USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 986 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 12 GLN : amide:sc= -3.04 K(o=-12,f=-23!) USER MOD Set 1.2: A 40 HIS : no HE2:sc= -9.2! C(o=-12!,f=-15!) USER MOD Single : A 11 GLN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : A 25 GLN : amide:sc= -2.51 X(o=-2.5,f=-2) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.0979 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.03) USER MOD Single : A 31 ASN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -102:sc= -0.651 (180deg=-3.93!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0181) USER MOD Single : A 38 TYR OH : rot 150:sc= -0.177 USER MOD Single : A 49 GLN : amide:sc= -5.11! C(o=-5.1!,f=-8.7!) USER MOD Single : A 50 MET CE :methyl -120:sc= -7.93! (180deg=-15.9!) USER MOD Single : A 53 HIS : no HD1:sc= -2.72 X(o=-2.7,f=-3!) USER MOD Single : A 56 LYS NZ :NH3+ 145:sc= -0.28 (180deg=-1.81!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -160:sc= -0.0417 (180deg=-0.394) USER MOD Single : A 70 MET CE :methyl -174:sc= -3.28! (180deg=-3.53) USER MOD Single : A 71 CYS SG : rot -165:sc= -4.38! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.409 K(o=0.41,f=-0.28) USER MOD Single : A 78 THR OG1 : rot -90:sc= -1.01 USER MOD Single : A 81 THR OG1 : rot -101:sc= 0.225 USER MOD Single : A 83 LYS NZ :NH3+ 149:sc=-0.000588 (180deg=-0.49) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 100 CYS SG : rot 142:sc= -2.59 USER MOD Single : A 104 GLN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : A 105 TYR OH : rot 113:sc= -1.71 USER MOD Single : A 107 GLN : amide:sc= -2.47 K(o=-2.5,f=-7.1!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot -26:sc= 0.196 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 130:sc= -2.12! USER MOD Single : A 123 MET CE :methyl 175:sc= -9.82! (180deg=-10.1!) USER MOD Single : A 125 GLN : amide:sc= -1.01 K(o=-1,f=-0.23) USER MOD Single : A 126 ASN : amide:sc= -4.83! C(o=-4.8!,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 156 N ARG A 10 7.747 16.456 4.335 1.00 0.00 N ATOM 157 CA ARG A 10 8.333 15.227 4.859 1.00 0.00 C ATOM 158 C ARG A 10 8.791 14.312 3.726 1.00 0.00 C ATOM 159 O ARG A 10 8.535 14.585 2.553 1.00 0.00 O ATOM 160 CB ARG A 10 7.323 14.495 5.748 1.00 0.00 C ATOM 161 CG ARG A 10 7.592 14.656 7.235 1.00 0.00 C ATOM 162 CD ARG A 10 6.844 13.614 8.052 1.00 0.00 C ATOM 163 NE ARG A 10 7.221 13.653 9.464 1.00 0.00 N ATOM 164 CZ ARG A 10 6.656 12.895 10.401 1.00 0.00 C ATOM 165 NH1 ARG A 10 5.691 12.040 10.083 1.00 0.00 N ATOM 166 NH2 ARG A 10 7.057 12.992 11.661 1.00 0.00 N ATOM 0 HA ARG A 10 9.205 15.496 5.456 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.322 14.865 5.526 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.334 13.434 5.498 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.662 14.569 7.424 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.292 15.654 7.554 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.771 13.781 7.958 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.048 12.622 7.649 1.00 0.00 H new ATOM 0 HE ARG A 10 7.959 14.298 9.747 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.378 11.961 9.115 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.263 11.462 10.806 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.798 13.647 11.911 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.625 12.412 12.380 1.00 0.00 H new ATOM 180 N GLN A 11 9.467 13.227 4.086 1.00 0.00 N ATOM 181 CA GLN A 11 9.960 12.272 3.102 1.00 0.00 C ATOM 182 C GLN A 11 8.819 11.429 2.541 1.00 0.00 C ATOM 183 O GLN A 11 7.978 10.930 3.288 1.00 0.00 O ATOM 184 CB GLN A 11 11.024 11.366 3.729 1.00 0.00 C ATOM 185 CG GLN A 11 12.445 11.731 3.332 1.00 0.00 C ATOM 186 CD GLN A 11 12.962 12.949 4.071 1.00 0.00 C ATOM 187 OE1 GLN A 11 13.833 12.845 4.935 1.00 0.00 O ATOM 188 NE2 GLN A 11 12.426 14.117 3.733 1.00 0.00 N ATOM 0 H GLN A 11 9.686 12.987 5.053 1.00 0.00 H new ATOM 0 HA GLN A 11 10.408 12.832 2.281 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.935 11.413 4.814 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.828 10.334 3.438 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.102 10.884 3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 11 12.482 11.919 2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.706 14.158 3.011 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.734 14.972 4.195 1.00 0.00 H new ATOM 197 N GLN A 12 8.797 11.274 1.221 1.00 0.00 N ATOM 198 CA GLN A 12 7.761 10.492 0.558 1.00 0.00 C ATOM 199 C GLN A 12 8.367 9.312 -0.196 1.00 0.00 C ATOM 200 O GLN A 12 8.923 9.476 -1.282 1.00 0.00 O ATOM 201 CB GLN A 12 6.968 11.374 -0.407 1.00 0.00 C ATOM 202 CG GLN A 12 6.439 12.650 0.225 1.00 0.00 C ATOM 203 CD GLN A 12 5.447 12.381 1.340 1.00 0.00 C ATOM 204 OE1 GLN A 12 4.494 11.619 1.170 1.00 0.00 O ATOM 205 NE2 GLN A 12 5.663 13.009 2.490 1.00 0.00 N ATOM 0 H GLN A 12 9.487 11.681 0.589 1.00 0.00 H new ATOM 0 HA GLN A 12 7.088 10.104 1.323 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.604 11.635 -1.253 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.130 10.801 -0.803 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.274 13.229 0.619 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.961 13.260 -0.542 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.465 13.632 2.588 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.027 12.869 3.275 1.00 0.00 H new ATOM 214 N ARG A 13 8.252 8.123 0.388 1.00 0.00 N ATOM 215 CA ARG A 13 8.786 6.915 -0.230 1.00 0.00 C ATOM 216 C ARG A 13 7.686 5.879 -0.432 1.00 0.00 C ATOM 217 O ARG A 13 6.783 5.746 0.393 1.00 0.00 O ATOM 218 CB ARG A 13 9.908 6.326 0.623 1.00 0.00 C ATOM 219 CG ARG A 13 10.934 7.354 1.078 1.00 0.00 C ATOM 220 CD ARG A 13 12.356 6.840 0.905 1.00 0.00 C ATOM 221 NE ARG A 13 13.116 6.905 2.151 1.00 0.00 N ATOM 222 CZ ARG A 13 13.753 7.995 2.578 1.00 0.00 C ATOM 223 NH1 ARG A 13 13.707 9.119 1.874 1.00 0.00 N ATOM 224 NH2 ARG A 13 14.432 7.960 3.717 1.00 0.00 N ATOM 0 H ARG A 13 7.795 7.971 1.287 1.00 0.00 H new ATOM 0 HA ARG A 13 9.191 7.187 -1.205 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.473 5.847 1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.415 5.547 0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.807 8.274 0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.761 7.603 2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.329 5.810 0.550 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.863 7.427 0.140 1.00 0.00 H new ATOM 0 HE ARG A 13 13.162 6.066 2.729 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.182 9.152 1.000 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.197 9.950 2.207 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.466 7.100 4.264 1.00 0.00 H new ATOM 0 HH22 ARG A 13 14.920 8.793 4.046 1.00 0.00 H new ATOM 238 N PHE A 14 7.763 5.152 -1.540 1.00 0.00 N ATOM 239 CA PHE A 14 6.771 4.133 -1.858 1.00 0.00 C ATOM 240 C PHE A 14 7.439 2.783 -2.084 1.00 0.00 C ATOM 241 O PHE A 14 8.457 2.695 -2.772 1.00 0.00 O ATOM 242 CB PHE A 14 5.980 4.548 -3.105 1.00 0.00 C ATOM 243 CG PHE A 14 5.623 6.009 -3.123 1.00 0.00 C ATOM 244 CD1 PHE A 14 6.609 6.976 -3.247 1.00 0.00 C ATOM 245 CD2 PHE A 14 4.304 6.416 -3.003 1.00 0.00 C ATOM 246 CE1 PHE A 14 6.288 8.319 -3.250 1.00 0.00 C ATOM 247 CE2 PHE A 14 3.977 7.759 -3.007 1.00 0.00 C ATOM 248 CZ PHE A 14 4.971 8.711 -3.129 1.00 0.00 C ATOM 0 H PHE A 14 8.504 5.250 -2.234 1.00 0.00 H new ATOM 0 HA PHE A 14 6.086 4.038 -1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.566 4.313 -3.994 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.066 3.957 -3.161 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.642 6.675 -3.343 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.523 5.676 -2.905 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.067 9.061 -3.347 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.945 8.064 -2.915 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.717 9.761 -3.130 1.00 0.00 H new ATOM 258 N PHE A 15 6.872 1.730 -1.499 1.00 0.00 N ATOM 259 CA PHE A 15 7.436 0.391 -1.646 1.00 0.00 C ATOM 260 C PHE A 15 6.351 -0.676 -1.733 1.00 0.00 C ATOM 261 O PHE A 15 5.239 -0.498 -1.235 1.00 0.00 O ATOM 262 CB PHE A 15 8.367 0.060 -0.476 1.00 0.00 C ATOM 263 CG PHE A 15 9.092 1.242 0.100 1.00 0.00 C ATOM 264 CD1 PHE A 15 8.424 2.166 0.888 1.00 0.00 C ATOM 265 CD2 PHE A 15 10.445 1.420 -0.133 1.00 0.00 C ATOM 266 CE1 PHE A 15 9.092 3.247 1.429 1.00 0.00 C ATOM 267 CE2 PHE A 15 11.119 2.500 0.404 1.00 0.00 C ATOM 268 CZ PHE A 15 10.443 3.414 1.186 1.00 0.00 C ATOM 0 H PHE A 15 6.031 1.777 -0.924 1.00 0.00 H new ATOM 0 HA PHE A 15 8.002 0.390 -2.578 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.782 -0.411 0.314 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.102 -0.673 -0.810 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.369 2.039 1.081 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.980 0.706 -0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.560 3.961 2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.174 2.629 0.212 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.968 4.258 1.608 1.00 0.00 H new ATOM 278 N ARG A 16 6.704 -1.797 -2.354 1.00 0.00 N ATOM 279 CA ARG A 16 5.795 -2.926 -2.499 1.00 0.00 C ATOM 280 C ARG A 16 6.587 -4.230 -2.528 1.00 0.00 C ATOM 281 O ARG A 16 7.756 -4.242 -2.913 1.00 0.00 O ATOM 282 CB ARG A 16 4.951 -2.790 -3.772 1.00 0.00 C ATOM 283 CG ARG A 16 4.202 -4.059 -4.152 1.00 0.00 C ATOM 284 CD ARG A 16 5.005 -4.912 -5.123 1.00 0.00 C ATOM 285 NE ARG A 16 4.211 -5.315 -6.283 1.00 0.00 N ATOM 286 CZ ARG A 16 4.254 -4.703 -7.468 1.00 0.00 C ATOM 287 NH1 ARG A 16 5.037 -3.648 -7.655 1.00 0.00 N ATOM 288 NH2 ARG A 16 3.503 -5.148 -8.466 1.00 0.00 N ATOM 0 H ARG A 16 7.624 -1.947 -2.769 1.00 0.00 H new ATOM 0 HA ARG A 16 5.119 -2.936 -1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.232 -1.982 -3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.601 -2.502 -4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.984 -4.636 -3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.245 -3.796 -4.603 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.879 -4.354 -5.458 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.371 -5.800 -4.608 1.00 0.00 H new ATOM 0 HE ARG A 16 3.585 -6.114 -6.180 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.613 -3.298 -6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.063 -3.187 -8.565 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.895 -5.955 -8.326 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.533 -4.683 -9.373 1.00 0.00 H new ATOM 302 N ILE A 17 5.954 -5.322 -2.116 1.00 0.00 N ATOM 303 CA ILE A 17 6.623 -6.617 -2.100 1.00 0.00 C ATOM 304 C ILE A 17 5.640 -7.759 -2.350 1.00 0.00 C ATOM 305 O ILE A 17 4.565 -7.810 -1.746 1.00 0.00 O ATOM 306 CB ILE A 17 7.362 -6.867 -0.762 1.00 0.00 C ATOM 307 CG1 ILE A 17 6.762 -6.010 0.362 1.00 0.00 C ATOM 308 CG2 ILE A 17 8.851 -6.581 -0.919 1.00 0.00 C ATOM 309 CD1 ILE A 17 7.572 -6.024 1.644 1.00 0.00 C ATOM 0 H ILE A 17 4.987 -5.337 -1.791 1.00 0.00 H new ATOM 0 HA ILE A 17 7.355 -6.593 -2.907 1.00 0.00 H new ATOM 0 HB ILE A 17 7.236 -7.915 -0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.671 -4.982 0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.754 -6.364 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.358 -6.761 0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.269 -7.236 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.993 -5.541 -1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.084 -5.396 2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.642 -7.045 2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.573 -5.641 1.446 1.00 0.00 H new ATOM 321 N PRO A 18 5.999 -8.698 -3.250 1.00 0.00 N ATOM 322 CA PRO A 18 5.163 -9.843 -3.584 1.00 0.00 C ATOM 323 C PRO A 18 5.489 -11.054 -2.716 1.00 0.00 C ATOM 324 O PRO A 18 6.620 -11.541 -2.721 1.00 0.00 O ATOM 325 CB PRO A 18 5.549 -10.109 -5.034 1.00 0.00 C ATOM 326 CG PRO A 18 6.997 -9.742 -5.110 1.00 0.00 C ATOM 327 CD PRO A 18 7.254 -8.717 -4.024 1.00 0.00 C ATOM 0 HA PRO A 18 4.100 -9.657 -3.428 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.390 -11.154 -5.302 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.951 -9.509 -5.720 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.625 -10.621 -4.967 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.240 -9.333 -6.091 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.103 -8.999 -3.401 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.479 -7.737 -4.445 1.00 0.00 H new ATOM 335 N PHE A 19 4.501 -11.537 -1.972 1.00 0.00 N ATOM 336 CA PHE A 19 4.706 -12.690 -1.105 1.00 0.00 C ATOM 337 C PHE A 19 3.460 -13.566 -1.051 1.00 0.00 C ATOM 338 O PHE A 19 2.347 -13.100 -1.292 1.00 0.00 O ATOM 339 CB PHE A 19 5.081 -12.232 0.306 1.00 0.00 C ATOM 340 CG PHE A 19 4.001 -11.439 0.987 1.00 0.00 C ATOM 341 CD1 PHE A 19 3.037 -12.074 1.752 1.00 0.00 C ATOM 342 CD2 PHE A 19 3.952 -10.061 0.860 1.00 0.00 C ATOM 343 CE1 PHE A 19 2.042 -11.349 2.378 1.00 0.00 C ATOM 344 CE2 PHE A 19 2.959 -9.330 1.484 1.00 0.00 C ATOM 345 CZ PHE A 19 2.004 -9.974 2.244 1.00 0.00 C ATOM 0 H PHE A 19 3.557 -11.151 -1.951 1.00 0.00 H new ATOM 0 HA PHE A 19 5.523 -13.281 -1.520 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.316 -13.107 0.913 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.987 -11.628 0.254 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.064 -13.148 1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.698 -9.552 0.267 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.295 -11.856 2.971 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.930 -8.256 1.377 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.228 -9.404 2.733 1.00 0.00 H new ATOM 355 N ILE A 20 3.659 -14.841 -0.728 1.00 0.00 N ATOM 356 CA ILE A 20 2.554 -15.786 -0.638 1.00 0.00 C ATOM 357 C ILE A 20 2.284 -16.166 0.811 1.00 0.00 C ATOM 358 O ILE A 20 3.193 -16.175 1.641 1.00 0.00 O ATOM 359 CB ILE A 20 2.830 -17.077 -1.439 1.00 0.00 C ATOM 360 CG1 ILE A 20 3.698 -16.781 -2.659 1.00 0.00 C ATOM 361 CG2 ILE A 20 1.521 -17.725 -1.863 1.00 0.00 C ATOM 362 CD1 ILE A 20 4.136 -18.026 -3.399 1.00 0.00 C ATOM 0 H ILE A 20 4.575 -15.242 -0.525 1.00 0.00 H new ATOM 0 HA ILE A 20 1.684 -15.286 -1.063 1.00 0.00 H new ATOM 0 HB ILE A 20 3.371 -17.771 -0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.145 -16.137 -3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.581 -16.226 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.731 -18.634 -2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.935 -17.974 -0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.958 -17.032 -2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.749 -17.744 -4.255 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.716 -18.661 -2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.258 -18.571 -3.746 1.00 0.00 H new ATOM 374 N ARG A 21 1.034 -16.487 1.108 1.00 0.00 N ATOM 375 CA ARG A 21 0.649 -16.878 2.456 1.00 0.00 C ATOM 376 C ARG A 21 1.248 -18.241 2.803 1.00 0.00 