USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 619 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 HIS : no HD1:sc= -1.95 K(o=-1.9,f=-4.4!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= -0.104 (180deg=-0.685) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.4) USER MOD Single : A 37 HIS : no HD1:sc= -0.807 X(o=-0.81,f=-0.56) USER MOD Single : A 41 ASN : amide:sc= -0.698 K(o=-0.7,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 45 HIS : no HD1:sc= -5.68! C(o=-5.7!,f=-8.6!) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.92!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot -55:sc= 1.17 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.964 X(o=-0.96,f=-0.47) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0124) USER MOD Single : A 88 MET CE :methyl 157:sc= -0.386 (180deg=-1.27) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= -0.0799 X(o=-0.08,f=-0.12) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -55:sc= 1.08 USER MOD Single : A 100 ASN : amide:sc= -1.95 K(o=-1.9,f=-3.4) USER MOD Single : A 101 ASN : amide:sc= -0.96! X(o=-0.96!,f=-0.64) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 108 N HIS A 20 12.722 -1.514 -9.184 1.00 0.00 N ATOM 109 CA HIS A 20 12.834 -0.901 -7.852 1.00 0.00 C ATOM 110 C HIS A 20 11.483 -0.299 -7.429 1.00 0.00 C ATOM 111 O HIS A 20 11.353 0.909 -7.233 1.00 0.00 O ATOM 112 CB HIS A 20 13.934 0.195 -7.897 1.00 0.00 C ATOM 113 CG HIS A 20 13.627 1.194 -8.994 1.00 0.00 C ATOM 114 ND1 HIS A 20 12.425 1.185 -9.695 1.00 0.00 N ATOM 115 CD2 HIS A 20 14.352 2.230 -9.521 1.00 0.00 C ATOM 116 CE1 HIS A 20 12.465 2.183 -10.589 1.00 0.00 C ATOM 117 NE2 HIS A 20 13.618 2.853 -10.528 1.00 0.00 N ATOM 0 HA HIS A 20 13.108 -1.658 -7.117 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.990 0.705 -6.935 1.00 0.00 H new ATOM 0 HB3 HIS A 20 14.908 -0.263 -8.073 1.00 0.00 H new ATOM 0 HD2 HIS A 20 15.343 2.520 -9.204 1.00 0.00 H new ATOM 0 HE1 HIS A 20 11.663 2.416 -11.274 1.00 0.00 H new ATOM 0 HE2 HIS A 20 13.901 3.651 -11.097 1.00 0.00 H new ATOM 125 N MET A 21 10.486 -1.160 -7.262 1.00 0.00 N ATOM 126 CA MET A 21 9.139 -0.739 -6.834 1.00 0.00 C ATOM 127 C MET A 21 9.227 -0.106 -5.435 1.00 0.00 C ATOM 128 O MET A 21 8.491 0.828 -5.113 1.00 0.00 O ATOM 129 CB MET A 21 8.164 -1.971 -6.815 1.00 0.00 C ATOM 130 CG MET A 21 8.893 -3.265 -6.293 1.00 0.00 C ATOM 131 SD MET A 21 9.751 -4.112 -7.664 1.00 0.00 S ATOM 132 CE MET A 21 10.681 -5.306 -6.675 1.00 0.00 C ATOM 0 H MET A 21 10.578 -2.164 -7.416 1.00 0.00 H new ATOM 0 HA MET A 21 8.748 -0.005 -7.539 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.308 -1.751 -6.178 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.777 -2.148 -7.819 1.00 0.00 H new ATOM 0 HG2 MET A 21 9.610 -2.998 -5.517 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.168 -3.940 -5.838 1.00 0.00 H new ATOM 0 HE1 MET A 21 11.282 -5.933 -7.333 1.00 0.00 H new ATOM 0 HE2 MET A 21 11.335 -4.775 -5.983 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.988 -5.931 -6.112 1.00 0.00 H new ATOM 142 N ALA A 22 10.126 -0.640 -4.594 1.00 0.00 N ATOM 143 CA ALA A 22 10.298 -0.135 -3.222 1.00 0.00 C ATOM 144 C ALA A 22 10.508 1.386 -3.227 1.00 0.00 C ATOM 145 O ALA A 22 10.053 2.088 -2.324 1.00 0.00 O ATOM 146 CB ALA A 22 11.505 -0.834 -2.554 1.00 0.00 C ATOM 0 H ALA A 22 10.742 -1.416 -4.837 1.00 0.00 H new ATOM 0 HA ALA A 22 9.394 -0.356 -2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.628 -0.457 -1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.331 -1.910 -2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.408 -0.629 -3.129 1.00 0.00 H new ATOM 152 N SER A 23 11.188 1.880 -4.273 1.00 0.00 N ATOM 153 CA SER A 23 11.447 3.318 -4.422 1.00 0.00 C ATOM 154 C SER A 23 10.134 4.090 -4.577 1.00 0.00 C ATOM 155 O SER A 23 9.977 5.180 -4.034 1.00 0.00 O ATOM 156 CB SER A 23 12.339 3.561 -5.655 1.00 0.00 C ATOM 157 OG SER A 23 12.625 4.948 -5.756 1.00 0.00 O ATOM 0 H SER A 23 11.567 1.305 -5.026 1.00 0.00 H new ATOM 0 HA SER A 23 11.957 3.673 -3.526 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.264 2.992 -5.568 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.836 3.214 -6.557 1.00 0.00 H new ATOM 0 HG SER A 23 13.194 5.109 -6.538 1.00 0.00 H new ATOM 163 N LYS A 24 9.195 3.510 -5.341 1.00 0.00 N ATOM 164 CA LYS A 24 7.887 4.139 -5.602 1.00 0.00 C ATOM 165 C LYS A 24 7.113 4.306 -4.305 1.00 0.00 C ATOM 166 O LYS A 24 6.493 5.347 -4.063 1.00 0.00 O ATOM 167 CB LYS A 24 7.066 3.254 -6.594 1.00 0.00 C ATOM 168 CG LYS A 24 7.838 3.028 -7.935 1.00 0.00 C ATOM 169 CD LYS A 24 7.870 4.323 -8.803 1.00 0.00 C ATOM 170 CE LYS A 24 8.649 4.071 -10.108 1.00 0.00 C ATOM 171 NZ LYS A 24 7.987 2.974 -10.855 1.00 0.00 N ATOM 0 H LYS A 24 9.317 2.603 -5.791 1.00 0.00 H new ATOM 0 HA LYS A 24 8.052 5.122 -6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.850 2.291 -6.131 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.108 3.731 -6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.858 2.708 -7.719 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.364 2.224 -8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.853 4.640 -9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.337 5.133 -8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.675 4.977 -10.713 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.683 3.806 -9.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.297 2.993 -11.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.243 2.060 -10.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.955 3.098 -10.813 1.00 0.00 H new ATOM 185 N ARG A 25 7.147 3.271 -3.470 1.00 0.00 N ATOM 186 CA ARG A 25 6.442 3.310 -2.191 1.00 0.00 C ATOM 187 C ARG A 25 7.037 4.405 -1.294 1.00 0.00 C ATOM 188 O ARG A 25 6.307 5.162 -0.649 1.00 0.00 O ATOM 189 CB ARG A 25 6.553 1.930 -1.505 1.00 0.00 C ATOM 190 CG ARG A 25 5.715 1.900 -0.191 1.00 0.00 C ATOM 191 CD ARG A 25 5.792 0.517 0.463 1.00 0.00 C ATOM 192 NE ARG A 25 4.972 0.515 1.678 1.00 0.00 N ATOM 193 CZ ARG A 25 4.895 -0.554 2.476 1.00 0.00 C ATOM 194 NH1 ARG A 25 5.581 -1.631 2.190 1.00 0.00 N ATOM 195 NH2 ARG A 25 4.140 -0.521 3.537 1.00 0.00 N ATOM 0 H ARG A 25 7.650 2.403 -3.653 1.00 0.00 H new ATOM 0 HA ARG A 25 5.390 3.541 -2.361 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.203 1.152 -2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.597 1.712 -1.281 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.085 2.657 0.501 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.676 2.148 -0.409 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.439 -0.247 -0.230 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.826 0.273 0.707 1.00 0.00 H new ATOM 0 HE ARG A 25 4.445 1.354 1.921 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.173 -1.653 1.360 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.524 -2.448 2.798 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.608 0.321 3.758 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.081 -1.337 4.146 1.00 0.00 H new ATOM 209 N ASP A 26 8.373 4.456 -1.256 1.00 0.00 N ATOM 210 CA ASP A 26 9.087 5.438 -0.434 1.00 0.00 C ATOM 211 C ASP A 26 8.850 6.839 -0.974 1.00 0.00 C ATOM 212 O ASP A 26 8.841 7.807 -0.219 1.00 0.00 O ATOM 213 CB ASP A 26 10.602 5.126 -0.434 1.00 0.00 C ATOM 214 CG ASP A 26 10.858 3.752 0.194 1.00 0.00 C ATOM 215 OD1 ASP A 26 10.223 3.455 1.195 1.00 0.00 O ATOM 216 OD2 ASP A 26 11.686 3.025 -0.327 1.00 0.00 O ATOM 0 H ASP A 26 8.980 3.830 -1.784 1.00 0.00 H new ATOM 0 HA ASP A 26 8.712 5.382 0.588 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.985 5.145 -1.454 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.139 5.894 0.122 1.00 0.00 H new ATOM 221 N LYS A 27 8.679 6.939 -2.298 1.00 0.00 N ATOM 222 CA LYS A 27 8.471 8.236 -2.947 1.00 0.00 C ATOM 223 C LYS A 27 7.225 8.930 -2.375 1.00 0.00 C ATOM 224 O LYS A 27 7.286 10.079 -1.961 1.00 0.00 O ATOM 225 CB LYS A 27 8.297 8.025 -4.476 1.00 0.00 C ATOM 226 CG LYS A 27 8.362 9.380 -5.240 1.00 0.00 C ATOM 227 CD LYS A 27 8.253 9.168 -6.782 1.00 0.00 C ATOM 228 CE LYS A 27 6.858 8.621 -7.205 1.00 0.00 C ATOM 229 NZ LYS A 27 6.709 8.783 -8.677 1.00 0.00 N ATOM 0 H LYS A 27 8.681 6.143 -2.935 1.00 0.00 H new ATOM 0 HA LYS A 27 9.339 8.869 -2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.076 7.358 -4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.342 7.539 -4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.554 10.029 -4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.298 9.887 -5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.440 10.114 -7.291 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.027 8.473 -7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.764 7.571 -6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.067 9.160 -6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.780 8.421 -8.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.783 9.790 -8.