USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 766 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 35 THR OG1 : rot 180:sc= 0.354 USER MOD Set 1.2: A 50 SER OG : rot -14:sc= 0.308 USER MOD Single : A 10 THR OG1 : rot 82:sc= 0.00163 USER MOD Single : A 14 SER OG : rot 84:sc= 1.27 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 17 LYS NZ :NH3+ 151:sc=-0.00492 (180deg=-0.802) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -165:sc= 1.06 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= 0.497 (180deg=0.405) USER MOD Single : A 28 SER OG : rot -160:sc=-0.00198 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 2.13 K(o=2.1,f=-0.1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 166:sc= 1.67 (180deg=1.42) USER MOD Single : A 63 MET CE :methyl -104:sc= -3.25 (180deg=-8.41!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00393 USER MOD Single : A 71 TYR OH : rot 130:sc= 0.00622 USER MOD Single : A 73 ASN : amide:sc= -0.343 K(o=-0.34,f=-3.4!) USER MOD Single : A 76 CYS SG : rot 24:sc= 0.254 USER MOD Single : A 80 HIS : no HE2:sc= 0.189 K(o=0.19,f=-3!) USER MOD Single : A 81 THR OG1 : rot 142:sc= 0.0547 USER MOD Single : A 82 HIS : no HE2:sc= -0.163 X(o=-0.16,f=-0.51) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.0122 K(o=-0.012,f=-0.66) USER MOD Single : A 91 SER OG : rot -32:sc= 1.26 USER MOD Single : A 96 GLN : amide:sc= -0.0944 K(o=-0.094,f=-0.93) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 103 CYS SG : rot 107:sc= 1.48 USER MOD Single : A 106 TYR OH : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 9 9.295 -15.248 -4.421 1.00 0.00 N ATOM 86 CA PHE A 9 8.055 -14.500 -4.225 1.00 0.00 C ATOM 87 C PHE A 9 7.142 -15.099 -3.129 1.00 0.00 C ATOM 88 O PHE A 9 7.405 -16.162 -2.557 1.00 0.00 O ATOM 89 CB PHE A 9 7.419 -14.280 -5.613 1.00 0.00 C ATOM 90 CG PHE A 9 6.013 -13.714 -5.674 1.00 0.00 C ATOM 91 CD1 PHE A 9 4.914 -14.570 -5.460 1.00 0.00 C ATOM 92 CD2 PHE A 9 5.788 -12.350 -5.966 1.00 0.00 C ATOM 93 CE1 PHE A 9 3.615 -14.069 -5.559 1.00 0.00 C ATOM 94 CE2 PHE A 9 4.471 -11.852 -6.040 1.00 0.00 C ATOM 95 CZ PHE A 9 3.393 -12.726 -5.826 1.00 0.00 C ATOM 0 HA PHE A 9 8.255 -13.516 -3.801 1.00 0.00 H new ATOM 0 HB2 PHE A 9 8.071 -13.613 -6.177 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.416 -15.238 -6.134 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.076 -15.610 -5.220 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.625 -11.688 -6.133 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.774 -14.734 -5.426 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.293 -10.809 -6.259 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.382 -12.349 -5.870 1.00 0.00 H new ATOM 105 N THR A 10 6.094 -14.352 -2.769 1.00 0.00 N ATOM 106 CA THR A 10 5.074 -14.734 -1.802 1.00 0.00 C ATOM 107 C THR A 10 4.014 -15.637 -2.460 1.00 0.00 C ATOM 108 O THR A 10 4.373 -16.709 -2.946 1.00 0.00 O ATOM 109 CB THR A 10 4.512 -13.454 -1.142 1.00 0.00 C ATOM 110 OG1 THR A 10 5.519 -12.489 -0.911 1.00 0.00 O ATOM 111 CG2 THR A 10 3.854 -13.745 0.210 1.00 0.00 C ATOM 0 H THR A 10 5.931 -13.426 -3.164 1.00 0.00 H new ATOM 0 HA THR A 10 5.497 -15.341 -1.002 1.00 0.00 H new ATOM 0 HB THR A 10 3.775 -13.071 -1.848 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.685 -11.986 -1.735 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.474 -12.817 0.637 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.030 -14.445 0.071 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.589 -14.181 0.886 1.00 0.00 H new ATOM 119 N ARG A 11 2.734 -15.220 -2.472 1.00 0.00 N ATOM 120 CA ARG A 11 1.519 -15.764 -3.101 1.00 0.00 C ATOM 121 C ARG A 11 0.290 -15.512 -2.243 1.00 0.00 C ATOM 122 O ARG A 11 -0.651 -14.870 -2.692 1.00 0.00 O ATOM 123 CB ARG A 11 1.591 -17.257 -3.439 1.00 0.00 C ATOM 124 CG ARG A 11 2.003 -17.451 -4.897 1.00 0.00 C ATOM 125 CD ARG A 11 2.609 -18.845 -5.070 1.00 0.00 C ATOM 126 NE ARG A 11 2.391 -19.344 -6.426 1.00 0.00 N ATOM 127 CZ ARG A 11 1.274 -19.906 -6.891 1.00 0.00 C ATOM 128 NH1 ARG A 11 0.244 -20.190 -6.093 1.00 0.00 N ATOM 129 NH2 ARG A 11 1.195 -20.164 -8.187 1.00 0.00 N ATOM 0 H ARG A 11 2.497 -14.367 -1.965 1.00 0.00 H new ATOM 0 HA ARG A 11 1.441 -15.226 -4.046 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.307 -17.751 -2.783 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.622 -17.724 -3.263 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.138 -17.334 -5.550 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.726 -16.689 -5.187 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.678 -18.810 -4.859 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.164 -19.531 -4.350 1.00 0.00 H new ATOM 0 HE ARG A 11 3.168 -19.254 -7.080 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.297 -19.977 -5.097 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.597 -20.620 -6.479 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.976 -19.933 -8.801 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.353 -20.593 -8.571 1.00 0.00 H new ATOM 143 N ASP A 12 0.306 -16.040 -1.023 1.00 0.00 N ATOM 144 CA ASP A 12 -0.862 -16.151 -0.139 1.00 0.00 C ATOM 145 C ASP A 12 -0.783 -15.138 1.005 1.00 0.00 C ATOM 146 O ASP A 12 -1.619 -15.127 1.899 1.00 0.00 O ATOM 147 CB ASP A 12 -0.916 -17.597 0.386 1.00 0.00 C ATOM 148 CG ASP A 12 -2.117 -17.909 1.279 1.00 0.00 C ATOM 149 OD1 ASP A 12 -3.183 -18.257 0.705 1.00 0.00 O ATOM 150 OD2 ASP A 12 -1.945 -17.990 2.510 1.00 0.00 O ATOM 0 H ASP A 12 1.157 -16.416 -0.604 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.776 -15.924 -0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.927 -18.278 -0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.003 -17.800 0.945 1.00 0.00 H new ATOM 155 N ALA A 13 0.261 -14.303 1.008 1.00 0.00 N ATOM 156 CA ALA A 13 0.688 -13.411 2.078 1.00 0.00 C ATOM 157 C ALA A 13 1.203 -14.150 3.333 1.00 0.00 C ATOM 158 O ALA A 13 1.892 -13.548 4.156 1.00 0.00 O ATOM 159 CB ALA A 13 -0.430 -12.426 2.422 1.00 0.00 C ATOM 0 H ALA A 13 0.874 -14.232 0.196 1.00 0.00 H new ATOM 0 HA ALA A 13 1.547 -12.856 1.701 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.099 -11.765 3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.677 -11.833 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.313 -12.977 2.748 1.00 0.00 H new ATOM 165 N SER A 14 0.957 -15.461 3.463 1.00 0.00 N ATOM 166 CA SER A 14 1.256 -16.242 4.663 1.00 0.00 C ATOM 167 C SER A 14 2.734 -16.195 5.057 1.00 0.00 C ATOM 168 O SER A 14 3.069 -16.360 6.228 1.00 0.00 O ATOM 169 CB SER A 14 0.860 -17.709 4.438 1.00 0.00 C ATOM 170 OG SER A 14 -0.514 -17.956 4.675 1.00 0.00 O ATOM 0 H SER A 14 0.535 -16.017 2.719 1.00 0.00 H new ATOM 0 HA SER A 14 0.680 -15.796 5.474 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.102 -17.992 3.414 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.456 -18.345 5.093 1.00 0.00 H new ATOM 0 HG SER A 14 -1.029 -17.737 3.871 1.00 0.00 H new ATOM 176 N GLN A 15 3.632 -16.027 4.088 1.00 0.00 N ATOM 177 CA GLN A 15 5.069 -16.140 4.303 1.00 0.00 C ATOM 178 C GLN A 15 5.652 -14.889 4.968 1.00 0.00 C ATOM 179 O GLN A 15 6.812 -14.910 5.385 1.00 0.00 O ATOM 180 CB GLN A 15 5.744 -16.389 2.948 1.00 0.00 C ATOM 181 CG GLN A 15 5.244 -17.673 2.260 1.00 0.00 C ATOM 182 CD GLN A 15 6.171 -18.867 2.476 1.00 0.00 C ATOM 183 OE1 GLN A 15 7.368 -18.805 2.213 1.00 0.00 O ATOM 184 NE2 GLN A 15 5.651 -19.985 2.953 1.00 0.00 N ATOM 0 H GLN A 15 3.378 -15.807 3.125 1.00 0.00 H new ATOM 0 HA GLN A 15 5.257 -16.972 4.981 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.561 -15.537 2.294 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.823 -16.455 3.091 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.251 -17.918 2.638 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.141 -17.489 1.191 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.656 -20.032 3.170 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.245 -20.800 3.104 1.00 0.00 H new ATOM 193 N LEU A 16 4.898 -13.785 5.051 1.00 0.00 N ATOM 194 CA LEU A 16 5.416 -12.549 5.627 1.00 0.00 C ATOM 195 C LEU A 16 5.634 -12.714 7.129 1.00 0.00 C ATOM 196 O LEU A 16 5.145 -13.653 7.766 1.00 0.00 O ATOM 197 CB LEU A 16 4.504 -11.341 5.326 1.00 0.00 C ATOM 198 CG LEU A 16 4.214 -11.101 3.829 1.00 0.00 C ATOM 199 CD1 LEU A 16 3.473 -9.779 3.632 1.00 0.00 C ATOM 200 CD2 LEU A 16 5.495 -11.090 2.984 1.00 0.00 C ATOM 0 H LEU A 16 3.933 -13.728 4.727 1.00 0.00 H new ATOM 0 HA LEU A 16 6.377 -12.342 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.557 -11.481 5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.965 -10.444 5.740 1.00 0.00 H new ATOM 0 HG LEU A 16 3.592 -11.930 3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.277 -9.626 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.528 -9.807 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.084 -8.959 4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.240 -10.918 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.154 -10.295 3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.003 -12.050 3.080 1.00 0.00 H new ATOM 212 N LYS A 17 6.363 -11.771 7.717 1.00 0.00 N ATOM 213 CA LYS A 17 6.639 -11.657 9.126 1.00 0.00 C ATOM 214 C LYS A 17 6.257 -10.233 9.496 1.00 0.00 C ATOM 215 O LYS A 17 6.569 -9.309 8.740 1.00 0.00 O ATOM 216 CB LYS A 17 8.135 -11.891 9.320 1.00 0.00 C ATOM 217 CG LYS A 17 8.618 -13.320 9.054 1.00 0.00 C ATOM 218 CD LYS A 17 8.120 -14.373 10.046 1.00 0.00 C ATOM 219 CE LYS A 17 8.885 -14.398 11.372 1.00 0.00 C ATOM 220 NZ LYS A 17 8.434 -13.406 12.372 1.00 0.00 N ATOM 0 H LYS A 17 6.800 -11.023 7.179 1.00 0.00 H new ATOM 0 HA LYS A 17 6.094 -12.372 9.743 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.679 -11.214 8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.398 -11.622 10.343 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.304 -13.612 8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.708 -13.325 9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.065 -14.192 10.252 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.190 -15.356 9.581 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.798 -15.394 11.806 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.942 -14.231 11.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.612 -13.772 13.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.956 -12.517 12.