USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=24 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 Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 175:sc= 1.23 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+ -175:sc= 1.16 (180deg=1.07) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.203 K(o=-0.2,f=-2.6!) USER MOD Single : A 30 MET CE :methyl 178:sc= 0 (180deg=-0.0118) USER MOD Single : A 35 THR OG1 : rot -21:sc= 0.195 USER MOD Single : A 47 GLN : amide:sc= 0.883 K(o=0.88,f=-0.59) USER MOD Single : A 49 LYS NZ :NH3+ 151:sc= 1.14 (180deg=0.528) USER MOD Single : A 50 SER OG : rot -7:sc= 0.574 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -155:sc= 1.22 (180deg=0.565) USER MOD Single : A 63 MET CE :methyl -143:sc= -2.3 (180deg=-3.48!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.262 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.321 K(o=-0.32,f=-4.1!) USER MOD Single : A 76 CYS SG : rot 180:sc= 0.12 USER MOD Single : A 80 HIS : no HE2:sc= 0.796 K(o=0.8,f=-3.1!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0924 USER MOD Single : A 82 HIS : no HD1:sc=-0.00647 X(o=-0.0065,f=-0.0035) USER MOD Single : A 87 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.415) USER MOD Single : A 90 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.2!) USER MOD Single : A 91 SER OG : rot -60:sc= 1.25 USER MOD Single : A 96 GLN : amide:sc= -0.0762 K(o=-0.076,f=-0.73) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 103 CYS SG : rot 117:sc= 0.707 USER MOD Single : A 106 TYR OH : rot 130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 9 9.496 -14.724 -4.177 1.00 0.00 N ATOM 86 CA PHE A 9 8.189 -14.056 -4.138 1.00 0.00 C ATOM 87 C PHE A 9 7.206 -14.806 -3.214 1.00 0.00 C ATOM 88 O PHE A 9 7.391 -15.991 -2.913 1.00 0.00 O ATOM 89 CB PHE A 9 7.661 -13.937 -5.586 1.00 0.00 C ATOM 90 CG PHE A 9 6.225 -13.469 -5.769 1.00 0.00 C ATOM 91 CD1 PHE A 9 5.168 -14.396 -5.637 1.00 0.00 C ATOM 92 CD2 PHE A 9 5.927 -12.127 -6.097 1.00 0.00 C ATOM 93 CE1 PHE A 9 3.847 -13.987 -5.824 1.00 0.00 C ATOM 94 CE2 PHE A 9 4.584 -11.717 -6.221 1.00 0.00 C ATOM 95 CZ PHE A 9 3.555 -12.655 -6.063 1.00 0.00 C ATOM 0 HA PHE A 9 8.291 -13.056 -3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 9 8.311 -13.249 -6.127 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.761 -14.912 -6.063 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.383 -15.425 -5.390 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.726 -11.417 -6.252 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.049 -14.713 -5.782 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.349 -10.685 -6.437 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.525 -12.336 -6.128 1.00 0.00 H new ATOM 105 N THR A 10 6.126 -14.134 -2.804 1.00 0.00 N ATOM 106 CA THR A 10 5.066 -14.699 -1.979 1.00 0.00 C ATOM 107 C THR A 10 4.155 -15.662 -2.771 1.00 0.00 C ATOM 108 O THR A 10 4.594 -16.750 -3.124 1.00 0.00 O ATOM 109 CB THR A 10 4.316 -13.549 -1.280 1.00 0.00 C ATOM 110 OG1 THR A 10 5.162 -12.583 -0.694 1.00 0.00 O ATOM 111 CG2 THR A 10 3.410 -14.060 -0.156 1.00 0.00 C ATOM 0 H THR A 10 5.965 -13.156 -3.046 1.00 0.00 H new ATOM 0 HA THR A 10 5.499 -15.332 -1.204 1.00 0.00 H new ATOM 0 HB THR A 10 3.743 -13.090 -2.086 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.619 -11.885 -0.272 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.899 -13.218 0.311 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.672 -14.748 -0.568 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.013 -14.578 0.590 1.00 0.00 H new ATOM 119 N ARG A 11 2.896 -15.262 -3.008 1.00 0.00 N ATOM 120 CA ARG A 11 1.720 -15.887 -3.632 1.00 0.00 C ATOM 121 C ARG A 11 0.480 -15.637 -2.774 1.00 0.00 C ATOM 122 O ARG A 11 -0.491 -15.103 -3.288 1.00 0.00 O ATOM 123 CB ARG A 11 1.883 -17.378 -3.971 1.00 0.00 C ATOM 124 CG ARG A 11 2.613 -17.567 -5.320 1.00 0.00 C ATOM 125 CD ARG A 11 3.658 -18.700 -5.302 1.00 0.00 C ATOM 126 NE ARG A 11 3.455 -19.742 -6.327 1.00 0.00 N ATOM 127 CZ ARG A 11 3.524 -19.621 -7.657 1.00 0.00 C ATOM 128 NH1 ARG A 11 3.752 -18.444 -8.217 1.00 0.00 N ATOM 129 NH2 ARG A 11 3.403 -20.701 -8.424 1.00 0.00 N ATOM 0 H ARG A 11 2.639 -14.321 -2.710 1.00 0.00 H new ATOM 0 HA ARG A 11 1.600 -15.404 -4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.443 -17.875 -3.179 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.903 -17.853 -4.015 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.877 -17.775 -6.096 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.106 -16.633 -5.591 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.648 -18.265 -5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.648 -19.170 -4.319 1.00 0.00 H new ATOM 0 HE ARG A 11 3.234 -20.674 -5.976 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.877 -17.617 -7.633 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.803 -18.364 -9.233 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.258 -21.616 -7.997 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.455 -20.614 -9.439 1.00 0.00 H new ATOM 143 N ASP A 12 0.537 -15.944 -1.475 1.00 0.00 N ATOM 144 CA ASP A 12 -0.649 -16.051 -0.604 1.00 0.00 C ATOM 145 C ASP A 12 -0.578 -15.166 0.650 1.00 0.00 C ATOM 146 O ASP A 12 -1.139 -15.497 1.690 1.00 0.00 O ATOM 147 CB ASP A 12 -0.770 -17.518 -0.189 1.00 0.00 C ATOM 148 CG ASP A 12 -2.076 -17.852 0.541 1.00 0.00 C ATOM 149 OD1 ASP A 12 -3.136 -17.242 0.268 1.00 0.00 O ATOM 150 OD2 ASP A 12 -2.047 -18.798 1.362 1.00 0.00 O ATOM 0 H ASP A 12 1.414 -16.128 -0.988 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.517 -15.701 -1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.692 -18.144 -1.078 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.071 -17.773 0.456 1.00 0.00 H new ATOM 155 N ALA A 13 0.231 -14.102 0.634 1.00 0.00 N ATOM 156 CA ALA A 13 0.617 -13.274 1.782 1.00 0.00 C ATOM 157 C ALA A 13 1.378 -14.026 2.903 1.00 0.00 C ATOM 158 O ALA A 13 2.004 -13.389 3.748 1.00 0.00 O ATOM 159 CB ALA A 13 -0.612 -12.516 2.292 1.00 0.00 C ATOM 0 H ALA A 13 0.660 -13.776 -0.232 1.00 0.00 H new ATOM 0 HA ALA A 13 1.359 -12.558 1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.331 -11.899 3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.003 -11.880 1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.378 -13.229 2.597 1.00 0.00 H new ATOM 165 N SER A 14 1.416 -15.361 2.879 1.00 0.00 N ATOM 166 CA SER A 14 1.889 -16.223 3.953 1.00 0.00 C ATOM 167 C SER A 14 3.376 -16.008 4.271 1.00 0.00 C ATOM 168 O SER A 14 3.796 -16.163 5.418 1.00 0.00 O ATOM 169 CB SER A 14 1.570 -17.671 3.536 1.00 0.00 C ATOM 170 OG SER A 14 2.116 -18.643 4.407 1.00 0.00 O ATOM 0 H SER A 14 1.101 -15.891 2.067 1.00 0.00 H new ATOM 0 HA SER A 14 1.381 -15.981 4.886 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.488 -17.799 3.494 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.950 -17.843 2.529 1.00 0.00 H new ATOM 0 HG SER A 14 1.877 -19.539 4.089 1.00 0.00 H new ATOM 176 N GLN A 15 4.182 -15.649 3.267 1.00 0.00 N ATOM 177 CA GLN A 15 5.619 -15.419 3.453 1.00 0.00 C ATOM 178 C GLN A 15 5.947 -14.124 4.198 1.00 0.00 C ATOM 179 O GLN A 15 7.125 -13.913 4.515 1.00 0.00 O ATOM 180 CB GLN A 15 6.333 -15.375 2.095 1.00 0.00 C ATOM 181 CG GLN A 15 6.571 -16.762 1.502 1.00 0.00 C ATOM 182 CD GLN A 15 7.970 -17.294 1.851 1.00 0.00 C ATOM 183 OE1 GLN A 15 8.430 -17.205 2.989 1.00 0.00 O ATOM 184 NE2 GLN A 15 8.698 -17.813 0.874 1.00 0.00 N ATOM 0 H GLN A 15 3.860 -15.510 2.309 1.00 0.00 H new ATOM 0 HA GLN A 15 5.967 -16.253 4.062 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.739 -14.784 1.397 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.290 -14.866 2.210 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.815 -17.453 1.875 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.457 -16.720 0.419 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.312 -17.884 -0.067 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.645 -18.141 1.063 1.00 0.00 H new ATOM 193 N LEU A 16 4.991 -13.211 4.401 1.00 0.00 N ATOM 194 CA LEU A 16 5.324 -11.915 4.977 1.00 0.00 C ATOM 195 C LEU A 16 5.718 -12.082 6.440 1.00 0.00 C ATOM 196 O LEU A 16 5.152 -12.900 7.169 1.00 0.00 O ATOM 197 CB LEU A 16 4.166 -10.915 4.867 1.00 0.00 C ATOM 198 CG LEU A 16 3.736 -10.551 3.432 1.00 0.00 C ATOM 199 CD1 LEU A 16 2.784 -9.363 3.524 1.00 0.00 C ATOM 200 CD2 LEU A 16 4.899 -10.168 2.509 1.00 0.00 C ATOM 0 H LEU A 16 4.004 -13.345 4.179 1.00 0.00 H new ATOM 0 HA LEU A 16 6.162 -11.514 4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.304 -11.325 5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.450 -9.999 5.386 1.00 0.00 H new ATOM 0 HG LEU A 16 3.274 -11.437 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.459 -9.079 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.916 -9.638 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.296 -8.522 3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.513 -9.926 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.418 -9.301 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.594 -11.004 2.433 1.00 0.00 H new ATOM 212 N LYS A 17 6.663 -11.252 6.879 1.00 0.00 N ATOM 213 CA LYS A 17 6.894 -10.955 8.274 1.00 0.00 C ATOM 214 C LYS A 17 6.149 -9.669 8.565 1.00 0.00 C ATOM 215 O LYS A 17 6.149 -8.766 7.725 1.00 0.00 O ATOM 216 CB LYS A 17 8.398 -10.756 8.496 1.00 0.00 C ATOM 217 CG LYS A 17 9.192 -12.060 8.374 1.00 0.00 C ATOM 218 CD LYS A 17 8.851 -13.071 9.473 1.00 0.00 C ATOM 219 CE LYS A 17 9.648 -14.341 9.202 1.00 0.00 C ATOM 220 NZ LYS A 17 9.309 -15.433 10.134 1.00 0.00 N ATOM 0 H LYS A 17 7.300 -10.760 6.252 1.00 0.00 H new ATOM 0 HA LYS A 17 6.552 -11.758 8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.776 -10.036 7.770 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.561 -10.327 9.485 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.996 -12.509 7.401 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.258 -11.835 8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.099 -12.667 10.454 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.782 -13.285 9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.463 -14.670 8.180 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.713 -14.121 9.