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.459 8.251 -9.163 1.00 0.00 H new ATOM 243 N ILE A 28 6.097 8.207 -2.350 1.00 0.00 N ATOM 244 CA ILE A 28 4.839 8.766 -1.820 1.00 0.00 C ATOM 245 C ILE A 28 4.985 9.084 -0.331 1.00 0.00 C ATOM 246 O ILE A 28 4.590 10.157 0.123 1.00 0.00 O ATOM 247 CB ILE A 28 3.671 7.753 -2.046 1.00 0.00 C ATOM 248 CG1 ILE A 28 3.596 7.343 -3.561 1.00 0.00 C ATOM 249 CG2 ILE A 28 2.305 8.352 -1.568 1.00 0.00 C ATOM 250 CD1 ILE A 28 3.365 8.540 -4.518 1.00 0.00 C ATOM 0 H ILE A 28 6.026 7.246 -2.685 1.00 0.00 H new ATOM 0 HA ILE A 28 4.612 9.691 -2.350 1.00 0.00 H new ATOM 0 HB ILE A 28 3.870 6.862 -1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.522 6.840 -3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.790 6.622 -3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.510 7.626 -1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.362 8.586 -0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.091 9.262 -2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.324 8.181 -5.546 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.424 9.030 -4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.184 9.252 -4.414 1.00 0.00 H new ATOM 262 N ALA A 29 5.566 8.146 0.416 1.00 0.00 N ATOM 263 CA ALA A 29 5.766 8.321 1.863 1.00 0.00 C ATOM 264 C ALA A 29 6.566 9.600 2.152 1.00 0.00 C ATOM 265 O ALA A 29 6.412 10.211 3.207 1.00 0.00 O ATOM 266 CB ALA A 29 6.504 7.089 2.436 1.00 0.00 C ATOM 0 H ALA A 29 5.907 7.258 0.049 1.00 0.00 H new ATOM 0 HA ALA A 29 4.792 8.415 2.343 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.652 7.219 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.909 6.193 2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.472 6.985 1.946 1.00 0.00 H new ATOM 272 N ASP A 30 7.428 9.989 1.201 1.00 0.00 N ATOM 273 CA ASP A 30 8.268 11.195 1.341 1.00 0.00 C ATOM 274 C ASP A 30 7.495 12.462 0.922 1.00 0.00 C ATOM 275 O ASP A 30 7.714 13.551 1.473 1.00 0.00 O ATOM 276 CB ASP A 30 9.537 11.030 0.461 1.00 0.00 C ATOM 277 CG ASP A 30 10.374 9.831 0.932 1.00 0.00 C ATOM 278 OD1 ASP A 30 10.412 9.586 2.128 1.00 0.00 O ATOM 279 OD2 ASP A 30 10.970 9.180 0.088 1.00 0.00 O ATOM 0 H ASP A 30 7.564 9.487 0.324 1.00 0.00 H new ATOM 0 HA ASP A 30 8.552 11.309 2.387 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.247 10.891 -0.581 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.137 11.939 0.506 1.00 0.00 H new ATOM 284 N ILE A 31 6.592 12.317 -0.054 1.00 0.00 N ATOM 285 CA ILE A 31 5.793 13.458 -0.551 1.00 0.00 C ATOM 286 C ILE A 31 4.638 13.775 0.387 1.00 0.00 C ATOM 287 O ILE A 31 4.242 14.940 0.503 1.00 0.00 O ATOM 288 CB ILE A 31 5.245 13.133 -1.985 1.00 0.00 C ATOM 289 CG1 ILE A 31 6.442 13.016 -3.002 1.00 0.00 C ATOM 290 CG2 ILE A 31 4.236 14.240 -2.483 1.00 0.00 C ATOM 291 CD1 ILE A 31 5.981 12.395 -4.336 1.00 0.00 C ATOM 0 H ILE A 31 6.392 11.430 -0.517 1.00 0.00 H new ATOM 0 HA ILE A 31 6.440 14.334 -0.595 1.00 0.00 H new ATOM 0 HB ILE A 31 4.711 12.185 -1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.865 14.004 -3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.233 12.405 -2.568 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.876 13.983 -3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.392 14.298 -1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.742 15.205 -2.518 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.829 12.327 -5.018 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.581 11.398 -4.154 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.207 13.021 -4.781 1.00 0.00 H new ATOM 303 N GLN A 32 4.069 12.747 1.016 1.00 0.00 N ATOM 304 CA GLN A 32 2.911 12.944 1.905 1.00 0.00 C ATOM 305 C GLN A 32 3.257 13.849 3.077 1.00 0.00 C ATOM 306 O GLN A 32 2.661 14.906 3.236 1.00 0.00 O ATOM 307 CB GLN A 32 2.435 11.564 2.444 1.00 0.00 C ATOM 308 CG GLN A 32 1.637 10.796 1.360 1.00 0.00 C ATOM 309 CD GLN A 32 1.280 9.388 1.853 1.00 0.00 C ATOM 310 OE1 GLN A 32 1.953 8.837 2.728 1.00 0.00 O ATOM 311 NE2 GLN A 32 0.269 8.768 1.325 1.00 0.00 N ATOM 0 H GLN A 32 4.381 11.780 0.932 1.00 0.00 H new ATOM 0 HA GLN A 32 2.118 13.421 1.329 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.297 10.973 2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.812 11.708 3.327 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.727 11.343 1.114 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.226 10.729 0.445 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.287 9.224 0.602 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.031 7.825 1.634 1.00 0.00 H new ATOM 320 N GLU A 33 4.246 13.435 3.868 1.00 0.00 N ATOM 321 CA GLU A 33 4.693 14.209 5.029 1.00 0.00 C ATOM 322 C GLU A 33 5.174 15.576 4.584 1.00 0.00 C ATOM 323 O GLU A 33 4.711 16.585 5.115 1.00 0.00 O ATOM 324 CB GLU A 33 5.818 13.436 5.771 1.00 0.00 C ATOM 325 CG GLU A 33 7.024 13.082 4.813 1.00 0.00 C ATOM 326 CD GLU A 33 7.794 11.866 5.343 1.00 0.00 C ATOM 327 OE1 GLU A 33 7.166 10.840 5.544 1.00 0.00 O ATOM 328 OE2 GLU A 33 8.990 11.977 5.540 1.00 0.00 O ATOM 0 H GLU A 33 4.756 12.563 3.726 1.00 0.00 H new ATOM 0 HA GLU A 33 3.860 14.349 5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.182 14.037 6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.409 12.518 6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.650 12.874 3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.695 13.937 4.732 1.00 0.00 H new ATOM 335 N ALA A 34 6.174 15.599 3.665 1.00 0.00 N ATOM 336 CA ALA A 34 6.783 16.851 3.239 1.00 0.00 C ATOM 337 C ALA A 34 5.712 17.883 2.990 1.00 0.00 C ATOM 338 O ALA A 34 5.755 18.899 3.626 1.00 0.00 O ATOM 339 CB ALA A 34 7.576 16.616 1.932 1.00 0.00 C ATOM 0 H ALA A 34 6.560 14.767 3.219 1.00 0.00 H new ATOM 0 HA ALA A 34 7.454 17.208 4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.033 17.552 1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.354 15.873 2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.900 16.257 1.156 1.00 0.00 H new ATOM 345 N LEU A 35 4.756 17.584 2.107 1.00 0.00 N ATOM 346 CA LEU A 35 3.656 18.511 1.824 1.00 0.00 C ATOM 347 C LEU A 35 2.703 18.636 3.037 1.00 0.00 C ATOM 348 O LEU A 35 2.445 19.739 3.529 1.00 0.00 O ATOM 349 CB LEU A 35 2.845 17.964 0.611 1.00 0.00 C ATOM 350 CG LEU A 35 1.600 18.881 0.250 1.00 0.00 C ATOM 351 CD1 LEU A 35 2.050 20.174 -0.489 1.00 0.00 C ATOM 352 CD2 LEU A 35 0.570 18.084 -0.590 1.00 0.00 C ATOM 0 H LEU A 35 4.720 16.713 1.578 1.00 0.00 H new ATOM 0 HA LEU A 35 4.076 19.493 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.501 17.889 -0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.497 16.956 0.836 1.00 0.00 H new ATOM 0 HG LEU A 35 1.119 19.188 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.176 20.782 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.726 20.742 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.563 19.905 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.278 18.725 -0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.039 17.742 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.223 17.223 -0.019 1.00 0.00 H new ATOM 364 N ALA A 36 2.112 17.497 3.451 1.00 0.00 N ATOM 365 CA ALA A 36 1.104 17.493 4.544 1.00 0.00 C ATOM 366 C ALA A 36 1.606 18.285 5.751 1.00 0.00 C ATOM 367 O ALA A 36 1.014 19.284 6.153 1.00 0.00 O ATOM 368 CB ALA A 36 0.772 16.038 4.973 1.00 0.00 C ATOM 0 H ALA A 36 2.308 16.578 3.055 1.00 0.00 H new ATOM 0 HA ALA A 36 0.199 17.968 4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.033 16.054 5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.371 15.490 4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.679 15.547 5.326 1.00 0.00 H new ATOM 374 N HIS A 37 2.731 17.826 6.274 1.00 0.00 N ATOM 375 CA HIS A 37 3.393 18.461 7.413 1.00 0.00 C ATOM 376 C HIS A 37 4.157 19.701 6.932 1.00 0.00 C ATOM 377 O HIS A 37 5.126 20.105 7.581 1.00 0.00 O ATOM 378 CB HIS A 37 4.399 17.456 8.074 1.00 0.00 C ATOM 379 CG HIS A 37 4.860 18.014 9.402 1.00 0.00 C ATOM 380 ND1 HIS A 37 3.986 18.152 10.464 1.00 0.00 N ATOM 381 CD2 HIS A 37 6.057 18.534 9.825 1.00 0.00 C ATOM 382 CE1 HIS A 37 4.654 18.741 11.465 1.00 0.00 C ATOM 383 NE2 HIS A 37 5.924 18.996 11.131 1.00 0.00 N ATOM 0 H HIS A 37 3.216 17.000 5.923 1.00 0.00 H new ATOM 0 HA HIS A 37 2.642 18.753 8.147 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.921 16.487 8.219 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.254 17.294 7.418 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.961 18.578 9.236 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.220 18.981 12.425 1.00 0.00 H new ATOM 0 HE2 HIS A 37 6.641 19.435 11.709 1.00 0.00 H new ATOM 391 N ALA A 38 3.708 20.343 5.818 1.00 0.00 N ATOM 392 CA ALA A 38 4.389 21.568 5.306 1.00 0.00 C ATOM 393 C ALA A 38 3.538 22.798 5.493 1.00 0.00 C ATOM 394 O ALA A 38 4.017 23.736 6.122 1.00 0.00 O ATOM 395 CB ALA A 38 4.682 21.465 3.774 1.00 0.00 C ATOM 0 H ALA A 38 2.901 20.044 5.270 1.00 0.00 H new ATOM 0 HA ALA A 38 5.315 21.647 5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.178 22.375 3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.328 20.608 3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.745 21.341 3.232 1.00 0.00 H new ATOM 401 N ASP A 39 2.279 22.761 4.919 1.00 0.00 N ATOM 402 CA ASP A 39 1.283 23.901 4.940 1.00 0.00 C ATOM 403 C ASP A 39 1.918 25.166 5.547 1.00 0.00 C ATOM 404 O ASP A 39 1.399 25.759 6.491 1.00 0.00 O ATOM 405 CB ASP A 39 0.004 23.495 5.717 1.00 0.00 C ATOM 406 CG ASP A 39 0.366 23.093 7.148 1.00 0.00 C ATOM 407 OD1 ASP A 39 1.216 22.232 7.296 1.00 0.00 O ATOM 408 OD2 ASP A 39 -0.204 23.654 8.072 1.00 0.00 O ATOM 0 H ASP A 39 1.928 21.938 4.429 1.00 0.00 H new ATOM 0 HA ASP A 39 0.997 24.126 3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.702 24.326 5.731 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.490 22.665 5.212 1.00 0.00 H new ATOM 413 N ALA A 40 3.129 25.485 5.046 1.00 0.00 N ATOM 414 CA ALA A 40 3.941 26.572 5.601 1.00 0.00 C ATOM 415 C ALA A 40 3.226 27.887 5.452 1.00 0.00 C ATOM 416 O ALA A 40 3.069 28.638 6.419 1.00 0.00 O ATOM 417 CB ALA A 40 5.322 26.610 4.894 1.00 0.00 C ATOM 0 H ALA A 40 3.561 25.002 4.258 1.00 0.00 H new ATOM 0 HA ALA A 40 4.100 26.393 6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.922 27.420 5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.836 25.661 5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.180 26.776 3.826 1.00 0.00 H new ATOM 423 N ASN A 41 2.786 28.159 4.227 1.00 0.00 N ATOM 424 CA ASN A 41 2.073 29.397 3.934 1.00 0.00 C ATOM 425 C ASN A 41 0.593 29.237 4.277 