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.416 -13.231 12.252 1.00 0.00 H new ATOM 234 N GLY A 18 5.577 -10.066 10.622 1.00 0.00 N ATOM 235 CA GLY A 18 4.949 -8.819 11.007 1.00 0.00 C ATOM 236 C GLY A 18 3.575 -9.093 11.602 1.00 0.00 C ATOM 237 O GLY A 18 3.282 -10.230 12.010 1.00 0.00 O ATOM 0 H GLY A 18 5.446 -10.812 11.305 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.572 -8.297 11.733 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.856 -8.166 10.139 1.00 0.00 H new ATOM 241 N THR A 19 2.725 -8.065 11.653 1.00 0.00 N ATOM 242 CA THR A 19 1.319 -8.216 12.017 1.00 0.00 C ATOM 243 C THR A 19 0.491 -8.044 10.732 1.00 0.00 C ATOM 244 O THR A 19 0.984 -7.482 9.748 1.00 0.00 O ATOM 245 CB THR A 19 0.954 -7.200 13.124 1.00 0.00 C ATOM 246 OG1 THR A 19 1.965 -7.089 14.114 1.00 0.00 O ATOM 247 CG2 THR A 19 -0.349 -7.567 13.843 1.00 0.00 C ATOM 0 H THR A 19 2.995 -7.104 11.442 1.00 0.00 H new ATOM 0 HA THR A 19 1.106 -9.201 12.433 1.00 0.00 H new ATOM 0 HB THR A 19 0.840 -6.250 12.601 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.690 -6.435 14.790 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.562 -6.824 14.611 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.167 -7.591 13.123 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.245 -8.548 14.306 1.00 0.00 H new ATOM 255 N PHE A 20 -0.762 -8.502 10.731 1.00 0.00 N ATOM 256 CA PHE A 20 -1.724 -8.350 9.641 1.00 0.00 C ATOM 257 C PHE A 20 -2.923 -7.570 10.171 1.00 0.00 C ATOM 258 O PHE A 20 -3.511 -7.965 11.182 1.00 0.00 O ATOM 259 CB PHE A 20 -2.131 -9.728 9.106 1.00 0.00 C ATOM 260 CG PHE A 20 -1.321 -10.164 7.906 1.00 0.00 C ATOM 261 CD1 PHE A 20 -0.083 -10.816 8.057 1.00 0.00 C ATOM 262 CD2 PHE A 20 -1.831 -9.928 6.619 1.00 0.00 C ATOM 263 CE1 PHE A 20 0.645 -11.216 6.919 1.00 0.00 C ATOM 264 CE2 PHE A 20 -1.094 -10.313 5.492 1.00 0.00 C ATOM 265 CZ PHE A 20 0.164 -10.917 5.635 1.00 0.00 C ATOM 0 H PHE A 20 -1.150 -9.011 11.525 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.284 -7.800 8.809 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.019 -10.466 9.900 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.187 -9.708 8.836 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.309 -11.010 9.045 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.792 -9.450 6.498 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.575 -11.753 7.035 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.498 -10.143 4.505 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.758 -11.150 4.764 1.00 0.00 H new ATOM 275 N LEU A 21 -3.225 -6.425 9.557 1.00 0.00 N ATOM 276 CA LEU A 21 -4.193 -5.459 10.051 1.00 0.00 C ATOM 277 C LEU A 21 -4.914 -4.789 8.897 1.00 0.00 C ATOM 278 O LEU A 21 -4.370 -4.665 7.799 1.00 0.00 O ATOM 279 CB LEU A 21 -3.543 -4.399 10.953 1.00 0.00 C ATOM 280 CG LEU A 21 -2.071 -3.943 10.744 1.00 0.00 C ATOM 281 CD1 LEU A 21 -1.037 -5.007 11.095 1.00 0.00 C ATOM 282 CD2 LEU A 21 -1.711 -3.377 9.367 1.00 0.00 C ATOM 0 H LEU A 21 -2.789 -6.141 8.680 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.915 -6.009 10.655 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.163 -3.505 10.888 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.618 -4.766 11.977 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.027 -3.117 11.454 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.036 -4.612 10.922 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.142 -5.284 12.144 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.193 -5.886 10.470 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.658 -3.097 9.353 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.896 -4.132 8.603 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.323 -2.498 9.164 1.00 0.00 H new ATOM 294 N SER A 22 -6.130 -4.310 9.130 1.00 0.00 N ATOM 295 CA SER A 22 -7.017 -3.949 8.024 1.00 0.00 C ATOM 296 C SER A 22 -8.099 -2.938 8.413 1.00 0.00 C ATOM 297 O SER A 22 -8.384 -2.743 9.597 1.00 0.00 O ATOM 298 CB SER A 22 -7.597 -5.257 7.466 1.00 0.00 C ATOM 299 OG SER A 22 -8.284 -6.006 8.448 1.00 0.00 O ATOM 0 H SER A 22 -6.523 -4.163 10.060 1.00 0.00 H new ATOM 0 HA SER A 22 -6.448 -3.428 7.254 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.278 -5.028 6.646 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.790 -5.861 7.051 1.00 0.00 H new ATOM 0 HG SER A 22 -8.636 -6.827 8.046 1.00 0.00 H new ATOM 305 N THR A 23 -8.729 -2.294 7.427 1.00 0.00 N ATOM 306 CA THR A 23 -9.744 -1.271 7.656 1.00 0.00 C ATOM 307 C THR A 23 -10.698 -1.155 6.468 1.00 0.00 C ATOM 308 O THR A 23 -10.340 -1.484 5.333 1.00 0.00 O ATOM 309 CB THR A 23 -9.057 0.065 7.992 1.00 0.00 C ATOM 310 OG1 THR A 23 -10.032 0.980 8.432 1.00 0.00 O ATOM 311 CG2 THR A 23 -8.295 0.665 6.806 1.00 0.00 C ATOM 0 H THR A 23 -8.545 -2.472 6.440 1.00 0.00 H new ATOM 0 HA THR A 23 -10.360 -1.560 8.508 1.00 0.00 H new ATOM 0 HB THR A 23 -8.321 -0.134 8.771 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.661 1.887 8.415 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.834 1.605 7.108 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.521 -0.031 6.481 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.987 0.848 5.984 1.00 0.00 H new ATOM 319 N THR A 24 -11.892 -0.621 6.724 1.00 0.00 N ATOM 320 CA THR A 24 -12.746 -0.013 5.721 1.00 0.00 C ATOM 321 C THR A 24 -12.611 1.516 5.826 1.00 0.00 C ATOM 322 O THR A 24 -12.921 2.089 6.874 1.00 0.00 O ATOM 323 CB THR A 24 -14.192 -0.472 5.950 1.00 0.00 C ATOM 324 OG1 THR A 24 -14.301 -1.879 5.883 1.00 0.00 O ATOM 325 CG2 THR A 24 -15.134 0.083 4.880 1.00 0.00 C ATOM 0 H THR A 24 -12.296 -0.602 7.660 1.00 0.00 H new ATOM 0 HA THR A 24 -12.452 -0.318 4.717 1.00 0.00 H new ATOM 0 HB THR A 24 -14.467 -0.104 6.938 1.00 0.00 H new ATOM 0 HG1 THR A 24 -15.233 -2.143 6.034 1.00 0.00 H new ATOM 0 HG21 THR A 24 -16.149 -0.263 5.074 1.00 0.00 H new ATOM 0 HG22 THR A 24 -15.111 1.172 4.904 1.00 0.00 H new ATOM 0 HG23 THR A 24 -14.814 -0.265 3.898 1.00 0.00 H new ATOM 333 N LEU A 25 -12.165 2.181 4.757 1.00 0.00 N ATOM 334 CA LEU A 25 -12.291 3.623 4.560 1.00 0.00 C ATOM 335 C LEU A 25 -13.488 3.875 3.642 1.00 0.00 C ATOM 336 O LEU A 25 -13.851 3.007 2.838 1.00 0.00 O ATOM 337 CB LEU A 25 -11.054 4.233 3.867 1.00 0.00 C ATOM 338 CG LEU A 25 -9.661 4.090 4.516 1.00 0.00 C ATOM 339 CD1 LEU A 25 -8.827 5.317 4.149 1.00 0.00 C ATOM 340 CD2 LEU A 25 -9.667 3.985 6.044 1.00 0.00 C ATOM 0 H LEU A 25 -11.692 1.714 3.983 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.404 4.082 5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.994 3.799 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.245 5.299 3.740 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.253 3.154 4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.838 5.233 4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.728 5.379 3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.319 6.216 4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.643 3.888 6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.118 4.882 6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.243 3.111 6.346 1.00 0.00 H new ATOM 352 N LYS A 26 -14.040 5.091 3.665 1.00 0.00 N ATOM 353 CA LYS A 26 -15.046 5.534 2.700 1.00 0.00 C ATOM 354 C LYS A 26 -14.366 6.467 1.699 1.00 0.00 C ATOM 355 O LYS A 26 -13.492 7.260 2.059 1.00 0.00 O ATOM 356 CB LYS A 26 -16.206 6.217 3.445 1.00 0.00 C ATOM 357 CG LYS A 26 -17.475 6.423 2.590 1.00 0.00 C ATOM 358 CD LYS A 26 -18.109 7.808 2.807 1.00 0.00 C ATOM 359 CE LYS A 26 -18.532 8.079 4.258 1.00 0.00 C ATOM 360 NZ LYS A 26 -19.861 7.536 4.590 1.00 0.00 N ATOM 0 H LYS A 26 -13.799 5.799 4.359 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.470 4.692 2.153 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -16.464 5.619 4.319 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.867 7.186 3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.224 6.302 1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -18.204 5.650 2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -17.399 8.574 2.497 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -18.982 7.902 2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -17.792 7.646 4.931 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -18.533 9.155 4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -20.087 7.752 5.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -20.577 7.967 3.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -19.859 6.505 4.452 1.00 0.00 H new ATOM 374 N LYS A 27 -14.771 6.401 0.432 1.00 0.00 N ATOM 375 CA LYS A 27 -14.393 7.357 -0.595 1.00 0.00 C ATOM 376 C LYS A 27 -15.037 8.691 -0.228 1.00 0.00 C ATOM 377 O LYS A 27 -16.243 8.892 -0.425 1.00 0.00 O ATOM 378 CB LYS A 27 -14.821 6.858 -1.979 1.00 0.00 C ATOM 379 CG LYS A 27 -14.164 7.681 -3.098 1.00 0.00 C ATOM 380 CD LYS A 27 -12.849 7.060 -3.578 1.00 0.00 C ATOM 381 CE LYS A 27 -12.438 7.771 -4.872 1.00 0.00 C ATOM 382 NZ LYS A 27 -11.327 7.092 -5.561 1.00 0.00 N ATOM 0 H LYS A 27 -15.385 5.663 0.088 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.311 7.480 -0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.549 5.808 -2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -15.906 6.918 -2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.853 7.763 -3.939 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.976 8.693 -2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.075 7.171 -2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.973 5.991 -3.753 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.297 7.826 -5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.147 8.796 -4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.264 7.436 -6.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.436 7.294 -5.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.496 6.066 -5.565 1.00 0.00 H new ATOM 396 N SER A 28 -14.229 9.547 0.372 1.00 0.00 N ATOM 397 CA SER A 28 -14.559 10.867 0.870 1.00 0.00 C ATOM 398 C SER A 28 -14.355 11.888 -0.274 1.00 0.00 C ATOM 399 O SER A 28 -14.294 11.480 -1.439 1.00 0.00 O ATOM 400 CB SER A 28 -13.671 11.093 2.103 1.00 0.00 C ATOM 401 OG SER A 28 -13.542 9.921 2.902 1.00 0.00 O ATOM 0 H SER A 28 -13.249 9.317 0.535 1.00 0.00 H new ATOM 0 HA SER A 28 -15.597 10.982 1.181 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.683 11.420 1.780 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.091 11.897 2.707 1.00 0.00 H new ATOM 0 HG SER A 28 -13.254 10.171 3.805 1.00 0.00 H new ATOM 407 N ASN A 29 -14.270 13.196 0.024 1.00 0.00 N ATOM 408 CA ASN A 29 -14.167 14.283 -0.967 1.00 0.00 C ATOM 409 C ASN A 29 -13.090 13.974 -2.006 1.00 0.00 C ATOM 410 O ASN A 29 -13.398 13.763 -3.181 1.00 0.00 O ATOM 411 CB ASN A 29 -13.847 15.651 -0.326 1.00 0.00 C ATOM 412 CG ASN A 29 -14.935 16.215 0.570 1.00 0.00 C ATOM 413 OD1 ASN A 29 -16.125 15.949 0.389 1.00 0.00 O ATOM 414 ND2 ASN A 29 -14.553 17.012 1.552 1.00 0.00 N ATOM 0 H ASN A 29 -14.271 13.536 0.986 1.00 0.00 H new ATOM 0 HA ASN A 29 -15.147 14.345 -1.441 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.931 15.556 0.257 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.645 16.369 -1.121 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -15.248 17.420 2.177 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.563 17.219 1.685 1.00 0.00 H new ATOM 421 N MET A 30 -11.828 13.912 -1.571 1.00 0.00 N ATOM 422 CA MET A 30 -10.693 13.562 -2.415 1.00 0.00 C ATOM 423 C MET A 30 -10.329 12.109 -2.137 1.00 0.00 C ATOM 424 O MET A 30 -9.276 11.812 -1.571 1.00 0.00 O ATOM 425 CB MET A 30 -9.508 14.514 -2.191 1.00 0.00 C ATOM 426 CG MET A 30 -9.778 15.930 -2.700 1.00 0.00 C ATOM 427 SD MET A 30 -10.621 17.036 -1.544 1.00 0.00 S ATOM 428 CE MET A 30 -10.117 18.602 -2.297 1.00 0.00 C ATOM 0 H MET A 30 -11.567 14.108 -0.605 1.00 0.00 H new ATOM 0 HA MET A 30 -10.961 13.671 -3.466 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.277 14.554 -1.127 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.627 14.114 -2.694 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.826 16.383 -2.978 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.376 15.861 -3.609 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.537 19.431 -1.728 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.029 18.674 -2.293 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.480 18.645 -3.324 1.00 0.00 H new ATOM 438 N GLY A 31 -11.224 11.199 -2.506 1.00 0.00 N ATOM 439 CA GLY A 31 -11.028 9.775 -2.429 1.00 0.00 C ATOM 440 C GLY A 31 -10.653 9.292 -1.044 1.00 0.00 C ATOM 441 O GLY A 31 -11.521 9.227 -0.177 1.00 0.00 O ATOM 0 H GLY A 31 -12.138 11.454 -2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.942 9.273 -2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.246 9.485 -3.131 1.00 0.00 H new ATOM 445 N PHE A 32 -9.392 8.915 -0.853 1.00 0.00 N ATOM 446 CA PHE A 32 -8.886 8.397 0.404 1.00 0.00 C ATOM 447 C PHE A 32 -7.703 9.257 0.818 1.00 0.00 C ATOM 448 O PHE A 32 -6.994 9.812 -0.023 1.00 0.00 O ATOM 449 CB