USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 847 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 86 THR OG1 : rot -121:sc= -2.88! USER MOD Set 1.2: A 88 TYR OH : rot 180:sc= 0.0399 USER MOD Single : A 18 SER OG : rot 180:sc= 0.099 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -107:sc= 0.0863 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -5.09! C(o=-5.1!,f=-3.2!) USER MOD Single : A 38 THR OG1 : rot 97:sc= -7.81! USER MOD Single : A 40 SER OG : rot -5:sc= 0.661! USER MOD Single : A 42 MET CE :methyl 152:sc= -0.415 (180deg=-2.18!) USER MOD Single : A 43 GLN : amide:sc= -0.204 K(o=-0.2,f=-2.4!) USER MOD Single : A 51 LYS NZ :NH3+ -149:sc= -0.947 (180deg=-3.36!) USER MOD Single : A 53 GLN : amide:sc= -3.05! C(o=-3!,f=-3.4!) USER MOD Single : A 62 ASN : amide:sc= -0.0919 X(o=-0.092,f=-0.092) USER MOD Single : A 68 SER OG : rot 147:sc= -5.83! USER MOD Single : A 69 TYR OH : rot -41:sc= -4.9! USER MOD Single : A 79 ASN : amide:sc= -21.2! C(o=-21!,f=-28!) USER MOD Single : A 90 SER OG : rot -80:sc= -0.707 USER MOD Single : A 91 LYS NZ :NH3+ -172:sc= 0.818 (180deg=0.703) USER MOD Single : A 95 THR OG1 : rot -162:sc= -0.321 USER MOD Single : A 97 TYR OH : rot 52:sc= 1.27 USER MOD Single : A 98 SER OG : rot 107:sc= -0.289! USER MOD Single : A 99 ASN : amide:sc= -15.2! C(o=-15!,f=-7.8!) USER MOD Single : A 104 THR OG1 : rot -57:sc= 1.17 USER MOD Single : A 105 LYS NZ :NH3+ 169:sc= -0.846 (180deg=-1.22) USER MOD Single : A 110 SER OG : rot -50:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 8 6.247 12.277 8.135 1.00 0.00 N ATOM 109 CA ARG A 8 6.122 12.163 6.662 1.00 0.00 C ATOM 110 C ARG A 8 5.273 10.932 6.362 1.00 0.00 C ATOM 111 O ARG A 8 5.320 9.954 7.082 1.00 0.00 O ATOM 112 CB ARG A 8 7.552 11.985 6.146 1.00 0.00 C ATOM 113 CG ARG A 8 8.398 13.196 6.550 1.00 0.00 C ATOM 114 CD ARG A 8 8.517 14.157 5.364 1.00 0.00 C ATOM 115 NE ARG A 8 9.942 14.591 5.357 1.00 0.00 N ATOM 116 CZ ARG A 8 10.257 15.779 4.919 1.00 0.00 C ATOM 117 NH1 ARG A 8 10.317 16.006 3.635 1.00 0.00 N ATOM 118 NH2 ARG A 8 10.509 16.742 5.763 1.00 0.00 N ATOM 0 HA ARG A 8 5.651 13.027 6.193 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.986 11.073 6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.547 11.877 5.061 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.941 13.705 7.399 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.388 12.871 6.868 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.251 13.664 4.429 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.846 15.009 5.478 1.00 0.00 H new ATOM 0 HE ARG A 8 10.670 13.961 5.694 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.118 15.255 2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.563 16.935 3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.460 16.566 6.767 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.755 17.670 5.419 1.00 0.00 H new ATOM 132 N LEU A 9 4.484 10.959 5.329 1.00 0.00 N ATOM 133 CA LEU A 9 3.644 9.781 5.039 1.00 0.00 C ATOM 134 C LEU A 9 4.420 8.799 4.175 1.00 0.00 C ATOM 135 O LEU A 9 5.162 9.193 3.283 1.00 0.00 O ATOM 136 CB LEU A 9 2.435 10.320 4.277 1.00 0.00 C ATOM 137 CG LEU A 9 1.271 10.530 5.243 1.00 0.00 C ATOM 138 CD1 LEU A 9 0.725 11.950 5.077 1.00 0.00 C ATOM 139 CD2 LEU A 9 0.167 9.515 4.934 1.00 0.00 C ATOM 0 H LEU A 9 4.388 11.741 4.681 1.00 0.00 H new ATOM 0 HA LEU A 9 3.344 9.255 5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.690 11.261 3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.147 9.622 3.491 1.00 0.00 H new ATOM 0 HG LEU A 9 1.614 10.391 6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.106 12.103 5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.513 12.671 5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.378 12.089 4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.666 9.662 5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.179 9.655 3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.559 8.505 5.050 1.00 0.00 H new ATOM 151 N ARG A 10 4.266 7.526 4.407 1.00 0.00 N ATOM 152 CA ARG A 10 5.014 6.578 3.560 1.00 0.00 C ATOM 153 C ARG A 10 4.197 5.335 3.218 1.00 0.00 C ATOM 154 O ARG A 10 3.591 4.713 4.064 1.00 0.00 O ATOM 155 CB ARG A 10 6.277 6.214 4.335 1.00 0.00 C ATOM 156 CG ARG A 10 7.508 6.735 3.580 1.00 0.00 C ATOM 157 CD ARG A 10 7.364 6.470 2.072 1.00 0.00 C ATOM 158 NE ARG A 10 6.753 7.706 1.518 1.00 0.00 N ATOM 159 CZ ARG A 10 6.026 7.659 0.424 1.00 0.00 C ATOM 160 NH1 ARG A 10 6.594 7.730 -0.746 1.00 0.00 N ATOM 161 NH2 ARG A 10 4.721 7.581 0.491 1.00 0.00 N ATOM 0 H ARG A 10 3.671 7.116 5.127 1.00 0.00 H new ATOM 0 HA ARG A 10 5.254 7.037 2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.240 6.646 5.335 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.343 5.133 4.457 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.626 7.804 3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.407 6.248 3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.332 6.269 1.613 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.735 5.600 1.883 1.00 0.00 H new ATOM 0 HE ARG A 10 6.899 8.598 1.990 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.607 7.822 -0.816 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.025 7.693 -1.592 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.258 7.556 1.399 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.168 7.545 -0.365 1.00 0.00 H new ATOM 175 N VAL A 11 4.192 4.973 1.966 1.00 0.00 N ATOM 176 CA VAL A 11 3.425 3.776 1.529 1.00 0.00 C ATOM 177 C VAL A 11 4.366 2.693 0.994 1.00 0.00 C ATOM 178 O VAL A 11 4.737 2.698 -0.162 1.00 0.00 O ATOM 179 CB VAL A 11 2.539 4.286 0.401 1.00 0.00 C ATOM 180 CG1 VAL A 11 3.414 4.971 -0.650 1.00 0.00 C ATOM 181 CG2 VAL A 11 1.808 3.107 -0.236 1.00 0.00 C ATOM 0 H VAL A 11 4.691 5.460 1.221 1.00 0.00 H new ATOM 0 HA VAL A 11 2.861 3.331 2.349 1.00 0.00 H new ATOM 0 HB VAL A 11 1.811 4.997 0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.787 5.339 -1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.944 5.807 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.136 4.256 -1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.172 3.467 -1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.536 2.400 -0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.194 2.611 0.515 1.00 0.00 H new ATOM 191 N LEU A 12 4.742 1.753 1.810 1.00 0.00 N ATOM 192 CA LEU A 12 5.639 0.674 1.315 1.00 0.00 C ATOM 193 C LEU A 12 4.860 -0.239 0.361 1.00 0.00 C ATOM 194 O LEU A 12 4.219 -1.183 0.777 1.00 0.00 O ATOM 195 CB LEU A 12 6.073 -0.078 2.572 1.00 0.00 C ATOM 196 CG LEU A 12 6.768 0.899 3.520 1.00 0.00 C ATOM 197 CD1 LEU A 12 7.278 0.153 4.754 1.00 0.00 C ATOM 198 CD2 LEU A 12 7.946 1.547 2.797 1.00 0.00 C ATOM 0 H LEU A 12 4.471 1.683 2.791 1.00 0.00 H new ATOM 0 HA LEU A 12 6.499 1.051 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.208 -0.526 3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.748 -0.893 2.309 1.00 0.00 H new ATOM 0 HG LEU A 12 6.059 1.665 3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.772 0.855 5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.439 -0.313 5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.987 -0.616 4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.446 2.245 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.651 0.776 2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.584 2.083 1.920 1.00 0.00 H new ATOM 210 N VAL A 13 4.903 0.044 -0.917 1.00 0.00 N ATOM 211 CA VAL A 13 4.154 -0.801 -1.893 1.00 0.00 C ATOM 212 C VAL A 13 5.031 -1.951 -2.375 1.00 0.00 C ATOM 213 O VAL A 13 6.240 -1.906 -2.280 1.00 0.00 O ATOM 214 CB VAL A 13 3.792 0.136 -3.049 1.00 0.00 C ATOM 215 CG1 VAL A 13 2.665 -0.488 -3.871 1.00 0.00 C ATOM 216 CG2 VAL A 13 3.318 1.484 -2.496 1.00 0.00 C ATOM 0 H VAL A 13 5.423 0.821 -1.324 1.00 0.00 H new ATOM 0 HA VAL A 13 3.264 -1.249 -1.451 1.00 0.00 H new ATOM 0 HB VAL A 13 4.671 0.288 -3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.405 0.176 -4.695 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.994 -1.448 -4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.792 -0.638 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.062 2.147 -3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.440 1.331 -1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.114 1.934 -1.903 1.00 0.00 H new ATOM 226 N VAL A 14 4.426 -2.993 -2.868 1.00 0.00 N ATOM 227 CA VAL A 14 5.216 -4.164 -3.326 1.00 0.00 C ATOM 228 C VAL A 14 4.356 -5.067 -4.231 1.00 0.00 C ATOM 229 O VAL A 14 3.145 -5.136 -4.099 1.00 0.00 O ATOM 230 CB VAL A 14 5.589 -4.862 -2.011 1.00 0.00 C ATOM 231 CG1 VAL A 14 5.629 -6.379 -2.190 1.00 0.00 C ATOM 232 CG2 VAL A 14 6.960 -4.372 -1.529 1.00 0.00 C ATOM 0 H VAL A 14 3.415 -3.083 -2.973 1.00 0.00 H new ATOM 0 HA VAL A 14 6.090 -3.904 -3.922 1.00 0.00 H new ATOM 0 HB VAL A 14 4.828 -4.617 -1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.896 -6.850 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.649 -6.734 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.371 -6.637 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.217 -4.872 -0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.714 -4.600 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.925 -3.295 -1.366 1.00 0.00 H new ATOM 242 N GLU A 15 4.978 -5.762 -5.149 1.00 0.00 N ATOM 243 CA GLU A 15 4.202 -6.656 -6.060 1.00 0.00 C ATOM 244 C GLU A 15 5.135 -7.384 -7.038 1.00 0.00 C ATOM 245 O GLU A 15 5.624 -8.460 -6.762 1.00 0.00 O ATOM 246 CB GLU A 15 3.264 -5.716 -6.811 1.00 0.00 C ATOM 247 CG GLU A 15 2.509 -6.493 -7.890 1.00 0.00 C ATOM 248 CD GLU A 15 2.278 -5.589 -9.103 1.00 0.00 C ATOM 249 OE1 GLU A 15 2.929 -4.561 -9.185 1.00 0.00 O ATOM 250 OE2 GLU A 15 1.455 -5.942 -9.931 1.00 0.00 O ATOM 0 H GLU A 15 5.986 -5.749 -5.307 1.00 0.00 H new ATOM 0 HA GLU A 15 3.665 -7.432 -5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.558 -5.260 -6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.833 -4.905 -7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.078 -7.375 -8.184 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.555 -6.845 -7.499 1.00 0.00 H new ATOM 257 N ASP A 16 5.372 -6.812 -8.187 1.00 0.00 N ATOM 258 CA ASP A 16 6.256 -7.478 -9.178 1.00 0.00 C ATOM 259 C ASP A 16 7.653 -6.845 -9.177 1.00 0.00 C ATOM 260 O ASP A 16 8.499 -7.200 -8.380 1.00 0.00 O ATOM 261 CB ASP A 16 5.567 -7.271 -10.524 1.00 0.00 C ATOM 262 CG ASP A 16 6.394 -7.935 -11.625 1.00 0.00 C ATOM 263 OD1 ASP A 16 7.042 -8.927 -11.334 1.00 0.00 O ATOM 264 OD2 ASP A 16 6.365 -7.442 -12.741 1.00 0.00 O ATOM 0 H ASP A 16 4.991 -5.912 -8.480 1.00 0.00 H new ATOM 0 HA ASP A 16 6.400 -8.534 -8.951 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.564 -7.697 -10.501 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.457 -6.206 -10.729 1.00 0.00 H new ATOM 269 N GLU A 17 7.909 -5.918 -10.065 1.00 0.00 N ATOM 270 CA GLU A 17 9.258 -5.283 -10.107 1.00 0.00 C ATOM 271 C GLU A 17 9.194 -3.915 -10.802 1.00 0.00 C ATOM 272 O GLU A 17 9.346 -2.884 -10.176 1.00 0.00 O ATOM 273 CB GLU A 17 10.116 -6.260 -10.914 1.00 0.00 C ATOM 274 CG GLU A 17 11.599 -5.958 -10.688 1.00 0.00 C ATOM 275 CD GLU A 17 12.425 -6.630 -11.786 1.00 0.00 C ATOM 276 OE1 GLU A 17 11.874 -6.875 -12.847 1.00 0.00 O ATOM 277 OE2 GLU A 17 13.592 -6.892 -11.547 1.00 0.00 O ATOM 0 H GLU A 17 7.245 -5.576 -10.759 1.00 0.00 H new ATOM 0 HA GLU A 17 9.661 -5.102 -9.111 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.895 -7.285 -10.615 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.876 -6.178 -11.974 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.768 -4.881 -10.697 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.911 -6.321 -9.709 1.00 0.00 H new ATOM 284 N SER A 18 8.978 -3.896 -12.092 1.00 0.00 N ATOM 285 CA SER A 18 8.915 -2.593 -12.819 1.00 0.00 C ATOM 286 C SER A 18 7.462 -2.123 -12.959 1.00 0.00 C ATOM 287 O SER A 18 7.194 -0.949 -13.126 1.00 0.00 O ATOM 288 CB SER A 18 9.531 -2.872 -14.192 1.00 0.00 C ATOM 289 OG SER A 18 9.252 -4.214 -14.571 1.00 0.00 O ATOM 0 H SER A 18 8.843 -4.724 -12.672 1.00 0.00 H new ATOM 0 HA SER A 18 9.446 -1.802 -12.289 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.126 -2.182 -14.932 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.608 -2.708 -14.160 1.00 0.00 H new ATOM 0 HG SER A 18 9.644 -4.394 -15.451 1.00 0.00 H new ATOM 295 N MET A 19 6.521 -3.028 -12.890 1.00 0.00 N ATOM 296 CA MET A 19 5.087 -2.629 -13.016 1.00 0.00 C ATOM 297 C MET A 19 4.648 -1.833 -11.782 1.00 0.00 C ATOM 298 O MET A 19 3.912 -0.871 -11.879 1.00 0.00 O ATOM 299 CB MET A 19 4.320 -3.948 -13.104 1.00 0.00 C ATOM 300 CG MET A 19 3.703 -4.088 -14.497 1.00 0.00 C ATOM 301 SD MET A 19 3.294 -5.825 -14.802 1.00 0.00 S ATOM 302 CE MET A 19 4.863 -6.300 -15.573 1.00 0.00 C ATOM 0 H MET A 19 6.683 -4.026 -12.752 1.00 0.00 H new ATOM 0 HA MET A 19 4.908 -1.993 -13.883 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.990 -4.784 -12.906 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.539 -3.978 -12.344 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.806 -3.473 -14.573 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.401 -3.729 -15.254 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.830 -7.355 -15.846 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.026 -5.699 -16.467 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.679 -6.133 -14.870 1.00 0.00 H new ATOM 312 N ILE A 20 5.100 -2.227 -10.623 1.00 0.00 N ATOM 313 CA ILE A 20 4.721 -1.495 -9.378 1.00 0.00 C ATOM 314 C ILE A 20 5.551 -0.215 -9.258 1.00 0.00 C ATOM 315 O ILE A 20 5.255 0.664 -8.472 1.00 0.00 O ATOM 316 CB ILE A 20 5.068 -2.459 -8.245 1.00 0.00 C ATOM 317 CG1 ILE A 20 4.690 -1.834 -6.898 1.00 0.00 C ATOM 318 CG2 ILE A 20 6.570 -2.741 -8.272 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.481 -2.566 -6.301 1.00 0.00 C ATOM 0 H ILE A 20 5.717 -3.027 -10.483 1.00 0.00 H new ATOM 0 HA ILE A 20 3.671 -1.203 -9.364 1.00 0.00 H new ATOM 0 HB ILE A 20 4.514 -3.389 -8.375 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.535 -1.890 -6.212 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.457 -0.778 -7.031 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.826 -3.429 -7.466 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.839 -3.188 -9.229 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.118 -1.808 -8.140 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.219 -2.115 -5.344 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.634 -2.487 -6.983 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.729 -3.617 -6.151 1.00 0.00 H new ATOM 331 N ALA A 21 6.596 -0.120 -10.030 1.00 0.00 N ATOM 332 CA ALA A 21 7.479 1.080 -9.984 1.00 0.00 C ATOM 333 C ALA A 21 6.720 2.345 -10.403 1.00 0.00 C ATOM 334 O ALA A 21 6.207 3.064 -9.571 1.00 0.00 O ATOM 335 CB ALA A 21 8.579 0.749 -10.977 1.00 0.00 C ATOM 0 H ALA A 21 6.881 -0.833 -10.701 1.00 0.00 H new ATOM 0 HA ALA A 21 7.858 1.287 -8.983 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.290 1.574 -11.021 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.095 -0.158 -10.660 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.143 0.592 -11.964 1.00 0.00 H new ATOM 341 N MET A 22 6.639 2.627 -11.679 1.00 0.00 N ATOM 342 CA MET A 22 5.901 3.850 -12.123 1.00 0.00 C ATOM 343 C MET A 22 4.589 3.951 -11.347 1.00 0.00 C ATOM 344 O MET A 22 4.059 5.019 -11.113 1.00 0.00 O ATOM 345 CB MET A 22 5.633 3.633 -13.614 1.00 0.00 C ATOM 346 CG MET A 22 5.853 4.944 -14.367 1.00 0.00 C ATOM 347 SD MET A 22 6.119 4.593 -16.122 1.00 0.00 S ATOM 348 CE MET A 22 7.851 5.109 -16.188 1.00 0.00 C ATOM 0 H MET A 22 7.048 2.068 -12.428 1.00 0.00 H new ATOM 0 HA MET A 22 6.458 4.770 -11.948 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.296 2.861 -14.005 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.612 3.282 -13.764 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.989 5.597 -14.242 1.00 0.00 H new ATOM 0 HG3 MET A 22 6.713 5.472 -13.956 1.00 0.00 H new ATOM 0 HE1 MET A 22 8.232 4.976 -17.201 1.00 0.00 H new ATOM 0 HE2 MET A 22 7.929 6.159 -15.906 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.438 4.503 -15.497 1.00 0.00 H new ATOM 358 N LEU A 23 4.078 2.828 -10.943 1.00 0.00 N ATOM 359 CA LEU A 23 2.809 2.788 -10.168 1.00 0.00 C ATOM 360 C LEU A 23 2.982 3.520 -8.833 1.00 0.00 C ATOM 361 O LEU A 23 2.023 3.864 -8.172 1.00 0.00 O ATOM 362 CB LEU A 23 2.604 1.284 -9.958 1.00 0.00 C ATOM 363 CG LEU A 23 1.554 0.993 -8.885 1.00 0.00 C ATOM 364 CD1 LEU A 23 1.201 -0.491 -8.959 1.00 0.00 C ATOM 365 CD2 LEU A 23 2.113 1.293 -7.491 1.00 0.00 C ATOM 0 H LEU A 23 4.495 1.914 -11.120 1.00 0.00 H new ATOM 0 HA LEU A 23 1.966 3.271 -10.662 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.298 0.825 -10.898 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.551 0.825 -9.673 1.00 0.00 H new ATOM 0 HG LEU A 23 0.678 1.618 -9.056 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.452 -0.725 -8.202 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.803 -0.721 -9.947 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.096 -1.087 -8.781 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.352 1.080 -6.740 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.988 0.669 -7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.398 2.344 -7.431 1.00 0.00 H new ATOM 377 N ILE A 24 4.198 3.737 -8.422 1.00 0.00 N ATOM 378 CA ILE A 24 4.437 4.415 -7.118 1.00 0.00 C ATOM 379 C ILE A 24 4.900 5.866 -7.323 1.00 0.00 C ATOM 380 O ILE A 24 4.456 6.772 -6.645 1.00 0.00 O ATOM 381 CB ILE A 24 5.526 3.556 -6.457 1.00 0.00 C ATOM 382 CG1 ILE A 24 5.315 3.532 -4.942 1.00 0.00 C ATOM 383 CG2 ILE A 24 6.920 4.112 -6.770 1.00 0.00 C ATOM 384 CD1 ILE A 24 5.817 2.197 -4.383 1.00 0.00 C ATOM 0 H ILE A 24 5.040 3.474 -8.934 1.00 0.00 H new ATOM 0 HA ILE A 24 3.538 4.489 -6.506 1.00 0.00 H new ATOM 0 HB ILE A 24 5.456 2.544 -6.855 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.850 4.359 -4.475 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.259 3.663 -4.708 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.676 3.489 -6.292 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.078 4.112 -7.848 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.998 5.131 -6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.668 2.176 -3.303 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.262 1.379 -4.842 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.878 2.085 -4.606 1.00 0.00 H new ATOM 396 N GLU A 25 5.798 6.089 -8.242 1.00 0.00 N ATOM 397 CA GLU A 25 6.299 7.475 -8.477 1.00 0.00 C ATOM 398 C GLU A 25 5.191 8.363 -9.052 1.00 0.00 C ATOM 399 O GLU A 25 5.221 9.571 -8.922 1.00 0.00 O ATOM 400 CB GLU A 25 7.433 7.309 -9.487 1.00 0.00 C ATOM 401 CG GLU A 25 8.675 6.761 -8.780 1.00 0.00 C ATOM 402 CD GLU A 25 9.620 7.915 -8.442 1.00 0.00 C ATOM 403 OE1 GLU A 25 9.714 8.831 -9.241 1.00 0.00 O ATOM 404 OE2 GLU A 25 10.235 7.863 -7.389 1.00 0.00 O ATOM 0 H GLU A 25 6.207 5.372 -8.841 1.00 0.00 H new ATOM 0 HA GLU A 25 6.631 7.955 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.127 6.631 -10.284 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.661 8.267 -9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.386 6.235 -7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.181 6.038 -9.419 1.00 0.00 H new ATOM 411 N ASP A 26 4.214 7.782 -9.690 1.00 0.00 N ATOM 412 CA ASP A 26 3.116 8.607 -10.268 1.00 0.00 C ATOM 413 C ASP A 26 2.109 8.987 -9.177 1.00 0.00 C ATOM 414 O ASP A 26 1.623 10.099 -9.127 1.00 0.00 O ATOM 415 CB ASP A 26 2.468 7.714 -11.334 1.00 0.00 C ATOM 416 CG ASP A 26 1.480 6.743 -10.677 1.00 0.00 C ATOM 417 OD1 ASP A 26 1.933 5.793 -10.059 1.00 0.00 O ATOM 418 OD2 ASP A 26 0.287 6.968 -10.802 1.00 0.00 O ATOM 0 H ASP A 26 4.128 6.776 -9.836 1.00 0.00 H new ATOM 0 HA ASP A 26 3.477 9.543 -10.695 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.950 8.330 -12.070 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.237 7.156 -11.869 1.00 0.00 H new ATOM 423 N THR A 27 1.794 8.070 -8.304 1.00 0.00 N ATOM 424 CA THR A 27 0.821 8.378 -7.219 1.00 0.00 C ATOM 425 C THR A 27 1.400 9.439 -6.284 1.00 0.00 C ATOM 426 O THR A 27 0.763 10.430 -5.976 1.00 0.00 O ATOM 427 CB THR A 27 0.627 7.057 -6.475 1.00 0.00 C ATOM 428 OG1 THR A 27 1.863 6.357 -6.430 1.00 0.00 O ATOM 429 CG2 THR A 27 -0.416 6.209 -7.202 1.00 0.00 C ATOM 0 H THR A 27 2.168 7.121 -8.295 1.00 0.00 H new ATOM 0 HA THR A 27 -0.120 8.770 -7.604 1.00 0.00 H new ATOM 0 HB THR A 27 0.284 7.257 -5.460 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.828 5.593 -7.042 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.554 5.267 -6.671 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.363 6.748 -7.237 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.076 6.006 -8.218 1.00 0.00 H new ATOM 437 N LEU A 28 2.608 9.244 -5.834 1.00 0.00 N ATOM 438 CA LEU A 28 3.229 10.246 -4.930 1.00 0.00 C ATOM 439 C LEU A 28 3.419 11.555 -5.698 1.00 0.00 C ATOM 440 O LEU A 28 3.477 12.622 -5.119 1.00 0.00 O ATOM 441 CB LEU A 28 4.548 9.586 -4.479 1.00 0.00 C ATOM 442 CG LEU A 28 5.799 10.335 -4.967 1.00 0.00 C ATOM 443 CD1 LEU A 28 5.827 10.369 -6.493 1.00 0.00 C ATOM 444 CD2 LEU A 28 5.813 11.760 -4.413 1.00 0.00 C ATOM 0 H LEU A 28 3.189 8.435 -6.054 1.00 0.00 H new ATOM 0 HA LEU A 28 2.631 10.509 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.566 9.533 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.579 8.561 -4.849 1.00 0.00 H new ATOM 0 HG LEU A 28 6.683 9.809 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.717 10.902 -6.829 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.847 9.350 -6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.938 10.880 -6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.704 12.279 -4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.924 12.292 -4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.821 11.727 -3.324 1.00 0.00 H new ATOM 456 N CYS A 29 3.493 11.487 -7.000 1.00 0.00 N ATOM 457 CA CYS A 29 3.650 12.737 -7.790 1.00 0.00 C ATOM 458 C CYS A 29 2.431 13.625 -7.551 1.00 0.00 C ATOM 459 O CYS A 29 2.428 14.800 -7.862 1.00 0.00 O ATOM 460 CB CYS A 29 3.710 12.288 -9.252 1.00 0.00 C ATOM 461 SG CYS A 29 5.293 12.790 -9.972 1.00 0.00 S ATOM 0 H CYS A 29 3.452 10.626 -7.545 1.00 0.00 H new ATOM 0 HA CYS A 29 4.539 13.305 -7.515 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.596 11.206 -9.316 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.887 12.729 -9.813 1.00 0.00 H new ATOM 0 HG CYS A 29 5.346 12.407 -11.213 1.00 0.00 H new ATOM 467 N GLU A 30 1.389 13.060 -7.001 1.00 0.00 N ATOM 468 CA GLU A 30 0.158 13.849 -6.739 1.00 0.00 C ATOM 469 C GLU A 30 0.127 14.346 -5.290 1.00 0.00 C ATOM 470 O GLU A 30 -0.061 15.518 -5.034 1.00 0.00 O ATOM 471 CB GLU A 30 -0.997 12.880 -7.000 1.00 0.00 C ATOM 472 CG GLU A 30 -2.269 13.670 -7.321 1.00 0.00 C ATOM 473 CD GLU A 30 -2.891 13.131 -8.611 1.00 0.00 C ATOM 474 OE1 GLU A 30 -2.153 12.926 -9.561 1.00 0.00 O ATOM 475 OE2 GLU A 30 -4.095 12.932 -8.627 1.00 0.00 O ATOM 0 H GLU A 30 1.341 12.080 -6.722 1.00 0.00 H new ATOM 0 HA GLU A 30 0.101 14.735 -7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.749 12.218 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.160 12.249 -6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.980 13.586 -6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.034 14.729 -7.432 1.00 0.00 H new ATOM 482 N LEU A 31 0.293 13.465 -4.337 1.00 0.00 N ATOM 483 CA LEU A 31 0.252 13.905 -2.907 1.00 0.00 C ATOM 484 C LEU A 31 1.592 14.511 -2.480 1.00 0.00 C ATOM 485 O LEU A 31 1.661 15.644 -2.049 1.00 0.00 O ATOM 486 CB LEU A 31 -0.016 12.629 -2.110 1.00 0.00 C ATOM 487 CG LEU A 31 -1.373 12.049 -2.501 1.00 0.00 C ATOM 488 CD1 LEU A 31 -1.187 10.610 -2.985 1.00 0.00 C ATOM 489 CD2 LEU A 31 -2.295 12.058 -1.281 1.00 0.00 C ATOM 0 H LEU A 31 0.454 12.468 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.507 14.670 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.770 11.899 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.003 12.846 -1.042 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.813 12.649 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.154 10.192 -3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.523 10.600 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.751 10.011 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.266 11.645 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.855 11.454 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.423 13.082 -0.929 1.00 0.00 H new ATOM 501 N GLY A 32 2.655 13.763 -2.586 1.00 0.00 N ATOM 502 CA GLY A 32 3.984 14.293 -2.178 1.00 0.00 C ATOM 503 C GLY A 32 4.768 13.155 -1.539 1.00 0.00 C ATOM 504 O GLY A 32 5.778 12.721 -2.051 1.00 0.00 O ATOM 0 H GLY A 32 2.660 12.806 -2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.519 14.686 -3.042 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.866 15.117 -1.474 1.00 0.00 H new ATOM 508 N HIS A 33 4.275 12.642 -0.446 1.00 0.00 N ATOM 509 CA HIS A 33 4.946 11.498 0.223 1.00 0.00 C ATOM 510 C HIS A 33 6.473 11.673 0.261 1.00 0.00 C ATOM 511 O HIS A 33 7.017 12.663 -0.183 1.00 0.00 O ATOM 512 CB HIS A 33 4.541 10.317 -0.646 1.00 0.00 C ATOM 513 CG HIS A 33 3.194 9.817 -0.200 1.00 0.00 C ATOM 514 ND1 HIS A 33 2.177 9.526 -1.096 1.00 0.00 N ATOM 515 CD2 HIS A 33 2.672 9.581 1.048 1.00 0.00 C ATOM 516 CE1 HIS A 33 1.103 9.139 -0.380 1.00 0.00 C ATOM 517 NE2 HIS A 33 1.353 9.152 0.931 1.00 0.00 N ATOM 0 H HIS A 33 3.427 12.972 0.015 1.00 0.00 H new ATOM 0 HA HIS A 33 4.657 11.385 1.268 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.503 10.616 -1.693 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.282 9.521 -0.568 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.204 9.709 1.979 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.156 8.853 -0.814 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.714 8.901 1.686 1.00 0.00 H new ATOM 525 N GLU A 34 7.162 10.717 0.817 1.00 0.00 N ATOM 526 CA GLU A 34 