C ATOM 377 O ARG A 21 1.020 -19.221 2.095 1.00 0.00 O ATOM 378 CB ARG A 21 -0.875 -16.920 2.583 1.00 0.00 C ATOM 379 CG ARG A 21 -1.439 -15.825 3.474 1.00 0.00 C ATOM 380 CD ARG A 21 -2.912 -15.579 3.189 1.00 0.00 C ATOM 381 NE ARG A 21 -3.657 -15.249 4.402 1.00 0.00 N ATOM 382 CZ ARG A 21 -4.941 -14.894 4.410 1.00 0.00 C ATOM 383 NH1 ARG A 21 -5.624 -14.819 3.275 1.00 0.00 N ATOM 384 NH2 ARG A 21 -5.542 -14.612 5.558 1.00 0.00 N ATOM 0 H ARG A 21 0.269 -16.485 0.434 1.00 0.00 H new ATOM 0 HA ARG A 21 1.036 -16.138 3.157 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.317 -16.834 1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.172 -17.890 2.981 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.311 -16.104 4.520 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.878 -14.903 3.319 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.011 -14.766 2.470 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.345 -16.467 2.728 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.165 -15.293 5.295 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.166 -15.034 2.389 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.607 -14.547 3.288 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.021 -14.667 6.433 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.525 -14.340 5.566 1.00 0.00 H new ATOM 398 N PRO A 22 2.028 -18.322 3.898 1.00 0.00 N ATOM 399 CA PRO A 22 2.665 -19.569 4.333 1.00 0.00 C ATOM 400 C PRO A 22 1.759 -20.788 4.176 1.00 0.00 C ATOM 401 O PRO A 22 2.152 -21.810 3.596 1.00 0.00 O ATOM 402 CB PRO A 22 2.952 -19.298 5.806 1.00 0.00 C ATOM 403 CG PRO A 22 3.222 -17.833 5.865 1.00 0.00 C ATOM 404 CD PRO A 22 2.359 -17.200 4.803 1.00 0.00 C ATOM 0 HA PRO A 22 3.546 -19.810 3.739 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.104 -19.572 6.433 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.808 -19.875 6.157 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.982 -17.433 6.850 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.276 -17.624 5.684 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.461 -16.754 5.231 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.890 -16.406 4.278 1.00 0.00 H new ATOM 412 N ALA A 23 0.545 -20.670 4.698 1.00 0.00 N ATOM 413 CA ALA A 23 -0.430 -21.749 4.640 1.00 0.00 C ATOM 414 C ALA A 23 -0.536 -22.342 3.245 1.00 0.00 C ATOM 415 O ALA A 23 -0.318 -23.533 3.052 1.00 0.00 O ATOM 416 CB ALA A 23 -1.790 -21.247 5.103 1.00 0.00 C ATOM 0 H ALA A 23 0.211 -19.830 5.170 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.089 -22.541 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.513 -22.061 5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.715 -20.887 6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.117 -20.433 4.456 1.00 0.00 H new ATOM 422 N ASP A 24 -0.885 -21.493 2.289 1.00 0.00 N ATOM 423 CA ASP A 24 -1.056 -21.909 0.895 1.00 0.00 C ATOM 424 C ASP A 24 0.236 -22.439 0.271 1.00 0.00 C ATOM 425 O ASP A 24 0.202 -23.324 -0.585 1.00 0.00 O ATOM 426 CB ASP A 24 -1.574 -20.734 0.065 1.00 0.00 C ATOM 427 CG ASP A 24 -3.086 -20.621 0.104 1.00 0.00 C ATOM 428 OD1 ASP A 24 -3.653 -20.628 1.217 1.00 0.00 O ATOM 429 OD2 ASP A 24 -3.703 -20.528 -0.978 1.00 0.00 O ATOM 0 H ASP A 24 -1.058 -20.501 2.451 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.777 -22.726 0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.133 -19.809 0.436 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.248 -20.851 -0.968 1.00 0.00 H new ATOM 434 N GLN A 25 1.364 -21.877 0.681 1.00 0.00 N ATOM 435 CA GLN A 25 2.661 -22.270 0.134 1.00 0.00 C ATOM 436 C GLN A 25 2.929 -23.762 0.273 1.00 0.00 C ATOM 437 O GLN A 25 3.267 -24.432 -0.704 1.00 0.00 O ATOM 438 CB GLN A 25 3.791 -21.489 0.806 1.00 0.00 C ATOM 439 CG GLN A 25 3.435 -20.048 1.112 1.00 0.00 C ATOM 440 CD GLN A 25 4.603 -19.102 0.912 1.00 0.00 C ATOM 441 OE1 GLN A 25 4.941 -18.318 1.800 1.00 0.00 O ATOM 442 NE2 GLN A 25 5.227 -19.168 -0.258 1.00 0.00 N ATOM 0 H GLN A 25 1.410 -21.146 1.391 1.00 0.00 H new ATOM 0 HA GLN A 25 2.629 -22.034 -0.930 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.067 -21.991 1.733 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.669 -21.508 0.160 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.608 -19.739 0.472 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.086 -19.975 2.142 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.914 -19.832 -0.966 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.019 -18.554 -0.449 1.00 0.00 H new ATOM 451 N TYR A 26 2.819 -24.270 1.488 1.00 0.00 N ATOM 452 CA TYR A 26 3.098 -25.686 1.738 1.00 0.00 C ATOM 453 C TYR A 26 1.875 -26.578 1.563 1.00 0.00 C ATOM 454 O TYR A 26 1.979 -27.685 1.036 1.00 0.00 O ATOM 455 CB TYR A 26 3.672 -25.882 3.141 1.00 0.00 C ATOM 456 CG TYR A 26 3.107 -24.937 4.170 1.00 0.00 C ATOM 457 CD1 TYR A 26 1.828 -25.114 4.679 1.00 0.00 C ATOM 458 CD2 TYR A 26 3.858 -23.869 4.636 1.00 0.00 C ATOM 459 CE1 TYR A 26 1.315 -24.250 5.623 1.00 0.00 C ATOM 460 CE2 TYR A 26 3.355 -23.001 5.583 1.00 0.00 C ATOM 461 CZ TYR A 26 2.083 -23.194 6.075 1.00 0.00 C ATOM 462 OH TYR A 26 1.575 -22.334 7.020 1.00 0.00 O ATOM 0 H TYR A 26 2.542 -23.737 2.312 1.00 0.00 H new ATOM 0 HA TYR A 26 3.830 -25.986 0.988 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.482 -26.907 3.460 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.754 -25.755 3.101 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.226 -25.940 4.331 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.855 -23.714 4.251 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.317 -24.398 6.008 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.955 -22.175 5.936 1.00 0.00 H new ATOM 0 HH TYR A 26 2.242 -21.648 7.230 1.00 0.00 H new ATOM 472 N LYS A 27 0.726 -26.114 2.028 1.00 0.00 N ATOM 473 CA LYS A 27 -0.497 -26.904 1.936 1.00 0.00 C ATOM 474 C LYS A 27 -0.834 -27.268 0.492 1.00 0.00 C ATOM 475 O LYS A 27 -1.341 -28.357 0.226 1.00 0.00 O ATOM 476 CB LYS A 27 -1.667 -26.163 2.580 1.00 0.00 C ATOM 477 CG LYS A 27 -2.114 -24.946 1.799 1.00 0.00 C ATOM 478 CD LYS A 27 -3.013 -24.050 2.638 1.00 0.00 C ATOM 479 CE LYS A 27 -4.480 -24.251 2.293 1.00 0.00 C ATOM 480 NZ LYS A 27 -5.336 -23.172 2.857 1.00 0.00 N ATOM 0 H LYS A 27 0.612 -25.202 2.470 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.322 -27.833 2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.508 -26.848 2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.382 -25.855 3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.241 -24.382 1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.647 -25.262 0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.855 -24.262 3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.740 -23.007 2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.598 -24.279 1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.814 -25.216 2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.328 -23.346 2.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.244 -23.162 3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.035 -22.254 2.473 1.00 0.00 H new ATOM 494 N ASP A 28 -0.564 -26.357 -0.438 1.00 0.00 N ATOM 495 CA ASP A 28 -0.860 -26.615 -1.845 1.00 0.00 C ATOM 496 C ASP A 28 -0.003 -25.757 -2.774 1.00 0.00 C ATOM 497 O ASP A 28 -0.112 -24.531 -2.774 1.00 0.00 O ATOM 498 CB ASP A 28 -2.342 -26.353 -2.124 1.00 0.00 C ATOM 499 CG ASP A 28 -3.242 -27.407 -1.509 1.00 0.00 C ATOM 500 OD1 ASP A 28 -3.446 -28.460 -2.148 1.00 0.00 O ATOM 501 OD2 ASP A 28 -3.742 -27.180 -0.387 1.00 0.00 O ATOM 0 H ASP A 28 -0.147 -25.446 -0.248 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.625 -27.661 -2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.615 -25.373 -1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.506 -26.323 -3.201 1.00 0.00 H new ATOM 506 N PRO A 29 0.855 -26.393 -3.596 1.00 0.00 N ATOM 507 CA PRO A 29 1.715 -25.680 -4.546 1.00 0.00 C ATOM 508 C PRO A 29 0.934 -25.131 -5.738 1.00 0.00 C ATOM 509 O PRO A 29 1.474 -24.394 -6.564 1.00 0.00 O ATOM 510 CB PRO A 29 2.700 -26.752 -5.002 1.00 0.00 C ATOM 511 CG PRO A 29 1.944 -28.024 -4.873 1.00 0.00 C ATOM 512 CD PRO A 29 1.042 -27.854 -3.680 1.00 0.00 C ATOM 0 HA PRO A 29 2.190 -24.810 -4.093 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.023 -26.584 -6.029 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.597 -26.758 -4.382 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.365 -28.226 -5.774 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.621 -28.867 -4.733 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.093 -28.373 -3.817 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.496 -28.253 -2.773 1.00 0.00 H new ATOM 520 N GLN A 30 -0.345 -25.493 -5.818 1.00 0.00 N ATOM 521 CA GLN A 30 -1.214 -25.038 -6.896 1.00 0.00 C ATOM 522 C GLN A 30 -2.002 -23.818 -6.447 1.00 0.00 C ATOM 523 O GLN A 30 -2.237 -22.893 -7.223 1.00 0.00 O ATOM 524 CB GLN A 30 -2.168 -26.155 -7.323 1.00 0.00 C ATOM 525 CG GLN A 30 -1.597 -27.061 -8.400 1.00 0.00 C ATOM 526 CD GLN A 30 -1.872 -28.529 -8.136 1.00 0.00 C ATOM 527 OE1 GLN A 30 -2.432 -29.228 -8.980 1.00 0.00 O ATOM 528 NE2 GLN A 30 -1.479 -29.001 -6.959 1.00 0.00 N ATOM 0 H GLN A 30 -0.803 -26.105 -5.143 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.596 -24.766 -7.752 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.423 -26.757 -6.451 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.095 -25.711 -7.687 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.022 -26.784 -9.365 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.521 -26.904 -8.468 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.018 -28.384 -6.290 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.638 -29.981 -6.724 1.00 0.00 H new ATOM 537 N ASN A 31 -2.385 -23.815 -5.173 1.00 0.00 N ATOM 538 CA ASN A 31 -3.120 -22.701 -4.595 1.00 0.00 C ATOM 539 C ASN A 31 -2.137 -21.676 -4.045 1.00 0.00 C ATOM 540 O ASN A 31 -2.283 -21.185 -2.925 1.00 0.00 O ATOM 541 CB ASN A 31 -4.050 -23.194 -3.483 1.00 0.00 C ATOM 542 CG ASN A 31 -5.451 -23.480 -3.986 1.00 0.00 C ATOM 543 OD1 ASN A 31 -6.439 -23.074 -3.373 1.00 0.00 O ATOM 544 ND2 ASN A 31 -5.545 -24.183 -5.110 1.00 0.00 N ATOM 0 H ASN A 31 -2.196 -24.577 -4.521 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.730 -22.235 -5.369 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.634 -24.099 -3.040 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.096 -22.444 -2.693 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.462 -24.406 -5.497 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.700 -24.500 -5.586 1.00 0.00 H new ATOM 551 N LYS A 32 -1.124 -21.369 -4.848 1.00 0.00 N ATOM 552 CA LYS A 32 -0.089 -20.422 -4.472 1.00 0.00 C ATOM 553 C LYS A 32 -0.576 -18.988 -4.639 1.00 0.00 C ATOM 554 O LYS A 32 0.000 -18.205 -5.394 1.00 0.00 O ATOM 555 CB LYS A 32 1.161 -20.663 -5.323 1.00 0.00 C ATOM 556 CG LYS A 32 2.094 -21.721 -4.757 1.00 0.00 C ATOM 557 CD LYS A 32 2.447 -21.436 -3.307 1.00 0.00 C ATOM 558 CE LYS A 32 3.908 -21.742 -3.016 1.00 0.00 C ATOM 559 NZ LYS A 32 4.818 -21.120 -4.018 1.00 0.00 N ATOM 0 H LYS A 32 -1.000 -21.771 -5.777 1.00 0.00 H new ATOM 0 HA LYS A 32 0.157 -20.572 -3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.855 -20.961 -6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.708 -19.725 -5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.622 -22.701 -4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.006 -21.760 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.242 -20.390 -3.081 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.812 -22.034 -2.653 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.163 -21.380 -2.020 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.058 -22.822 -3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.134 -21.843 -4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.312 -20.366 -4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.644 -20.716 -3.533 1.00 0.00 H new ATOM 573 N LYS A 33 -1.643 -18.655 -3.924 1.00 0.00 N ATOM 574 CA LYS A 33 -2.222 -17.316 -3.982 1.00 0.00 C ATOM 575 C LYS A 33 -1.168 -16.251 -3.695 1.00 0.00 C ATOM 576 O LYS A 33 -0.819 -16.004 -2.541 1.00 0.00 O ATOM 577 CB LYS A 33 -3.374 -17.190 -2.984 1.00 0.00 C ATOM 578 CG LYS A 33 -4.409 -18.298 -3.101 1.00 0.00 C ATOM 579 CD LYS A 33 -4.908 -18.451 -4.530 1.00 0.00 C ATOM 580 CE LYS A 33 -6.423 -18.559 -4.584 1.00 0.00 C ATOM 581 NZ LYS A 33 -6.891 -19.950 -4.329 1.00 0.00 N ATOM 0 H LYS A 33 -2.127 -19.295 -3.295 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.605 -17.159 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.968 -17.190 -1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.866 -16.228 -3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.975 -19.239 -2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.250 -18.082 -2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.582 -17.597 -5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.463 -19.339 -4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.861 -17.888 -3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.776 -18.231 -5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.930 -19.981 -4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.494 -20.587 -5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.577 -20.254 -3.385 1.00 0.00 H new ATOM 595 N LYS A 34 -0.665 -15.625 -4.753 1.00 0.00 N ATOM 596 CA LYS A 34 0.350 -14.587 -4.618 1.00 0.00 C ATOM 597 C LYS A 34 -0.293 -13.215 -4.443 1.00 0.00 C ATOM 598 O LYS A 34 -1.057 -12.764 -5.295 1.00 0.00 O ATOM 599 CB LYS A 34 1.267 -14.583 -5.842 1.00 0.00 C ATOM 600 CG LYS A 34 2.208 -15.777 -5.898 1.00 0.00 C ATOM 601 CD LYS A 34 3.660 -15.349 -6.064 1.00 0.00 C ATOM 602 CE LYS A 34 4.079 -14.336 -5.010 1.00 0.00 C ATOM 603 NZ LYS A 34 5.471 -14.570 -4.537 1.00 0.00 N ATOM 0 H LYS A 34 -0.944 -15.819 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 34 0.942 -14.804 -3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.656 -14.569 -6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.856 -13.666 -5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.105 -16.364 -4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.923 -16.425 -6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.306 -16.225 -6.002 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.800 -14.919 -7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.000 -13.330 -5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.394 -14.389 -4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.700 -13.891 -3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.554 -15.538 -4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.133 -14.444 -5.329 1.00 0.00 H new ATOM 617 N GLY A 35 0.021 -12.558 -3.331 1.00 0.00 N ATOM 618 CA GLY A 35 -0.537 -11.246 -3.064 1.00 0.00 C ATOM 619 C GLY A 35 0.512 -10.150 -3.073 1.00 0.00 C ATOM 620 O GLY A 35 1.647 -10.363 -2.647 1.00 0.00 O ATOM 0 H GLY A 35 0.651 -12.911 -2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.298 -11.021 -3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.035 -11.258 -2.095 1.00 0.00 H new ATOM 624 N TRP A 36 0.129 -8.973 -3.559 1.00 0.00 N ATOM 625 CA TRP A 36 1.040 -7.836 -3.622 1.00 0.00 C ATOM 626 C TRP A 36 0.692 -6.806 -2.555 1.00 0.00 C ATOM 627 O TRP A 36 -0.472 -6.444 -2.383 1.00 0.00 O ATOM 628 CB TRP A 36 0.987 -7.195 -5.009 1.00 0.00 C ATOM 629 CG TRP A 36 1.501 -8.091 -6.092 1.00 0.00 C ATOM 630 CD1 TRP A 36 2.804 -8.412 -6.338 1.00 0.00 C ATOM 631 CD2 TRP A 36 0.723 -8.787 -7.071 1.00 0.00 C ATOM 632 NE1 TRP A 36 2.885 -9.264 -7.412 1.00 0.00 N ATOM 633 CE2 TRP A 36 1.621 -9.510 -7.881 1.00 0.00 C ATOM 634 CE3 TRP A 36 -0.645 -8.870 -7.343 1.00 0.00 C ATOM 635 CZ2 TRP A 36 1.194 -10.305 -8.940 1.00 0.00 C ATOM 636 CZ3 TRP A 36 -1.069 -9.659 -8.397 1.00 0.00 C ATOM 637 CH2 TRP A 36 -0.151 -10.367 -9.184 1.00 0.00 C ATOM 0 H TRP A 36 -0.807 -8.782 -3.915 1.00 0.00 H new ATOM 0 HA TRP A 36 2.052 -8.196 -3.436 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.042 -6.917 -5.235 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.571 -6.275 -5.000 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.648 -8.049 -5.771 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.746 -9.651 -7.798 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.359 -8.328 -6.