1.00 0.00 C ATOM 426 O ASN A 41 -0.132 30.227 4.355 1.00 0.00 O ATOM 427 CB ASN A 41 2.255 29.713 2.433 1.00 0.00 C ATOM 428 CG ASN A 41 3.749 29.786 2.096 1.00 0.00 C ATOM 429 OD1 ASN A 41 4.464 30.627 2.641 1.00 0.00 O ATOM 430 ND2 ASN A 41 4.268 28.940 1.245 1.00 0.00 N ATOM 0 H ASN A 41 2.910 27.541 3.425 1.00 0.00 H new ATOM 0 HA ASN A 41 2.470 30.217 4.532 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.774 28.944 1.829 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.771 30.659 2.190 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.265 28.977 1.033 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.676 28.243 0.793 1.00 0.00 H new ATOM 437 N ALA A 42 0.138 27.980 4.462 1.00 0.00 N ATOM 438 CA ALA A 42 -1.275 27.704 4.785 1.00 0.00 C ATOM 439 C ALA A 42 -2.210 28.349 3.743 1.00 0.00 C ATOM 440 O ALA A 42 -3.095 29.141 4.089 1.00 0.00 O ATOM 441 CB ALA A 42 -1.595 28.233 6.205 1.00 0.00 C ATOM 0 H ALA A 42 0.724 27.148 4.394 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.439 26.627 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.639 28.029 6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.953 27.735 6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.418 29.308 6.241 1.00 0.00 H new ATOM 447 N ASP A 43 -2.000 28.002 2.461 1.00 0.00 N ATOM 448 CA ASP A 43 -2.810 28.536 1.341 1.00 0.00 C ATOM 449 C ASP A 43 -3.801 27.479 0.857 1.00 0.00 C ATOM 450 O ASP A 43 -4.760 27.810 0.165 1.00 0.00 O ATOM 451 CB ASP A 43 -1.870 28.999 0.213 1.00 0.00 C ATOM 452 CG ASP A 43 -0.901 27.881 -0.167 1.00 0.00 C ATOM 453 OD1 ASP A 43 -1.340 26.750 -0.282 1.00 0.00 O ATOM 454 OD2 ASP A 43 0.264 28.179 -0.343 1.00 0.00 O ATOM 0 H ASP A 43 -1.272 27.350 2.169 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.391 29.395 1.677 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.455 29.293 -0.658 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.312 29.879 0.534 1.00 0.00 H new ATOM 459 N GLN A 44 -3.555 26.215 1.233 1.00 0.00 N ATOM 460 CA GLN A 44 -4.430 25.091 0.871 1.00 0.00 C ATOM 461 C GLN A 44 -4.445 24.838 -0.631 1.00 0.00 C ATOM 462 O GLN A 44 -5.256 24.040 -1.108 1.00 0.00 O ATOM 463 CB GLN A 44 -5.882 25.331 1.388 1.00 0.00 C ATOM 464 CG GLN A 44 -5.860 25.611 2.914 1.00 0.00 C ATOM 465 CD GLN A 44 -7.275 25.892 3.429 1.00 0.00 C ATOM 466 OE1 GLN A 44 -8.213 25.174 3.087 1.00 0.00 O ATOM 467 NE2 GLN A 44 -7.478 26.903 4.230 1.00 0.00 N ATOM 0 H GLN A 44 -2.747 25.944 1.794 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.022 24.202 1.353 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.330 26.174 0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.501 24.458 1.178 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.438 24.755 3.441 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.214 26.464 3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.697 27.496 4.511 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.418 27.100 4.575 1.00 0.00 H new ATOM 476 N HIS A 45 -3.545 25.507 -1.367 1.00 0.00 N ATOM 477 CA HIS A 45 -3.422 25.357 -2.830 1.00 0.00 C ATOM 478 C HIS A 45 -2.023 24.870 -3.140 1.00 0.00 C ATOM 479 O HIS A 45 -1.183 24.794 -2.239 1.00 0.00 O ATOM 480 CB HIS A 45 -3.698 26.731 -3.535 1.00 0.00 C ATOM 481 CG HIS A 45 -2.553 27.727 -3.376 1.00 0.00 C ATOM 482 ND1 HIS A 45 -1.225 27.331 -3.274 1.00 0.00 N ATOM 483 CD2 HIS A 45 -2.523 29.089 -3.314 1.00 0.00 C ATOM 484 CE1 HIS A 45 -0.468 28.414 -3.153 1.00 0.00 C ATOM 485 NE2 HIS A 45 -1.203 29.522 -3.166 1.00 0.00 N ATOM 0 H HIS A 45 -2.880 26.169 -0.967 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.152 24.637 -3.200 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.877 26.558 -4.596 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.609 27.166 -3.125 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.387 29.734 -3.371 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.608 28.398 -3.056 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -0.873 30.484 -3.085 1.00 0.00 H new ATOM 493 N LEU A 46 -1.773 24.578 -4.419 1.00 0.00 N ATOM 494 CA LEU A 46 -0.449 24.117 -4.881 1.00 0.00 C ATOM 495 C LEU A 46 0.119 25.018 -5.971 1.00 0.00 C ATOM 496 O LEU A 46 -0.216 24.861 -7.147 1.00 0.00 O ATOM 497 CB LEU A 46 -0.595 22.681 -5.424 1.00 0.00 C ATOM 498 CG LEU A 46 -1.159 21.710 -4.330 1.00 0.00 C ATOM 499 CD1 LEU A 46 -1.346 20.298 -4.956 1.00 0.00 C ATOM 500 CD2 LEU A 46 -0.221 21.628 -3.070 1.00 0.00 C ATOM 0 H LEU A 46 -2.470 24.651 -5.161 1.00 0.00 H new ATOM 0 HA LEU A 46 0.242 24.148 -4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.259 22.683 -6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.374 22.320 -5.768 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.117 22.100 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.738 19.615 -4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.046 20.359 -5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.385 19.929 -5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.652 20.944 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.762 21.265 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.122 22.618 -2.625 1.00 0.00 H new ATOM 512 N ASP A 47 1.027 25.922 -5.574 1.00 0.00 N ATOM 513 CA ASP A 47 1.724 26.810 -6.507 1.00 0.00 C ATOM 514 C ASP A 47 3.100 26.190 -6.755 1.00 0.00 C ATOM 515 O ASP A 47 3.718 25.666 -5.825 1.00 0.00 O ATOM 516 CB ASP A 47 1.869 28.230 -5.905 1.00 0.00 C ATOM 517 CG ASP A 47 2.514 29.179 -6.927 1.00 0.00 C ATOM 518 OD1 ASP A 47 2.088 29.157 -8.072 1.00 0.00 O ATOM 519 OD2 ASP A 47 3.426 29.899 -6.557 1.00 0.00 O ATOM 0 H ASP A 47 1.296 26.055 -4.599 1.00 0.00 H new ATOM 0 HA ASP A 47 1.166 26.912 -7.438 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.890 28.610 -5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.478 28.189 -5.002 1.00 0.00 H new ATOM 524 N PHE A 48 3.537 26.202 -8.009 1.00 0.00 N ATOM 525 CA PHE A 48 4.816 25.598 -8.420 1.00 0.00 C ATOM 526 C PHE A 48 5.965 25.919 -7.461 1.00 0.00 C ATOM 527 O PHE A 48 6.735 25.030 -7.087 1.00 0.00 O ATOM 528 CB PHE A 48 5.187 26.119 -9.862 1.00 0.00 C ATOM 529 CG PHE A 48 5.565 24.938 -10.773 1.00 0.00 C ATOM 530 CD1 PHE A 48 4.570 24.283 -11.525 1.00 0.00 C ATOM 531 CD2 PHE A 48 6.900 24.486 -10.844 1.00 0.00 C ATOM 532 CE1 PHE A 48 4.900 23.199 -12.338 1.00 0.00 C ATOM 533 CE2 PHE A 48 7.227 23.397 -11.661 1.00 0.00 C ATOM 534 CZ PHE A 48 6.228 22.754 -12.408 1.00 0.00 C ATOM 0 H PHE A 48 3.019 26.630 -8.777 1.00 0.00 H new ATOM 0 HA PHE A 48 4.682 24.516 -8.410 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.343 26.661 -10.289 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.019 26.821 -9.800 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.546 24.622 -11.472 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.669 24.980 -10.268 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.133 22.702 -12.914 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.249 23.052 -11.716 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.483 21.915 -13.038 1.00 0.00 H new ATOM 544 N ASP A 49 6.088 27.202 -7.098 1.00 0.00 N ATOM 545 CA ASP A 49 7.158 27.655 -6.222 1.00 0.00 C ATOM 546 C ASP A 49 7.199 26.842 -4.930 1.00 0.00 C ATOM 547 O ASP A 49 8.220 26.263 -4.592 1.00 0.00 O ATOM 548 CB ASP A 49 6.922 29.151 -5.884 1.00 0.00 C ATOM 549 CG ASP A 49 6.836 29.981 -7.171 1.00 0.00 C ATOM 550 OD1 ASP A 49 7.822 30.025 -7.888 1.00 0.00 O ATOM 551 OD2 ASP A 49 5.792 30.568 -7.415 1.00 0.00 O ATOM 0 H ASP A 49 5.454 27.941 -7.402 1.00 0.00 H new ATOM 0 HA ASP A 49 8.111 27.522 -6.734 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.001 29.260 -5.311 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.734 29.522 -5.258 1.00 0.00 H new ATOM 556 N GLU A 50 6.072 26.794 -4.227 1.00 0.00 N ATOM 557 CA GLU A 50 5.982 26.052 -2.966 1.00 0.00 C ATOM 558 C GLU A 50 6.273 24.568 -3.170 1.00 0.00 C ATOM 559 O GLU A 50 7.101 23.999 -2.472 1.00 0.00 O ATOM 560 CB GLU A 50 4.558 26.206 -2.374 1.00 0.00 C ATOM 561 CG GLU A 50 4.257 27.695 -2.055 1.00 0.00 C ATOM 562 CD GLU A 50 2.855 27.861 -1.456 1.00 0.00 C ATOM 563 OE1 GLU A 50 2.148 26.868 -1.324 1.00 0.00 O ATOM 564 OE2 GLU A 50 2.512 28.986 -1.138 1.00 0.00 O ATOM 0 H GLU A 50 5.207 27.258 -4.505 1.00 0.00 H new ATOM 0 HA GLU A 50 6.726 26.462 -2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.821 25.824 -3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.469 25.609 -1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.001 28.078 -1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.339 28.289 -2.966 1.00 0.00 H new ATOM 571 N TRP A 51 5.584 23.948 -4.131 1.00 0.00 N ATOM 572 CA TRP A 51 5.770 22.519 -4.395 1.00 0.00 C ATOM 573 C TRP A 51 7.221 22.215 -4.780 1.00 0.00 C ATOM 574 O TRP A 51 7.884 21.402 -4.134 1.00 0.00 O ATOM 575 CB TRP A 51 4.818 22.068 -5.534 1.00 0.00 C ATOM 576 CG TRP A 51 5.021 20.599 -5.815 1.00 0.00 C ATOM 577 CD1 TRP A 51 6.000 20.085 -6.579 1.00 0.00 C ATOM 578 CD2 TRP A 51 4.261 19.474 -5.323 1.00 0.00 C ATOM 579 NE1 TRP A 51 5.902 18.712 -6.567 1.00 0.00 N ATOM 580 CE2 TRP A 51 4.837 18.286 -5.820 1.00 0.00 C ATOM 581 CE3 TRP A 51 3.142 19.375 -4.504 1.00 0.00 C ATOM 582 CZ2 TRP A 51 4.314 17.035 -5.517 1.00 0.00 C ATOM 583 CZ3 TRP A 51 2.602 18.120 -4.198 1.00 0.00 C ATOM 584 CH2 TRP A 51 3.184 16.949 -4.704 1.00 0.00 C ATOM 0 H TRP A 51 4.900 24.406 -4.733 1.00 0.00 H new ATOM 0 HA TRP A 51 5.536 21.969 -3.484 1.00 0.00 H new ATOM 0 HB2 TRP A 51 3.782 22.254 -5.250 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.011 22.651 -6.435 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.743 20.656 -7.115 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.545 18.088 -7.055 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.688 20.269 -4.