USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 659 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 61 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= -0.0126 USER MOD Single : A 13 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.5!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0578 K(o=-0.058,f=-0.7) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.547 K(o=-0.55,f=-4.9!) USER MOD Single : A 47 SER OG : rot -80:sc= 1.16 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= 0.766 (180deg=0.582) USER MOD Single : A 60 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.21) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc=-0.00556 K(o=-0.0056,f=-1.2!) USER MOD Single : A 74 MET CE :methyl -172:sc= -2.14 (180deg=-2.3) USER MOD Single : A 76 SER OG : rot 180:sc= -0.933 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -138:sc= -0.0661 (180deg=-0.595) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N ILE A 9 0.998 5.196 3.687 1.00 1.00 N ATOM 142 CA ILE A 9 0.957 4.483 2.409 1.00 1.00 C ATOM 143 C ILE A 9 1.001 5.471 1.241 1.00 1.00 C ATOM 144 O ILE A 9 0.146 6.343 1.085 1.00 1.00 O ATOM 145 CB ILE A 9 -0.326 3.614 2.318 1.00 1.00 C ATOM 146 CG1 ILE A 9 -0.524 2.798 3.638 1.00 1.00 C ATOM 147 CG2 ILE A 9 -0.232 2.650 1.105 1.00 1.00 C ATOM 148 CD1 ILE A 9 0.720 1.956 4.000 1.00 1.00 C ATOM 0 HA ILE A 9 1.830 3.833 2.351 1.00 1.00 H new ATOM 0 HB ILE A 9 -1.184 4.272 2.182 1.00 1.00 H new ATOM 0 HG12 ILE A 9 -0.747 3.483 4.456 1.00 1.00 H new ATOM 0 HG13 ILE A 9 -1.386 2.140 3.530 1.00 1.00 H new ATOM 0 HG21 ILE A 9 -1.137 2.045 1.050 1.00 1.00 H new ATOM 0 HG22 ILE A 9 -0.126 3.229 0.187 1.00 1.00 H new ATOM 0 HG23 ILE A 9 0.634 1.998 1.224 1.00 1.00 H new ATOM 0 HD11 ILE A 9 0.533 1.408 4.924 1.00 1.00 H new ATOM 0 HD12 ILE A 9 0.928 1.250 3.196 1.00 1.00 H new ATOM 0 HD13 ILE A 9 1.578 2.614 4.136 1.00 1.00 H new ATOM 160 N VAL A 10 2.018 5.315 0.399 1.00 1.00 N ATOM 161 CA VAL A 10 2.186 6.194 -0.782 1.00 1.00 C ATOM 162 C VAL A 10 1.896 5.415 -2.056 1.00 1.00 C ATOM 163 O VAL A 10 2.222 4.236 -2.180 1.00 1.00 O ATOM 164 CB VAL A 10 3.634 6.772 -0.813 1.00 1.00 C ATOM 165 CG1 VAL A 10 4.678 5.675 -1.127 1.00 1.00 C ATOM 166 CG2 VAL A 10 3.742 7.903 -1.873 1.00 1.00 C ATOM 0 H VAL A 10 2.738 4.600 0.500 1.00 1.00 H new ATOM 0 HA VAL A 10 1.481 7.023 -0.714 1.00 1.00 H new ATOM 0 HB VAL A 10 3.845 7.175 0.178 1.00 1.00 H new ATOM 0 HG11 VAL A 10 5.675 6.115 -1.140 1.00 1.00 H new ATOM 0 HG12 VAL A 10 4.633 4.900 -0.361 1.00 1.00 H new ATOM 0 HG13 VAL A 10 4.462 5.236 -2.101 1.00 1.00 H new ATOM 0 HG21 VAL A 10 4.758 8.297 -1.883 1.00 1.00 H new ATOM 0 HG22 VAL A 10 3.498 7.504 -2.857 1.00 1.00 H new ATOM 0 HG23 VAL A 10 3.045 8.703 -1.623 1.00 1.00 H new ATOM 176 N LEU A 11 1.296 6.085 -3.035 1.00 1.00 N ATOM 177 CA LEU A 11 0.972 5.434 -4.322 1.00 1.00 C ATOM 178 C LEU A 11 1.961 5.882 -5.404 1.00 1.00 C ATOM 179 O LEU A 11 2.130 7.072 -5.666 1.00 1.00 O