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.899 -10.853 -9.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.124 -9.730 -8.617 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.513 -10.974 -10.000 1.00 0.00 H new ATOM 648 N TRP A 37 1.708 -6.342 -1.833 1.00 0.00 N ATOM 649 CA TRP A 37 1.503 -5.361 -0.772 1.00 0.00 C ATOM 650 C TRP A 37 2.185 -4.036 -1.105 1.00 0.00 C ATOM 651 O TRP A 37 3.405 -3.976 -1.225 1.00 0.00 O ATOM 652 CB TRP A 37 2.050 -5.912 0.547 1.00 0.00 C ATOM 653 CG TRP A 37 1.730 -5.066 1.739 1.00 0.00 C ATOM 654 CD1 TRP A 37 0.493 -4.790 2.242 1.00 0.00 C ATOM 655 CD2 TRP A 37 2.668 -4.389 2.584 1.00 0.00 C ATOM 656 NE1 TRP A 37 0.603 -3.984 3.350 1.00 0.00 N ATOM 657 CE2 TRP A 37 1.929 -3.723 3.579 1.00 0.00 C ATOM 658 CE3 TRP A 37 4.062 -4.284 2.596 1.00 0.00 C ATOM 659 CZ2 TRP A 37 2.537 -2.964 4.577 1.00 0.00 C ATOM 660 CZ3 TRP A 37 4.665 -3.530 3.584 1.00 0.00 C ATOM 661 CH2 TRP A 37 3.904 -2.878 4.563 1.00 0.00 C ATOM 0 H TRP A 37 2.678 -6.628 -1.963 1.00 0.00 H new ATOM 0 HA TRP A 37 0.433 -5.175 -0.678 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.648 -6.912 0.706 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.132 -6.013 0.466 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.437 -5.152 1.830 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.175 -3.637 3.910 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.657 -4.784 1.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.952 -2.462 5.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.741 -3.442 3.602 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.405 -2.296 5.322 1.00 0.00 H new ATOM 672 N TYR A 38 1.392 -2.972 -1.237 1.00 0.00 N ATOM 673 CA TYR A 38 1.934 -1.646 -1.537 1.00 0.00 C ATOM 674 C TYR A 38 1.635 -0.681 -0.395 1.00 0.00 C ATOM 675 O TYR A 38 0.647 -0.843 0.320 1.00 0.00 O ATOM 676 CB TYR A 38 1.347 -1.081 -2.838 1.00 0.00 C ATOM 677 CG TYR A 38 1.269 -2.063 -3.987 1.00 0.00 C ATOM 678 CD1 TYR A 38 0.504 -3.218 -3.897 1.00 0.00 C ATOM 679 CD2 TYR A 38 1.952 -1.821 -5.176 1.00 0.00 C ATOM 680 CE1 TYR A 38 0.421 -4.106 -4.952 1.00 0.00 C ATOM 681 CE2 TYR A 38 1.874 -2.705 -6.235 1.00 0.00 C ATOM 682 CZ TYR A 38 1.109 -3.846 -6.119 1.00 0.00 C ATOM 683 OH TYR A 38 1.027 -4.727 -7.172 1.00 0.00 O ATOM 0 H TYR A 38 0.377 -3.002 -1.141 1.00 0.00 H new ATOM 0 HA TYR A 38 3.012 -1.754 -1.658 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.345 -0.705 -2.633 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.950 -0.228 -3.150 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.036 -3.426 -2.985 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.552 -0.928 -5.272 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.180 -4.999 -4.864 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.410 -2.503 -7.150 1.00 0.00 H new ATOM 0 HH TYR A 38 1.129 -4.239 -8.016 1.00 0.00 H new ATOM 693 N ALA A 39 2.488 0.326 -0.229 1.00 0.00 N ATOM 694 CA ALA A 39 2.296 1.311 0.830 1.00 0.00 C ATOM 695 C ALA A 39 3.252 2.488 0.688 1.00 0.00 C ATOM 696 O ALA A 39 4.463 2.313 0.546 1.00 0.00 O ATOM 697 CB ALA A 39 2.466 0.661 2.194 1.00 0.00 C ATOM 0 H ALA A 39 3.312 0.481 -0.809 1.00 0.00 H new ATOM 0 HA ALA A 39 1.280 1.696 0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.320 1.408 2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.731 -0.135 2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.469 0.243 2.275 1.00 0.00 H new ATOM 703 N HIS A 40 2.692 3.690 0.752 1.00 0.00 N ATOM 704 CA HIS A 40 3.476 4.910 0.663 1.00 0.00 C ATOM 705 C HIS A 40 3.765 5.416 2.067 1.00 0.00 C ATOM 706 O HIS A 40 2.882 5.971 2.730 1.00 0.00 O ATOM 707 CB HIS A 40 2.721 5.973 -0.147 1.00 0.00 C ATOM 708 CG HIS A 40 3.323 7.345 -0.073 1.00 0.00 C ATOM 709 ND1 HIS A 40 2.699 8.466 -0.579 1.00 0.00 N ATOM 710 CD2 HIS A 40 4.492 7.779 0.459 1.00 0.00 C ATOM 711 CE1 HIS A 40 3.459 9.526 -0.364 1.00 0.00 C ATOM 712 NE2 HIS A 40 4.551 9.136 0.263 1.00 0.00 N ATOM 0 H HIS A 40 1.690 3.843 0.866 1.00 0.00 H new ATOM 0 HA HIS A 40 4.416 4.702 0.152 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.684 5.660 -1.191 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.691 6.021 0.208 1.00 0.00 H new ATOM 0 HD1 HIS A 40 1.792 8.476 -1.046 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.239 7.170 0.947 1.00 0.00 H new ATOM 0 HE1 HIS A 40 3.225 10.540 -0.653 1.00 0.00 H new ATOM 721 N PHE A 41 4.995 5.205 2.527 1.00 0.00 N ATOM 722 CA PHE A 41 5.378 5.627 3.863 1.00 0.00 C ATOM 723 C PHE A 41 5.941 7.045 3.864 1.00 0.00 C ATOM 724 O PHE A 41 6.873 7.356 3.123 1.00 0.00 O ATOM 725 CB PHE A 41 6.410 4.671 4.473 1.00 0.00 C ATOM 726 CG PHE A 41 5.909 3.274 4.696 1.00 0.00 C ATOM 727 CD1 PHE A 41 5.544 2.470 3.629 1.00 0.00 C ATOM 728 CD2 PHE A 41 5.815 2.760 5.981 1.00 0.00 C ATOM 729 CE1 PHE A 41 5.092 1.181 3.840 1.00 0.00 C ATOM 730 CE2 PHE A 41 5.361 1.473 6.197 1.00 0.00 C ATOM 731 CZ PHE A 41 4.999 0.683 5.125 1.00 0.00 C ATOM 0 H PHE A 41 5.736 4.747 1.996 1.00 0.00 H new ATOM 0 HA PHE A 41 4.472 5.609 4.469 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.281 4.631 3.819 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.746 5.079 5.426 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.613 2.854 2.622 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.100 3.373 6.823 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.811 0.563 3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.290 1.086 7.203 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.643 -0.323 5.291 1.00 0.00 H new ATOM 741 N ASP A 42 5.384 7.893 4.723 1.00 0.00 N ATOM 742 CA ASP A 42 5.842 9.269 4.849 1.00 0.00 C ATOM 743 C ASP A 42 6.871 9.358 5.968 1.00 0.00 C ATOM 744 O ASP A 42 6.549 9.129 7.137 1.00 0.00 O ATOM 745 CB ASP A 42 4.665 10.205 5.136 1.00 0.00 C ATOM 746 CG ASP A 42 3.979 10.677 3.870 1.00 0.00 C ATOM 747 OD1 ASP A 42 3.738 9.837 2.978 1.00 0.00 O ATOM 748 OD2 ASP A 42 3.681 11.885 3.771 1.00 0.00 O ATOM 0 H ASP A 42 4.612 7.649 5.343 1.00 0.00 H new ATOM 0 HA ASP A 42 6.300 9.579 3.910 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.941 9.690 5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.020 11.069 5.697 1.00 0.00 H new ATOM 753 N GLY A 43 8.114 9.655 5.610 1.00 0.00 N ATOM 754 CA GLY A 43 9.160 9.728 6.612 1.00 0.00 C ATOM 755 C GLY A 43 9.277 8.419 7.371 1.00 0.00 C ATOM 756 O GLY A 43 9.224 7.348 6.766 1.00 0.00 O ATOM 0 H GLY A 43 8.415 9.845 4.654 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.111 9.962 6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.946 10.539 7.308 1.00 0.00 H new ATOM 760 N PRO A 44 9.422 8.462 8.703 1.00 0.00 N ATOM 761 CA PRO A 44 9.529 7.251 9.520 1.00 0.00 C ATOM 762 C PRO A 44 8.202 6.500 9.610 1.00 0.00 C ATOM 763 O PRO A 44 8.168 5.321 9.959 1.00 0.00 O ATOM 764 CB PRO A 44 9.940 7.776 10.907 1.00 0.00 C ATOM 765 CG PRO A 44 10.280 9.219 10.713 1.00 0.00 C ATOM 766 CD PRO A 44 9.491 9.676 9.522 1.00 0.00 C ATOM 0 HA PRO A 44 10.239 6.540 9.097 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.129 7.659 11.625 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.794 7.222 11.297 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.023 9.802 11.597 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.349 9.348 10.545 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.500 10.032 9.804 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.986 10.493 8.996 1.00 0.00 H new ATOM 774 N TRP A 45 7.109 7.197 9.313 1.00 0.00 N ATOM 775 CA TRP A 45 5.774 6.612 9.381 1.00 0.00 C ATOM 776 C TRP A 45 5.159 6.460 7.994 1.00 0.00 C ATOM 777 O TRP A 45 5.821 6.696 6.982 1.00 0.00 O ATOM 778 CB TRP A 45 4.892 7.489 10.264 1.00 0.00 C ATOM 779 CG TRP A 45 5.685 8.204 11.313 1.00 0.00 C ATOM 780 CD1 TRP A 45 6.464 9.309 11.142 1.00 0.00 C ATOM 781 CD2 TRP A 45 5.804 7.837 12.685 1.00 0.00 C ATOM 782 NE1 TRP A 45 7.055 9.657 12.331 1.00 0.00 N ATOM 783 CE2 TRP A 45 6.658 8.769 13.298 1.00 0.00 C ATOM 784 CE3 TRP A 45 5.260 6.814 13.454 1.00 0.00 C ATOM 785 CZ2 TRP A 45 6.984 8.705 14.651 1.00 0.00 C ATOM 786 CZ3 TRP A 45 5.581 6.745 14.797 1.00 0.00 C ATOM 787 CH2 TRP A 45 6.437 7.688 15.384 1.00 0.00 C ATOM 0 H TRP A 45 7.123 8.174 9.021 1.00 0.00 H new ATOM 0 HA TRP A 45 5.850 5.613 9.811 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.369 8.218 9.645 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.131 6.873 10.742 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.597 9.834 10.208 1.00 0.00 H new ATOM 0 HE1 TRP A 45 7.686 10.446 12.472 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.598 6.086 13.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.643 9.431 15.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.166 5.953 15.403 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.669 7.610 16.436 1.00 0.00 H new ATOM 798 N ILE A 46 3.894 6.051 7.948 1.00 0.00 N ATOM 799 CA ILE A 46 3.210 5.859 6.674 1.00 0.00 C ATOM 800 C ILE A 46 1.960 6.722 6.556 1.00 0.00 C ATOM 801 O ILE A 46 1.306 7.036 7.551 1.00 0.00 O ATOM 802 CB ILE A 46 2.858 4.367 6.444 1.00 0.00 C ATOM 803 CG1 ILE A 46 1.770 4.198 5.377 1.00 0.00 C ATOM 804 CG2 ILE A 46 2.428 3.718 7.743 1.00 0.00 C ATOM 805 CD1 ILE A 46 1.759 2.823 4.745 1.00 0.00 C ATOM 0 H ILE A 46 3.326 5.848 8.771 1.00 0.00 H new ATOM 0 HA ILE A 46 3.905 6.177 5.896 1.00 0.00 H new ATOM 0 HB ILE A 46 3.757 3.870 6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.796 4.391 5.827 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.915 4.947 4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.185 2.671 7.563 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.239 3.783 8.468 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.550 4.233 8.134 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.966 2.772 3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.720 2.635 4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.584 2.071 5.514 1.00 0.00 H new ATOM 817 N ALA A 47 1.647 7.111 5.321 1.00 0.00 N ATOM 818 CA ALA A 47 0.490 7.948 5.049 1.00 0.00 C ATOM 819 C ALA A 47 -0.650 7.153 4.419 1.00 0.00 C ATOM 820 O ALA A 47 -1.815 7.367 4.755 1.00 0.00 O ATOM 821 CB ALA A 47 0.883 9.108 4.147 1.00 0.00 C ATOM 0 H ALA A 47 2.184 6.856 4.492 1.00 0.00 H new ATOM 0 HA ALA A 47 0.132 8.337 6.002 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.009 9.728 3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.650 9.707 4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.273 8.721 3.206 1.00 0.00 H new ATOM 827 N ARG A 48 -0.328 6.240 3.500 1.00 0.00 N ATOM 828 CA ARG A 48 -1.365 5.446 2.848 1.00 0.00 C ATOM 829 C ARG A 48 -0.850 4.067 2.458 1.00 0.00 C ATOM 830 O ARG A 48 0.344 3.877 2.232 1.00 0.00 O ATOM 831 CB ARG A 48 -1.900 6.175 1.613 1.00 0.00 C ATOM 832 CG ARG A 48 -0.814 6.581 0.633 1.00 0.00 C ATOM 833 CD ARG A 48 -1.336 6.628 -0.794 1.00 0.00 C ATOM 834 NE ARG A 48 -2.412 7.602 -0.954 1.00 0.00 N ATOM 835 CZ ARG A 48 -2.753 8.148 -2.120 1.00 0.00 C ATOM 836 NH1 ARG A 48 -2.103 7.823 -3.230 1.00 0.00 N ATOM 837 NH2 ARG A 48 -3.746 9.025 -2.175 1.00 0.00 N ATOM 0 H ARG A 48 0.624 6.036 3.196 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.177 5.313 3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.617 5.532 1.103 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.442 7.065 1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.421 7.559 0.910 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.015 5.876 0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.518 6.877 -1.470 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.697 5.640 -1.080 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.934 7.881 -0.123 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.337 7.151 -3.194 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.370 8.245 -4.119 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.248 9.281 -1.325 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.008 9.444 -3.068 1.00 0.00 H new ATOM 851 N GLN A 49 -1.765 3.104 2.383 1.00 0.00 N ATOM 852 CA GLN A 49 -1.413 1.737 2.025 1.00 0.00 C ATOM 853 C GLN A 49 -2.554 1.061 1.271 1.00 0.00 C ATOM 854 O GLN A 49 -3.715 1.442 1.406 1.00 0.00 O ATOM 855 CB GLN A 49 -1.067 0.940 3.289 1.00 0.00 C ATOM 856 CG GLN A 49 -0.972 -0.564 3.072 1.00 0.00 C ATOM 857 CD GLN A 49 -0.819 -1.332 4.370 1.00 0.00 C ATOM 858 OE1 GLN A 49 -1.448 -2.372 4.569 1.00 0.00 O ATOM 859 NE2 GLN A 49 0.020 -0.824 5.265 1.00 0.00 N ATOM 0 H GLN A 49 -2.758 3.248 2.566 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.543 1.764 1.369 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.116 1.300 3.683 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.823 1.139 4.049 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.866 -0.910 2.553 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.123 -0.781 2.424 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.522 0.040 5.061 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.163 -1.298 6.157 1.00 0.00 H new ATOM 868 N MET A 50 -2.209 0.047 0.483 1.00 0.00 N ATOM 869 CA MET A 50 -3.195 -0.699 -0.290 1.00 0.00 C ATOM 870 C MET A 50 -2.830 -2.179 -0.325 1.00 0.00 C ATOM 871 O MET A 50 -1.734 -2.551 -0.749 1.00 0.00 O ATOM 872 CB MET A 50 -3.299 -0.144 -1.711 1.00 0.00 C ATOM 873 CG MET A 50 -1.982 -0.140 -2.465 1.00 0.00 C ATOM 874 SD MET A 50 -2.163 0.398 -4.175 1.00 0.00 S ATOM 875 CE MET A 50 -3.273 -0.858 -4.804 1.00 0.00 C ATOM 0 H MET A 50 -1.249 -0.278 0.363 1.00 0.00 H new ATOM 0 HA MET A 50 -4.166 -0.589 0.193 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.025 -0.735 -2.270 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.684 0.875 -1.666 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.277 0.516 -1.954 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.554 -1.142 -2.447 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.793 -1.390 -5.625 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.514 -1.562 -4.008 