 24.858 1.00 0.00 O ATOM 1098 CB ARG A 68 -7.363 -8.666 23.467 1.00 0.00 C ATOM 1099 CG ARG A 68 -7.672 -8.102 24.862 1.00 0.00 C ATOM 1100 CD ARG A 68 -7.870 -6.593 24.848 1.00 0.00 C ATOM 1101 NE ARG A 68 -7.129 -5.914 25.903 1.00 0.00 N ATOM 1102 CZ ARG A 68 -7.237 -6.197 27.201 1.00 0.00 C ATOM 1103 NH1 ARG A 68 -8.092 -7.122 27.622 1.00 0.00 N ATOM 1104 NH2 ARG A 68 -6.502 -5.536 28.085 1.00 0.00 N ATOM 0 H ARG A 68 -8.950 -8.748 21.528 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.407 -10.739 22.914 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.296 -8.880 23.412 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.571 -7.891 22.729 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.570 -8.580 25.253 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.857 -8.352 25.541 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.558 -6.200 23.881 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.932 -6.370 24.955 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.484 -5.172 25.630 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.673 -7.623 26.950 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.167 -7.332 28.617 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.855 -4.812 27.771 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.583 -5.751 29.079 1.00 0.00 H new ATOM 1118 N ASN A 69 -10.156 -9.569 24.309 1.00 0.00 N ATOM 1119 CA ASN A 69 -11.162 -9.807 25.315 1.00 0.00 C ATOM 1120 C ASN A 69 -11.500 -11.275 25.253 1.00 0.00 C ATOM 1121 O ASN A 69 -11.335 -12.001 26.234 1.00 0.00 O ATOM 1122 CB ASN A 69 -12.385 -8.890 25.119 1.00 0.00 C ATOM 1123 CG ASN A 69 -13.652 -9.622 24.723 1.00 0.00 C ATOM 1124 OD1 ASN A 69 -14.458 -10.005 25.569 1.00 0.00 O ATOM 1125 ND2 ASN A 69 -13.823 -9.814 23.427 1.00 0.00 N ATOM 0 H ASN A 69 -10.326 -8.745 23.732 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.793 -9.561 26.311 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.568 -8.344 26.045 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -12.152 -8.150 24.353 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -14.654 -10.300 23.089 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -13.124 -9.477 22.765 1.00 0.00 H new ATOM 1132 N TYR A 70 -11.994 -11.708 24.098 1.00 0.00 N ATOM 1133 CA TYR A 70 -12.375 -13.082 23.908 1.00 0.00 C ATOM 1134 C TYR A 70 -11.416 -14.051 24.608 1.00 0.00 C ATOM 1135 O TYR A 70 -11.831 -15.094 25.114 1.00 0.00 O ATOM 1136 CB TYR A 70 -12.490 -13.392 22.404 1.00 0.00 C ATOM 1137 CG TYR A 70 -11.722 -14.612 21.934 1.00 0.00 C ATOM 1138 CD1 TYR A 70 -10.333 -14.634 21.960 1.00 0.00 C ATOM 1139 CD2 TYR A 70 -12.388 -15.736 21.464 1.00 0.00 C ATOM 1140 CE1 TYR A 70 -9.629 -15.744 21.530 1.00 0.00 C ATOM 1141 CE2 TYR A 70 -11.691 -16.849 21.033 1.00 0.00 C ATOM 1142 CZ TYR A 70 -10.313 -16.848 21.067 1.00 0.00 C ATOM 1143 OH TYR A 70 -9.616 -17.954 20.638 1.00 0.00 O ATOM 0 H TYR A 70 -12.136 -11.114 23.281 1.00 0.00 H new ATOM 0 HA TYR A 70 -13.351 -13.227 24.372 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -13.543 -13.528 22.157 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.141 -12.525 21.843 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.795 -13.771 22.322 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.468 -15.741 21.435 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -8.549 -15.746 21.557 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.224 -17.716 20.671 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.247 -18.644 20.345 1.00 0.00 H new ATOM 1153 N LYS A 71 -10.135 -13.697 24.632 1.00 0.00 N ATOM 1154 CA LYS A 71 -9.120 -14.531 25.268 1.00 0.00 C ATOM 1155 C LYS A 71 -7.734 -13.904 25.127 1.00 0.00 C ATOM 1156 O LYS A 71 -7.442 -13.245 24.129 1.00 0.00 O