USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 832 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 55 HIS : no HD1:sc= 0.567 K(o=-2.1,f=-8) USER MOD Set 1.2: A 106 LYS NZ :NH3+ -156:sc= -2.71! (180deg=-6.34!) USER MOD Set 2.1: A 28 ASN : amide:sc= -2.75 K(o=-1.7,f=-5.1!) USER MOD Set 2.2: A 54 SER OG : rot 107:sc= 1.08 USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.142) USER MOD Single : A 13 THR OG1 : rot 53:sc= -1.78 USER MOD Single : A 20 ASN : amide:sc= -0.258 K(o=-0.26,f=-1) USER MOD Single : A 25 THR OG1 : rot -6:sc= 1.03 USER MOD Single : A 26 THR OG1 : rot -115:sc= 0.892 USER MOD Single : A 27 ASN : amide:sc= -2.88! K(o=-2.9!,f=-1.8) USER MOD Single : A 30 MET CE :methyl -145:sc= -0.414 (180deg=-1.57!) USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= -0.958 (180deg=-1.02) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -100:sc= -0.469 USER MOD Single : A 56 TYR OH : rot -105:sc= 1.5 USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0869) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -45:sc= 0.0247 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -42:sc= -2.6 USER MOD Single : A 80 LYS NZ :NH3+ -164:sc= 0.0837 (180deg=0.0348) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -8.83! C(o=-8.8!,f=-3.1!) USER MOD Single : A 95 MET CE :methyl 166:sc= -1.53 (180deg=-1.95) USER MOD Single : A 98 HIS : no HD1:sc= -0.973 K(o=-0.97,f=-5.6!) USER MOD Single : A 103 HIS : no HD1:sc= -3.07! K(o=-3.1!,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 59 N PRO A 5 -16.158 -8.279 -12.569 1.00 0.00 N ATOM 60 CA PRO A 5 -15.814 -8.432 -11.125 1.00 0.00 C ATOM 61 C PRO A 5 -16.751 -7.615 -10.239 1.00 0.00 C ATOM 62 O PRO A 5 -17.604 -8.161 -9.543 1.00 0.00 O ATOM 63 CB PRO A 5 -14.369 -7.914 -11.029 1.00 0.00 C ATOM 64 CG PRO A 5 -13.800 -8.070 -12.408 1.00 0.00 C ATOM 65 CD PRO A 5 -14.975 -7.947 -13.386 1.00 0.00 C ATOM 0 HA PRO A 5 -15.915 -9.462 -10.782 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.345 -6.872 -10.709 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.794 -8.485 -10.300 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -13.050 -7.304 -12.606 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -13.306 -9.036 -12.516 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -15.046 -6.941 -13.800 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -14.867 -8.631 -14.228 1.00 0.00 H new ATOM 73 N ARG A 6 -16.569 -6.302 -10.301 1.00 0.00 N ATOM 74 CA ARG A 6 -17.355 -5.350 -9.545 1.00 0.00 C ATOM 75 C ARG A 6 -17.277 -4.003 -10.252 1.00 0.00 C ATOM 76 O ARG A 6 -18.270 -3.495 -10.774 1.00 0.00 O ATOM 77 CB ARG A 6 -16.799 -5.248 -8.104 1.00 0.00 C ATOM 78 CG ARG A 6 -17.637 -6.108 -7.142 1.00 0.00 C ATOM 79 CD ARG A 6 -16.789 -6.547 -5.946 1.00 0.00 C ATOM 80 NE ARG A 6 -15.910 -7.642 -6.341 1.00 0.00 N ATOM 81 CZ ARG A 6 -15.348 -8.433 -5.436 1.00 0.00 C ATOM 82 NH1 ARG A 6 -15.586 -8.244 -4.168 1.00 0.00 N ATOM 83 NH2 ARG A 6 -14.565 -9.406 -5.816 1.00 0.00 N ATOM 0 H ARG A 6 -15.858 -5.867 -10.889 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.395 -5.669 -9.485 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.760 -5.577 -8.084 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -16.810 -4.209 -7.776 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -18.501 -5.541 -6.795 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -18.020 -6.984 -7.666 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.198 -5.708 -5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -17.435 -6.864 -5.127 1.00 0.00 H new ATOM 0 HE ARG A 6 -15.724 -7.803 -7.331 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -16.204 -7.488 -3.872 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -15.154 -8.852 -3.472 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -14.385 -9.558 -6.808 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -14.133 -10.014 -5.120 1.00 0.00 H new ATOM 97 N LYS A 7 -16.072 -3.455 -10.292 1.00 0.00 N ATOM 98 CA LYS A 7 -15.831 -2.194 -10.962 1.00 0.00 C ATOM 99 C LYS A 7 -14.337 -1.896 -10.950 1.00 0.00 C ATOM 100 O LYS A 7 -13.782 -1.480 -9.940 1.00 0.00 O ATOM 101 CB LYS A 7 -16.629 -1.063 -10.284 1.00 0.00 C ATOM 102 CG LYS A 7 -16.295 0.307 -10.906 1.00 0.00 C ATOM 103 CD LYS A 7 -17.046 0.499 -12.238 1.00 0.00 C ATOM 104 CE LYS A 7 -16.306 1.518 -13.109 1.00 0.00 C ATOM 105 NZ LYS A 7 -16.267 2.834 -12.410 1.00 0.00 N ATOM 0 H LYS A 7 -15.244 -3.870 -9.865 1.00 0.00 H new ATOM 0 HA LYS A 7 -16.168 -2.261 -11.996 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -17.697 -1.259 -10.382 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.405 -1.045 -9.217 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -16.566 1.103 -10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -15.221 0.383 -11.074 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -17.124 -0.453 -12.763 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -18.063 0.841 -12.046 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.293 1.171 -13.311 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.806 1.620 -14.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.951 3.570 -13.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.217 3.069 -12.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.605 2.782 -11.610 1.00 0.00 H new ATOM 119 N ARG A 8 -13.695 -2.114 -12.086 1.00 0.00 N ATOM 120 CA ARG A 8 -12.270 -1.868 -12.212 1.00 0.00 C ATOM 121 C ARG A 8 -11.981 -0.376 -12.364 1.00 0.00 C ATOM 122 O ARG A 8 -12.507 0.275 -13.266 1.00 0.00 O ATOM 123 CB ARG A 8 -11.707 -2.628 -13.422 1.00 0.00 C ATOM 124 CG ARG A 8 -10.203 -2.364 -13.550 1.00 0.00 C ATOM 125 CD ARG A 8 -9.621 -3.258 -14.647 1.00 0.00 C ATOM 126 NE ARG A 8 -9.664 -4.655 -14.231 1.00 0.00 N ATOM 127 CZ ARG A 8 -9.238 -5.626 -15.033 1.00 0.00 C ATOM 128 NH1 ARG A 8 -8.772 -5.340 -16.218 1.00 0.00 N ATOM 129 NH2 ARG A 8 -9.287 -6.868 -14.636 1.00 0.00 N ATOM 0 H ARG A 8 -14.140 -2.462 -12.935 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.786 -2.223 -11.302 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -11.889 -3.697 -13.308 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.219 -2.313 -14.331 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.026 -1.315 -13.788 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.706 -2.564 -12.601 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.185 -3.128 -15.570 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.593 -2.965 -14.858 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.028 -4.892 -13.308 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.734 -4.370 -16.531 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.446 -6.087 -16.832 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.652 -7.094 -13.711 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.960 -7.613 -15.251 1.00 0.00 H new ATOM 143 N VAL A 9 -11.140 0.166 -11.474 1.00 0.00 N ATOM 144 CA VAL A 9 -10.788 1.598 -11.529 1.00 0.00 C ATOM 145 C VAL A 9 -9.342 1.782 -11.970 1.00 0.00 C ATOM 146 O VAL A 9 -8.433 1.140 -11.447 1.00 0.00 O ATOM 147 CB VAL A 9 -10.939 2.255 -10.148 1.00 0.00 C ATOM 148 CG1 VAL A 9 -11.120 3.779 -10.266 1.00 0.00 C ATOM 149 CG2 VAL A 9 -12.136 1.651 -9.414 1.00 0.00 C ATOM 0 H VAL A 9 -10.695 -0.352 -10.717 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.466 2.065 -12.244 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.026 2.064 -9.584 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.224 4.211 -9.271 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.250 4.211 -10.761 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.014 3.995 -10.850 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.238 2.121 -8.436 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.043 1.822 -9.995 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.982 0.579 -9.288 1.00 0.00 H new ATOM 159 N ALA A 10 -9.139 2.684 -12.907 1.00 0.00 N ATOM 160 CA ALA A 10 -7.802 2.988 -13.395 1.00 0.00 C ATOM 161 C ALA A 10 -7.235 4.171 -12.604 1.00 0.00 C ATOM 162 O ALA A 10 -7.320 5.315 -13.051 1.00 0.00 O ATOM 163 CB ALA A 10 -7.869 3.345 -14.881 1.00 0.00 C ATOM 0 H ALA A 10 -9.883 3.223 -13.350 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.156 2.120 -13.264 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.867 3.573 -15.246 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.276 2.502 -15.440 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.511 4.215 -15.018 1.00 0.00 H new ATOM 169 N LEU A 11 -6.683 3.902 -11.414 1.00 0.00 N ATOM 170 CA LEU A 11 -6.141 4.978 -10.566 1.00 0.00 C ATOM 171 C LEU A 11 -4.619 5.074 -10.714 1.00 0.00 C ATOM 172 O LEU A 11 -3.899 4.122 -10.411 1.00 0.00 O ATOM 173 CB LEU A 11 -6.494 4.678 -9.096 1.00 0.00 C ATOM 174 CG LEU A 11 -6.556 5.983 -8.261 1.00 0.00 C ATOM 175 CD1 LEU A 11 -6.827 5.677 -6.766 1.00 0.00 C ATOM 176 CD2 LEU A 11 -5.229 6.742 -8.384 1.00 0.00 C ATOM 0 H LEU A 11 -6.599 2.965 -11.019 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.577 5.927 -10.876 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.454 4.165 -9.047 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.750 4.005 -8.670 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.373 6.592 -8.648 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.865 6.611 -6.205 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.779 5.155 -6.668 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.027 5.049 -6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.278 7.658 -7.795 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.416 6.116 -8.015 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.048 6.992 -9.430 1.00 0.00 H new ATOM 188 N PHE A 12 -4.133 6.227 -11.175 1.00 0.00 N ATOM 189 CA PHE A 12 -2.699 6.433 -11.350 1.00 0.00 C ATOM 190 C PHE A 12 -2.139 7.201 -10.164 1.00 0.00 C ATOM 191 O PHE A 12 -2.388 8.397 -10.012 1.00 0.00 O ATOM 192 CB PHE A 12 -2.440 7.243 -12.618 1.00 0.00 C ATOM 193 CG PHE A 12 -3.304 6.715 -13.739 1.00 0.00 C ATOM 194 CD1 PHE A 12 -2.864 5.642 -14.524 1.00 0.00 C ATOM 195 CD2 PHE A 12 -4.550 7.300 -13.991 1.00 0.00 C ATOM 196 CE1 PHE A 12 -3.670 5.157 -15.561 1.00 0.00 C ATOM 197 CE2 PHE A 12 -5.356 6.815 -15.027 1.00 0.00 C ATOM 198 CZ PHE A 12 -4.917 5.743 -15.813 1.00 0.00 C ATOM 0 H PHE A 12 -4.710 7.028 -11.432 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.215 5.459 -11.426 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.659 8.296 -12.441 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.388 7.179 -12.895 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.903 5.189 -14.330 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.890 8.127 -13.385 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.330 4.330 -16.167 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.317 7.268 -15.220 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.539 5.368 -16.613 1.00 0.00 H new ATOM 208 N THR A 13 -1.373 6.518 -9.340 1.00 0.00 N ATOM 209 CA THR A 13 -0.770 7.165 -8.184 1.00 0.00 C ATOM 210 C THR A 13 0.215 8.219 -8.684 1.00 0.00 C ATOM 211 O THR A 13 1.408 7.952 -8.829 1.00 0.00 O ATOM 212 CB THR A 13 -0.055 6.114 -7.297 1.00 0.00 C ATOM 213 OG1 THR A 13 -0.012 4.877 -7.990 1.00 0.00 O ATOM 214 CG2 THR A 13 -0.813 5.922 -5.974 1.00 0.00 C ATOM 0 H THR A 13 -1.152 5.527 -9.443 1.00 0.00 H new ATOM 0 HA THR A 13 -1.537 7.644 -7.575 1.00 0.00 H new ATOM 0 HB THR A 13 0.954 6.462 -7.079 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.379 5.013 -8.878 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.297 5.181 -5.363 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.854 6.870 -5.437 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.827 5.579 -6.182 1.00 0.00 H new ATOM 222 N ASP A 14 -0.307 9.409 -8.974 1.00 0.00 N ATOM 223 CA ASP A 14 0.509 10.507 -9.491 1.00 0.00 C ATOM 224 C ASP A 14 0.576 11.659 -8.489 1.00 0.00 C ATOM 225 O ASP A 14 0.315 12.807 -8.845 1.00 0.00 O ATOM 226 CB ASP A 14 -0.099 10.997 -10.812 1.00 0.00 C ATOM 227 CG ASP A 14 -1.391 11.767 -10.548 1.00 0.00 C ATOM 228 OD1 ASP A 14 -2.070 11.434 -9.591 1.00 0.00 O ATOM 229 OD2 ASP A 14 -1.679 12.680 -11.304 1.00 0.00 O ATOM 0 H ASP A 14 -1.294 9.638 -8.859 1.00 0.00 H new ATOM 0 HA ASP A 14 1.525 10.147 -9.656 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.613 11.637 -11.333 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.301 10.147 -11.464 1.00 0.00 H new ATOM 234 N GLY A 15 0.918 11.335 -7.237 1.00 0.00 N ATOM 235 CA GLY A 15 1.014 12.336 -6.165 1.00 0.00 C ATOM 236 C GLY A 15 1.444 13.706 -6.691 1.00 0.00 C ATOM 237 O GLY A 15 0.629 14.456 -7.227 1.00 0.00 O ATOM 0 H GLY A 15 1.134 10.384 -6.939 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.049 12.426 -5.667 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.729 11.996 -5.415 1.00 0.00 H new ATOM 241 N ALA A 16 2.727 14.026 -6.538 1.00 0.00 N ATOM 242 CA ALA A 16 3.243 15.309 -7.011 1.00 0.00 C ATOM 243 C ALA A 16 4.763 15.372 -6.872 1.00 0.00 C ATOM 244 O ALA A 16 5.470 15.647 -7.839 1.00 0.00 O ATOM 245 CB ALA A 16 2.612 16.460 -6.220 1.00 0.00 C ATOM 0 H ALA A 16 3.421 13.423 -6.096 1.00 0.00 H new ATOM 0 HA ALA A 16 2.982 15.406 -8.065 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.005 17.410 -6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.530 16.442 -6.351 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.851 16.349 -5.162 1.00 0.00 H new ATOM 251 N ALA A 17 5.251 15.119 -5.661 1.00 0.00 N ATOM 252 CA ALA A 17 6.688 15.151 -5.392 1.00 0.00 C ATOM 253 C ALA A 17 7.182 16.588 -5.251 1.00 0.00 C ATOM 254 O ALA A 17 7.667 17.192 -6.208 1.00 0.00 O ATOM 255 CB ALA A 17 7.455 14.434 -6.511 1.00 0.00 C ATOM 0 H ALA A 17 4.675 14.890 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 17 6.870 14.632 -4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.523 14.466 -6.298 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.127 13.396 -6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.260 14.930 -7.462 1.00 0.00 H new ATOM 261 N LEU A 18 7.047 17.117 -4.044 1.00 0.00 N ATOM 262 CA LEU A 18 7.464 18.481 -3.749 1.00 0.00 C ATOM 263 C LEU A 18 7.257 18.786 -2.274 1.00 0.00 C ATOM 264 O LEU A 18 7.283 19.944 -1.858 1.00 0.00 O ATOM 265 CB LEU A 18 6.647 19.469 -4.600 1.00 0.00 C ATOM 266 CG LEU A 18 5.119 19.255 -4.372 1.00 0.00 C ATOM 267 CD1 LEU A 18 4.563 20.260 -3.348 1.00 0.00 C ATOM 268 CD2 LEU A 18 4.361 19.439 -5.694 1.00 0.00 C ATOM 0 H LEU A 18 6.649 16.619 -3.248 1.00 0.00 H new ATOM 0 HA LEU A 18 8.523 18.585 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.919 20.492 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.886 19.333 -5.655 1.00 0.00 H new ATOM 0 HG LEU A 18 4.981 18.243 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.496 20.086 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.078 20.132 -2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.721 21.275 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.295 19.288 -5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.529 20.447 -6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.720 18.713 -6.423 1.00 0.00 H new ATOM 280 N GLY A 19 7.027 17.741 -1.492 1.00 0.00 N ATOM 281 CA GLY A 19 6.780 17.905 -0.075 1.00 0.00 C ATOM 282 C GLY A 19 7.854 18.766 0.553 1.00 0.00 C ATOM 283 O GLY A 19 8.978 18.831 0.054 1.00 0.00 O ATOM 0 H GLY A 19 7.007 16.775 -1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.803 18.362 0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.756 16.930 0.411 1.00 0.00 H new ATOM 287 N ASN A 20 7.514 19.407 1.665 1.00 0.00 N ATOM 288 CA ASN A 20 8.486 20.243 2.369 1.00 0.00 C ATOM 289 C ASN A 20 9.834 19.510 2.421 1.00 0.00 C ATOM 290 O ASN A 20 10.867 20.083 2.074 1.00 0.00 O ATOM 291 CB ASN A 20 7.975 20.597 3.792 1.00 0.00 C ATOM 292 CG ASN A 20 7.973 22.114 4.014 1.00 0.00 C ATOM 293 OD1 ASN A 20 8.800 22.826 3.446 1.00 0.00 O ATOM 294 ND2 ASN A 20 7.086 22.647 4.810 1.00 0.00 N ATOM 0 H ASN A 20 6.590 19.368 2.095 1.00 0.00 H new ATOM 0 HA ASN A 20 8.618 21.183 1.832 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.967 20.205 3.928 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.607 20.117 4.539 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.078 23.656 4.962 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.401 22.055 5.280 1.00 0.00 H new ATOM 301 N PRO A 21 9.842 18.246 2.796 1.00 0.00 N ATOM 302 CA PRO A 21 11.093 17.435 2.823 1.00 0.00 C ATOM 303 C PRO A 21 11.647 17.336 1.414 1.00 0.00 C ATOM 304 O PRO A 21 12.822 17.598 1.157 1.00 0.00 O ATOM 305 CB PRO A 21 10.624 16.054 3.333 1.00 0.00 C ATOM 306 CG PRO A 21 9.343 16.334 4.039 1.00 0.00 C ATOM 307 CD PRO A 21 8.690 17.441 3.226 1.00 0.00 C ATOM 0 HA PRO A 21 11.881 17.856 3.448 1.00 0.00 H new ATOM 0 HB2 PRO A 21 10.479 15.355 2.509 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.358 15.608 4.004 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.711 15.447 4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.518 16.648 5.068 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.133 17.045 2.377 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.989 18.023 3.824 1.00 0.00 H new ATOM 315 N GLY A 22 10.753 16.944 0.508 1.00 0.00 N ATOM 316 CA GLY A 22 11.077 16.782 -0.895 1.00 0.00 C ATOM 317 C GLY A 22 10.678 15.379 -1.367 1.00 0.00 C ATOM 318 O GLY A 22 10.258 14.546 -0.563 1.00 0.00 O ATOM 0 H GLY A 22 9.782 16.731 0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.556 17.535 -1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.145 16.937 -1.050 1.00 0.00 H new ATOM 322 N PRO A 23 10.834 15.097 -2.637 1.00 0.00 N ATOM 323 CA PRO A 23 10.518 13.752 -3.227 1.00 0.00 C ATOM 324 C PRO A 23 11.255 12.609 -2.536 1.00 0.00 C ATOM 325 O PRO A 23 10.946 11.439 -2.754 1.00 0.00 O ATOM 326 CB PRO A 23 11.034 13.885 -4.660 1.00 0.00 C ATOM 327 CG PRO A 23 10.931 15.324 -4.970 1.00 0.00 C ATOM 328 CD PRO A 23 11.312 16.026 -3.676 1.00 0.00 C ATOM 0 HA PRO A 23 9.459 13.513 -3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.063 13.536 -4.743 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.438 13.289 -5.351 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.601 15.603 -5.784 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.921 15.590 -5.283 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.388 16.188 -3.607 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.836 17.003 -3.593 1.00 0.00 H new ATOM 336 N GLY A 24 12.263 12.978 -1.765 1.00 0.00 N ATOM 337 CA GLY A 24 13.114 12.018 -1.064 1.00 0.00 C ATOM 338 C GLY A 24 12.375 10.735 -0.673 1.00 0.00 C ATOM 339 O GLY A 24 13.001 9.687 -0.533 1.00 0.00 O ATOM 0 H GLY A 24 12.519 13.952 -1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.963 11.763 -1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.517 12.486 -0.166 1.00 0.00 H new ATOM 343 N THR A 25 11.050 10.827 -0.551 1.00 0.00 N ATOM 344 CA THR A 25 10.198 9.675 -0.223 1.00 0.00 C ATOM 345 C THR A 25 8.777 10.125 0.139 1.00 0.00 C ATOM 346 O THR A 25 7.928 9.298 0.479 1.00 0.00 O ATOM 347 CB THR A 25 10.763 8.884 0.958 1.00 0.00 C ATOM 348 OG1 THR A 25 9.820 7.896 1.354 1.00 0.00 O ATOM 349 CG2 THR A 25 11.027 9.827 2.136 1.00 0.00 C ATOM 0 H THR A 25 10.535 11.698 -0.676 1.00 0.00 H new ATOM 0 HA THR A 25 10.172 9.042 -1.110 1.00 0.00 H new ATOM 0 HB THR A 25 11.697 8.408 0.659 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.990 8.014 0.846 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.429 9.258 2.974 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.746 10.590 1.837 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.094 10.305 2.436 1.00 0.00 H new ATOM 357 N THR A 26 8.514 11.425 0.059 1.00 0.00 N ATOM 358 CA THR A 26 7.203 11.947 0.374 1.00 0.00 C ATOM 359 C THR A 26 6.222 11.643 -0.737 1.00 0.00 C ATOM 360 O THR A 26 5.057 11.389 -0.491 1.00 0.00 O ATOM 361 CB THR A 26 7.276 13.449 0.594 1.00 0.00 C ATOM 362 OG1 THR A 26 7.951 14.051 -0.501 1.00 0.00 O ATOM 363 CG2 THR A 26 8.031 13.740 1.889 1.00 0.00 C ATOM 0 H THR A 26 9.195 12.130 -0.222 1.00 0.00 H new ATOM 0 HA THR A 26 6.856 11.464 1.288 1.00 0.00 H new ATOM 0 HB THR A 26 6.268 13.858 0.668 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.795 14.441 -0.191 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.083 14.817 2.046 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.510 13.276 2.726 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.040 13.334 1.821 1.00 0.00 H new ATOM 371 N ASN A 27 6.706 11.669 -1.959 1.00 0.00 N ATOM 372 CA ASN A 27 5.861 11.398 -3.105 1.00 0.00 C ATOM 373 C ASN A 27 5.275 10.013 -2.976 1.00 0.00 C ATOM 374 O ASN A 27 4.088 9.789 -3.198 1.00 0.00 O ATOM 375 CB ASN A 27 6.684 11.447 -4.383 1.00 0.00 C ATOM 376 CG ASN A 27 5.770 11.304 -5.596 1.00 0.00 C ATOM 377 OD1 ASN A 27 6.247 11.236 -6.729 1.00 0.00 O ATOM 378 ND2 ASN A 27 4.477 11.249 -5.425 1.00 0.00 N ATOM 0 H ASN A 27 7.679 11.875 -2.187 1.00 0.00 H new ATOM 0 HA ASN A 27 5.071 12.148 -3.143 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.231 12.388 -4.438 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.425 10.648 -4.379 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.860 11.149 -6.231 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.084 11.305 -4.485 1.00 0.00 H new ATOM 385 N ASN A 28 6.137 9.095 -2.598 1.00 0.00 N ATOM 386 CA ASN A 28 5.743 7.711 -2.418 1.00 0.00 C ATOM 387 C ASN A 28 4.729 7.624 -1.292 1.00 0.00 C ATOM 388 O ASN A 28 3.722 6.922 -1.390 1.00 0.00 O ATOM 389 CB ASN A 28 6.973 6.883 -2.081 1.00 0.00 C ATOM 390 CG ASN A 28 8.032 7.087 -3.158 1.00 0.00 C ATOM 391 OD1 ASN A 28 8.069 6.357 -4.146 1.00 0.00 O ATOM 392 ND2 ASN A 28 8.890 8.060 -3.031 1.00 0.00 N ATOM 0 H ASN A 28 7.122 9.282 -2.408 1.00 0.00 H new ATOM 0 HA ASN A 28 5.293 7.327 -3.333 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.367 7.177 -1.108 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.707 5.828 -2.012 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.594 8.217 -3.752 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.858 8.665 -2.210 1.00 0.00 H new ATOM 399 N ARG A 29 4.995 8.377 -0.236 1.00 0.00 N ATOM 400 CA ARG A 29 4.119 8.438 0.899 1.00 0.00 C ATOM 401 C ARG A 29 2.822 9.121 0.500 1.00 0.00 C ATOM 402 O ARG A 29 1.743 8.708 0.906 1.00 0.00 O ATOM 403 CB ARG A 29 4.827 9.216 1.993 1.00 0.00 C ATOM 404 CG ARG A 29 3.980 9.260 3.237 1.00 0.00 C ATOM 405 CD ARG A 29 4.730 10.042 4.314 1.00 0.00 C ATOM 406 NE ARG A 29 3.886 10.203 5.481 1.00 0.00 N ATOM 407 CZ ARG A 29 4.369 10.692 6.620 1.00 0.00 C ATOM 408 NH1 ARG A 29 5.627 11.030 6.701 1.00 0.00 N ATOM 409 NH2 ARG A 29 3.586 10.838 7.654 1.00 0.00 N ATOM 0 H ARG A 29 5.828 8.960 -0.152 1.00 0.00 H new ATOM 0 HA ARG A 29 3.876 7.439 1.261 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.787 8.751 2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.035 10.230 1.651 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.022 9.734 3.025 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.766 8.249 3.584 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.646 9.517 4.586 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.024 11.018 3.929 1.00 0.00 H new ATOM 0 HE ARG A 29 2.903 9.936 5.428 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.238 10.919 5.892 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.999 11.405 7.573 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.602 10.577 7.590 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.958 11.213 8.527 1.00 0.00 H new ATOM 423 N MET A 30 2.940 10.168 -0.311 1.00 0.00 N ATOM 424 CA MET A 30 1.777 10.899 -0.774 1.00 0.00 C ATOM 425 C MET A 30 0.926 10.004 -1.657 1.00 0.00 C ATOM 426 O MET A 30 -0.298 9.971 -1.530 1.00 0.00 O ATOM 427 CB MET A 30 2.261 12.119 -1.545 1.00 0.00 C ATOM 428 CG MET A 30 2.910 13.108 -0.566 1.00 0.00 C ATOM 429 SD MET A 30 1.678 14.303 0.021 1.00 0.00 S ATOM 430 CE MET A 30 1.330 15.126 -1.554 1.00 0.00 C ATOM 0 H MET A 30 3.830 10.525 -0.658 1.00 0.00 H new ATOM 0 HA MET A 30 1.164 11.219 0.068 1.00 0.00 H new ATOM 0 HB2 MET A 30 2.979 11.820 -2.309 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.426 12.594 -2.060 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.336 12.568 0.280 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.731 13.631 -1.056 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.136 16.184 -1.377 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.189 15.021 -2.217 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.456 14.669 -2.018 1.00 0.00 H new ATOM 440 N GLU A 31 1.588 9.241 -2.514 1.00 0.00 N ATOM 441 CA GLU A 31 0.881 8.306 -3.366 1.00 0.00 C ATOM 442 C GLU A 31 0.255 7.249 -2.474 1.00 0.00 C ATOM 443 O GLU A 31 -0.856 6.782 -2.720 1.00 0.00 O ATOM 444 CB GLU A 31 1.842 7.655 -4.361 1.00 0.00 C ATOM 445 CG GLU A 31 2.222 8.666 -5.445 1.00 0.00 C ATOM 446 CD GLU A 31 3.269 8.064 -6.376 1.00 0.00 C ATOM 447 OE1 GLU A 31 3.624 6.915 -6.169 1.00 0.00 O ATOM 448 OE2 GLU A 31 3.699 8.760 -7.280 1.00 0.00 O ATOM 0 H GLU A 31 2.601 9.252 -2.635 1.00 0.00 H new ATOM 0 HA GLU A 31 0.113 8.826 -3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.736 7.308 -3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.375 6.780 -4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.337 8.950 -6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.611 9.575 -4.986 1.00 0.00 H new ATOM 455 N LEU A 32 0.978 6.911 -1.408 1.00 0.00 N ATOM 456 CA LEU A 32 0.499 5.949 -0.448 1.00 0.00 C ATOM 457 C LEU A 32 -0.660 6.570 0.330 1.00 0.00 C ATOM 458 O LEU A 32 -1.654 5.909 0.625 1.00 0.00 O ATOM 459 CB LEU A 32 1.636 5.570 0.516 1.00 0.00 C ATOM 460 CG LEU A 32 1.231 4.331 1.337 1.00 0.00 C ATOM 461 CD1 LEU A 32 1.563 3.045 0.565 1.00 0.00 C ATOM 462 CD2 LEU A 32 1.975 4.296 2.685 1.00 0.00 C ATOM 0 H LEU A 32 1.898 7.296 -1.197 1.00 0.00 H new ATOM 0 HA LEU A 32 0.158 5.049 -0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.548 5.364 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.854 6.404 1.183 1.00 0.00 H new ATOM 0 HG LEU A 32 0.158 4.393 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.271 2.179 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.020 3.037 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.634 3.005 0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.671 3.412 3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.050 4.261 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.731 5.190 3.258 1.00 0.00 H new ATOM 474 N LYS A 33 -0.510 7.858 0.647 1.00 0.00 N ATOM 475 CA LYS A 33 -1.530 8.603 1.380 1.00 0.00 C ATOM 476 C LYS A 33 -2.804 8.689 0.540 1.00 0.00 C ATOM 477 O LYS A 33 -3.912 8.476 1.029 1.00 0.00 O ATOM 478 CB LYS A 33 -1.003 10.014 1.687 1.00 0.00 C ATOM 479 CG LYS A 33 -1.722 10.620 2.903 1.00 0.00 C ATOM 480 CD LYS A 33 -3.213 10.857 2.598 1.00 0.00 C ATOM 481 CE LYS A 33 -3.735 12.025 3.444 1.00 0.00 C ATOM 482 NZ LYS A 33 -5.222 12.074 3.370 1.00 0.00 N ATOM 0 H LYS A 33 0.314 8.408 0.405 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.758 8.093 2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.069 9.972 1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.147 10.656 0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.623 9.952 3.759 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.249 11.563 3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.347 11.075 1.538 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.786 9.955 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.417 11.907 4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.312 12.964 3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.578 12.801 4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.514 12.307 2.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.614 11.148 3.636 1.00 0.00 H new ATOM 496 N ALA A 34 -2.628 8.994 -0.740 1.00 0.00 N ATOM 497 CA ALA A 34 -3.756 9.096 -1.655 1.00 0.00 C ATOM 498 C ALA A 34 -4.426 7.735 -1.820 1.00 0.00 C ATOM 499 O ALA A 34 -5.626 7.648 -2.077 1.00 0.00 O ATOM 500 CB ALA A 34 -3.274 9.602 -3.019 1.00 0.00 C ATOM 0 H ALA A 34 -1.719 9.174 -1.166 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.480 9.799 -1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.122 9.676 -3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.816 10.584 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.541 8.906 -3.427 1.00 0.00 H new ATOM 506 N ALA A 35 -3.634 6.676 -1.671 1.00 0.00 N ATOM 507 CA ALA A 35 -4.147 5.319 -1.807 1.00 0.00 C ATOM 508 C ALA A 35 -5.093 4.985 -0.662 1.00 0.00 C ATOM 509 O ALA A 35 -6.244 4.616 -0.895 1.00 0.00 O ATOM 510 CB ALA A 35 -2.989 4.319 -1.824 1.00 0.00 C ATOM 0 H ALA A 35 -2.638 6.733 -1.457 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.696 5.253 -2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.383 3.308 -1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.331 4.539 -2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.427 4.397 -0.893 1.00 0.00 H new ATOM 516 N ILE A 36 -4.622 5.132 0.574 1.00 0.00 N ATOM 517 CA ILE A 36 -5.474 4.842 1.718 1.00 0.00 C ATOM 518 C ILE A 36 -6.767 5.635 1.587 1.00 0.00 C ATOM 519 O ILE A 36 -7.845 5.132 1.894 1.00 0.00 O ATOM 520 CB ILE A 36 -4.737 5.152 3.035 1.00 0.00 C ATOM 521 CG1 ILE A 36 -5.708 5.077 4.250 1.00 0.00 C ATOM 522 CG2 ILE A 36 -4.048 6.508 2.952 1.00 0.00 C ATOM 523 CD1 ILE A 36 -6.243 6.459 4.647 1.00 0.00 C ATOM 0 H ILE A 36 -3.678 5.443 0.804 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.721 3.781 1.738 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.969 4.394 3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.544 4.422 4.006 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.191 4.631 5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.532 6.712 3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.326 6.500 2.135 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.792 7.284 2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.916 6.358 5.498 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.410 7.108 4.918 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.784 6.895 3.807 1.00 0.00 H new ATOM 535 N GLU A 37 -6.658 6.860 1.075 1.00 0.00 N ATOM 536 CA GLU A 37 -7.836 7.685 0.851 1.00 0.00 C ATOM 537 C GLU A 37 -8.609 7.170 -0.361 1.00 0.00 C ATOM 538 O GLU A 37 -9.839 7.199 -0.386 1.00 0.00 O ATOM 539 CB GLU A 37 -7.434 9.146 0.625 1.00 0.00 C ATOM 540 CG GLU A 37 -6.924 9.754 1.934 1.00 0.00 C ATOM 541 CD GLU A 37 -8.072 9.890 2.932 1.00 0.00 C ATOM 542 OE1 GLU A 37 -9.207 9.697 2.529 1.00 0.00 O ATOM 543 OE2 GLU A 37 -7.799 10.194 4.081 1.00 0.00 O ATOM 0 H GLU A 37 -5.775 7.296 0.811 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.471 7.629 1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.660 9.205 -0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.288 9.715 0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.139 9.125 2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.481 10.731 1.742 1.00 0.00 H new ATOM 550 N GLY A 38 -7.869 6.716 -1.372 1.00 0.00 N ATOM 551 CA GLY A 38 -8.486 6.214 -2.598 1.00 0.00 C ATOM 552 C GLY A 38 -9.155 4.857 -2.391 1.00 0.00 C ATOM 553 O GLY A 38 -9.785 4.325 -3.304 1.00 0.00 O ATOM 0 H GLY A 38 -6.849 6.686 -1.367 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.226 6.932 -2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.728 6.129 -3.376 1.00 0.00 H new ATOM 557 N LEU A 39 -9.017 4.295 -1.192 1.00 0.00 N ATOM 558 CA LEU A 39 -9.619 3.000 -0.879 1.00 0.00 C ATOM 559 C LEU A 39 -10.557 3.155 0.311 1.00 0.00 C ATOM 560 O LEU A 39 -11.433 2.323 0.545 1.00 0.00 O ATOM 561 CB LEU A 39 -8.520 1.976 -0.539 1.00 0.00 C ATOM 562 CG LEU A 39 -7.405 1.950 -1.636 1.00 0.00 C ATOM 563 CD1 LEU A 39 -6.017 1.765 -1.001 1.00 0.00 C ATOM 564 CD2 LEU A 39 -7.629 0.782 -2.613 1.00 0.00 C ATOM 0 H LEU A 39 -8.495 4.715 -0.423 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.179 2.646 -1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.077 2.222 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.962 0.984 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.454 2.902 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.258 1.750 -1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.817 2.590 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.991 0.824 -0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.842 0.783 -3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.606 -0.160 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.598 0.895 -3.099 1.00 0.00 H new ATOM 576 N LYS A 40 -10.360 4.237 1.055 1.00 0.00 N ATOM 577 CA LYS A 40 -11.171 4.536 2.222 1.00 0.00 C ATOM 578 C LYS A 40 -12.238 5.562 1.858 1.00 0.00 C ATOM 579 O LYS A 40 -13.318 5.591 2.448 1.00 0.00 O ATOM 580 CB LYS A 40 -10.251 5.122 3.297 1.00 0.00 C ATOM 581 CG LYS A 40 -11.034 5.486 4.581 1.00 0.00 C ATOM 582 CD LYS A 40 -10.399 6.714 5.235 1.00 0.00 C ATOM 583 CE LYS A 40 -11.208 7.125 6.465 1.00 0.00 C ATOM 584 NZ LYS A 40 -10.607 8.347 7.068 1.00 0.00 N ATOM 0 H LYS A 40 -9.635 4.928 0.864 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.660 3.632 2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.469 4.402 3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.756 6.012 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.077 5.689 4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.026 4.646 5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.371 6.493 5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.361 7.538 4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.244 7.316 6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.219 6.315 7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.157 8.627 7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.625 8.149 7.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.618 9.119 6.372 1.00 0.00 H new ATOM 598 N ALA A 41 -11.926 6.412 0.888 1.00 0.00 N ATOM 599 CA ALA A 41 -12.866 7.454 0.480 1.00 0.00 C ATOM 600 C ALA A 41 -13.874 6.928 -0.523 1.00 0.00 C ATOM 601 O ALA A 41 -14.650 7.692 -1.097 1.00 0.00 O ATOM 602 CB ALA A 41 -12.107 8.647 -0.101 1.00 0.00 C ATOM 0 H ALA A 41 -11.045 6.404 0.375 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.416 7.778 1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.816 9.418 -0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.431 9.050 0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.532 8.325 -0.969 1.00 0.00 H new ATOM 608 N LEU A 42 -13.856 5.617 -0.733 1.00 0.00 N ATOM 609 CA LEU A 42 -14.775 4.976 -1.677 1.00 0.00 C ATOM 610 C LEU A 42 -15.674 3.958 -0.970 1.00 0.00 C ATOM 611 O LEU A 42 -16.898 4.021 -1.092 1.00 0.00 O ATOM 612 CB LEU A 42 -13.956 4.296 -2.801 1.00 0.00 C ATOM 613 CG LEU A 42 -13.669 5.306 -3.966 1.00 0.00 C ATOM 614 CD1 LEU A 42 -12.216 5.164 -4.446 1.00 0.00 C ATOM 615 CD2 LEU A 42 -14.613 5.059 -5.167 1.00 0.00 C ATOM 0 H LEU A 42 -13.217 4.974 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.424 5.737 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.015 3.922 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.502 3.435 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.840 6.310 -3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.029 5.870 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.538 5.372 -3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.049 4.149 -4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.390 5.775 -5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.467 4.046 -5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.648 5.182 -4.848 1.00 0.00 H new ATOM 627 N LYS A 43 -15.059 3.016 -0.261 1.00 0.00 N ATOM 628 CA LYS A 43 -15.798 1.980 0.443 1.00 0.00 C ATOM 629 C LYS A 43 -16.635 1.195 -0.540 1.00 0.00 C ATOM 630 O LYS A 43 -17.615 0.543 -0.178 1.00 0.00 O ATOM 631 CB LYS A 43 -16.677 2.623 1.520 1.00 0.00 C ATOM 632 CG LYS A 43 -15.796 3.079 2.707 1.00 0.00 C ATOM 633 CD LYS A 43 -16.406 4.311 3.384 1.00 0.00 C ATOM 634 CE LYS A 43 -15.580 4.675 4.618 1.00 0.00 C ATOM 635 NZ LYS A 43 -16.011 6.008 5.129 1.00 0.00 N ATOM 0 H LYS A 43 -14.046 2.951 -0.160 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.103 1.293 0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -17.214 3.476 1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.427 1.911 1.864 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.701 2.269 3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.791 3.311 2.354 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.427 5.149 2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -17.438 4.108 3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.709 3.918 5.392 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.520 4.696 4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.449 6.256 5.