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.189 -0.388 -5.162 1.00 0.00 H new ATOM 885 N GLU A 51 -3.751 -3.016 0.138 1.00 0.00 N ATOM 886 CA GLU A 51 -3.526 -4.459 0.174 1.00 0.00 C ATOM 887 C GLU A 51 -4.181 -5.153 -1.018 1.00 0.00 C ATOM 888 O GLU A 51 -5.374 -4.991 -1.262 1.00 0.00 O ATOM 889 CB GLU A 51 -4.065 -5.044 1.481 1.00 0.00 C ATOM 890 CG GLU A 51 -2.982 -5.582 2.400 1.00 0.00 C ATOM 891 CD GLU A 51 -2.293 -6.809 1.834 1.00 0.00 C ATOM 892 OE1 GLU A 51 -1.695 -6.702 0.744 1.00 0.00 O ATOM 893 OE2 GLU A 51 -2.353 -7.874 2.482 1.00 0.00 O ATOM 0 H GLU A 51 -4.661 -2.722 0.494 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.451 -4.632 0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.628 -4.274 2.009 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.764 -5.847 1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.241 -4.803 2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.421 -5.830 3.367 1.00 0.00 H new ATOM 900 N LEU A 52 -3.389 -5.934 -1.749 1.00 0.00 N ATOM 901 CA LEU A 52 -3.890 -6.662 -2.912 1.00 0.00 C ATOM 902 C LEU A 52 -3.526 -8.141 -2.822 1.00 0.00 C ATOM 903 O LEU A 52 -2.354 -8.505 -2.909 1.00 0.00 O ATOM 904 CB LEU A 52 -3.320 -6.069 -4.202 1.00 0.00 C ATOM 905 CG LEU A 52 -3.655 -4.597 -4.445 1.00 0.00 C ATOM 906 CD1 LEU A 52 -2.671 -3.975 -5.427 1.00 0.00 C ATOM 907 CD2 LEU A 52 -5.082 -4.454 -4.952 1.00 0.00 C ATOM 0 H LEU A 52 -2.398 -6.079 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.976 -6.567 -2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.236 -6.181 -4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.688 -6.653 -5.045 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.571 -4.065 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.928 -2.928 -5.585 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.661 -4.044 -5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.719 -4.508 -6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.305 -3.400 -5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.192 -5.002 -5.888 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.773 -4.857 -4.212 1.00 0.00 H new ATOM 919 N HIS A 53 -4.534 -8.989 -2.645 1.00 0.00 N ATOM 920 CA HIS A 53 -4.308 -10.427 -2.542 1.00 0.00 C ATOM 921 C HIS A 53 -5.388 -11.211 -3.287 1.00 0.00 C ATOM 922 O HIS A 53 -6.577 -10.919 -3.159 1.00 0.00 O ATOM 923 CB HIS A 53 -4.275 -10.854 -1.073 1.00 0.00 C ATOM 924 CG HIS A 53 -2.907 -10.804 -0.468 1.00 0.00 C ATOM 925 ND1 HIS A 53 -2.201 -11.933 -0.107 1.00 0.00 N ATOM 926 CD2 HIS A 53 -2.112 -9.752 -0.159 1.00 0.00 C ATOM 927 CE1 HIS A 53 -1.033 -11.577 0.398 1.00 0.00 C ATOM 928 NE2 HIS A 53 -0.954 -10.259 0.376 1.00 0.00 N ATOM 0 H HIS A 53 -5.511 -8.707 -2.570 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.345 -10.649 -3.003 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -4.941 -10.209 -0.500 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.664 -11.869 -0.989 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.346 -8.708 -0.306 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.272 -12.250 0.766 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.161 -9.707 0.703 1.00 0.00 H new ATOM 937 N PRO A 54 -4.991 -12.227 -4.076 1.00 0.00 N ATOM 938 CA PRO A 54 -5.940 -13.050 -4.836 1.00 0.00 C ATOM 939 C PRO A 54 -7.069 -13.586 -3.961 1.00 0.00 C ATOM 940 O PRO A 54 -8.164 -13.865 -4.448 1.00 0.00 O ATOM 941 CB PRO A 54 -5.074 -14.200 -5.357 1.00 0.00 C ATOM 942 CG PRO A 54 -3.698 -13.635 -5.424 1.00 0.00 C ATOM 943 CD PRO A 54 -3.595 -12.655 -4.288 1.00 0.00 C ATOM 0 HA PRO A 54 -6.435 -12.482 -5.623 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.117 -15.061 -4.691 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.412 -14.538 -6.337 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.949 -14.421 -5.330 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.525 -13.142 -6.381 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.177 -13.119 -3.394 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.951 -11.813 -4.541 1.00 0.00 H new ATOM 951 N ASP A 55 -6.792 -13.726 -2.668 1.00 0.00 N ATOM 952 CA ASP A 55 -7.784 -14.228 -1.725 1.00 0.00 C ATOM 953 C ASP A 55 -8.488 -13.079 -1.011 1.00 0.00 C ATOM 954 O ASP A 55 -9.644 -13.199 -0.607 1.00 0.00 O ATOM 955 CB ASP A 55 -7.123 -15.152 -0.701 1.00 0.00 C ATOM 956 CG ASP A 55 -5.897 -14.525 -0.066 1.00 0.00 C ATOM 957 OD1 ASP A 55 -6.060 -13.746 0.896 1.00 0.00 O ATOM 958 OD2 ASP A 55 -4.774 -14.817 -0.530 1.00 0.00 O ATOM 0 H ASP A 55 -5.890 -13.499 -2.250 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.528 -14.793 -2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.844 -15.403 0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.840 -16.086 -1.187 1.00 0.00 H new ATOM 963 N LYS A 56 -7.783 -11.961 -0.860 1.00 0.00 N ATOM 964 CA LYS A 56 -8.342 -10.790 -0.194 1.00 0.00 C ATOM 965 C LYS A 56 -8.448 -9.613 -1.164 1.00 0.00 C ATOM 966 O LYS A 56 -7.446 -9.179 -1.734 1.00 0.00 O ATOM 967 CB LYS A 56 -7.476 -10.399 1.003 1.00 0.00 C ATOM 968 CG LYS A 56 -7.735 -11.248 2.238 1.00 0.00 C ATOM 969 CD LYS A 56 -6.448 -11.548 2.989 1.00 0.00 C ATOM 970 CE LYS A 56 -6.615 -11.351 4.487 1.00 0.00 C ATOM 971 NZ LYS A 56 -7.612 -12.297 5.063 1.00 0.00 N ATOM 0 H LYS A 56 -6.825 -11.842 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.343 -11.043 0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.425 -10.485 0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.657 -9.352 1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.430 -10.729 2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.212 -12.183 1.944 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.140 -12.574 2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.653 -10.899 2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.654 -11.491 4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.929 -10.326 4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.315 -12.575 6.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.542 -11.835 5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.676 -13.143 4.461 1.00 0.00 H new ATOM 985 N PRO A 57 -9.665 -9.073 -1.366 1.00 0.00 N ATOM 986 CA PRO A 57 -9.880 -7.942 -2.272 1.00 0.00 C ATOM 987 C PRO A 57 -8.923 -6.789 -1.988 1.00 0.00 C ATOM 988 O PRO A 57 -8.221 -6.792 -0.976 1.00 0.00 O ATOM 989 CB PRO A 57 -11.333 -7.517 -2.004 1.00 0.00 C ATOM 990 CG PRO A 57 -11.752 -8.257 -0.776 1.00 0.00 C ATOM 991 CD PRO A 57 -10.918 -9.504 -0.733 1.00 0.00 C ATOM 0 HA PRO A 57 -9.699 -8.218 -3.311 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.404 -6.440 -1.855 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.975 -7.765 -2.849 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.593 -7.652 0.116 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.814 -8.500 -0.811 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.758 -9.850 0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.386 -10.324 -1.278 1.00 0.00 H new ATOM 999 N PRO A 58 -8.878 -5.788 -2.882 1.00 0.00 N ATOM 1000 CA PRO A 58 -7.996 -4.628 -2.723 1.00 0.00 C ATOM 1001 C PRO A 58 -8.296 -3.837 -1.454 1.00 0.00 C ATOM 1002 O PRO A 58 -8.940 -2.790 -1.502 1.00 0.00 O ATOM 1003 CB PRO A 58 -8.282 -3.774 -3.966 1.00 0.00 C ATOM 1004 CG PRO A 58 -9.598 -4.253 -4.476 1.00 0.00 C ATOM 1005 CD PRO A 58 -9.678 -5.708 -4.116 1.00 0.00 C ATOM 0 HA PRO A 58 -6.952 -4.929 -2.632 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.319 -2.714 -3.715 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.501 -3.897 -4.716 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.418 -3.694 -4.025 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.672 -4.113 -5.554 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.707 -6.027 -3.951 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.270 -6.342 -4.903 1.00 0.00 H new ATOM 1013 N ILE A 59 -7.823 -4.345 -0.319 1.00 0.00 N ATOM 1014 CA ILE A 59 -8.039 -3.679 0.960 1.00 0.00 C ATOM 1015 C ILE A 59 -7.319 -2.339 0.997 1.00 0.00 C ATOM 1016 O ILE A 59 -6.161 -2.251 1.405 1.00 0.00 O ATOM 1017 CB ILE A 59 -7.566 -4.550 2.140 1.00 0.00 C ATOM 1018 CG1 ILE A 59 -8.351 -5.858 2.167 1.00 0.00 C ATOM 1019 CG2 ILE A 59 -7.722 -3.808 3.464 1.00 0.00 C ATOM 1020 CD1 ILE A 59 -7.535 -7.037 2.641 1.00 0.00 C ATOM 0 H ILE A 59 -7.290 -5.212 -0.260 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.112 -3.516 1.061 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.508 -4.773 2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.217 -5.740 2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.730 -6.066 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.381 -4.445 4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.126 -2.896 3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.771 -3.553 3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.154 -7.934 2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.683 -7.180 1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.178 -6.849 3.653 1.00 0.00 H new ATOM 1032 N LEU A 60 -8.019 -1.301 0.568 1.00 0.00 N ATOM 1033 CA LEU A 60 -7.461 0.045 0.544 1.00 0.00 C ATOM 1034 C LEU A 60 -7.258 0.566 1.963 1.00 0.00 C ATOM 1035 O LEU A 60 -8.221 0.778 2.700 1.00 0.00 O ATOM 1036 CB LEU A 60 -8.375 0.984 -0.239 1.00 0.00 C ATOM 1037 CG LEU A 60 -8.726 0.510 -1.650 1.00 0.00 C ATOM 1038 CD1 LEU A 60 -10.077 1.060 -2.080 1.00 0.00 C ATOM 1039 CD2 LEU A 60 -7.641 0.923 -2.634 1.00 0.00 C ATOM 0 H LEU A 60 -8.979 -1.364 0.230 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.491 0.007 0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.299 1.121 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.896 1.961 -0.308 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.788 -0.578 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.308 0.711 -3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.847 0.714 -1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.046 2.150 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.906 0.578 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.547 2.009 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.691 0.478 -2.336 1.00 0.00 H new ATOM 1051 N LEU A 61 -5.999 0.759 2.339 1.00 0.00 N ATOM 1052 CA LEU A 61 -5.670 1.244 3.673 1.00 0.00 C ATOM 1053 C LEU A 61 -5.321 2.729 3.655 1.00 0.00 C ATOM 1054 O LEU A 61 -4.906 3.269 2.630 1.00 0.00 O ATOM 1055 CB LEU A 61 -4.509 0.436 4.255 1.00 0.00 C ATOM 1056 CG LEU A 61 -4.916 -0.618 5.284 1.00 0.00 C ATOM 1057 CD1 LEU A 61 -3.690 -1.304 5.865 1.00 0.00 C ATOM 1058 CD2 LEU A 61 -5.749 0.014 6.387 1.00 0.00 C ATOM 0 H LEU A 61 -5.191 0.587 1.740 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.549 1.114 4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.983 -0.058 3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.803 1.124 4.720 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.521 -1.373 4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.003 -2.050 6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.132 -1.790 5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.055 -0.564 6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.031 -0.749 7.112 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.166 0.789 6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.648 0.456 5.957 1.00 0.00 H new ATOM 1070 N VAL A 62 -5.494 3.381 4.801 1.00 0.00 N ATOM 1071 CA VAL A 62 -5.199 4.804 4.924 1.00 0.00 C ATOM 1072 C VAL A 62 -5.113 5.216 6.389 1.00 0.00 C ATOM 1073 O VAL A 62 -5.901 4.762 7.218 1.00 0.00 O ATOM 1074 CB VAL A 62 -6.262 5.673 4.217 1.00 0.00 C ATOM 1075 CG1 VAL A 62 -5.850 5.961 2.782 1.00 0.00 C ATOM 1076 CG2 VAL A 62 -7.629 5.003 4.263 1.00 0.00 C ATOM 0 H VAL A 62 -5.837 2.946 5.658 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.236 4.969 4.440 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.334 6.622 4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.612 6.574 2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.899 6.493 2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.744 5.022 2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.361 5.634 3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.577 4.036 3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.929 4.858 5.301 1.00 0.00 H new ATOM 1086 N ALA A 63 -4.153 6.080 6.703 1.00 0.00 N ATOM 1087 CA ALA A 63 -3.971 6.551 8.071 1.00 0.00 C ATOM 1088 C ALA A 63 -5.221 7.264 8.572 1.00 0.00 C ATOM 1089 O ALA A 63 -6.069 7.682 7.782 1.00 0.00 O ATOM 1090 CB ALA A 63 -2.759 7.466 8.159 1.00 0.00 C ATOM 0 H ALA A 63 -3.491 6.467 6.031 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.799 5.685 8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.636 7.809 9.186 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.868 6.920 7.850 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.903 8.325 7.504 1.00 0.00 H new ATOM 1096 N GLY A 64 -5.337 7.395 9.890 1.00 0.00 N ATOM 1097 CA GLY A 64 -6.495 8.051 10.470 1.00 0.00 C ATOM 1098 C GLY A 64 -7.697 7.131 10.521 1.00 0.00 C ATOM 1099 O GLY A 64 -8.115 6.701 11.597 1.00 0.00 O ATOM 0 H GLY A 64 -4.651 7.059 10.566 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.254 8.390 11.478 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.741 8.938 9.886 1.00 0.00 H new ATOM 1103 N LYS A 65 -8.251 6.825 9.354 1.00 0.00 N ATOM 1104 CA LYS A 65 -9.406 5.943 9.262 1.00 0.00 C ATOM 1105 C LYS A 65 -9.018 4.516 9.640 1.00 0.00 C ATOM 1106 O LYS A 65 -9.720 3.847 10.398 1.00 0.00 O ATOM 1107 CB LYS A 65 -9.982 5.974 7.844 1.00 0.00 C ATOM 1108 CG LYS A 65 -11.423 6.455 7.782 1.00 0.00 C ATOM 1109 CD LYS A 65 -12.331 5.605 8.655 1.00 0.00 C ATOM 1110 CE LYS A 65 -13.793 5.986 8.477 1.00 0.00 C ATOM 1111 NZ LYS A 65 -14.667 4.788 8.345 1.00 0.00 N ATOM 0 H LYS A 65 -7.917 7.176 8.456 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.167 6.293 9.960 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.364 6.624 7.224 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.923 4.974 7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.475 7.495 8.105 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.774 6.424 6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.195 4.552 8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.048 5.724 9.701 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.119 6.581 9.330 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.900 6.613 7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.655 5.090 8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.372 4.233 7.