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.879 -16.273 9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.510 -15.132 11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.299 -15.665 10.044 1.00 0.00 H new ATOM 234 N GLY A 18 5.561 -9.579 9.750 1.00 0.00 N ATOM 235 CA GLY A 18 4.804 -8.412 10.154 1.00 0.00 C ATOM 236 C GLY A 18 3.561 -8.764 10.954 1.00 0.00 C ATOM 237 O GLY A 18 3.322 -9.939 11.264 1.00 0.00 O ATOM 0 H GLY A 18 5.598 -10.315 10.455 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.442 -7.760 10.751 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.512 -7.849 9.267 1.00 0.00 H new ATOM 241 N THR A 19 2.742 -7.756 11.252 1.00 0.00 N ATOM 242 CA THR A 19 1.404 -7.942 11.792 1.00 0.00 C ATOM 243 C THR A 19 0.438 -7.624 10.666 1.00 0.00 C ATOM 244 O THR A 19 0.541 -6.573 10.040 1.00 0.00 O ATOM 245 CB THR A 19 1.192 -6.998 12.975 1.00 0.00 C ATOM 246 OG1 THR A 19 2.133 -7.302 13.984 1.00 0.00 O ATOM 247 CG2 THR A 19 -0.216 -7.056 13.573 1.00 0.00 C ATOM 0 H THR A 19 2.996 -6.777 11.122 1.00 0.00 H new ATOM 0 HA THR A 19 1.250 -8.959 12.153 1.00 0.00 H new ATOM 0 HB THR A 19 1.326 -5.987 12.591 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.003 -6.698 14.745 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.286 -6.358 14.407 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.947 -6.785 12.811 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.419 -8.066 13.928 1.00 0.00 H new ATOM 255 N PHE A 20 -0.495 -8.530 10.420 1.00 0.00 N ATOM 256 CA PHE A 20 -1.585 -8.321 9.483 1.00 0.00 C ATOM 257 C PHE A 20 -2.663 -7.491 10.162 1.00 0.00 C ATOM 258 O PHE A 20 -3.042 -7.781 11.304 1.00 0.00 O ATOM 259 CB PHE A 20 -2.150 -9.666 9.031 1.00 0.00 C ATOM 260 CG PHE A 20 -1.432 -10.193 7.815 1.00 0.00 C ATOM 261 CD1 PHE A 20 -0.250 -10.947 7.938 1.00 0.00 C ATOM 262 CD2 PHE A 20 -1.951 -9.895 6.546 1.00 0.00 C ATOM 263 CE1 PHE A 20 0.441 -11.351 6.783 1.00 0.00 C ATOM 264 CE2 PHE A 20 -1.272 -10.321 5.399 1.00 0.00 C ATOM 265 CZ PHE A 20 -0.054 -11.004 5.515 1.00 0.00 C ATOM 0 H PHE A 20 -0.516 -9.444 10.873 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.222 -7.791 8.602 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.066 -10.387 9.844 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.212 -9.558 8.808 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.124 -11.214 8.915 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.872 -9.338 6.455 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.350 -11.927 6.870 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.688 -10.123 4.422 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.505 -11.264 4.628 1.00 0.00 H new ATOM 275 N LEU A 21 -3.166 -6.475 9.467 1.00 0.00 N ATOM 276 CA LEU A 21 -4.235 -5.591 9.919 1.00 0.00 C ATOM 277 C LEU A 21 -5.090 -5.194 8.722 1.00 0.00 C ATOM 278 O LEU A 21 -4.773 -5.545 7.585 1.00 0.00 O ATOM 279 CB LEU A 21 -3.731 -4.331 10.658 1.00 0.00 C ATOM 280 CG LEU A 21 -2.233 -4.207 10.964 1.00 0.00 C ATOM 281 CD1 LEU A 21 -1.431 -3.843 9.709 1.00 0.00 C ATOM 282 CD2 LEU A 21 -2.037 -3.128 12.025 1.00 0.00 C ATOM 0 H LEU A 21 -2.826 -6.236 8.536 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.824 -6.147 10.649 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.021 -3.463 10.066 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.268 -4.266 11.604 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.871 -5.170 11.324 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.374 -3.763 9.963 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.565 -4.618 8.954 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.783 -2.889 9.317 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.975 -3.030 12.252 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.418 -2.177 11.652 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.577 -3.405 12.930 1.00 0.00 H new ATOM 294 N SER A 22 -6.183 -4.477 8.969 1.00 0.00 N ATOM 295 CA SER A 22 -7.108 -4.089 7.920 1.00 0.00 C ATOM 296 C SER A 22 -7.802 -2.779 8.274 1.00 0.00 C ATOM 297 O SER A 22 -7.849 -2.397 9.445 1.00 0.00 O ATOM 298 CB SER A 22 -8.116 -5.229 7.719 1.00 0.00 C ATOM 299 OG SER A 22 -8.935 -5.421 8.863 1.00 0.00 O ATOM 0 H SER A 22 -6.447 -4.152 9.899 1.00 0.00 H new ATOM 0 HA SER A 22 -6.571 -3.919 6.987 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.744 -5.010 6.856 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.580 -6.152 7.497 1.00 0.00 H new ATOM 0 HG SER A 22 -9.564 -6.153 8.696 1.00 0.00 H new ATOM 305 N THR A 23 -8.405 -2.129 7.287 1.00 0.00 N ATOM 306 CA THR A 23 -9.335 -1.041 7.514 1.00 0.00 C ATOM 307 C THR A 23 -10.286 -0.954 6.320 1.00 0.00 C ATOM 308 O THR A 23 -9.995 -1.425 5.218 1.00 0.00 O ATOM 309 CB THR A 23 -8.596 0.278 7.827 1.00 0.00 C ATOM 310 OG1 THR A 23 -9.560 1.286 8.029 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.613 0.719 6.738 1.00 0.00 C ATOM 0 H THR A 23 -8.259 -2.347 6.301 1.00 0.00 H new ATOM 0 HA THR A 23 -9.937 -1.235 8.402 1.00 0.00 H new ATOM 0 HB THR A 23 -7.993 0.106 8.719 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.115 2.114 8.306 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.136 1.653 7.035 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.852 -0.050 6.602 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.150 0.868 5.801 1.00 0.00 H new ATOM 319 N THR A 24 -11.443 -0.347 6.547 1.00 0.00 N ATOM 320 CA THR A 24 -12.374 0.077 5.524 1.00 0.00 C ATOM 321 C THR A 24 -12.410 1.601 5.604 1.00 0.00 C ATOM 322 O THR A 24 -12.770 2.143 6.653 1.00 0.00 O ATOM 323 CB THR A 24 -13.740 -0.574 5.790 1.00 0.00 C ATOM 324 OG1 THR A 24 -13.624 -1.980 5.788 1.00 0.00 O ATOM 325 CG2 THR A 24 -14.776 -0.199 4.736 1.00 0.00 C ATOM 0 H THR A 24 -11.767 -0.130 7.490 1.00 0.00 H new ATOM 0 HA THR A 24 -12.084 -0.227 4.518 1.00 0.00 H new ATOM 0 HB THR A 24 -14.068 -0.207 6.763 1.00 0.00 H new ATOM 0 HG1 THR A 24 -14.501 -2.381 5.960 1.00 0.00 H new ATOM 0 HG21 THR A 24 -15.724 -0.684 4.969 1.00 0.00 H new ATOM 0 HG22 THR A 24 -14.914 0.882 4.730 1.00 0.00 H new ATOM 0 HG23 THR A 24 -14.432 -0.527 3.755 1.00 0.00 H new ATOM 333 N LEU A 25 -12.007 2.298 4.534 1.00 0.00 N ATOM 334 CA LEU A 25 -12.177 3.746 4.445 1.00 0.00 C ATOM 335 C LEU A 25 -13.409 4.013 3.594 1.00 0.00 C ATOM 336 O LEU A 25 -13.583 3.382 2.539 1.00 0.00 O ATOM 337 CB LEU A 25 -10.990 4.465 3.785 1.00 0.00 C ATOM 338 CG LEU A 25 -9.575 4.284 4.369 1.00 0.00 C ATOM 339 CD1 LEU A 25 -8.741 5.500 3.983 1.00 0.00 C ATOM 340 CD2 LEU A 25 -9.532 4.142 5.895 1.00 0.00 C ATOM 0 H LEU A 25 -11.561 1.878 3.719 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.263 4.127 5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.956 4.150 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.211 5.532 3.789 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.187 3.352 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.734 5.393 4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.691 5.577 2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.201 6.401 4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.499 4.019 6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.953 5.036 6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.113 3.270 6.196 1.00 0.00 H new ATOM 352 N LYS A 26 -14.233 4.980 3.996 1.00 0.00 N ATOM 353 CA LYS A 26 -15.318 5.481 3.155 1.00 0.00 C ATOM 354 C LYS A 26 -14.751 6.650 2.354 1.00 0.00 C ATOM 355 O LYS A 26 -14.071 7.510 2.919 1.00 0.00 O ATOM 356 CB LYS A 26 -16.533 5.864 4.018 1.00 0.00 C ATOM 357 CG LYS A 26 -17.796 6.116 3.171 1.00 0.00 C ATOM 358 CD LYS A 26 -18.982 6.609 4.012 1.00 0.00 C ATOM 359 CE LYS A 26 -19.657 5.515 4.856 1.00 0.00 C ATOM 360 NZ LYS A 26 -20.744 4.814 4.135 1.00 0.00 N ATOM 0 H LYS A 26 -14.168 5.435 4.907 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.684 4.722 2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -16.732 5.068 4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.299 6.760 4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.571 6.853 2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -18.076 5.195 2.660 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -18.637 7.402 4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -19.725 7.050 3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -18.906 4.788 5.165 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -20.061 5.962 5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -21.160 4.089 4.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -21.478 5.499 3.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -20.359 4.361 3.282 1.00 0.00 H new ATOM 374 N LYS A 27 -14.942 6.654 1.034 1.00 0.00 N ATOM 375 CA LYS A 27 -14.470 7.690 0.124 1.00 0.00 C ATOM 376 C LYS A 27 -15.089 9.011 0.574 1.00 0.00 C ATOM 377 O LYS A 27 -16.279 9.239 0.342 1.00 0.00 O ATOM 378 CB LYS A 27 -14.825 7.335 -1.334 1.00 0.00 C ATOM 379 CG LYS A 27 -13.828 7.961 -2.330 1.00 0.00 C ATOM 380 CD LYS A 27 -12.654 7.043 -2.598 1.00 0.00 C ATOM 381 CE LYS A 27 -11.861 7.328 -3.873 1.00 0.00 C ATOM 382 NZ LYS A 27 -12.525 8.043 -4.980 1.00 0.00 N ATOM 0 H LYS A 27 -15.448 5.908 0.556 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.384 7.776 0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.829 6.252 -1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -15.833 7.684 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.339 8.181 -3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.465 8.910 -1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.972 7.099 -1.749 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.022 6.018 -2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.979 7.903 -3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.508 6.373 -4.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.886 8.084 -5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.396 7.541 -5.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.761 9.009 -4.677 1.00 0.00 H new ATOM 396 N SER A 28 -14.290 9.845 1.228 1.00 0.00 N ATOM 397 CA SER A 28 -14.705 11.068 1.883 1.00 0.00 C ATOM 398 C SER A 28 -13.781 12.191 1.405 1.00 0.00 C ATOM 399 O SER A 28 -12.734 11.909 0.810 1.00 0.00 O ATOM 400 CB SER A 28 -14.692 10.860 3.402 1.00 0.00 C ATOM 401 OG SER A 28 -15.331 11.941 4.045 1.00 0.00 O ATOM 0 H SER A 28 -13.288 9.674 1.317 1.00 0.00 H new ATOM 0 HA SER A 28 -15.726 11.348 1.626 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.197 9.927 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.665 10.772 3.756 1.00 0.00 H new ATOM 0 HG SER A 28 -15.319 11.798 5.014 1.00 0.00 H new ATOM 407 N ASN A 29 -14.177 13.441 1.664 1.00 0.00 N ATOM 408 CA ASN A 29 -13.663 14.713 1.147 1.00 0.00 C ATOM 409 C ASN A 29 -13.400 14.691 -0.361 1.00 0.00 C ATOM 410 O ASN A 29 -14.162 15.292 -1.115 1.00 0.00 O ATOM 411 CB ASN A 29 -12.451 15.209 1.955 1.00 0.00 C ATOM 412 CG ASN A 29 -12.158 16.695 1.754 1.00 0.00 C ATOM 413 OD1 ASN A 29 -12.361 17.250 0.673 1.00 0.00 O ATOM 414 ND2 ASN A 29 -11.711 17.378 2.794 1.00 0.00 N ATOM 0 H ASN A 29 -14.949 13.604 2.311 1.00 0.00 H new ATOM 0 HA ASN A 29 -14.459 15.445 1.287 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.627 15.021 3.014 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.572 14.631 1.670 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.530 18.378 2.708 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.548 16.905 3.683 1.00 0.00 H new ATOM 421 N MET A 30 -12.340 14.011 -0.803 1.00 0.00 N ATOM 422 CA MET A 30 -11.811 14.034 -2.159 1.00 0.00 C ATOM 423 C MET A 30 -11.288 12.663 -2.637 1.00 0.00 C ATOM 424 O MET A 30 -10.741 12.590 -3.742 1.00 0.00 O ATOM 425 CB MET A 30 -10.744 15.148 -2.253 1.00 0.00 C ATOM 426 CG MET A 30 -9.687 15.087 -1.140 1.00 0.00 C ATOM 427 SD MET A 30 -8.297 16.242 -1.288 1.00 0.00 S ATOM 428 CE MET A 30 -9.140 17.838 -1.101 1.00 0.00 C ATOM 0 H MET A 30 -11.803 13.399 -0.189 1.00 0.00 H new ATOM 0 HA MET A 30 -12.627 14.259 -2.846 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.245 15.080 -3.220 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.240 16.118 -2.218 1.00 0.00 H new ATOM 0 HG2 MET A 30 -10.183 15.269 -0.187 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.287 14.074 -1.103 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.406 18.643 -1.135 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.858 17.967 -1.911 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.663 17.863 -0.145 1.00 0.00 H new ATOM 438 N GLY A 31 -11.449 11.561 -1.881 1.00 0.00 N ATOM 439 CA GLY A 31 -10.840 10.271 -2.195 1.00 0.00 C ATOM 440 C GLY A 31 -10.465 9.504 -0.930 1.00 0.00 C ATOM 441 O GLY A 31 -11.339 9.254 -0.091 1.00 0.00 O ATOM 0 H GLY A 31 -12.011 11.549 -1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.533 9.676 -2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.950 10.427 -2.804 1.00 0.00 H new ATOM 445 N PHE A 32 -9.201 9.081 -0.824 1.00 0.00 N ATOM 446 CA PHE A 32 -8.646 8.464 0.375 1.00 0.00 C ATOM 447 C PHE A 32 -7.484 9.303 0.878 1.00 0.00 C ATOM 448 O PHE A 32 -6.729 9.860 0.080 1.00 0.00 O ATOM 449 CB PHE A 