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.866 6.726 4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.018 5.973 5.385 1.00 0.00 H new ATOM 649 N GLU A 44 -16.222 1.268 -1.799 1.00 0.00 N ATOM 650 CA GLU A 44 -16.902 0.571 -2.878 1.00 0.00 C ATOM 651 C GLU A 44 -16.045 -0.610 -3.358 1.00 0.00 C ATOM 652 O GLU A 44 -15.159 -0.423 -4.190 1.00 0.00 O ATOM 653 CB GLU A 44 -17.127 1.546 -4.047 1.00 0.00 C ATOM 654 CG GLU A 44 -18.400 2.365 -3.806 1.00 0.00 C ATOM 655 CD GLU A 44 -19.628 1.479 -3.992 1.00 0.00 C ATOM 656 OE1 GLU A 44 -19.832 1.007 -5.099 1.00 0.00 O ATOM 657 OE2 GLU A 44 -20.346 1.285 -3.025 1.00 0.00 O ATOM 0 H GLU A 44 -15.411 1.809 -2.098 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.860 0.196 -2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.270 2.211 -4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.212 0.993 -4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -18.390 2.782 -2.799 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -18.439 3.206 -4.498 1.00 0.00 H new ATOM 664 N PRO A 45 -16.274 -1.810 -2.868 1.00 0.00 N ATOM 665 CA PRO A 45 -15.473 -2.993 -3.297 1.00 0.00 C ATOM 666 C PRO A 45 -15.223 -2.979 -4.804 1.00 0.00 C ATOM 667 O PRO A 45 -16.095 -3.351 -5.589 1.00 0.00 O ATOM 668 CB PRO A 45 -16.353 -4.170 -2.876 1.00 0.00 C ATOM 669 CG PRO A 45 -17.055 -3.683 -1.649 1.00 0.00 C ATOM 670 CD PRO A 45 -17.299 -2.184 -1.873 1.00 0.00 C ATOM 0 HA PRO A 45 -14.478 -3.027 -2.853 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -17.061 -4.438 -3.660 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.757 -5.058 -2.668 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -17.995 -4.214 -1.500 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -16.449 -3.852 -0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -18.306 -1.993 -2.244 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -17.186 -1.617 -0.949 1.00 0.00 H new ATOM 678 N ALA A 46 -14.039 -2.508 -5.206 1.00 0.00 N ATOM 679 CA ALA A 46 -13.706 -2.406 -6.638 1.00 0.00 C ATOM 680 C ALA A 46 -12.273 -2.851 -6.948 1.00 0.00 C ATOM 681 O ALA A 46 -11.388 -2.788 -6.095 1.00 0.00 O ATOM 682 CB ALA A 46 -13.932 -0.950 -7.077 1.00 0.00 C ATOM 0 H ALA A 46 -13.302 -2.194 -4.574 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.354 -3.083 -7.195 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.692 -0.848 -8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.975 -0.678 -6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.289 -0.290 -6.494 1.00 0.00 H new ATOM 688 N GLU A 47 -12.061 -3.293 -8.203 1.00 0.00 N ATOM 689 CA GLU A 47 -10.735 -3.740 -8.647 1.00 0.00 C ATOM 690 C GLU A 47 -9.937 -2.547 -9.151 1.00 0.00 C ATOM 691 O GLU A 47 -9.871 -2.286 -10.341 1.00 0.00 O ATOM 692 CB GLU A 47 -10.860 -4.769 -9.780 1.00 0.00 C ATOM 693 CG GLU A 47 -11.346 -6.111 -9.230 1.00 0.00 C ATOM 694 CD GLU A 47 -11.263 -7.173 -10.320 1.00 0.00 C ATOM 695 OE1 GLU A 47 -10.966 -6.816 -11.448 1.00 0.00 O ATOM 696 OE2 GLU A 47 -11.501 -8.329 -10.011 1.00 0.00 O ATOM 0 H GLU A 47 -12.786 -3.348 -8.918 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.227 -4.202 -7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.556 -4.405 -10.536 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.895 -4.898 -10.271 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.738 -6.406 -8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.373 -6.019 -8.875 1.00 0.00 H new ATOM 703 N VAL A 48 -9.336 -1.816 -8.244 1.00 0.00 N ATOM 704 CA VAL A 48 -8.581 -0.645 -8.625 1.00 0.00 C ATOM 705 C VAL A 48 -7.228 -1.012 -9.207 1.00 0.00 C ATOM 706 O VAL A 48 -6.336 -1.478 -8.498 1.00 0.00 O ATOM 707 CB VAL A 48 -8.345 0.233 -7.390 1.00 0.00 C ATOM 708 CG1 VAL A 48 -8.047 1.694 -7.799 1.00 0.00 C ATOM 709 CG2 VAL A 48 -9.566 0.172 -6.443 1.00 0.00 C ATOM 0 H VAL A 48 -9.354 -2.009 -7.242 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.158 -0.115 -9.382 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.475 -0.153 -6.860 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.883 2.296 -6.905 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.154 1.722 -8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.893 2.095 -8.357 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.382 0.800 -5.572 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.452 0.529 -6.968 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.726 -0.857 -6.121 1.00 0.00 H new ATOM 719 N ASP A 49 -7.069 -0.738 -10.483 1.00 0.00 N ATOM 720 CA ASP A 49 -5.795 -0.981 -11.135 1.00 0.00 C ATOM 721 C ASP A 49 -4.851 0.149 -10.767 1.00 0.00 C ATOM 722 O ASP A 49 -4.490 0.985 -11.597 1.00 0.00 O ATOM 723 CB ASP A 49 -5.956 -1.073 -12.654 1.00 0.00 C ATOM 724 CG ASP A 49 -4.662 -1.588 -13.278 1.00 0.00 C ATOM 725 OD1 ASP A 49 -3.619 -1.390 -12.676 1.00 0.00 O ATOM 726 OD2 ASP A 49 -4.733 -2.173 -14.345 1.00 0.00 O ATOM 0 H ASP A 49 -7.795 -0.351 -11.086 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.391 -1.935 -10.798 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.781 -1.740 -12.902 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.204 -0.094 -13.063 1.00 0.00 H new ATOM 731 N LEU A 50 -4.482 0.166 -9.494 1.00 0.00 N ATOM 732 CA LEU A 50 -3.606 1.191 -8.961 1.00 0.00 C ATOM 733 C LEU A 50 -2.235 1.129 -9.622 1.00 0.00 C ATOM 734 O LEU A 50 -1.427 0.262 -9.292 1.00 0.00 O ATOM 735 CB LEU A 50 -3.446 0.983 -7.441 1.00 0.00 C ATOM 736 CG LEU A 50 -3.015 2.302 -6.767 1.00 0.00 C ATOM 737 CD1 LEU A 50 -3.092 2.183 -5.234 1.00 0.00 C ATOM 738 CD2 LEU A 50 -1.580 2.666 -7.192 1.00 0.00 C ATOM 0 H LEU A 50 -4.781 -0.527 -8.808 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.048 2.167 -9.164 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.387 0.637 -7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.704 0.208 -7.248 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.697 3.090 -7.087 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.784 3.125 -4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.116 1.955 -4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.431 1.384 -4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.284 3.599 -6.712 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.899 1.870 -6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.541 2.787 -8.275 1.00 0.00 H new ATOM 750 N TYR A 51 -1.955 2.061 -10.537 1.00 0.00 N ATOM 751 CA TYR A 51 -0.644 2.076 -11.186 1.00 0.00 C ATOM 752 C TYR A 51 0.312 2.934 -10.357 1.00 0.00 C ATOM 753 O TYR A 51 0.140 4.149 -10.265 1.00 0.00 O ATOM 754 CB TYR A 51 -0.711 2.629 -12.618 1.00 0.00 C ATOM 755 CG TYR A 51 -1.959 2.150 -13.324 1.00 0.00 C ATOM 756 CD1 TYR A 51 -3.142 2.892 -13.240 1.00 0.00 C ATOM 757 CD2 TYR A 51 -1.932 0.971 -14.079 1.00 0.00 C ATOM 758 CE1 TYR A 51 -4.287 2.460 -13.904 1.00 0.00 C ATOM 759 CE2 TYR A 51 -3.081 0.537 -14.746 1.00 0.00 C ATOM 760 CZ TYR A 51 -4.261 1.282 -14.659 1.00 0.00 C ATOM 761 OH TYR A 51 -5.397 0.855 -15.316 1.00 0.00 O ATOM 0 H TYR A 51 -2.597 2.794 -10.838 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.289 1.047 -11.247 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.699 3.719 -12.592 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.171 2.313 -13.176 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.167 3.802 -12.659 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.021 0.395 -14.146 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.198 3.036 -13.836 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.057 -0.373 -15.328 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.205 0.021 -15.793 1.00 0.00 H new ATOM 771 N THR A 52 1.303 2.296 -9.733 1.00 0.00 N ATOM 772 CA THR A 52 2.264 3.008 -8.882 1.00 0.00 C ATOM 773 C THR A 52 3.691 2.843 -9.390 1.00 0.00 C ATOM 774 O THR A 52 4.244 1.746 -9.369 1.00 0.00 O ATOM 775 CB THR A 52 2.173 2.463 -7.450 1.00 0.00 C ATOM 776 OG1 THR A 52 3.152 3.103 -6.645 1.00 0.00 O ATOM 777 CG2 THR A 52 2.420 0.946 -7.438 1.00 0.00 C ATOM 0 H THR A 52 1.463 1.291 -9.799 1.00 0.00 H new ATOM 0 HA THR A 52 2.015 4.069 -8.904 1.00 0.00 H new ATOM 0 HB THR A 52 1.176 2.662 -7.057 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.927 2.513 -6.541 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.352 0.574 -6.416 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.670 0.450 -8.055 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.413 0.736 -7.835 1.00 0.00 H new ATOM 785 N ASP A 53 4.294 3.944 -9.825 1.00 0.00 N ATOM 786 CA ASP A 53 5.671 3.914 -10.318 1.00 0.00 C ATOM 787 C ASP A 53 6.617 4.372 -9.216 1.00 0.00 C ATOM 788 O ASP A 53 7.551 5.136 -9.459 1.00 0.00 O ATOM 789 CB ASP A 53 5.815 4.847 -11.523 1.00 0.00 C ATOM 790 CG ASP A 53 5.507 6.282 -11.106 1.00 0.00 C ATOM 791 OD1 ASP A 53 5.073 6.471 -9.982 1.00 0.00 O ATOM 792 OD2 ASP A 53 5.707 7.169 -11.919 1.00 0.00 O ATOM 0 H ASP A 53 3.856 4.865 -9.847 1.00 0.00 H new ATOM 0 HA ASP A 53 5.918 2.895 -10.617 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.827 4.784 -11.924 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.137 4.536 -12.318 1.00 0.00 H new ATOM 797 N SER A 54 6.364 3.897 -7.997 1.00 0.00 N ATOM 798 CA SER A 54 7.192 4.256 -6.843 1.00 0.00 C ATOM 799 C SER A 54 8.172 3.134 -6.505 1.00 0.00 C ATOM 800 O SER A 54 7.961 1.979 -6.871 1.00 0.00 O ATOM 801 CB SER A 54 6.299 4.549 -5.640 1.00 0.00 C ATOM 802 OG SER A 54 5.776 5.866 -5.756 1.00 0.00 O ATOM 0 H SER A 54 5.594 3.264 -7.782 1.00 0.00 H new ATOM 0 HA SER A 54 7.767 5.147 -7.094 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.486 3.825 -5.591 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.869 4.451 -4.716 1.00 0.00 H new ATOM 0 HG SER A 54 4.827 5.821 -5.998 1.00 0.00 H new ATOM 808 N HIS A 55 9.255 3.496 -5.813 1.00 0.00 N ATOM 809 CA HIS A 55 10.289 2.530 -5.436 1.00 0.00 C ATOM 810 C HIS A 55 10.087 2.005 -4.020 1.00 0.00 C ATOM 811 O HIS A 55 10.929 1.279 -3.495 1.00 0.00 O ATOM 812 CB HIS A 55 11.666 3.187 -5.538 1.00 0.00 C ATOM 813 CG HIS A 55 11.974 3.490 -6.978 1.00 0.00 C ATOM 814 ND1 HIS A 55 12.214 2.491 -7.908 1.00 0.00 N ATOM 815 CD2 HIS A 55 12.093 4.675 -7.662 1.00 0.00 C ATOM 816 CE1 HIS A 55 12.462 3.087 -9.088 1.00 0.00 C ATOM 817 NE2 HIS A 55 12.402 4.417 -8.995 1.00 0.00 N ATOM 0 H HIS A 55 9.438 4.450 -5.503 1.00 0.00 H new ATOM 0 HA HIS A 55 10.219 1.686 -6.122 1.00 0.00 H new ATOM 0 HB2 HIS A 55 11.687 4.105 -4.950 1.00 0.00 H new ATOM 0 HB3 HIS A 55 12.427 2.526 -5.124 1.00 0.00 H new ATOM 0 HD2 HIS A 55 11.966 5.657 -7.232 1.00 0.00 H new ATOM 0 HE1 HIS A 55 12.683 2.554 -10.001 1.00 0.00 H new ATOM 0 HE2 HIS A 55 12.550 5.098 -9.740 1.00 0.00 H new ATOM 825 N TYR A 56 8.974 2.382 -3.405 1.00 0.00 N ATOM 826 CA TYR A 56 8.663 1.946 -2.036 1.00 0.00 C ATOM 827 C TYR A 56 7.439 1.040 -2.041 1.00 0.00 C ATOM 828 O TYR A 56 7.445 -0.036 -1.444 1.00 0.00 O ATOM 829 CB TYR A 56 8.401 3.179 -1.157 1.00 0.00 C ATOM 830 CG TYR A 56 7.979 2.791 0.260 1.00 0.00 C ATOM 831 CD1 TYR A 56 8.704 1.841 1.009 1.00 0.00 C ATOM 832 CD2 TYR A 56 6.848 3.399 0.835 1.00 0.00 C ATOM 833 CE1 TYR A 56 8.295 1.510 2.308 1.00 0.00 C ATOM 834 CE2 TYR A 56 6.446 3.063 2.130 1.00 0.00 C ATOM 835 CZ TYR A 56 7.166 2.120 2.867 1.00 0.00 C ATOM 836 OH TYR A 56 6.765 1.790 4.145 1.00 0.00 O ATOM 0 H TYR A 56 8.268 2.987 -3.825 1.00 0.00 H new ATOM 0 HA TYR A 56 9.508 1.387 -1.634 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.302 3.791 -1.113 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.622 3.791 -1.613 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.575 1.368 0.581 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.287 4.130 0.272 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.852 0.782 2.879 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.576 3.534 2.563 1.00 0.00 H new ATOM 0 HH TYR A 56 5.977 1.209 4.101 1.00 0.00 H new ATOM 846 N LEU A 57 6.397 1.485 -2.727 1.00 0.00 N ATOM 847 CA LEU A 57 5.169 0.720 -2.821 1.00 0.00 C ATOM 848 C LEU A 57 5.431 -0.609 -3.539 1.00 0.00 C ATOM 849 O LEU A 57 4.959 -1.670 -3.117 1.00 0.00 O ATOM 850 CB LEU A 57 4.146 1.532 -3.620 1.00 0.00 C ATOM 851 CG LEU A 57 3.526 2.639 -2.745 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.577 3.717 -2.449 1.00 0.00 C ATOM 853 CD2 LEU A 57 2.344 3.269 -3.491 1.00 0.00 C ATOM 0 H LEU A 57 6.380 2.374 -3.227 1.00 0.00 H new ATOM 0 HA LEU A 57 4.791 0.513 -1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.628 1.977 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.361 0.873 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 57 3.181 2.208 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.134 4.497 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.419 3.269 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.926 4.151 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.902 4.053 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.693 3.698 -4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.595 2.504 -3.698 1.00 0.00 H new ATOM 865 N LYS A 58 6.196 -0.528 -4.622 1.00 0.00 N ATOM 866 CA LYS A 58 6.538 -1.706 -5.412 1.00 0.00 C ATOM 867 C LYS A 58 7.485 -2.598 -4.630 1.00 0.00 C ATOM 868 O LYS A 58 7.212 -3.771 -4.397 1.00 0.00 O ATOM 869 CB LYS A 58 7.214 -1.243 -6.705 1.00 0.00 C ATOM 870 CG LYS A 58 7.655 -2.441 -7.557 1.00 0.00 C ATOM 871 CD LYS A 58 8.524 -1.932 -8.697 1.00 0.00 C ATOM 872 CE LYS A 58 8.963 -3.109 -9.574 1.00 0.00 C ATOM 873 NZ LYS A 58 9.840 -2.615 -10.674 1.00 0.00 N ATOM 0 H LYS A 58 6.592 0.343 -4.974 1.00 0.00 H new ATOM 0 HA LYS A 58 5.636 -2.273 -5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.526 -0.620 -7.276 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.079 -0.625 -6.466 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.210 -3.155 -6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.785 -2.966 -7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.970 -1.207 -9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.398 -1.416 -8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.497 -3.844 -8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.089 -3.611 -9.