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.585 4.203 9.201 1.00 0.00 H new ATOM 1125 N ASP A 66 -7.887 4.063 9.108 1.00 0.00 N ATOM 1126 CA ASP A 66 -7.389 2.723 9.386 1.00 0.00 C ATOM 1127 C ASP A 66 -6.077 2.789 10.162 1.00 0.00 C ATOM 1128 O ASP A 66 -5.081 2.190 9.766 1.00 0.00 O ATOM 1129 CB ASP A 66 -7.189 1.952 8.083 1.00 0.00 C ATOM 1130 CG ASP A 66 -8.427 1.962 7.208 1.00 0.00 C ATOM 1131 OD1 ASP A 66 -9.529 2.207 7.742 1.00 0.00 O ATOM 1132 OD2 ASP A 66 -8.294 1.723 5.989 1.00 0.00 O ATOM 0 H ASP A 66 -7.297 4.608 8.479 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.127 2.201 9.995 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.355 2.386 7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.918 0.921 8.312 1.00 0.00 H new ATOM 1137 N ASP A 67 -6.087 3.528 11.267 1.00 0.00 N ATOM 1138 CA ASP A 67 -4.895 3.679 12.095 1.00 0.00 C ATOM 1139 C ASP A 67 -4.450 2.336 12.668 1.00 0.00 C ATOM 1140 O ASP A 67 -3.256 2.059 12.768 1.00 0.00 O ATOM 1141 CB ASP A 67 -5.160 4.665 13.234 1.00 0.00 C ATOM 1142 CG ASP A 67 -4.991 6.110 12.803 1.00 0.00 C ATOM 1143 OD1 ASP A 67 -3.976 6.419 12.142 1.00 0.00 O ATOM 1144 OD2 ASP A 67 -5.873 6.933 13.127 1.00 0.00 O ATOM 0 H ASP A 67 -6.906 4.031 11.610 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.096 4.066 11.463 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.172 4.517 13.610 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.480 4.453 14.059 1.00 0.00 H new ATOM 1149 N MET A 68 -5.419 1.508 13.047 1.00 0.00 N ATOM 1150 CA MET A 68 -5.123 0.197 13.614 1.00 0.00 C ATOM 1151 C MET A 68 -4.930 -0.841 12.515 1.00 0.00 C ATOM 1152 O MET A 68 -4.166 -1.793 12.674 1.00 0.00 O ATOM 1153 CB MET A 68 -6.247 -0.238 14.555 1.00 0.00 C ATOM 1154 CG MET A 68 -6.325 0.585 15.830 1.00 0.00 C ATOM 1155 SD MET A 68 -5.076 0.109 17.041 1.00 0.00 S ATOM 1156 CE MET A 68 -5.719 -1.472 17.581 1.00 0.00 C ATOM 0 H MET A 68 -6.414 1.721 12.972 1.00 0.00 H new ATOM 0 HA MET A 68 -4.195 0.274 14.180 1.00 0.00 H new ATOM 0 HB2 MET A 68 -7.199 -0.167 14.028 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.105 -1.286 14.817 1.00 0.00 H new ATOM 0 HG2 MET A 68 -6.204 1.640 15.585 1.00 0.00 H new ATOM 0 HG3 MET A 68 -7.315 0.472 16.271 1.00 0.00 H new ATOM 0 HE1 MET A 68 -5.287 -1.729 18.548 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.803 -1.412 17.673 1.00 0.00 H new ATOM 0 HE3 MET A 68 -5.459 -2.239 16.852 1.00 0.00 H new ATOM 1166 N GLU A 69 -5.629 -0.654 11.401 1.00 0.00 N ATOM 1167 CA GLU A 69 -5.539 -1.576 10.278 1.00 0.00 C ATOM 1168 C GLU A 69 -4.232 -1.379 9.509 1.00 0.00 C ATOM 1169 O GLU A 69 -3.635 -2.342 9.030 1.00 0.00 O ATOM 1170 CB GLU A 69 -6.736 -1.389 9.344 1.00 0.00 C ATOM 1171 CG GLU A 69 -7.556 -2.651 9.145 1.00 0.00 C ATOM 1172 CD GLU A 69 -8.012 -2.831 7.709 1.00 0.00 C ATOM 1173 OE1 GLU A 69 -7.218 -3.349 6.897 1.00 0.00 O ATOM 1174 OE2 GLU A 69 -9.161 -2.456 7.400 1.00 0.00 O ATOM 0 H GLU A 69 -6.265 0.130 11.253 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.551 -2.593 10.671 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.380 -0.607 9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.379 -1.041 8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.964 -3.516 9.445 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.428 -2.620 9.798 1.00 0.00 H new ATOM 1181 N MET A 70 -3.792 -0.125 9.400 1.00 0.00 N ATOM 1182 CA MET A 70 -2.553 0.200 8.692 1.00 0.00 C ATOM 1183 C MET A 70 -1.412 -0.723 9.120 1.00 0.00 C ATOM 1184 O MET A 70 -1.555 -1.510 10.056 1.00 0.00 O ATOM 1185 CB MET A 70 -2.163 1.657 8.950 1.00 0.00 C ATOM 1186 CG MET A 70 -1.268 2.249 7.875 1.00 0.00 C ATOM 1187 SD MET A 70 -1.657 3.975 7.519 1.00 0.00 S ATOM 1188 CE MET A 70 -2.192 3.855 5.814 1.00 0.00 C ATOM 0 H MET A 70 -4.275 0.683 9.793 1.00 0.00 H new ATOM 0 HA MET A 70 -2.730 0.056 7.626 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.069 2.258 9.028 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.653 1.723 9.911 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.228 2.173 8.191 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.367 1.662 6.962 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.365 4.855 5.416 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.421 3.358 5.225 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.116 3.279 5.762 1.00 0.00 H new ATOM 1198 N CYS A 71 -0.281 -0.618 8.427 1.00 0.00 N ATOM 1199 CA CYS A 71 0.889 -1.440 8.728 1.00 0.00 C ATOM 1200 C CYS A 71 1.166 -1.477 10.230 1.00 0.00 C ATOM 1201 O CYS A 71 1.489 -2.528 10.784 1.00 0.00 O ATOM 1202 CB CYS A 71 2.115 -0.908 7.979 1.00 0.00 C ATOM 1203 SG CYS A 71 2.713 0.692 8.571 1.00 0.00 S ATOM 0 H CYS A 71 -0.149 0.030 7.651 1.00 0.00 H new ATOM 0 HA CYS A 71 0.681 -2.457 8.397 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.921 -1.637 8.062 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.870 -0.822 6.920 1.00 0.00 H new ATOM 0 HG CYS A 71 3.527 1.202 7.695 1.00 0.00 H new ATOM 1209 N GLU A 72 1.033 -0.320 10.882 1.00 0.00 N ATOM 1210 CA GLU A 72 1.261 -0.201 12.325 1.00 0.00 C ATOM 1211 C GLU A 72 2.747 -0.053 12.656 1.00 0.00 C ATOM 1212 O GLU A 72 3.105 0.308 13.778 1.00 0.00 O ATOM 1213 CB GLU A 72 0.679 -1.406 13.071 1.00 0.00 C ATOM 1214 CG GLU A 72 0.396 -1.134 14.539 1.00 0.00 C ATOM 1215 CD GLU A 72 -0.631 -2.085 15.121 1.00 0.00 C ATOM 1216 OE1 GLU A 72 -1.792 -2.060 14.660 1.00 0.00 O ATOM 1217 OE2 GLU A 72 -0.276 -2.854 16.039 1.00 0.00 O ATOM 0 H GLU A 72 0.766 0.555 10.430 1.00 0.00 H new ATOM 0 HA GLU A 72 0.750 0.703 12.655 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.246 -1.713 12.582 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.374 -2.242 12.992 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.324 -1.216 15.105 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.043 -0.109 14.653 1.00 0.00 H new ATOM 1224 N LYS A 73 3.613 -0.332 11.683 1.00 0.00 N ATOM 1225 CA LYS A 73 5.051 -0.224 11.890 1.00 0.00 C ATOM 1226 C LYS A 73 5.618 0.984 11.148 1.00 0.00 C ATOM 1227 O LYS A 73 4.879 1.753 10.535 1.00 0.00 O ATOM 1228 CB LYS A 73 5.750 -1.500 11.418 1.00 0.00 C ATOM 1229 CG LYS A 73 5.458 -2.710 12.290 1.00 0.00 C ATOM 1230 CD LYS A 73 4.238 -3.469 11.795 1.00 0.00 C ATOM 1231 CE LYS A 73 4.632 -4.694 10.984 1.00 0.00 C ATOM 1232 NZ LYS A 73 4.234 -5.962 11.658 1.00 0.00 N ATOM 0 H LYS A 73 3.342 -0.634 10.747 1.00 0.00 H new ATOM 0 HA LYS A 73 5.232 -0.091 12.957 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.442 -1.716 10.395 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.826 -1.329 11.397 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.323 -3.373 12.296 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.296 -2.388 13.319 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.629 -3.775 12.646 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.622 -2.810 11.183 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.164 -4.644 10.001 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.710 -4.691 10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.521 -6.772 11.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.700 -6.023 12.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.202 -5.977 11.788 1.00 0.00 H new ATOM 1246 N ASN A 74 6.937 1.140 11.205 1.00 0.00 N ATOM 1247 CA ASN A 74 7.609 2.246 10.535 1.00 0.00 C ATOM 1248 C ASN A 74 8.350 1.749 9.298 1.00 0.00 C ATOM 1249 O ASN A 74 8.411 0.547 9.045 1.00 0.00 O ATOM 1250 CB ASN A 74 8.583 2.938 11.495 1.00 0.00 C ATOM 1251 CG ASN A 74 7.870 3.661 12.625 1.00 0.00 C ATOM 1252 OD1 ASN A 74 7.318 3.029 13.526 1.00 0.00 O ATOM 1253 ND2 ASN A 74 7.875 4.991 12.582 1.00 0.00 N ATOM 0 H ASN A 74 7.562 0.512 11.710 1.00 0.00 H new ATOM 0 HA ASN A 74 6.856 2.969 10.221 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.263 2.197 11.914 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.192 3.651 10.939 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.409 5.527 13.314 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.345 5.475 11.817 1.00 0.00 H new ATOM 1260 N LEU A 75 8.904 2.678 8.529 1.00 0.00 N ATOM 1261 CA LEU A 75 9.633 2.332 7.313 1.00 0.00 C ATOM 1262 C LEU A 75 10.769 1.352 7.602 1.00 0.00 C ATOM 1263 O LEU A 75 10.970 0.386 6.867 1.00 0.00 O ATOM 1264 CB LEU A 75 10.189 3.594 6.652 1.00 0.00 C ATOM 1265 CG LEU A 75 10.900 3.370 5.317 1.00 0.00 C ATOM 1266 CD1 LEU A 75 9.997 2.617 4.351 1.00 0.00 C ATOM 1267 CD2 LEU A 75 11.333 4.700 4.716 1.00 0.00 C ATOM 0 H LEU A 75 8.863 3.678 8.725 1.00 0.00 H new ATOM 0 HA LEU A 75 8.933 1.847 6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.369 4.294 6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.887 4.069 7.342 1.00 0.00 H new ATOM 0 HG LEU A 75 11.790 2.766 5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.520 2.467 3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.734 1.649 4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.090 3.195 4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.838 4.523 3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.457 5.327 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.015 5.204 5.401 1.00 0.00 H new ATOM 1279 N GLU A 76 11.515 1.613 8.669 1.00 0.00 N ATOM 1280 CA GLU A 76 12.634 0.756 9.046 1.00 0.00 C ATOM 1281 C GLU A 76 12.157 -0.592 9.586 1.00 0.00 C ATOM 1282 O GLU A 76 12.686 -1.641 9.219 1.00 0.00 O ATOM 1283 CB GLU A 76 13.503 1.455 10.093 1.00 0.00 C ATOM 1284 CG GLU A 76 14.689 0.621 10.554 1.00 0.00 C ATOM 1285 CD GLU A 76 15.847 1.470 11.039 1.00 0.00 C ATOM 1286 OE1 GLU A 76 15.782 1.965 12.184 1.00 0.00 O ATOM 1287 OE2 GLU A 76 16.820 1.639 10.275 1.00 0.00 O ATOM 0 H GLU A 76 11.366 2.410 9.288 1.00 0.00 H new ATOM 0 HA GLU A 76 13.223 0.569 8.148 1.00 0.00 H new ATOM 0 HB2 GLU A 76 13.869 2.395 9.680 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.887 1.704 10.957 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.370 -0.044 11.357 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.026 -0.010 9.732 1.00 0.00 H new ATOM 1294 N GLU A 77 11.171 -0.554 10.476 1.00 0.00 N ATOM 1295 CA GLU A 77 10.639 -1.768 11.088 1.00 0.00 C ATOM 1296 C GLU A 77 9.841 -2.615 10.097 1.00 0.00 C ATOM 1297 O GLU A 77 9.769 -3.836 10.236 1.00 0.00 O ATOM 1298 CB GLU A 77 9.756 -1.411 12.286 1.00 0.00 C ATOM 1299 CG GLU A 77 9.786 -2.450 13.396 1.00 0.00 C ATOM 1300 CD GLU A 77 10.219 -1.870 14.729 1.00 0.00 C ATOM 1301 OE1 GLU A 77 10.954 -0.860 14.728 1.00 0.00 O ATOM 1302 OE2 GLU A 77 9.822 -2.427 15.776 1.00 0.00 O ATOM 0 H GLU A 77 10.723 0.306 10.791 1.00 0.00 H new ATOM 0 HA GLU A 77 11.492 -2.361 11.419 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.077 -0.451 12.690 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.728 -1.286 11.945 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.795 -2.892 13.501 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.466 -3.255 13.117 1.00 0.00 H new ATOM 1309 N THR A 78 9.235 -1.971 9.103 1.00 0.00 N ATOM 1310 CA THR A 78 8.441 -2.687 8.109 1.00 0.00 C ATOM 1311 C THR A 78 9.265 -3.770 7.419 1.00 0.00 C ATOM 1312 O THR A 78 9.007 -4.962 7.590 1.00 0.00 O ATOM 1313 CB THR A 78 7.878 -1.720 7.067 1.00 0.00 C ATOM 1314 OG1 THR A 78 8.770 -0.644 6.838 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.536 -1.136 7.459 1.00 0.00 C ATOM 0 H THR A 78 9.278 -0.961 8.965 1.00 0.00 H new ATOM 0 HA THR A 78 7.613 -3.165 8.633 1.00 0.00 H new ATOM 0 HB THR A 78 7.748 -2.315 6.163 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.567 0.087 7.458 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.192 -0.458 6.678 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.812 -1.941 7.586 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.637 -0.588 8.396 1.00 0.00 H new ATOM 1323 N GLY A 79 10.257 -3.353 6.640 1.00 0.00 N ATOM 1324 CA GLY A 79 11.097 -4.306 5.940 1.00 0.00 C ATOM 1325 C GLY A 79 11.271 -3.971 4.471 1.00 0.00 C ATOM 1326 O GLY A 79 12.218 -4.431 3.832 1.00 0.00 O ATOM 0 H GLY A 79 10.494 -2.374 6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.076 -4.340 6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.663 -5.302 6.032 1.00 0.00 H new ATOM 1330 N LEU A 80 10.359 -3.165 3.930 1.00 0.00 N ATOM 1331 CA LEU A 80 10.424 -2.769 2.527 1.00 0.00 C ATOM 1332 C LEU A 80 11.790 -2.179 2.193 1.00 0.00 C ATOM 1333 O LEU A 80 12.266 -2.283 1.062 1.00 0.00 O ATOM 1334 CB LEU A 80 9.324 -1.756 2.209 1.00 0.00 C ATOM 1335 CG LEU A 80 7.901 -2.230 2.510 1.00 0.00 C ATOM 1336 CD1 LEU A 80 7.018 -1.052 2.894 1.00 0.00 C ATOM 1337 CD2 LEU A 80 7.318 -2.962 1.310 1.00 0.00 C ATOM 0 H LEU A 80 9.568 -2.775 4.442 1.00 0.00 H new ATOM 0 HA LEU A 80 10.273 -3.659 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.515 -0.845 2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.387 -1.493 1.153 1.00 0.00 H new ATOM 0 HG LEU A 80 7.939 -2.922 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.009 -1.407 3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.425 -0.566 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.987 -0.337 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.305 -3.292 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.293 -2.291 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.937 -3.828 1.076 1.00 0.00 H new ATOM 1349 N THR A 81 12.414 -1.560 3.189 1.00 0.00 N ATOM 1350 CA THR A 81 13.729 -0.953 3.011 1.00 0.00 C ATOM 1351 C THR A 81 14.832 -1.981 3.231 1.00 0.00 C ATOM 1352 O THR A 81 15.800 -2.040 2.474 1.00 0.00 O ATOM 1353 CB THR A 81 13.908 0.220 3.977 1.00 0.00 C ATOM 1354 OG1 THR A 81 13.455 -0.127 5.274 1.00 0.00 O ATOM 1355 CG2 THR A 81 13.166 1.466 3.550 1.00 0.00 C ATOM 0 H THR A 81 12.030 -1.465 4.129 1.00 0.00 H new ATOM 0 HA THR A 81 13.798 -0.584 1.988 1.00 0.00 H new ATOM 0 HB THR A 81 14.976 0.436 3.975 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.567 0.260 5.425 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.336 2.258 4.279 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.527 1.788 2.573 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.099 1.251 3.489 1.00 0.00 H new ATOM 1363 N ARG A 82 14.675 -2.790 4.272 1.00 0.00 N ATOM 1364 CA ARG A 82 15.655 -3.821 4.594 1.00 0.00 C ATOM 1365 C ARG A 82 15.793 -4.812 3.443 1.00 0.00 C ATOM 1366 O ARG A 82 16.861 -5.389 3.234 1.00 0.00 O ATOM 1367 CB ARG A 82 15.249 -4.556 5.872 1.00 0.00 C ATOM 1368 CG ARG A 82 14.839 -3.629 7.005 1.00 0.00 C ATOM 1369 CD ARG A 82 15.244 -4.187 8.360 1.00 0.00 C ATOM 1370 NE ARG A 82 15.919 -3.189 9.185 1.00 0.00 N ATOM 1371 CZ ARG A 82 16.097 -3.309 10.499 1.00 0.00 C ATOM 1372 NH1 ARG A 82 15.653 -4.384 11.140 1.00 0.00 N ATOM 1373 NH2 ARG A 82 16.724 -2.354 11.172 1.00 0.00 N ATOM 0 H ARG A 82 13.878 -2.752 4.908 1.00 0.00 H new ATOM 0 HA ARG A 82 16.619 -3.339 4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.421 -5.228 5.647 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.082 -5.176 6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.300 -2.652 6.861 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.760 -3.479 6.981 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.358 -4.549 8.882 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.902 -5.044 8.217 1.00 0.00 H new ATOM 0 HE ARG A 82 16.275 -2.350 8.727 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.173 -5.123 10.626 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.792 -4.471 12.147 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.070 -1.528 10.683 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.861 -2.445 12.179 1.00 0.00 H new ATOM 1387 N LYS A 83 14.707 -5.005 2.702 1.00 0.00 N ATOM 1388 CA LYS A 83 14.706 -5.926 1.571 1.00 0.00 C ATOM 1389 C LYS A 83 15.599 -5.412 0.448 1.00 0.00 C ATOM 1390 O LYS A 83 16.250 -4.376 0.584 1.00 0.00 O ATOM 1391 CB LYS A 83 13.280 -6.128 1.054 1.00 0.00 C ATOM 1392 CG LYS A 83 12.522 -7.228 1.779 1.00 0.00 C ATOM 1393 CD LYS A 83 11.147 -7.451 1.173 1.00 0.00 C ATOM 1394 CE LYS A 83 10.392 -8.554 1.896 1.00 0.00 C ATOM 1395 NZ LYS A 83 9.488 -9.304 0.979 1.00 0.00 N ATOM 0 H LYS A 83 13.816 -4.536 2.864 1.00 0.00 H new ATOM 0 HA LYS A 83 15.101 -6.883 1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.730 -5.192 1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.318 -6.364 -0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.094 -8.155 1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.418 -6.966 2.832 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.573 -6.525 1.219 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.250 -7.710 0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.104 -9.244 2.348 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.807 -8.121 2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.406 -10.289 1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.547 -8.860 0.