32 -8.189 7.014 0.150 1.00 0.00 C ATOM 450 CG PHE A 32 -9.169 6.116 -0.569 1.00 0.00 C ATOM 451 CD1 PHE A 32 -10.151 5.461 0.183 1.00 0.00 C ATOM 452 CD2 PHE A 32 -9.063 5.869 -1.952 1.00 0.00 C ATOM 453 CE1 PHE A 32 -10.996 4.528 -0.421 1.00 0.00 C ATOM 454 CE2 PHE A 32 -9.934 4.952 -2.571 1.00 0.00 C ATOM 455 CZ PHE A 32 -10.896 4.274 -1.801 1.00 0.00 C ATOM 0 H PHE A 32 -8.527 9.161 -1.585 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.442 8.427 1.119 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.258 7.031 -0.417 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.963 6.570 1.120 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.256 5.678 1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.314 6.383 -2.537 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.728 4.000 0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.864 4.770 -3.633 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.557 3.559 -2.269 1.00 0.00 H new ATOM 465 N GLY A 33 -7.306 9.360 2.195 1.00 0.00 N ATOM 466 CA GLY A 33 -6.275 10.171 2.827 1.00 0.00 C ATOM 467 C GLY A 33 -4.936 9.447 2.878 1.00 0.00 C ATOM 468 O GLY A 33 -4.226 9.566 3.869 1.00 0.00 O ATOM 0 H GLY A 33 -7.880 8.839 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.162 11.106 2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.586 10.430 3.839 1.00 0.00 H new ATOM 472 N PHE A 34 -4.585 8.662 1.861 1.00 0.00 N ATOM 473 CA PHE A 34 -3.289 8.012 1.770 1.00 0.00 C ATOM 474 C PHE A 34 -2.912 7.871 0.307 1.00 0.00 C ATOM 475 O PHE A 34 -3.733 8.076 -0.588 1.00 0.00 O ATOM 476 CB PHE A 34 -3.292 6.651 2.480 1.00 0.00 C ATOM 477 CG PHE A 34 -4.077 5.551 1.785 1.00 0.00 C ATOM 478 CD1 PHE A 34 -5.470 5.488 1.948 1.00 0.00 C ATOM 479 CD2 PHE A 34 -3.424 4.547 1.046 1.00 0.00 C ATOM 480 CE1 PHE A 34 -6.219 4.441 1.398 1.00 0.00 C ATOM 481 CE2 PHE A 34 -4.173 3.487 0.497 1.00 0.00 C ATOM 482 CZ PHE A 34 -5.568 3.420 0.680 1.00 0.00 C ATOM 0 H PHE A 34 -5.201 8.461 1.073 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.544 8.626 2.276 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.260 6.319 2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.698 6.785 3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.973 6.262 2.508 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.355 4.589 0.900 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.291 4.417 1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.672 2.717 -0.071 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.132 2.594 0.274 1.00 0.00 H new ATOM 492 N THR A 35 -1.661 7.502 0.073 1.00 0.00 N ATOM 493 CA THR A 35 -1.093 7.329 -1.248 1.00 0.00 C ATOM 494 C THR A 35 -0.369 5.998 -1.288 1.00 0.00 C ATOM 495 O THR A 35 0.084 5.505 -0.254 1.00 0.00 O ATOM 496 CB THR A 35 -0.164 8.510 -1.567 1.00 0.00 C ATOM 497 OG1 THR A 35 0.730 8.802 -0.504 1.00 0.00 O ATOM 498 CG2 THR A 35 -0.998 9.751 -1.861 1.00 0.00 C ATOM 0 H THR A 35 -0.996 7.310 0.823 1.00 0.00 H new ATOM 0 HA THR A 35 -1.871 7.318 -2.012 1.00 0.00 H new ATOM 0 HB THR A 35 0.430 8.224 -2.435 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.373 8.438 0.333 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.337 10.588 -2.087 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.647 9.559 -2.716 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.607 9.994 -0.991 1.00 0.00 H new ATOM 506 N ILE A 36 -0.246 5.420 -2.477 1.00 0.00 N ATOM 507 CA ILE A 36 0.397 4.143 -2.708 1.00 0.00 C ATOM 508 C ILE A 36 1.605 4.382 -3.625 1.00 0.00 C ATOM 509 O ILE A 36 1.710 5.437 -4.272 1.00 0.00 O ATOM 510 CB ILE A 36 -0.670 3.156 -3.241 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.937 3.156 -2.345 1.00 0.00 C ATOM 512 CG2 ILE A 36 -0.129 1.722 -3.244 1.00 0.00 C ATOM 513 CD1 ILE A 36 -3.072 4.087 -2.787 1.00 0.00 C ATOM 0 H ILE A 36 -0.605 5.846 -3.332 1.00 0.00 H new ATOM 0 HA ILE A 36 0.797 3.681 -1.805 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.918 3.483 -4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.325 2.139 -2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.642 3.431 -1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.895 1.045 -3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.752 1.667 -3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.141 1.433 -2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.904 4.004 -2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.713 5.116 -2.803 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.407 3.804 -3.785 1.00 0.00 H new ATOM 525 N ILE A 37 2.534 3.431 -3.627 1.00 0.00 N ATOM 526 CA ILE A 37 3.691 3.347 -4.505 1.00 0.00 C ATOM 527 C ILE A 37 3.643 1.970 -5.191 1.00 0.00 C ATOM 528 O ILE A 37 2.927 1.070 -4.749 1.00 0.00 O ATOM 529 CB ILE A 37 4.988 3.657 -3.703 1.00 0.00 C ATOM 530 CG1 ILE A 37 6.240 3.458 -4.574 1.00 0.00 C ATOM 531 CG2 ILE A 37 5.097 2.886 -2.376 1.00 0.00 C ATOM 532 CD1 ILE A 37 7.509 4.096 -4.015 1.00 0.00 C ATOM 0 H ILE A 37 2.494 2.650 -2.973 1.00 0.00 H new ATOM 0 HA ILE A 37 3.683 4.097 -5.296 1.00 0.00 H new ATOM 0 HB ILE A 37 4.923 4.709 -3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.412 2.389 -4.702 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.047 3.870 -5.564 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.027 3.155 -1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.252 3.142 -1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.089 1.815 -2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 37 8.341 3.906 -4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.362 5.171 -3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.732 3.667 -3.038 1.00 0.00 H new ATOM 544 N GLY A 38 4.378 1.818 -6.291 1.00 0.00 N ATOM 545 CA GLY A 38 4.609 0.556 -6.969 1.00 0.00 C ATOM 546 C GLY A 38 6.102 0.437 -7.206 1.00 0.00 C ATOM 547 O GLY A 38 6.775 1.466 -7.340 1.00 0.00 O ATOM 0 H GLY A 38 4.844 2.603 -6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.249 -0.276 -6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.066 0.523 -7.914 1.00 0.00 H new ATOM 551 N GLY A 39 6.599 -0.795 -7.241 1.00 0.00 N ATOM 552 CA GLY A 39 8.020 -1.069 -7.291 1.00 0.00 C ATOM 553 C GLY A 39 8.631 -0.700 -8.632 1.00 0.00 C ATOM 554 O GLY A 39 9.497 0.174 -8.672 1.00 0.00 O ATOM 0 H GLY A 39 6.018 -1.633 -7.235 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.523 -0.513 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.191 -2.128 -7.095 1.00 0.00 H new ATOM 558 N ASP A 40 8.180 -1.378 -9.691 1.00 0.00 N ATOM 559 CA ASP A 40 8.326 -1.052 -11.109 1.00 0.00 C ATOM 560 C ASP A 40 7.791 -2.214 -11.947 1.00 0.00 C ATOM 561 O ASP A 40 6.995 -1.996 -12.861 1.00 0.00 O ATOM 562 CB ASP A 40 9.762 -0.727 -11.566 1.00 0.00 C ATOM 563 CG ASP A 40 9.817 0.638 -12.252 1.00 0.00 C ATOM 564 OD1 ASP A 40 8.968 0.906 -13.134 1.00 0.00 O ATOM 565 OD2 ASP A 40 10.724 1.443 -11.939 1.00 0.00 O ATOM 0 H ASP A 40 7.658 -2.245 -9.565 1.00 0.00 H new ATOM 0 HA ASP A 40 7.754 -0.136 -11.258 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.432 -0.735 -10.707 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.114 -1.498 -12.251 1.00 0.00 H new ATOM 570 N GLU A 41 8.208 -3.448 -11.651 1.00 0.00 N ATOM 571 CA GLU A 41 7.844 -4.668 -12.384 1.00 0.00 C ATOM 572 C GLU A 41 6.566 -5.330 -11.826 1.00 0.00 C ATOM 573 O GLU A 41 6.208 -5.072 -10.670 1.00 0.00 O ATOM 574 CB GLU A 41 9.038 -5.642 -12.316 1.00 0.00 C ATOM 575 CG GLU A 41 10.051 -5.362 -13.437 1.00 0.00 C ATOM 576 CD GLU A 41 9.570 -5.932 -14.777 1.00 0.00 C ATOM 577 OE1 GLU A 41 8.777 -5.255 -15.470 1.00 0.00 O ATOM 578 OE2 GLU A 41 9.985 -7.040 -15.172 1.00 0.00 O ATOM 0 H GLU A 41 8.832 -3.634 -10.866 1.00 0.00 H new ATOM 0 HA GLU A 41 7.622 -4.405 -13.418 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.530 -5.551 -11.347 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.678 -6.668 -12.396 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.205 -4.287 -13.531 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.014 -5.801 -13.177 1.00 0.00 H new ATOM 585 N PRO A 42 5.877 -6.206 -12.592 1.00 0.00 N ATOM 586 CA PRO A 42 4.691 -6.958 -12.157 1.00 0.00 C ATOM 587 C PRO A 42 5.092 -8.128 -11.231 1.00 0.00 C ATOM 588 O PRO A 42 4.771 -9.294 -11.480 1.00 0.00 O ATOM 589 CB PRO A 42 4.028 -7.412 -13.467 1.00 0.00 C ATOM 590 CG PRO A 42 5.223 -7.662 -14.380 1.00 0.00 C ATOM 591 CD PRO A 42 6.185 -6.545 -13.980 1.00 0.00 C ATOM 0 HA PRO A 42 3.998 -6.367 -11.558 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.430 -8.313 -13.327 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.363 -6.648 -13.870 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.657 -8.649 -14.219 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.948 -7.603 -15.433 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.220 -6.871 -14.079 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.062 -5.677 -14.627 1.00 0.00 H new ATOM 599 N ASP A 43 5.871 -7.819 -10.198 1.00 0.00 N ATOM 600 CA ASP A 43 6.547 -8.757 -9.291 1.00 0.00 C ATOM 601 C ASP A 43 7.076 -8.030 -8.044 1.00 0.00 C ATOM 602 O ASP A 43 7.790 -8.614 -7.233 1.00 0.00 O ATOM 603 CB ASP A 43 7.729 -9.432 -10.010 1.00 0.00 C ATOM 604 CG ASP A 43 8.192 -10.720 -9.322 1.00 0.00 C ATOM 605 OD1 ASP A 43 7.416 -11.703 -9.274 1.00 0.00 O ATOM 606 OD2 ASP A 43 9.396 -10.835 -8.986 1.00 0.00 O ATOM 0 H ASP A 43 6.062 -6.848 -9.952 1.00 0.00 H new ATOM 0 HA ASP A 43 5.819 -9.508 -8.986 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.441 -9.658 -11.037 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.564 -8.733 -10.060 1.00 0.00 H new ATOM 611 N GLU A 44 6.793 -6.732 -7.892 1.00 0.00 N ATOM 612 CA GLU A 44 7.246 -5.945 -6.751 1.00 0.00 C ATOM 613 C GLU A 44 6.090 -5.762 -5.782 1.00 0.00 C ATOM 614 O GLU A 44 4.922 -5.776 -6.176 1.00 0.00 O ATOM 615 CB GLU A 44 7.754 -4.570 -7.193 1.00 0.00 C ATOM 616 CG GLU A 44 9.099 -4.595 -7.924 1.00 0.00 C ATOM 617 CD GLU A 44 10.239 -4.390 -6.931 1.00 0.00 C ATOM 618 OE1 GLU A 44 10.529 -5.365 -6.194 1.00 0.00 O ATOM 619 OE2 GLU A 44 10.743 -3.250 -6.806 1.00 0.00 O ATOM 0 H GLU A 44 6.240 -6.199 -8.563 1.00 0.00 H new ATOM 0 HA GLU A 44 8.067 -6.477 -6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.009 -4.114 -7.845 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.844 -3.930 -6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.223 -5.547 -8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.123 -3.814 -8.684 1.00 0.00 H new ATOM 626 N PHE A 45 6.427 -5.554 -4.517 1.00 0.00 N ATOM 627 CA PHE A 45 5.470 -5.393 -3.432 1.00 0.00 C ATOM 628 C PHE A 45 5.021 -3.922 -3.383 1.00 0.00 C ATOM 629 O PHE A 45 5.841 -3.012 -3.545 1.00 0.00 O ATOM 630 CB PHE A 45 6.139 -5.887 -2.139 1.00 0.00 C ATOM 631 CG PHE A 45 6.523 -7.352 -2.153 1.00 0.00 C ATOM 632 CD1 PHE A 45 5.547 -8.322 -1.874 1.00 0.00 C ATOM 633 CD2 PHE A 45 7.837 -7.755 -2.463 1.00 0.00 C ATOM 634 CE1 PHE A 45 5.875 -9.685 -1.966 1.00 0.00 C ATOM 635 CE2 PHE A 45 8.164 -9.120 -2.524 1.00 0.00 C ATOM 636 CZ PHE A 45 7.181 -10.091 -2.283 1.00 0.00 C ATOM 0 H PHE A 45 7.397 -5.491 -4.209 1.00 0.00 H new ATOM 0 HA PHE A 45 4.566 -5.985 -3.576 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.033 -5.291 -1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.462 -5.709 -1.303 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.549 -8.022 -1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.596 -7.011 -2.655 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.113 -10.430 -1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.174 -9.422 -2.757 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.426 -11.141 -2.341 1.00 0.00 H new ATOM 646 N LEU A 46 3.723 -3.670 -3.191 