PHE A 32 -8.489 6.918 0.282 1.00 0.00 C ATOM 450 CG PHE A 32 -9.478 6.026 -0.451 1.00 0.00 C ATOM 451 CD1 PHE A 32 -10.653 5.584 0.188 1.00 0.00 C ATOM 452 CD2 PHE A 32 -9.210 5.618 -1.772 1.00 0.00 C ATOM 453 CE1 PHE A 32 -11.520 4.693 -0.469 1.00 0.00 C ATOM 454 CE2 PHE A 32 -10.081 4.734 -2.432 1.00 0.00 C ATOM 455 CZ PHE A 32 -11.221 4.249 -1.769 1.00 0.00 C ATOM 0 H PHE A 32 -8.683 8.964 -1.585 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.664 8.442 1.166 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.528 6.860 -0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -8.341 6.517 1.285 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.888 5.930 1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.331 5.986 -2.280 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -12.417 4.349 0.026 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.874 4.428 -3.447 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.867 3.535 -2.258 1.00 0.00 H new ATOM 465 N GLY A 33 -7.456 9.347 2.121 1.00 0.00 N ATOM 466 CA GLY A 33 -6.390 10.170 2.666 1.00 0.00 C ATOM 467 C GLY A 33 -5.049 9.443 2.648 1.00 0.00 C ATOM 468 O GLY A 33 -4.324 9.537 3.630 1.00 0.00 O ATOM 0 H GLY A 33 -7.994 8.847 2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.312 11.092 2.090 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.636 10.453 3.689 1.00 0.00 H new ATOM 472 N PHE A 34 -4.717 8.690 1.595 1.00 0.00 N ATOM 473 CA PHE A 34 -3.428 8.015 1.473 1.00 0.00 C ATOM 474 C PHE A 34 -3.091 7.777 0.002 1.00 0.00 C ATOM 475 O PHE A 34 -3.987 7.785 -0.848 1.00 0.00 O ATOM 476 CB PHE A 34 -3.463 6.696 2.250 1.00 0.00 C ATOM 477 CG PHE A 34 -4.286 5.591 1.607 1.00 0.00 C ATOM 478 CD1 PHE A 34 -5.664 5.503 1.881 1.00 0.00 C ATOM 479 CD2 PHE A 34 -3.674 4.615 0.795 1.00 0.00 C ATOM 480 CE1 PHE A 34 -6.425 4.421 1.407 1.00 0.00 C ATOM 481 CE2 PHE A 34 -4.461 3.577 0.252 1.00 0.00 C ATOM 482 CZ PHE A 34 -5.824 3.453 0.578 1.00 0.00 C ATOM 0 H PHE A 34 -5.339 8.533 0.802 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.648 8.647 1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.441 6.340 2.377 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.859 6.890 3.247 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.142 6.277 2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.615 4.661 0.591 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.467 4.332 1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.010 2.866 -0.425 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.403 2.625 0.197 1.00 0.00 H new ATOM 492 N THR A 35 -1.818 7.527 -0.300 1.00 0.00 N ATOM 493 CA THR A 35 -1.314 7.262 -1.642 1.00 0.00 C ATOM 494 C THR A 35 -0.450 5.999 -1.618 1.00 0.00 C ATOM 495 O THR A 35 0.007 5.581 -0.552 1.00 0.00 O ATOM 496 CB THR A 35 -0.589 8.514 -2.178 1.00 0.00 C ATOM 497 OG1 THR A 35 0.454 8.982 -1.337 1.00 0.00 O ATOM 498 CG2 THR A 35 -1.597 9.653 -2.344 1.00 0.00 C ATOM 0 H THR A 35 -1.085 7.503 0.409 1.00 0.00 H new ATOM 0 HA THR A 35 -2.129 7.063 -2.338 1.00 0.00 H new ATOM 0 HB THR A 35 -0.140 8.215 -3.125 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.868 9.774 -1.739 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.086 10.538 -2.723 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.373 9.353 -3.048 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.051 9.881 -1.380 1.00 0.00 H new ATOM 506 N ILE A 36 -0.237 5.364 -2.774 1.00 0.00 N ATOM 507 CA ILE A 36 0.390 4.052 -2.911 1.00 0.00 C ATOM 508 C ILE A 36 1.592 4.141 -3.869 1.00 0.00 C ATOM 509 O ILE A 36 1.756 5.145 -4.578 1.00 0.00 O ATOM 510 CB ILE A 36 -0.692 3.025 -3.326 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.975 3.161 -2.465 1.00 0.00 C ATOM 512 CG2 ILE A 36 -0.179 1.591 -3.133 1.00 0.00 C ATOM 513 CD1 ILE A 36 -3.097 4.016 -3.063 1.00 0.00 C ATOM 0 H ILE A 36 -0.507 5.767 -3.671 1.00 0.00 H new ATOM 0 HA ILE A 36 0.803 3.704 -1.964 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.919 3.227 -4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.368 2.162 -2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.698 3.584 -1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.954 0.884 -3.430 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.708 1.436 -3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.073 1.433 -2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.942 4.040 -2.375 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.734 5.031 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.415 3.587 -4.013 1.00 0.00 H new ATOM 525 N ILE A 37 2.483 3.147 -3.839 1.00 0.00 N ATOM 526 CA ILE A 37 3.673 3.051 -4.678 1.00 0.00 C ATOM 527 C ILE A 37 3.797 1.631 -5.258 1.00 0.00 C ATOM 528 O ILE A 37 3.330 0.670 -4.647 1.00 0.00 O ATOM 529 CB ILE A 37 4.904 3.537 -3.871 1.00 0.00 C ATOM 530 CG1 ILE A 37 6.207 3.415 -4.679 1.00 0.00 C ATOM 531 CG2 ILE A 37 5.034 2.921 -2.474 1.00 0.00 C ATOM 532 CD1 ILE A 37 7.361 4.279 -4.169 1.00 0.00 C ATOM 0 H ILE A 37 2.388 2.356 -3.202 1.00 0.00 H new ATOM 0 HA ILE A 37 3.602 3.707 -5.546 1.00 0.00 H new ATOM 0 HB ILE A 37 4.720 4.596 -3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.524 2.372 -4.676 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.002 3.683 -5.715 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.922 3.318 -1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.152 3.168 -1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.121 1.838 -2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 37 8.236 4.127 -4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.070 5.329 -4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.600 3.998 -3.143 1.00 0.00 H new ATOM 544 N GLY A 38 4.424 1.537 -6.436 1.00 0.00 N ATOM 545 CA GLY A 38 4.772 0.346 -7.207 1.00 0.00 C ATOM 546 C GLY A 38 6.277 0.293 -7.398 1.00 0.00 C ATOM 547 O GLY A 38 6.944 1.332 -7.305 1.00 0.00 O ATOM 0 H GLY A 38 4.730 2.382 -6.919 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.428 -0.549 -6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.272 0.367 -8.175 1.00 0.00 H new ATOM 551 N GLY A 39 6.818 -0.910 -7.569 1.00 0.00 N ATOM 552 CA GLY A 39 8.212 -1.136 -7.897 1.00 0.00 C ATOM 553 C GLY A 39 8.443 -0.570 -9.286 1.00 0.00 C ATOM 554 O GLY A 39 8.787 0.603 -9.447 1.00 0.00 O ATOM 0 H GLY A 39 6.281 -1.773 -7.480 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.862 -0.649 -7.170 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.446 -2.200 -7.871 1.00 0.00 H new ATOM 558 N ASP A 40 8.081 -1.381 -10.272 1.00 0.00 N ATOM 559 CA ASP A 40 7.873 -1.000 -11.661 1.00 0.00 C ATOM 560 C ASP A 40 7.337 -2.193 -12.450 1.00 0.00 C ATOM 561 O ASP A 40 6.544 -1.979 -13.370 1.00 0.00 O ATOM 562 CB ASP A 40 9.139 -0.414 -12.340 1.00 0.00 C ATOM 563 CG ASP A 40 8.952 1.025 -12.844 1.00 0.00 C ATOM 564 OD1 ASP A 40 7.803 1.509 -12.930 1.00 0.00 O ATOM 565 OD2 ASP A 40 9.954 1.726 -13.126 1.00 0.00 O ATOM 0 H ASP A 40 7.916 -2.375 -10.114 1.00 0.00 H new ATOM 0 HA ASP A 40 7.138 -0.195 -11.661 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.966 -0.438 -11.631 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.420 -1.051 -13.179 1.00 0.00 H new ATOM 570 N GLU A 41 7.726 -3.422 -12.094 1.00 0.00 N ATOM 571 CA GLU A 41 7.319 -4.668 -12.750 1.00 0.00 C ATOM 572 C GLU A 41 6.087 -5.336 -12.094 1.00 0.00 C ATOM 573 O GLU A 41 5.711 -4.970 -10.971 1.00 0.00 O ATOM 574 CB GLU A 41 8.539 -5.613 -12.831 1.00 0.00 C ATOM 575 CG GLU A 41 9.348 -5.324 -14.112 1.00 0.00 C ATOM 576 CD GLU A 41 10.071 -6.554 -14.666 1.00 0.00 C ATOM 577 OE1 GLU A 41 9.369 -7.524 -15.041 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.303 -6.466 -14.882 1.00 0.00 O ATOM 0 H GLU A 41 8.358 -3.582 -11.310 1.00 0.00 H new ATOM 0 HA GLU A 41 6.985 -4.430 -13.760 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.172 -5.479 -11.954 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.206 -6.651 -12.828 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.677 -4.932 -14.876 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.081 -4.545 -13.902 1.00 0.00 H new ATOM 585 N PRO A 42 5.410 -6.270 -12.804 1.00 0.00 N ATOM 586 CA PRO A 42 4.108 -6.838 -12.427 1.00 0.00 C ATOM 587 C PRO A 42 4.223 -7.953 -11.365 1.00 0.00 C ATOM 588 O PRO A 42 3.587 -9.006 -11.488 1.00 0.00 O ATOM 589 CB PRO A 42 3.515 -7.329 -13.762 1.00 0.00 C ATOM 590 CG PRO A 42 4.744 -7.802 -14.523 1.00 0.00 C ATOM 591 CD PRO A 42 5.757 -6.726 -14.153 1.00 0.00 C ATOM 0 HA PRO A 42 3.464 -6.106 -11.940 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.796 -8.135 -13.613 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.994 -6.531 -14.291 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.065 -8.795 -14.208 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.569 -7.850 -15.598 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.771 -7.124 -14.178 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.721 -5.899 -14.863 1.00 0.00 H new ATOM 599 N ASP A 43 5.052 -7.754 -10.342 1.00 0.00 N ATOM 600 CA ASP A 43 5.364 -8.703 -9.275 1.00 0.00 C ATOM 601 C ASP A 43 6.091 -8.020 -8.100 1.00 0.00 C ATOM 602 O ASP A 43 6.572 -8.703 -7.192 1.00 0.00 O ATOM 603 CB ASP A 43 6.143 -9.927 -9.815 1.00 0.00 C ATOM 604 CG ASP A 43 7.383 -9.623 -10.658 1.00 0.00 C ATOM 605 OD1 ASP A 43 7.981 -8.537 -10.560 1.00 0.00 O ATOM 606 OD2 ASP A 43 7.764 -10.521 -11.463 1.00 0.00 O ATOM 0 H ASP A 43 5.554 -6.873 -10.229 1.00 0.00 H new ATOM 0 HA ASP A 43 4.419 -9.078 -8.882 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.448 -10.540 -8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.461 -10.529 -10.415 1.00 0.00 H new ATOM 611 N GLU A 44 6.133 -6.683 -8.036 1.00 0.00 N ATOM 612 CA GLU A 44 6.745 -5.957 -6.918 1.00 0.00 C ATOM 613 C GLU A 44 5.745 -5.772 -5.771 1.00 0.00 C ATOM 614 O GLU A 44 4.533 -5.833 -5.967 1.00 0.00 O ATOM 615 CB GLU A 44 7.360 -4.629 -7.386 1.00 0.00 C ATOM 616 CG GLU A 44 8.574 -4.888 -8.287 1.00 0.00 C ATOM 617 CD GLU A 44 9.869 -4.962 -7.483 1.00 0.00 C ATOM 618 OE1 GLU A 44 10.222 -6.070 -6.987 1.00 0.00 O ATOM 619 OE2 GLU A 44 10.530 -3.915 -7.326 1.00 0.00 O ATOM 0 H GLU A 44 5.744 -6.076 -8.757 1.00 0.00 H new ATOM 0 HA GLU A 44 7.566 -6.558 -6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.615 -4.047 -7.928 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.661 -4.036 -6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.430 -5.821 -8.832 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.652 -4.094 -9.030 1.00 0.00 H new ATOM 626 N PHE A 45 6.258 -5.611 -4.550 1.00 0.00 N ATOM 627 CA PHE A 45 5.458 -5.584 -3.319 1.00 0.00 C ATOM 628 C PHE A 45 4.949 -4.165 -3.073 1.00 0.00 C ATOM 629 O PHE A 45 5.759 -3.265 -2.834 1.00 0.00 O ATOM 630 CB PHE A 45 6.249 -6.013 -2.070 1.00 0.00 C ATOM 631 CG PHE A 45 6.633 -7.473 -1.912 1.00 0.00 C ATOM 632 CD1 PHE A 45 7.142 -8.213 -2.990 1.00 0.00 C ATOM 633 CD2 PHE A 45 6.593 -8.064 -0.635 1.00 0.00 C ATOM 634 CE1 PHE A 45 7.638 -9.509 -2.797 1.00 0.00 C ATOM 635 CE2 PHE A 45 7.116 -9.355 -0.429 1.00 0.00 C ATOM 636 CZ PHE A 45 7.637 -10.083 -1.514 1.00 0.00 C ATOM 0 H PHE A 45 7.257 -5.494 -4.383 1.00 0.00 H new ATOM 0 HA PHE A 45 4.644 -6.293 -3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.167 -5.426 -2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.664 -5.729 -1.195 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.152 -7.779 -3.979 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.158 -7.523 0.193 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.022 -10.069 -3.637 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.117 -9.786 0.561 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.033 -11.076 -1.362 