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.879 -9.286 0.015 1.00 0.00 H new ATOM 1409 N ARG A 84 15.629 -6.147 -0.660 1.00 0.00 N ATOM 1410 CA ARG A 84 16.447 -5.765 -1.805 1.00 0.00 C ATOM 1411 C ARG A 84 15.744 -4.711 -2.655 1.00 0.00 C ATOM 1412 O ARG A 84 15.254 -5.003 -3.747 1.00 0.00 O ATOM 1413 CB ARG A 84 16.768 -6.994 -2.659 1.00 0.00 C ATOM 1414 CG ARG A 84 17.370 -8.143 -1.867 1.00 0.00 C ATOM 1415 CD ARG A 84 18.875 -7.985 -1.714 1.00 0.00 C ATOM 1416 NE ARG A 84 19.456 -9.045 -0.893 1.00 0.00 N ATOM 1417 CZ ARG A 84 19.599 -10.304 -1.301 1.00 0.00 C ATOM 1418 NH1 ARG A 84 19.203 -10.663 -2.515 1.00 0.00 N ATOM 1419 NH2 ARG A 84 20.140 -11.205 -0.493 1.00 0.00 N ATOM 0 H ARG A 84 15.098 -7.008 -0.788 1.00 0.00 H new ATOM 0 HA ARG A 84 17.376 -5.337 -1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.855 -7.337 -3.145 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.461 -6.706 -3.450 1.00 0.00 H new ATOM 0 HG2 ARG A 84 16.906 -8.190 -0.882 1.00 0.00 H new ATOM 0 HG3 ARG A 84 17.151 -9.086 -2.368 1.00 0.00 H new ATOM 0 HD2 ARG A 84 19.342 -7.992 -2.699 1.00 0.00 H new ATOM 0 HD3 ARG A 84 19.094 -7.017 -1.264 1.00 0.00 H new ATOM 0 HE ARG A 84 19.770 -8.806 0.048 1.00 0.00 H new ATOM 0 HH11 ARG A 84 18.787 -9.973 -3.140 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.315 -11.629 -2.823 1.00 0.00 H new ATOM 0 HH21 ARG A 84 20.447 -10.934 0.441 1.00 0.00 H new ATOM 0 HH22 ARG A 84 20.250 -12.170 -0.805 1.00 0.00 H new ATOM 1433 N GLY A 85 15.701 -3.484 -2.148 1.00 0.00 N ATOM 1434 CA GLY A 85 15.060 -2.402 -2.874 1.00 0.00 C ATOM 1435 C GLY A 85 13.605 -2.691 -3.188 1.00 0.00 C ATOM 1436 O GLY A 85 13.229 -2.819 -4.354 1.00 0.00 O ATOM 0 H GLY A 85 16.099 -3.219 -1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.126 -1.486 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.600 -2.224 -3.804 1.00 0.00 H new ATOM 1440 N ALA A 86 12.785 -2.795 -2.149 1.00 0.00 N ATOM 1441 CA ALA A 86 11.364 -3.070 -2.321 1.00 0.00 C ATOM 1442 C ALA A 86 10.603 -1.824 -2.774 1.00 0.00 C ATOM 1443 O ALA A 86 9.407 -1.891 -3.065 1.00 0.00 O ATOM 1444 CB ALA A 86 10.773 -3.606 -1.026 1.00 0.00 C ATOM 0 H ALA A 86 13.080 -2.693 -1.178 1.00 0.00 H new ATOM 0 HA ALA A 86 11.261 -3.825 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.711 -3.808 -1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.284 -4.528 -0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.900 -2.867 -0.235 1.00 0.00 H new ATOM 1450 N GLU A 87 11.295 -0.687 -2.834 1.00 0.00 N ATOM 1451 CA GLU A 87 10.673 0.566 -3.252 1.00 0.00 C ATOM 1452 C GLU A 87 10.009 0.422 -4.618 1.00 0.00 C ATOM 1453 O GLU A 87 10.448 -0.366 -5.456 1.00 0.00 O ATOM 1454 CB GLU A 87 11.713 1.687 -3.295 1.00 0.00 C ATOM 1455 CG GLU A 87 11.104 3.071 -3.452 1.00 0.00 C ATOM 1456 CD GLU A 87 12.129 4.118 -3.847 1.00 0.00 C ATOM 1457 OE1 GLU A 87 13.195 3.736 -4.374 1.00 0.00 O ATOM 1458 OE2 GLU A 87 11.862 5.318 -3.633 1.00 0.00 O ATOM 0 H GLU A 87 12.284 -0.609 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 87 9.904 0.818 -2.522 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.303 1.660 -2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.399 1.504 -4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.318 3.035 -4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.633 3.365 -2.514 1.00 0.00 H new ATOM 1465 N ILE A 88 8.947 1.193 -4.835 1.00 0.00 N ATOM 1466 CA ILE A 88 8.219 1.158 -6.096 1.00 0.00 C ATOM 1467 C ILE A 88 7.878 2.565 -6.573 1.00 0.00 C ATOM 1468 O ILE A 88 8.035 3.537 -5.833 1.00 0.00 O ATOM 1469 CB ILE A 88 6.920 0.344 -5.973 1.00 0.00 C ATOM 1470 CG1 ILE A 88 6.015 0.941 -4.901 1.00 0.00 C ATOM 1471 CG2 ILE A 88 7.231 -1.110 -5.659 1.00 0.00 C ATOM 1472 CD1 ILE A 88 4.555 0.642 -5.131 1.00 0.00 C ATOM 0 H ILE A 88 8.572 1.850 -4.151 1.00 0.00 H new ATOM 0 HA ILE A 88 8.873 0.678 -6.824 1.00 0.00 H new ATOM 0 HB ILE A 88 6.396 0.385 -6.928 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.311 0.553 -3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.159 2.021 -4.872 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.300 -1.671 -5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.839 -1.533 -6.459 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.777 -1.170 -4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.962 1.093 -4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.246 1.054 -6.092 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.400 -0.437 -5.132 1.00 0.00 H new ATOM 1484 N LEU A 89 7.409 2.668 -7.811 1.00 0.00 N ATOM 1485 CA LEU A 89 7.042 3.959 -8.382 1.00 0.00 C ATOM 1486 C LEU A 89 5.635 4.361 -7.950 1.00 0.00 C ATOM 1487 O LEU A 89 4.764 3.509 -7.777 1.00 0.00 O ATOM 1488 CB LEU A 89 7.131 3.912 -9.908 1.00 0.00 C ATOM 1489 CG LEU A 89 6.148 2.957 -10.586 1.00 0.00 C ATOM 1490 CD1 LEU A 89 5.702 3.515 -11.931 1.00 0.00 C ATOM 1491 CD2 LEU A 89 6.776 1.583 -10.758 1.00 0.00 C ATOM 0 H LEU A 89 7.274 1.875 -8.438 1.00 0.00 H new ATOM 0 HA LEU A 89 7.744 4.706 -8.012 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.965 4.916 -10.297 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.144 3.625 -10.189 1.00 0.00 H new ATOM 0 HG LEU A 89 5.269 2.856 -9.949 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.003 2.822 -12.399 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.213 4.478 -11.781 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.570 3.645 -12.577 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.063 0.915 -11.242 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.671 1.667 -11.374 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.044 1.181 -9.781 1.00 0.00 H new ATOM 1503 N PRO A 90 5.394 5.671 -7.763 1.00 0.00 N ATOM 1504 CA PRO A 90 4.083 6.181 -7.344 1.00 0.00 C ATOM 1505 C PRO A 90 3.012 5.990 -8.414 1.00 0.00 C ATOM 1506 O PRO A 90 1.820 5.927 -8.108 1.00 0.00 O ATOM 1507 CB PRO A 90 4.338 7.671 -7.101 1.00 0.00 C ATOM 1508 CG PRO A 90 5.527 7.995 -7.937 1.00 0.00 C ATOM 1509 CD PRO A 90 6.376 6.756 -7.943 1.00 0.00 C ATOM 0 HA PRO A 90 3.705 5.652 -6.469 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.476 8.272 -7.390 1.00 0.00 H new ATOM 0 HB3 PRO A 90 4.529 7.873 -6.047 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.230 8.270 -8.949 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.075 8.842 -7.525 1.00 0.00 H new ATOM 0 HD2 PRO A 90 6.926 6.650 -8.878 1.00 0.00 H new ATOM 0 HD3 PRO A 90 7.113 6.769 -7.140 1.00 0.00 H new ATOM 1517 N ARG A 91 3.441 5.900 -9.668 1.00 0.00 N ATOM 1518 CA ARG A 91 2.514 5.718 -10.779 1.00 0.00 C ATOM 1519 C ARG A 91 1.721 4.423 -10.623 1.00 0.00 C ATOM 1520 O ARG A 91 0.491 4.431 -10.656 1.00 0.00 O ATOM 1521 CB ARG A 91 3.276 5.709 -12.107 1.00 0.00 C ATOM 1522 CG ARG A 91 3.074 6.971 -12.932 1.00 0.00 C ATOM 1523 CD ARG A 91 1.987 6.786 -13.979 1.00 0.00 C ATOM 1524 NE ARG A 91 0.815 7.614 -13.704 1.00 0.00 N ATOM 1525 CZ ARG A 91 -0.114 7.908 -14.610 1.00 0.00 C ATOM 1526 NH1 ARG A 91 -0.013 7.444 -15.849 1.00 0.00 N ATOM 1527 NH2 ARG A 91 -1.148 8.670 -14.277 1.00 0.00 N ATOM 0 H ARG A 91 4.423 5.950 -9.940 1.00 0.00 H new ATOM 0 HA ARG A 91 1.812 6.552 -10.775 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.340 5.583 -11.905 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.958 4.847 -12.693 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.809 7.798 -12.274 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.010 7.240 -13.422 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.385 7.036 -14.963 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.690 5.738 -14.012 1.00 0.00 H new ATOM 0 HE ARG A 91 0.702 7.989 -12.762 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.780 6.859 -16.111 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.728 7.673 -16.539 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.231 9.030 -13.326 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.860 8.895 -14.972 1.00 0.00 H new ATOM 1541 N GLN A 92 2.435 3.315 -10.456 1.00 0.00 N ATOM 1542 CA GLN A 92 1.801 2.010 -10.297 1.00 0.00 C ATOM 1543 C GLN A 92 0.865 2.000 -9.093 1.00 0.00 C ATOM 1544 O GLN A 92 -0.285 1.572 -9.192 1.00 0.00 O ATOM 1545 CB GLN A 92 2.863 0.921 -10.138 1.00 0.00 C ATOM 1546 CG GLN A 92 3.298 0.302 -11.457 1.00 0.00 C ATOM 1547 CD GLN A 92 2.509 -0.945 -11.804 1.00 0.00 C ATOM 1548 OE1 GLN A 92 1.325 -1.053 -11.485 1.00 0.00 O ATOM 1549 NE2 GLN A 92 3.162 -1.897 -12.460 1.00 0.00 N ATOM 0 H GLN A 92 3.454 3.294 -10.427 1.00 0.00 H new ATOM 0 HA GLN A 92 1.213 1.810 -11.193 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.735 1.345 -9.639 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.474 0.137 -9.488 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.180 1.036 -12.255 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.358 0.054 -11.406 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.143 -1.766 -12.705 1.00 0.00 H new ATOM 0 HE22 GLN A 92 2.682 -2.759 -12.719 1.00 0.00 H new ATOM 1558 N PHE A 93 1.364 2.477 -7.958 1.00 0.00 N ATOM 1559 CA PHE A 93 0.574 2.526 -6.733 1.00 0.00 C ATOM 1560 C PHE A 93 -0.721 3.299 -6.957 1.00 0.00 C ATOM 1561 O PHE A 93 -1.810 2.802 -6.673 1.00 0.00 O ATOM 1562 CB PHE A 93 1.381 3.173 -5.606 1.00 0.00 C ATOM 1563 CG PHE A 93 0.680 3.151 -4.276 1.00 0.00 C ATOM 1564 CD1 PHE A 93 -0.435 3.941 -4.052 1.00 0.00 C ATOM 1565 CD2 PHE A 93 1.138 2.338 -3.251 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -1.083 3.921 -2.831 1.00 0.00 C ATOM 1567 CE2 PHE A 93 0.495 2.314 -2.028 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.615 3.108 -1.817 1.00 0.00 C ATOM 0 H PHE A 93 2.314 2.836 -7.861 1.00 0.00 H new ATOM 0 HA PHE A 93 0.323 1.504 -6.448 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.337 2.658 -5.512 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.601 4.206 -5.875 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.803 4.581 -4.841 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.007 1.717 -3.410 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.953 4.540 -2.670 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.860 1.675 -1.238 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.116 3.093 -0.861 1.00 0.00 H new ATOM 1578 N GLU A 94 -0.592 4.518 -7.471 1.00 0.00 N ATOM 1579 CA GLU A 94 -1.753 5.357 -7.736 1.00 0.00 C ATOM 1580 C GLU A 94 -2.595 4.775 -8.869 1.00 0.00 C ATOM 1581 O GLU A 94 -3.785 5.068 -8.983 1.00 0.00 O ATOM 1582 CB GLU A 94 -1.315 6.782 -8.081 1.00 0.00 C ATOM 1583 CG GLU A 94 -1.703 7.805 -7.025 1.00 0.00 C ATOM 1584 CD GLU A 94 -0.531 8.231 -6.164 1.00 0.00 C ATOM 1585 OE1 GLU A 94 0.178 9.182 -6.555 1.00 0.00 O ATOM 1586 OE2 GLU A 94 -0.322 7.612 -5.099 1.00 0.00 O ATOM 0 H GLU A 94 0.303 4.945 -7.711 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.364 5.387 -6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.233 6.800 -8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.758 7.069 -9.035 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.127 8.682 -7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.483 7.386 -6.389 1.00 0.00 H new ATOM 1593 N GLU A 95 -1.975 3.939 -9.701 1.00 0.00 N ATOM 1594 CA GLU A 95 -2.680 3.314 -10.811 1.00 0.00 C ATOM 1595 C GLU A 95 -3.777 2.405 -10.280 1.00 0.00 C ATOM 1596 O GLU A 95 -4.931 2.495 -10.694 1.00 0.00 O ATOM 1597 CB GLU A 95 -1.706 2.511 -11.679 1.00 0.00 C ATOM 1598 CG GLU A 95 -1.775 2.864 -13.154 1.00 0.00 C ATOM 1599 CD GLU A 95 -2.815 2.051 -13.900 1.00 0.00 C ATOM 1600 OE1 GLU A 95 -4.019 2.231 -13.622 1.00 0.00 O ATOM 1601 OE2 GLU A 95 -2.425 1.237 -14.763 1.00 0.00 O ATOM 0 H GLU A 95 -0.991 3.682 -9.625 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.129 4.095 -11.425 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.690 2.678 -11.321 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.916 1.448 -11.558 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.004 3.924 -13.260 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.798 2.702 -13.609 1.00 0.00 H new ATOM 1608 N ILE A 96 -3.404 1.537 -9.348 1.00 0.00 N ATOM 1609 CA ILE A 96 -4.348 0.615 -8.740 1.00 0.00 C ATOM 1610 C ILE A 96 -5.198 1.325 -7.698 1.00 0.00 C ATOM 1611 O ILE A 96 -6.380 1.020 -7.529 1.00 0.00 O ATOM 1612 CB ILE A 96 -3.618 -0.560 -8.075 1.00 0.00 C ATOM 1613 CG1 ILE A 96 -2.552 -1.118 -9.016 1.00 0.00 C ATOM 1614 CG2 ILE A 96 -4.610 -1.646 -7.678 1.00 0.00 C ATOM 1615 CD1 ILE A 96 -3.077 -1.455 -10.396 1.00 0.00 C ATOM 0 H ILE A 96 -2.450 1.454 -8.997 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.990 0.234 -9.534 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.126 -0.202 -7.171 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.746 -0.390 -9.111 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.121 -2.015 -8.572 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.076 -2.472 -7.208 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.336 -1.236 -6.976 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.128 -2.008 -8.566 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.265 -1.846 -11.009 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.863 -2.206 -10.313 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.482 -0.556 -10.861 1.00 0.00 H new ATOM 1627 N TRP A 97 -4.591 2.287 -7.008 1.00 0.00 N ATOM 1628 CA TRP A 97 -5.294 3.055 -5.988 1.00 0.00 C ATOM 1629 C TRP A 97 -6.579 3.632 -6.567 1.00 0.00 C ATOM 1630 O TRP A 97 -7.626 3.629 -5.920 1.00 0.00 O ATOM 1631 CB TRP A 97 -4.399 4.182 -5.466 1.00 0.00 C ATOM 1632 CG TRP A 97 -4.898 4.806 -4.198 1.00 0.00 C ATOM 1633 CD1 TRP A 97 -5.159 6.128 -3.984 1.00 0.00 C ATOM 1634 CD2 TRP A 97 -5.190 4.132 -2.968 1.00 0.00 C ATOM 1635 NE1 TRP A 97 -5.600 6.318 -2.695 1.00 0.00 N ATOM 1636 CE2 TRP A 97 -5.627 5.107 -2.051 1.00 0.00 C ATOM 1637 CE3 TRP A 97 -5.125 2.800 -2.554 1.00 0.00 C ATOM 1638 CZ2 TRP A 97 -5.997 4.788 -0.745 1.00 0.00 C ATOM 1639 CZ3 TRP A 97 -5.493 2.484 -1.259 1.00 0.00 C ATOM 1640 CH2 TRP A 97 -5.924 3.474 -0.368 1.00 0.00 C ATOM 0 H TRP A 97 -3.615 2.552 -7.138 1.00 0.00 H new ATOM 0 HA TRP A 97 -5.545 2.394 -5.158 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.396 3.790 -5.298 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -4.316 4.953 -6.232 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.037 6.910 -4.719 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -5.864 7.214 -2.285 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.793 2.029 -3.