8.656 10.816 0.906 1.00 0.00 C ATOM 527 C GLU A 34 9.335 9.854 -0.085 1.00 0.00 C ATOM 528 O GLU A 34 9.907 10.271 -1.073 1.00 0.00 O ATOM 529 CB GLU A 34 8.998 10.422 2.343 1.00 0.00 C ATOM 530 CG GLU A 34 10.467 10.754 2.625 1.00 0.00 C ATOM 531 CD GLU A 34 10.553 11.750 3.782 1.00 0.00 C ATOM 532 OE1 GLU A 34 9.731 11.658 4.679 1.00 0.00 O ATOM 533 OE2 GLU A 34 11.439 12.588 3.752 1.00 0.00 O ATOM 0 H GLU A 34 6.760 9.868 1.216 1.00 0.00 H new ATOM 0 HA GLU A 34 9.006 11.818 0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.353 10.955 3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.819 9.357 2.492 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.015 9.845 2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.933 11.175 1.734 1.00 0.00 H new ATOM 540 N VAL A 35 9.268 8.572 0.168 1.00 0.00 N ATOM 541 CA VAL A 35 9.898 7.572 -0.756 1.00 0.00 C ATOM 542 C VAL A 35 9.304 6.193 -0.465 1.00 0.00 C ATOM 543 O VAL A 35 9.748 5.486 0.417 1.00 0.00 O ATOM 544 CB VAL A 35 11.403 7.591 -0.452 1.00 0.00 C ATOM 545 CG1 VAL A 35 12.081 8.670 -1.298 1.00 0.00 C ATOM 546 CG2 VAL A 35 11.639 7.884 1.033 1.00 0.00 C ATOM 0 H VAL A 35 8.801 8.169 0.980 1.00 0.00 H new ATOM 0 HA VAL A 35 9.718 7.805 -1.806 1.00 0.00 H new ATOM 0 HB VAL A 35 11.825 6.615 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 35 13.149 8.684 -1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.927 8.454 -2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.650 9.643 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.710 7.895 1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.212 8.855 1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.163 7.111 1.636 1.00 0.00 H new ATOM 556 N ALA A 36 8.282 5.822 -1.184 1.00 0.00 N ATOM 557 CA ALA A 36 7.618 4.523 -0.943 1.00 0.00 C ATOM 558 C ALA A 36 8.495 3.364 -1.383 1.00 0.00 C ATOM 559 O ALA A 36 9.682 3.505 -1.604 1.00 0.00 O ATOM 560 CB ALA A 36 6.353 4.583 -1.793 1.00 0.00 C ATOM 0 H ALA A 36 7.877 6.376 -1.938 1.00 0.00 H new ATOM 0 HA ALA A 36 7.411 4.361 0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.792 3.655 -1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.737 5.422 -1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.624 4.714 -2.840 1.00 0.00 H new ATOM 566 N ALA A 37 7.905 2.216 -1.508 1.00 0.00 N ATOM 567 CA ALA A 37 8.675 1.024 -1.931 1.00 0.00 C ATOM 568 C ALA A 37 7.954 0.342 -3.092 1.00 0.00 C ATOM 569 O ALA A 37 6.748 0.202 -3.090 1.00 0.00 O ATOM 570 CB ALA A 37 8.697 0.137 -0.695 1.00 0.00 C ATOM 0 H ALA A 37 6.914 2.051 -1.334 1.00 0.00 H new ATOM 0 HA ALA A 37 9.682 1.255 -2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.250 -0.777 -0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.182 0.667 0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.676 -0.116 -0.410 1.00 0.00 H new ATOM 576 N THR A 38 8.682 -0.057 -4.092 1.00 0.00 N ATOM 577 CA THR A 38 8.041 -0.704 -5.269 1.00 0.00 C ATOM 578 C THR A 38 8.717 -2.037 -5.607 1.00 0.00 C ATOM 579 O THR A 38 9.925 -2.113 -5.703 1.00 0.00 O ATOM 580 CB THR A 38 8.228 0.300 -6.404 1.00 0.00 C ATOM 581 OG1 THR A 38 7.339 -0.025 -7.457 1.00 0.00 O ATOM 582 CG2 THR A 38 9.671 0.251 -6.913 1.00 0.00 C ATOM 0 H THR A 38 9.696 0.036 -4.147 1.00 0.00 H new ATOM 0 HA THR A 38 6.992 -0.939 -5.086 1.00 0.00 H new ATOM 0 HB THR A 38 8.018 1.306 -6.040 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.530 0.523 -7.383 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.796 0.970 -7.723 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.352 0.499 -6.099 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.893 -0.751 -7.280 1.00 0.00 H new ATOM 590 N ALA A 39 7.915 -3.075 -5.767 1.00 0.00 N ATOM 591 CA ALA A 39 8.406 -4.466 -6.091 1.00 0.00 C ATOM 592 C ALA A 39 8.196 -5.336 -4.871 1.00 0.00 C ATOM 593 O ALA A 39 7.914 -4.844 -3.809 1.00 0.00 O ATOM 594 CB ALA A 39 9.892 -4.398 -6.430 1.00 0.00 C ATOM 0 H ALA A 39 6.901 -3.011 -5.683 1.00 0.00 H new ATOM 0 HA ALA A 39 7.864 -4.881 -6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.258 -5.397 -6.666 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.039 -3.745 -7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.442 -4.003 -5.576 1.00 0.00 H new ATOM 600 N SER A 40 8.308 -6.620 -4.992 1.00 0.00 N ATOM 601 CA SER A 40 8.077 -7.454 -3.790 1.00 0.00 C ATOM 602 C SER A 40 9.369 -8.075 -3.279 1.00 0.00 C ATOM 603 O SER A 40 10.054 -8.804 -3.968 1.00 0.00 O ATOM 604 CB SER A 40 7.071 -8.513 -4.220 1.00 0.00 C ATOM 605 OG SER A 40 7.748 -9.562 -4.899 1.00 0.00 O ATOM 0 H SER A 40 8.544 -7.121 -5.849 1.00 0.00 H new ATOM 0 HA SER A 40 7.699 -6.861 -2.958 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.548 -8.908 -3.349 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.317 -8.071 -4.871 1.00 0.00 H new ATOM 0 HG SER A 40 8.692 -9.324 -5.010 1.00 0.00 H new ATOM 611 N ARG A 41 9.689 -7.778 -2.053 1.00 0.00 N ATOM 612 CA ARG A 41 10.914 -8.318 -1.431 1.00 0.00 C ATOM 613 C ARG A 41 10.556 -8.938 -0.078 1.00 0.00 C ATOM 614 O ARG A 41 9.900 -8.326 0.742 1.00 0.00 O ATOM 615 CB ARG A 41 11.823 -7.107 -1.254 1.00 0.00 C ATOM 616 CG ARG A 41 13.266 -7.577 -1.092 1.00 0.00 C ATOM 617 CD ARG A 41 13.800 -8.023 -2.454 1.00 0.00 C ATOM 618 NE ARG A 41 15.254 -8.252 -2.241 1.00 0.00 N ATOM 619 CZ ARG A 41 15.847 -9.251 -2.832 1.00 0.00 C ATOM 620 NH1 ARG A 41 15.865 -10.426 -2.264 1.00 0.00 N ATOM 621 NH2 ARG A 41 16.424 -9.077 -3.989 1.00 0.00 N ATOM 0 H ARG A 41 9.137 -7.170 -1.448 1.00 0.00 H new ATOM 0 HA ARG A 41 11.395 -9.095 -2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.739 -6.446 -2.116 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.516 -6.532 -0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.882 -6.772 -0.692 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.316 -8.401 -0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.303 -8.931 -2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.628 -7.261 -3.214 1.00 0.00 H new ATOM 0 HE ARG A 41 15.786 -7.629 -1.634 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.415 -10.562 -1.359 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.329 -11.209 -2.726 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.411 -8.158 -4.432 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.888 -9.860 -4.450 1.00 0.00 H new ATOM 635 N MET A 42 10.958 -10.155 0.151 1.00 0.00 N ATOM 636 CA MET A 42 10.617 -10.825 1.437 1.00 0.00 C ATOM 637 C MET A 42 11.209 -10.076 2.637 1.00 0.00 C ATOM 638 O MET A 42 10.630 -10.055 3.705 1.00 0.00 O ATOM 639 CB MET A 42 11.219 -12.223 1.314 1.00 0.00 C ATOM 640 CG MET A 42 10.604 -12.926 0.102 1.00 0.00 C ATOM 641 SD MET A 42 11.207 -14.631 0.023 1.00 0.00 S ATOM 642 CE MET A 42 10.555 -15.175 1.621 1.00 0.00 C ATOM 0 H MET A 42 11.509 -10.717 -0.498 1.00 0.00 H new ATOM 0 HA MET A 42 9.541 -10.849 1.609 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.301 -12.158 1.202 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.026 -12.797 2.220 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.517 -12.917 0.176 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.866 -12.394 -0.812 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.359 -16.247 1.588 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.285 -14.963 2.403 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.628 -14.643 1.836 1.00 0.00 H new ATOM 652 N GLN A 43 12.352 -9.465 2.484 1.00 0.00 N ATOM 653 CA GLN A 43 12.950 -8.733 3.638 1.00 0.00 C ATOM 654 C GLN A 43 12.193 -7.428 3.895 1.00 0.00 C ATOM 655 O GLN A 43 11.741 -7.172 4.994 1.00 0.00 O ATOM 656 CB GLN A 43 14.394 -8.441 3.234 1.00 0.00 C ATOM 657 CG GLN A 43 15.301 -8.630 4.451 1.00 0.00 C ATOM 658 CD GLN A 43 16.397 -7.562 4.445 1.00 0.00 C ATOM 659 OE1 GLN A 43 16.584 -6.874 3.462 1.00 0.00 O ATOM 660 NE2 GLN A 43 17.135 -7.394 5.509 1.00 0.00 N ATOM 0 H GLN A 43 12.893 -9.440 1.620 1.00 0.00 H new ATOM 0 HA GLN A 43 12.897 -9.317 4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.701 -9.108 2.428 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.480 -7.423 2.855 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.716 -8.560 5.368 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.748 -9.624 4.433 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.978 -7.972 6.335 1.00 0.00 H new ATOM 0 HE22 GLN A 43 17.868 -6.685 5.514 1.00 0.00 H new ATOM 669 N GLU A 44 12.050 -6.598 2.897 1.00 0.00 N ATOM 670 CA GLU A 44 11.320 -5.315 3.104 1.00 0.00 C ATOM 671 C GLU A 44 9.886 -5.601 3.554 1.00 0.00 C ATOM 672 O GLU A 44 9.402 -5.026 4.508 1.00 0.00 O ATOM 673 CB GLU A 44 11.329 -4.611 1.748 1.00 0.00 C ATOM 674 CG GLU A 44 12.556 -3.700 1.648 1.00 0.00 C ATOM 675 CD GLU A 44 13.817 -4.499 1.982 1.00 0.00 C ATOM 676 OE1 GLU A 44 13.919 -5.627 1.527 1.00 0.00 O ATOM 677 OE2 GLU A 44 14.660 -3.969 2.687 1.00 0.00 O ATOM 0 H GLU A 44 12.405 -6.752 1.953 1.00 0.00 H new ATOM 0 HA GLU A 44 11.784 -4.698 3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.345 -5.348 0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.418 -4.025 1.625 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.632 -3.285 0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.454 -2.859 2.334 1.00 0.00 H new ATOM 684 N ALA A 45 9.207 -6.494 2.881 1.00 0.00 N ATOM 685 CA ALA A 45 7.810 -6.819 3.289 1.00 0.00 C ATOM 686 C ALA A 45 7.754 -6.947 4.810 1.00 0.00 C ATOM 687 O ALA A 45 7.054 -6.221 5.482 1.00 0.00 O ATOM 688 CB ALA A 45 7.501 -8.160 2.624 1.00 0.00 C ATOM 0 H ALA A 45 9.557 -7.008 2.073 1.00 0.00 H new ATOM 0 HA ALA A 45 7.092 -6.054 2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.486 -8.467 2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.589 -8.059 1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.207 -8.912 2.977 1.00 0.00 H new ATOM 694 N LEU A 46 8.514 -7.848 5.360 1.00 0.00 N ATOM 695 CA LEU A 46 8.527 -7.998 6.837 1.00 0.00 C ATOM 696 C LEU A 46 8.715 -6.622 7.473 1.00 0.00 C ATOM 697 O LEU A 46 8.089 -6.281 8.457 1.00 0.00 O ATOM 698 CB LEU A 46 9.738 -8.886 7.117 1.00 0.00 C ATOM 699 CG LEU A 46 10.147 -8.754 8.584 1.00 0.00 C ATOM 700 CD1 LEU A 46 10.717 -10.086 9.072 1.00 0.00 C ATOM 701 CD2 LEU A 46 11.213 -7.664 8.718 1.00 0.00 C ATOM 0 H LEU A 46 9.126 -8.486 4.851 1.00 0.00 H new ATOM 0 HA LEU A 46 7.607 -8.424 7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.500 -9.925 6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.568 -8.600 6.471 1.00 0.00 H new ATOM 0 HG LEU A 46 9.277 -8.488 9.184 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.010 -9.995 10.118 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.960 -10.864 8.973 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.589 -10.350 8.473 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.506 -7.568 9.763 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.084 -7.932 8.120 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.809 -6.715 8.366 1.00 0.00 H new ATOM 713 N ASP A 47 9.585 -5.834 6.906 1.00 0.00 N ATOM 714 CA ASP A 47 9.844 -4.475 7.453 1.00 0.00 C ATOM 715 C ASP A 47 8.570 -3.621 7.420 1.00 0.00 C ATOM 716 O ASP A 47 8.192 -3.027 8.406 1.00 0.00 O ATOM 717 CB ASP A 47 10.913 -3.878 6.536 1.00 0.00 C ATOM 718 CG ASP A 47 12.136 -3.475 7.365 1.00 0.00 C ATOM 719 OD1 ASP A 47 12.598 -4.295 8.141 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.590 -2.353 7.208 1.00 0.00 O ATOM 0 H ASP A 47 10.132 -6.076 6.080 1.00 0.00 H new ATOM 0 HA ASP A 47 10.166 -4.510 8.494 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.200 -4.604 5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.514 -3.009 6.013 1.00 0.00 H new ATOM 725 N ILE A 48 7.903 -3.549 6.300 1.00 0.00 N ATOM 726 CA ILE A 48 6.659 -2.713 6.243 1.00 0.00 C ATOM 727 C ILE A 48 5.660 -3.215 7.291 1.00 0.00 C ATOM 728 O ILE A 48 4.801 -2.487 7.747 1.00 0.00 O ATOM 729 CB ILE A 48 6.081 -2.836 4.811 1.00 0.00 C ATOM 730 CG1 ILE A 48 5.083 -3.997 4.729 1.00 0.00 C ATOM 731 CG2 ILE A 48 7.199 -3.060 3.788 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.638 -4.178 3.278 1.00 0.00 C ATOM 0 H ILE A 48 8.156 -4.023 5.433 1.00 0.00 H new ATOM 0 HA ILE A 48 6.871 -1.667 6.463 1.00 0.00 H new ATOM 0 HB ILE A 48 5.569 -1.902 4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.543 -4.914 5.098 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.220 -3.796 5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.768 -3.143 2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.891 -2.218 3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.735 -3.978 4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.928 -5.003 3.215 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.162 -3.262 2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.506 -4.398 2.656 1.00 0.00 H new ATOM 744 N ALA A 49 5.775 -4.456 7.674 1.00 0.00 N ATOM 745 CA ALA A 49 4.847 -5.017 8.689 1.00 0.00 C ATOM 746 C ALA A 49 5.345 -4.679 10.099 1.00 0.00 C ATOM 747 O ALA A 49 4.579 -4.313 10.970 1.00 0.00 O ATOM 748 CB ALA A 49 4.872 -6.528 8.454 1.00 0.00 C ATOM 0 