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.232 -3.425 -11.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.283 -2.022 -11.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.617 -2.053 -10.272 1.00 0.00 H new ATOM 887 N LYS A 59 8.596 -2.012 -4.229 1.00 0.00 N ATOM 888 CA LYS A 59 9.612 -2.715 -3.470 1.00 0.00 C ATOM 889 C LYS A 59 8.984 -3.626 -2.418 1.00 0.00 C ATOM 890 O LYS A 59 9.341 -4.798 -2.311 1.00 0.00 O ATOM 891 CB LYS A 59 10.474 -1.653 -2.793 1.00 0.00 C ATOM 892 CG LYS A 59 11.560 -2.276 -1.906 1.00 0.00 C ATOM 893 CD LYS A 59 12.250 -1.152 -1.086 1.00 0.00 C ATOM 894 CE LYS A 59 11.899 -1.305 0.401 1.00 0.00 C ATOM 895 NZ LYS A 59 12.545 -0.212 1.183 1.00 0.00 N ATOM 0 H LYS A 59 8.820 -1.035 -4.420 1.00 0.00 H new ATOM 0 HA LYS A 59 10.205 -3.348 -4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.941 -1.027 -3.553 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.841 -1.003 -2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.121 -3.015 -1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.294 -2.799 -2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.330 -1.201 -1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.928 -0.175 -1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.818 -1.272 0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.236 -2.275 0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.306 -0.317 2.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.577 -0.264 1.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.203 0.709 0.841 1.00 0.00 H new ATOM 909 N ALA A 60 8.063 -3.082 -1.637 1.00 0.00 N ATOM 910 CA ALA A 60 7.415 -3.866 -0.588 1.00 0.00 C ATOM 911 C ALA A 60 6.559 -4.984 -1.178 1.00 0.00 C ATOM 912 O ALA A 60 6.801 -6.163 -0.925 1.00 0.00 O ATOM 913 CB ALA A 60 6.542 -2.956 0.278 1.00 0.00 C ATOM 0 H ALA A 60 7.748 -2.114 -1.705 1.00 0.00 H new ATOM 0 HA ALA A 60 8.196 -4.319 0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.062 -3.547 1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.162 -2.186 0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.779 -2.486 -0.342 1.00 0.00 H new ATOM 919 N PHE A 61 5.544 -4.601 -1.940 1.00 0.00 N ATOM 920 CA PHE A 61 4.629 -5.568 -2.540 1.00 0.00 C ATOM 921 C PHE A 61 5.373 -6.609 -3.398 1.00 0.00 C ATOM 922 O PHE A 61 5.112 -7.807 -3.289 1.00 0.00 O ATOM 923 CB PHE A 61 3.597 -4.803 -3.403 1.00 0.00 C ATOM 924 CG PHE A 61 2.205 -5.371 -3.203 1.00 0.00 C ATOM 925 CD1 PHE A 61 1.822 -6.547 -3.863 1.00 0.00 C ATOM 926 CD2 PHE A 61 1.302 -4.722 -2.349 1.00 0.00 C ATOM 927 CE1 PHE A 61 0.538 -7.071 -3.672 1.00 0.00 C ATOM 928 CE2 PHE A 61 0.018 -5.248 -2.160 1.00 0.00 C ATOM 929 CZ PHE A 61 -0.364 -6.422 -2.821 1.00 0.00 C ATOM 0 H PHE A 61 5.331 -3.628 -2.159 1.00 0.00 H new ATOM 0 HA PHE A 61 4.127 -6.114 -1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.606 -3.746 -3.137 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.875 -4.869 -4.455 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.518 -7.049 -4.519 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.596 -3.817 -1.838 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.243 -7.976 -4.182 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.679 -4.748 -1.504 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.355 -6.827 -2.674 1.00 0.00 H new ATOM 939 N THR A 62 6.279 -6.149 -4.258 1.00 0.00 N ATOM 940 CA THR A 62 7.025 -7.059 -5.133 1.00 0.00 C ATOM 941 C THR A 62 7.928 -7.991 -4.330 1.00 0.00 C ATOM 942 O THR A 62 8.217 -9.106 -4.763 1.00 0.00 O ATOM 943 CB THR A 62 7.865 -6.273 -6.142 1.00 0.00 C ATOM 944 OG1 THR A 62 8.634 -5.290 -5.464 1.00 0.00 O ATOM 945 CG2 THR A 62 6.947 -5.598 -7.163 1.00 0.00 C ATOM 0 H THR A 62 6.515 -5.163 -4.370 1.00 0.00 H new ATOM 0 HA THR A 62 6.294 -7.664 -5.669 1.00 0.00 H new ATOM 0 HB THR A 62 8.536 -6.958 -6.661 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.070 -4.827 -4.810 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.549 -5.039 -7.880 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.368 -6.357 -7.689 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.270 -4.916 -6.649 1.00 0.00 H new ATOM 953 N GLU A 63 8.361 -7.542 -3.158 1.00 0.00 N ATOM 954 CA GLU A 63 9.216 -8.367 -2.306 1.00 0.00 C ATOM 955 C GLU A 63 8.371 -9.390 -1.556 1.00 0.00 C ATOM 956 O GLU A 63 8.896 -10.286 -0.894 1.00 0.00 O ATOM 957 CB GLU A 63 9.986 -7.481 -1.322 1.00 0.00 C ATOM 958 CG GLU A 63 11.176 -6.832 -2.039 1.00 0.00 C ATOM 959 CD GLU A 63 11.742 -5.702 -1.189 1.00 0.00 C ATOM 960 OE1 GLU A 63 11.125 -5.380 -0.190 1.00 0.00 O ATOM 961 OE2 GLU A 63 12.772 -5.165 -1.558 1.00 0.00 O ATOM 0 H GLU A 63 8.139 -6.622 -2.777 1.00 0.00 H new ATOM 0 HA GLU A 63 9.935 -8.899 -2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.328 -6.712 -0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.337 -8.076 -0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.948 -7.578 -2.228 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.861 -6.446 -3.009 1.00 0.00 H new ATOM 968 N GLY A 64 7.059 -9.256 -1.690 1.00 0.00 N ATOM 969 CA GLY A 64 6.125 -10.173 -1.052 1.00 0.00 C ATOM 970 C GLY A 64 6.481 -10.450 0.408 1.00 0.00 C ATOM 971 O GLY A 64 5.902 -11.347 1.022 1.00 0.00 O ATOM 0 H GLY A 64 6.616 -8.518 -2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.119 -9.757 -1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.110 -11.113 -1.603 1.00 0.00 H new ATOM 975 N TRP A 65 7.419 -9.687 0.978 1.00 0.00 N ATOM 976 CA TRP A 65 7.790 -9.902 2.378 1.00 0.00 C ATOM 977 C TRP A 65 6.791 -9.218 3.294 1.00 0.00 C ATOM 978 O TRP A 65 6.965 -9.169 4.513 1.00 0.00 O ATOM 979 CB TRP A 65 9.238 -9.446 2.670 1.00 0.00 C ATOM 980 CG TRP A 65 9.483 -7.953 2.547 1.00 0.00 C ATOM 981 CD1 TRP A 65 8.562 -6.944 2.502 1.00 0.00 C ATOM 982 CD2 TRP A 65 10.785 -7.295 2.474 1.00 0.00 C ATOM 983 NE1 TRP A 65 9.231 -5.735 2.420 1.00 0.00 N ATOM 984 CE2 TRP A 65 10.593 -5.899 2.393 1.00 0.00 C ATOM 985 CE3 TRP A 65 12.105 -7.781 2.469 1.00 0.00 C ATOM 986 CZ2 TRP A 65 11.667 -5.014 2.313 1.00 0.00 C ATOM 987 CZ3 TRP A 65 13.191 -6.893 2.385 1.00 0.00 C ATOM 988 CH2 TRP A 65 12.971 -5.511 2.307 1.00 0.00 C ATOM 0 H TRP A 65 7.922 -8.935 0.507 1.00 0.00 H new ATOM 0 HA TRP A 65 7.760 -10.974 2.575 1.00 0.00 H new ATOM 0 HB2 TRP A 65 9.504 -9.760 3.679 1.00 0.00 H new ATOM 0 HB3 TRP A 65 9.910 -9.966 1.987 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.490 -7.069 2.526 1.00 0.00 H new ATOM 0 HE1 TRP A 65 8.766 -4.828 2.384 1.00 0.00 H new ATOM 0 HE3 TRP A 65 12.285 -8.844 2.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.491 -3.950 2.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 14.200 -7.277 2.381 1.00 0.00 H new ATOM 0 HH2 TRP A 65 13.809 -4.832 2.242 1.00 0.00 H new ATOM 999 N LEU A 66 5.740 -8.688 2.675 1.00 0.00 N ATOM 1000 CA LEU A 66 4.690 -7.996 3.404 1.00 0.00 C ATOM 1001 C LEU A 66 4.027 -8.991 4.363 1.00 0.00 C ATOM 1002 O LEU A 66 3.638 -8.661 5.486 1.00 0.00 O ATOM 1003 CB LEU A 66 3.670 -7.418 2.397 1.00 0.00 C ATOM 1004 CG LEU A 66 3.009 -6.139 2.962 1.00 0.00 C ATOM 1005 CD1 LEU A 66 2.181 -5.426 1.875 1.00 0.00 C ATOM 1006 CD2 LEU A 66 2.109 -6.486 4.157 1.00 0.00 C ATOM 0 H LEU A 66 5.596 -8.727 1.666 1.00 0.00 H new ATOM 0 HA LEU A 66 5.098 -7.169 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.170 -7.190 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.905 -8.163 2.179 1.00 0.00 H new ATOM 0 HG LEU A 66 3.801 -5.468 3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.725 -4.529 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.832 -5.148 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.400 -6.096 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.651 -5.576 4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.329 -7.177 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.707 -6.952 4.940 1.00 0.00 H new ATOM 1018 N GLU A 67 3.939 -10.233 3.925 1.00 0.00 N ATOM 1019 CA GLU A 67 3.379 -11.266 4.768 1.00 0.00 C ATOM 1020 C GLU A 67 4.318 -11.447 5.958 1.00 0.00 C ATOM 1021 O GLU A 67 3.888 -11.504 7.116 1.00 0.00 O ATOM 1022 CB GLU A 67 3.220 -12.570 3.954 1.00 0.00 C ATOM 1023 CG GLU A 67 3.412 -13.794 4.852 1.00 0.00 C ATOM 1024 CD GLU A 67 2.917 -15.056 4.152 1.00 0.00 C ATOM 1025 OE1 GLU A 67 2.877 -15.059 2.934 1.00 0.00 O ATOM 1026 OE2 GLU A 67 2.589 -16.003 4.849 1.00 0.00 O ATOM 0 H GLU A 67 4.244 -10.546 3.003 1.00 0.00 H new ATOM 0 HA GLU A 67 2.388 -10.993 5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.232 -12.600 3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.948 -12.590 3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.466 -13.903 5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.870 -13.654 5.787 1.00 0.00 H new ATOM 1033 N GLY A 68 5.608 -11.510 5.658 1.00 0.00 N ATOM 1034 CA GLY A 68 6.602 -11.656 6.698 1.00 0.00 C ATOM 1035 C GLY A 68 6.498 -10.475 7.649 1.00 0.00 C ATOM 1036 O GLY A 68 6.519 -10.644 8.865 1.00 0.00 O ATOM 0 H GLY A 68 5.983 -11.462 4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.447 -12.590 7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.600 -11.702 6.262 1.00 0.00 H new ATOM 1040 N TRP A 69 6.356 -9.271 7.083 1.00 0.00 N ATOM 1041 CA TRP A 69 6.232 -8.070 7.905 1.00 0.00 C ATOM 1042 C TRP A 69 5.275 -8.350 9.063 1.00 0.00 C ATOM 1043 O TRP A 69 5.631 -8.187 10.221 1.00 0.00 O ATOM 1044 CB TRP A 69 5.699 -6.888 7.072 1.00 0.00 C ATOM 1045 CG TRP A 69 6.798 -6.082 6.442 1.00 0.00 C ATOM 1046 CD1 TRP A 69 8.087 -6.465 6.231 1.00 0.00 C ATOM 1047 CD2 TRP A 69 6.688 -4.735 5.920 1.00 0.00 C ATOM 1048 NE1 TRP A 69 8.763 -5.423 5.618 1.00 0.00 N ATOM 1049 CE2 TRP A 69 7.939 -4.335 5.403 1.00 0.00 C ATOM 1050 CE3 TRP A 69 5.619 -3.832 5.853 1.00 0.00 C ATOM 1051 CZ2 TRP A 69 8.121 -3.074 4.834 1.00 0.00 C ATOM 1052 CZ3 TRP A 69 5.791 -2.569 5.285 1.00 0.00 C ATOM 1053 CH2 TRP A 69 7.042 -2.185 4.774 1.00 0.00 C ATOM 0 H TRP A 69 6.325 -9.107 6.077 1.00 0.00 H new ATOM 0 HA TRP A 69 7.217 -7.805 8.289 1.00 0.00 H new ATOM 0 HB2 TRP A 69 5.039 -7.267 6.292 1.00 0.00 H new ATOM 0 HB3 TRP A 69 5.099 -6.240 7.711 1.00 0.00 H new ATOM 0 HD1 TRP A 69 8.512 -7.422 6.497 1.00 0.00 H new ATOM 0 HE1 TRP A 69 9.749 -5.455 5.357 1.00 0.00 H new ATOM 0 HE3 TRP A 69 4.653 -4.116 6.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 9.086 -2.787 4.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.958 -1.883 5.238 1.00 0.00 H new ATOM 0 HH2 TRP A 69 7.171 -1.206 4.336 1.00 0.00 H new ATOM 1064 N ARG A 70 4.066 -8.799 8.734 1.00 0.00 N ATOM 1065 CA ARG A 70 3.066 -9.099 9.764 1.00 0.00 C ATOM 1066 C ARG A 70 3.588 -10.099 10.780 1.00 0.00 C ATOM 1067 O ARG A 70 3.346 -9.961 11.979 1.00 0.00 O ATOM 1068 CB ARG A 70 1.827 -9.691 9.111 1.00 0.00 C ATOM 1069 CG ARG A 70 1.094 -8.610 8.315 1.00 0.00 C ATOM 1070 CD ARG A 70 -0.075 -9.249 7.579 1.00 0.00 C ATOM 1071 NE ARG A 70 0.423 -10.208 6.599 1.00 0.00 N ATOM 1072 CZ ARG A 70 -0.420 -10.991 5.927 1.00 0.00 C ATOM 1073 NH1 ARG A 70 -1.706 -10.871 6.114 1.00 0.00 N ATOM 1074 NH2 ARG A 70 0.031 -11.877 5.082 1.00 0.00 N ATOM 0 H ARG A 70 3.755 -8.962 7.777 1.00 0.00 H new ATOM 0 HA ARG A 70 2.833 -8.165 10.276 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.109 -10.512 8.452 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.166 -10.106 9.872 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.736 -7.827 8.983 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.774 -8.138 7.606 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.734 -9.749 8.289 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.667 -8.481 7.081 1.00 0.00 H new ATOM 0 HE ARG A 70 1.426 -10.280 6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.063 -10.179 6.773 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.354 -11.469 5.601 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.035 -11.974 4.932 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.621 -12.473 4.571 1.00 0.00 H new ATOM 1088 N LYS A 71 4.284 -11.113 10.298 1.00 0.00 N ATOM 1089 CA LYS A 71 4.815 -12.146 11.197 1.00 0.00 C ATOM 1090 C LYS A 71 6.137 -11.714 11.811 1.00 0.00 C ATOM 1091 O LYS A 71 6.674 -12.387 12.691 1.00 0.00 O ATOM 1092 CB LYS A 71 5.032 -13.477 10.464 1.00 0.00 C ATOM 1093 CG LYS A 71 3.730 -14.046 9.841 1.00 0.00 C ATOM 1094 CD LYS A 71 2.562 -13.942 10.831 1.00 0.00 C ATOM 1095 CE LYS A 71 1.394 -14.829 10.377 1.00 0.00 C ATOM 1096 NZ LYS A 71 0.312 -14.776 11.399 1.00 0.00 N ATOM 0 H LYS A 71 4.497 -11.251 9.310 1.00 0.00 H new ATOM 0 HA LYS A 71 4.072 -12.284 11.982 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.773 -13.335 9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.443 -14.207 11.162 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.489 -13.500 8.929 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.882 -15.088 9.559 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.892 -14.245 11.825 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.232 -12.906 10.906 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.017 -14.488 9.413 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.733 -15.856 10.