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.777 16.140 -5.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.729 18.053 -3.566 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.759 15.985 -4.465 1.00 0.00 H new ATOM 595 N ARG A 52 7.678 22.833 -5.870 1.00 0.00 N ATOM 596 CA ARG A 52 9.023 22.581 -6.385 1.00 0.00 C ATOM 597 C ARG A 52 10.094 22.768 -5.310 1.00 0.00 C ATOM 598 O ARG A 52 10.872 21.876 -5.074 1.00 0.00 O ATOM 599 CB ARG A 52 9.323 23.552 -7.568 1.00 0.00 C ATOM 600 CG ARG A 52 10.726 23.256 -8.199 1.00 0.00 C ATOM 601 CD ARG A 52 10.974 24.175 -9.406 1.00 0.00 C ATOM 602 NE ARG A 52 10.925 25.581 -8.981 1.00 0.00 N ATOM 603 CZ ARG A 52 11.026 26.591 -9.858 1.00 0.00 C ATOM 604 NH1 ARG A 52 11.188 26.337 -11.130 1.00 0.00 N ATOM 605 NH2 ARG A 52 10.961 27.825 -9.443 1.00 0.00 N ATOM 0 H ARG A 52 7.138 23.509 -6.411 1.00 0.00 H new ATOM 0 HA ARG A 52 9.054 21.544 -6.720 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.550 23.452 -8.330 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.290 24.582 -7.214 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.506 23.406 -7.453 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.779 22.213 -8.511 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.945 23.954 -9.850 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.223 23.992 -10.174 1.00 0.00 H new ATOM 0 HE ARG A 52 10.811 25.795 -7.990 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.237 25.371 -11.455 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.265 27.104 -11.798 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.833 28.023 -8.451 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.038 28.592 -10.111 1.00 0.00 H new ATOM 619 N GLN A 53 10.089 23.925 -4.670 1.00 0.00 N ATOM 620 CA GLN A 53 11.082 24.242 -3.635 1.00 0.00 C ATOM 621 C GLN A 53 10.975 23.320 -2.431 1.00 0.00 C ATOM 622 O GLN A 53 12.000 22.845 -1.910 1.00 0.00 O ATOM 623 CB GLN A 53 10.886 25.706 -3.180 1.00 0.00 C ATOM 624 CG GLN A 53 11.182 26.685 -4.353 1.00 0.00 C ATOM 625 CD GLN A 53 10.909 28.134 -3.937 1.00 0.00 C ATOM 626 OE1 GLN A 53 10.632 28.419 -2.768 1.00 0.00 O ATOM 627 NE2 GLN A 53 10.961 29.070 -4.838 1.00 0.00 N ATOM 0 H GLN A 53 9.411 24.667 -4.843 1.00 0.00 H new ATOM 0 HA GLN A 53 12.072 24.100 -4.068 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.865 25.850 -2.827 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.547 25.924 -2.341 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.221 26.582 -4.665 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.564 26.426 -5.213 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.190 28.836 -5.804 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.773 30.038 -4.579 1.00 0.00 H new ATOM 636 N GLU A 54 9.742 23.092 -1.965 1.00 0.00 N ATOM 637 CA GLU A 54 9.520 22.262 -0.782 1.00 0.00 C ATOM 638 C GLU A 54 10.042 20.851 -1.001 1.00 0.00 C ATOM 639 O GLU A 54 10.751 20.301 -0.158 1.00 0.00 O ATOM 640 CB GLU A 54 7.999 22.203 -0.432 1.00 0.00 C ATOM 641 CG GLU A 54 7.732 21.383 0.876 1.00 0.00 C ATOM 642 CD GLU A 54 8.389 22.057 2.088 1.00 0.00 C ATOM 643 OE1 GLU A 54 8.468 23.277 2.097 1.00 0.00 O ATOM 644 OE2 GLU A 54 8.801 21.343 2.988 1.00 0.00 O ATOM 0 H GLU A 54 8.892 23.468 -2.386 1.00 0.00 H new ATOM 0 HA GLU A 54 10.064 22.715 0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.615 23.216 -0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.453 21.752 -1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.658 21.294 1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.121 20.371 0.762 1.00 0.00 H new ATOM 651 N LEU A 55 9.630 20.253 -2.110 1.00 0.00 N ATOM 652 CA LEU A 55 9.998 18.868 -2.416 1.00 0.00 C ATOM 653 C LEU A 55 11.420 18.753 -2.921 1.00 0.00 C ATOM 654 O LEU A 55 12.027 17.692 -2.816 1.00 0.00 O ATOM 655 CB LEU A 55 8.986 18.273 -3.482 1.00 0.00 C ATOM 656 CG LEU A 55 8.389 16.903 -3.019 1.00 0.00 C ATOM 657 CD1 LEU A 55 9.529 15.832 -2.860 1.00 0.00 C ATOM 658 CD2 LEU A 55 7.565 17.081 -1.685 1.00 0.00 C ATOM 0 H LEU A 55 9.042 20.699 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 55 9.940 18.295 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.177 18.983 -3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.498 18.142 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 55 7.702 16.542 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.096 14.885 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.034 15.693 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.248 16.174 -2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.157 16.118 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.219 17.464 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.749 17.784 -1.853 1.00 0.00 H new ATOM 670 N LYS A 56 11.934 19.834 -3.475 1.00 0.00 N ATOM 671 CA LYS A 56 13.290 19.837 -4.022 1.00 0.00 C ATOM 672 C LYS A 56 14.337 19.526 -2.960 1.00 0.00 C ATOM 673 O LYS A 56 15.226 18.692 -3.190 1.00 0.00 O ATOM 674 CB LYS A 56 13.590 21.220 -4.630 1.00 0.00 C ATOM 675 CG LYS A 56 15.008 21.278 -5.269 1.00 0.00 C ATOM 676 CD LYS A 56 15.266 22.665 -5.929 1.00 0.00 C ATOM 677 CE LYS A 56 15.452 23.785 -4.873 1.00 0.00 C ATOM 678 NZ LYS A 56 15.873 25.017 -5.581 1.00 0.00 N ATOM 0 H LYS A 56 11.440 20.722 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 56 13.341 19.059 -4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.841 21.454 -5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.510 21.982 -3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.763 21.088 -4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.106 20.491 -6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 56 16.155 22.608 -6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.430 22.917 -6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.522 23.956 -4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 56 16.201 23.494 -4.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.005 25.785 -4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 16.769 24.842 -6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.142 25.290 -6.268 1.00 0.00 H new ATOM 692 N CYS A 57 14.249 20.204 -1.811 1.00 0.00 N ATOM 693 CA CYS A 57 15.233 20.010 -0.744 1.00 0.00 C ATOM 694 C CYS A 57 15.205 18.586 -0.216 1.00 0.00 C ATOM 695 O CYS A 57 16.055 18.207 0.593 1.00 0.00 O ATOM 696 CB CYS A 57 14.946 21.009 0.402 1.00 0.00 C ATOM 697 SG CYS A 57 13.320 20.674 1.138 1.00 0.00 S ATOM 0 H CYS A 57 13.517 20.882 -1.599 1.00 0.00 H new ATOM 0 HA CYS A 57 16.227 20.191 -1.152 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.721 20.931 1.164 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.977 22.029 0.020 1.00 0.00 H new ATOM 0 HG CYS A 57 12.412 20.683 0.207 1.00 0.00 H new ATOM 703 N ARG A 58 14.213 17.805 -0.662 1.00 0.00 N ATOM 704 CA ARG A 58 14.059 16.420 -0.214 1.00 0.00 C ATOM 705 C ARG A 58 14.909 15.462 -1.044 1.00 0.00 C ATOM 706 O ARG A 58 14.601 14.270 -1.132 1.00 0.00 O ATOM 707 CB ARG A 58 12.550 16.008 -0.275 1.00 0.00 C ATOM 708 CG ARG A 58 12.224 14.902 0.795 1.00 0.00 C ATOM 709 CD ARG A 58 11.954 15.543 2.193 1.00 0.00 C ATOM 710 NE ARG A 58 11.983 14.501 3.217 1.00 0.00 N ATOM 711 CZ ARG A 58 11.012 13.601 3.343 1.00 0.00 C ATOM 712 NH1 ARG A 58 9.991 13.625 2.535 1.00 0.00 N ATOM 713 NH2 ARG A 58 11.091 12.696 4.267 1.00 0.00 N ATOM 0 H ARG A 58 13.507 18.110 -1.332 1.00 0.00 H new ATOM 0 HA ARG A 58 14.409 16.356 0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.923 16.883 -0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.311 15.637 -1.272 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.352 14.329 0.478 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.057 14.202 0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.706 16.302 2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.986 16.044 2.195 1.00 0.00 H new ATOM 0 HE ARG A 58 12.776 14.463 3.858 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.935 14.335 1.804 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.247 12.934 2.633 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.895 12.676 4.894 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.349 12.004 4.368 1.00 0.00 H new ATOM 727 N GLY A 59 15.976 15.983 -1.642 1.00 0.00 N ATOM 728 CA GLY A 59 16.884 15.170 -2.458 1.00 0.00 C ATOM 729 C GLY A 59 16.350 14.980 -3.873 1.00 0.00 C ATOM 730 O GLY A 59 16.897 14.179 -4.636 1.00 0.00 O ATOM 0 H GLY A 59 16.237 16.967 -1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.863 15.648 -2.499 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.024 14.197 -1.988 1.00 0.00 H new ATOM 734 N HIS A 60 15.286 15.727 -4.231 1.00 0.00 N ATOM 735 CA HIS A 60 14.676 15.654 -5.584 1.00 0.00 C ATOM 736 C HIS A 60 15.181 16.839 -6.411 1.00 0.00 C ATOM 737 O HIS A 60 15.473 17.909 -5.871 1.00 0.00 O ATOM 738 CB HIS A 60 13.115 15.680 -5.484 1.00 0.00 C ATOM 739 CG HIS A 60 12.573 14.295 -5.219 1.00 0.00 C ATOM 740 ND1 HIS A 60 12.344 13.402 -6.250 1.00 0.00 N ATOM 741 CD2 HIS A 60 12.249 13.630 -4.068 1.00 0.00 C ATOM 742 CE1 HIS A 60 11.903 12.259 -5.706 1.00 0.00 C ATOM 743 NE2 HIS A 60 11.825 12.344 -4.377 1.00 0.00 N ATOM 0 H HIS A 60 14.828 16.389 -3.605 1.00 0.00 H new ATOM 0 HA HIS A 60 14.962 14.720 -6.067 1.00 0.00 H new ATOM 0 HB2 HIS A 60 12.808 16.355 -4.685 1.00 0.00 H new ATOM 0 HB3 HIS A 60 12.693 16.070 -6.410 1.00 0.00 H new ATOM 0 HD2 HIS A 60 12.313 14.042 -3.072 1.00 0.00 H new ATOM 0 HE1 HIS A 60 11.643 11.378 -6.274 1.00 0.00 H new ATOM 0 HE2 HIS A 60 11.519 11.620 -3.727 1.00 0.00 H new ATOM 751 N ALA A 61 15.277 16.633 -7.732 1.00 0.00 N ATOM 752 CA ALA A 61 15.740 17.664 -8.664 1.00 0.00 C ATOM 753 C ALA A 61 14.573 18.566 -9.044 1.00 0.00 C ATOM 