1.00 0.00 N ATOM 647 CA LEU A 46 3.075 -2.349 -3.230 1.00 0.00 C ATOM 648 C LEU A 46 2.986 -1.789 -1.804 1.00 0.00 C ATOM 649 O LEU A 46 2.268 -2.379 -0.998 1.00 0.00 O ATOM 650 CB LEU A 46 1.636 -2.532 -3.752 1.00 0.00 C ATOM 651 CG LEU A 46 1.485 -2.956 -5.225 1.00 0.00 C ATOM 652 CD1 LEU A 46 0.241 -3.833 -5.356 1.00 0.00 C ATOM 653 CD2 LEU A 46 1.302 -1.758 -6.158 1.00 0.00 C ATOM 0 H LEU A 46 3.059 -4.418 -2.994 1.00 0.00 H new ATOM 0 HA LEU A 46 3.646 -1.675 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.140 -3.278 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.101 -1.593 -3.611 1.00 0.00 H new ATOM 0 HG LEU A 46 2.396 -3.484 -5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.121 -4.141 -6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.350 -4.716 -4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.637 -3.269 -5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.200 -2.109 -7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.406 -1.208 -5.872 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.170 -1.103 -6.083 1.00 0.00 H new ATOM 665 N GLN A 47 3.678 -0.709 -1.419 1.00 0.00 N ATOM 666 CA GLN A 47 3.530 -0.152 -0.056 1.00 0.00 C ATOM 667 C GLN A 47 2.613 1.071 -0.055 1.00 0.00 C ATOM 668 O GLN A 47 2.453 1.741 -1.078 1.00 0.00 O ATOM 669 CB GLN A 47 4.881 0.186 0.608 1.00 0.00 C ATOM 670 CG GLN A 47 5.783 -1.045 0.698 1.00 0.00 C ATOM 671 CD GLN A 47 7.039 -0.797 1.526 1.00 0.00 C ATOM 672 OE1 GLN A 47 8.132 -0.626 0.995 1.00 0.00 O ATOM 673 NE2 GLN A 47 6.915 -0.756 2.843 1.00 0.00 N ATOM 0 H GLN A 47 4.336 -0.207 -2.015 1.00 0.00 H new ATOM 0 HA GLN A 47 3.070 -0.938 0.543 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.384 0.966 0.036 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.707 0.585 1.607 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.221 -1.870 1.136 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.071 -1.353 -0.307 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.002 -0.899 3.274 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.733 -0.581 3.427 1.00 0.00 H new ATOM 682 N VAL A 48 2.013 1.403 1.095 1.00 0.00 N ATOM 683 CA VAL A 48 1.475 2.741 1.304 1.00 0.00 C ATOM 684 C VAL A 48 2.657 3.719 1.197 1.00 0.00 C ATOM 685 O VAL A 48 3.586 3.646 1.997 1.00 0.00 O ATOM 686 CB VAL A 48 0.754 2.769 2.673 1.00 0.00 C ATOM 687 CG1 VAL A 48 0.546 4.171 3.258 1.00 0.00 C ATOM 688 CG2 VAL A 48 -0.619 2.094 2.543 1.00 0.00 C ATOM 0 H VAL A 48 1.892 0.767 1.883 1.00 0.00 H new ATOM 0 HA VAL A 48 0.732 3.033 0.562 1.00 0.00 H new ATOM 0 HB VAL A 48 1.412 2.236 3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.034 4.093 4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.513 4.653 3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.057 4.766 2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.127 2.114 3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.219 2.628 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.487 1.060 2.223 1.00 0.00 H new ATOM 698 N LYS A 49 2.666 4.609 0.200 1.00 0.00 N ATOM 699 CA LYS A 49 3.705 5.623 0.027 1.00 0.00 C ATOM 700 C LYS A 49 3.724 6.533 1.250 1.00 0.00 C ATOM 701 O LYS A 49 4.769 6.739 1.861 1.00 0.00 O ATOM 702 CB LYS A 49 3.466 6.427 -1.263 1.00 0.00 C ATOM 703 CG LYS A 49 4.599 7.436 -1.506 1.00 0.00 C ATOM 704 CD LYS A 49 4.313 8.419 -2.646 1.00 0.00 C ATOM 705 CE LYS A 49 4.440 7.788 -4.039 1.00 0.00 C ATOM 706 NZ LYS A 49 3.171 7.824 -4.797 1.00 0.00 N ATOM 0 H LYS A 49 1.942 4.644 -0.517 1.00 0.00 H new ATOM 0 HA LYS A 49 4.677 5.138 -0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.394 5.746 -2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.514 6.954 -1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.776 7.998 -0.589 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.517 6.892 -1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.306 8.820 -2.527 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.002 9.261 -2.572 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.211 8.313 -4.603 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.769 6.754 -3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.376 7.865 -5.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.618 6.968 -4.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.625 8.665 -4.520 1.00 0.00 H new ATOM 720 N SER A 50 2.581 7.128 1.586 1.00 0.00 N ATOM 721 CA SER A 50 2.384 7.864 2.815 1.00 0.00 C ATOM 722 C SER A 50 0.898 7.969 3.113 1.00 0.00 C ATOM 723 O SER A 50 0.073 8.002 2.195 1.00 0.00 O ATOM 724 CB SER A 50 2.913 9.290 2.693 1.00 0.00 C ATOM 725 OG SER A 50 4.251 9.384 2.243 1.00 0.00 O ATOM 0 H SER A 50 1.752 7.106 0.992 1.00 0.00 H new ATOM 0 HA SER A 50 2.916 7.332 3.604 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.273 9.844 2.007 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.835 9.777 3.665 1.00 0.00 H new ATOM 0 HG SER A 50 4.643 8.487 2.194 1.00 0.00 H new ATOM 731 N VAL A 51 0.577 8.121 4.388 1.00 0.00 N ATOM 732 CA VAL A 51 -0.699 8.635 4.853 1.00 0.00 C ATOM 733 C VAL A 51 -0.608 10.170 4.774 1.00 0.00 C ATOM 734 O VAL A 51 0.416 10.760 5.146 1.00 0.00 O ATOM 735 CB VAL A 51 -0.975 8.102 6.275 1.00 0.00 C ATOM 736 CG1 VAL A 51 -2.367 8.548 6.745 1.00 0.00 C ATOM 737 CG2 VAL A 51 -0.941 6.562 6.325 1.00 0.00 C ATOM 0 H VAL A 51 1.215 7.883 5.148 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.540 8.305 4.244 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.194 8.504 6.920 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.551 8.167 7.749 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.416 9.637 6.756 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.123 8.158 6.064 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.140 6.227 7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.701 6.159 5.655 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.042 6.209 6.012 1.00 0.00 H new ATOM 747 N ILE A 52 -1.634 10.816 4.220 1.00 0.00 N ATOM 748 CA ILE A 52 -1.829 12.249 4.213 1.00 0.00 C ATOM 749 C ILE A 52 -2.337 12.653 5.599 1.00 0.00 C ATOM 750 O ILE A 52 -3.258 12.012 6.115 1.00 0.00 O ATOM 751 CB ILE A 52 -2.837 12.581 3.088 1.00 0.00 C ATOM 752 CG1 ILE A 52 -2.096 12.691 1.749 1.00 0.00 C ATOM 753 CG2 ILE A 52 -3.648 13.869 3.313 1.00 0.00 C ATOM 754 CD1 ILE A 52 -1.339 11.454 1.264 1.00 0.00 C ATOM 0 H ILE A 52 -2.386 10.319 3.741 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.911 12.803 4.015 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.555 11.761 3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.822 12.964 0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.385 13.514 1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.328 14.022 2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.222 13.781 4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.969 14.718 3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.863 11.671 0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.578 11.183 1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.036 10.625 1.142 1.00 0.00 H new ATOM 766 N PRO A 53 -1.796 13.729 6.191 1.00 0.00 N ATOM 767 CA PRO A 53 -2.296 14.229 7.454 1.00 0.00 C ATOM 768 C PRO A 53 -3.718 14.757 7.255 1.00 0.00 C ATOM 769 O PRO A 53 -4.041 15.345 6.216 1.00 0.00 O ATOM 770 CB PRO A 53 -1.323 15.340 7.856 1.00 0.00 C ATOM 771 CG PRO A 53 -0.813 15.874 6.522 1.00 0.00 C ATOM 772 CD PRO A 53 -0.783 14.622 5.647 1.00 0.00 C ATOM 0 HA PRO A 53 -2.350 13.467 8.231 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.821 16.118 8.435 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.509 14.956 8.471 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.474 16.638 6.113 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.175 16.325 6.618 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.997 14.868 4.607 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.201 14.155 5.668 1.00 0.00 H new ATOM 780 N ASP A 54 -4.542 14.625 8.294 1.00 0.00 N ATOM 781 CA ASP A 54 -5.846 15.284 8.395 1.00 0.00 C ATOM 782 C ASP A 54 -6.836 14.802 7.316 1.00 0.00 C ATOM 783 O ASP A 54 -7.765 15.525 6.948 1.00 0.00 O ATOM 784 CB ASP A 54 -5.633 16.810 8.417 1.00 0.00 C ATOM 785 CG ASP A 54 -6.723 17.581 9.152 1.00 0.00 C ATOM 786 OD1 ASP A 54 -6.748 17.465 10.401 1.00 0.00 O ATOM 787 OD2 ASP A 54 -7.418 18.405 8.508 1.00 0.00 O ATOM 0 H ASP A 54 -4.319 14.047 9.104 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.326 15.001 9.332 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.672 17.025 8.885 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.576 17.173 7.391 1.00 0.00 H new ATOM 792 N GLY A 55 -6.641 13.587 6.780 1.00 0.00 N ATOM 793 CA GLY A 55 -7.523 12.924 5.813 1.00 0.00 C ATOM 794 C GLY A 55 -8.283 11.737 6.428 1.00 0.00 C ATOM 795 O GLY A 55 -8.027 11.372 7.575 1.00 0.00 O ATOM 0 H GLY A 55 -5.829 13.018 7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.239 13.648 5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.932 12.574 4.967 1.00 0.00 H new ATOM 799 N PRO A 56 -9.186 11.069 5.684 1.00 0.00 N ATOM 800 CA PRO A 56 -10.051 10.010 6.211 1.00 0.00 C ATOM 801 C PRO A 56 -9.310 8.696 6.487 1.00 0.00 C ATOM 802 O PRO A 56 -9.872 7.804 7.118 1.00 0.00 O ATOM 803 CB PRO A 56 -11.135 9.797 5.147 1.00 0.00 C ATOM 804 CG PRO A 56 -10.458 10.222 3.846 1.00 0.00 C ATOM 805 CD PRO A 56 -9.466 11.297 4.278 1.00 0.00 C ATOM 0 HA PRO A 56 -10.456 10.312 7.177 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.458 8.757 5.108 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.020 10.399 5.352 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.953 9.383 3.367 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.181 10.611 3.129 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.552 11.239 3.687 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -9.883 12.292 4.123 1.00 0.00 H new ATOM 813 N ALA A 57 -8.070 8.547 6.008 1.00 0.00 N ATOM 814 CA ALA A 57 -7.206 7.448 6.421 1.00 0.00 C ATOM 815 C ALA A 57 -6.647 7.762 7.807 1.00 0.00 C ATOM 816 O ALA A 57 -6.767 6.946 8.718 1.00 0.00 O ATOM 817 CB ALA A 57 -6.084 7.248 5.399 1.00 0.00 C ATOM 0 H ALA A 57 -7.645 9.180 5.330 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.774 6.519 6.470 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.444 6.425 5.717 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.516 7.017 4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.492 8.160 5.326 1.00 0.00 H new ATOM 823 N ALA A 58 -6.084 8.963 7.965 1.00 0.00 N ATOM 824 CA ALA A 58 -5.559 9.445 9.227 1.00 0.00 C ATOM 825 C ALA A 58 -6.650 9.400 10.298 1.00 0.00 C ATOM 826 O ALA A 58 -6.440 8.757 11.317 1.00 0.00 O ATOM 827 CB ALA A 58 -4.961 10.845 9.045 1.00 0.00 C ATOM 0 H ALA A 58 -5.983 9.632 7.202 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.752 8.796 9.567 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.569 11.200 9.998 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.154 10.804 8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.734 11.528 8.694 1.00 0.00 H new ATOM 833 N GLN A 59 -7.813 10.022 10.075 1.00 0.00 N ATOM 834 CA GLN A 59 -8.895 10.057 11.064 1.00 0.00 C ATOM 835 C GLN A 59 -9.561 8.688 11.293 1.00 0.00 C ATOM 836 O GLN A 59 -10.298 8.533 12.267 1.00 0.00 O ATOM 837 CB GLN A 59 -9.965 11.092 10.669 1.00 0.00 C ATOM 838 CG GLN A 59 -9.484 12.547 10.755 1.00 0.00 C ATOM 839 CD GLN A 59 -10.659 13.526 10.817 1.00 0.00 C ATOM 840 OE1 GLN A 59 -11.141 13.899 11.884 1.00 0.00 O ATOM 841 NE2 GLN A 59 -11.174 13.993 9.697 1.00 0.00 N ATOM 0 H GLN A 59 -8.030 10.513 9.208 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.427 10.347 12.005 