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.329 5.550 -0.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.447 1.456 -0.930 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -6.205 3.196 0.637 1.00 0.00 H new ATOM 1651 N GLU A 98 -6.486 4.107 -7.804 1.00 0.00 N ATOM 1652 CA GLU A 98 -7.637 4.672 -8.496 1.00 0.00 C ATOM 1653 C GLU A 98 -8.434 3.571 -9.191 1.00 0.00 C ATOM 1654 O GLU A 98 -9.651 3.673 -9.345 1.00 0.00 O ATOM 1655 CB GLU A 98 -7.185 5.715 -9.518 1.00 0.00 C ATOM 1656 CG GLU A 98 -8.245 6.757 -9.835 1.00 0.00 C ATOM 1657 CD GLU A 98 -8.154 7.266 -11.260 1.00 0.00 C ATOM 1658 OE1 GLU A 98 -7.668 6.513 -12.130 1.00 0.00 O ATOM 1659 OE2 GLU A 98 -8.569 8.418 -11.507 1.00 0.00 O ATOM 0 H GLU A 98 -5.623 4.112 -8.348 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.277 5.157 -7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.294 6.218 -9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.899 5.208 -10.440 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.233 6.327 -9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.142 7.596 -9.146 1.00 0.00 H new ATOM 1666 N ARG A 99 -7.733 2.523 -9.617 1.00 0.00 N ATOM 1667 CA ARG A 99 -8.366 1.401 -10.303 1.00 0.00 C ATOM 1668 C ARG A 99 -9.463 0.774 -9.450 1.00 0.00 C ATOM 1669 O ARG A 99 -10.604 0.635 -9.893 1.00 0.00 O ATOM 1670 CB ARG A 99 -7.322 0.341 -10.660 1.00 0.00 C ATOM 1671 CG ARG A 99 -7.684 -0.481 -11.885 1.00 0.00 C ATOM 1672 CD ARG A 99 -6.518 -1.340 -12.344 1.00 0.00 C ATOM 1673 NE ARG A 99 -6.857 -2.143 -13.517 1.00 0.00 N ATOM 1674 CZ ARG A 99 -6.176 -3.220 -13.900 1.00 0.00 C ATOM 1675 NH1 ARG A 99 -5.121 -3.628 -13.206 1.00 0.00 N ATOM 1676 NH2 ARG A 99 -6.552 -3.893 -14.979 1.00 0.00 N ATOM 0 H ARG A 99 -6.724 2.428 -9.499 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.821 1.786 -11.216 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.363 0.831 -10.832 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.190 -0.328 -9.810 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -8.539 -1.118 -11.657 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.988 0.184 -12.694 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.666 -0.701 -12.576 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -6.210 -1.998 -11.531 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.663 -1.861 -14.075 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -4.828 -3.115 -12.374 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -4.603 -4.454 -13.504 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.363 -3.585 -15.515 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -6.030 -4.719 -15.273 1.00 0.00 H new ATOM 1690 N CYS A 100 -9.111 0.392 -8.228 1.00 0.00 N ATOM 1691 CA CYS A 100 -10.067 -0.227 -7.318 1.00 0.00 C ATOM 1692 C CYS A 100 -11.036 0.806 -6.751 1.00 0.00 C ATOM 1693 O CYS A 100 -12.193 0.879 -7.167 1.00 0.00 O ATOM 1694 CB CYS A 100 -9.330 -0.937 -6.180 1.00 0.00 C ATOM 1695 SG CYS A 100 -8.185 -2.222 -6.733 1.00 0.00 S ATOM 0 H CYS A 100 -8.172 0.500 -7.845 1.00 0.00 H new ATOM 0 HA CYS A 100 -10.644 -0.960 -7.882 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.777 -0.197 -5.602 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -10.064 -1.383 -5.509 1.00 0.00 H new ATOM 0 HG CYS A 100 -7.119 -2.203 -5.989 1.00 0.00 H new ATOM 1701 N GLY A 101 -10.560 1.604 -5.801 1.00 0.00 N ATOM 1702 CA GLY A 101 -11.400 2.621 -5.197 1.00 0.00 C ATOM 1703 C GLY A 101 -10.747 3.280 -3.998 1.00 0.00 C ATOM 1704 O GLY A 101 -11.413 3.581 -3.008 1.00 0.00 O ATOM 0 H GLY A 101 -9.607 1.564 -5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.636 3.382 -5.941 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.345 2.172 -4.890 1.00 0.00 H new ATOM 1708 N GLY A 102 -9.440 3.506 -4.088 1.00 0.00 N ATOM 1709 CA GLY A 102 -8.721 4.136 -2.997 1.00 0.00 C ATOM 1710 C GLY A 102 -9.097 5.592 -2.825 1.00 0.00 C ATOM 1711 O GLY A 102 -9.266 6.069 -1.701 1.00 0.00 O ATOM 0 H GLY A 102 -8.867 3.264 -4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.926 3.598 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.649 4.059 -3.179 1.00 0.00 H new ATOM 1715 N ILE A 103 -9.233 6.300 -3.939 1.00 0.00 N ATOM 1716 CA ILE A 103 -9.596 7.711 -3.909 1.00 0.00 C ATOM 1717 C ILE A 103 -11.002 7.897 -3.351 1.00 0.00 C ATOM 1718 O ILE A 103 -11.240 8.778 -2.526 1.00 0.00 O ATOM 1719 CB ILE A 103 -9.521 8.340 -5.314 1.00 0.00 C ATOM 1720 CG1 ILE A 103 -8.166 8.046 -5.959 1.00 0.00 C ATOM 1721 CG2 ILE A 103 -9.765 9.840 -5.241 1.00 0.00 C ATOM 1722 CD1 ILE A 103 -6.993 8.607 -5.183 1.00 0.00 C ATOM 0 H ILE A 103 -9.097 5.920 -4.876 1.00 0.00 H new ATOM 0 HA ILE A 103 -8.879 8.214 -3.260 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.301 7.896 -5.933 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -8.045 6.967 -6.055 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -8.155 8.459 -6.968 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.708 10.267 -6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.754 10.028 -4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.008 10.301 -4.606 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -6.065 8.361 -5.698 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.090 9.690 -5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -6.978 8.175 -4.183 1.00 0.00 H new ATOM 1734 N GLN A 104 -11.929 7.056 -3.802 1.00 0.00 N ATOM 1735 CA GLN A 104 -13.310 7.125 -3.338 1.00 0.00 C ATOM 1736 C GLN A 104 -13.369 6.957 -1.824 1.00 0.00 C ATOM 1737 O GLN A 104 -14.002 7.747 -1.123 1.00 0.00 O ATOM 1738 CB GLN A 104 -14.154 6.046 -4.019 1.00 0.00 C ATOM 1739 CG GLN A 104 -14.887 6.538 -5.257 1.00 0.00 C ATOM 1740 CD GLN A 104 -14.073 6.368 -6.524 1.00 0.00 C ATOM 1741 OE1 GLN A 104 -14.421 5.574 -7.398 1.00 0.00 O ATOM 1742 NE2 GLN A 104 -12.981 7.115 -6.628 1.00 0.00 N ATOM 0 H GLN A 104 -11.749 6.321 -4.486 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.714 8.103 -3.599 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.508 5.213 -4.296 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.882 5.661 -3.305 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -15.827 5.995 -5.358 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -15.139 7.591 -5.131 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -12.731 7.760 -5.878 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.392 7.044 -7.458 1.00 0.00 H new ATOM 1751 N TYR A 105 -12.691 5.927 -1.327 1.00 0.00 N ATOM 1752 CA TYR A 105 -12.650 5.657 0.103 1.00 0.00 C ATOM 1753 C TYR A 105 -11.985 6.818 0.836 1.00 0.00 C ATOM 1754 O TYR A 105 -12.401 7.199 1.931 1.00 0.00 O ATOM 1755 CB TYR A 105 -11.895 4.349 0.371 1.00 0.00 C ATOM 1756 CG TYR A 105 -11.501 4.140 1.819 1.00 0.00 C ATOM 1757 CD1 TYR A 105 -12.290 4.625 2.856 1.00 0.00 C ATOM 1758 CD2 TYR A 105 -10.338 3.455 2.145 1.00 0.00 C ATOM 1759 CE1 TYR A 105 -11.929 4.432 4.176 1.00 0.00 C ATOM 1760 CE2 TYR A 105 -9.970 3.258 3.462 1.00 0.00 C ATOM 1761 CZ TYR A 105 -10.769 3.748 4.474 1.00 0.00 C ATOM 1762 OH TYR A 105 -10.406 3.555 5.785 1.00 0.00 O ATOM 0 H TYR A 105 -12.162 5.266 -1.896 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.670 5.551 0.474 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -12.517 3.513 0.052 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.995 4.330 -0.244 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -13.199 5.161 2.626 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.710 3.070 1.355 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -12.552 4.815 4.970 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.062 2.723 3.698 1.00 0.00 H new ATOM 0 HH TYR A 105 -10.459 2.601 6.002 1.00 0.00 H new ATOM 1772 N LEU A 106 -10.955 7.386 0.215 1.00 0.00 N ATOM 1773 CA LEU A 106 -10.237 8.511 0.797 1.00 0.00 C ATOM 1774 C LEU A 106 -11.117 9.757 0.807 1.00 0.00 C ATOM 1775 O LEU A 106 -11.064 10.558 1.738 1.00 0.00 O ATOM 1776 CB LEU A 106 -8.945 8.779 0.021 1.00 0.00 C ATOM 1777 CG LEU A 106 -7.662 8.631 0.839 1.00 0.00 C ATOM 1778 CD1 LEU A 106 -6.558 8.010 0.000 1.00 0.00 C ATOM 1779 CD2 LEU A 106 -7.225 9.978 1.394 1.00 0.00 C ATOM 0 H LEU A 106 -10.600 7.084 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.979 8.260 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.899 8.096 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.985 9.790 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.865 7.965 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.654 7.914 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.872 7.024 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.354 8.646 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.310 9.853 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.042 10.669 0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.009 10.379 2.036 1.00 0.00 H new ATOM 1791 N GLN A 107 -11.934 9.905 -0.231 1.00 0.00 N ATOM 1792 CA GLN A 107 -12.836 11.045 -0.338 1.00 0.00 C ATOM 1793 C GLN A 107 -13.889 10.992 0.764 1.00 0.00 C ATOM 1794 O GLN A 107 -14.331 12.024 1.269 1.00 0.00 O ATOM 1795 CB GLN A 107 -13.513 11.061 -1.712 1.00 0.00 C ATOM 1796 CG GLN A 107 -12.955 12.115 -2.654 1.00 0.00 C ATOM 1797 CD GLN A 107 -13.987 13.154 -3.047 1.00 0.00 C ATOM 1798 OE1 GLN A 107 -14.102 13.521 -4.216 1.00 0.00 O ATOM 1799 NE2 GLN A 107 -14.747 13.634 -2.068 1.00 0.00 N ATOM 0 H GLN A 107 -11.990 9.249 -1.010 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.254 11.959 -0.223 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.403 10.079 -2.173 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.581 11.233 -1.579 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -12.109 12.611 -2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.575 11.629 -3.552 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.618 13.302 -1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.459 14.335 -2.272 1.00 0.00 H new ATOM 1808 N SER A 108 -14.277 9.776 1.135 1.00 0.00 N ATOM 1809 CA SER A 108 -15.271 9.573 2.182 1.00 0.00 C ATOM 1810 C SER A 108 -14.704 9.981 3.535 1.00 0.00 C ATOM 1811 O SER A 108 -15.321 10.747 4.275 1.00 0.00 O ATOM 1812 CB SER A 108 -15.715 8.108 2.219 1.00 0.00 C ATOM 1813 OG SER A 108 -16.794 7.880 1.331 1.00 0.00 O ATOM 0 H SER A 108 -13.917 8.914 0.725 1.00 0.00 H new ATOM 0 HA SER A 108 -16.138 10.196 1.961 1.00 0.00 H new ATOM 0 HB2 SER A 108 -14.877 7.464 1.951 1.00 0.00 H new ATOM 0 HB3 SER A 108 -16.012 7.840 3.233 1.00 0.00 H new ATOM 0 HG SER A 108 -17.058 6.937 1.372 1.00 0.00 H new ATOM 1819 N ALA A 109 -13.513 9.477 3.846 1.00 0.00 N ATOM 1820 CA ALA A 109 -12.851 9.806 5.101 1.00 0.00 C ATOM 1821 C ALA A 109 -12.417 11.263 5.087 1.00 0.00 C ATOM 1822 O ALA A 109 -12.447 11.952 6.109 1.00 0.00 O ATOM 1823 CB ALA A 109 -11.648 8.896 5.320 1.00 0.00 C ATOM 0 H ALA A 109 -12.989 8.840 3.246 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.551 9.653 5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.163 9.154 6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.979 7.858 5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.941 9.025 4.501 1.00 0.00 H new ATOM 1829 N ILE A 110 -12.028 11.725 3.904 1.00 0.00 N ATOM 1830 CA ILE A 110 -11.595 13.098 3.713 1.00 0.00 C ATOM 1831 C ILE A 110 -12.687 14.073 4.154 1.00 0.00 C ATOM 1832 O ILE A 110 -12.421 15.033 4.877 1.00 0.00 O ATOM 1833 CB ILE A 110 -11.220 13.341 2.231 1.00 0.00 C ATOM 1834 CG1 ILE A 110 -9.733 13.064 2.016 1.00 0.00 C ATOM 1835 CG2 ILE A 110 -11.569 14.753 1.786 1.00 0.00 C ATOM 1836 CD1 ILE A 110 -9.286 13.227 0.580 1.00 0.00 C ATOM 0 H ILE A 110 -12.005 11.159 3.056 1.00 0.00 H new ATOM 0 HA ILE A 110 -10.712 13.271 4.329 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.805 12.653 1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.152 13.737 2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.510 12.048 2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -11.291 14.884 0.740 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.641 14.916 1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -11.026 15.472 2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.220 13.014 0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.840 12.535 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.476 14.250 0.254 1.00 0.00 H new ATOM 1848 N GLU A 111 -13.914 13.814 3.717 1.00 0.00 N ATOM 1849 CA GLU A 111 -15.046 14.661 4.071 1.00 0.00 C ATOM 1850 C GLU A 111 -15.426 14.463 5.534 1.00 0.00 C ATOM 1851 O GLU A 111 -15.869 15.395 6.206 1.00 0.00 O ATOM 1852 CB GLU A 111 -16.245 14.349 3.172 1.00 0.00 C ATOM 1853 CG GLU A 111 -15.930 14.442 1.687 1.00 0.00 C ATOM 1854 CD GLU A 111 -16.502 15.691 1.046 1.00 0.00 C ATOM 1855 OE1 GLU A 111 -17.739 15.865 1.086 1.00 0.00 O ATOM 1856 OE2 GLU A 111 -15.714 16.495 0.504 1.00 0.00 O ATOM 0 H GLU A 111 -14.150 13.024 3.117 1.00 0.00 H new ATOM 0 HA GLU A 111 -14.755 15.701 3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -16.606 13.345 3.397 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -17.055 15.039 3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.849 14.429 1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -16.328 13.563 1.179 1.00 0.00 H new ATOM 1863 N SER A 112 -15.245 13.239 6.023 1.00 0.00 N ATOM 1864 CA SER A 112 -15.563 12.911 7.409 1.00 0.00 C ATOM 1865 C SER A 112 -14.480 13.418 8.360 1.00 0.00 C ATOM 1866 O SER A 112 -14.648 13.378 9.579 1.00 0.00 O ATOM 1867 CB SER A 112 -15.728 11.399 7.569 1.00 0.00 C ATOM 1868 OG SER A 112 -16.306 11.080 8.823 1.00 0.00 O ATOM 0 H SER A 112 -14.879 12.457 5.479 1.00 0.00 H new ATOM 0 HA SER A 112 -16.500 13.406 7.664 1.00 0.00 H new ATOM 0 HB2 SER A 112 -16.355 11.011 6.766 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.757 10.912 7.478 1.00 0.00 H new ATOM 0 HG SER A 112 -16.105 11.792 9.466 1.00 0.00 H new ATOM 1874 N ARG A 113 -13.367 13.891 7.798 1.00 0.00 N ATOM 1875 CA ARG A 113 -12.255 14.403 8.596 1.00 0.00 C ATOM 1876 C ARG A 113 -11.566 13.280 9.361 1.00 0.00 C ATOM 1877 O ARG A 113 -10.967 13.506 10.413 1.00 0.00 O ATOM 1878 CB ARG A 113 -12.737 15.483 9.570 1.00 0.00 C ATOM 1879 CG ARG A 113 -13.365 16.685 8.885 1.00 0.00 C ATOM 1880 CD ARG A 113 -12.309 17.680 8.430 1.00 0.00 C ATOM 1881 NE ARG A 113 -12.902 18.881 7.847 1.00 0.00 N ATOM 1882 CZ ARG A 113 -13.363 18.949 6.599 1.00 0.00 C ATOM 1883 NH1 ARG A 113 -13.305 17.889 5.803 1.00 0.00 N ATOM 1884 NH2 ARG A 113 -13.883 20.082 6.147 1.00 0.00 N ATOM 0 H ARG A 113 -13.213 13.930 6.791 1.00 0.00 H new ATOM 0 HA ARG A 113 -11.533 14.846 7.910 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -13.464 15.045 10.254 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.893 15.819 10.173 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.948 16.353 8.026 