754 O ALA A 61 13.437 18.275 -8.724 1.00 0.00 O ATOM 755 CB ALA A 61 16.312 16.976 -9.923 1.00 0.00 C ATOM 0 H ALA A 61 15.036 15.749 -8.181 1.00 0.00 H new ATOM 0 HA ALA A 61 16.516 18.271 -8.197 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.660 17.734 -10.625 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.146 16.333 -9.640 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.534 16.375 -10.394 1.00 0.00 H new ATOM 761 N ASP A 62 14.875 19.662 -9.727 1.00 0.00 N ATOM 762 CA ASP A 62 13.857 20.629 -10.167 1.00 0.00 C ATOM 763 C ASP A 62 13.082 20.135 -11.394 1.00 0.00 C ATOM 764 O ASP A 62 11.887 20.394 -11.519 1.00 0.00 O ATOM 765 CB ASP A 62 14.563 21.955 -10.537 1.00 0.00 C ATOM 766 CG ASP A 62 15.383 22.469 -9.354 1.00 0.00 C ATOM 767 OD1 ASP A 62 16.296 21.773 -8.949 1.00 0.00 O ATOM 768 OD2 ASP A 62 15.092 23.558 -8.879 1.00 0.00 O ATOM 0 H ASP A 62 15.827 19.913 -9.995 1.00 0.00 H new ATOM 0 HA ASP A 62 13.148 20.764 -9.350 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.213 21.801 -11.399 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.822 22.701 -10.826 1.00 0.00 H new ATOM 773 N ALA A 63 13.783 19.442 -12.305 1.00 0.00 N ATOM 774 CA ALA A 63 13.181 18.932 -13.549 1.00 0.00 C ATOM 775 C ALA A 63 12.357 17.662 -13.320 1.00 0.00 C ATOM 776 O ALA A 63 11.286 17.509 -13.886 1.00 0.00 O ATOM 777 CB ALA A 63 14.301 18.634 -14.575 1.00 0.00 C ATOM 0 H ALA A 63 14.773 19.220 -12.203 1.00 0.00 H new ATOM 0 HA ALA A 63 12.506 19.700 -13.926 1.00 0.00 H new ATOM 0 HB1 ALA A 63 13.859 18.256 -15.497 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.854 19.549 -14.786 1.00 0.00 H new ATOM 0 HB3 ALA A 63 14.980 17.886 -14.165 1.00 0.00 H new ATOM 783 N ASP A 64 12.892 16.729 -12.532 1.00 0.00 N ATOM 784 CA ASP A 64 12.220 15.442 -12.294 1.00 0.00 C ATOM 785 C ASP A 64 10.809 15.631 -11.725 1.00 0.00 C ATOM 786 O ASP A 64 9.870 14.937 -12.130 1.00 0.00 O ATOM 787 CB ASP A 64 13.066 14.593 -11.310 1.00 0.00 C ATOM 788 CG ASP A 64 12.419 13.216 -11.080 1.00 0.00 C ATOM 789 OD1 ASP A 64 12.679 12.322 -11.869 1.00 0.00 O ATOM 790 OD2 ASP A 64 11.653 13.091 -10.137 1.00 0.00 O ATOM 0 H ASP A 64 13.784 16.835 -12.048 1.00 0.00 H new ATOM 0 HA ASP A 64 12.127 14.931 -13.252 1.00 0.00 H new ATOM 0 HB2 ASP A 64 14.073 14.465 -11.707 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.162 15.118 -10.360 1.00 0.00 H new ATOM 795 N ILE A 65 10.673 16.561 -10.781 1.00 0.00 N ATOM 796 CA ILE A 65 9.386 16.830 -10.138 1.00 0.00 C ATOM 797 C ILE A 65 8.330 17.262 -11.152 1.00 0.00 C ATOM 798 O ILE A 65 7.136 17.129 -10.888 1.00 0.00 O ATOM 799 CB ILE A 65 9.571 17.953 -9.065 1.00 0.00 C ATOM 800 CG1 ILE A 65 10.542 17.461 -7.930 1.00 0.00 C ATOM 801 CG2 ILE A 65 8.180 18.350 -8.444 1.00 0.00 C ATOM 802 CD1 ILE A 65 10.963 18.640 -7.020 1.00 0.00 C ATOM 0 H ILE A 65 11.440 17.143 -10.443 1.00 0.00 H new ATOM 0 HA ILE A 65 9.041 15.909 -9.667 1.00 0.00 H new ATOM 0 HB ILE A 65 10.003 18.829 -9.549 1.00 0.00 H new ATOM 0 HG12 ILE A 65 10.052 16.692 -7.333 1.00 0.00 H new ATOM 0 HG13 ILE A 65 11.426 17.004 -8.374 1.00 0.00 H new ATOM 0 HG21 ILE A 65 8.324 19.132 -7.699 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.521 18.716 -9.231 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.730 17.477 -7.971 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.634 18.277 -6.242 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.474 19.396 -7.617 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.078 19.079 -6.560 1.00 0.00 H new ATOM 814 N GLU A 66 8.771 17.790 -12.287 1.00 0.00 N ATOM 815 CA GLU A 66 7.839 18.267 -13.320 1.00 0.00 C ATOM 816 C GLU A 66 7.027 17.104 -13.888 1.00 0.00 C ATOM 817 O GLU A 66 5.833 17.230 -14.090 1.00 0.00 O ATOM 818 CB GLU A 66 8.611 18.960 -14.475 1.00 0.00 C ATOM 819 CG GLU A 66 9.446 20.149 -13.928 1.00 0.00 C ATOM 820 CD GLU A 66 10.235 20.846 -15.050 1.00 0.00 C ATOM 821 OE1 GLU A 66 10.031 20.516 -16.211 1.00 0.00 O ATOM 822 OE2 GLU A 66 11.044 21.697 -14.723 1.00 0.00 O ATOM 0 H GLU A 66 9.757 17.901 -12.521 1.00 0.00 H new ATOM 0 HA GLU A 66 7.165 18.986 -12.855 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.267 18.241 -14.965 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.909 19.316 -15.229 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.784 20.869 -13.446 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.137 19.790 -13.165 1.00 0.00 H new ATOM 829 N ALA A 67 7.694 15.973 -14.136 1.00 0.00 N ATOM 830 CA ALA A 67 7.021 14.790 -14.703 1.00 0.00 C ATOM 831 C ALA A 67 5.925 14.277 -13.765 1.00 0.00 C ATOM 832 O ALA A 67 4.791 14.034 -14.187 1.00 0.00 O ATOM 833 CB ALA A 67 8.060 13.678 -14.957 1.00 0.00 C ATOM 0 H ALA A 67 8.690 15.847 -13.957 1.00 0.00 H new ATOM 0 HA ALA A 67 6.553 15.077 -15.645 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.562 12.804 -15.376 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.813 14.037 -15.658 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.540 13.406 -14.017 1.00 0.00 H new ATOM 839 N VAL A 68 6.282 14.102 -12.487 1.00 0.00 N ATOM 840 CA VAL A 68 5.347 13.612 -11.477 1.00 0.00 C ATOM 841 C VAL A 68 4.266 14.653 -11.210 1.00 0.00 C ATOM 842 O VAL A 68 3.098 14.306 -11.019 1.00 0.00 O ATOM 843 CB VAL A 68 6.109 13.273 -10.152 1.00 0.00 C ATOM 844 CG1 VAL A 68 5.138 12.646 -9.096 1.00 0.00 C ATOM 845 CG2 VAL A 68 7.268 12.283 -10.459 1.00 0.00 C ATOM 0 H VAL A 68 7.218 14.295 -12.130 1.00 0.00 H new ATOM 0 HA VAL A 68 4.874 12.704 -11.851 1.00 0.00 H new ATOM 0 HB VAL A 68 6.515 14.195 -9.737 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.690 12.419 -8.184 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.340 13.353 -8.871 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.707 11.729 -9.497 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.799 12.047 -9.537 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.861 11.367 -10.888 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.958 12.740 -11.168 1.00 0.00 H new ATOM 855 N PHE A 69 4.670 15.932 -11.139 1.00 0.00 N ATOM 856 CA PHE A 69 3.734 17.015 -10.840 1.00 0.00 C ATOM 857 C PHE A 69 2.836 17.324 -12.045 1.00 0.00 C ATOM 858 O PHE A 69 1.611 17.254 -11.933 1.00 0.00 O ATOM 859 CB PHE A 69 4.521 18.282 -10.428 1.00 0.00 C ATOM 860 CG PHE A 69 3.530 19.378 -9.983 1.00 0.00 C ATOM 861 CD1 PHE A 69 2.947 19.305 -8.701 1.00 0.00 C ATOM 862 CD2 PHE A 69 3.172 20.435 -10.846 1.00 0.00 C ATOM 863 CE1 PHE A 69 2.033 20.276 -8.284 1.00 0.00 C ATOM 864 CE2 PHE A 69 2.255 21.404 -10.425 1.00 0.00 C ATOM 865 CZ PHE A 69 1.687 21.327 -9.145 1.00 0.00 C ATOM 0 H PHE A 69 5.633 16.235 -11.284 1.00 0.00 H new ATOM 0 HA PHE A 69 3.093 16.697 -10.017 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.210 18.048 -9.616 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.123 18.638 -11.264 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.209 18.494 -8.038 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.606 20.496 -11.833 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.593 20.217 -7.299 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.984 22.213 -11.087 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.982 22.079 -8.822 1.00 0.00 H new ATOM 875 N ALA A 70 3.457 17.743 -13.177 1.00 0.00 N ATOM 876 CA ALA A 70 2.720 18.151 -14.408 1.00 0.00 C ATOM 877 C ALA A 70 1.521 17.239 -14.689 1.00 0.00 C ATOM 878 O ALA A 70 0.514 17.675 -15.233 1.00 0.00 O ATOM 879 CB ALA A 70 3.674 18.136 -15.631 1.00 0.00 C ATOM 0 H ALA A 70 4.471 17.808 -13.266 1.00 0.00 H new ATOM 0 HA ALA A 70 2.345 19.160 -14.240 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.125 18.435 -16.524 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.496 18.831 -15.460 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.072 17.131 -15.770 1.00 0.00 H new ATOM 885 N LYS A 71 1.650 15.985 -14.269 1.00 0.00 N ATOM 886 CA LYS A 71 0.598 14.982 -14.402 1.00 0.00 C ATOM 887 C LYS A 71 -0.720 15.433 -13.733 1.00 0.00 C ATOM 888 O LYS A 71 -1.770 14.819 -13.934 1.00 0.00 O ATOM 889 CB LYS A 71 1.068 13.643 -13.729 1.00 0.00 C ATOM 890 CG LYS A 71 0.179 12.459 -14.216 1.00 0.00 C ATOM 891 CD LYS A 71 0.546 11.135 -13.498 1.00 0.00 C ATOM 892 CE LYS A 71 -0.326 9.984 -14.053 1.00 0.00 C ATOM 893 NZ LYS A 71 0.048 8.726 -13.372 1.00 0.00 N ATOM 0 H LYS A 71 2.496 15.632 -13.822 1.00 0.00 H new ATOM 0 HA LYS A 71 0.411 14.841 -15.467 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.112 13.450 -13.976 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.008 13.731 -12.644 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.870 12.693 -14.035 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.296 12.334 -15.292 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.602 10.909 -13.647 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.391 11.237 -12.424 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.382 10.200 -13.891 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.181 9.887 -15.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.534 7.946 -13.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.052 8.521 -13.