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.295 10.888 9.650 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.833 10.968 11.316 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.858 12.672 11.639 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.863 12.777 9.889 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.792 13.699 8.798 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.955 14.649 9.729 1.00 0.00 H new ATOM 850 N ASP A 60 -9.367 7.690 10.422 1.00 0.00 N ATOM 851 CA ASP A 60 -9.741 6.309 10.749 1.00 0.00 C ATOM 852 C ASP A 60 -8.785 5.761 11.803 1.00 0.00 C ATOM 853 O ASP A 60 -9.215 5.052 12.710 1.00 0.00 O ATOM 854 CB ASP A 60 -9.701 5.419 9.510 1.00 0.00 C ATOM 855 CG ASP A 60 -9.802 3.937 9.852 1.00 0.00 C ATOM 856 OD1 ASP A 60 -10.840 3.474 10.381 1.00 0.00 O ATOM 857 OD2 ASP A 60 -8.802 3.237 9.572 1.00 0.00 O ATOM 0 H ASP A 60 -8.958 7.811 9.495 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.760 6.311 11.135 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.520 5.692 8.844 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.774 5.601 8.966 1.00 0.00 H new ATOM 862 N GLY A 61 -7.501 6.100 11.700 1.00 0.00 N ATOM 863 CA GLY A 61 -6.498 5.893 12.731 1.00 0.00 C ATOM 864 C GLY A 61 -5.584 4.708 12.445 1.00 0.00 C ATOM 865 O GLY A 61 -4.423 4.739 12.861 1.00 0.00 O ATOM 0 H GLY A 61 -7.121 6.543 10.863 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.894 6.795 12.828 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.996 5.738 13.688 1.00 0.00 H new ATOM 869 N LYS A 62 -6.054 3.678 11.729 1.00 0.00 N ATOM 870 CA LYS A 62 -5.383 2.368 11.797 1.00 0.00 C ATOM 871 C LYS A 62 -4.341 2.152 10.705 1.00 0.00 C ATOM 872 O LYS A 62 -3.583 1.184 10.767 1.00 0.00 O ATOM 873 CB LYS A 62 -6.378 1.196 11.817 1.00 0.00 C ATOM 874 CG LYS A 62 -7.414 1.251 12.947 1.00 0.00 C ATOM 875 CD LYS A 62 -8.730 1.818 12.433 1.00 0.00 C ATOM 876 CE LYS A 62 -9.718 2.136 13.549 1.00 0.00 C ATOM 877 NZ LYS A 62 -11.039 2.439 12.966 1.00 0.00 N ATOM 0 H LYS A 62 -6.868 3.718 11.115 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.851 2.387 12.748 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.903 1.168 10.862 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.819 0.264 11.901 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.574 0.251 13.351 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.039 1.868 13.763 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.530 2.725 11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.184 1.103 11.746 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.796 1.290 14.232 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.363 2.985 14.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.577 3.043 13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.913 2.935 12.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.559 1.553 12.806 1.00 0.00 H new ATOM 891 N MET A 63 -4.298 2.988 9.676 1.00 0.00 N ATOM 892 CA MET A 63 -3.282 2.927 8.637 1.00 0.00 C ATOM 893 C MET A 63 -2.120 3.812 9.050 1.00 0.00 C ATOM 894 O MET A 63 -2.318 4.892 9.613 1.00 0.00 O ATOM 895 CB MET A 63 -3.903 3.406 7.331 1.00 0.00 C ATOM 896 CG MET A 63 -3.041 3.215 6.086 1.00 0.00 C ATOM 897 SD MET A 63 -3.753 3.989 4.610 1.00 0.00 S ATOM 898 CE MET A 63 -5.493 3.446 4.633 1.00 0.00 C ATOM 0 H MET A 63 -4.977 3.737 9.539 1.00 0.00 H new ATOM 0 HA MET A 63 -2.913 1.911 8.497 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.846 2.880 7.183 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.140 4.465 7.429 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.051 3.633 6.268 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.908 2.149 5.903 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.830 3.260 3.613 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.581 2.530 5.217 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.111 4.223 5.083 1.00 0.00 H new ATOM 908 N GLU A 64 -0.913 3.389 8.706 1.00 0.00 N ATOM 909 CA GLU A 64 0.305 4.165 8.857 1.00 0.00 C ATOM 910 C GLU A 64 1.138 3.993 7.593 1.00 0.00 C ATOM 911 O GLU A 64 0.723 3.334 6.636 1.00 0.00 O ATOM 912 CB GLU A 64 1.060 3.783 10.143 1.00 0.00 C ATOM 913 CG GLU A 64 0.397 4.397 11.385 1.00 0.00 C ATOM 914 CD GLU A 64 1.351 4.381 12.583 1.00 0.00 C ATOM 915 OE1 GLU A 64 1.905 3.300 12.889 1.00 0.00 O ATOM 916 OE2 GLU A 64 1.617 5.456 13.172 1.00 0.00 O ATOM 0 H GLU A 64 -0.751 2.467 8.301 1.00 0.00 H new ATOM 0 HA GLU A 64 0.071 5.223 8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.087 2.698 10.242 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.093 4.123 10.075 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.095 5.422 11.171 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.509 3.842 11.630 1.00 0.00 H new ATOM 923 N THR A 65 2.285 4.661 7.564 1.00 0.00 N ATOM 924 CA THR A 65 3.239 4.569 6.480 1.00 0.00 C ATOM 925 C THR A 65 4.265 3.491 6.868 1.00 0.00 C ATOM 926 O THR A 65 4.539 3.310 8.057 1.00 0.00 O ATOM 927 CB THR A 65 3.836 5.971 6.274 1.00 0.00 C ATOM 928 OG1 THR A 65 2.807 6.954 6.182 1.00 0.00 O ATOM 929 CG2 THR A 65 4.644 6.011 4.990 1.00 0.00 C ATOM 0 H THR A 65 2.578 5.292 8.310 1.00 0.00 H new ATOM 0 HA THR A 65 2.804 4.268 5.527 1.00 0.00 H new ATOM 0 HB THR A 65 4.473 6.187 7.131 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.210 7.838 6.053 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.062 7.008 4.854 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.453 5.283 5.047 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.998 5.770 4.146 1.00 0.00 H new ATOM 937 N GLY A 66 4.836 2.784 5.892 1.00 0.00 N ATOM 938 CA GLY A 66 5.585 1.553 6.123 1.00 0.00 C ATOM 939 C GLY A 66 4.613 0.400 6.344 1.00 0.00 C ATOM 940 O GLY A 66 4.709 -0.342 7.319 1.00 0.00 O ATOM 0 H GLY A 66 4.790 3.055 4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.229 1.341 5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.234 1.667 6.991 1.00 0.00 H new ATOM 944 N ASP A 67 3.654 0.250 5.427 1.00 0.00 N ATOM 945 CA ASP A 67 2.745 -0.893 5.409 1.00 0.00 C ATOM 946 C ASP A 67 2.637 -1.408 3.969 1.00 0.00 C ATOM 947 O ASP A 67 2.840 -0.653 3.015 1.00 0.00 O ATOM 948 CB ASP A 67 1.353 -0.478 5.886 1.00 0.00 C ATOM 949 CG ASP A 67 0.938 -0.895 7.295 1.00 0.00 C ATOM 950 OD1 ASP A 67 0.853 -2.113 7.549 1.00 0.00 O ATOM 951 OD2 ASP A 67 0.508 -0.023 8.084 1.00 0.00 O ATOM 0 H ASP A 67 3.488 0.920 4.676 1.00 0.00 H new ATOM 0 HA ASP A 67 3.131 -1.667 6.072 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.286 0.608 5.823 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.623 -0.884 5.186 1.00 0.00 H new ATOM 956 N VAL A 68 2.259 -2.675 3.809 1.00 0.00 N ATOM 957 CA VAL A 68 2.329 -3.465 2.575 1.00 0.00 C ATOM 958 C VAL A 68 0.903 -3.771 2.118 1.00 0.00 C ATOM 959 O VAL A 68 0.203 -4.476 2.834 1.00 0.00 O ATOM 960 CB VAL A 68 3.128 -4.752 2.906 1.00 0.00 C ATOM 961 CG1 VAL A 68 3.076 -5.899 1.881 1.00 0.00 C ATOM 962 CG2 VAL A 68 4.592 -4.402 3.199 1.00 0.00 C ATOM 0 H VAL A 68 1.871 -3.213 4.584 1.00 0.00 H new ATOM 0 HA VAL A 68 2.829 -2.937 1.763 1.00 0.00 H new ATOM 0 HB VAL A 68 2.613 -5.150 3.780 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.678 -6.734 2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.044 -6.224 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.470 -5.552 0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.145 -5.313 3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.033 -3.922 2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.640 -3.722 4.050 1.00 0.00 H new ATOM 972 N ILE A 69 0.446 -3.247 0.974 1.00 0.00 N ATOM 973 CA ILE A 69 -0.822 -3.592 0.336 1.00 0.00 C ATOM 974 C ILE A 69 -0.799 -5.081 0.012 1.00 0.00 C ATOM 975 O ILE A 69 0.000 -5.515 -0.822 1.00 0.00 O ATOM 976 CB ILE A 69 -1.078 -2.702 -0.911 1.00 0.00 C ATOM 977 CG1 ILE A 69 -1.453 -1.256 -0.517 1.00 0.00 C ATOM 978 CG2 ILE A 69 -2.169 -3.252 -1.840 1.00 0.00 C ATOM 979 CD1 ILE A 69 -0.248 -0.365 -0.251 1.00 0.00 C ATOM 0 H ILE A 69 0.971 -2.546 0.451 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.657 -3.397 1.009 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.133 -2.708 -1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.052 -0.815 -1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.079 -1.282 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.296 -2.581 -2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.878 -4.240 -2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.109 -3.326 -1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.587 0.635 0.020 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.340 -0.783 0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.368 -0.308 -1.149 1.00 0.00 H new ATOM 991 N VAL A 70 -1.691 -5.835 0.657 1.00 0.00 N ATOM 992 CA VAL A 70 -1.901 -7.252 0.387 1.00 0.00 C ATOM 993 C VAL A 70 -3.164 -7.442 -0.465 1.00 0.00 C ATOM 994 O VAL A 70 -3.125 -8.093 -1.516 1.00 0.00 O ATOM 995 CB VAL A 70 -2.010 -8.048 1.705 1.00 0.00 C ATOM 996 CG1 VAL A 70 -1.834 -9.533 1.409 1.00 0.00 C ATOM 997 CG2 VAL A 70 -1.054 -7.628 2.828 1.00 0.00 C ATOM 0 H VAL A 70 -2.296 -5.469 1.393 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.043 -7.633 -0.167 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.003 -7.822 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.910 -10.100 2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.611 -9.861 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.855 -9.701 0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.222 -8.256 3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.024 -7.743 2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.236 -6.586 3.090 1.00 0.00 H new ATOM 1007 N TYR A 71 -4.298 -6.910 -0.001 1.00 0.00 N ATOM 1008 CA TYR A 71 -5.620 -7.106 -0.583 1.00 0.00 C ATOM 1009 C TYR A 71 -6.332 -5.756 -0.646 1.00 0.00 C ATOM 1010 O TYR A 71 -6.044 -4.865 0.165 1.00 0.00 O ATOM 1011 CB TYR A 71 -6.449 -8.092 0.260 1.00 0.00 C ATOM 1012 CG TYR A 71 -5.871 -9.486 0.438 1.00 0.00 C ATOM 1013 CD1 TYR A 71 -6.117 -10.481 -0.524 1.00 0.00 C ATOM 1014 CD2 TYR A 71 -5.140 -9.822 1.594 1.00 0.00 C ATOM 1015 CE1 TYR A 71 -5.570 -11.764 -0.356 1.00 0.00 C ATOM 1016 CE2 TYR A 71 -4.653 -11.119 1.802 1.00 0.00 C ATOM 1017 CZ TYR A 71 -4.834 -12.092 0.800 1.00 0.00 C ATOM 1018 OH TYR A 71 -4.261 -13.318 0.907 1.00 0.00 O ATOM 0 H TYR A 71 -4.316 -6.308 0.822 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.512 -7.524 -1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.597 -7.656 1.248 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.434 -8.187 -0.197 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.724 -10.260 -1.389 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.950 -9.062 2.338 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.716 -12.510 -1.124 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.144 -11.370 2.721 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.789 -13.385 1.763 1.00 0.00 H new ATOM 1028 N ILE A 72 -7.272 -5.627 -1.583 1.00 0.00 N ATOM 1029 CA ILE A 72 -8.190 -4.502 -1.699 1.00 0.00 C ATOM 1030 C ILE A 72 -9.556 -5.118 -1.951 1.00 0.00 C ATOM 1031 O ILE A 72 -9.706 -5.905 -2.887 1.00 0.00 O ATOM 1032 CB ILE A 72 -7.794 -3.536 -2.845 1.00 0.00 C ATOM 1033 CG1 ILE A 72 -6.359 -3.014 -2.625 1.00 0.00 C ATOM 1034 CG2 ILE A 72 -8.821 -2.385 -2.965 1.00 0.00 C ATOM 1035 CD1 ILE A 72 -5.883 -1.986 -3.650 1.00 0.00 C ATOM 0 H ILE A 72 -7.417 -6.331 -2.307 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.175 -3.894 -0.794 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.807 -4.076 -3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.298 -2.570 -1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.674 -3.862 -2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.526 -1.717 -3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.807 -2.798 -3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.854 -1.828 -2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.865 -1.679 -3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.905 -2.428 -4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.539 -1.116 -3.624 1.00 0.00 H new ATOM 1047 N ASN A 73 -10.544 -4.699 -1.165 1.00 0.00 N ATOM 1048 CA ASN A 73 -11.936 -5.142 -1.160 1.00 0.00 C ATOM 1049 C ASN A 73 -12.023 -6.670 -1.084 1.00 0.00 C ATOM 1050 O ASN A 73 -11.982 -7.182 0.032 1.00 0.00 O ATOM 1051 CB ASN A 73 -12.752 -4.454 -2.281 1.00 0.00 C ATOM 1052 CG ASN A 73 -14.105 -3.926 -1.816 1.00 0.00 C ATOM 1053 OD1 ASN A 73 -14.394 -3.810 -0.628 1.00 0.00 O ATOM 1054 ND2 ASN A 73 -14.953 -3.496 -2.730 1.00 0.00 N ATOM 0 H ASN A 73 -10.379 -3.983 -0.458 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.432 -4.807 -0.249 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.169 -3.628 -2.688 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -12.908 -5.164 -3.093 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -15.837 -3.073 -2.447 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -14.725 -3.586 -3.720 1.00 0.00 H new ATOM 1061 N GLU A 74 -12.046 -7.402 -2.201 1.00 0.00 N ATOM 1062 CA GLU A 74 -12.054 -8.867 -2.222 1.00 0.00 C ATOM 1063 C GLU A 74 -11.066 -9.436 -3.261 1.00 0.00 C ATOM 1064 O GLU A 74 -11.317 -10.494 -3.836 1.00 0.00 O ATOM 1065 CB GLU A 74 -13.501 -9.357 -2.440 1.00 0.00 C ATOM 1066 CG GLU A 74 -13.776 -10.729 -1.804 1.00 0.00 C ATOM 1067 CD GLU A 74 -13.863 -10.659 -0.277 1.00 0.00 C ATOM 1068 OE1 GLU A 74 -14.817 -10.036 0.238 1.00 0.00 O ATOM 1069 OE2 GLU A 74 -13.006 -11.261 0.417 1.00 0.00 O ATOM 0 H GLU A 74 -12.060 -6.986 -3.132 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.704 -9.243 -1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.193 -8.625 -2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.702 -9.412 -3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.709 -11.129 -2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.985 -11.423 -2.088 1.00 0.00 H new ATOM 1076 N VAL A 75 -9.975 -8.725 -3.574 1.00 0.00 N ATOM 1077 CA VAL A 75 -9.026 -9.082 -4.636 1.00 0.00 C ATOM 1078 C VAL A 75 -7.610 -9.138 -4.052 1.00 0.00 C ATOM 1079 O VAL A 75 -7.187 -8.227 -3.331 1.00 0.00 O ATOM 1080 CB VAL A 75 -9.172 -8.074 -5.800 1.00 0.00 C ATOM 1081 CG1 VAL A 75 -8.103 -8.159 -6.902 1.00 0.00 C ATOM 1082 CG2 VAL A 75 -10.545 -8.238 -6.482 1.00 0.00 C ATOM 0 H VAL A 75 -9.722 -7.866 -3.085 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.237 -10.071 -5.041 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.052 -7.105 -5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.306 -7.407 -7.664 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.119 -7.981 -6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.126 -9.150 -7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.633 -7.522 -7.299 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.637 -9.250 -6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.336 -8.058 -5.755 1.00 0.00 H new ATOM 1092 N CYS A 76 -6.867 -10.201 -4.379 1.00 0.00 N ATOM 1093 CA CYS A 76 -5.465 -10.375 -4.031 1.00 0.00 C ATOM 1094 C CYS A 76 -4.577 -9.591 -4.997 1.00 0.00 C ATOM 1095 O CYS A 76 -4.403 -9.980 -6.156 1.00 0.00 O ATOM 1096 CB CYS A 76 -5.127 -11.873 -3.951 1.00 0.00 C ATOM 1097 SG CYS A 76 -5.636 -12.861 -5.382 1.00 0.00 S ATOM 0 H CYS A 76 -7.244 -10.986 -4.911 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.268 -9.962 -3.042 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -4.050 -11.979 -3.822 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.597 -12.287 -3.059 1.00 0.00 H new ATOM 0 HG CYS A 76 -5.295 -14.102 -5.196 1.00 0.00 H new ATOM 1103 N VAL A 77 -4.008 -8.479 -4.534 1.00 0.00 N ATOM 1104 CA VAL A 77 -3.279 -7.523 -5.364 1.00 0.00 C ATOM 1105 C VAL A 77 -1.765 -7.556 -5.118 1.00 0.00 C ATOM 1106 O VAL A 77 -1.053 -6.729 -5.673 1.00 0.00 O ATOM 1107 CB VAL A 77 -3.857 -6.111 -5.158 1.00 0.00 C ATOM 1108 CG1 VAL A 77 -5.308 -6.001 -5.645 1.00 0.00 C ATOM 1109 CG2 VAL A 77 -3.781 -5.631 -3.703 1.00 0.00 C ATOM 0 H VAL A 77 -4.042 -8.212 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.415 -7.814 -6.406 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.223 -5.463 -5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.672 -4.987 -5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.353 -6.233 -6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.931 -6.705 -5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.205 -4.630 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.344 -6.312 -3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.740 -5.610 -3.381 1.00 0.00 H new ATOM 1119 N LEU A 78 -1.252 -8.475 -4.296 1.00 0.00 N ATOM 1120 CA LEU A 78 0.127 -8.411 -3.812 1.00 0.00 C ATOM 1121 C LEU A 78 1.184 -8.348 -4.925 1.00 0.00 C ATOM 1122 O LEU A 78 2.226 -7.734 -4.716 1.00 0.00 O ATOM 1123 CB LEU A 78 0.363 -9.524 -2.781 1.00 0.00 C ATOM 1124 CG LEU A 78 0.873 -10.875 -3.316 1.00 0.00 C ATOM 1125 CD1 LEU A 78 2.387 -10.831 -3.570 1.00 0.00 C ATOM 1126 CD2 LEU A 78 0.568 -11.979 -2.297 1.00 0.00 C ATOM 0 H LEU A 78 -1.777 -9.278 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 78 0.260 -7.454 -3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.080 -9.158 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.574 -9.701 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 78 0.366 -11.082 -4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.721 -11.798 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.610 -10.058 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.906 -10.606 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.929 -12.935 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.066 -11.752 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.508 -12.037 -2.134 1.00 0.00 H new ATOM 1138 N GLY A 79 0.939 -8.972 -6.083 1.00 0.00 N ATOM 1139 CA GLY A 79 1.809 -8.962 -7.254 1.00 0.00 C ATOM 1140 C GLY A 79 1.110 -8.305 -8.441 1.00 0.00 C ATOM 1141 O GLY A 79 1.535 -8.501 -9.580 1.00 0.00 O ATOM 0 H GLY A 79 0.091 -9.520 -6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.729 -8.425 -7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.092 -9.983 -7.512 1.00 0.00 H new ATOM 1145 N HIS A 80 0.001 -7.588 -8.212 1.00 0.00 N ATOM 1146 CA HIS A 80 -0.644 -6.828 -9.271 1.00 0.00 C ATOM 1147 C HIS A 80 0.281 -5.673 -9.639 1.00 0.00 C ATOM 1148 O HIS A 80 1.173 -5.284 -8.881 1.00 0.00 O ATOM 1149 CB HIS A 80 -2.031 -6.318 -8.835 1.00 0.00 C ATOM 1150 CG HIS A 80 -3.196 -7.217 -9.173 1.00 0.00 C ATOM 1151 ND1 HIS A 80 -4.473 -6.795 -9.470 1.00 0.00 N ATOM 1152 CD2 HIS A 80 -3.170 -8.576 -9.333 1.00 0.00 C ATOM 1153 CE1 HIS A 80 -5.203 -7.868 -9.796 1.00 0.00 C ATOM 1154 NE2 HIS A 80 -4.454 -8.982 -9.728 1.00 0.00 N ATOM 0 H HIS A 80 -0.460 -7.524 -7.304 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.813 -7.466 -10.139 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.018 -6.162 -7.756 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.201 -5.345 -9.296 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -4.805 -5.831 -9.446 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.316 -9.220 -9.182 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.246 -7.843 -10.074 1.00 0.00 H new ATOM 1162 N THR A 81 0.046 -5.106 -10.812 1.00 0.00 N ATOM 1163 CA THR A 81 0.684 -3.897 -11.262 1.00 0.00 C ATOM 1164 C THR A 81 0.076 -2.734 -10.474 1.00 0.00 C ATOM 1165 O THR A 81 -1.129 -2.720 -10.192 1.00 0.00 O ATOM 1166 CB THR A 81 0.439 -3.778 -12.779 1.00 0.00 C ATOM 1167 OG1 THR A 81 -0.888 -4.155 -13.119 1.00 0.00 O ATOM 1168 CG2 THR A 81 1.375 -4.741 -13.513 1.00 0.00 C ATOM 0 H THR A 81 -0.613 -5.491 -11.489 1.00 0.00 H new ATOM 0 HA THR A 81 1.761 -3.894 -11.093 1.00 0.00 H new ATOM 0 HB THR A 81 0.614 -2.740 -13.062 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.015 -4.068 -14.087 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.208 -4.663 -14.587 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.410 -4.485 -13.287 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.174 -5.762 -13.188 1.00 0.00 H new ATOM 1176 N HIS A 82 0.886 -1.720 -10.178 1.00 0.00 N ATOM 1177 CA HIS A 82 0.434 -0.441 -9.660 1.00 0.00 C ATOM 1178 C HIS A 82 -0.637 0.119 -10.582 1.00 0.00 C ATOM 1179 O HIS A 82 -1.667 0.554 -10.093 1.00 0.00 O ATOM 1180 CB HIS A 82 1.655 0.469 -9.499 1.00 0.00 C ATOM 1181 CG HIS A 82 1.397 1.762 -8.768 1.00 0.00 C ATOM 1182 ND1 HIS A 82 1.708 3.019 -9.228 1.00 0.00 N ATOM 1183 CD2 HIS A 82 0.880 1.899 -7.508 1.00 0.00 C ATOM 1184 CE1 HIS A 82 1.355 3.899 -8.277 1.00 0.00 C ATOM 1185 NE2 HIS A 82 0.847 3.267 -7.206 1.00 0.00 N ATOM 0 H HIS A 82 1.898 -1.771 -10.296 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.029 -0.535 -8.678 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.432 -0.082 -8.968 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.049 0.701 -10.489 1.00 0.00 H new ATOM 0 HD2 HIS A 82 0.556 1.096 -6.862 1.00 0.00 H new ATOM 0 HE1 HIS A 82 1.465 4.970 -8.362 1.00 0.00 H new ATOM 0 HE2 HIS A 82 0.506 3.696 -6.346 1.00 0.00 H new ATOM 1193 N ALA A 83 -0.478 0.023 -11.899 1.00 0.00 N ATOM 1194 CA ALA A 83 -1.499 0.455 -12.841 1.00 0.00 C ATOM 1195 C ALA A 83 -2.863 -0.235 -12.628 1.00 0.00 C ATOM 1196 O ALA A 83 -3.889 0.396 -12.897 1.00 0.00 O ATOM 1197 CB ALA A 83 -0.974 0.248 -14.263 1.00 0.00 C ATOM 0 H ALA A 83 0.360 -0.356 -12.340 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.693 1.513 -12.668 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.730 0.568 -14.980 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.067 0.836 -14.405 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.750 -0.807 -14.418 1.00 0.00 H new ATOM 1203 N ASP A 84 -2.921 -1.479 -12.136 1.00 0.00 N ATOM 1204 CA ASP A 84 -4.185 -2.160 -11.833 1.00 0.00 C ATOM 1205 C ASP A 84 -4.729 -1.652 -10.499 1.00 0.00 C ATOM 1206 O ASP A 84 -5.829 -1.130 -10.429 1.00 0.00 O ATOM 1207 CB ASP A 84 -4.038 -3.690 -11.823 1.00 0.00 C ATOM 1208 CG ASP A 84 -5.408 -4.349 -11.657 1.00 0.00 C ATOM 1209 OD1 ASP A 84 -6.081 -4.609 -12.683 1.00 0.00 O ATOM 1210 OD2 ASP A 84 -5.777 -4.658 -10.506 1.00 0.00 O ATOM 0 H ASP A 84 -2.093 -2.041 -11.937 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.894 -1.926 -12.627 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.575 -4.025 -12.751 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.379 -3.994 -11.010 1.00 0.00 H new ATOM 1215 N VAL A 85 -3.939 -1.701 -9.436 1.00 0.00 N ATOM 1216 CA VAL A 85 -4.273 -1.252 -8.086 1.00 0.00 C ATOM 1217 C VAL A 85 -4.713 0.210 -8.071 1.00 0.00 C ATOM 1218 O VAL A 85 -5.688 0.573 -7.412 1.00 0.00 O ATOM 1219 CB VAL A 85 -3.062 -1.580 -7.185 1.00 0.00 C ATOM 1220 CG1 VAL A 85 -2.957 -0.754 -5.899 1.00 0.00 C ATOM 1221 CG2 VAL A 85 -3.181 -3.059 -6.825 1.00 0.00 C ATOM 0 H VAL A 85 -2.992 -2.076 -9.493 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.142 -1.777 -7.689 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.160 -1.333 -7.744 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.074 -1.062 -5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.876 0.303 -6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.847 -0.914 -5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.346 -3.346 -6.186 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.119 -3.230 -6.296 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.163 -3.658 -7.736 1.00 0.00 H new ATOM 1231 N VAL A 86 -4.067 1.059 -8.854 1.00 0.00 N ATOM 1232 CA VAL A 86 -4.478 2.431 -9.047 1.00 0.00 C ATOM 1233 C VAL A 86 -5.872 2.478 -9.683 1.00 0.00 C ATOM 1234 O VAL A 86 -6.671 3.317 -9.263 1.00 0.00 O ATOM 1235 CB VAL A 86 -3.380 3.156 -9.846 1.00 0.00 C ATOM 1236 CG1 VAL A 86 -3.850 4.522 -10.350 1.00 0.00 C ATOM 1237 CG2 VAL A 86 -2.127 3.345 -8.962 1.00 0.00 C ATOM 0 H VAL A 86 -3.230 0.806 -9.379 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.582 2.961 -8.100 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.142 2.538 -10.712 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.045 5.000 -10.909 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.716 4.392 -11.000 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.124 5.148 -9.501 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.353 3.859 -9.533 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.386 3.939 -8.086 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.756 2.371 -8.643 1.00 0.00 H new ATOM 1247 N LYS A 87 -6.213 1.586 -10.627 1.00 0.00 N ATOM 1248 CA LYS A 87 -7.553 1.567 -11.207 1.00 0.00 C ATOM 1249 C LYS A 87 -8.555 1.129 -10.141 1.00 0.00 C ATOM 1250 O LYS A 87 -9.661 1.663 -10.067 1.00 0.00 O ATOM 1251 CB LYS A 87 -7.567 0.696 -12.482 1.00 0.00 C ATOM 1252 CG LYS A 87 -8.230 -0.682 -12.349 1.00 0.00 C ATOM 1253 CD LYS A 87 -7.895 -1.657 -13.477 1.00 0.00 C ATOM 1254 CE LYS A 87 -8.787 -1.556 -14.717 1.00 0.00 C ATOM 1255 NZ LYS A 87 -8.635 -0.301 -15.481 1.00 0.00 N ATOM 0 H LYS A 87 -5.581 0.877 -10.998 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.854 2.564 -11.528 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.079 1.249 -13.270 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.538 0.552 -12.811 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.929 -1.126 -11.400 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.311 -0.549 -12.310 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.861 -1.495 -13.780 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.957 -2.673 -13.087 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.568 -2.396 -15.376 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.828 -1.655 -14.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.038 -0.423 -16.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.134 0.467 -14.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.626 -0.063 -15.560 1.00 0.00 H new ATOM 1269 N LEU A 88 -8.151 0.187 -9.287 1.00 0.00 N ATOM 1270 CA LEU A 88 -8.975 -0.386 -8.242 1.00 0.00 C ATOM 1271 C LEU A 88 -9.313 0.696 -7.221 1.00 0.00 C ATOM 1272 O LEU A 88 -10.466 0.772 -6.797 1.00 0.00 O ATOM 1273 CB LEU A 88 -8.262 -1.600 -7.616 1.00 0.00 C ATOM 1274 CG LEU A 88 -8.149 -2.830 -8.544 1.00 0.00 C ATOM 1275 CD1 LEU A 88 -7.275 -3.902 -7.881 1.00 0.00 C ATOM 1276 CD2 LEU A 88 -9.515 -3.426 -8.901 1.00 0.00 C ATOM 0 H LEU A 88 -7.210 -0.205 -9.311 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.915 -0.754 -8.653 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.260 -1.298 -7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.796 -1.892 -6.712 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.691 -2.491 -9.473 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.198 -4.767 -8.539 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.280 -3.497 -7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.725 -4.204 -6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -9.377 -4.287 -9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -10.024 -3.740 -7.990 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -10.117 -2.675 -9.413 1.00 0.00 H new ATOM 1288 N PHE A 89 -8.372 1.582 -6.882 1.00 0.00 N ATOM 1289 CA PHE A 89 -8.650 2.755 -6.060 1.00 0.00 C ATOM 1290 C PHE A 89 -9.512 3.783 -6.803 1.00 0.00 C ATOM 1291 O PHE A 89 -10.469 4.303 -6.223 1.00 0.00 O ATOM 1292 CB PHE A 89 -7.340 3.386 -5.570 1.00 0.00 C ATOM 1293 CG PHE A 89 -6.636 2.584 -4.490 1.00 0.00 C ATOM 1294 CD1 PHE A 89 -7.272 2.366 -3.253 1.00 0.00 C ATOM 1295 CD2 PHE A 89 -5.340 2.073 -4.700 1.00 0.00 C ATOM 1296 CE1 PHE A 89 -6.610 1.666 -2.233 1.00 0.00 C ATOM 1297 CE2 PHE A 89 -4.678 1.380 -3.671 1.00 0.00 C ATOM 1298 CZ PHE A 89 -5.302 1.200 -2.426 1.00 0.00 C ATOM 0 H PHE A 89 -7.397 1.503 -7.172 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.223 2.425 -5.194 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.666 3.504 -6.418 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.550 4.385 -5.188 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.272 2.739 -3.089 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.854 2.214 -5.654 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.111 1.485 -1.294 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.687 0.985 -3.839 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.777 0.705 -1.622 1.00 0.00 H new ATOM 1308 N GLN A 90 -9.207 4.088 -8.072 1.00 0.00 N ATOM 1309 CA GLN A 90 -9.965 5.078 -8.834 1.00 0.00 C ATOM 1310 C GLN A 90 -11.434 4.669 -9.012 1.00 0.00 C ATOM 1311 O GLN A 90 -12.304 5.546 -9.055 1.00 0.00 O ATOM 1312 CB GLN A 90 -9.308 5.375 -10.193 1.00 0.00 C ATOM 1313 CG GLN A 90 -8.061 6.285 -10.079 1.00 0.00 C ATOM 1314 CD GLN A 90 -7.939 7.344 -11.187 1.00 0.00 C ATOM 1315 OE1 GLN A 90 -8.915 7.749 -11.816 1.00 0.00 O ATOM 1316 NE2 GLN A 90 -6.742 7.828 -11.476 1.00 0.00 N ATOM 0 H GLN A 90 -8.439 3.660 -8.589 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.951 5.997 -8.249 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -9.022 4.435 -10.665 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.039 5.851 -10.847 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.082 6.789 -9.113 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.168 5.660 -10.092 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.923 7.502 -10.963 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.639 8.527 -12.212 1.00 0.00 H new ATOM 1325 N SER A 91 -11.729 3.365 -9.048 1.00 0.00 N ATOM 1326 CA SER A 91 -13.071 2.832 -9.255 1.00 0.00 C ATOM 1327 C SER A 91 -14.095 3.336 -8.231 1.00 0.00 C ATOM 1328 O SER A 91 -15.285 3.410 -8.554 1.00 0.00 O ATOM 1329 CB SER A 91 -13.022 1.301 -9.236 1.00 0.00 C ATOM 1330 OG SER A 91 -12.849 0.802 -7.922 1.00 0.00 O ATOM 0 H SER A 91 -11.023 2.639 -8.931 1.00 0.00 H new ATOM 0 HA SER A 91 -13.407 3.193 -10.227 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.944 0.901 -9.659 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.204 0.955 -9.868 1.00 0.00 H new ATOM 0 HG SER A 91 -12.010 1.145 -7.550 1.00 0.00 H new ATOM 1336 N VAL A 92 -13.645 3.725 -7.034 1.00 0.00 N ATOM 1337 CA VAL A 92 -14.487 3.875 -5.860 1.00 0.00 C ATOM 1338 C VAL A 92 -15.130 5.266 -5.917 1.00 0.00 C ATOM 1339 O VAL A 92 -14.414 6.269 -5.803 1.00 0.00 O ATOM 1340 CB VAL A 92 -13.661 3.634 -4.575 1.00 0.00 C ATOM 1341 CG1 VAL A 92 -14.585 3.487 -3.361 1.00 0.00 C ATOM 1342 CG2 VAL A 92 -12.834 2.341 -4.681 1.00 0.00 C ATOM 0 H VAL A 92 -12.665 3.947 -6.859 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.284 3.132 -5.843 1.00 0.00 H new ATOM 0 HB VAL A 92 -13.001 4.493 -4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.986 3.318 -2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.172 4.397 -3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.255 2.641 -3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -12.264 2.198 -3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.502 1.493 -4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -12.149 2.415 -5.526 1.00 0.00 H new ATOM 1352 N PRO A 93 -16.444 5.381 -6.169 1.00 0.00 N ATOM 1353 CA PRO A 93 -17.114 6.670 -6.148 1.00 0.00 C ATOM 1354 C PRO A 93 -17.152 7.230 -4.721 1.00 0.00 C ATOM 1355 O PRO A 93 -16.809 6.557 -3.745 1.00 0.00 O ATOM 1356 CB PRO A 93 -18.519 6.446 -6.714 1.00 0.00 C ATOM 1357 CG PRO A 93 -18.696 4.932 -6.801 1.00 0.00 C ATOM 1358 CD PRO A 93 -17.421 4.310 -6.254 1.00 0.00 C ATOM 0 HA PRO A 93 -16.583 7.407 -6.751 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -19.276 6.892 -6.069 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.624 6.909 -7.695 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.562 4.610 -6.223 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -18.867 4.621 -7.832 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.596 3.865 -5.274 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.067 3.513 -6.907 1.00 0.00 H new ATOM 1366 N ILE A 94 -17.557 8.491 -4.602 1.00 0.00 N ATOM 1367 CA ILE A 94 -17.726 9.152 -3.316 1.00 0.00 C ATOM 1368 C ILE A 94 -18.827 8.427 -2.539 1.00 0.00 C ATOM 1369 O ILE A 94 -19.803 7.950 -3.117 1.00 0.00 O ATOM 1370 CB ILE A 94 -17.984 10.651 -3.562 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -16.625 11.311 -3.894 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -18.641 11.357 -2.367 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -16.796 12.538 -4.782 1.00 0.00 C ATOM 0 H ILE A 94 -17.778 9.085 -5.401 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.832 9.100 -2.695 1.00 0.00 H new ATOM 0 HB ILE A 94 -18.689 10.750 -4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.124 11.598 -2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -15.981 10.587 -4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -18.795 12.409 -2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -19.602 10.889 -2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.993 11.274 -1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -15.819 12.973 -4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -17.273 12.246 -5.718 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -17.418 13.273 -4.271 1.00 0.00 H new ATOM 1385 N GLY A 95 -18.661 8.349 -1.218 1.00 0.00 N ATOM 1386 CA GLY A 95 -19.653 7.805 -0.313 1.00 0.00 C ATOM 1387 C GLY A 95 -19.725 6.282 -0.315 1.00 0.00 C ATOM 1388 O GLY A 95 -20.480 5.744 0.497 1.00 0.00 O ATOM 0 H GLY A 95 -17.815 8.670 -0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -19.433 8.147 0.698 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -20.631 8.205 -0.579 1.00 0.00 H new ATOM 1392 N GLN A 96 -18.969 5.580 -1.168 1.00 0.00 N ATOM 1393 CA GLN A 96 -18.782 4.137 -1.023 1.00 0.00 C ATOM 1394 C GLN A 96 -17.615 3.887 -0.071 1.00 0.00 C ATOM 1395 O GLN A 96 -16.936 4.827 0.344 1.00 0.00 O ATOM 1396 CB GLN A 96 -18.499 3.467 -2.377 1.00 0.00 C ATOM 1397 CG GLN A 96 -19.559 3.708 -3.457 1.00 0.00 C ATOM 1398 CD GLN A 96 -20.986 3.338 -3.074 1.00 0.00 C ATOM 1399 OE1 GLN A 96 -21.258 2.534 -2.184 1.00 0.00 O ATOM 1400 NE2 GLN A 96 -21.947 3.864 -3.808 1.00 0.00 N ATOM 0 H GLN A 96 -18.479 5.990 -1.963 1.00 0.00 H new ATOM 0 HA GLN A 96 -19.700 3.704 -0.624 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -17.538 3.824 -2.747 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -18.401 2.393 -2.220 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -19.538 4.762 -3.732 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -19.282 3.141 -4.346 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -21.719 4.531 -4.545 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -22.919 3.604 -3.638 1.00 0.00 H new ATOM 1409 N SER A 97 -17.347 2.625 0.249 1.00 0.00 N ATOM 1410 CA SER A 97 -16.177 2.184 0.978 1.00 0.00 C ATOM 1411 C SER A 97 -15.511 1.016 0.243 1.00 0.00 C ATOM 1412 O SER A 97 -16.138 0.382 -0.608 1.00 0.00 O ATOM 1413 CB SER A 97 -16.560 1.872 2.426 1.00 0.00 C ATOM 1414 OG SER A 97 -17.927 1.564 2.619 1.00 0.00 O ATOM 0 H SER A 97 -17.967 1.856 -0.005 1.00 0.00 H new ATOM 0 HA SER A 97 -15.430 2.976 1.022 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.959 1.032 2.774 1.00 0.00 H new ATOM 0 HB3 SER A 97 -16.302 