1.00 0.00 H new ATOM 646 N LEU A 46 3.640 -3.938 -3.105 1.00 0.00 N ATOM 647 CA LEU A 46 3.060 -2.588 -3.061 1.00 0.00 C ATOM 648 C LEU A 46 3.024 -2.093 -1.609 1.00 0.00 C ATOM 649 O LEU A 46 2.662 -2.861 -0.715 1.00 0.00 O ATOM 650 CB LEU A 46 1.610 -2.639 -3.567 1.00 0.00 C ATOM 651 CG LEU A 46 1.422 -3.051 -5.041 1.00 0.00 C ATOM 652 CD1 LEU A 46 0.035 -3.670 -5.188 1.00 0.00 C ATOM 653 CD2 LEU A 46 1.508 -1.858 -5.998 1.00 0.00 C ATOM 0 H LEU A 46 2.945 -4.682 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 46 3.664 -1.925 -3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.052 -3.336 -2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.162 -1.655 -3.425 1.00 0.00 H new ATOM 0 HG LEU A 46 2.219 -3.749 -5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.122 -3.970 -6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.044 -4.544 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.722 -2.939 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.369 -2.203 -7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.731 -1.136 -5.750 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.486 -1.386 -5.904 1.00 0.00 H new ATOM 665 N GLN A 47 3.316 -0.810 -1.356 1.00 0.00 N ATOM 666 CA GLN A 47 3.280 -0.220 -0.010 1.00 0.00 C ATOM 667 C GLN A 47 2.506 1.099 -0.004 1.00 0.00 C ATOM 668 O GLN A 47 2.365 1.751 -1.041 1.00 0.00 O ATOM 669 CB GLN A 47 4.699 -0.023 0.546 1.00 0.00 C ATOM 670 CG GLN A 47 5.415 -1.369 0.718 1.00 0.00 C ATOM 671 CD GLN A 47 6.854 -1.241 1.198 1.00 0.00 C ATOM 672 OE1 GLN A 47 7.794 -1.495 0.449 1.00 0.00 O ATOM 673 NE2 GLN A 47 7.065 -0.888 2.452 1.00 0.00 N ATOM 0 H GLN A 47 3.586 -0.148 -2.084 1.00 0.00 H new ATOM 0 HA GLN A 47 2.756 -0.919 0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.272 0.614 -0.128 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.649 0.491 1.506 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.857 -1.979 1.429 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.405 -1.900 -0.234 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.275 -0.680 3.063 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.018 -0.823 2.810 1.00 0.00 H new ATOM 682 N VAL A 48 1.989 1.511 1.159 1.00 0.00 N ATOM 683 CA VAL A 48 1.447 2.846 1.365 1.00 0.00 C ATOM 684 C VAL A 48 2.594 3.836 1.135 1.00 0.00 C ATOM 685 O VAL A 48 3.533 3.878 1.936 1.00 0.00 O ATOM 686 CB VAL A 48 0.921 2.945 2.816 1.00 0.00 C ATOM 687 CG1 VAL A 48 0.408 4.347 3.159 1.00 0.00 C ATOM 688 CG2 VAL A 48 -0.222 1.974 3.125 1.00 0.00 C ATOM 0 H VAL A 48 1.938 0.917 1.987 1.00 0.00 H new ATOM 0 HA VAL A 48 0.625 3.064 0.684 1.00 0.00 H new ATOM 0 HB VAL A 48 1.793 2.690 3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.050 4.362 4.189 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.217 5.068 3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.409 4.610 2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.538 2.102 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.062 2.178 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.120 0.950 2.974 1.00 0.00 H new ATOM 698 N LYS A 49 2.534 4.620 0.053 1.00 0.00 N ATOM 699 CA LYS A 49 3.504 5.669 -0.251 1.00 0.00 C ATOM 700 C LYS A 49 3.497 6.696 0.862 1.00 0.00 C ATOM 701 O LYS A 49 4.551 6.993 1.411 1.00 0.00 O ATOM 702 CB LYS A 49 3.196 6.333 -1.600 1.00 0.00 C ATOM 703 CG LYS A 49 4.242 7.400 -1.955 1.00 0.00 C ATOM 704 CD LYS A 49 4.065 7.983 -3.362 1.00 0.00 C ATOM 705 CE LYS A 49 4.584 7.005 -4.419 1.00 0.00 C ATOM 706 NZ LYS A 49 5.067 7.668 -5.643 1.00 0.00 N ATOM 0 H LYS A 49 1.796 4.539 -0.646 1.00 0.00 H new ATOM 0 HA LYS A 49 4.495 5.221 -0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.169 5.574 -2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.207 6.790 -1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.188 8.208 -1.226 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.237 6.963 -1.873 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.012 8.197 -3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.601 8.929 -3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.394 6.415 -3.991 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.787 6.309 -4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.404 6.951 -6.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.291 8.210 -6.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.848 8.312 -5.404 1.00 0.00 H new ATOM 720 N SER A 50 2.329 7.254 1.179 1.00 0.00 N ATOM 721 CA SER A 50 2.145 8.080 2.347 1.00 0.00 C ATOM 722 C SER A 50 0.699 8.065 2.789 1.00 0.00 C ATOM 723 O SER A 50 -0.195 7.759 2.000 1.00 0.00 O ATOM 724 CB SER A 50 2.590 9.502 2.038 1.00 0.00 C ATOM 725 OG SER A 50 1.959 10.087 0.904 1.00 0.00 O ATOM 0 H SER A 50 1.484 7.138 0.620 1.00 0.00 H new ATOM 0 HA SER A 50 2.751 7.682 3.161 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.394 10.127 2.909 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.668 9.505 1.879 1.00 0.00 H new ATOM 0 HG SER A 50 1.505 9.390 0.386 1.00 0.00 H new ATOM 731 N VAL A 51 0.483 8.517 4.012 1.00 0.00 N ATOM 732 CA VAL A 51 -0.810 8.974 4.488 1.00 0.00 C ATOM 733 C VAL A 51 -0.834 10.507 4.302 1.00 0.00 C ATOM 734 O VAL A 51 0.211 11.165 4.399 1.00 0.00 O ATOM 735 CB VAL A 51 -0.982 8.498 5.948 1.00 0.00 C ATOM 736 CG1 VAL A 51 -2.386 8.841 6.450 1.00 0.00 C ATOM 737 CG2 VAL A 51 -0.813 6.970 6.106 1.00 0.00 C ATOM 0 H VAL A 51 1.218 8.578 4.717 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.657 8.564 3.938 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.206 9.006 6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.497 8.501 7.480 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.535 9.920 6.406 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.128 8.346 5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.945 6.696 7.153 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.559 6.457 5.500 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.185 6.678 5.777 1.00 0.00 H new ATOM 747 N ILE A 52 -1.991 11.089 3.978 1.00 0.00 N ATOM 748 CA ILE A 52 -2.268 12.510 4.064 1.00 0.00 C ATOM 749 C ILE A 52 -2.672 12.800 5.521 1.00 0.00 C ATOM 750 O ILE A 52 -3.624 12.186 6.012 1.00 0.00 O ATOM 751 CB ILE A 52 -3.399 12.872 3.076 1.00 0.00 C ATOM 752 CG1 ILE A 52 -2.933 12.864 1.607 1.00 0.00 C ATOM 753 CG2 ILE A 52 -3.952 14.281 3.362 1.00 0.00 C ATOM 754 CD1 ILE A 52 -2.356 11.581 1.008 1.00 0.00 C ATOM 0 H ILE A 52 -2.789 10.554 3.635 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.400 13.112 3.797 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.163 12.108 3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.784 13.158 0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.178 13.643 1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.747 14.511 2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.350 14.317 4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.151 15.014 3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.081 11.757 -0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.472 11.282 1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.103 10.789 1.057 1.00 0.00 H new ATOM 766 N PRO A 53 -1.986 13.715 6.221 1.00 0.00 N ATOM 767 CA PRO A 53 -2.415 14.182 7.531 1.00 0.00 C ATOM 768 C PRO A 53 -3.738 14.945 7.404 1.00 0.00 C ATOM 769 O PRO A 53 -4.017 15.533 6.362 1.00 0.00 O ATOM 770 CB PRO A 53 -1.288 15.086 8.026 1.00 0.00 C ATOM 771 CG PRO A 53 -0.575 15.558 6.764 1.00 0.00 C ATOM 772 CD PRO A 53 -0.870 14.493 5.722 1.00 0.00 C ATOM 0 HA PRO A 53 -2.595 13.366 8.230 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.680 15.928 8.596 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.608 14.545 8.684 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.942 16.534 6.445 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.497 15.660 6.931 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.115 14.949 4.763 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.002 13.859 5.560 1.00 0.00 H new ATOM 780 N ASP A 54 -4.555 14.924 8.457 1.00 0.00 N ATOM 781 CA ASP A 54 -5.953 15.374 8.474 1.00 0.00 C ATOM 782 C ASP A 54 -6.881 14.652 7.492 1.00 0.00 C ATOM 783 O ASP A 54 -8.090 14.890 7.535 1.00 0.00 O ATOM 784 CB ASP A 54 -6.126 16.907 8.492 1.00 0.00 C ATOM 785 CG ASP A 54 -5.980 17.655 7.163 1.00 0.00 C ATOM 786 OD1 ASP A 54 -6.812 17.477 6.234 1.00 0.00 O ATOM 787 OD2 ASP A 54 -5.120 18.559 7.112 1.00 0.00 O ATOM 0 H ASP A 54 -4.249 14.577 9.366 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.309 15.045 9.450 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.114 17.128 8.895 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.398 17.319 9.191 1.00 0.00 H new ATOM 792 N GLY A 55 -6.370 13.702 6.701 1.00 0.00 N ATOM 793 CA GLY A 55 -7.147 12.900 5.771 1.00 0.00 C ATOM 794 C GLY A 55 -7.994 11.840 6.476 1.00 0.00 C ATOM 795 O GLY A 55 -7.774 11.522 7.648 1.00 0.00 O ATOM 0 H GLY A 55 -5.377 13.469 6.696 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.798 13.553 5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.473 12.412 5.066 1.00 0.00 H new ATOM 799 N PRO A 56 -8.946 11.216 5.762 1.00 0.00 N ATOM 800 CA PRO A 56 -9.848 10.243 6.364 1.00 0.00 C ATOM 801 C PRO A 56 -9.123 8.962 6.781 1.00 0.00 C ATOM 802 O PRO A 56 -9.552 8.289 7.711 1.00 0.00 O ATOM 803 CB PRO A 56 -10.942 9.981 5.324 1.00 0.00 C ATOM 804 CG PRO A 56 -10.358 10.454 3.993 1.00 0.00 C ATOM 805 CD PRO A 56 -9.324 11.504 4.388 1.00 0.00 C ATOM 0 HA PRO A 56 -10.276 10.628 7.290 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.202 8.923 5.285 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.855 10.525 5.568 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.900 9.631 3.445 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.128 10.877 3.348 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.456 11.460 3.730 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -9.739 12.508 4.302 1.00 0.00 H new ATOM 813 N ALA A 57 -8.006 8.626 6.124 1.00 0.00 N ATOM 814 CA ALA A 57 -7.182 7.496 6.528 1.00 0.00 C ATOM 815 C ALA A 57 -6.542 7.781 7.892 1.00 0.00 C ATOM 816 O ALA A 57 -6.595 6.926 8.776 1.00 0.00 O ATOM 817 CB ALA A 57 -6.136 7.212 5.446 1.00 0.00 C ATOM 0 H ALA A 57 -7.657 9.128 5.307 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.797 6.602 6.637 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.519 6.366 5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.638 6.977 4.507 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.505 8.090 5.310 1.00 0.00 H new ATOM 823 N ALA A 58 -5.990 8.990 8.071 1.00 0.00 N ATOM 824 CA ALA A 58 -5.363 9.412 9.314 1.00 0.00 C ATOM 825 C ALA A 58 -6.374 9.413 10.465 1.00 0.00 C ATOM 826 O ALA A 58 -6.050 8.923 11.545 1.00 0.00 O ATOM 827 CB ALA A 58 -4.715 10.791 9.136 1.00 0.00 C ATOM 0 H ALA A 58 -5.971 9.704 7.343 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.580 8.698 9.571 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.249 11.097 10.072 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.958 10.739 8.353 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.477 11.518 8.856 1.00 0.00 H new ATOM 833 N GLN A 59 -7.590 9.927 10.242 1.00 0.00 N ATOM 834 CA GLN A 59 -8.655 9.905 11.245 1.00 0.00 C ATOM 835 C GLN A 59 -9.208 8.501 11.514 1.00 0.00 C ATOM 836 O GLN A 59 -9.772 8.269 12.583 1.00 0.00 O ATOM 837 CB GLN A 59 -9.817 10.805 10.809 1.00 0.00 C ATOM 838 CG GLN A 59 -9.553 12.302 11.008 1.00 0.00 C ATOM 839 CD GLN A 59 -10.868 13.073 11.123 1.00 0.00 C ATOM 840 OE1 GLN A 59 -11.135 13.760 12.103 1.00 0.00 O ATOM 841 NE2 GLN A 59 -11.766 12.942 10.164 1.00 0.00 N ATOM 0 H GLN A 59 -7.860 10.368 9.363 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.201 