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.111 8.824 -12.349 1.00 0.00 H new ATOM 907 N TYR A 72 -0.658 16.530 -12.968 1.00 0.00 N ATOM 908 CA TYR A 72 -1.830 17.096 -12.275 1.00 0.00 C ATOM 909 C TYR A 72 -2.231 18.441 -12.853 1.00 0.00 C ATOM 910 O TYR A 72 -3.280 18.979 -12.488 1.00 0.00 O ATOM 911 CB TYR A 72 -1.499 17.209 -10.766 1.00 0.00 C ATOM 912 CG TYR A 72 -1.291 15.790 -10.184 1.00 0.00 C ATOM 913 CD1 TYR A 72 -2.397 14.916 -10.076 1.00 0.00 C ATOM 914 CD2 TYR A 72 -0.019 15.337 -9.770 1.00 0.00 C ATOM 915 CE1 TYR A 72 -2.230 13.625 -9.567 1.00 0.00 C ATOM 916 CE2 TYR A 72 0.139 14.043 -9.261 1.00 0.00 C ATOM 917 CZ TYR A 72 -0.964 13.189 -9.161 1.00 0.00 C ATOM 918 OH TYR A 72 -0.801 11.917 -8.653 1.00 0.00 O ATOM 0 H TYR A 72 0.204 17.052 -12.810 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.685 16.435 -12.417 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.601 17.809 -10.622 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.309 17.716 -10.241 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.376 15.248 -10.388 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.836 15.992 -9.847 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.080 12.963 -9.487 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.114 13.703 -8.945 1.00 0.00 H new ATOM 0 HH TYR A 72 0.141 11.776 -8.421 1.00 0.00 H new ATOM 928 N ASP A 73 -1.419 18.974 -13.773 1.00 0.00 N ATOM 929 CA ASP A 73 -1.720 20.259 -14.425 1.00 0.00 C ATOM 930 C ASP A 73 -2.563 19.988 -15.674 1.00 0.00 C ATOM 931 O ASP A 73 -2.169 20.314 -16.799 1.00 0.00 O ATOM 932 CB ASP A 73 -0.400 20.986 -14.794 1.00 0.00 C ATOM 933 CG ASP A 73 0.453 21.253 -13.547 1.00 0.00 C ATOM 934 OD1 ASP A 73 -0.078 21.201 -12.445 1.00 0.00 O ATOM 935 OD2 ASP A 73 1.630 21.517 -13.716 1.00 0.00 O ATOM 0 H ASP A 73 -0.550 18.539 -14.084 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.280 20.904 -13.748 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.166 20.381 -15.502 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.628 21.929 -15.291 1.00 0.00 H new ATOM 940 N VAL A 74 -3.734 19.367 -15.464 1.00 0.00 N ATOM 941 CA VAL A 74 -4.645 19.028 -16.571 1.00 0.00 C ATOM 942 C VAL A 74 -4.946 20.270 -17.412 1.00 0.00 C ATOM 943 O VAL A 74 -4.937 20.209 -18.645 1.00 0.00 O ATOM 944 CB VAL A 74 -5.970 18.414 -16.000 1.00 0.00 C ATOM 945 CG1 VAL A 74 -5.660 17.068 -15.278 1.00 0.00 C ATOM 946 CG2 VAL A 74 -6.652 19.403 -14.997 1.00 0.00 C ATOM 0 H VAL A 74 -4.072 19.090 -14.542 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.165 18.290 -17.213 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.653 18.235 -16.831 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.584 16.646 -14.883 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.215 16.369 -15.986 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.964 17.247 -14.459 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.569 18.957 -14.613 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.973 19.607 -14.169 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.889 20.335 -15.510 1.00 0.00 H new ATOM 956 N ASP A 75 -5.204 21.397 -16.738 1.00 0.00 N ATOM 957 CA ASP A 75 -5.499 22.651 -17.423 1.00 0.00 C ATOM 958 C ASP A 75 -4.212 23.217 -18.027 1.00 0.00 C ATOM 959 O ASP A 75 -4.264 24.121 -18.862 1.00 0.00 O ATOM 960 CB ASP A 75 -6.102 23.645 -16.400 1.00 0.00 C ATOM 961 CG ASP A 75 -7.410 23.085 -15.822 1.00 0.00 C ATOM 962 OD1 ASP A 75 -8.166 22.496 -16.579 1.00 0.00 O ATOM 963 OD2 ASP A 75 -7.637 23.255 -14.633 1.00 0.00 O ATOM 0 H ASP A 75 -5.213 21.461 -15.720 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.215 22.484 -18.228 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.389 23.827 -15.596 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.290 24.604 -16.882 1.00 0.00 H new ATOM 968 N GLY A 76 -3.049 22.691 -17.595 1.00 0.00 N ATOM 969 CA GLY A 76 -1.755 23.166 -18.099 1.00 0.00 C ATOM 970 C GLY A 76 -1.512 24.613 -17.684 1.00 0.00 C ATOM 971 O GLY A 76 -0.750 25.331 -18.338 1.00 0.00 O ATOM 0 H GLY A 76 -2.984 21.944 -16.904 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.955 22.533 -17.715 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.731 23.085 -19.186 1.00 0.00 H new ATOM 975 N ASP A 77 -2.174 25.046 -16.592 1.00 0.00 N ATOM 976 CA ASP A 77 -2.036 26.430 -16.083 1.00 0.00 C ATOM 977 C ASP A 77 -0.898 26.518 -15.069 1.00 0.00 C ATOM 978 O ASP A 77 -0.482 27.617 -14.724 1.00 0.00 O ATOM 979 CB ASP A 77 -3.369 26.871 -15.428 1.00 0.00 C ATOM 980 CG ASP A 77 -3.818 25.872 -14.352 1.00 0.00 C ATOM 981 OD1 ASP A 77 -3.044 24.989 -14.000 1.00 0.00 O ATOM 982 OD2 ASP A 77 -4.939 26.007 -13.894 1.00 0.00 O ATOM 0 H ASP A 77 -2.807 24.462 -16.046 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.803 27.093 -16.916 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.249 27.859 -14.983 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.141 26.957 -16.192 1.00 0.00 H new ATOM 987 N ARG A 78 -0.432 25.348 -14.586 1.00 0.00 N ATOM 988 CA ARG A 78 0.658 25.252 -13.591 1.00 0.00 C ATOM 989 C ARG A 78 0.188 25.695 -12.213 1.00 0.00 C ATOM 990 O ARG A 78 0.990 25.780 -11.279 1.00 0.00 O ATOM 991 CB ARG A 78 1.899 26.097 -14.026 1.00 0.00 C ATOM 992 CG ARG A 78 2.360 25.658 -15.444 1.00 0.00 C ATOM 993 CD ARG A 78 3.525 26.544 -15.921 1.00 0.00 C ATOM 994 NE ARG A 78 3.063 27.938 -16.044 1.00 0.00 N ATOM 995 CZ ARG A 78 3.879 28.922 -16.444 1.00 0.00 C ATOM 996 NH1 ARG A 78 5.121 28.653 -16.746 1.00 0.00 N ATOM 997 NH2 ARG A 78 3.438 30.148 -16.530 1.00 0.00 N ATOM 0 H ARG A 78 -0.801 24.442 -14.875 1.00 0.00 H new ATOM 0 HA ARG A 78 0.952 24.204 -13.538 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.647 27.157 -14.027 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.711 25.963 -13.311 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.671 24.614 -15.426 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.528 25.731 -16.144 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.354 26.485 -15.215 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.898 26.187 -16.881 1.00 0.00 H new ATOM 0 HE ARG A 78 2.093 28.160 -15.818 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.467 27.696 -16.677 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.745 29.400 -17.051 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.469 30.359 -16.292 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.063 30.894 -16.835 1.00 0.00 H new ATOM 1011 N VAL A 79 -1.120 25.977 -12.087 1.00 0.00 N ATOM 1012 CA VAL A 79 -1.720 26.404 -10.809 1.00 0.00 C ATOM 1013 C VAL A 79 -3.094 25.757 -10.667 1.00 0.00 C ATOM 1014 O VAL A 79 -3.936 25.860 -11.557 1.00 0.00 O ATOM 1015 CB VAL A 79 -1.852 27.956 -10.755 1.00 0.00 C ATOM 1016 CG1 VAL A 79 -2.297 28.415 -9.328 1.00 0.00 C ATOM 1017 CG2 VAL A 79 -0.491 28.613 -11.129 1.00 0.00 C ATOM 0 H VAL A 79 -1.785 25.917 -12.858 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.076 26.090 -9.987 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.610 28.271 -11.472 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.385 29.501 -9.306 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.261 27.968 -9.086 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.555 28.096 -8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.588 29.698 -11.090 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.275 28.291 -10.423 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.205 28.310 -12.136 1.00 0.00 H new ATOM 1027 N LEU A 80 -3.309 25.097 -9.533 1.00 0.00 N ATOM 1028 CA LEU A 80 -4.562 24.420 -9.214 1.00 0.00 C ATOM 1029 C LEU A 80 -4.875 24.626 -7.725 1.00 0.00 C ATOM 1030 O LEU A 80 -3.989 24.470 -6.869 1.00 0.00 O ATOM 1031 CB LEU A 80 -4.421 22.896 -9.528 1.00 0.00 C ATOM 1032 CG LEU A 80 -2.985 22.335 -9.126 1.00 0.00 C ATOM 1033 CD1 LEU A 80 -3.107 20.932 -8.472 1.00 0.00 C ATOM 1034 CD2 LEU A 80 -2.055 22.256 -10.375 1.00 0.00 C ATOM 0 H LEU A 80 -2.606 25.016 -8.798 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.374 24.831 -9.814 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.190 22.342 -8.990 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.592 22.727 -10.591 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.547 23.023 -8.403 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.115 20.567 -8.205 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.722 21.001 -7.575 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.570 20.241 -9.177 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.080 21.871 -10.078 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.498 21.591 -11.117 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.937 23.251 -10.804 1.00 0.00 H new ATOM 1046 N ASP A 81 -6.135 24.954 -7.418 1.00 0.00 N ATOM 1047 CA ASP A 81 -6.615 25.158 -6.045 1.00 0.00 C ATOM 1048 C ASP A 81 -7.409 23.934 -5.604 1.00 0.00 C ATOM 1049 O ASP A 81 -7.404 22.907 -6.281 1.00 0.00 O ATOM 1050 CB ASP A 81 -7.498 26.421 -6.010 1.00 0.00 C ATOM 1051 CG ASP A 81 -6.695 27.618 -6.528 1.00 0.00 C ATOM 1052 OD1 ASP A 81 -5.718 27.968 -5.883 1.00 0.00 O ATOM 1053 OD2 ASP A 81 -7.055 28.157 -7.560 1.00 0.00 O ATOM 0 H ASP A 81 -6.859 25.087 -8.124 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.775 25.292 -5.363 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.387 26.273 -6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.840 26.611 -4.993 1.00 0.00 H new ATOM 1058 N ALA A 82 -8.115 24.070 -4.473 1.00 0.00 N ATOM 1059 CA ALA A 82 -8.953 22.995 -3.912 1.00 0.00 C ATOM 1060 C ALA A 82 -9.834 22.307 -4.980 1.00 0.00 C ATOM 1061 O ALA A 82 -10.362 21.219 -4.746 1.00 0.00 O ATOM 1062 CB ALA A 82 -9.855 23.575 -2.802 1.00 0.00 C ATOM 0 H ALA A 82 -8.123 24.927 -3.920 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.281 22.238 -3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.476 22.781 -2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.234 24.001 -2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.493 24.353 -3.221 1.00 0.00 H new ATOM 1068 N GLU A 83 -9.995 22.973 -6.135 1.00 0.00 N ATOM 1069 CA GLU A 83 -10.837 22.432 -7.209 1.00 0.00 C ATOM 1070 C GLU A 83 -10.213 21.157 -7.819 1.00 0.00 C ATOM 1071 O GLU A 83 -10.800 20.078 -7.746 1.00 0.00 O ATOM 1072 CB GLU A 83 -10.988 23.530 -8.308 1.00 0.00 C ATOM 1073 CG GLU A 83 -12.032 23.105 -9.380 1.00 0.00 