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.482 -15.376 11.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.678 -15.120 12.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.016 -13.795 11.506 1.00 0.00 H new ATOM 1110 N ARG A 72 6.663 -10.600 11.338 1.00 0.00 N ATOM 1111 CA ARG A 72 7.935 -10.079 11.831 1.00 0.00 C ATOM 1112 C ARG A 72 7.750 -9.160 13.025 1.00 0.00 C ATOM 1113 O ARG A 72 8.611 -9.065 13.899 1.00 0.00 O ATOM 1114 CB ARG A 72 8.600 -9.322 10.688 1.00 0.00 C ATOM 1115 CG ARG A 72 9.338 -10.307 9.779 1.00 0.00 C ATOM 1116 CD ARG A 72 9.881 -9.568 8.564 1.00 0.00 C ATOM 1117 NE ARG A 72 10.585 -10.491 7.687 1.00 0.00 N ATOM 1118 CZ ARG A 72 11.869 -10.786 7.877 1.00 0.00 C ATOM 1119 NH1 ARG A 72 12.518 -10.258 8.879 1.00 0.00 N ATOM 1120 NH2 ARG A 72 12.478 -11.607 7.065 1.00 0.00 N ATOM 0 H ARG A 72 6.231 -10.032 10.609 1.00 0.00 H new ATOM 0 HA ARG A 72 8.555 -10.910 12.167 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.850 -8.776 10.116 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.298 -8.585 11.085 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.154 -10.780 10.325 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.663 -11.102 9.463 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.063 -9.093 8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.555 -8.773 8.884 1.00 0.00 H new ATOM 0 HE ARG A 72 10.084 -10.921 6.910 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.041 -9.620 9.516 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.502 -10.484 9.025 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.970 -12.023 6.284 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.462 -11.833 7.211 1.00 0.00 H new ATOM 1134 N GLY A 73 6.645 -8.459 13.020 1.00 0.00 N ATOM 1135 CA GLY A 73 6.340 -7.486 14.081 1.00 0.00 C ATOM 1136 C GLY A 73 6.367 -6.066 13.511 1.00 0.00 C ATOM 1137 O GLY A 73 6.054 -5.103 14.208 1.00 0.00 O ATOM 0 H GLY A 73 5.928 -8.532 12.298 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.360 -7.697 14.508 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.066 -7.577 14.889 1.00 0.00 H new ATOM 1141 N TRP A 74 6.757 -5.978 12.237 1.00 0.00 N ATOM 1142 CA TRP A 74 6.849 -4.718 11.487 1.00 0.00 C ATOM 1143 C TRP A 74 8.085 -3.903 11.824 1.00 0.00 C ATOM 1144 O TRP A 74 8.065 -2.983 12.642 1.00 0.00 O ATOM 1145 CB TRP A 74 5.559 -3.872 11.599 1.00 0.00 C ATOM 1146 CG TRP A 74 4.563 -4.470 10.667 1.00 0.00 C ATOM 1147 CD1 TRP A 74 4.281 -5.776 10.595 1.00 0.00 C ATOM 1148 CD2 TRP A 74 3.753 -3.822 9.665 1.00 0.00 C ATOM 1149 NE1 TRP A 74 3.404 -5.984 9.559 1.00 0.00 N ATOM 1150 CE2 TRP A 74 3.018 -4.807 8.973 1.00 0.00 C ATOM 1151 CE3 TRP A 74 3.596 -2.492 9.288 1.00 0.00 C ATOM 1152 CZ2 TRP A 74 2.153 -4.484 7.935 1.00 0.00 C ATOM 1153 CZ3 TRP A 74 2.727 -2.149 8.256 1.00 0.00 C ATOM 1154 CH2 TRP A 74 1.994 -3.150 7.569 1.00 0.00 C ATOM 0 H TRP A 74 7.023 -6.794 11.686 1.00 0.00 H new ATOM 0 HA TRP A 74 6.956 -5.011 10.443 1.00 0.00 H new ATOM 0 HB2 TRP A 74 5.182 -3.878 12.622 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.756 -2.832 11.338 1.00 0.00 H new ATOM 0 HD1 TRP A 74 4.678 -6.541 11.245 1.00 0.00 H new ATOM 0 HE1 TRP A 74 3.079 -6.904 9.261 1.00 0.00 H new ATOM 0 HE3 TRP A 74 4.152 -1.720 9.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 1.609 -5.260 7.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 2.610 -1.112 7.976 1.00 0.00 H new ATOM 0 HH2 TRP A 74 1.319 -2.880 6.770 1.00 0.00 H new ATOM 1165 N ARG A 75 9.149 -4.252 11.113 1.00 0.00 N ATOM 1166 CA ARG A 75 10.443 -3.590 11.210 1.00 0.00 C ATOM 1167 C ARG A 75 11.005 -3.511 9.798 1.00 0.00 C ATOM 1168 O ARG A 75 10.484 -4.158 8.890 1.00 0.00 O ATOM 1169 CB ARG A 75 11.416 -4.391 12.099 1.00 0.00 C ATOM 1170 CG ARG A 75 11.230 -4.036 13.585 1.00 0.00 C ATOM 1171 CD ARG A 75 10.031 -4.801 14.197 1.00 0.00 C ATOM 1172 NE ARG A 75 9.104 -3.856 14.800 1.00 0.00 N ATOM 1173 CZ ARG A 75 8.219 -4.247 15.712 1.00 0.00 C ATOM 1174 NH1 ARG A 75 8.157 -5.502 16.064 1.00 0.00 N ATOM 1175 NH2 ARG A 75 7.406 -3.377 16.247 1.00 0.00 N ATOM 0 H ARG A 75 9.136 -5.018 10.440 1.00 0.00 H new ATOM 0 HA ARG A 75 10.323 -2.603 11.657 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.251 -5.459 11.954 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.443 -4.183 11.798 1.00 0.00 H new ATOM 0 HG2 ARG A 75 12.139 -4.278 14.136 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.071 -2.963 13.688 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.524 -5.380 13.425 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.383 -5.509 14.947 1.00 0.00 H new ATOM 0 HE ARG A 75 9.133 -2.876 14.518 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.787 -6.182 15.640 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.478 -5.803 16.764 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.450 -2.398 15.965 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.727 -3.677 16.947 1.00 0.00 H new ATOM 1189 N THR A 76 12.071 -2.751 9.601 1.00 0.00 N ATOM 1190 CA THR A 76 12.662 -2.659 8.278 1.00 0.00 C ATOM 1191 C THR A 76 13.628 -3.796 8.080 1.00 0.00 C ATOM 1192 O THR A 76 13.976 -4.508 9.021 1.00 0.00 O ATOM 1193 CB THR A 76 13.388 -1.337 8.088 1.00 0.00 C ATOM 1194 OG1 THR A 76 14.478 -1.274 8.990 1.00 0.00 O ATOM 1195 CG2 THR A 76 12.411 -0.182 8.330 1.00 0.00 C ATOM 0 H THR A 76 12.535 -2.201 10.323 1.00 0.00 H new ATOM 0 HA THR A 76 11.861 -2.716 7.541 1.00 0.00 H new ATOM 0 HB THR A 76 13.770 -1.258 7.070 1.00 0.00 H new ATOM 0 HG1 THR A 76 14.199 -1.617 9.865 1.00 0.00 H new ATOM 0 HG21 THR A 76 12.929 0.767 8.194 1.00 0.00 H new ATOM 0 HG22 THR A 76 11.585 -0.249 7.621 1.00 0.00 H new ATOM 0 HG23 THR A 76 12.022 -0.241 9.347 1.00 0.00 H new ATOM 1203 N ALA A 77 14.042 -3.974 6.852 1.00 0.00 N ATOM 1204 CA ALA A 77 14.956 -5.048 6.541 1.00 0.00 C ATOM 1205 C ALA A 77 16.192 -4.974 7.425 1.00 0.00 C ATOM 1206 O ALA A 77 16.968 -5.925 7.497 1.00 0.00 O ATOM 1207 CB ALA A 77 15.346 -4.999 5.059 1.00 0.00 C ATOM 0 H ALA A 77 13.766 -3.397 6.057 1.00 0.00 H new ATOM 0 HA ALA A 77 14.457 -5.997 6.737 1.00 0.00 H new ATOM 0 HB1 ALA A 77 16.035 -5.814 4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.452 -5.102 4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.828 -4.046 4.841 1.00 0.00 H new ATOM 1213 N GLU A 78 16.371 -3.846 8.102 1.00 0.00 N ATOM 1214 CA GLU A 78 17.517 -3.676 8.984 1.00 0.00 C ATOM 1215 C GLU A 78 17.179 -4.130 10.397 1.00 0.00 C ATOM 1216 O GLU A 78 17.968 -4.817 11.047 1.00 0.00 O ATOM 1217 CB GLU A 78 17.934 -2.208 9.013 1.00 0.00 C ATOM 1218 CG GLU A 78 19.351 -2.088 9.556 1.00 0.00 C ATOM 1219 CD GLU A 78 19.804 -0.632 9.521 1.00 0.00 C ATOM 1220 OE1 GLU A 78 19.144 0.158 8.866 1.00 0.00 O ATOM 1221 OE2 GLU A 78 20.809 -0.329 10.143 1.00 0.00 O ATOM 0 H GLU A 78 15.743 -3.043 8.058 1.00 0.00 H new ATOM 0 HA GLU A 78 18.337 -4.285 8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 78 17.882 -1.785 8.010 1.00 0.00 H new ATOM 0 HB3 GLU A 78 17.246 -1.637 9.636 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.390 -2.465 10.578 1.00 0.00 H new ATOM 0 HG3 GLU A 78 20.029 -2.702 8.964 1.00 0.00 H new ATOM 1228 N GLY A 79 15.996 -3.742 10.867 1.00 0.00 N ATOM 1229 CA GLY A 79 15.547 -4.111 12.207 1.00 0.00 C ATOM 1230 C GLY A 79 14.977 -2.914 12.951 1.00 0.00 C ATOM 1231 O GLY A 79 14.616 -3.018 14.124 1.00 0.00 O ATOM 0 H GLY A 79 15.332 -3.173 10.341 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.790 -4.892 12.136 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.382 -4.527 12.770 1.00 0.00 H new ATOM 1235 N LYS A 80 14.875 -1.781 12.263 1.00 0.00 N ATOM 1236 CA LYS A 80 14.316 -0.570 12.872 1.00 0.00 C ATOM 1237 C LYS A 80 12.852 -0.435 12.429 1.00 0.00 C ATOM 1238 O LYS A 80 12.507 -0.853 11.325 1.00 0.00 O ATOM 1239 CB LYS A 80 15.151 0.677 12.495 1.00 0.00 C ATOM 1240 CG LYS A 80 14.972 1.058 10.999 1.00 0.00 C ATOM 1241 CD LYS A 80 16.343 1.170 10.282 1.00 0.00 C ATOM 1242 CE LYS A 80 16.190 1.020 8.751 1.00 0.00 C ATOM 1243 NZ LYS A 80 16.944 2.112 8.077 1.00 0.00 N ATOM 0 H LYS A 80 15.168 -1.672 11.292 1.00 0.00 H new ATOM 0 HA LYS A 80 14.353 -0.648 13.959 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.854 1.517 13.123 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.204 0.484 12.698 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.358 0.308 10.501 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.440 2.007 10.923 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.798 2.133 10.511 1.00 0.00 H new ATOM 0 HD3 LYS A 80 17.017 0.401 10.659 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.566 0.049 8.429 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.137 1.062 8.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.635 2.187 7.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.762 3.012 8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 17.962 1.901 8.107 1.00 0.00 H new ATOM 1257 N PRO A 81 11.980 0.094 13.254 1.00 0.00 N ATOM 1258 CA PRO A 81 10.540 0.216 12.900 1.00 0.00 C ATOM 1259 C PRO A 81 10.322 0.624 11.442 1.00 0.00 C ATOM 1260 O PRO A 81 11.214 1.163 10.788 1.00 0.00 O ATOM 1261 CB PRO A 81 9.997 1.281 13.864 1.00 0.00 C ATOM 1262 CG PRO A 81 10.957 1.326 15.028 1.00 0.00 C ATOM 1263 CD PRO A 81 12.262 0.625 14.593 1.00 0.00 C ATOM 0 HA PRO A 81 10.026 -0.741 12.995 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.933 2.253 13.374 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.991 1.026 14.199 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.156 2.357 15.319 1.00 0.00 H new ATOM 0 HG3 PRO A 81 10.527 0.827 15.897 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.098 1.324 14.572 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.531 -0.173 15.285 1.00 0.00 H new ATOM 1271 N VAL A 82 9.118 0.343 10.953 1.00 0.00 N ATOM 1272 CA VAL A 82 8.749 0.659 9.568 1.00 0.00 C ATOM 1273 C VAL A 82 8.140 2.052 9.507 1.00 0.00 C ATOM 1274 O VAL A 82 7.314 2.402 10.334 1.00 0.00 O ATOM 1275 CB VAL A 82 7.724 -0.379 9.034 1.00 0.00 C ATOM 1276 CG1 VAL A 82 7.949 -0.673 7.546 1.00 0.00 C ATOM 1277 CG2 VAL A 82 7.870 -1.693 9.800 1.00 0.00 C ATOM 0 H VAL A 82 8.377 -0.104 11.493 1.00 0.00 H new ATOM 0 HA VAL A 82 9.645 0.624 8.948 1.00 0.00 H new ATOM 0 HB VAL A 82 6.729 0.044 9.172 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.215 -1.403 7.204 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.839 0.247 6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.953 -1.073 7.402 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.149 -2.417 9.421 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.879 -2.082 9.666 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.686 -1.518 10.860 1.00 0.00 H new ATOM 1287 N LYS A 83 8.525 2.834 8.517 1.00 0.00 N ATOM 1288 CA LYS A 83 7.980 4.157 8.365 1.00 0.00 C ATOM 1289 C LYS A 83 6.648 4.043 7.643 1.00 0.00 C ATOM 1290 O LYS A 83 6.465 3.135 6.835 1.00 0.00 O ATOM 1291 CB LYS A 83 8.946 5.012 7.547 1.00 0.00 C ATOM 1292 CG LYS A 83 10.387 4.844 8.053 1.00 0.00 C ATOM 1293 CD LYS A 83 10.495 5.253 9.523 1.00 0.00 C ATOM 1294 CE LYS A 83 11.958 5.188 9.961 1.00 0.00 C ATOM 1295 NZ LYS A 83 12.066 5.609 11.387 1.00 0.00 N ATOM 0 H LYS A 83 9.212 2.571 7.810 1.00 0.00 H new ATOM 0 HA LYS A 83 7.835 4.625 9.339 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.889 4.728 6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.654 6.060 7.610 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.701 3.807 7.935 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.062 5.452 7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.107 6.262 9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.889 4.591 10.142 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.341 4.175 9.839 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.567 5.837 9.