10.269 12.167 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.031 10.621 9.756 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.709 10.526 11.369 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.957 12.455 11.908 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.972 12.688 10.171 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.557 12.373 9.343 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.669 13.409 10.244 1.00 0.00 H new ATOM 850 N ASP A 60 -9.128 7.571 10.562 1.00 0.00 N ATOM 851 CA ASP A 60 -9.475 6.175 10.821 1.00 0.00 C ATOM 852 C ASP A 60 -8.421 5.556 11.738 1.00 0.00 C ATOM 853 O ASP A 60 -8.758 4.811 12.661 1.00 0.00 O ATOM 854 CB ASP A 60 -9.584 5.407 9.507 1.00 0.00 C ATOM 855 CG ASP A 60 -9.739 3.910 9.719 1.00 0.00 C ATOM 856 OD1 ASP A 60 -10.699 3.453 10.391 1.00 0.00 O ATOM 857 OD2 ASP A 60 -8.871 3.184 9.190 1.00 0.00 O ATOM 0 H ASP A 60 -8.826 7.760 9.606 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.444 6.122 11.317 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.437 5.781 8.941 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.695 5.595 8.905 1.00 0.00 H new ATOM 862 N GLY A 61 -7.148 5.902 11.528 1.00 0.00 N ATOM 863 CA GLY A 61 -6.077 5.622 12.470 1.00 0.00 C ATOM 864 C GLY A 61 -5.558 4.187 12.418 1.00 0.00 C ATOM 865 O GLY A 61 -4.968 3.733 13.403 1.00 0.00 O ATOM 0 H GLY A 61 -6.835 6.389 10.688 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.249 6.303 12.275 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.431 5.832 13.479 1.00 0.00 H new ATOM 869 N LYS A 62 -5.772 3.441 11.327 1.00 0.00 N ATOM 870 CA LYS A 62 -5.239 2.080 11.194 1.00 0.00 C ATOM 871 C LYS A 62 -3.959 2.063 10.367 1.00 0.00 C ATOM 872 O LYS A 62 -2.989 1.426 10.768 1.00 0.00 O ATOM 873 CB LYS A 62 -6.296 1.100 10.638 1.00 0.00 C ATOM 874 CG LYS A 62 -7.288 0.628 11.718 1.00 0.00 C ATOM 875 CD LYS A 62 -8.510 1.540 11.756 1.00 0.00 C ATOM 876 CE LYS A 62 -9.397 1.402 12.989 1.00 0.00 C ATOM 877 NZ LYS A 62 -10.379 2.508 13.007 1.00 0.00 N ATOM 0 H LYS A 62 -6.312 3.758 10.522 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.983 1.733 12.195 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.846 1.583 9.830 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.793 0.234 10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.598 -0.397 11.513 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.799 0.624 12.692 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.172 2.574 11.688 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.115 1.344 10.871 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.913 0.442 12.975 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.789 1.424 13.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.128 2.296 13.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.901 3.392 13.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.799 2.614 12.062 1.00 0.00 H new ATOM 891 N MET A 63 -3.973 2.648 9.179 1.00 0.00 N ATOM 892 CA MET A 63 -2.909 2.537 8.191 1.00 0.00 C ATOM 893 C MET A 63 -1.782 3.498 8.532 1.00 0.00 C ATOM 894 O MET A 63 -2.062 4.624 8.953 1.00 0.00 O ATOM 895 CB MET A 63 -3.564 2.915 6.867 1.00 0.00 C ATOM 896 CG MET A 63 -2.662 3.214 5.671 1.00 0.00 C ATOM 897 SD MET A 63 -3.509 4.305 4.508 1.00 0.00 S ATOM 898 CE MET A 63 -4.968 3.322 4.054 1.00 0.00 C ATOM 0 H MET A 63 -4.749 3.231 8.866 1.00 0.00 H new ATOM 0 HA MET A 63 -2.472 1.539 8.155 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.233 2.103 6.584 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.185 3.793 7.042 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.738 3.681 6.011 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.386 2.284 5.173 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.827 2.900 3.059 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.102 2.515 4.775 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.852 3.960 4.055 1.00 0.00 H new ATOM 908 N GLU A 64 -0.543 3.119 8.233 1.00 0.00 N ATOM 909 CA GLU A 64 0.618 3.985 8.362 1.00 0.00 C ATOM 910 C GLU A 64 1.505 3.900 7.120 1.00 0.00 C ATOM 911 O GLU A 64 1.352 3.032 6.257 1.00 0.00 O ATOM 912 CB GLU A 64 1.383 3.658 9.650 1.00 0.00 C ATOM 913 CG GLU A 64 0.594 4.098 10.893 1.00 0.00 C ATOM 914 CD GLU A 64 1.524 4.622 11.983 1.00 0.00 C ATOM 915 OE1 GLU A 64 1.972 5.789 11.828 1.00 0.00 O ATOM 916 OE2 GLU A 64 1.783 3.899 12.969 1.00 0.00 O ATOM 0 H GLU A 64 -0.317 2.186 7.889 1.00 0.00 H new ATOM 0 HA GLU A 64 0.282 5.019 8.435 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.576 2.586 9.699 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.352 4.156 9.636 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.120 4.874 10.617 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.018 3.256 11.277 1.00 0.00 H new ATOM 923 N THR A 65 2.412 4.864 6.998 1.00 0.00 N ATOM 924 CA THR A 65 3.318 4.994 5.873 1.00 0.00 C ATOM 925 C THR A 65 4.415 3.935 6.003 1.00 0.00 C ATOM 926 O THR A 65 5.142 3.917 6.993 1.00 0.00 O ATOM 927 CB THR A 65 3.892 6.415 5.875 1.00 0.00 C ATOM 928 OG1 THR A 65 2.849 7.379 5.938 1.00 0.00 O ATOM 929 CG2 THR A 65 4.734 6.685 4.636 1.00 0.00 C ATOM 0 H THR A 65 2.537 5.593 7.700 1.00 0.00 H new ATOM 0 HA THR A 65 2.805 4.834 4.925 1.00 0.00 H new ATOM 0 HB THR A 65 4.527 6.497 6.757 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.236 8.280 5.940 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.123 7.703 4.675 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.565 5.980 4.600 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.118 6.566 3.745 1.00 0.00 H new ATOM 937 N GLY A 66 4.536 3.068 4.998 1.00 0.00 N ATOM 938 CA GLY A 66 5.447 1.925 5.008 1.00 0.00 C ATOM 939 C GLY A 66 4.700 0.595 5.006 1.00 0.00 C ATOM 940 O GLY A 66 5.281 -0.409 4.599 1.00 0.00 O ATOM 0 H GLY A 66 3.993 3.142 4.138 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.100 1.975 4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.087 1.980 5.889 1.00 0.00 H new ATOM 944 N ASP A 67 3.424 0.566 5.403 1.00 0.00 N ATOM 945 CA ASP A 67 2.662 -0.685 5.463 1.00 0.00 C ATOM 946 C ASP A 67 2.520 -1.267 4.042 1.00 0.00 C ATOM 947 O ASP A 67 2.452 -0.517 3.064 1.00 0.00 O ATOM 948 CB ASP A 67 1.258 -0.442 6.019 1.00 0.00 C ATOM 949 CG ASP A 67 1.038 -0.412 7.527 1.00 0.00 C ATOM 950 OD1 ASP A 67 1.636 -1.229 8.268 1.00 0.00 O ATOM 951 OD2 ASP A 67 0.126 0.332 7.952 1.00 0.00 O ATOM 0 H ASP A 67 2.898 1.393 5.687 1.00 0.00 H new ATOM 0 HA ASP A 67 3.196 -1.376 6.115 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.910 0.511 5.620 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.607 -1.215 5.610 1.00 0.00 H new ATOM 956 N VAL A 68 2.421 -2.593 3.919 1.00 0.00 N ATOM 957 CA VAL A 68 2.445 -3.361 2.668 1.00 0.00 C ATOM 958 C VAL A 68 1.010 -3.749 2.299 1.00 0.00 C ATOM 959 O VAL A 68 0.344 -4.353 3.137 1.00 0.00 O ATOM 960 CB VAL A 68 3.337 -4.603 2.900 1.00 0.00 C ATOM 961 CG1 VAL A 68 3.239 -5.639 1.773 1.00 0.00 C ATOM 962 CG2 VAL A 68 4.810 -4.220 3.089 1.00 0.00 C ATOM 0 H VAL A 68 2.316 -3.195 4.735 1.00 0.00 H new ATOM 0 HA VAL A 68 2.854 -2.781 1.841 1.00 0.00 H new ATOM 0 HB VAL A 68 2.953 -5.056 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.889 -6.484 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.209 -5.986 1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.549 -5.184 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.402 -5.121 3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.169 -3.703 2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.907 -3.563 3.954 1.00 0.00 H new ATOM 972 N ILE A 69 0.517 -3.412 1.101 1.00 0.00 N ATOM 973 CA ILE A 69 -0.810 -3.766 0.603 1.00 0.00 C ATOM 974 C ILE A 69 -0.785 -5.237 0.236 1.00 0.00 C ATOM 975 O ILE A 69 0.076 -5.704 -0.515 1.00 0.00 O ATOM 976 CB ILE A 69 -1.299 -2.911 -0.586 1.00 0.00 C ATOM 977 CG1 ILE A 69 -1.346 -1.404 -0.275 1.00 0.00 C ATOM 978 CG2 ILE A 69 -2.740 -3.313 -0.970 1.00 0.00 C ATOM 979 CD1 ILE A 69 -0.016 -0.692 -0.424 1.00 0.00 C ATOM 0 H ILE A 69 1.055 -2.864 0.429 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.529 -3.560 1.396 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.583 -3.094 -1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.073 -0.932 -0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.705 -1.267 0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.076 -2.704 -1.810 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.761 -4.365 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.401 -3.153 -0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.140 0.364 -0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.712 -1.134 0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.338 -0.794 -1.450 1.00 0.00 H new ATOM 991 N VAL A 70 -1.768 -5.945 0.771 1.00 0.00 N ATOM 992 CA VAL A 70 -1.979 -7.354 0.503 1.00 0.00 C ATOM 993 C VAL A 70 -3.247 -7.541 -0.333 1.00 0.00 C ATOM 994 O VAL A 70 -3.204 -8.138 -1.414 1.00 0.00 O ATOM 995 CB VAL A 70 -2.058 -8.138 1.824 1.00 0.00 C ATOM 996 CG1 VAL A 70 -1.881 -9.619 1.523 1.00 0.00 C ATOM 997 CG2 VAL A 70 -1.096 -7.682 2.933 1.00 0.00 C ATOM 0 H VAL A 70 -2.452 -5.547 1.415 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.136 -7.744 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.044 -7.931 2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.935 -10.188 2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.670 -9.950 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.911 -9.781 1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.239 -8.304 3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.068 -7.777 2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.299 -6.641 3.185 1.00 0.00 H new ATOM 1007 N TYR A 71 -4.377 -7.047 0.176 1.00 0.00 N ATOM 1008 CA TYR A 71 -5.702 -7.323 -0.351 1.00 0.00 C ATOM 1009 C TYR A 71 -6.473 -6.004 -0.467 1.00 0.00 C ATOM 1010 O TYR A 71 -6.268 -5.110 0.360 1.00 0.00 O ATOM 1011 CB TYR A 71 -6.443 -8.317 0.566 1.00 0.00 C ATOM 1012 CG TYR A 71 -5.798 -9.687 0.777 1.00 0.00 C ATOM 1013 CD1 TYR A 71 -5.948 -10.689 -0.193 1.00 0.00 C ATOM 1014 CD2 TYR A 71 -5.101 -10.003 1.962 1.00 0.00 C ATOM 1015 CE1 TYR A 71 -5.372 -11.959 -0.004 1.00 0.00 C ATOM 1016 CE2 TYR A 71 -4.554 -11.277 2.184 1.00 0.00 C ATOM 1017 CZ TYR A 71 -4.647 -12.255 1.171 1.00 0.00 C ATOM 1018 OH TYR A 71 -4.016 -13.457 1.278 1.00 0.00 O ATOM 0 H TYR A 71 -4.389 -6.429 0.987 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.622 -7.778 -1.338 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.567 -7.848 1.542 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.442 -8.473 0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.510 -10.484 -1.092 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.985 -9.243 2.720 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.486 -12.716 -0.766 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.067 -11.506 3.120 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.088 -13.315 1.559 1.00 0.00 H new ATOM 1028 N ILE A 72 -7.356 -5.897 -1.466 1.00 0.00 N ATOM 1029 CA ILE A 72 -8.274 -4.780 -1.682 1.00 0.00 C ATOM 1030 C ILE A 72 -9.654 -5.408 -1.891 1.00 0.00 C ATOM 1031 O ILE A 72 -9.851 -6.231 -2.792 1.00 0.00 O ATOM 1032 CB ILE A 72 -7.831 -3.882 -2.868 1.00 0.00 C ATOM 1033 CG1 ILE A 72 -6.407 -3.329 -2.623 1.00 0.00 C ATOM 1034 CG2 ILE A 72 -8.814 -2.706 -3.089 1.00 0.00 C ATOM 1035 CD1 ILE A 72 -5.892 -2.342 -3.680 1.00 0.00 C ATOM 0 H ILE A 72 -7.452 -6.622 -2.177 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.287 -4.104 -0.827 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.831 -4.501 -3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.390 -2.836 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.714 -4.169 -2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.472 -2.099 -3.927 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.807 -3.098 -3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.855 -2.092 -2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.887 -2.016 -3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.869 -2.831 -4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.554 -1.477 -3.724 1.00 0.00 H new ATOM 1047 N ASN A 73 -10.607 -5.010 -1.050 1.00 0.00 N ATOM 1048 CA ASN A 73 -11.880 -5.669 -0.779 1.00 0.00 C ATOM 1049 C ASN A 73 -11.635 -7.125 -0.400 1.00 0.00 C ATOM 1050 O ASN A 73 -11.369 -7.387 0.767 1.00 0.00 O ATOM 1051 CB ASN A 73 -12.915 -5.512 -1.901 1.00 0.00 C ATOM 1052 CG ASN A 73 -13.207 -4.080 -2.279 1.00 0.00 C ATOM 1053 OD1 ASN A 73 -13.862 -3.359 -1.529 1.00 0.00 O ATOM 1054 ND2 ASN A 73 -12.766 -3.659 -3.452 1.00 0.00 N ATOM 0 H ASN A 73 -10.500 -4.157 -0.501 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.336 -5.159 0.070 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.560 -6.044 -2.784 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.844 -5.991 -1.592 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.967 -2.708 -3.761 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.225 -4.285 -4.048 1.00 0.00 H new ATOM 1061 N GLU A 74 -11.667 -8.044 -1.362 1.00 0.00 N ATOM 1062 CA GLU A 74 -11.533 -9.485 -1.160 1.00 0.00 C ATOM 1063 C GLU A 74 -10.391 -10.060 -2.010 1.00 0.00 C ATOM 1064 O GLU A 74 -10.185 -11.274 -2.023 1.00 0.00 O ATOM 1065 CB GLU A 74 -12.868 -10.173 -1.530 1.00 0.00 C ATOM 1066 CG GLU A 74 -13.439 -11.013 -0.383 1.00 0.00 C ATOM 1067 CD GLU A 74 -14.290 -10.171 0.566 1.00 0.00 C ATOM 1068 OE1 GLU A 74 -13.732 -9.451 1.429 1.00 0.00 O ATOM 1069 OE2 GLU A 74 -15.535 -10.202 0.449 1.00 0.00 O ATOM 0 H GLU A 74 -11.792 -7.795 -2.343 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.296 -9.673 -0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.596 -9.414 -1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.714 -10.811 -2.400 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.043 -11.823 -0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.622 -11.473 0.173 1.00 0.00 H new ATOM 1076 N VAL A 75 -9.680 -9.218 -2.765 1.00 0.00 N ATOM 1077 CA VAL A 75 -8.859 -9.620 -3.900 1.00 0.00 C ATOM 1078 C VAL A 75 -7.391 -9.412 -3.557 1.00 0.00 C ATOM 1079 O VAL A 75 -7.014 -8.338 -3.083 1.00 0.00 O ATOM 1080 CB VAL A 75 -9.283 -8.791 -5.125 1.00 0.00 C ATOM 1081 CG1 VAL A 75 -8.379 -9.050 -6.331 1.00 0.00 C ATOM 1082 CG2 VAL A 75 -10.728 -9.132 -5.534 1.00 0.00 C ATOM 0 H VAL A 75 -9.662 -8.212 -2.596 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.999 -10.676 -4.131 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.202 -7.744 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.714 -8.445 -7.173 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.352 -8.785 -6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.426 -10.105 -6.601 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.011 -8.536 -6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.795 -10.191 -5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.402 -8.910 -4.707 1.00 0.00 H new ATOM 1092 N CYS A 76 -6.564 -10.428 -3.801 1.00 0.00 N ATOM 1093 CA CYS A 76 -5.136 -10.354 -3.573 1.00 0.00 C ATOM 1094 C CYS A 76 -4.504 -9.507 -4.675 1.00 0.00 C ATOM 1095 O CYS A 76 -4.641 -9.826 -5.858 1.00 0.00 O ATOM 1096 CB CYS A 76 -4.547 -11.768 -3.460 1.00 0.00 C ATOM 1097 SG CYS A 76 -4.567 -12.723 -5.006 1.00 0.00 S ATOM 0 H CYS A 76 -6.876 -11.328 -4.165 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.914 -9.863 -2.625 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -3.518 -11.691 -3.109 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.102 -12.319 -2.701 1.00 0.00 H new ATOM 0 HG CYS A 76 -4.609 -11.909 -6.019 1.00 0.00 H new ATOM 1103 N VAL A 77 -3.801 -8.450 -4.285 1.00 0.00 N ATOM 1104 CA VAL A 77 -3.128 -7.531 -5.202 1.00 0.00 C ATOM 1105 C VAL A 77 -1.612 -7.544 -4.980 1.00 0.00 C ATOM 1106 O VAL A 77 -0.925 -6.662 -5.478 1.00 0.00 O ATOM 1107 CB VAL A 77 -3.735 -6.117 -5.085 1.00 0.00 C ATOM 1108 CG1 VAL A 77 -5.210 -6.085 -5.515 1.00 0.00 C ATOM 1109 CG2 VAL A 77 -3.588 -5.524 -3.678 1.00 0.00 C ATOM 0 H VAL A 77 -3.679 -8.201 -3.303 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.292 -7.868 -6.225 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.160 -5.495 -5.771 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.596 -5.070 -5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.293 -6.405 -6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.789 -6.756 -4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.032 -4.529 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.096 -6.166 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.531 -5.455 -3.421 1.00 0.00 H new ATOM 1119 N LEU A 78 -1.076 -8.511 -4.230 1.00 0.00 N ATOM 1120 CA LEU A 78 0.265 -8.440 -3.653 1.00 0.00 C ATOM 1121 C LEU A 78 1.373 -8.160 -4.679 1.00 0.00 C ATOM 1122 O LEU A 78 2.309 -7.438 -4.337 1.00 0.00 O ATOM 1123 CB LEU A 78 0.499 -9.656 -2.730 1.00 0.00 C ATOM 1124 CG LEU A 78 1.279 -10.863 -3.281 1.00 0.00 C ATOM 1125 CD1 LEU A 78 2.789 -10.637 -3.265 1.00 0.00 C ATOM 1126 CD2 LEU A 78 0.999 -12.109 -2.427 1.00 0.00 C ATOM 0 H LEU A 78 -1.569 -9.375 -4.005 1.00 0.00 H new ATOM 0 HA LEU A 78 0.325 -7.553 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.023 -9.301 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.477 -10.015 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 78 0.945 -10.998 -4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.293 -11.518 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.034 -9.770 -3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.120 -10.462 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.556 -12.957 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.309 -11.923 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.067 -12.333 -2.449 1.00 0.00 H new ATOM 1138 N GLY A 79 1.257 -8.685 -5.907 1.00 0.00 N ATOM 1139 CA GLY A 79 2.158 -8.411 -7.029 1.00 0.00 C ATOM 1140 C GLY A 79 1.446 -7.732 -8.205 1.00 0.00 C ATOM 1141 O GLY A 79 1.946 -7.802 -9.325 1.00 0.00 O ATOM 0 H GLY A 79 0.508 -9.333 -6.152 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.975 -7.775 -6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.603 -9.346 -7.369 1.00 0.00 H new ATOM 1145 N HIS A 80 0.248 -7.164 -8.021 1.00 0.00 N ATOM 1146 CA HIS A 80 -0.495 -6.544 -9.125 1.00 0.00 C ATOM 1147 C HIS A 80 0.256 -5.317 -9.662 1.00 0.00 C ATOM 1148 O HIS A 80 1.164 -4.782 -9.018 1.00 0.00 O ATOM 1149 CB HIS A 80 -1.938 -6.188 -8.707 1.00 0.00 C ATOM 1150 CG HIS A 80 -3.027 -6.884 -9.495 1.00 0.00 C ATOM 1151 ND1 HIS A 80 -4.242 -6.346 -9.861 1.00 0.00 N ATOM 1152 CD2 HIS A 80 -3.003 -8.174 -9.953 1.00 0.00 C ATOM 1153 CE1 HIS A 80 -4.920 -7.280 -10.545 1.00 0.00 C ATOM 1154 NE2 HIS A 80 -4.210 -8.416 -10.624 1.00 0.00 N ATOM 0 H HIS A 80 -0.227 -7.121 -7.119 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.568 -7.273 -9.932 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.064 -6.430 -7.652 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.072 -5.111 -8.805 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -4.568 -5.403 -9.649 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.197 -8.880 -9.821 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.901 -7.137 -10.973 1.00 0.00 H new ATOM 1162 N THR A 81 -0.137 -4.849 -10.846 1.00 0.00 N ATOM 1163 CA THR A 81 0.447 -3.655 -11.421 1.00 0.00 C ATOM 1164 C THR A 81 -0.051 -2.472 -10.585 1.00 0.00 C ATOM 1165 O THR A 81 -1.231 -2.397 -10.222 1.00 0.00 O ATOM 1166 CB THR A 81 0.123 -3.566 -12.929 1.00 0.00 C ATOM 1167 OG1 THR A 81 -1.265 -3.595 -13.165 1.00 0.00 O ATOM 1168 CG2 THR A 81 0.724 -4.746 -13.698 1.00 0.00 C ATOM 0 H THR A 81 -0.859 -5.285 -11.420 1.00 0.00 H new ATOM 0 HA THR A 81 1.536 -3.661 -11.382 1.00 0.00 H new ATOM 0 HB THR A 81 0.549 -2.622 -13.270 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.485 -2.982 -13.897 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.478 -4.654 -14.756 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.807 -4.746 -13.576 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.315 -5.679 -13.310 1.00 0.00 H new ATOM 1176 N HIS A 82 0.833 -1.525 -10.282 1.00 0.00 N ATOM 1177 CA HIS A 82 0.460 -0.228 -9.736 1.00 0.00 C ATOM 1178 C HIS A 82 -0.470 0.511 -10.697 1.00 0.00 C ATOM 1179 O HIS A 82 -1.275 1.318 -10.243 1.00 0.00 O ATOM 1180 CB HIS A 82 1.743 0.545 -9.418 1.00 0.00 C ATOM 1181 CG HIS A 82 1.529 1.742 -8.531 1.00 0.00 C ATOM 1182 ND1 HIS A 82 2.089 2.988 -8.702 1.00 0.00 N ATOM 1183 CD2 HIS A 82 0.787 1.769 -7.381 1.00 0.00 C ATOM 1184 CE1 HIS A 82 1.652 3.757 -7.692 1.00 0.00 C ATOM 1185 NE2 HIS A 82 0.859 3.062 -6.864 1.00 0.00 N ATOM 0 H HIS A 82 1.838 -1.640 -10.411 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.104 -0.341 -8.810 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.452 -0.129 -8.937 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.199 0.874 -10.352 1.00 0.00 H new ATOM 0 HD1 HIS A 82 2.717 3.273 -9.454 1.00 0.00 H new ATOM 0 HD2 HIS A 82 0.244 0.940 -6.952 1.00 0.00 H new ATOM 0 HE1 HIS A 82 1.906 4.799 -7.563 1.00 0.00 H new ATOM 1193 N ALA A 83 -0.438 0.231 -11.999 1.00 0.00 N ATOM 1194 CA ALA A 83 -1.473 0.692 -12.911 1.00 0.00 C ATOM 1195 C ALA A 83 -2.842 0.191 -12.456 1.00 0.00 C ATOM 1196 O ALA A 83 -3.738 1.003 -12.224 1.00 0.00 O ATOM 1197 CB ALA A 83 -1.177 0.218 -14.328 1.00 0.00 C ATOM 0 H ALA A 83 0.299 -0.316 -12.444 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.484 1.782 -12.905 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.959 0.570 -15.000 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.215 0.616 -14.651 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.145 -0.871 -14.348 1.00 0.00 H new ATOM 1203 N ASP A 84 -3.000 -1.128 -12.337 1.00 0.00 N ATOM 1204 CA ASP A 84 -4.248 -1.781 -11.963 1.00 0.00 C ATOM 1205 C ASP A 84 -4.704 -1.311 -10.586 1.00 0.00 C ATOM 1206 O ASP A 84 -5.784 -0.763 -10.464 1.00 0.00 O ATOM 1207 CB ASP A 84 -4.069 -3.300 -12.024 1.00 0.00 C ATOM 1208 CG ASP A 84 -5.341 -4.060 -11.698 1.00 0.00 C ATOM 1209 OD1 ASP A 84 -5.733 -4.114 -10.513 1.00 0.00 O ATOM 1210 OD2 ASP A 84 -5.901 -4.705 -12.607 1.00 0.00 O ATOM 0 H ASP A 84 -2.240 -1.787 -12.504 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.032 -1.506 -12.669 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.730 -3.581 -13.021 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.286 -3.596 -11.326 1.00 0.00 H new ATOM 1215 N VAL A 85 -3.880 -1.414 -9.553 1.00 0.00 N ATOM 1216 CA VAL A 85 -4.177 -0.993 -8.186 1.00 0.00 C ATOM 1217 C VAL A 85 -4.573 0.481 -8.128 1.00 0.00 C ATOM 1218 O VAL A 85 -5.573 0.820 -7.490 1.00 0.00 O ATOM 1219 CB VAL A 85 -2.982 -1.411 -7.299 1.00 0.00 C ATOM 1220 CG1 VAL A 85 -2.806 -0.626 -5.993 1.00 0.00 C ATOM 1221 CG2 VAL A 85 -3.189 -2.895 -6.968 1.00 0.00 C ATOM 0 H VAL A 85 -2.945 -1.810 -9.646 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.060 -1.493 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.074 -1.199 -7.864 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.938 -1.006 -5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.659 0.430 -6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.696 -0.743 -5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.370 -3.245 -6.340 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.133 -3.021 -6.437 