C ATOM 1074 CD GLU A 83 -12.185 24.188 -10.458 1.00 0.00 C ATOM 1075 OE1 GLU A 83 -11.346 24.238 -11.341 1.00 0.00 O ATOM 1076 OE2 GLU A 83 -13.143 24.945 -10.384 1.00 0.00 O ATOM 0 H GLU A 83 -9.561 23.872 -6.345 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.811 22.159 -6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.295 24.470 -7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.024 23.708 -8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.723 22.168 -9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.995 22.923 -8.903 1.00 0.00 H new ATOM 1083 N GLU A 84 -9.011 21.298 -8.400 1.00 0.00 N ATOM 1084 CA GLU A 84 -8.259 20.171 -9.012 1.00 0.00 C ATOM 1085 C GLU A 84 -7.406 19.439 -7.963 1.00 0.00 C ATOM 1086 O GLU A 84 -7.034 18.267 -8.150 1.00 0.00 O ATOM 1087 CB GLU A 84 -7.345 20.705 -10.180 1.00 0.00 C ATOM 1088 CG GLU A 84 -8.103 20.800 -11.537 1.00 0.00 C ATOM 1089 CD GLU A 84 -9.243 21.816 -11.445 1.00 0.00 C ATOM 1090 OE1 GLU A 84 -8.991 22.904 -10.955 1.00 0.00 O ATOM 1091 OE2 GLU A 84 -10.345 21.491 -11.856 1.00 0.00 O ATOM 0 H GLU A 84 -8.526 22.193 -8.463 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.979 19.460 -9.416 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.959 21.689 -9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.485 20.045 -10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.411 21.092 -12.327 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.501 19.822 -11.807 1.00 0.00 H new ATOM 1098 N GLN A 85 -7.101 20.129 -6.861 1.00 0.00 N ATOM 1099 CA GLN A 85 -6.267 19.547 -5.796 1.00 0.00 C ATOM 1100 C GLN A 85 -6.899 18.276 -5.240 1.00 0.00 C ATOM 1101 O GLN A 85 -6.189 17.360 -4.824 1.00 0.00 O ATOM 1102 CB GLN A 85 -6.091 20.557 -4.636 1.00 0.00 C ATOM 1103 CG GLN A 85 -5.041 20.061 -3.599 1.00 0.00 C ATOM 1104 CD GLN A 85 -4.927 21.034 -2.431 1.00 0.00 C ATOM 1105 OE1 GLN A 85 -5.446 20.767 -1.345 1.00 0.00 O ATOM 1106 NE2 GLN A 85 -4.305 22.157 -2.601 1.00 0.00 N ATOM 0 H GLN A 85 -7.414 21.083 -6.680 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.297 19.308 -6.233 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.780 21.522 -5.037 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.049 20.712 -4.139 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.326 19.076 -3.230 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.070 19.952 -4.082 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.878 22.372 -3.502 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.242 22.826 -1.834 1.00 0.00 H new ATOM 1115 N MET A 86 -8.238 18.240 -5.200 1.00 0.00 N ATOM 1116 CA MET A 86 -8.943 17.083 -4.649 1.00 0.00 C ATOM 1117 C MET A 86 -8.578 15.826 -5.429 1.00 0.00 C ATOM 1118 O MET A 86 -8.286 14.784 -4.843 1.00 0.00 O ATOM 1119 CB MET A 86 -10.479 17.316 -4.701 1.00 0.00 C ATOM 1120 CG MET A 86 -11.244 16.143 -4.015 1.00 0.00 C ATOM 1121 SD MET A 86 -13.023 16.520 -3.975 1.00 0.00 S ATOM 1122 CE MET A 86 -13.101 17.341 -2.360 1.00 0.00 C ATOM 0 H MET A 86 -8.844 18.988 -5.538 1.00 0.00 H new ATOM 0 HA MET A 86 -8.642 16.952 -3.609 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.725 18.255 -4.205 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.802 17.409 -5.738 1.00 0.00 H new ATOM 0 HG2 MET A 86 -11.070 15.214 -4.559 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.870 15.994 -3.002 1.00 0.00 H new ATOM 0 HE1 MET A 86 -14.127 17.648 -2.157 1.00 0.00 H new ATOM 0 HE2 MET A 86 -12.769 16.651 -1.585 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.454 18.218 -2.366 1.00 0.00 H new ATOM 1132 N LYS A 87 -8.632 15.932 -6.757 1.00 0.00 N ATOM 1133 CA LYS A 87 -8.348 14.792 -7.630 1.00 0.00 C ATOM 1134 C LYS A 87 -6.947 14.261 -7.377 1.00 0.00 C ATOM 1135 O LYS A 87 -6.728 13.047 -7.383 1.00 0.00 O ATOM 1136 CB LYS A 87 -8.468 15.210 -9.109 1.00 0.00 C ATOM 1137 CG LYS A 87 -9.894 15.777 -9.418 1.00 0.00 C ATOM 1138 CD LYS A 87 -10.136 15.830 -10.962 1.00 0.00 C ATOM 1139 CE LYS A 87 -9.015 16.630 -11.687 1.00 0.00 C ATOM 1140 NZ LYS A 87 -9.494 17.023 -13.038 1.00 0.00 N ATOM 0 H LYS A 87 -8.869 16.793 -7.251 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.074 14.009 -7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.715 15.964 -9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.267 14.352 -9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.651 15.151 -8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.995 16.776 -8.993 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.177 14.816 -11.360 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.103 16.291 -11.164 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.751 17.516 -11.109 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.113 16.023 -11.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.700 17.406 -13.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.883 16.190 -13.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.234 17.748 -12.947 1.00 0.00 H new ATOM 1154 N MET A 88 -6.004 15.182 -7.143 1.00 0.00 N ATOM 1155 CA MET A 88 -4.625 14.798 -6.870 1.00 0.00 C ATOM 1156 C MET A 88 -4.531 14.067 -5.527 1.00 0.00 C ATOM 1157 O MET A 88 -4.061 12.934 -5.466 1.00 0.00 O ATOM 1158 CB MET A 88 -3.731 16.072 -6.854 1.00 0.00 C ATOM 1159 CG MET A 88 -2.249 15.704 -6.527 1.00 0.00 C ATOM 1160 SD MET A 88 -1.145 17.089 -6.892 1.00 0.00 S ATOM 1161 CE MET A 88 0.385 16.298 -6.328 1.00 0.00 C ATOM 0 H MET A 88 -6.174 16.188 -7.138 1.00 0.00 H new ATOM 0 HA MET A 88 -4.278 14.122 -7.652 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.782 16.570 -7.822 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.108 16.777 -6.113 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.161 15.431 -5.475 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.950 14.832 -7.109 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.239 16.772 -6.811 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.473 16.406 -5.247 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.364 15.239 -6.586 1.00 0.00 H new ATOM 1171 N ALA A 89 -4.985 14.726 -4.451 1.00 0.00 N ATOM 1172 CA ALA A 89 -4.938 14.140 -3.100 1.00 0.00 C ATOM 1173 C ALA A 89 -5.658 12.792 -3.066 1.00 0.00 C ATOM 1174 O ALA A 89 -5.261 11.882 -2.336 1.00 0.00 O ATOM 1175 CB ALA A 89 -5.586 15.114 -2.086 1.00 0.00 C ATOM 0 H ALA A 89 -5.388 15.662 -4.488 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.895 13.976 -2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.550 14.677 -1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.041 16.058 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.624 15.293 -2.366 1.00 0.00 H new ATOM 1181 N HIS A 90 -6.724 12.678 -3.867 1.00 0.00 N ATOM 1182 CA HIS A 90 -7.509 11.441 -3.933 1.00 0.00 C ATOM 1183 C HIS A 90 -6.649 10.267 -4.434 1.00 0.00 C ATOM 1184 O HIS A 90 -6.634 9.198 -3.819 1.00 0.00 O ATOM 1185 CB HIS A 90 -8.724 11.647 -4.881 1.00 0.00 C ATOM 1186 CG HIS A 90 -9.611 10.420 -4.864 1.00 0.00 C ATOM 1187 ND1 HIS A 90 -10.398 10.110 -3.770 1.00 0.00 N ATOM 1188 CD2 HIS A 90 -9.790 9.399 -5.760 1.00 0.00 C ATOM 1189 CE1 HIS A 90 -11.010 8.943 -4.027 1.00 0.00 C ATOM 1190 NE2 HIS A 90 -10.676 8.466 -5.229 1.00 0.00 N ATOM 0 H HIS A 90 -7.061 13.424 -4.476 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.861 11.201 -2.930 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.294 12.522 -4.569 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.375 11.839 -5.896 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -9.317 9.329 -6.728 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -11.688 8.451 -3.346 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -11.001 7.603 -5.665 1.00 0.00 H new ATOM 1198 N ASP A 91 -5.957 10.468 -5.566 1.00 0.00 N ATOM 1199 CA ASP A 91 -5.122 9.413 -6.163 1.00 0.00 C ATOM 1200 C ASP A 91 -3.971 9.022 -5.227 1.00 0.00 C ATOM 1201 O ASP A 91 -3.603 7.851 -5.142 1.00 0.00 O ATOM 1202 CB ASP A 91 -4.550 9.915 -7.517 1.00 0.00 C ATOM 1203 CG ASP A 91 -3.779 8.797 -8.238 1.00 0.00 C ATOM 1204 OD1 ASP A 91 -4.426 7.970 -8.860 1.00 0.00 O ATOM 1205 OD2 ASP A 91 -2.561 8.781 -8.146 1.00 0.00 O ATOM 0 H ASP A 91 -5.958 11.346 -6.084 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.741 8.531 -6.325 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.363 10.268 -8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.889 10.764 -7.344 1.00 0.00 H new ATOM 1210 N LEU A 92 -3.430 10.018 -4.533 1.00 0.00 N ATOM 1211 CA LEU A 92 -2.323 9.809 -3.592 1.00 0.00 C ATOM 1212 C LEU A 92 -2.789 9.022 -2.386 1.00 0.00 C ATOM 1213 O LEU A 92 -1.986 8.334 -1.746 1.00 0.00 O ATOM 1214 CB LEU A 92 -1.742 11.180 -3.163 1.00 0.00 C ATOM 1215 CG LEU A 92 -1.092 11.930 -4.383 1.00 0.00 C ATOM 1216 CD1 LEU A 92 -0.663 13.355 -3.951 1.00 0.00 C ATOM 1217 CD2 LEU A 92 0.142 11.142 -4.959 1.00 0.00 C ATOM 0 H LEU A 92 -3.740 10.987 -4.602 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.541 9.232 -4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.533 11.795 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.995 11.033 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.838 11.997 -5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.213 13.872 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.537 13.910 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.063 13.286 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.564 11.692 -5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.898 11.032 -4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.180 10.156 -5.294 1.00 0.00 H new ATOM 1229 N GLU A 93 -4.076 9.127 -2.055 1.00 0.00 N ATOM 1230 CA GLU A 93 -4.620 8.409 -0.904 1.00 0.00 C ATOM 1231 C GLU A 93 -4.850 6.937 -1.260 1.00 0.00 C ATOM 1232 O GLU A 93 -4.435 6.035 -0.524 1.00 0.00 O