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.061 5.566 11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.716 6.583 11.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.497 4.973 11.981 1.00 0.00 H new ATOM 1309 N ASN A 84 5.722 4.948 7.954 1.00 0.00 N ATOM 1310 CA ASN A 84 4.400 4.936 7.338 1.00 0.00 C ATOM 1311 C ASN A 84 3.599 3.731 7.817 1.00 0.00 C ATOM 1312 O ASN A 84 2.526 3.437 7.290 1.00 0.00 O ATOM 1313 CB ASN A 84 4.522 4.897 5.804 1.00 0.00 C ATOM 1314 CG ASN A 84 5.449 6.000 5.311 1.00 0.00 C ATOM 1315 OD1 ASN A 84 5.249 6.540 4.224 1.00 0.00 O ATOM 1316 ND2 ASN A 84 6.466 6.360 6.042 1.00 0.00 N ATOM 0 H ASN A 84 5.865 5.699 8.630 1.00 0.00 H new ATOM 0 HA ASN A 84 3.880 5.848 7.632 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.904 3.926 5.489 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.537 5.014 5.352 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.097 7.090 5.713 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.631 5.911 6.943 1.00 0.00 H new ATOM 1323 N ARG A 85 4.136 3.028 8.808 1.00 0.00 N ATOM 1324 CA ARG A 85 3.463 1.835 9.339 1.00 0.00 C ATOM 1325 C ARG A 85 2.000 2.122 9.629 1.00 0.00 C ATOM 1326 O ARG A 85 1.157 1.229 9.621 1.00 0.00 O ATOM 1327 CB ARG A 85 4.174 1.327 10.612 1.00 0.00 C ATOM 1328 CG ARG A 85 3.917 2.222 11.860 1.00 0.00 C ATOM 1329 CD ARG A 85 5.037 3.246 12.029 1.00 0.00 C ATOM 1330 NE ARG A 85 4.838 4.001 13.266 1.00 0.00 N ATOM 1331 CZ ARG A 85 5.693 3.953 14.296 1.00 0.00 C ATOM 1332 NH1 ARG A 85 6.769 3.212 14.249 1.00 0.00 N ATOM 1333 NH2 ARG A 85 5.441 4.652 15.368 1.00 0.00 N ATOM 0 H ARG A 85 5.023 3.254 9.259 1.00 0.00 H new ATOM 0 HA ARG A 85 3.515 1.055 8.580 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.839 0.312 10.826 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.247 1.276 10.425 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.961 2.735 11.755 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.849 1.600 12.752 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.003 2.741 12.052 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.053 3.925 11.177 1.00 0.00 H new ATOM 0 HE ARG A 85 4.010 4.591 13.348 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.970 2.657 13.417 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.408 3.189 15.044 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.600 5.227 15.416 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.085 4.623 16.159 1.00 0.00 H new ATOM 1347 N ASP A 86 1.714 3.381 9.888 1.00 0.00 N ATOM 1348 CA ASP A 86 0.357 3.799 10.188 1.00 0.00 C ATOM 1349 C ASP A 86 -0.459 3.865 8.919 1.00 0.00 C ATOM 1350 O ASP A 86 -1.629 3.476 8.892 1.00 0.00 O ATOM 1351 CB ASP A 86 0.360 5.168 10.868 1.00 0.00 C ATOM 1352 CG ASP A 86 -1.072 5.628 11.115 1.00 0.00 C ATOM 1353 OD1 ASP A 86 -1.951 4.782 11.137 1.00 0.00 O ATOM 1354 OD2 ASP A 86 -1.272 6.823 11.270 1.00 0.00 O ATOM 0 H ASP A 86 2.402 4.134 9.897 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.088 3.068 10.864 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.902 5.113 11.812 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.881 5.893 10.243 1.00 0.00 H new ATOM 1359 N LEU A 87 0.167 4.345 7.855 1.00 0.00 N ATOM 1360 CA LEU A 87 -0.518 4.442 6.593 1.00 0.00 C ATOM 1361 C LEU A 87 -0.737 3.052 6.069 1.00 0.00 C ATOM 1362 O LEU A 87 -1.812 2.725 5.590 1.00 0.00 O ATOM 1363 CB LEU A 87 0.308 5.257 5.595 1.00 0.00 C ATOM 1364 CG LEU A 87 0.750 6.587 6.234 1.00 0.00 C ATOM 1365 CD1 LEU A 87 1.497 7.452 5.205 1.00 0.00 C ATOM 1366 CD2 LEU A 87 -0.474 7.357 6.749 1.00 0.00 C ATOM 0 H LEU A 87 1.135 4.667 7.847 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.474 4.948 6.729 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.183 4.686 5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.281 5.453 4.699 1.00 0.00 H new ATOM 0 HG LEU A 87 1.416 6.364 7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.803 8.389 5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.379 6.917 4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.839 7.664 4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.151 8.296 7.199 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.148 7.566 5.918 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.994 6.757 7.496 1.00 0.00 H new ATOM 1378 N TRP A 88 0.305 2.244 6.192 1.00 0.00 N ATOM 1379 CA TRP A 88 0.277 0.870 5.749 1.00 0.00 C ATOM 1380 C TRP A 88 -0.729 0.035 6.538 1.00 0.00 C ATOM 1381 O TRP A 88 -1.670 -0.515 5.970 1.00 0.00 O ATOM 1382 CB TRP A 88 1.669 0.317 5.970 1.00 0.00 C ATOM 1383 CG TRP A 88 2.579 0.753 4.891 1.00 0.00 C ATOM 1384 CD1 TRP A 88 3.643 1.541 5.072 1.00 0.00 C ATOM 1385 CD2 TRP A 88 2.527 0.434 3.482 1.00 0.00 C ATOM 1386 NE1 TRP A 88 4.249 1.756 3.857 1.00 0.00 N ATOM 1387 CE2 TRP A 88 3.594 1.088 2.841 1.00 0.00 C ATOM 1388 CE3 TRP A 88 1.657 -0.347 2.710 1.00 0.00 C ATOM 1389 CZ2 TRP A 88 3.797 0.975 1.473 1.00 0.00 C ATOM 1390 CZ3 TRP A 88 1.856 -0.470 1.328 1.00 0.00 C ATOM 1391 CH2 TRP A 88 2.924 0.192 0.709 1.00 0.00 C ATOM 0 H TRP A 88 1.193 2.529 6.604 1.00 0.00 H new ATOM 0 HA TRP A 88 -0.025 0.827 4.703 1.00 0.00 H new ATOM 0 HB2 TRP A 88 2.051 0.654 6.934 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.632 -0.772 6.004 1.00 0.00 H new ATOM 0 HD1 TRP A 88 3.973 1.943 6.018 1.00 0.00 H new ATOM 0 HE1 TRP A 88 5.078 2.336 3.723 1.00 0.00 H new ATOM 0 HE3 TRP A 88 0.830 -0.856 3.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 4.622 1.487 1.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.184 -1.077 0.739 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.074 0.098 -0.356 1.00 0.00 H new ATOM 1402 N GLU A 89 -0.510 -0.075 7.843 1.00 0.00 N ATOM 1403 CA GLU A 89 -1.404 -0.876 8.679 1.00 0.00 C ATOM 1404 C GLU A 89 -2.856 -0.474 8.440 1.00 0.00 C ATOM 1405 O GLU A 89 -3.772 -1.294 8.545 1.00 0.00 O ATOM 1406 CB GLU A 89 -1.074 -0.682 10.165 1.00 0.00 C ATOM 1407 CG GLU A 89 0.231 -1.404 10.516 1.00 0.00 C ATOM 1408 CD GLU A 89 0.609 -1.114 11.965 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -0.140 -0.411 12.623 1.00 0.00 O ATOM 1410 OE2 GLU A 89 1.641 -1.601 12.397 1.00 0.00 O ATOM 0 H GLU A 89 0.262 0.369 8.340 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.264 -1.923 8.411 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.982 0.381 10.389 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.888 -1.067 10.779 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.114 -2.478 10.369 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.029 -1.076 9.850 1.00 0.00 H new ATOM 1417 N ALA A 90 -3.051 0.794 8.099 1.00 0.00 N ATOM 1418 CA ALA A 90 -4.396 1.317 7.842 1.00 0.00 C ATOM 1419 C ALA A 90 -4.820 1.002 6.420 1.00 0.00 C ATOM 1420 O ALA A 90 -5.957 0.598 6.169 1.00 0.00 O ATOM 1421 CB ALA A 90 -4.425 2.831 8.070 1.00 0.00 C ATOM 0 H ALA A 90 -2.303 1.479 7.993 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.092 0.840 8.532 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.429 3.209 7.876 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.148 3.049 9.101 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.719 3.314 7.395 1.00 0.00 H new ATOM 1427 N LEU A 91 -3.890 1.162 5.498 1.00 0.00 N ATOM 1428 CA LEU A 91 -4.143 0.874 4.111 1.00 0.00 C ATOM 1429 C LEU A 91 -4.454 -0.623 3.951 1.00 0.00 C ATOM 1430 O LEU A 91 -5.358 -1.003 3.217 1.00 0.00 O ATOM 1431 CB LEU A 91 -2.911 1.343 3.297 1.00 0.00 C ATOM 1432 CG LEU A 91 -2.632 0.424 2.114 1.00 0.00 C ATOM 1433 CD1 LEU A 91 -1.762 1.160 1.082 1.00 0.00 C ATOM 1434 CD2 LEU A 91 -1.921 -0.883 2.581 1.00 0.00 C ATOM 0 H LEU A 91 -2.945 1.494 5.694 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.014 1.408 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.078 2.358 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.036 1.375 3.947 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.582 0.148 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.564 0.501 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.286 2.050 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.819 1.452 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.733 -1.523 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.975 -0.631 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.558 -1.410 3.291 1.00 0.00 H new ATOM 1446 N LEU A 92 -3.715 -1.455 4.668 1.00 0.00 N ATOM 1447 CA LEU A 92 -3.933 -2.897 4.622 1.00 0.00 C ATOM 1448 C LEU A 92 -5.314 -3.220 5.164 1.00 0.00 C ATOM 1449 O LEU A 92 -6.067 -3.982 4.559 1.00 0.00 O ATOM 1450 CB LEU A 92 -2.866 -3.604 5.455 1.00 0.00 C ATOM 1451 CG LEU A 92 -3.012 -5.138 5.325 1.00 0.00 C ATOM 1452 CD1 LEU A 92 -2.410 -5.620 3.997 1.00 0.00 C ATOM 1453 CD2 LEU A 92 -2.304 -5.836 6.499 1.00 0.00 C ATOM 0 H LEU A 92 -2.960 -1.160 5.288 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.865 -3.242 3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.874 -3.297 5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.958 -3.311 6.501 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.072 -5.389 5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.520 -6.702 3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.930 -5.142 3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.352 -5.359 3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.412 -6.916 6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.246 -5.575 6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.752 -5.512 7.438 1.00 0.00 H new ATOM 1465 N LEU A 93 -5.651 -2.613 6.289 1.00 0.00 N ATOM 1466 CA LEU A 93 -6.963 -2.831 6.874 1.00 0.00 C ATOM 1467 C LEU A 93 -8.019 -2.306 5.923 1.00 0.00 C ATOM 1468 O LEU A 93 -9.080 -2.905 5.745 1.00 0.00 O ATOM 1469 CB LEU A 93 -7.078 -2.102 8.220 1.00 0.00 C ATOM 1470 CG LEU A 93 -6.442 -2.936 9.347 1.00 0.00 C ATOM 1471 CD1 LEU A 93 -6.059 -2.017 10.511 1.00 0.00 C ATOM 1472 CD2 LEU A 93 -7.457 -3.965 9.861 1.00 0.00 C ATOM 0 H LEU A 93 -5.047 -1.976 6.808 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.107 -3.898 7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.586 -1.132 8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.127 -1.913 8.448 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.558 -3.441 8.958 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.609 -2.608 11.308 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.344 -1.270 10.165 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.951 -1.518 10.889 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.005 -4.555 10.659 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.336 -3.448 10.245 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.752 -4.625 9.045 1.00 0.00 H new ATOM 1484 N ALA A 94 -7.707 -1.175 5.321 1.00 0.00 N ATOM 1485 CA ALA A 94 -8.620 -0.541 4.381 1.00 0.00 C ATOM 1486 C ALA A 94 -8.611 -1.258 3.033 1.00 0.00 C ATOM 1487 O ALA A 94 -9.504 -1.045 2.221 1.00 0.00 O ATOM 1488 CB ALA A 94 -8.250 0.931 4.189 1.00 0.00 C ATOM 0 H ALA A 94 -6.830 -0.674 5.464 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.625 -0.607 4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.942 1.391 3.483 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.310 1.449 5.146 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.234 1.003 3.800 1.00 0.00 H new ATOM 1494 N MET A 95 -7.614 -2.117 2.799 1.00 0.00 N ATOM 1495 CA MET A 95 -7.533 -2.864 1.529 1.00 0.00 C ATOM 1496 C MET A 95 -8.147 -4.243 1.651 1.00 0.00 C ATOM 1497 O MET A 95 -8.083 -5.046 0.722 1.00 0.00 O ATOM 1498 CB MET A 95 -6.076 -3.007 1.069 1.00 0.00 C ATOM 1499 CG MET A 95 -5.639 -1.730 0.368 1.00 0.00 C ATOM 1500 SD MET A 95 -3.847 -1.741 0.007 1.00 0.00 S ATOM 1501 CE MET A 95 -3.543 -3.505 -0.265 1.00 0.00 C ATOM 0 H MET A 95 -6.860 -2.314 3.457 1.00 0.00 H new ATOM 0 HA MET A 95 -8.096 -2.292 0.791 1.00 0.00 H new ATOM 0 HB2 MET A 95 -5.431 -3.204 1.925 1.00 0.00 H new ATOM 0 HB3 MET A 95 -5.978 -3.857 0.394 1.00 0.00 H new ATOM 0 HG2 MET A 95 -6.197 -1.615 -0.561 1.00 0.00 H new ATOM 0 HG3 MET A 95 -5.880 -0.870 0.993 1.00 0.00 H new ATOM 0 HE1 MET A 95 -2.567 -3.638 -0.732 1.00 0.00 H new ATOM 0 HE2 MET A 95 -3.563 -4.029 0.690 1.00 0.00 H new ATOM 0 HE3 MET A 95 -4.316 -3.911 -0.917 1.00 0.00 H new ATOM 1511 N ALA A 96 -8.739 -4.510 2.785 1.00 0.00 N ATOM 1512 CA ALA A 96 -9.364 -5.810 2.997 1.00 0.00 C ATOM 1513 C ALA A 96 -10.673 -5.896 2.197 1.00 0.00 C ATOM 1514 O ALA A 96 -10.882 -6.855 1.454 1.00 0.00 O ATOM 1515 CB ALA A 96 -9.597 -6.067 4.507 1.00 0.00 C ATOM 0 H ALA A 96 -8.807 -3.863 3.571 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.695 -6.591 2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -10.064 -7.042 4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.642 -6.046 5.031 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.249 -5.293 4.911 1.00 0.00 H new ATOM 1521 N PRO A 97 -11.552 -4.926 2.329 1.00 0.00 N ATOM 1522 CA PRO A 97 -12.860 -4.917 1.593 1.00 0.00 C ATOM 1523 C PRO A 97 -12.698 -4.870 0.064 1.00 0.00 C ATOM 1524 O PRO A 97 -13.501 -5.452 -0.666 1.00 0.00 O ATOM 1525 CB PRO A 97 -13.562 -3.642 2.109 1.00 0.00 C ATOM 1526 CG PRO A 97 -12.873 -3.315 3.392 1.00 0.00 C ATOM 1527 CD PRO A 97 -11.423 -3.732 3.183 1.00 0.00 C ATOM 0 HA PRO A 97 -13.422 -5.833 1.775 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.472 -2.825 1.393 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.627 -3.813 2.265 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.948 -2.252 3.620 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.321 -3.852 4.228 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.842 -2.948 2.698 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.927 -3.960 4.126 1.00 0.00 H new ATOM 1535 N HIS A 98 -11.682 -4.148 -0.415 1.00 0.00 N ATOM 1536 CA HIS A 98 -11.461 -4.006 -1.859 1.00 0.00 C ATOM 1537 C HIS A 98 -10.546 -5.091 -2.409 1.00 0.00 C ATOM 1538 O HIS A 98 -9.855 -5.785 -1.662 1.00 0.00 O ATOM 1539 CB HIS A 98 -10.826 -2.649 -2.131 1.00 0.00 C ATOM 1540 CG HIS A 98 -11.621 -1.599 -1.413 1.00 0.00 C ATOM 1541 ND1 HIS A 98 -12.937 -1.326 -1.735 1.00 0.00 N ATOM 1542 CD2 HIS A 98 -11.316 -0.781 -0.360 1.00 0.00 C ATOM 1543 CE1 HIS A 98 -13.374 -0.385 -0.884 1.00 0.00 C ATOM 1544 NE2 HIS A 98 -12.425 -0.014 -0.024 1.00 0.00 N ATOM 0 H HIS A 98 -11.005 -3.656 0.168 1.00 0.00 H new ATOM 0 HA HIS A 98 -12.428 -4.097 -2.354 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -9.791 -2.640 -1.790 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -10.810 -2.446 -3.202 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.357 -0.738 0.136 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -14.374 0.023 -0.894 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -12.497 0.681 0.719 1.00 0.00 H new ATOM 1552 N ARG A 99 -10.539 -5.206 -3.738 1.00 0.00 N ATOM 1553 CA ARG A 99 -9.692 -6.188 -4.430 1.00 0.00 C ATOM 1554 C ARG A 99 -8.455 -5.487 -4.965 1.00 0.00 C ATOM 1555 O ARG A 99 -7.585 -6.111 -5.573 1.00 0.00 O ATOM 1556 CB ARG A 99 -10.468 -6.852 -5.586 1.00 0.00 C ATOM 1557 CG ARG A 99 -11.152 -8.134 -5.101 1.00 0.00 C ATOM 1558 CD ARG A 99 -12.164 -7.794 -4.008 1.00 0.00 C ATOM 1559 NE ARG A 99 -12.879 -8.998 -3.602 1.00 0.00 N ATOM 1560 CZ ARG A 99 -13.439 -9.097 -2.401 1.00 0.00 C ATOM 1561 NH1 ARG A 99 -13.354 -8.106 -1.557 1.00 0.00 N ATOM 1562 NH2 ARG A 99 -14.075 -10.186 -2.067 1.00 0.00 N ATOM 0 H ARG A 99 -11.109 -4.633 -4.360 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.397 -6.967 -3.727 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -11.214 -6.160 -5.977 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.787 -7.083 -6.405 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.653 -8.628 -5.933 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.408 -8.832 -4.717 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.653 -7.357 -3.150 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -12.869 -7.047 -4.373 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.951 -9.780 -4.253 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.857 -7.254 -1.819 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.784 -8.183 -0.635 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.142 -10.960 -2.727 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.505 -10.263 -1.145 1.00 0.00 H new ATOM 1576 N VAL A 100 -8.411 -4.187 -4.704 1.00 0.00 N ATOM 1577 CA VAL A 100 -7.308 -3.304 -5.109 1.00 0.00 C ATOM 1578 C VAL A 100 -6.155 -4.055 -5.777 1.00 0.00 C ATOM 1579 O VAL A 100 -5.508 -4.902 -5.163 1.00 0.00 O ATOM 1580 CB VAL A 100 -6.783 -2.612 -3.858 1.00 0.00 C ATOM 1581 CG1 VAL A 100 -6.138 -3.667 -2.936 1.00 0.00 C ATOM 1582 CG2 VAL A 100 -5.754 -1.543 -4.251 1.00 0.00 C ATOM 0 H VAL A 100 -9.150 -3.701 -4.196 1.00 0.00 H new ATOM 0 HA VAL A 100 -7.695 -2.596 -5.842 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.603 -2.125 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.759 -3.181 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.883 -4.412 -2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -5.315 -4.154 -3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.381 -1.050 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.924 -2.013 -4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.226 -0.805 -4.901 1.00 0.00 H new ATOM 1592 N ARG A 101 -5.918 -3.744 -7.042 1.00 0.00 N ATOM 1593 CA ARG A 101 -4.857 -4.389 -7.811 1.00 0.00 C ATOM 1594 C ARG A 101 -3.606 -3.508 -7.855 1.00 0.00 C ATOM 1595 O ARG A 101 -3.705 -2.279 -7.843 1.00 0.00 O ATOM 1596 CB ARG A 101 -5.371 -4.617 -9.228 1.00 0.00 C ATOM 1597 CG ARG A 101 -6.451 -5.696 -9.228 1.00 0.00 C ATOM 1598 CD ARG A 101 -7.154 -5.679 -10.582 1.00 0.00 C ATOM 1599 NE ARG A 101 -8.168 -6.729 -10.655 1.00 0.00 N ATOM 1600 CZ ARG A 101 -7.831 -8.002 -10.858 1.00 0.00 C ATOM 1601 NH1 ARG A 101 -6.576 -8.333 -10.986 1.00 0.00 N ATOM 1602 NH2 ARG A 101 -8.757 -8.920 -10.931 1.00 0.00 N ATOM 0 H ARG A 101 -6.448 -3.045 -7.563 1.00 0.00 H new ATOM 0 HA ARG A 101 -4.588 -5.335 -7.340 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -5.775 -3.688 -9.631 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.548 -4.915 -9.878 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -6.008 -6.675 -9.044 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -7.168 -5.514 -8.427 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.619 -4.706 -10.743 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.423 -5.818 -11.378 1.00 0.00 H new ATOM 0 HE ARG A 101 -9.152 -6.483 -10.549 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.852 -7.617 -10.931 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -6.319 -9.308 -11.141 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.739 -8.663 -10.833 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.498 -9.894 -11.086 1.00 0.00 H new ATOM 1616 N PHE A 102 -2.434 -4.141 -7.924 1.00 0.00 N ATOM 1617 CA PHE A 102 -1.160 -3.414 -7.988 1.00 0.00 C ATOM 1618 C PHE A 102 -0.554 -3.543 -9.389 1.00 0.00 C ATOM 1619 O PHE A 102 -0.392 -4.650 -9.902 1.00 0.00 O ATOM 1620 CB PHE A 102 -0.173 -3.990 -6.960 1.00 0.00 C ATOM 1621 CG PHE A 102 -0.417 -3.405 -5.578 1.00 0.00 C ATOM 1622 CD1 PHE A 102 -1.681 -3.503 -4.975 1.00 0.00 C ATOM 1623 CD2 PHE A 102 0.640 -2.795 -4.880 1.00 0.00 C ATOM 1624 CE1 PHE A 102 -1.880 -2.995 -3.681 1.00 0.00 C ATOM 1625 CE2 PHE A 102 0.434 -2.284 -3.597 1.00 0.00 C ATOM 1626 CZ PHE A 102 -0.820 -2.387 -2.996 1.00 0.00 C ATOM 0 H PHE A 102 -2.338 -5.156 -7.937 1.00 0.00 H new ATOM 0 HA PHE A 102 -1.347 -2.364 -7.765 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.275 -5.075 -6.922 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.849 -3.776 -7.273 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.499 -3.968 -5.505 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.615 -2.721 -5.338 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.851 -3.073 -3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.247 -1.808 -3.069 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.974 -1.997 -2.001 1.00 0.00 H new ATOM 1636 N HIS A 103 -0.217 -2.406 -9.996 1.00 0.00 N ATOM 1637 CA HIS A 103 0.377 -2.393 -11.337 1.00 0.00 C ATOM 1638 C HIS A 103 1.575 -1.445 -11.382 1.00 0.00 C ATOM 1639 O HIS A 103 1.437 -0.281 -11.740 1.00 0.00 O ATOM 1640 CB HIS A 103 -0.680 -1.936 -12.360 1.00 0.00 C ATOM 1641 CG HIS A 103 -1.508 -3.113 -12.814 1.00 0.00 C ATOM 1642 ND1 HIS A 103 -1.277 -3.755 -14.020 1.00 0.00 N ATOM 1643 CD2 HIS A 103 -2.564 -3.773 -12.233 1.00 0.00 C ATOM 1644 CE1 HIS A 103 -2.173 -4.754 -14.125 1.00 0.00 C ATOM 1645 NE2 HIS A 103 -2.981 -4.809 -13.063 1.00 0.00 N ATOM 0 H HIS A 103 -0.344 -1.482 -9.583 1.00 0.00 H new ATOM 0 HA HIS A 103 0.718 -3.399 -11.582 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -1.325 -1.179 -11.914 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.191 -1.474 -13.217 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -3.003 -3.525 -11.278 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.231 -5.429 -14.966 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.741 -5.469 -12.896 1.00 0.00 H new ATOM 1653 N PHE A 104 2.753 -1.936 -11.035 1.00 0.00 N ATOM 1654 CA PHE A 104 3.926 -1.084 -11.062 1.00 0.00 C ATOM 1655 C PHE A 104 4.225 -0.673 -12.502 1.00 0.00 C ATOM 1656 O PHE A 104 4.797 -1.439 -13.277 1.00 0.00 O ATOM 1657 CB PHE A 104 5.133 -1.809 -10.435 1.00 0.00 C ATOM 1658 CG PHE A 104 4.648 -2.941 -9.557 1.00 0.00 C ATOM 1659 CD1 PHE A 104 4.239 -2.685 -8.244 1.00 0.00 C ATOM 1660 CD2 PHE A 104 4.602 -4.245 -10.063 1.00 0.00 C ATOM 1661 CE1 PHE A 104 3.789 -3.733 -7.435 1.00 0.00 C ATOM 1662 CE2 PHE A 104 4.149 -5.294 -9.255 1.00 0.00 C ATOM 1663 CZ PHE A 104 3.743 -5.038 -7.941 1.00 0.00 C ATOM 0 H PHE A 104 2.920 -2.897 -10.738 1.00 0.00 H new ATOM 0 HA PHE A 104 3.733 -0.187 -10.474 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.784 -2.197 -11.219 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.725 -1.108 -9.847 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.271 -1.678 -7.855 1.00 0.00 H new ATOM 0 HD2 PHE A 104 4.916 -4.442 -11.077 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.477 -3.536 -6.420 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.113 -6.300 -9.646 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.394 -5.847 -7.317 1.00 0.00 H new ATOM 1673 N VAL A 105 3.815 0.544 -12.847 1.00 0.00 N ATOM 1674 CA VAL A 105 4.009 1.081 -14.180 1.00 0.00 C ATOM 1675 C VAL A 105 5.246 1.970 -14.200 1.00 0.00 C ATOM 1676 O VAL A 105 5.155 3.195 -14.193 1.00 0.00 O ATOM 1677 CB VAL A 105 2.747 1.876 -14.569 1.00 0.00 C ATOM 1678 CG1 VAL A 105 3.027 2.804 -15.770 1.00 0.00 C ATOM 1679 CG2 VAL A 105 1.625 0.888 -14.924 1.00 0.00 C ATOM 0 H VAL A 105 3.340 1.181 -12.208 1.00 0.00 H new ATOM 0 HA VAL A 105 4.164 0.278 -14.900 1.00 0.00 H new ATOM 0 HB VAL A 105 2.446 2.497 -13.725 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.121 3.353 -16.024 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.817 3.508 -15.509 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.341 2.207 -16.626 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.727 1.441 -15.201 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.940 0.265 -15.761 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.411 0.256 -14.062 1.00 0.00 H new ATOM 1689 N LYS A 106 6.405 1.330 -14.243 1.00 0.00 N ATOM 1690 CA LYS A 106 7.681 2.044 -14.286 1.00 0.00 C ATOM 1691 C LYS A 106 8.311 1.905 -15.669 1.00 0.00 C ATOM 1692 O LYS A 106 7.652 1.378 -16.550 1.00 0.00 O ATOM 1693 CB LYS A 106 8.641 1.475 -13.243 1.00 0.00 C ATOM 1694 CG LYS A 106 8.108 1.747 -11.839 1.00 0.00 C ATOM 1695 CD LYS A 106 9.084 1.186 -10.805 1.00 0.00 C ATOM 1696 CE LYS A 106 8.579 1.512 -9.398 1.00 0.00 C ATOM 1697 NZ LYS A 106 9.527 0.958 -8.389 1.00 0.00 N ATOM 0 H LYS A 106 6.492 0.314 -14.249 1.00 0.00 H new ATOM 0 HA LYS A 106 7.494 3.096 -14.071 1.00 0.00 H new ATOM 0 HB2 LYS A 106 8.761 0.402 -13.394 1.00 0.00 H new ATOM 0 HB3 LYS A 106 9.627 1.925 -13.360 1.00 0.00 H new ATOM 0 HG2 LYS A 106 7.979 2.819 -11.689 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.127 1.288 -11.716 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.180 0.107 -10.928 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.075 1.613 -10.955 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.488 2.591 -9.274 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.585 1.089 -9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.027 0.807 -7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.907 0.052 -8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.309 1.628 -8.243 1.00 0.00 H new