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.212 -3.474 -7.891 1.00 0.00 H new ATOM 1231 N VAL A 86 -3.894 1.373 -8.846 1.00 0.00 N ATOM 1232 CA VAL A 86 -4.357 2.750 -8.902 1.00 0.00 C ATOM 1233 C VAL A 86 -5.698 2.834 -9.650 1.00 0.00 C ATOM 1234 O VAL A 86 -6.549 3.625 -9.238 1.00 0.00 O ATOM 1235 CB VAL A 86 -3.242 3.659 -9.443 1.00 0.00 C ATOM 1236 CG1 VAL A 86 -3.749 5.092 -9.652 1.00 0.00 C ATOM 1237 CG2 VAL A 86 -2.063 3.658 -8.438 1.00 0.00 C ATOM 0 H VAL A 86 -3.048 1.173 -9.380 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.572 3.126 -7.902 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.912 3.277 -10.409 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.939 5.712 -10.035 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.571 5.086 -10.368 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.098 5.497 -8.702 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.266 4.300 -8.812 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.407 4.031 -7.473 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.686 2.642 -8.321 1.00 0.00 H new ATOM 1247 N LYS A 87 -5.964 2.007 -10.673 1.00 0.00 N ATOM 1248 CA LYS A 87 -7.266 1.998 -11.330 1.00 0.00 C ATOM 1249 C LYS A 87 -8.330 1.552 -10.336 1.00 0.00 C ATOM 1250 O LYS A 87 -9.433 2.088 -10.329 1.00 0.00 O ATOM 1251 CB LYS A 87 -7.236 1.150 -12.618 1.00 0.00 C ATOM 1252 CG LYS A 87 -8.089 -0.124 -12.536 1.00 0.00 C ATOM 1253 CD LYS A 87 -8.072 -0.972 -13.790 1.00 0.00 C ATOM 1254 CE LYS A 87 -8.775 -0.269 -14.948 1.00 0.00 C ATOM 1255 NZ LYS A 87 -9.121 -1.231 -16.004 1.00 0.00 N ATOM 0 H LYS A 87 -5.293 1.341 -11.057 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.523 3.007 -11.653 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.586 1.759 -13.452 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.205 0.873 -12.837 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.738 -0.728 -11.699 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.119 0.157 -12.316 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.041 -1.192 -14.068 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.560 -1.927 -13.592 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.678 0.223 -14.587 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.129 0.509 -15.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.598 -0.734 -16.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.254 -1.682 -16.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.756 -1.958 -15.617 1.00 0.00 H new ATOM 1269 N LEU A 88 -7.997 0.569 -9.505 1.00 0.00 N ATOM 1270 CA LEU A 88 -8.899 -0.047 -8.559 1.00 0.00 C ATOM 1271 C LEU A 88 -9.346 1.050 -7.611 1.00 0.00 C ATOM 1272 O LEU A 88 -10.544 1.266 -7.456 1.00 0.00 O ATOM 1273 CB LEU A 88 -8.199 -1.216 -7.842 1.00 0.00 C ATOM 1274 CG LEU A 88 -8.027 -2.496 -8.683 1.00 0.00 C ATOM 1275 CD1 LEU A 88 -7.220 -3.523 -7.879 1.00 0.00 C ATOM 1276 CD2 LEU A 88 -9.371 -3.066 -9.145 1.00 0.00 C ATOM 0 H LEU A 88 -7.058 0.172 -9.477 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.773 -0.482 -9.045 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.215 -0.882 -7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.768 -1.464 -6.946 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.479 -2.246 -9.592 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.095 -4.431 -8.469 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.241 -3.109 -7.639 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.750 -3.760 -6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -9.201 -3.967 -9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.981 -3.311 -8.275 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -9.890 -2.326 -9.755 1.00 0.00 H new ATOM 1288 N PHE A 89 -8.398 1.819 -7.074 1.00 0.00 N ATOM 1289 CA PHE A 89 -8.700 2.923 -6.180 1.00 0.00 C ATOM 1290 C PHE A 89 -9.487 4.032 -6.874 1.00 0.00 C ATOM 1291 O PHE A 89 -10.418 4.577 -6.272 1.00 0.00 O ATOM 1292 CB PHE A 89 -7.405 3.476 -5.589 1.00 0.00 C ATOM 1293 CG PHE A 89 -6.740 2.578 -4.563 1.00 0.00 C ATOM 1294 CD1 PHE A 89 -7.425 2.224 -3.384 1.00 0.00 C ATOM 1295 CD2 PHE A 89 -5.415 2.140 -4.750 1.00 0.00 C ATOM 1296 CE1 PHE A 89 -6.754 1.556 -2.353 1.00 0.00 C ATOM 1297 CE2 PHE A 89 -4.761 1.417 -3.740 1.00 0.00 C ATOM 1298 CZ PHE A 89 -5.411 1.182 -2.518 1.00 0.00 C ATOM 0 H PHE A 89 -7.402 1.689 -7.250 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.333 2.539 -5.380 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.701 3.660 -6.401 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.616 4.440 -5.125 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.471 2.469 -3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.900 2.361 -5.673 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.269 1.329 -1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.761 1.043 -3.902 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.877 0.713 -1.704 1.00 0.00 H new ATOM 1308 N GLN A 90 -9.138 4.380 -8.118 1.00 0.00 N ATOM 1309 CA GLN A 90 -9.880 5.353 -8.911 1.00 0.00 C ATOM 1310 C GLN A 90 -11.345 4.925 -9.008 1.00 0.00 C ATOM 1311 O GLN A 90 -12.231 5.743 -8.755 1.00 0.00 O ATOM 1312 CB GLN A 90 -9.258 5.516 -10.307 1.00 0.00 C ATOM 1313 CG GLN A 90 -7.937 6.298 -10.302 1.00 0.00 C ATOM 1314 CD GLN A 90 -8.152 7.802 -10.205 1.00 0.00 C ATOM 1315 OE1 GLN A 90 -8.447 8.326 -9.131 1.00 0.00 O ATOM 1316 NE2 GLN A 90 -8.005 8.532 -11.298 1.00 0.00 N ATOM 0 H GLN A 90 -8.328 3.990 -8.600 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.829 6.323 -8.417 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -9.085 4.529 -10.736 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.970 6.026 -10.956 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.325 5.967 -9.463 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.381 6.071 -11.211 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.760 8.084 -12.181 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.136 9.543 -11.258 1.00 0.00 H new ATOM 1325 N SER A 91 -11.586 3.647 -9.314 1.00 0.00 N ATOM 1326 CA SER A 91 -12.883 3.126 -9.719 1.00 0.00 C ATOM 1327 C SER A 91 -13.962 3.207 -8.640 1.00 0.00 C ATOM 1328 O SER A 91 -15.145 3.082 -8.965 1.00 0.00 O ATOM 1329 CB SER A 91 -12.720 1.701 -10.266 1.00 0.00 C ATOM 1330 OG SER A 91 -12.443 0.719 -9.286 1.00 0.00 O ATOM 0 H SER A 91 -10.860 2.931 -9.284 1.00 0.00 H new ATOM 0 HA SER A 91 -13.250 3.778 -10.511 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.633 1.422 -10.792 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.915 1.698 -11.001 1.00 0.00 H new ATOM 0 HG SER A 91 -11.924 1.121 -8.558 1.00 0.00 H new ATOM 1336 N VAL A 92 -13.588 3.467 -7.388 1.00 0.00 N ATOM 1337 CA VAL A 92 -14.485 3.504 -6.245 1.00 0.00 C ATOM 1338 C VAL A 92 -15.082 4.910 -6.296 1.00 0.00 C ATOM 1339 O VAL A 92 -14.322 5.874 -6.160 1.00 0.00 O ATOM 1340 CB VAL A 92 -13.670 3.286 -4.947 1.00 0.00 C ATOM 1341 CG1 VAL A 92 -14.564 3.186 -3.703 1.00 0.00 C ATOM 1342 CG2 VAL A 92 -12.788 2.039 -5.006 1.00 0.00 C ATOM 0 H VAL A 92 -12.619 3.664 -7.138 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.255 2.733 -6.264 1.00 0.00 H new ATOM 0 HB VAL A 92 -13.036 4.169 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.943 3.033 -2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.135 4.108 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.249 2.346 -3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -12.240 1.936 -4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.412 1.159 -5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -12.082 2.131 -5.831 1.00 0.00 H new ATOM 1352 N PRO A 93 -16.381 5.080 -6.603 1.00 0.00 N ATOM 1353 CA PRO A 93 -16.938 6.414 -6.714 1.00 0.00 C ATOM 1354 C PRO A 93 -17.095 7.022 -5.319 1.00 0.00 C ATOM 1355 O PRO A 93 -17.120 6.305 -4.310 1.00 0.00 O ATOM 1356 CB PRO A 93 -18.259 6.252 -7.465 1.00 0.00 C ATOM 1357 CG PRO A 93 -18.693 4.822 -7.167 1.00 0.00 C ATOM 1358 CD PRO A 93 -17.417 4.071 -6.788 1.00 0.00 C ATOM 0 HA PRO A 93 -16.297 7.105 -7.261 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -19.002 6.972 -7.122 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.130 6.413 -8.535 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.419 4.795 -6.354 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -19.170 4.369 -8.036 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.563 3.494 -5.875 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.136 3.365 -7.570 1.00 0.00 H new ATOM 1366 N ILE A 94 -17.195 8.353 -5.255 1.00 0.00 N ATOM 1367 CA ILE A 94 -17.459 9.066 -4.006 1.00 0.00 C ATOM 1368 C ILE A 94 -18.776 8.510 -3.462 1.00 0.00 C ATOM 1369 O ILE A 94 -19.769 8.443 -4.188 1.00 0.00 O ATOM 1370 CB ILE A 94 -17.472 10.599 -4.215 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -16.122 11.080 -4.799 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -17.734 11.324 -2.879 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -16.117 12.560 -5.196 1.00 0.00 C ATOM 0 H ILE A 94 -17.095 8.963 -6.066 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.666 8.905 -3.276 1.00 0.00 H new ATOM 0 HB ILE A 94 -18.272 10.835 -4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -15.336 10.907 -4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -15.879 10.477 -5.674 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -17.740 12.401 -3.045 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -18.699 11.013 -2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -16.948 11.071 -2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -15.139 12.826 -5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -16.880 12.736 -5.954 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -16.328 13.173 -4.320 1.00 0.00 H new ATOM 1385 N GLY A 95 -18.762 8.063 -2.204 1.00 0.00 N ATOM 1386 CA GLY A 95 -19.917 7.447 -1.568 1.00 0.00 C ATOM 1387 C GLY A 95 -19.844 5.923 -1.480 1.00 0.00 C ATOM 1388 O GLY A 95 -20.784 5.335 -0.959 1.00 0.00 O ATOM 0 H GLY A 95 -17.943 8.121 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.024 7.853 -0.562 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -20.814 7.725 -2.121 1.00 0.00 H new ATOM 1392 N GLN A 96 -18.773 5.257 -1.927 1.00 0.00 N ATOM 1393 CA GLN A 96 -18.565 3.835 -1.633 1.00 0.00 C ATOM 1394 C GLN A 96 -17.372 3.656 -0.708 1.00 0.00 C ATOM 1395 O GLN A 96 -16.547 4.558 -0.577 1.00 0.00 O ATOM 1396 CB GLN A 96 -18.363 3.016 -2.915 1.00 0.00 C ATOM 1397 CG GLN A 96 -19.482 3.176 -3.945 1.00 0.00 C ATOM 1398 CD GLN A 96 -20.877 2.798 -3.465 1.00 0.00 C ATOM 1399 OE1 GLN A 96 -21.091 2.149 -2.438 1.00 0.00 O ATOM 1400 NE2 GLN A 96 -21.866 3.192 -4.237 1.00 0.00 N ATOM 0 H GLN A 96 -18.038 5.680 -2.493 1.00 0.00 H new ATOM 0 HA GLN A 96 -19.463 3.466 -1.138 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -17.418 3.307 -3.374 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -18.277 1.962 -2.650 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -19.500 4.214 -4.277 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -19.240 2.567 -4.816 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -21.671 3.728 -5.083 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -22.829 2.962 -3.990 1.00 0.00 H new ATOM 1409 N SER A 97 -17.234 2.479 -0.109 1.00 0.00 N ATOM 1410 CA SER A 97 -16.108 2.089 0.708 1.00 0.00 C ATOM 1411 C SER A 97 -15.481 0.817 0.148 1.00 0.00 C ATOM 1412 O SER A 97 -16.096 0.108 -0.658 1.00 0.00 O ATOM 1413 CB SER A 97 -16.621 1.892 2.131 1.00 0.00 C ATOM 1414 OG SER A 97 -17.768 1.064 2.164 1.00 0.00 O ATOM 0 H SER A 97 -17.937 1.745 -0.187 1.00 0.00 H new ATOM 0 HA SER A 97 -15.331 2.854 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.835 1.450 2.743 1.00 0.00 H new