ATOM 1233 CB GLU A 93 -5.961 9.070 -0.464 1.00 0.00 C ATOM 1234 CG GLU A 93 -6.450 8.501 0.907 1.00 0.00 C ATOM 1235 CD GLU A 93 -5.481 8.882 2.039 1.00 0.00 C ATOM 1236 OE1 GLU A 93 -4.911 9.963 1.972 1.00 0.00 O ATOM 1237 OE2 GLU A 93 -5.295 8.074 2.934 1.00 0.00 O ATOM 0 H GLU A 93 -4.754 9.696 -2.562 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.907 8.460 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.829 10.149 -0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.722 8.896 -1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.445 8.886 1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.534 7.416 0.845 1.00 0.00 H new ATOM 1244 N GLY A 94 -5.516 6.704 -2.400 1.00 0.00 N ATOM 1245 CA GLY A 94 -5.825 5.344 -2.860 1.00 0.00 C ATOM 1246 C GLY A 94 -4.560 4.591 -3.213 1.00 0.00 C ATOM 1247 O GLY A 94 -4.559 3.361 -3.311 1.00 0.00 O ATOM 0 H GLY A 94 -5.851 7.441 -3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.367 4.807 -2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.480 5.390 -3.730 1.00 0.00 H new ATOM 1251 N GLN A 95 -3.470 5.343 -3.412 1.00 0.00 N ATOM 1252 CA GLN A 95 -2.175 4.750 -3.770 1.00 0.00 C ATOM 1253 C GLN A 95 -1.712 3.775 -2.687 1.00 0.00 C ATOM 1254 O GLN A 95 -1.147 2.724 -2.982 1.00 0.00 O ATOM 1255 CB GLN A 95 -1.081 5.872 -3.963 1.00 0.00 C ATOM 1256 CG GLN A 95 -0.061 5.484 -5.085 1.00 0.00 C ATOM 1257 CD GLN A 95 -0.723 5.623 -6.461 1.00 0.00 C ATOM 1258 OE1 GLN A 95 -1.123 6.722 -6.835 1.00 0.00 O ATOM 1259 NE2 GLN A 95 -0.894 4.578 -7.219 1.00 0.00 N ATOM 0 H GLN A 95 -3.459 6.360 -3.332 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.304 4.211 -4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.565 6.815 -4.218 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.550 6.030 -3.024 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.818 6.126 -5.028 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.282 4.460 -4.938 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.562 3.664 -6.910 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.359 4.673 -8.122 1.00 0.00 H new ATOM 1268 N LYS A 96 -1.939 4.158 -1.426 1.00 0.00 N ATOM 1269 CA LYS A 96 -1.518 3.331 -0.291 1.00 0.00 C ATOM 1270 C LYS A 96 -2.140 1.937 -0.376 1.00 0.00 C ATOM 1271 O LYS A 96 -1.432 0.934 -0.329 1.00 0.00 O ATOM 1272 CB LYS A 96 -1.969 4.005 1.023 1.00 0.00 C ATOM 1273 CG LYS A 96 -1.288 5.395 1.193 1.00 0.00 C ATOM 1274 CD LYS A 96 -1.785 6.102 2.497 1.00 0.00 C ATOM 1275 CE LYS A 96 -1.288 5.379 3.779 1.00 0.00 C ATOM 1276 NZ LYS A 96 -1.590 6.235 4.954 1.00 0.00 N ATOM 0 H LYS A 96 -2.407 5.027 -1.167 1.00 0.00 H new ATOM 0 HA LYS A 96 -0.433 3.233 -0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.053 4.123 1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.718 3.366 1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.206 5.272 1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.508 6.021 0.328 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.435 7.134 2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.875 6.134 2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.778 4.411 3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.217 5.189 3.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.262 5.763 5.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.103 7.149 4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.616 6.394 5.013 1.00 0.00 H new ATOM 1290 N SER A 97 -3.472 1.892 -0.514 1.00 0.00 N ATOM 1291 CA SER A 97 -4.201 0.625 -0.604 1.00 0.00 C ATOM 1292 C SER A 97 -3.650 -0.226 -1.744 1.00 0.00 C ATOM 1293 O SER A 97 -3.447 -1.428 -1.587 1.00 0.00 O ATOM 1294 CB SER A 97 -5.693 0.904 -0.855 1.00 0.00 C ATOM 1295 OG SER A 97 -5.848 1.490 -2.143 1.00 0.00 O ATOM 0 H SER A 97 -4.065 2.721 -0.566 1.00 0.00 H new ATOM 0 HA SER A 97 -4.078 0.085 0.335 1.00 0.00 H new ATOM 0 HB2 SER A 97 -6.264 -0.022 -0.792 1.00 0.00 H new ATOM 0 HB3 SER A 97 -6.085 1.573 -0.088 1.00 0.00 H new ATOM 0 HG SER A 97 -5.288 2.291 -2.207 1.00 0.00 H new ATOM 1301 N ASP A 98 -3.386 0.419 -2.886 1.00 0.00 N ATOM 1302 CA ASP A 98 -2.838 -0.279 -4.058 1.00 0.00 C ATOM 1303 C ASP A 98 -1.468 -0.890 -3.730 1.00 0.00 C ATOM 1304 O ASP A 98 -1.220 -2.059 -4.007 1.00 0.00 O ATOM 1305 CB ASP A 98 -2.701 0.708 -5.251 1.00 0.00 C ATOM 1306 CG ASP A 98 -2.187 -0.017 -6.509 1.00 0.00 C ATOM 1307 OD1 ASP A 98 -2.926 -0.831 -7.037 1.00 0.00 O ATOM 1308 OD2 ASP A 98 -1.061 0.241 -6.911 1.00 0.00 O ATOM 0 H ASP A 98 -3.541 1.417 -3.025 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.523 -1.081 -4.332 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.667 1.168 -5.461 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.016 1.513 -4.985 1.00 0.00 H new ATOM 1313 N LEU A 99 -0.584 -0.072 -3.141 1.00 0.00 N ATOM 1314 CA LEU A 99 0.772 -0.513 -2.784 1.00 0.00 C ATOM 1315 C LEU A 99 0.729 -1.632 -1.753 1.00 0.00 C ATOM 1316 O LEU A 99 1.481 -2.599 -1.849 1.00 0.00 O ATOM 1317 CB LEU A 99 1.575 0.694 -2.225 1.00 0.00 C ATOM 1318 CG LEU A 99 1.853 1.775 -3.348 1.00 0.00 C ATOM 1319 CD1 LEU A 99 2.156 3.153 -2.700 1.00 0.00 C ATOM 1320 CD2 LEU A 99 3.063 1.352 -4.250 1.00 0.00 C ATOM 0 H LEU A 99 -0.784 0.899 -2.902 1.00 0.00 H new ATOM 0 HA LEU A 99 1.261 -0.898 -3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.021 1.153 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.521 0.344 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 99 0.960 1.848 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.346 3.889 -3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.301 3.470 -2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.034 3.069 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.232 2.112 -5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.957 1.250 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.843 0.399 -4.731 1.00 0.00 H new ATOM 1332 N ASN A 100 -0.152 -1.493 -0.761 1.00 0.00 N ATOM 1333 CA ASN A 100 -0.274 -2.500 0.298 1.00 0.00 C ATOM 1334 C ASN A 100 -0.497 -3.896 -0.303 1.00 0.00 C ATOM 1335 O ASN A 100 0.217 -4.832 0.028 1.00 0.00 O ATOM 1336 CB ASN A 100 -1.456 -2.128 1.227 1.00 0.00 C ATOM 1337 CG ASN A 100 -1.244 -0.744 1.844 1.00 0.00 C ATOM 1338 OD1 ASN A 100 -2.201 0.008 2.023 1.00 0.00 O ATOM 1339 ND2 ASN A 100 -0.041 -0.356 2.173 1.00 0.00 N ATOM 0 H ASN A 100 -0.787 -0.701 -0.667 1.00 0.00 H new ATOM 0 HA ASN A 100 0.651 -2.520 0.874 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -2.388 -2.141 0.661 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -1.553 -2.873 2.017 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.104 0.569 2.578 1.00 0.00 H new ATOM 0 HD22 ASN A 100 0.754 -0.978 2.025 1.00 0.00 H new ATOM 1346 N ASN A 101 -1.475 -4.003 -1.206 1.00 0.00 N ATOM 1347 CA ASN A 101 -1.784 -5.275 -1.879 1.00 0.00 C ATOM 1348 C ASN A 101 -0.684 -5.653 -2.878 1.00 0.00 C ATOM 1349 O ASN A 101 -0.359 -6.833 -3.034 1.00 0.00 O ATOM 1350 CB ASN A 101 -3.140 -5.157 -2.607 1.00 0.00 C ATOM 1351 CG ASN A 101 -4.254 -4.900 -1.593 1.00 0.00 C ATOM 1352 OD1 ASN A 101 -5.107 -5.760 -1.367 1.00 0.00 O ATOM 1353 ND2 ASN A 101 -4.271 -3.775 -0.947 1.00 0.00 N ATOM 0 H ASN A 101 -2.070 -3.225 -1.491 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.839 -6.061 -1.125 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.103 -4.345 -3.333 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.346 -6.072 -3.162 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.993 -3.599 -0.248 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.563 -3.067 -1.138 1.00 0.00 H new ATOM 1360 N GLN A 102 -0.156 -4.656 -3.597 1.00 0.00 N ATOM 1361 CA GLN A 102 0.873 -4.911 -4.623 1.00 0.00 C ATOM 1362 C GLN A 102 2.145 -5.494 -3.994 1.00 0.00 C ATOM 1363 O GLN A 102 2.658 -6.520 -4.444 1.00 0.00 O ATOM 1364 CB GLN A 102 1.206 -3.592 -5.371 1.00 0.00 C ATOM 1365 CG GLN A 102 2.060 -3.860 -6.643 1.00 0.00 C ATOM 1366 CD GLN A 102 2.381 -2.555 -7.382 1.00 0.00 C ATOM 1367 OE1 GLN A 102 1.888 -1.481 -7.025 1.00 0.00 O ATOM 1368 NE2 GLN A 102 3.170 -2.596 -8.417 1.00 0.00 N ATOM 0 H GLN A 102 -0.417 -3.675 -3.493 1.00 0.00 H new ATOM 0 HA GLN A 102 0.480 -5.640 -5.331 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.281 -3.088 -5.652 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.746 -2.920 -4.704 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.987 -4.360 -6.363 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.523 -4.535 -7.309 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.578 -3.483 -8.713 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.380 -1.741 -8.932 1.00 0.00 H new ATOM 1377 N LEU A 103 2.663 -4.812 -2.965 1.00 0.00 N ATOM 1378 CA LEU A 103 3.897 -5.238 -2.281 1.00 0.00 C ATOM 1379 C LEU A 103 3.645 -6.450 -1.390 1.00 0.00 C ATOM 1380 O LEU A 103 4.554 -6.895 -0.682 1.00 0.00 O ATOM 1381 CB LEU A 103 4.482 -4.035 -1.445 1.00 0.00 C ATOM 1382 CG LEU A 103 5.369 -3.077 -2.327 1.00 0.00 C ATOM 1383 CD1 LEU A 103 6.672 -3.804 -2.844 1.00 0.00 C ATOM 1384 CD2 LEU A 103 4.530 -2.510 -3.518 1.00 0.00 C ATOM 0 H LEU A 103 2.248 -3.961 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 103 4.628 -5.535 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.662 -3.467 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.079 -4.424 -0.620 1.00 0.00 H new ATOM 0 HG LEU A 103 5.693 -2.244 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.259 -3.113 -3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.266 -4.135 -1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.392 -4.667 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.154 -1.849 -4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.172 -3.334 -4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.679 -1.951 -3.130 1.00 0.00 H new