ATOM 1157 CB LYS A 71 -9.124 -15.936 24.658 1.00 0.00 C ATOM 1158 CG LYS A 71 -9.201 -17.048 25.691 1.00 0.00 C ATOM 1159 CD LYS A 71 -7.937 -17.894 25.698 1.00 0.00 C ATOM 1160 CE LYS A 71 -8.006 -19.009 24.667 1.00 0.00 C ATOM 1161 NZ LYS A 71 -8.116 -18.476 23.281 1.00 0.00 N ATOM 0 H LYS A 71 -9.774 -12.837 24.218 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.360 -14.605 26.329 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.971 -16.025 23.977 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.221 -16.067 24.062 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.356 -16.617 26.680 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.063 -17.682 25.481 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.073 -17.261 25.493 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.790 -18.323 26.689 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.116 -19.633 24.747 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.863 -19.648 24.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.007 -19.255 22.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.047 -18.031 23.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.370 -17.769 23.121 1.00 0.00 H new ATOM 1175 N PRO A 72 -6.859 -14.101 26.128 1.00 0.00 N ATOM 1176 CA PRO A 72 -5.500 -13.551 26.109 1.00 0.00 C ATOM 1177 C PRO A 72 -4.622 -14.212 25.051 1.00 0.00 C ATOM 1178 O PRO A 72 -3.718 -13.585 24.500 1.00 0.00 O ATOM 1179 CB PRO A 72 -4.969 -13.855 27.512 1.00 0.00 C ATOM 1180 CG PRO A 72 -5.761 -15.030 27.970 1.00 0.00 C ATOM 1181 CD PRO A 72 -7.124 -14.876 27.356 1.00 0.00 C ATOM 0 HA PRO A 72 -5.495 -12.490 25.860 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.903 -14.080 27.492 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.102 -13.003 28.179 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.294 -15.963 27.654 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.824 -15.058 29.058 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.576 -15.842 27.132 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.808 -14.351 28.023 1.00 0.00 H new ATOM 1189 N GLU A 73 -4.894 -15.484 24.775 1.00 0.00 N ATOM 1190 CA GLU A 73 -4.130 -16.231 23.784 1.00 0.00 C ATOM 1191 C GLU A 73 -4.794 -17.569 23.478 1.00 0.00 C ATOM 1192 O GLU A 73 -5.346 -18.216 24.367 1.00 0.00 O ATOM 1193 CB GLU A 73 -2.700 -16.459 24.277 1.00 0.00 C ATOM 1194 CG GLU A 73 -2.620 -17.304 25.539 1.00 0.00 C ATOM 1195 CD GLU A 73 -2.286 -18.754 25.248 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -1.209 -19.011 24.671 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -3.100 -19.633 25.599 1.00 0.00 O ATOM 0 H GLU A 73 -5.638 -16.018 25.224 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.102 -15.643 22.867 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.125 -16.944 23.488 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.231 -15.493 24.466 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.864 -16.887 26.204 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.572 -17.253 26.067 1.00 0.00 H new ATOM 1204 N ALA A 74 -4.737 -17.978 22.215 1.00 0.00 N ATOM 1205 CA ALA A 74 -5.333 -19.239 21.792 1.00 0.00 C ATOM 1206 C ALA A 74 -4.265 -20.307 21.582 1.00 0.00 C ATOM 1207 O ALA A 74 -4.454 -21.437 22.081 1.00 0.00 O ATOM 1208 CB ALA A 74 -6.140 -19.040 20.518 1.00 0.00 C ATOM 1209 OXT ALA A 74 -3.250 -20.006 20.922 1.00 0.00 O ATOM 0 H ALA A 74 -4.284 -17.454 21.466 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.001 -19.580 22.583 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.579 -19.990 20.214 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.933 -18.315 20.699 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.486 -18.673 19.727 1.00 0.00 H new TER 1215 ALA A 74