ATOM 0 HB3 SER A 97 -16.859 2.861 2.569 1.00 0.00 H new ATOM 0 HG SER A 97 -18.068 0.958 3.091 1.00 0.00 H new ATOM 1420 N VAL A 98 -14.266 0.514 0.594 1.00 0.00 N ATOM 1421 CA VAL A 98 -13.522 -0.683 0.239 1.00 0.00 C ATOM 1422 C VAL A 98 -12.836 -1.209 1.492 1.00 0.00 C ATOM 1423 O VAL A 98 -12.479 -0.417 2.363 1.00 0.00 O ATOM 1424 CB VAL A 98 -12.512 -0.363 -0.884 1.00 0.00 C ATOM 1425 CG1 VAL A 98 -13.266 -0.057 -2.173 1.00 0.00 C ATOM 1426 CG2 VAL A 98 -11.577 0.817 -0.576 1.00 0.00 C ATOM 0 H VAL A 98 -13.756 1.120 1.237 1.00 0.00 H new ATOM 0 HA VAL A 98 -14.190 -1.455 -0.144 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.884 -1.248 -0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.554 0.169 -2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.865 -0.922 -2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.920 0.801 -2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.900 0.974 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -12.169 1.718 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.997 0.598 0.321 1.00 0.00 H new ATOM 1436 N ASN A 99 -12.628 -2.523 1.583 1.00 0.00 N ATOM 1437 CA ASN A 99 -11.759 -3.113 2.597 1.00 0.00 C ATOM 1438 C ASN A 99 -10.315 -3.050 2.092 1.00 0.00 C ATOM 1439 O ASN A 99 -10.101 -3.018 0.879 1.00 0.00 O ATOM 1440 CB ASN A 99 -12.172 -4.571 2.864 1.00 0.00 C ATOM 1441 CG ASN A 99 -12.227 -4.834 4.358 1.00 0.00 C ATOM 1442 OD1 ASN A 99 -11.268 -4.588 5.084 1.00 0.00 O ATOM 1443 ND2 ASN A 99 -13.358 -5.291 4.861 1.00 0.00 N ATOM 0 H ASN A 99 -13.057 -3.205 0.957 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.846 -2.561 3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.146 -4.769 2.416 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.461 -5.250 2.394 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.444 -5.444 5.866 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.146 -5.491 4.245 1.00 0.00 H new ATOM 1450 N LEU A 100 -9.331 -3.029 2.991 1.00 0.00 N ATOM 1451 CA LEU A 100 -7.906 -3.037 2.661 1.00 0.00 C ATOM 1452 C LEU A 100 -7.203 -3.826 3.768 1.00 0.00 C ATOM 1453 O LEU A 100 -7.373 -3.468 4.937 1.00 0.00 O ATOM 1454 CB LEU A 100 -7.328 -1.600 2.612 1.00 0.00 C ATOM 1455 CG LEU A 100 -7.980 -0.594 1.634 1.00 0.00 C ATOM 1456 CD1 LEU A 100 -7.633 0.854 2.013 1.00 0.00 C ATOM 1457 CD2 LEU A 100 -7.597 -0.796 0.171 1.00 0.00 C ATOM 0 H LEU A 100 -9.508 -3.005 3.995 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.754 -3.484 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.390 -1.180 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.270 -1.673 2.362 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.049 -0.784 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.105 1.538 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.995 1.063 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.552 0.989 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.099 -0.048 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.518 -0.692 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.900 -1.792 -0.150 1.00 0.00 H new ATOM 1469 N VAL A 101 -6.414 -4.854 3.438 1.00 0.00 N ATOM 1470 CA VAL A 101 -5.522 -5.540 4.386 1.00 0.00 C ATOM 1471 C VAL A 101 -4.111 -5.078 4.094 1.00 0.00 C ATOM 1472 O VAL A 101 -3.680 -5.155 2.936 1.00 0.00 O ATOM 1473 CB VAL A 101 -5.558 -7.073 4.237 1.00 0.00 C ATOM 1474 CG1 VAL A 101 -4.704 -7.825 5.271 1.00 0.00 C ATOM 1475 CG2 VAL A 101 -6.985 -7.636 4.340 1.00 0.00 C ATOM 0 H VAL A 101 -6.375 -5.240 2.494 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.850 -5.298 5.397 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.143 -7.239 3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.784 -8.898 5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.662 -7.518 5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.060 -7.592 6.275 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.957 -8.720 4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.407 -7.382 5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.604 -7.206 3.552 1.00 0.00 H new ATOM 1485 N LEU A 102 -3.387 -4.675 5.142 1.00 0.00 N ATOM 1486 CA LEU A 102 -1.968 -4.405 5.064 1.00 0.00 C ATOM 1487 C LEU A 102 -1.203 -5.348 5.994 1.00 0.00 C ATOM 1488 O LEU A 102 -1.795 -6.018 6.847 1.00 0.00 O ATOM 1489 CB LEU A 102 -1.616 -2.937 5.373 1.00 0.00 C ATOM 1490 CG LEU A 102 -2.391 -1.831 4.631 1.00 0.00 C ATOM 1491 CD1 LEU A 102 -1.726 -0.465 4.814 1.00 0.00 C ATOM 1492 CD2 LEU A 102 -2.401 -2.012 3.127 1.00 0.00 C ATOM 0 H LEU A 102 -3.782 -4.529 6.071 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.666 -4.584 4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.754 -2.780 6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.555 -2.798 5.164 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.394 -1.891 5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.298 0.293 4.278 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.696 -0.214 5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.710 -0.499 4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.963 -1.200 2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.377 -2.003 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.870 -2.964 2.878 1.00 0.00 H new ATOM 1504 N CYS A 103 0.121 -5.363 5.854 1.00 0.00 N ATOM 1505 CA CYS A 103 1.053 -6.076 6.713 1.00 0.00 C ATOM 1506 C CYS A 103 2.142 -5.101 7.182 1.00 0.00 C ATOM 1507 O CYS A 103 2.540 -4.206 6.426 1.00 0.00 O ATOM 1508 CB CYS A 103 1.617 -7.276 5.939 1.00 0.00 C ATOM 1509 SG CYS A 103 2.518 -8.387 7.052 1.00 0.00 S ATOM 0 H CYS A 103 0.590 -4.855 5.104 1.00 0.00 H new ATOM 0 HA CYS A 103 0.561 -6.464 7.605 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.804 -7.818 5.455 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.282 -6.926 5.149 1.00 0.00 H new ATOM 0 HG CYS A 103 1.823 -9.469 7.241 1.00 0.00 H new ATOM 1515 N ARG A 104 2.605 -5.272 8.427 1.00 0.00 N ATOM 1516 CA ARG A 104 3.423 -4.315 9.164 1.00 0.00 C ATOM 1517 C ARG A 104 4.723 -4.922 9.671 1.00 0.00 C ATOM 1518 O ARG A 104 4.665 -5.841 10.496 1.00 0.00 O ATOM 1519 CB ARG A 104 2.607 -3.832 10.363 1.00 0.00 C ATOM 1520 CG ARG A 104 3.247 -2.589 10.997 1.00 0.00 C ATOM 1521 CD ARG A 104 2.227 -1.868 11.876 1.00 0.00 C ATOM 1522 NE ARG A 104 1.211 -1.226 11.033 1.00 0.00 N ATOM 1523 CZ ARG A 104 0.211 -0.457 11.465 1.00 0.00 C ATOM 1524 NH1 ARG A 104 -0.156 -0.475 12.741 1.00 0.00 N ATOM 1525 NH2 ARG A 104 -0.429 0.323 10.613 1.00 0.00 N ATOM 0 H ARG A 104 2.409 -6.116 8.965 1.00 0.00 H new ATOM 0 HA ARG A 104 3.688 -3.501 8.489 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.590 -3.601 10.046 1.00 0.00 H new ATOM 0 HB3 ARG A 104 2.537 -4.628 11.104 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.112 -2.879 11.593 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.607 -1.917 10.218 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.754 -2.576 12.556 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.727 -1.121 12.492 1.00 0.00 H new ATOM 0 HE ARG A 104 1.276 -1.382 10.027 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.329 -1.082 13.403 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.922 0.118 13.060 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.158 0.335 9.630 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.195 0.913 10.938 1.00 0.00 H new ATOM 1539 N GLY A 105 5.865 -4.344 9.304 1.00 0.00 N ATOM 1540 CA GLY A 105 7.175 -4.655 9.860 1.00 0.00 C ATOM 1541 C GLY A 105 8.327 -4.396 8.888 1.00 0.00 C ATOM 1542 O GLY A 105 9.461 -4.166 9.332 1.00 0.00 O ATOM 0 H GLY A 105 5.902 -3.621 8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.329 -4.061 10.761 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.193 -5.702 10.162 1.00 0.00 H new ATOM 1546 N TYR A 106 8.065 -4.438 7.579 1.00 0.00 N ATOM 1547 CA TYR A 106 9.069 -4.199 6.547 1.00 0.00 C ATOM 1548 C TYR A 106 9.441 -2.709 6.480 1.00 0.00 C ATOM 1549 O TYR A 106 8.651 -1.862 6.913 1.00 0.00 O ATOM 1550 CB TYR A 106 8.524 -4.688 5.197 1.00 0.00 C ATOM 1551 CG TYR A 106 8.552 -6.196 5.039 1.00 0.00 C ATOM 1552 CD1 TYR A 106 9.733 -6.832 4.611 1.00 0.00 C ATOM 1553 CD2 TYR A 106 7.396 -6.961 5.278 1.00 0.00 C ATOM 1554 CE1 TYR A 106 9.755 -8.220 4.399 1.00 0.00 C ATOM 1555 CE2 TYR A 106 7.414 -8.353 5.086 1.00 0.00 C ATOM 1556 CZ TYR A 106 8.593 -8.987 4.627 1.00 0.00 C ATOM 1557 OH TYR A 106 8.629 -10.333 4.431 1.00 0.00 O ATOM 0 H TYR A 106 7.138 -4.642 7.205 1.00 0.00 H new ATOM 0 HA TYR A 106 9.977 -4.751 6.791 1.00 0.00 H new ATOM 0 HB2 TYR A 106 7.498 -4.338 5.081 1.00 0.00 H new ATOM 0 HB3 TYR A 106 9.107 -4.236 4.395 1.00 0.00 H new ATOM 0 HD1 TYR A 106 10.627 -6.249 4.445 1.00 0.00 H new ATOM 0 HD2 TYR A 106 6.490 -6.476 5.611 1.00 0.00 H new ATOM 0 HE1 TYR A 106 10.661 -8.700 4.061 1.00 0.00 H new ATOM 0 HE2 TYR A 106 6.529 -8.938 5.288 1.00 0.00 H new ATOM 0 HH TYR A 106 7.846 -10.746 4.851 1.00 0.00 H new ATOM 1567 N PRO A 107 10.628 -2.374 5.935 1.00 0.00 N ATOM 1568 CA PRO A 107 11.023 -0.996 5.680 1.00 0.00 C ATOM 1569 C PRO A 107 10.249 -0.397 4.503 1.00 0.00 C ATOM 1570 O PRO A 107 9.471 -1.069 3.824 1.00 0.00 O ATOM 1571 CB PRO A 107 12.522 -1.043 5.386 1.00 0.00 C ATOM 1572 CG PRO A 107 12.734 -2.436 4.803 1.00 0.00 C ATOM 1573 CD PRO A 107 11.667 -3.291 5.477 1.00 0.00 C ATOM 0 HA PRO A 107 10.801 -0.358 6.536 1.00 0.00 H new ATOM 0 HB2 PRO A 107 12.816 -0.265 4.681 1.00 0.00 H new ATOM 0 HB3 PRO A 107 13.112 -0.894 6.290 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.618 -2.436 3.719 1.00 0.00 H new ATOM 0 HG3 PRO A 107 13.736 -2.809 5.016 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.259 -4.022 4.780 1.00 0.00 H new ATOM 0 HD3 PRO A 107 12.088 -3.849 6.313 1.00 0.00 H new ATOM 1581 N LEU A 108 10.484 0.888 4.255 1.00 0.00 N ATOM 1582 CA LEU A 108 9.922 1.624 3.125 1.00 0.00 C ATOM 1583 C LEU A 108 10.602 1.161 1.820 1.00 0.00 C ATOM 1584 O LEU A 108 11.710 0.624 1.857 1.00 0.00 O ATOM 1585 CB LEU A 108 10.102 3.135 3.380 1.00 0.00 C ATOM 1586 CG LEU A 108 9.222 3.620 4.555 1.00 0.00 C ATOM 1587 CD1 LEU A 108 9.965 4.610 5.455 1.00 0.00 C ATOM 1588 CD2 LEU A 108 7.922 4.242 4.040 1.00 0.00 C ATOM 0 H LEU A 108 11.085 1.461 4.848 1.00 0.00 H new ATOM 0 HA LEU A 108 8.855 1.425 3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.149 3.346 3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 108 9.845 3.690 2.478 1.00 0.00 H new ATOM 0 HG LEU A 108 8.979 2.744 5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 108 9.310 4.925 6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 108 10.852 4.130 5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 108 10.263 5.480 4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.319 4.576 4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 108 8.154 5.094 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.365 3.500 3.468 1.00 0.00 H new ATOM 1600 N PRO A 109 9.979 1.371 0.647 1.00 0.00 N ATOM 1601 CA PRO A 109 10.520 0.949 -0.654 1.00 0.00 C ATOM 1602 C PRO A 109 11.549 1.917 -1.239 1.00 0.00 C ATOM 1603 O PRO A 109 12.213 1.643 -2.242 1.00 0.00 O ATOM 1604 CB PRO A 109 9.297 0.953 -1.554 1.00 0.00 C ATOM 1605 CG PRO A 109 8.443 2.092 -1.022 1.00 0.00 C ATOM 1606 CD PRO A 109 8.664 1.971 0.480 1.00 0.00 C ATOM 0 HA PRO A 109 11.038 -0.006 -0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 109 9.571 1.115 -2.597 1.00 0.00 H new ATOM 0 HB3 PRO A 109 8.766 0.002 -1.508 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.766 3.059 -1.406 1.00 0.00 H new ATOM 0 HG3 PRO A 109 7.393 1.976 -1.292 1.00 0.00 H new ATOM 0 HD2 PRO A 109 8.618 2.948 0.961 1.00 0.00 H new ATOM 0 HD3 PRO A 109 7.892 1.353 0.939 1.00 0.00 H new