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -14.057 17.175 9.570 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -11.685 17.960 9.279 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.656 17.206 7.697 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.967 19.716 8.429 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -12.906 17.015 6.146 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -13.660 17.948 4.849 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -13.930 20.900 6.755 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -14.236 20.136 5.192 1.00 0.00 H new ATOM 1898 N GLN A 114 -11.649 12.066 8.824 1.00 0.00 N ATOM 1899 CA GLN A 114 -11.028 10.907 9.454 1.00 0.00 C ATOM 1900 C GLN A 114 -9.818 10.437 8.650 1.00 0.00 C ATOM 1901 O GLN A 114 -8.934 9.764 9.180 1.00 0.00 O ATOM 1902 CB GLN A 114 -12.040 9.767 9.584 1.00 0.00 C ATOM 1903 CG GLN A 114 -12.845 9.813 10.874 1.00 0.00 C ATOM 1904 CD GLN A 114 -12.225 8.979 11.977 1.00 0.00 C ATOM 1905 OE1 GLN A 114 -11.592 9.510 12.891 1.00 0.00 O ATOM 1906 NE2 GLN A 114 -12.401 7.665 11.899 1.00 0.00 N ATOM 0 H GLN A 114 -12.140 11.860 7.954 1.00 0.00 H new ATOM 0 HA GLN A 114 -10.692 11.201 10.449 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -12.725 9.801 8.737 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -11.512 8.815 9.529 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -12.929 10.847 11.209 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -13.857 9.457 10.680 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -12.932 7.267 11.125 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -12.005 7.054 12.613 1.00 0.00 H new ATOM 1915 N ALA A 115 -9.784 10.797 7.370 1.00 0.00 N ATOM 1916 CA ALA A 115 -8.682 10.413 6.495 1.00 0.00 C ATOM 1917 C ALA A 115 -7.340 10.888 7.049 1.00 0.00 C ATOM 1918 O ALA A 115 -6.291 10.338 6.712 1.00 0.00 O ATOM 1919 CB ALA A 115 -8.903 10.971 5.097 1.00 0.00 C ATOM 0 H ALA A 115 -10.508 11.354 6.916 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.656 9.324 6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.074 10.678 4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.835 10.577 4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -8.959 12.059 5.144 1.00 0.00 H new ATOM 1925 N ARG A 116 -7.378 11.911 7.899 1.00 0.00 N ATOM 1926 CA ARG A 116 -6.163 12.458 8.499 1.00 0.00 C ATOM 1927 C ARG A 116 -5.305 13.157 7.447 1.00 0.00 C ATOM 1928 O ARG A 116 -4.351 12.578 6.927 1.00 0.00 O ATOM 1929 CB ARG A 116 -5.358 11.348 9.179 1.00 0.00 C ATOM 1930 CG ARG A 116 -4.263 11.862 10.100 1.00 0.00 C ATOM 1931 CD ARG A 116 -3.741 10.763 11.013 1.00 0.00 C ATOM 1932 NE ARG A 116 -2.284 10.664 10.973 1.00 0.00 N ATOM 1933 CZ ARG A 116 -1.602 9.579 11.334 1.00 0.00 C ATOM 1934 NH1 ARG A 116 -2.240 8.496 11.764 1.00 0.00 N ATOM 1935 NH2 ARG A 116 -0.277 9.577 11.268 1.00 0.00 N ATOM 0 H ARG A 116 -8.237 12.378 8.188 1.00 0.00 H new ATOM 0 HA ARG A 116 -6.456 13.193 9.249 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -6.038 10.719 9.753 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -4.909 10.716 8.413 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -3.443 12.261 9.504 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -4.649 12.684 10.703 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -4.063 10.958 12.036 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -4.177 9.809 10.718 1.00 0.00 H new ATOM 0 HE ARG A 116 -1.757 11.475 10.649 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -3.259 8.492 11.819 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -1.711 7.668 12.039 1.00 0.00 H new ATOM 0 HH21 ARG A 116 0.219 10.406 10.941 1.00 0.00 H new ATOM 0 HH22 ARG A 116 0.246 8.746 11.544 1.00 0.00 H new ATOM 1949 N PRO A 117 -5.637 14.418 7.118 1.00 0.00 N ATOM 1950 CA PRO A 117 -4.894 15.198 6.122 1.00 0.00 C ATOM 1951 C PRO A 117 -3.394 15.219 6.398 1.00 0.00 C ATOM 1952 O PRO A 117 -2.890 16.100 7.092 1.00 0.00 O ATOM 1953 CB PRO A 117 -5.485 16.601 6.257 1.00 0.00 C ATOM 1954 CG PRO A 117 -6.860 16.378 6.784 1.00 0.00 C ATOM 1955 CD PRO A 117 -6.761 15.183 7.689 1.00 0.00 C ATOM 0 HA PRO A 117 -4.989 14.776 5.122 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.895 17.217 6.936 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.507 17.116 5.297 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -7.217 17.252 7.328 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -7.565 16.197 5.973 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -6.566 15.475 8.721 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.683 14.602 7.691 1.00 0.00 H new ATOM 1963 N THR A 118 -2.687 14.237 5.845 1.00 0.00 N ATOM 1964 CA THR A 118 -1.243 14.136 6.028 1.00 0.00 C ATOM 1965 C THR A 118 -0.515 14.256 4.691 1.00 0.00 C ATOM 1966 O THR A 118 0.563 14.845 4.613 1.00 0.00 O ATOM 1967 CB THR A 118 -0.883 12.809 6.695 1.00 0.00 C ATOM 1968 OG1 THR A 118 -1.354 11.716 5.927 1.00 0.00 O ATOM 1969 CG2 THR A 118 -1.451 12.668 8.091 1.00 0.00 C ATOM 0 H THR A 118 -3.091 13.500 5.267 1.00 0.00 H new ATOM 0 HA THR A 118 -0.927 14.957 6.671 1.00 0.00 H new ATOM 0 HB THR A 118 0.205 12.805 6.760 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.112 10.876 6.370 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.158 11.704 8.507 1.00 0.00 H new ATOM 0 HG22 THR A 118 -1.066 13.468 8.723 1.00 0.00 H new ATOM 0 HG23 THR A 118 -2.538 12.730 8.049 1.00 0.00 H new ATOM 1977 N TYR A 119 -1.111 13.697 3.643 1.00 0.00 N ATOM 1978 CA TYR A 119 -0.516 13.745 2.311 1.00 0.00 C ATOM 1979 C TYR A 119 -1.439 13.112 1.273 1.00 0.00 C ATOM 1980 O TYR A 119 -1.701 13.698 0.224 1.00 0.00 O ATOM 1981 CB TYR A 119 0.839 13.034 2.303 1.00 0.00 C ATOM 1982 CG TYR A 119 1.547 13.095 0.967 1.00 0.00 C ATOM 1983 CD1 TYR A 119 1.094 12.350 -0.115 1.00 0.00 C ATOM 1984 CD2 TYR A 119 2.664 13.900 0.788 1.00 0.00 C ATOM 1985 CE1 TYR A 119 1.735 12.406 -1.338 1.00 0.00 C ATOM 1986 CE2 TYR A 119 3.312 13.960 -0.433 1.00 0.00 C ATOM 1987 CZ TYR A 119 2.843 13.212 -1.491 1.00 0.00 C ATOM 1988 OH TYR A 119 3.484 13.270 -2.707 1.00 0.00 O ATOM 0 H TYR A 119 -2.004 13.206 3.689 1.00 0.00 H new ATOM 0 HA TYR A 119 -0.370 14.793 2.050 1.00 0.00 H new ATOM 0 HB2 TYR A 119 1.479 13.480 3.064 1.00 0.00 H new ATOM 0 HB3 TYR A 119 0.694 11.990 2.581 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.227 11.717 0.002 1.00 0.00 H new ATOM 0 HD2 TYR A 119 3.033 14.489 1.615 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.370 11.821 -2.170 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.181 14.590 -0.556 1.00 0.00 H new ATOM 0 HH TYR A 119 4.245 13.885 -2.647 1.00 0.00 H new ATOM 1998 N ALA A 120 -1.927 11.911 1.571 1.00 0.00 N ATOM 1999 CA ALA A 120 -2.817 11.201 0.657 1.00 0.00 C ATOM 2000 C ALA A 120 -4.028 12.053 0.293 1.00 0.00 C ATOM 2001 O ALA A 120 -4.331 12.244 -0.885 1.00 0.00 O ATOM 2002 CB ALA A 120 -3.262 9.882 1.269 1.00 0.00 C ATOM 0 H ALA A 120 -1.722 11.410 2.436 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.263 10.995 -0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.925 9.364 0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.389 9.261 1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.791 10.074 2.202 1.00 0.00 H new ATOM 2008 N THR A 121 -4.714 12.568 1.309 1.00 0.00 N ATOM 2009 CA THR A 121 -5.889 13.403 1.087 1.00 0.00 C ATOM 2010 C THR A 121 -5.525 14.635 0.268 1.00 0.00 C ATOM 2011 O THR A 121 -6.224 14.985 -0.679 1.00 0.00 O ATOM 2012 CB THR A 121 -6.504 13.824 2.418 1.00 0.00 C ATOM 2013 OG1 THR A 121 -5.606 14.638 3.146 1.00 0.00 O ATOM 2014 CG2 THR A 121 -6.886 12.650 3.295 1.00 0.00 C ATOM 0 H THR A 121 -4.477 12.422 2.290 1.00 0.00 H new ATOM 0 HA THR A 121 -6.621 12.818 0.531 1.00 0.00 H new ATOM 0 HB THR A 121 -7.411 14.372 2.163 1.00 0.00 H new ATOM 0 HG1 THR A 121 -6.068 15.450 3.443 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.317 13.017 4.226 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.617 12.031 2.776 1.00 0.00 H new ATOM 0 HG23 THR A 121 -5.999 12.056 3.515 1.00 0.00 H new ATOM 2022 N ALA A 122 -4.417 15.281 0.629 1.00 0.00 N ATOM 2023 CA ALA A 122 -3.959 16.461 -0.092 1.00 0.00 C ATOM 2024 C ALA A 122 -3.811 16.131 -1.572 1.00 0.00 C ATOM 2025 O ALA A 122 -4.416 16.768 -2.443 1.00 0.00 O ATOM 2026 CB ALA A 122 -2.637 16.952 0.477 1.00 0.00 C ATOM 0 H ALA A 122 -3.825 15.007 1.413 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.696 17.256 0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.309 17.834 -0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.766 17.208 1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.887 16.167 0.384 1.00 0.00 H new ATOM 2032 N MET A 123 -3.020 15.100 -1.844 1.00 0.00 N ATOM 2033 CA MET A 123 -2.802 14.640 -3.204 1.00 0.00 C ATOM 2034 C MET A 123 -4.132 14.278 -3.844 1.00 0.00 C ATOM 2035 O MET A 123 -4.328 14.461 -5.044 1.00 0.00 O ATOM 2036 CB MET A 123 -1.849 13.440 -3.208 1.00 0.00 C ATOM 2037 CG MET A 123 -1.373 13.043 -4.595 1.00 0.00 C ATOM 2038 SD MET A 123 -1.917 11.392 -5.070 1.00 0.00 S ATOM 2039 CE MET A 123 -3.654 11.495 -4.655 1.00 0.00 C ATOM 0 H MET A 123 -2.518 14.566 -1.134 1.00 0.00 H new ATOM 0 HA MET A 123 -2.344 15.440 -3.786 1.00 0.00 H new ATOM 0 HB2 MET A 123 -0.983 13.673 -2.589 1.00 0.00 H new ATOM 0 HB3 MET A 123 -2.350 12.588 -2.748 1.00 0.00 H new ATOM 0 HG2 MET A 123 -1.742 13.766 -5.322 1.00 0.00 H new ATOM 0 HG3 MET A 123 -0.284 13.086 -4.627 1.00 0.00 H new ATOM 0 HE1 MET A 123 -4.158 10.582 -4.971 1.00 0.00 H new ATOM 0 HE2 MET A 123 -3.764 11.616 -3.577 1.00 0.00 H new ATOM 0 HE3 MET A 123 -4.100 12.350 -5.164 1.00 0.00 H new ATOM 2049 N LEU A 124 -5.055 13.785 -3.023 1.00 0.00 N ATOM 2050 CA LEU A 124 -6.382 13.422 -3.496 1.00 0.00 C ATOM 2051 C LEU A 124 -7.149 14.670 -3.909 1.00 0.00 C ATOM 2052 O LEU A 124 -7.829 14.691 -4.938 1.00 0.00 O ATOM 2053 CB LEU A 124 -7.148 12.674 -2.400 1.00 0.00 C ATOM 2054 CG LEU A 124 -7.779 11.351 -2.838 1.00 0.00 C ATOM 2055 CD1 LEU A 124 -6.991 10.175 -2.283 1.00 0.00 C ATOM 2056 CD2 LEU A 124 -9.232 11.276 -2.391 1.00 0.00 C ATOM 0 H LEU A 124 -4.905 13.629 -2.026 1.00 0.00 H new ATOM 0 HA LEU A 124 -6.279 12.768 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.467 12.478 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.934 13.325 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 124 -7.751 11.302 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.454 9.242 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -5.966 10.217 -2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.987 10.221 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.663 10.328 -2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.283 11.348 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.792 12.098 -2.836 1.00 0.00 H new ATOM 2068 N GLN A 125 -7.023 15.719 -3.098 1.00 0.00 N ATOM 2069 CA GLN A 125 -7.694 16.984 -3.371 1.00 0.00 C ATOM 2070 C GLN A 125 -7.379 17.455 -4.780 1.00 0.00 C ATOM 2071 O GLN A 125 -8.270 17.884 -5.514 1.00 0.00 O ATOM 2072 CB GLN A 125 -7.274 18.047 -2.353 1.00 0.00 C ATOM 2073 CG GLN A 125 -7.881 17.848 -0.975 1.00 0.00 C ATOM 2074 CD GLN A 125 -9.396 17.928 -0.989 1.00 0.00 C ATOM 2075 OE1 GLN A 125 -9.971 18.967 -1.315 1.00 0.00 O ATOM 2076 NE2 GLN A 125 -10.051 16.830 -0.636 1.00 0.00 N ATOM 0 H GLN A 125 -6.462 15.716 -2.246 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.769 16.828 -3.285 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.188 18.044 -2.265 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.561 19.029 -2.728 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.575 16.878 -0.584 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -7.487 18.604 -0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -9.535 15.991 -0.373 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -11.071 16.825 -0.628 1.00 0.00 H new ATOM 2085 N ASN A 126 -6.109 17.364 -5.160 1.00 0.00 N ATOM 2086 CA ASN A 126 -5.700 17.778 -6.497 1.00 0.00 C ATOM 2087 C ASN A 126 -5.994 16.681 -7.513 1.00 0.00 C ATOM 2088 O ASN A 126 -6.232 16.960 -8.688 1.00 0.00 O ATOM 2089 CB ASN A 126 -4.218 18.158 -6.530 1.00 0.00 C ATOM 2090 CG ASN A 126 -3.326 17.076 -5.962 1.00 0.00 C ATOM 2091 OD1 ASN A 126 -2.795 17.208 -4.862 1.00 0.00 O ATOM 2092 ND2 ASN A 126 -3.154 15.996 -6.718 1.00 0.00 N ATOM 0 H ASN A 126 -5.354 17.012 -4.571 1.00 0.00 H new ATOM 0 HA ASN A 126 -6.279 18.662 -6.764 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -3.923 18.364 -7.559 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -4.070 19.079 -5.965 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -2.561 15.234 -6.391 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -3.615 15.930 -7.625 1.00 0.00 H new ATOM 2099 N LEU A 127 -5.998 15.433 -7.053 1.00 0.00 N ATOM 2100 CA LEU A 127 -6.289 14.305 -7.929 1.00 0.00 C ATOM 2101 C LEU A 127 -7.726 14.384 -8.436 1.00 0.00 C ATOM 2102 O LEU A 127 -8.078 13.758 -9.436 1.00 0.00 O ATOM 2103 CB LEU A 127 -6.076 12.982 -7.191 1.00 0.00 C ATOM 2104 CG LEU A 127 -5.506 11.847 -8.042 1.00 0.00 C ATOM 2105 CD1 LEU A 127 -3.987 11.896 -8.050 1.00 0.00 C ATOM 2106 CD2 LEU A 127 -5.996 10.501 -7.528 1.00 0.00 C ATOM 0 H LEU A 127 -5.804 15.179 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.607 14.349 -8.778 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.404 13.157 -6.351 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.030 12.659 -6.775 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.857 11.973 -9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.600 11.080 -8.661 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.656 12.848 -8.464 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.614 11.794 -7.031 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.581 9.703 -8.144 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.674 10.367 -6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.084 10.468 -7.575 1.00 0.00 H new ATOM 2118 N LEU A 128 -8.554 15.158 -7.735 1.00 0.00 N ATOM 2119 CA LEU A 128 -9.952 15.320 -8.113 1.00 0.00 C ATOM 2120 C LEU A 128 -10.091 16.195 -9.357 1.00 0.00 C ATOM 2121 O LEU A 128 -11.115 16.159 -10.040 1.00 0.00 O ATOM 2122 CB LEU A 128 -10.749 15.927 -6.956 1.00 0.00 C ATOM 2123 CG LEU A 128 -10.877 15.032 -5.721 1.00 0.00 C ATOM 2124 CD1 LEU A 128 -11.114 15.873 -4.476 1.00 0.00 C ATOM 2125 CD2 LEU A 128 -12.002 14.024 -5.907 1.00 0.00 C ATOM 0 H LEU A 128 -8.279 15.681 -6.904 1.00 0.00 H new ATOM 0 HA LEU A 128 -10.352 14.333 -8.344 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -10.276 16.864 -6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -11.749 16.174 -7.313 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.943 14.485 -5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -11.203 15.220 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -10.276 16.556 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -12.033 16.447 -4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -12.078 13.396 -5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -12.943 14.553 -6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -11.792 13.400 -6.776 1.00 0.00 H new