2.728 3.049 1.00 0.00 H new ATOM 0 HG SER A 97 -18.089 1.376 3.567 1.00 0.00 H new ATOM 1420 N VAL A 98 -14.254 0.720 0.569 1.00 0.00 N ATOM 1421 CA VAL A 98 -13.556 -0.516 0.213 1.00 0.00 C ATOM 1422 C VAL A 98 -12.753 -0.988 1.418 1.00 0.00 C ATOM 1423 O VAL A 98 -12.264 -0.150 2.185 1.00 0.00 O ATOM 1424 CB VAL A 98 -12.635 -0.314 -1.012 1.00 0.00 C ATOM 1425 CG1 VAL A 98 -13.492 -0.043 -2.243 1.00 0.00 C ATOM 1426 CG2 VAL A 98 -11.610 0.815 -0.855 1.00 0.00 C ATOM 0 H VAL A 98 -13.671 1.359 1.109 1.00 0.00 H new ATOM 0 HA VAL A 98 -14.291 -1.273 -0.062 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.060 -1.234 -1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.848 0.100 -3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -14.154 -0.891 -2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -14.088 0.855 -2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.006 0.887 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -12.130 1.758 -0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.963 0.604 -0.003 1.00 0.00 H new ATOM 1436 N ASN A 99 -12.561 -2.300 1.537 1.00 0.00 N ATOM 1437 CA ASN A 99 -11.697 -2.894 2.551 1.00 0.00 C ATOM 1438 C ASN A 99 -10.271 -2.840 2.022 1.00 0.00 C ATOM 1439 O ASN A 99 -10.051 -2.751 0.811 1.00 0.00 O ATOM 1440 CB ASN A 99 -12.032 -4.374 2.807 1.00 0.00 C ATOM 1441 CG ASN A 99 -13.382 -4.609 3.462 1.00 0.00 C ATOM 1442 OD1 ASN A 99 -14.419 -4.178 2.967 1.00 0.00 O ATOM 1443 ND2 ASN A 99 -13.412 -5.336 4.561 1.00 0.00 N ATOM 0 H ASN A 99 -13.005 -2.985 0.926 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.832 -2.343 3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.005 -4.909 1.858 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.256 -4.805 3.439 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.304 -5.546 5.009 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -12.543 -5.689 4.963 1.00 0.00 H new ATOM 1450 N LEU A 100 -9.300 -2.930 2.920 1.00 0.00 N ATOM 1451 CA LEU A 100 -7.882 -3.007 2.631 1.00 0.00 C ATOM 1452 C LEU A 100 -7.280 -3.903 3.708 1.00 0.00 C ATOM 1453 O LEU A 100 -7.686 -3.801 4.866 1.00 0.00 O ATOM 1454 CB LEU A 100 -7.257 -1.605 2.739 1.00 0.00 C ATOM 1455 CG LEU A 100 -7.837 -0.514 1.822 1.00 0.00 C ATOM 1456 CD1 LEU A 100 -7.296 0.837 2.293 1.00 0.00 C ATOM 1457 CD2 LEU A 100 -7.504 -0.696 0.341 1.00 0.00 C ATOM 0 H LEU A 100 -9.495 -2.952 3.921 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.700 -3.394 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.354 -1.268 3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.190 -1.692 2.531 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.923 -0.577 1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.693 1.629 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.601 1.012 3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.208 0.834 2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.950 0.115 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.422 -0.683 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.902 -1.649 -0.007 1.00 0.00 H new ATOM 1469 N VAL A 101 -6.288 -4.718 3.357 1.00 0.00 N ATOM 1470 CA VAL A 101 -5.460 -5.461 4.306 1.00 0.00 C ATOM 1471 C VAL A 101 -4.046 -4.964 4.082 1.00 0.00 C ATOM 1472 O VAL A 101 -3.608 -4.964 2.921 1.00 0.00 O ATOM 1473 CB VAL A 101 -5.520 -6.977 4.040 1.00 0.00 C ATOM 1474 CG1 VAL A 101 -4.736 -7.812 5.061 1.00 0.00 C ATOM 1475 CG2 VAL A 101 -6.967 -7.498 4.016 1.00 0.00 C ATOM 0 H VAL A 101 -6.031 -4.884 2.384 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.806 -5.305 5.328 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.055 -7.097 3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.823 -8.869 4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.686 -7.520 5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.141 -7.641 6.058 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.964 -8.571 3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.440 -7.301 4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.523 -6.991 3.227 1.00 0.00 H new ATOM 1485 N LEU A 102 -3.343 -4.578 5.153 1.00 0.00 N ATOM 1486 CA LEU A 102 -1.909 -4.329 5.091 1.00 0.00 C ATOM 1487 C LEU A 102 -1.162 -5.285 6.022 1.00 0.00 C ATOM 1488 O LEU A 102 -1.775 -6.006 6.816 1.00 0.00 O ATOM 1489 CB LEU A 102 -1.498 -2.863 5.350 1.00 0.00 C ATOM 1490 CG LEU A 102 -2.256 -1.751 4.597 1.00 0.00 C ATOM 1491 CD1 LEU A 102 -1.722 -0.339 4.884 1.00 0.00 C ATOM 1492 CD2 LEU A 102 -2.190 -1.874 3.082 1.00 0.00 C ATOM 0 H LEU A 102 -3.752 -4.432 6.076 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.619 -4.522 4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.601 -2.672 6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.439 -2.766 5.109 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.273 -1.886 4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.303 0.391 4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.808 -0.127 5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.675 -0.278 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.747 -1.055 2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.150 -1.830 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.626 -2.825 2.775 1.00 0.00 H new ATOM 1504 N CYS A 103 0.167 -5.286 5.923 1.00 0.00 N ATOM 1505 CA CYS A 103 1.065 -5.998 6.812 1.00 0.00 C ATOM 1506 C CYS A 103 2.162 -5.029 7.267 1.00 0.00 C ATOM 1507 O CYS A 103 2.891 -4.485 6.431 1.00 0.00 O ATOM 1508 CB CYS A 103 1.618 -7.234 6.094 1.00 0.00 C ATOM 1509 SG CYS A 103 2.389 -8.360 7.287 1.00 0.00 S ATOM 0 H CYS A 103 0.659 -4.770 5.193 1.00 0.00 H new ATOM 0 HA CYS A 103 0.547 -6.357 7.701 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.814 -7.747 5.566 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.349 -6.931 5.344 1.00 0.00 H new ATOM 0 HG CYS A 103 1.741 -9.487 7.301 1.00 0.00 H new ATOM 1515 N ARG A 104 2.254 -4.806 8.581 1.00 0.00 N ATOM 1516 CA ARG A 104 3.125 -3.813 9.208 1.00 0.00 C ATOM 1517 C ARG A 104 4.465 -4.426 9.551 1.00 0.00 C ATOM 1518 O ARG A 104 4.493 -5.538 10.084 1.00 0.00 O ATOM 1519 CB ARG A 104 2.455 -3.318 10.497 1.00 0.00 C ATOM 1520 CG ARG A 104 3.053 -1.998 11.017 1.00 0.00 C ATOM 1521 CD ARG A 104 2.019 -1.177 11.799 1.00 0.00 C ATOM 1522 NE ARG A 104 1.015 -0.594 10.892 1.00 0.00 N ATOM 1523 CZ ARG A 104 -0.191 -0.133 11.233 1.00 0.00 C ATOM 1524 NH1 ARG A 104 -0.533 0.070 12.498 1.00 0.00 N ATOM 1525 NH2 ARG A 104 -1.062 0.118 10.275 1.00 0.00 N ATOM 0 H ARG A 104 1.704 -5.332 9.260 1.00 0.00 H new ATOM 0 HA ARG A 104 3.284 -2.986 8.516 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.389 -3.181 10.316 1.00 0.00 H new ATOM 0 HB3 ARG A 104 2.552 -4.083 11.267 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.908 -2.213 11.658 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.425 -1.411 10.177 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.525 -1.812 12.534 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.522 -0.382 12.351 1.00 0.00 H new ATOM 0 HE ARG A 104 1.266 -0.537 9.905 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.134 -0.127 13.244 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.463 0.423 12.725 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.808 -0.041 9.300 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.990 0.471 10.509 1.00 0.00 H new ATOM 1539 N GLY A 105 5.560 -3.696 9.371 1.00 0.00 N ATOM 1540 CA GLY A 105 6.894 -4.100 9.801 1.00 0.00 C ATOM 1541 C GLY A 105 7.920 -3.844 8.708 1.00 0.00 C ATOM 1542 O GLY A 105 9.044 -3.426 8.989 1.00 0.00 O ATOM 0 H GLY A 105 5.545 -2.786 8.911 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.172 -3.551 10.701 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.891 -5.158 10.061 1.00 0.00 H new ATOM 1546 N TYR A 106 7.530 -4.077 7.454 1.00 0.00 N ATOM 1547 CA TYR A 106 8.344 -3.772 6.290 1.00 0.00 C ATOM 1548 C TYR A 106 8.625 -2.263 6.248 1.00 0.00 C ATOM 1549 O TYR A 106 7.669 -1.487 6.184 1.00 0.00 O ATOM 1550 CB TYR A 106 7.607 -4.218 5.027 1.00 0.00 C ATOM 1551 CG TYR A 106 7.788 -5.684 4.688 1.00 0.00 C ATOM 1552 CD1 TYR A 106 8.894 -6.061 3.904 1.00 0.00 C ATOM 1553 CD2 TYR A 106 6.850 -6.658 5.092 1.00 0.00 C ATOM 1554 CE1 TYR A 106 9.031 -7.381 3.453 1.00 0.00 C ATOM 1555 CE2 TYR A 106 7.003 -7.991 4.677 1.00 0.00 C ATOM 1556 CZ TYR A 106 8.069 -8.344 3.819 1.00 0.00 C ATOM 1557 OH TYR A 106 8.135 -9.592 3.284 1.00 0.00 O ATOM 0 H TYR A 106 6.626 -4.489 7.221 1.00 0.00 H new ATOM 0 HA TYR A 106 9.294 -4.304 6.348 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.543 -4.013 5.149 1.00 0.00 H new ATOM 0 HB3 TYR A 106 7.953 -3.617 4.186 1.00 0.00 H new ATOM 0 HD1 TYR A 106 9.644 -5.327 3.648 1.00 0.00 H new ATOM 0 HD2 TYR A 106 6.016 -6.379 5.719 1.00 0.00 H new ATOM 0 HE1 TYR A 106 9.868 -7.658 2.829 1.00 0.00 H new ATOM 0 HE2 TYR A 106 6.307 -8.745 5.013 1.00 0.00 H new ATOM 0 HH TYR A 106 8.082 -10.258 4.001 1.00 0.00 H new ATOM 1567 N PRO A 107 9.898 -1.830 6.287 1.00 0.00 N ATOM 1568 CA PRO A 107 10.248 -0.417 6.264 1.00 0.00 C ATOM 1569 C PRO A 107 9.924 0.225 4.919 1.00 0.00 C ATOM 1570 O PRO A 107 9.498 -0.447 3.973 1.00 0.00 O ATOM 1571 CB PRO A 107 11.745 -0.357 6.556 1.00 0.00 C ATOM 1572 CG PRO A 107 12.268 -1.707 6.083 1.00 0.00 C ATOM 1573 CD PRO A 107 11.098 -2.651 6.339 1.00 0.00 C ATOM 0 HA PRO A 107 9.671 0.141 7.002 1.00 0.00 H new ATOM 0 HB2 PRO A 107 12.223 0.465 6.023 1.00 0.00 H new ATOM 0 HB3 PRO A 107 11.939 -0.204 7.618 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.542 -1.684 5.028 1.00 0.00 H new ATOM 0 HG3 PRO A 107 13.157 -2.010 6.637 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.063 -3.440 5.588 1.00 0.00 H new ATOM 0 HD3 PRO A 107 11.195 -3.138 7.309 1.00 0.00 H new ATOM 1581 N LEU A 108 10.155 1.534 4.824 1.00 0.00 N ATOM 1582 CA LEU A 108 9.981 2.256 3.570 1.00 0.00 C ATOM 1583 C LEU A 108 11.015 1.777 2.542 1.00 0.00 C ATOM 1584 O LEU A 108 12.102 1.334 2.927 1.00 0.00 O ATOM 1585 CB LEU A 108 10.096 3.767 3.810 1.00 0.00 C ATOM 1586 CG LEU A 108 8.758 4.372 4.271 1.00 0.00 C ATOM 1587 CD1 LEU A 108 9.024 5.598 5.139 1.00 0.00 C ATOM 1588 CD2 LEU A 108 7.900 4.753 3.058 1.00 0.00 C ATOM 0 H LEU A 108 10.464 2.115 5.604 1.00 0.00 H new ATOM 0 HA LEU A 108 8.987 2.053 3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.861 3.959 4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.421 4.258 2.893 1.00 0.00 H new ATOM 0 HG LEU A 108 8.214 3.631 4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.076 6.026 5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.609 5.306 6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.577 6.339 4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.957 5.180 3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 108 8.432 5.487 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.701 3.864 2.460 1.00 0.00 H new ATOM 1600 N PRO A 109 10.688 1.858 1.239 1.00 0.00 N ATOM 1601 CA PRO A 109 11.574 1.403 0.182 1.00 0.00 C ATOM 1602 C PRO A 109 12.667 2.447 -0.084 1.00 0.00 C ATOM 1603 O PRO A 109 13.851 2.112 -0.118 1.00 0.00 O ATOM 1604 CB PRO A 109 10.654 1.158 -1.016 1.00 0.00 C ATOM 1605 CG PRO A 109 9.505 2.148 -0.828 1.00 0.00 C ATOM 1606 CD PRO A 109 9.428 2.345 0.684 1.00 0.00 C ATOM 0 HA PRO A 109 12.119 0.493 0.431 1.00 0.00 H new ATOM 0 HB2 PRO A 109 11.175 1.330 -1.958 1.00 0.00 H new ATOM 0 HB3 PRO A 109 10.292 0.130 -1.035 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.701 3.088 -1.343 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.570 1.754 -1.227 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.278 3.396 0.929 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.584 1.797 1.103 1.00 0.00 H new