H ALA A 49 6.477 -5.108 7.324 1.00 0.00 H new ATOM 0 HA ALA A 49 3.839 -4.610 8.603 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.209 -7.018 9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.537 -6.744 7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.888 -6.900 8.588 1.00 0.00 H new ATOM 754 N ARG A 50 6.624 -4.797 10.329 1.00 0.00 N ATOM 755 CA ARG A 50 7.173 -4.484 11.674 1.00 0.00 C ATOM 756 C ARG A 50 7.549 -3.003 11.759 1.00 0.00 C ATOM 757 O ARG A 50 7.786 -2.470 12.825 1.00 0.00 O ATOM 758 CB ARG A 50 8.419 -5.359 11.806 1.00 0.00 C ATOM 759 CG ARG A 50 8.010 -6.771 12.229 1.00 0.00 C ATOM 760 CD ARG A 50 7.102 -7.383 11.160 1.00 0.00 C ATOM 761 NE ARG A 50 6.893 -8.792 11.594 1.00 0.00 N ATOM 762 CZ ARG A 50 5.942 -9.505 11.057 1.00 0.00 C ATOM 763 NH1 ARG A 50 6.008 -9.835 9.796 1.00 0.00 N ATOM 764 NH2 ARG A 50 4.922 -9.886 11.778 1.00 0.00 N ATOM 0 H ARG A 50 7.313 -5.098 9.640 1.00 0.00 H new ATOM 0 HA ARG A 50 6.453 -4.676 12.469 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.954 -5.393 10.857 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.100 -4.931 12.541 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.896 -7.391 12.367 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.491 -6.739 13.187 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.156 -6.846 11.091 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.566 -7.338 10.175 1.00 0.00 H new ATOM 0 HE ARG A 50 7.493 -9.199 12.311 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.803 -9.535 9.231 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.265 -10.393 9.375 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.868 -9.626 12.763 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.179 -10.444 11.356 1.00 0.00 H new ATOM 778 N LYS A 51 7.611 -2.336 10.639 1.00 0.00 N ATOM 779 CA LYS A 51 7.979 -0.894 10.645 1.00 0.00 C ATOM 780 C LYS A 51 6.889 -0.068 11.335 1.00 0.00 C ATOM 781 O LYS A 51 7.161 0.715 12.224 1.00 0.00 O ATOM 782 CB LYS A 51 8.091 -0.514 9.169 1.00 0.00 C ATOM 783 CG LYS A 51 8.404 0.977 9.045 1.00 0.00 C ATOM 784 CD LYS A 51 9.914 1.166 8.890 1.00 0.00 C ATOM 785 CE LYS A 51 10.190 2.439 8.087 1.00 0.00 C ATOM 786 NZ LYS A 51 9.382 2.297 6.842 1.00 0.00 N ATOM 0 H LYS A 51 7.422 -2.730 9.717 1.00 0.00 H new ATOM 0 HA LYS A 51 8.905 -0.705 11.188 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.875 -1.101 8.690 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.159 -0.744 8.652 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.883 1.399 8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.048 1.510 9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.385 1.233 9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.349 0.303 8.385 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.899 3.328 8.646 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.251 2.539 7.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.864 2.782 6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.274 1.289 6.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.443 2.721 6.987 1.00 0.00 H new ATOM 800 N GLY A 52 5.658 -0.238 10.936 1.00 0.00 N ATOM 801 CA GLY A 52 4.551 0.533 11.572 1.00 0.00 C ATOM 802 C GLY A 52 4.617 2.003 11.142 1.00 0.00 C ATOM 803 O GLY A 52 3.649 2.559 10.662 1.00 0.00 O ATOM 0 H GLY A 52 5.370 -0.878 10.196 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.590 0.106 11.287 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.623 0.460 12.657 1.00 0.00 H new ATOM 807 N GLN A 53 5.745 2.642 11.318 1.00 0.00 N ATOM 808 CA GLN A 53 5.854 4.077 10.923 1.00 0.00 C ATOM 809 C GLN A 53 5.239 4.292 9.530 1.00 0.00 C ATOM 810 O GLN A 53 4.447 5.191 9.329 1.00 0.00 O ATOM 811 CB GLN A 53 7.366 4.389 10.962 1.00 0.00 C ATOM 812 CG GLN A 53 7.911 4.692 9.560 1.00 0.00 C ATOM 813 CD GLN A 53 9.305 5.317 9.674 1.00 0.00 C ATOM 814 OE1 GLN A 53 10.197 4.735 10.258 1.00 0.00 O ATOM 815 NE2 GLN A 53 9.532 6.485 9.136 1.00 0.00 N ATOM 0 H GLN A 53 6.591 2.234 11.716 1.00 0.00 H new ATOM 0 HA GLN A 53 5.308 4.746 11.588 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.546 5.242 11.616 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.903 3.541 11.388 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.959 3.776 8.972 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.239 5.372 9.037 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.784 6.975 8.645 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.458 6.908 9.206 1.00 0.00 H new ATOM 824 N PHE A 54 5.590 3.475 8.569 1.00 0.00 N ATOM 825 CA PHE A 54 5.006 3.652 7.206 1.00 0.00 C ATOM 826 C PHE A 54 3.489 3.832 7.325 1.00 0.00 C ATOM 827 O PHE A 54 2.891 3.471 8.319 1.00 0.00 O ATOM 828 CB PHE A 54 5.381 2.379 6.428 1.00 0.00 C ATOM 829 CG PHE A 54 4.390 1.266 6.697 1.00 0.00 C ATOM 830 CD1 PHE A 54 3.820 1.118 7.966 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.043 0.378 5.670 1.00 0.00 C ATOM 832 CE1 PHE A 54 2.906 0.087 8.211 1.00 0.00 C ATOM 833 CE2 PHE A 54 3.129 -0.652 5.915 1.00 0.00 C ATOM 834 CZ PHE A 54 2.560 -0.797 7.184 1.00 0.00 C ATOM 0 H PHE A 54 6.248 2.702 8.667 1.00 0.00 H new ATOM 0 HA PHE A 54 5.384 4.534 6.690 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.408 2.596 5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.382 2.056 6.713 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.086 1.801 8.759 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.481 0.489 4.689 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.468 -0.026 9.192 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.862 -1.336 5.123 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.853 -1.592 7.371 1.00 0.00 H new ATOM 844 N ASP A 55 2.859 4.419 6.346 1.00 0.00 N ATOM 845 CA ASP A 55 1.391 4.639 6.460 1.00 0.00 C ATOM 846 C ASP A 55 0.590 3.599 5.676 1.00 0.00 C ATOM 847 O ASP A 55 -0.606 3.497 5.844 1.00 0.00 O ATOM 848 CB ASP A 55 1.144 6.042 5.898 1.00 0.00 C ATOM 849 CG ASP A 55 1.473 6.084 4.401 1.00 0.00 C ATOM 850 OD1 ASP A 55 1.308 5.071 3.743 1.00 0.00 O ATOM 851 OD2 ASP A 55 1.884 7.135 3.938 1.00 0.00 O ATOM 0 H ASP A 55 3.290 4.752 5.483 1.00 0.00 H new ATOM 0 HA ASP A 55 1.065 4.543 7.496 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.104 6.326 6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.757 6.768 6.432 1.00 0.00 H new ATOM 856 N ILE A 56 1.211 2.831 4.818 1.00 0.00 N ATOM 857 CA ILE A 56 0.415 1.827 4.051 1.00 0.00 C ATOM 858 C ILE A 56 1.267 0.642 3.597 1.00 0.00 C ATOM 859 O ILE A 56 2.478 0.664 3.676 1.00 0.00 O ATOM 860 CB ILE A 56 -0.133 2.594 2.850 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.198 3.587 3.345 1.00 0.00 C ATOM 862 CG2 ILE A 56 -0.736 1.601 1.851 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.163 3.958 2.216 1.00 0.00 C ATOM 0 H ILE A 56 2.211 2.853 4.618 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.375 1.396 4.666 1.00 0.00 H new ATOM 0 HB ILE A 56 0.663 3.146 2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.753 3.148 4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.714 4.486 3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.129 2.143 0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.035 0.905 1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.543 1.047 2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.907 4.661 2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.607 4.418 1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.663 3.059 1.854 1.00 0.00 H new ATOM 875 N ALA A 57 0.629 -0.407 3.137 1.00 0.00 N ATOM 876 CA ALA A 57 1.388 -1.609 2.700 1.00 0.00 C ATOM 877 C ALA A 57 0.708 -2.276 1.505 1.00 0.00 C ATOM 878 O ALA A 57 -0.314 -2.913 1.647 1.00 0.00 O ATOM 879 CB ALA A 57 1.317 -2.540 3.905 1.00 0.00 C ATOM 0 H ALA A 57 -0.385 -0.478 3.047 1.00 0.00 H new ATOM 0 HA ALA A 57 2.405 -1.366 2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.852 -3.464 3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.774 -2.054 4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.275 -2.769 4.127 1.00 0.00 H new ATOM 885 N ILE A 58 1.272 -2.173 0.339 1.00 0.00 N ATOM 886 CA ILE A 58 0.643 -2.841 -0.824 1.00 0.00 C ATOM 887 C ILE A 58 1.486 -4.042 -1.223 1.00 0.00 C ATOM 888 O ILE A 58 2.663 -3.940 -1.490 1.00 0.00 O ATOM 889 CB ILE A 58 0.587 -1.793 -1.931 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.575 -0.845 -1.640 1.00 0.00 C ATOM 891 CG2 ILE A 58 0.363 -2.479 -3.279 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.044 0.389 -0.910 1.00 0.00 C ATOM 0 H ILE A 58 2.132 -1.661 0.143 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.359 -3.211 -0.608 1.00 0.00 H new ATOM 0 HB ILE A 58 1.525 -1.238 -1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.062 -0.551 -2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.327 -1.347 -1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.323 -1.728 -4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.183 -3.170 -3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.577 -3.030 -3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.869 1.070 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.424 0.085 0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.692 0.893 -1.536 1.00 0.00 H new ATOM 904 N ILE A 59 0.879 -5.182 -1.245 1.00 0.00 N ATOM 905 CA ILE A 59 1.608 -6.424 -1.606 1.00 0.00 C ATOM 906 C ILE A 59 0.644 -7.349 -2.362 1.00 0.00 C ATOM 907 O ILE A 59 0.152 -8.325 -1.833 1.00 0.00 O ATOM 908 CB ILE A 59 2.058 -7.037 -0.268 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.170 -6.189 0.349 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.580 -8.445 -0.502 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.294 -6.532 1.836 1.00 0.00 C ATOM 0 H ILE A 59 -0.108 -5.313 -1.025 1.00 0.00 H new ATOM 0 HA ILE A 59 2.469 -6.253 -2.252 1.00 0.00 H new ATOM 0 HB ILE A 59 1.205 -7.066 0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.115 -6.379 -0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.948 -5.129 0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.898 -8.877 0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.790 -9.059 -0.934 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.427 -8.410 -1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.086 -5.931 2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.350 -6.320 2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.535 -7.589 1.947 1.00 0.00 H new ATOM 923 N ASP A 60 0.345 -7.010 -3.588 1.00 0.00 N ATOM 924 CA ASP A 60 -0.623 -7.820 -4.394 1.00 0.00 C ATOM 925 C ASP A 60 -0.276 -9.311 -4.385 1.00 0.00 C ATOM 926 O ASP A 60 0.874 -9.697 -4.328 1.00 0.00 O ATOM 927 CB ASP A 60 -0.514 -7.260 -5.809 1.00 0.00 C ATOM 928 CG ASP A 60 -1.515 -6.118 -5.981 1.00 0.00 C ATOM 929 OD1 ASP A 60 -2.203 -5.812 -5.021 1.00 0.00 O ATOM 930 OD2 ASP A 60 -1.577 -5.567 -7.067 1.00 0.00 O ATOM 0 H ASP A 60 0.732 -6.200 -4.072 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.631 -7.750 -3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.499 -6.901 -5.993 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.712 -8.045 -6.539 1.00 0.00 H new ATOM 935 N VAL A 61 -1.281 -10.147 -4.457 1.00 0.00 N ATOM 936 CA VAL A 61 -1.048 -11.619 -4.468 1.00 0.00 C ATOM 937 C VAL A 61 -1.681 -12.238 -5.717 1.00 0.00 C ATOM 938 O VAL A 61 -1.849 -13.438 -5.813 1.00 0.00 O ATOM 939 CB VAL A 61 -1.724 -12.140 -3.200 1.00 0.00 C ATOM 940 CG1 VAL A 61 -3.236 -12.179 -3.405 1.00 0.00 C ATOM 941 CG2 VAL A 61 -1.220 -13.550 -2.897 1.00 0.00 C ATOM 0 H VAL A 61 -2.261 -9.868 -4.509 1.00 0.00 H new ATOM 0 HA VAL A 61 0.012 -11.873 -4.490 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.486 -11.479 -2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.716 -12.551 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.600 -11.175 -3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.473 -12.839 -4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.702 -13.922 -1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.458 -14.209 -3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.140 -13.527 -2.749 1.00 0.00 H new ATOM 951 N ASN A 62 -2.015 -11.427 -6.679 1.00 0.00 N ATOM 952 CA ASN A 62 -2.617 -11.963 -7.934 1.00 0.00 C ATOM 953 C ASN A 62 -2.140 -11.157 -9.143 1.00 0.00 C ATOM 954 O ASN A 62 -2.568 -11.382 -10.257 1.00 0.00 O ATOM 955 CB ASN A 62 -4.114 -11.794 -7.758 1.00 0.00 C ATOM 956 CG ASN A 62 -4.849 -12.598 -8.833 1.00 0.00 C ATOM 957 OD1 ASN A 62 -5.509 -12.036 -9.684 1.00 0.00 O ATOM 958 ND2 ASN A 62 -4.759 -13.901 -8.833 1.00 0.00 N ATOM 0 H ASN A 62 -1.898 -10.414 -6.653 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.335 -13.001 -8.108 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.415 -12.133 -6.767 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.383 -10.740 -7.830 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.243 -14.446 -9.547 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.205 -14.374 -8.119 1.00 0.00 H new ATOM 965 N LEU A 63 -1.256 -10.222 -8.935 1.00 0.00 N ATOM 966 CA LEU A 63 -0.754 -9.412 -10.072 1.00 0.00 C ATOM 967 C LEU A 63 0.679 -9.820 -10.389 1.00 0.00 C ATOM 968 O LEU A 63 1.531 -9.834 -9.526 1.00 0.00 O ATOM 969 CB LEU A 63 -0.806 -7.960 -9.594 1.00 0.00 C ATOM 970 CG LEU A 63 -1.498 -7.097 -10.652 1.00 0.00 C ATOM 971 CD1 LEU A 63 -2.950 -7.550 -10.811 1.00 0.00 C ATOM 972 CD2 LEU A 63 -1.466 -5.631 -10.215 1.00 0.00 C ATOM 0 H LEU A 63 -0.861 -9.986 -8.025 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.345 -9.553 -10.977 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.345 -7.897 -8.649 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.203 -7.590 -9.411 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.978 -7.204 -11.604 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.442 -6.935 -11.564 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.973 -8.594 -11.123 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.471 -7.444 -9.859 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.959 -5.016 -10.968 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.985 -5.524 -9.263 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.431 -5.307 -10.103 1.00 0.00 H new ATOM 984 N ASP A 64 0.941 -10.153 -11.620 1.00 0.00 N ATOM 985 CA ASP A 64 2.315 -10.563 -12.032 1.00 0.00 C ATOM 986 C ASP A 64 2.680 -11.961 -11.503 1.00 0.00 C ATOM 987 O ASP A 64 3.654 -12.541 -11.939 1.00 0.00 O ATOM 988 CB ASP A 64 3.263 -9.492 -11.477 1.00 0.00 C ATOM 989 CG ASP A 64 2.769 -8.103 -11.896 1.00 0.00 C ATOM 990 OD1 ASP A 64 1.600 -7.822 -11.695 1.00 0.00 O ATOM 991 OD2 ASP A 64 3.571 -7.343 -12.414 1.00 0.00 O ATOM 0 H ASP A 64 0.252 -10.159 -12.372 1.00 0.00 H new ATOM 0 HA ASP A 64 2.388 -10.634 -13.117 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.309 -9.560 -10.390 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.274 -9.658 -11.850 1.00 0.00 H new ATOM 996 N GLY A 65 1.920 -12.539 -10.597 1.00 0.00 N ATOM 997 CA GLY A 65 2.297 -13.914 -10.138 1.00 0.00 C ATOM 998 C GLY A 65 2.179 -14.061 -8.621 1.00 0.00 C ATOM 999 O GLY A 65 2.924 -14.797 -8.001 1.00 0.00 O ATOM 0 H GLY A 65 1.086 -12.135 -10.170 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.655 -14.648 -10.625 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.320 -14.132 -10.445 1.00 0.00 H new ATOM 1003 N GLU A 66 1.239 -13.403 -8.020 1.00 0.00 N ATOM 1004 CA GLU A 66 1.057 -13.538 -6.550 1.00 0.00 C ATOM 1005 C GLU A 66 2.386 -13.463 -5.798 1.00 0.00 C ATOM 1006 O GLU A 66 2.794 -14.412 -5.157 1.00 0.00 O ATOM 1007 CB GLU A 66 0.403 -14.909 -6.368 1.00 0.00 C ATOM 1008 CG GLU A 66 0.395 -15.291 -4.887 1.00 0.00 C ATOM 1009 CD GLU A 66 1.147 -16.609 -4.697 1.00 0.00 C ATOM 1010 OE1 GLU A 66 1.187 -17.387 -5.636 1.00 0.00 O ATOM 1011 OE2 GLU A 66 1.670 -16.819 -3.615 1.00 0.00 O ATOM 0 H GLU A 66 0.583 -12.773 -8.482 1.00 0.00 H new ATOM 0 HA GLU A 66 0.452 -12.727 -6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.617 -14.889 -6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.946 -15.659 -6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.863 -14.504 -4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.631 -15.390 -4.532 1.00 0.00 H new ATOM 1018 N PRO A 67 2.998 -12.316 -5.875 1.00 0.00 N ATOM 1019 CA PRO A 67 4.270 -12.080 -5.168 1.00 0.00 C ATOM 1020 C PRO A 67 3.986 -11.573 -3.749 1.00 0.00 C ATOM 1021 O PRO A 67 4.812 -10.933 -3.133 1.00 0.00 O ATOM 1022 CB PRO A 67 4.932 -10.993 -6.004 1.00 0.00 C ATOM 1023 CG PRO A 67 3.810 -10.272 -6.699 1.00 0.00 C ATOM 1024 CD PRO A 67 2.574 -11.143 -6.636 1.00 0.00 C ATOM 0 HA PRO A 67 4.888 -12.972 -5.064 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.506 -10.311 -5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.627 -11.423 -6.725 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.622 -9.311 -6.220 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.076 -10.065 -7.736 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.749 -10.627 -6.145 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.230 -11.418 -7.633 1.00 0.00 H new ATOM 1032 N SER A 68 2.811 -11.838 -3.238 1.00 0.00 N ATOM 1033 CA SER A 68 2.463 -11.352 -1.865 1.00 0.00 C ATOM 1034 C SER A 68 2.925 -12.340 -0.792 1.00 0.00 C ATOM 1035 O SER A 68 2.726 -12.115 0.384 1.00 0.00 O ATOM 1036 CB SER A 68 0.938 -11.250 -1.855 1.00 0.00 C ATOM 1037 OG SER A 68 0.391 -12.417 -1.253 1.00 0.00 O ATOM 0 H SER A 68 2.078 -12.368 -3.709 1.00 0.00 H new ATOM 0 HA SER A 68 2.950 -10.402 -1.645 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.625 -10.363 -1.305 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.563 -11.142 -2.873 1.00 0.00 H new ATOM 0 HG SER A 68 -0.431 -12.183 -0.773 1.00 0.00 H new ATOM 1043 N TYR A 69 3.526 -13.428 -1.190 1.00 0.00 N ATOM 1044 CA TYR A 69 3.993 -14.458 -0.206 1.00 0.00 C ATOM 1045 C TYR A 69 2.908 -14.747 0.841 1.00 0.00 C ATOM 1046 O TYR A 69 1.859 -14.118 0.871 1.00 0.00 O ATOM 1047 CB TYR A 69 5.275 -13.924 0.478 1.00 0.00 C ATOM 1048 CG TYR A 69 5.485 -12.443 0.250 1.00 0.00 C ATOM 1049 CD1 TYR A 69 6.127 -11.993 -0.908 1.00 0.00 C ATOM 1050 CD2 TYR A 69 5.057 -11.526 1.214 1.00 0.00 C ATOM 1051 CE1 TYR A 69 6.336 -10.622 -1.102 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.269 -10.156 1.023 1.00 0.00 C ATOM 1053 CZ TYR A 69 5.906 -9.705 -0.137 1.00 0.00 C ATOM 1054 OH TYR A 69 6.118 -8.359 -0.326 1.00 0.00 O ATOM 0 H TYR A 69 3.718 -13.654 -2.166 1.00 0.00 H new ATOM 0 HA TYR A 69 4.204 -15.393 -0.724 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.218 -14.118 1.549 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.138 -14.472 0.100 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.461 -12.702 -1.651 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.562 -11.875 2.108 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.829 -10.272 -1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.941 -9.448 1.770 1.00 0.00 H new ATOM 0 HH TYR A 69 7.013 -8.218 -0.699 1.00 0.00 H new ATOM 1064 N PRO A 70 3.195 -15.703 1.681 1.00 0.00 N ATOM 1065 CA PRO A 70 2.236 -16.075 2.742 1.00 0.00 C ATOM 1066 C PRO A 70 2.082 -14.930 3.742 1.00 0.00 C ATOM 1067 O PRO A 70 1.265 -14.990 4.639 1.00 0.00 O ATOM 1068 CB PRO A 70 2.865 -17.310 3.383 1.00 0.00 C ATOM 1069 CG PRO A 70 4.321 -17.192 3.078 1.00 0.00 C ATOM 1070 CD PRO A 70 4.416 -16.519 1.735 1.00 0.00 C ATOM 0 HA PRO A 70 1.232 -16.276 2.369 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.686 -17.334 4.458 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.447 -18.228 2.970 1.00 0.00 H new ATOM 0 HG2 PRO A 70 4.833 -16.608 3.843 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.795 -18.173 3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.314 -15.906 1.654 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.452 -17.245 0.923 1.00 0.00 H new ATOM 1078 N VAL A 71 2.845 -13.876 3.596 1.00 0.00 N ATOM 1079 CA VAL A 71 2.697 -12.747 4.546 1.00 0.00 C ATOM 1080 C VAL A 71 1.503 -11.895 4.128 1.00 0.00 C ATOM 1081 O VAL A 71 0.481 -11.956 4.758 1.00 0.00 O ATOM 1082 CB VAL A 71 4.007 -11.952 4.504 1.00 0.00 C ATOM 1083 CG1 VAL A 71 4.188 -11.213 5.830 1.00 0.00 C ATOM 1084 CG2 VAL A 71 5.189 -12.905 4.299 1.00 0.00 C ATOM 0 H VAL A 71 3.551 -13.754 2.870 1.00 0.00 H new ATOM 0 HA VAL A 71 2.512 -13.088 5.564 1.00 0.00 H new ATOM 0 HB VAL A 71 3.969 -11.240 3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.118 -10.646 5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.351 -10.532 5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.224 -11.934 6.647 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.117 -12.333 4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.228 -13.619 5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.064 -13.442 3.359 1.00 0.00 H new ATOM 1094 N ALA A 72 1.601 -11.137 3.054 1.00 0.00 N ATOM 1095 CA ALA A 72 0.419 -10.336 2.586 1.00 0.00 C ATOM 1096 C ALA A 72 -0.833 -11.147 2.864 1.00 0.00 C ATOM 1097 O ALA A 72 -1.866 -10.639 3.253 1.00 0.00 O ATOM 1098 CB ALA A 72 0.618 -10.222 1.087 1.00 0.00 C ATOM 0 H ALA A 72 2.443 -11.040 2.486 1.00 0.00 H new ATOM 0 HA ALA A 72 0.328 -9.364 3.070 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.202 -9.649 0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.562 -9.716 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.637 -11.218 0.646 1.00 0.00 H new ATOM 1104 N ASP A 73 -0.704 -12.431 2.701 1.00 0.00 N ATOM 1105 CA ASP A 73 -1.830 -13.343 2.985 1.00 0.00 C ATOM 1106 C ASP A 73 -2.140 -13.291 4.476 1.00 0.00 C ATOM 1107 O ASP A 73 -3.229 -12.954 4.906 1.00 0.00 O ATOM 1108 CB ASP A 73 -1.274 -14.711 2.638 1.00 0.00 C ATOM 1109 CG ASP A 73 -1.325 -14.924 1.124 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -1.999 -14.155 0.460 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -0.687 -15.852 0.655 1.00 0.00 O ATOM 0 H ASP A 73 0.148 -12.889 2.378 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.740 -13.097 2.437 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.247 -14.796 2.992 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.850 -15.486 3.143 1.00 0.00 H new ATOM 1116 N ILE A 74 -1.155 -13.607 5.264 1.00 0.00 N ATOM 1117 CA ILE A 74 -1.331 -13.568 6.739 1.00 0.00 C ATOM 1118 C ILE A 74 -1.646 -12.135 7.139 1.00 0.00 C ATOM 1119 O ILE A 74 -2.492 -11.872 7.966 1.00 0.00 O ATOM 1120 CB ILE A 74 0.011 -14.014 7.322 1.00 0.00 C ATOM 1121 CG1 ILE A 74 0.191 -15.517 7.095 1.00 0.00 C ATOM 1122 CG2 ILE A 74 0.038 -13.719 8.822 1.00 0.00 C ATOM 1123 CD1 ILE A 74 1.649 -15.899 7.354 1.00 0.00 C ATOM 0 H ILE A 74 -0.228 -13.893 4.947 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.138 -14.207 7.096 1.00 0.00 H new ATOM 0 HB ILE A 74 0.819 -13.472 6.830 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.467 -16.078 7.759 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.089 -15.778 6.074 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.994 -14.037 9.238 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.091 -12.649 8.985 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.770 -14.261 9.314 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.779 -16.969 7.193 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.296 -15.348 6.672 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.913 -15.652 8.383 1.00 0.00 H new ATOM 1135 N LEU A 75 -0.990 -11.202 6.519 1.00 0.00 N ATOM 1136 CA LEU A 75 -1.269 -9.784 6.816 1.00 0.00 C ATOM 1137 C LEU A 75 -2.782 -9.595 6.784 1.00 0.00 C ATOM 1138 O LEU A 75 -3.383 -9.126 7.727 1.00 0.00 O ATOM 1139 CB LEU A 75 -0.579 -9.021 5.684 1.00 0.00 C ATOM 1140 CG LEU A 75 0.231 -7.864 6.267 1.00 0.00 C ATOM 1141 CD1 LEU A 75 1.589 -8.387 6.742 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.444 -6.801 5.189 1.00 0.00 C ATOM 0 H LEU A 75 -0.269 -11.365 5.816 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.914 -9.442 7.788 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.075 -9.691 5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.321 -8.641 4.982 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.307 -7.427 7.108 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.170 -7.564 7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.438 -9.149 7.507 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.127 -8.821 5.899 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.022 -5.974 5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.985 -7.238 4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.523 -6.432 4.846 1.00 0.00 H new ATOM 1154 N ALA A 76 -3.403 -10.004 5.712 1.00 0.00 N ATOM 1155 CA ALA A 76 -4.883 -9.893 5.622 1.00 0.00 C ATOM 1156 C ALA A 76 -5.509 -10.436 6.905 1.00 0.00 C ATOM 1157 O ALA A 76 -6.517 -9.948 7.377 1.00 0.00 O ATOM 1158 CB ALA A 76 -5.269 -10.756 4.423 1.00 0.00 C ATOM 0 H ALA A 76 -2.948 -10.410 4.895 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.226 -8.865 5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.350 -10.728 4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.781 -10.373 3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.952 -11.784 4.598 1.00 0.00 H new ATOM 1164 N GLU A 77 -4.920 -11.451 7.475 1.00 0.00 N ATOM 1165 CA GLU A 77 -5.486 -12.023 8.728 1.00 0.00 C ATOM 1166 C GLU A 77 -5.265 -11.069 9.915 1.00 0.00 C ATOM 1167 O GLU A 77 -6.180 -10.783 10.661 1.00 0.00 O ATOM 1168 CB GLU A 77 -4.750 -13.346 8.948 1.00 0.00 C ATOM 1169 CG GLU A 77 -5.046 -14.295 7.784 1.00 0.00 C ATOM 1170 CD GLU A 77 -6.008 -15.391 8.250 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -6.827 -15.106 9.109 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -5.910 -16.495 7.742 1.00 0.00 O ATOM 0 H GLU A 77 -4.076 -11.907 7.129 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.563 -12.172 8.649 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.677 -13.169 9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.065 -13.798 9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.483 -13.742 6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.120 -14.740 7.419 1.00 0.00 H new ATOM 1179 N ARG A 78 -4.064 -10.577 10.108 1.00 0.00 N ATOM 1180 CA ARG A 78 -3.818 -9.656 11.257 1.00 0.00 C ATOM 1181 C ARG A 78 -3.985 -8.188 10.828 1.00 0.00 C ATOM 1182 O ARG A 78 -4.684 -7.434 11.466 1.00 0.00 O ATOM 1183 CB ARG A 78 -2.383 -9.950 11.724 1.00 0.00 C ATOM 1184 CG ARG A 78 -1.360 -9.342 10.758 1.00 0.00 C ATOM 1185 CD ARG A 78 0.057 -9.640 11.261 1.00 0.00 C ATOM 1186 NE ARG A 78 0.437 -8.447 12.070 1.00 0.00 N ATOM 1187 CZ ARG A 78 1.643 -7.955 11.980 1.00 0.00 C ATOM 1188 NH1 ARG A 78 2.126 -7.623 10.814 1.00 0.00 N ATOM 1189 NH2 ARG A 78 2.365 -7.795 13.057 1.00 0.00 N ATOM 0 H ARG A 78 -3.251 -10.773 9.524 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.533 -9.814 12.064 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.231 -9.544 12.724 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.231 -11.027 11.791 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.497 -9.755 9.759 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.511 -8.265 10.681 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.079 -10.549 11.863 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.747 -9.790 10.431 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.245 -8.015 12.694 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.561 -7.748 9.974 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.068 -7.239 10.743 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.986 -8.054 13.968 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.307 -7.411 12.987 1.00 0.00 H new ATOM 1203 N ASN A 79 -3.371 -7.800 9.739 1.00 0.00 N ATOM 1204 CA ASN A 79 -3.486 -6.403 9.219 1.00 0.00 C ATOM 1205 C ASN A 79 -3.304 -5.322 10.301 1.00 0.00 C ATOM 1206 O ASN A 79 -3.629 -5.490 11.457 1.00 0.00 O ATOM 1207 CB ASN A 79 -4.881 -6.328 8.617 1.00 0.00 C ATOM 1208 CG ASN A 79 -4.927 -7.124 7.310 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -5.914 -7.760 7.021 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -3.897 -7.113 6.501 1.00 0.00 N ATOM 0 H ASN A 79 -2.779 -8.409 9.174 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.692 -6.202 8.499 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.612 -6.725 9.321 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.151 -5.289 8.430 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.928 -7.640 5.629 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.064 -6.577 6.743 1.00 0.00 H new ATOM 1217 N VAL A 80 -2.783 -4.196 9.897 1.00 0.00 N ATOM 1218 CA VAL A 80 -2.564 -3.057 10.838 1.00 0.00 C ATOM 1219 C VAL A 80 -2.990 -1.759 10.118 1.00 0.00 C ATOM 1220 O VAL A 80 -3.751 -1.828 9.175 1.00 0.00 O ATOM 1221 CB VAL A 80 -1.060 -3.098 11.129 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -0.617 -4.547 11.356 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -0.294 -2.517 9.937 1.00 0.00 C ATOM 0 H VAL A 80 -2.494 -4.013 8.936 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.135 -3.109 11.765 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.851 -2.510 12.023 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.453 -4.572 11.563 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.160 -4.965 12.204 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.828 -5.136 10.464 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.776 -2.546 10.143 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.508 -3.106 9.045 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.604 -1.485 9.773 1.00 0.00 H new ATOM 1233 N PRO A 81 -2.498 -0.614 10.545 1.00 0.00 N ATOM 1234 CA PRO A 81 -2.882 0.642 9.856 1.00 0.00 C ATOM 1235 C PRO A 81 -2.143 0.727 8.523 1.00 0.00 C ATOM 1236 O PRO A 81 -0.930 0.718 8.483 1.00 0.00 O ATOM 1237 CB PRO A 81 -2.448 1.738 10.816 1.00 0.00 C ATOM 1238 CG PRO A 81 -1.363 1.132 11.648 1.00 0.00 C ATOM 1239 CD PRO A 81 -1.570 -0.365 11.659 1.00 0.00 C ATOM 0 HA PRO A 81 -3.945 0.715 9.626 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.086 2.613 10.276 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.281 2.069 11.437 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.384 1.379 11.238 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.393 1.529 12.663 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -0.629 -0.897 11.519 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -1.988 -0.701 12.608 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.872 0.786 7.435 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.232 0.828 6.088 1.00 0.00 C ATOM 1249 C PHE A 82 -3.285 0.685 4.973 1.00 0.00 C ATOM 1250 O PHE A 82 -4.316 1.331 4.983 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.300 -0.385 6.057 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.090 -1.681 6.163 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -3.471 -1.679 6.444 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -1.425 -2.899 5.986 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -4.167 -2.885 6.550 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -2.128 -4.105 6.090 1.00 0.00 C ATOM 1257 CZ PHE A 82 -3.497 -4.094 6.372 1.00 0.00 C ATOM 0 H PHE A 82 -3.892 0.807 7.425 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.712 1.772 5.924 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.723 -0.381 5.132 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.587 -0.321 6.879 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.992 -0.743 6.578 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.367 -2.909 5.769 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.224 -2.881 6.770 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.613 -5.044 5.952 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.037 -5.026 6.452 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.023 -0.183 4.021 1.00 0.00 N ATOM 1268 CA ILE A 83 -3.973 -0.423 2.903 1.00 0.00 C ATOM 1269 C ILE A 83 -3.493 -1.643 2.130 1.00 0.00 C ATOM 1270 O ILE A 83 -2.320 -1.959 2.157 1.00 0.00 O ATOM 1271 CB ILE A 83 -3.907 0.846 2.055 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.230 1.606 2.151 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.631 0.516 0.578 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -4.971 3.034 2.636 1.00 0.00 C ATOM 0 H ILE A 83 -2.171 -0.742 3.978 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.997 -0.618 3.222 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.091 1.459 2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.721 1.626 1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.905 1.095 2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.590 1.439 0.000 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.679 -0.007 0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.429 -0.118 0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.916 3.573 2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.499 3.005 3.618 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.312 3.543 1.932 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.365 -2.329 1.441 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.886 -3.526 0.681 1.00 0.00 C ATOM 1288 C PHE A 84 -4.800 -3.897 -0.488 1.00 0.00 C ATOM 1289 O PHE A 84 -5.916 -3.416 -0.642 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.850 -4.665 1.696 1.00 0.00 C ATOM 1291 CG PHE A 84 -3.170 -5.879 1.079 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -1.846 -5.795 0.626 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -3.870 -7.089 0.941 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -1.239 -6.911 0.042 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -3.247 -8.204 0.358 1.00 0.00 C ATOM 1296 CZ PHE A 84 -1.933 -8.108 -0.093 1.00 0.00 C ATOM 0 H PHE A 84 -5.361 -2.123 1.370 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.913 -3.320 0.236 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.313 -4.351 2.591 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.863 -4.922 2.006 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.296 -4.871 0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.891 -7.162 1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.220 -6.842 -0.308 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.786 -9.135 0.259 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.454 -8.963 -0.547 1.00 0.00 H new ATOM 1306 N ALA A 85 -4.322 -4.772 -1.318 1.00 0.00 N ATOM 1307 CA ALA A 85 -5.133 -5.212 -2.469 1.00 0.00 C ATOM 1308 C ALA A 85 -4.777 -6.661 -2.823 1.00 0.00 C ATOM 1309 O ALA A 85 -3.669 -7.104 -2.597 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.760 -4.266 -3.609 1.00 0.00 C ATOM 0 H ALA A 85 -3.400 -5.202 -1.246 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.203 -5.183 -2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.325 -4.532 -4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.995 -3.241 -3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.693 -4.349 -3.817 1.00 0.00 H new ATOM 1316 N THR A 86 -5.695 -7.404 -3.379 1.00 0.00 N ATOM 1317 CA THR A 86 -5.377 -8.817 -3.740 1.00 0.00 C ATOM 1318 C THR A 86 -6.552 -9.461 -4.480 1.00 0.00 C ATOM 1319 O THR A 86 -7.585 -9.732 -3.904 1.00 0.00 O ATOM 1320 CB THR A 86 -5.101 -9.541 -2.411 1.00 0.00 C ATOM 1321 OG1 THR A 86 -5.308 -10.940 -2.568 1.00 0.00 O ATOM 1322 CG2 THR A 86 -6.033 -9.030 -1.317 1.00 0.00 C ATOM 0 H THR A 86 -6.643 -7.098 -3.598 1.00 0.00 H new ATOM 0 HA THR A 86 -4.517 -8.876 -4.408 1.00 0.00 H new ATOM 0 HB THR A 86 -4.067 -9.345 -2.127 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.996 -11.241 -1.939 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.822 -9.554 -0.385 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.876 -7.961 -1.175 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.068 -9.209 -1.608 1.00 0.00 H new ATOM 1330 N GLY A 87 -6.373 -9.722 -5.750 1.00 0.00 N ATOM 1331 CA GLY A 87 -7.439 -10.370 -6.574 1.00 0.00 C ATOM 1332 C GLY A 87 -8.846 -10.005 -6.080 1.00 0.00 C ATOM 1333 O GLY A 87 -9.461 -9.077 -6.562 1.00 0.00 O ATOM 0 H GLY A 87 -5.516 -9.509 -6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.329 -10.065 -7.615 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.313 -11.452 -6.544 1.00 0.00 H new ATOM 1337 N TYR A 88 -9.375 -10.753 -5.149 1.00 0.00 N ATOM 1338 CA TYR A 88 -10.758 -10.469 -4.658 1.00 0.00 C ATOM 1339 C TYR A 88 -10.872 -9.072 -4.032 1.00 0.00 C ATOM 1340 O TYR A 88 -11.935 -8.485 -4.023 1.00 0.00 O ATOM 1341 CB TYR A 88 -11.060 -11.546 -3.612 1.00 0.00 C ATOM 1342 CG TYR A 88 -9.868 -11.743 -2.704 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -9.617 -10.835 -1.668 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -9.021 -12.841 -2.893 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -8.517 -11.027 -0.823 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -7.921 -13.031 -2.050 1.00 0.00 C ATOM 1347 CZ TYR A 88 -7.670 -12.125 -1.014 1.00 0.00 C ATOM 1348 OH TYR A 88 -6.587 -12.315 -0.180 1.00 0.00 O ATOM 0 H TYR A 88 -8.912 -11.547 -4.707 1.00 0.00 H new ATOM 0 HA TYR A 88 -11.467 -10.487 -5.485 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -11.931 -11.257 -3.023 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -11.308 -12.485 -4.107 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.271 -9.988 -1.521 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -9.217 -13.542 -3.691 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.322 -10.328 -0.024 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -7.266 -13.877 -2.199 1.00 0.00 H new ATOM 0 HH TYR A 88 -6.104 -13.124 -0.450 1.00 0.00 H new ATOM 1358 N GLY A 89 -9.808 -8.528 -3.503 1.00 0.00 N ATOM 1359 CA GLY A 89 -9.916 -7.174 -2.885 1.00 0.00 C ATOM 1360 C GLY A 89 -9.921 -7.308 -1.360 1.00 0.00 C ATOM 1361 O GLY A 89 -10.903 -7.029 -0.704 1.00 0.00 O ATOM 0 H GLY A 89 -8.882 -8.955 -3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.081 -6.550 -3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.829 -6.681 -3.220 1.00 0.00 H new ATOM 1365 N SER A 90 -8.818 -7.731 -0.811 1.00 0.00 N ATOM 1366 CA SER A 90 -8.688 -7.904 0.673 1.00 0.00 C ATOM 1367 C SER A 90 -10.013 -8.331 1.318 1.00 0.00 C ATOM 1368 O SER A 90 -10.905 -7.531 1.518 1.00 0.00 O ATOM 1369 CB SER A 90 -8.253 -6.536 1.196 1.00 0.00 C ATOM 1370 OG SER A 90 -6.892 -6.603 1.601 1.00 0.00 O ATOM 0 H SER A 90 -7.978 -7.971 -1.337 1.00 0.00 H new ATOM 0 HA SER A 90 -7.973 -8.690 0.916 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.378 -5.780 0.421 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.881 -6.238 2.036 1.00 0.00 H new ATOM 0 HG SER A 90 -6.835 -7.009 2.491 1.00 0.00 H new ATOM 1376 N LYS A 91 -10.136 -9.587 1.663 1.00 0.00 N ATOM 1377 CA LYS A 91 -11.394 -10.070 2.309 1.00 0.00 C ATOM 1378 C LYS A 91 -11.918 -9.031 3.311 1.00 0.00 C ATOM 1379 O LYS A 91 -12.708 -8.174 2.969 1.00 0.00 O ATOM 1380 CB LYS A 91 -11.015 -11.377 3.022 1.00 0.00 C ATOM 1381 CG LYS A 91 -9.594 -11.284 3.596 1.00 0.00 C ATOM 1382 CD LYS A 91 -9.551 -11.961 4.968 1.00 0.00 C ATOM 1383 CE LYS A 91 -8.394 -11.387 5.789 1.00 0.00 C ATOM 1384 NZ LYS A 91 -9.001 -10.997 7.093 1.00 0.00 N ATOM 0 H LYS A 91 -9.419 -10.300 1.525 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.189 -10.229 1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.725 -11.580 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -11.077 -12.211 2.323 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.886 -11.763 2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.294 -10.240 3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.494 -11.804 5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.427 -13.037 4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.604 -12.125 5.927 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.945 -10.528 5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.303 -10.473 7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.831 -10.394 6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.293 -11.851 7.609 1.00 0.00 H new ATOM 1398 N GLY A 92 -11.485 -9.094 4.542 1.00 0.00 N ATOM 1399 CA GLY A 92 -11.962 -8.106 5.550 1.00 0.00 C ATOM 1400 C GLY A 92 -10.765 -7.579 6.344 1.00 0.00 C ATOM 1401 O GLY A 92 -10.831 -7.408 7.545 1.00 0.00 O ATOM 0 H GLY A 92 -10.823 -9.786 4.892 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.476 -7.282 5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -12.682 -8.573 6.222 1.00 0.00 H new ATOM 1405 N LEU A 93 -9.671 -7.324 5.682 1.00 0.00 N ATOM 1406 CA LEU A 93 -8.468 -6.812 6.396 1.00 0.00 C ATOM 1407 C LEU A 93 -8.881 -5.712 7.389 1.00 0.00 C ATOM 1408 O LEU A 93 -9.828 -4.989 7.164 1.00 0.00 O ATOM 1409 CB LEU A 93 -7.548 -6.293 5.270 1.00 0.00 C ATOM 1410 CG LEU A 93 -7.238 -4.801 5.433 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -5.981 -4.457 4.637 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -8.411 -3.979 4.902 1.00 0.00 C ATOM 0 H LEU A 93 -9.558 -7.448 4.676 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.957 -7.565 6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.617 -6.860 5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.024 -6.462 4.304 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.079 -4.574 6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.757 -3.396 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.143 -5.046 5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.145 -4.682 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.193 -2.917 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.566 -4.206 3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.312 -4.227 5.463 1.00 0.00 H new ATOM 1424 N ASP A 94 -8.177 -5.588 8.485 1.00 0.00 N ATOM 1425 CA ASP A 94 -8.533 -4.540 9.490 1.00 0.00 C ATOM 1426 C ASP A 94 -7.482 -3.423 9.478 1.00 0.00 C ATOM 1427 O ASP A 94 -6.341 -3.643 9.122 1.00 0.00 O ATOM 1428 CB ASP A 94 -8.550 -5.262 10.839 1.00 0.00 C ATOM 1429 CG ASP A 94 -7.139 -5.714 11.204 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -6.309 -4.857 11.457 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -6.915 -6.912 11.230 1.00 0.00 O ATOM 0 H ASP A 94 -7.372 -6.166 8.728 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.494 -4.072 9.278 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.940 -4.599 11.611 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.216 -6.123 10.792 1.00 0.00 H new ATOM 1436 N THR A 95 -7.851 -2.226 9.852 1.00 0.00 N ATOM 1437 CA THR A 95 -6.851 -1.113 9.842 1.00 0.00 C ATOM 1438 C THR A 95 -7.499 0.213 10.246 1.00 0.00 C ATOM 1439 O THR A 95 -8.699 0.386 10.157 1.00 0.00 O ATOM 1440 CB THR A 95 -6.349 -1.046 8.393 1.00 0.00 C ATOM 1441 OG1 THR A 95 -5.769 0.223 8.136 1.00 0.00 O ATOM 1442 CG2 THR A 95 -7.509 -1.276 7.424 1.00 0.00 C ATOM 0 H THR A 95 -8.789 -1.971 10.161 1.00 0.00 H new ATOM 0 HA THR A 95 -6.044 -1.289 10.553 1.00 0.00 H new ATOM 0 HB THR A 95 -5.598 -1.823 8.250 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.714 0.368 7.168 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.142 -1.226 6.399 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.946 -2.258 7.606 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.267 -0.508 7.575 1.00 0.00 H new ATOM 1450 N ARG A 96 -6.704 1.162 10.673 1.00 0.00 N ATOM 1451 CA ARG A 96 -7.264 2.488 11.062 1.00 0.00 C ATOM 1452 C ARG A 96 -7.977 3.105 9.862 1.00 0.00 C ATOM 1453 O ARG A 96 -8.716 4.062 9.985 1.00 0.00 O ATOM 1454 CB ARG A 96 -6.053 3.348 11.436 1.00 0.00 C ATOM 1455 CG ARG A 96 -5.497 2.910 12.793 1.00 0.00 C ATOM 1456 CD ARG A 96 -5.698 4.034 13.813 1.00 0.00 C ATOM 1457 NE ARG A 96 -5.205 5.266 13.134 1.00 0.00 N ATOM 1458 CZ ARG A 96 -3.933 5.562 13.154 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -3.359 5.903 14.276 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -3.236 5.516 12.052 1.00 0.00 N ATOM 0 H ARG A 96 -5.692 1.074 10.768 1.00 0.00 H new ATOM 0 HA ARG A 96 -7.978 2.410 11.882 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.282 3.256 10.671 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.341 4.399 11.474 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.001 2.004 13.130 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.437 2.670 12.704 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.747 4.130 14.092 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.141 3.839 14.730 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.863 5.879 12.653 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.904 5.938 15.138 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.366 6.134 14.291 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.685 5.249 11.176 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.243 5.747 12.067 1.00 0.00 H new ATOM 1474 N TYR A 97 -7.742 2.568 8.697 1.00 0.00 N ATOM 1475 CA TYR A 97 -8.380 3.122 7.476 1.00 0.00 C ATOM 1476 C TYR A 97 -9.866 2.750 7.423 1.00 0.00 C ATOM 1477 O TYR A 97 -10.650 3.438 6.799 1.00 0.00 O ATOM 1478 CB TYR A 97 -7.589 2.491 6.331 1.00 0.00 C ATOM 1479 CG TYR A 97 -6.273 3.218 6.193 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -5.261 3.022 7.142 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -6.067 4.096 5.123 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -4.043 3.702 7.019 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -4.850 4.777 5.001 1.00 0.00 C ATOM 1484 CZ TYR A 97 -3.838 4.581 5.948 1.00 0.00 C ATOM 1485 OH TYR A 97 -2.640 5.254 5.826 1.00 0.00 O ATOM 0 H TYR A 97 -7.132 1.766 8.540 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.357 4.211 7.435 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.417 1.433 6.529 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.155 2.554 5.401 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -5.420 2.346 7.969 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.847 4.248 4.391 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -3.262 3.549 7.749 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.692 5.455 4.175 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.899 4.613 5.866 1.00 0.00 H new ATOM 1495 N SER A 98 -10.247 1.669 8.075 1.00 0.00 N ATOM 1496 CA SER A 98 -11.679 1.210 8.103 1.00 0.00 C ATOM 1497 C SER A 98 -11.959 0.236 6.958 1.00 0.00 C ATOM 1498 O SER A 98 -13.096 0.011 6.594 1.00 0.00 O ATOM 1499 CB SER A 98 -12.562 2.457 7.979 1.00 0.00 C ATOM 1500 OG SER A 98 -11.974 3.524 8.711 1.00 0.00 O ATOM 0 H SER A 98 -9.608 1.073 8.601 1.00 0.00 H new ATOM 0 HA SER A 98 -11.891 0.682 9.033 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.671 2.737 6.931 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.562 2.248 8.359 1.00 0.00 H new ATOM 0 HG SER A 98 -11.595 4.178 8.088 1.00 0.00 H new ATOM 1506 N ASN A 99 -10.941 -0.366 6.400 1.00 0.00 N ATOM 1507 CA ASN A 99 -11.183 -1.344 5.300 1.00 0.00 C ATOM 1508 C ASN A 99 -11.991 -0.683 4.196 1.00 0.00 C ATOM 1509 O ASN A 99 -13.180 -0.469 4.325 1.00 0.00 O ATOM 1510 CB ASN A 99 -11.980 -2.445 5.985 1.00 0.00 C ATOM 1511 CG ASN A 99 -11.235 -2.867 7.247 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -11.799 -3.486 8.127 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -9.976 -2.550 7.370 1.00 0.00 N ATOM 0 H ASN A 99 -9.964 -0.225 6.655 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.273 -1.718 4.831 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.979 -2.089 6.236 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.103 -3.296 5.315 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.461 -2.822 8.207 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -9.506 -2.030 6.629 1.00 0.00 H new ATOM 1520 N ILE A 100 -11.361 -0.326 3.116 1.00 0.00 N ATOM 1521 CA ILE A 100 -12.119 0.356 2.041 1.00 0.00 C ATOM 1522 C ILE A 100 -11.394 0.288 0.676 1.00 0.00 C ATOM 1523 O ILE A 100 -11.934 -0.260 -0.263 1.00 0.00 O ATOM 1524 CB ILE A 100 -12.325 1.829 2.496 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -11.907 2.103 3.969 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -13.825 2.138 2.407 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -10.393 1.932 4.227 1.00 0.00 C ATOM 0 H ILE A 100 -10.369 -0.475 2.934 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.076 -0.144 1.888 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.700 2.446 1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -12.200 3.118 4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.457 1.428 4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.004 3.167 2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -14.163 2.008 1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -14.376 1.459 3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -10.177 2.139 5.275 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -10.097 0.910 3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.836 2.626 3.598 1.00 0.00 H new ATOM 1539 N PRO A 101 -10.216 0.860 0.586 1.00 0.00 N ATOM 1540 CA PRO A 101 -9.473 0.867 -0.700 1.00 0.00 C ATOM 1541 C PRO A 101 -8.892 -0.505 -1.024 1.00 0.00 C ATOM 1542 O PRO A 101 -7.752 -0.617 -1.431 1.00 0.00 O ATOM 1543 CB PRO A 101 -8.345 1.855 -0.457 1.00 0.00 C ATOM 1544 CG PRO A 101 -8.147 1.863 1.015 1.00 0.00 C ATOM 1545 CD PRO A 101 -9.470 1.538 1.639 1.00 0.00 C ATOM 0 HA PRO A 101 -10.117 1.129 -1.540 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.436 1.550 -0.975 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.604 2.848 -0.825 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.394 1.131 1.306 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.792 2.837 1.351 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.349 0.899 2.514 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.984 2.440 1.971 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.649 -1.549 -0.872 1.00 0.00 N ATOM 1554 CA LEU A 102 -9.095 -2.879 -1.204 1.00 0.00 C ATOM 1555 C LEU A 102 -9.285 -3.132 -2.691 1.00 0.00 C ATOM 1556 O LEU A 102 -10.378 -3.033 -3.211 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.882 -3.891 -0.359 1.00 0.00 C ATOM 1558 CG LEU A 102 -9.589 -3.693 1.136 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -8.123 -3.302 1.345 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -10.495 -2.592 1.692 1.00 0.00 C ATOM 0 H LEU A 102 -10.613 -1.539 -0.537 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.029 -2.957 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.950 -3.775 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.616 -4.905 -0.656 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.782 -4.629 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.931 -3.165 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.477 -4.091 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.916 -2.372 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.287 -2.451 2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.305 -1.661 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.538 -2.879 1.561 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.230 -3.429 -3.395 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.399 -3.647 -4.865 1.00 0.00 C ATOM 1574 C LEU A 103 -7.313 -4.562 -5.445 1.00 0.00 C ATOM 1575 O LEU A 103 -6.737 -5.382 -4.760 1.00 0.00 O ATOM 1576 CB LEU A 103 -8.308 -2.243 -5.471 1.00 0.00 C ATOM 1577 CG LEU A 103 -6.977 -1.598 -5.082 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -5.970 -1.782 -6.217 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -7.192 -0.105 -4.832 1.00 0.00 C ATOM 0 H LEU A 103 -7.282 -3.529 -3.033 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.342 -4.146 -5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.392 -2.299 -6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.137 -1.630 -5.118 1.00 0.00 H new ATOM 0 HG LEU A 103 -6.595 -2.070 -4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.021 -1.322 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.818 -2.846 -6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.351 -1.309 -7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.245 0.358 -4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.573 0.365 -5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.912 0.029 -4.024 1.00 0.00 H new ATOM 1591 N THR A 104 -7.054 -4.427 -6.720 1.00 0.00 N ATOM 1592 CA THR A 104 -6.028 -5.270 -7.394 1.00 0.00 C ATOM 1593 C THR A 104 -5.970 -4.892 -8.878 1.00 0.00 C ATOM 1594 O THR A 104 -5.926 -5.740 -9.746 1.00 0.00 O ATOM 1595 CB THR A 104 -6.512 -6.712 -7.223 1.00 0.00 C ATOM 1596 OG1 THR A 104 -5.749 -7.568 -8.062 1.00 0.00 O ATOM 1597 CG2 THR A 104 -7.989 -6.805 -7.605 1.00 0.00 C ATOM 0 H THR A 104 -7.520 -3.756 -7.331 1.00 0.00 H new ATOM 0 HA THR A 104 -5.030 -5.137 -6.977 1.00 0.00 H new ATOM 0 HB THR A 104 -6.388 -7.016 -6.184 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.826 -7.268 -8.992 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.332 -7.832 -7.483 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.573 -6.148 -6.961 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.116 -6.501 -8.644 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.976 -3.617 -9.169 1.00 0.00 N ATOM 1606 CA LYS A 105 -5.929 -3.166 -10.596 1.00 0.00 C ATOM 1607 C LYS A 105 -4.841 -2.094 -10.769 1.00 0.00 C ATOM 1608 O LYS A 105 -4.157 -1.755 -9.825 1.00 0.00 O ATOM 1609 CB LYS A 105 -7.323 -2.579 -10.936 1.00 0.00 C ATOM 1610 CG LYS A 105 -8.276 -2.587 -9.728 1.00 0.00 C ATOM 1611 CD LYS A 105 -9.000 -3.932 -9.650 1.00 0.00 C ATOM 1612 CE LYS A 105 -10.453 -3.760 -10.107 1.00 0.00 C ATOM 1613 NZ LYS A 105 -10.360 -3.158 -11.466 1.00 0.00 N ATOM 0 H LYS A 105 -6.011 -2.866 -8.480 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.690 -3.996 -11.261 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.205 -1.557 -11.295 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.767 -3.153 -11.749 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.716 -2.411 -8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -9.001 -1.778 -9.819 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.495 -4.666 -10.278 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.972 -4.313 -8.629 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.974 -4.717 -10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -11.007 -3.114 -9.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.295 -3.181 -11.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.037 -2.172 -11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.683 -3.700 -12.040 1.00 0.00 H new ATOM 1627 N PRO A 106 -4.713 -1.596 -11.977 1.00 0.00 N ATOM 1628 CA PRO A 106 -3.688 -0.556 -12.269 1.00 0.00 C ATOM 1629 C PRO A 106 -4.074 0.782 -11.623 1.00 0.00 C ATOM 1630 O PRO A 106 -4.794 0.813 -10.651 1.00 0.00 O ATOM 1631 CB PRO A 106 -3.690 -0.469 -13.795 1.00 0.00 C ATOM 1632 CG PRO A 106 -5.039 -0.958 -14.214 1.00 0.00 C ATOM 1633 CD PRO A 106 -5.500 -1.944 -13.169 1.00 0.00 C ATOM 0 HA PRO A 106 -2.703 -0.797 -11.870 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -3.520 0.554 -14.131 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -2.898 -1.082 -14.225 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.741 -0.128 -14.296 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -4.989 -1.432 -15.195 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -6.570 -1.854 -12.981 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -5.316 -2.972 -13.482 1.00 0.00 H new ATOM 1641 N PHE A 107 -3.592 1.887 -12.137 1.00 0.00 N ATOM 1642 CA PHE A 107 -3.941 3.208 -11.516 1.00 0.00 C ATOM 1643 C PHE A 107 -5.191 3.789 -12.182 1.00 0.00 C ATOM 1644 O PHE A 107 -5.991 3.073 -12.750 1.00 0.00 O ATOM 1645 CB PHE A 107 -2.740 4.145 -11.749 1.00 0.00 C ATOM 1646 CG PHE A 107 -1.470 3.359 -11.994 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -1.153 2.263 -11.183 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -0.609 3.732 -13.034 1.00 0.00 C ATOM 1649 CE1 PHE A 107 0.023 1.540 -11.412 1.00 0.00 C ATOM 1650 CE2 PHE A 107 0.568 3.010 -13.262 1.00 0.00 C ATOM 1651 CZ PHE A 107 0.884 1.913 -12.451 1.00 0.00 C ATOM 0 H PHE A 107 -2.979 1.935 -12.951 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.149 3.094 -10.452 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.941 4.792 -12.603 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.608 4.793 -10.883 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -1.816 1.975 -10.381 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.854 4.577 -13.660 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.267 0.694 -10.787 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.232 3.299 -14.063 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.792 1.355 -12.627 1.00 0.00 H new ATOM 1661 N LEU A 108 -5.364 5.086 -12.121 1.00 0.00 N ATOM 1662 CA LEU A 108 -6.562 5.715 -12.754 1.00 0.00 C ATOM 1663 C LEU A 108 -7.830 5.329 -11.964 1.00 0.00 C ATOM 1664 O LEU A 108 -7.893 5.543 -10.770 1.00 0.00 O ATOM 1665 CB LEU A 108 -6.560 5.178 -14.196 1.00 0.00 C ATOM 1666 CG LEU A 108 -6.328 6.342 -15.151 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -7.356 7.437 -14.869 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -4.919 6.894 -14.929 1.00 0.00 C ATOM 0 H LEU A 108 -4.727 5.736 -11.660 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.542 6.805 -12.753 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.779 4.427 -14.319 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.509 4.690 -14.419 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.432 6.004 -16.182 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -7.194 8.272 -15.550 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.360 7.039 -15.015 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.248 7.781 -13.840 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.744 7.728 -15.609 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.821 7.238 -13.899 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.187 6.110 -15.121 1.00 0.00 H new ATOM 1680 N ASP A 109 -8.835 4.757 -12.590 1.00 0.00 N ATOM 1681 CA ASP A 109 -10.063 4.365 -11.830 1.00 0.00 C ATOM 1682 C ASP A 109 -9.681 3.711 -10.497 1.00 0.00 C ATOM 1683 O ASP A 109 -10.470 3.633 -9.580 1.00 0.00 O ATOM 1684 CB ASP A 109 -10.778 3.355 -12.727 1.00 0.00 C ATOM 1685 CG ASP A 109 -9.794 2.263 -13.152 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -9.064 1.786 -12.298 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -9.788 1.922 -14.323 1.00 0.00 O ATOM 0 H ASP A 109 -8.856 4.547 -13.588 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.690 5.225 -11.595 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.621 2.913 -12.195 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.183 3.856 -13.606 1.00 0.00 H new ATOM 1692 N SER A 110 -8.479 3.223 -10.390 1.00 0.00 N ATOM 1693 CA SER A 110 -8.044 2.567 -9.130 1.00 0.00 C ATOM 1694 C SER A 110 -7.518 3.596 -8.128 1.00 0.00 C ATOM 1695 O SER A 110 -7.968 3.663 -7.002 1.00 0.00 O ATOM 1696 CB SER A 110 -6.912 1.662 -9.567 1.00 0.00 C ATOM 1697 OG SER A 110 -7.100 0.366 -9.015 1.00 0.00 O ATOM 0 H SER A 110 -7.775 3.251 -11.127 1.00 0.00 H new ATOM 0 HA SER A 110 -8.861 2.039 -8.638 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.878 1.604 -10.655 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.957 2.073 -9.240 1.00 0.00 H new ATOM 0 HG SER A 110 -7.269 0.442 -8.053 1.00 0.00 H new ATOM 1703 N GLU A 111 -6.558 4.390 -8.533 1.00 0.00 N ATOM 1704 CA GLU A 111 -5.983 5.411 -7.610 1.00 0.00 C ATOM 1705 C GLU A 111 -7.099 6.032 -6.781 1.00 0.00 C ATOM 1706 O GLU A 111 -6.985 6.200 -5.580 1.00 0.00 O ATOM 1707 CB GLU A 111 -5.347 6.458 -8.525 1.00 0.00 C ATOM 1708 CG GLU A 111 -4.590 7.483 -7.679 1.00 0.00 C ATOM 1709 CD GLU A 111 -4.474 8.796 -8.454 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -4.161 8.741 -9.631 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -4.703 9.835 -7.856 1.00 0.00 O ATOM 0 H GLU A 111 -6.148 4.373 -9.467 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.257 4.989 -6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.667 5.977 -9.228 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -6.116 6.955 -9.116 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.112 7.649 -6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.598 7.105 -7.432 1.00 0.00 H new ATOM 1718 N LEU A 112 -8.186 6.357 -7.416 1.00 0.00 N ATOM 1719 CA LEU A 112 -9.323 6.955 -6.652 1.00 0.00 C ATOM 1720 C LEU A 112 -9.700 6.023 -5.511 1.00 0.00 C ATOM 1721 O LEU A 112 -9.619 6.376 -4.351 1.00 0.00 O ATOM 1722 CB LEU A 112 -10.534 7.107 -7.592 1.00 0.00 C ATOM 1723 CG LEU A 112 -10.406 6.280 -8.872 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -11.809 5.874 -9.334 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -9.742 7.131 -9.961 1.00 0.00 C ATOM 0 H LEU A 112 -8.341 6.239 -8.417 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.032 7.928 -6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.438 6.808 -7.062 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.652 8.158 -7.856 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.801 5.393 -8.685 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.735 5.283 -10.247 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.291 5.281 -8.556 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.401 6.768 -9.528 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.649 6.544 -10.875 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.352 8.013 -10.156 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.752 7.441 -9.627 1.00 0.00 H new ATOM 1737 N GLU A 113 -10.118 4.833 -5.839 1.00 0.00 N ATOM 1738 CA GLU A 113 -10.507 3.869 -4.780 1.00 0.00 C ATOM 1739 C GLU A 113 -9.511 3.930 -3.628 1.00 0.00 C ATOM 1740 O GLU A 113 -9.844 4.275 -2.512 1.00 0.00 O ATOM 1741 CB GLU A 113 -10.440 2.484 -5.431 1.00 0.00 C ATOM 1742 CG GLU A 113 -11.213 2.486 -6.753 1.00 0.00 C ATOM 1743 CD GLU A 113 -11.514 1.044 -7.167 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -11.553 0.193 -6.295 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -11.696 0.816 -8.352 1.00 0.00 O ATOM 0 H GLU A 113 -10.206 4.489 -6.795 1.00 0.00 H new ATOM 0 HA GLU A 113 -11.498 4.091 -4.385 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.401 2.207 -5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.858 1.736 -4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.142 3.046 -6.643 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.630 2.984 -7.527 1.00 0.00 H new ATOM 1752 N ALA A 114 -8.297 3.562 -3.897 1.00 0.00 N ATOM 1753 CA ALA A 114 -7.259 3.544 -2.836 1.00 0.00 C ATOM 1754 C ALA A 114 -7.418 4.694 -1.833 1.00 0.00 C ATOM 1755 O ALA A 114 -7.178 4.523 -0.654 1.00 0.00 O ATOM 1756 CB ALA A 114 -5.928 3.661 -3.579 1.00 0.00 C ATOM 0 H ALA A 114 -7.974 3.269 -4.819 1.00 0.00 H new ATOM 0 HA ALA A 114 -7.333 2.633 -2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.108 3.655 -2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.818 2.819 -4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.908 4.593 -4.144 1.00 0.00 H new ATOM 1762 N VAL A 115 -7.783 5.868 -2.270 1.00 0.00 N ATOM 1763 CA VAL A 115 -7.899 6.994 -1.291 1.00 0.00 C ATOM 1764 C VAL A 115 -9.348 7.478 -1.129 1.00 0.00 C ATOM 1765 O VAL A 115 -9.683 8.111 -0.148 1.00 0.00 O ATOM 1766 CB VAL A 115 -7.014 8.117 -1.849 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -6.507 8.980 -0.691 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -5.811 7.522 -2.591 1.00 0.00 C ATOM 0 H VAL A 115 -8.002 6.097 -3.239 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.584 6.674 -0.298 1.00 0.00 H new ATOM 0 HB VAL A 115 -7.600 8.722 -2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -5.878 9.780 -1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -7.356 9.412 -0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.926 8.363 -0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.190 8.328 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.224 6.913 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -6.163 6.901 -3.415 1.00 0.00 H new ATOM 1778 N LEU A 116 -10.210 7.205 -2.069 1.00 0.00 N ATOM 1779 CA LEU A 116 -11.622 7.680 -1.928 1.00 0.00 C ATOM 1780 C LEU A 116 -12.469 6.650 -1.179 1.00 0.00 C ATOM 1781 O LEU A 116 -13.307 7.002 -0.373 1.00 0.00 O ATOM 1782 CB LEU A 116 -12.126 7.865 -3.359 1.00 0.00 C ATOM 1783 CG LEU A 116 -13.315 8.828 -3.360 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -14.489 8.197 -2.607 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -12.909 10.132 -2.671 1.00 0.00 C ATOM 0 H LEU A 116 -10.005 6.681 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 116 -11.686 8.604 -1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.327 8.256 -3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.422 6.904 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 116 -13.615 9.034 -4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -15.335 8.885 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -14.777 7.266 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -14.193 7.990 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -13.754 10.821 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.610 9.923 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.074 10.582 -3.208 1.00 0.00 H new