ATOM 180 CB LEU A 11 -0.495 5.765 -4.740 1.00 1.00 C ATOM 181 CG LEU A 11 -1.152 4.554 -5.486 1.00 1.00 C ATOM 182 CD1 LEU A 11 -2.548 4.938 -5.973 1.00 1.00 C ATOM 183 CD2 LEU A 11 -0.281 4.102 -6.693 1.00 1.00 C ATOM 0 H LEU A 11 1.023 7.066 -2.974 1.00 1.00 H new ATOM 0 HA LEU A 11 1.058 4.354 -4.204 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -1.082 6.014 -3.856 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -0.504 6.643 -5.386 1.00 1.00 H new ATOM 0 HG LEU A 11 -1.226 3.723 -4.785 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.998 4.091 -6.491 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -3.168 5.213 -5.120 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.475 5.784 -6.656 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -0.760 3.260 -7.193 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -0.176 4.929 -7.395 1.00 1.00 H new ATOM 0 HD23 LEU A 11 0.704 3.800 -6.338 1.00 1.00 H new ATOM 195 N ARG A 12 2.616 4.915 -6.039 1.00 1.00 N ATOM 196 CA ARG A 12 3.592 5.187 -7.107 1.00 1.00 C ATOM 197 C ARG A 12 2.994 4.821 -8.460 1.00 1.00 C ATOM 198 O ARG A 12 2.135 3.949 -8.586 1.00 1.00 O ATOM 199 CB ARG A 12 4.888 4.383 -6.857 1.00 1.00 C ATOM 200 CG ARG A 12 5.969 4.727 -7.920 1.00 1.00 C ATOM 201 CD ARG A 12 7.303 4.060 -7.564 1.00 1.00 C ATOM 202 NE ARG A 12 7.794 4.606 -6.296 1.00 1.00 N ATOM 203 CZ ARG A 12 8.944 4.206 -5.748 1.00 1.00 C ATOM 204 NH1 ARG A 12 9.682 3.302 -6.335 1.00 1.00 N ATOM 205 NH2 ARG A 12 9.331 4.725 -4.617 1.00 1.00 N ATOM 0 H ARG A 12 2.491 3.923 -5.835 1.00 1.00 H new ATOM 0 HA ARG A 12 3.836 6.249 -7.106 1.00 1.00 H new ATOM 0 HB2 ARG A 12 5.270 4.602 -5.860 1.00 1.00 H new ATOM 0 HB3 ARG A 12 4.670 3.315 -6.887 1.00 1.00 H new ATOM 0 HG2 ARG A 12 5.640 4.393 -8.904 1.00 1.00 H new ATOM 0 HG3 ARG A 12 6.100 5.808 -7.978 1.00 1.00 H new ATOM 0 HD2 ARG A 12 7.173 2.981 -7.482 1.00 1.00 H new ATOM 0 HD3 ARG A 12 8.032 4.234 -8.355 1.00 1.00 H new ATOM 0 HE ARG A 12 7.239 5.315 -5.816 1.00 1.00 H new ATOM 0 HH11 ARG A 12 9.381 2.895 -7.221 1.00 1.00 H new ATOM 0 HH12 ARG A 12 10.559 3.003 -5.908 1.00 1.00 H new ATOM 0 HH21 ARG A 12 8.757 5.431 -4.157 1.00 1.00 H new ATOM 0 HH22 ARG A 12 10.208 4.425 -4.192 1.00 1.00 H new ATOM 219 N ASN A 13 3.462 5.512 -9.494 1.00 1.00 N ATOM 220 CA ASN A 13 3.000 5.276 -10.851 1.00 1.00 C ATOM 221 C ASN A 13 1.481 5.420 -10.938 1.00 1.00 C ATOM 222 O ASN A 13 0.781 4.602 -11.536 1.00 1.00 O ATOM 223 CB ASN A 13 3.461 3.880 -11.321 1.00 1.00 C ATOM 224 CG ASN A 13 3.378 3.774 -12.844 1.00 1.00 C ATOM 225 OD1 ASN A 13 2.404 4.228 -13.442 1.00 1.00 O ATOM 226 ND2 ASN A 13 4.346 3.202 -13.505 1.00 1.00 N ATOM 0 H ASN A 13 4.167 6.245 -9.413 1.00 1.00 H new ATOM 0 HA ASN A 13 3.436 6.025 -11.513 1.00 1.00 H new ATOM 0 HB2 ASN A 13 4.485 3.699 -10.993 1.00 1.00 H new ATOM 0 HB3 ASN A 13 2.839 3.111 -10.862 1.00 1.00 H new ATOM 0 HD21 ASN A 13 4.297 3.130 -14.521 1.00 1.00 H new ATOM 0 HD22 ASN A 13 5.152 2.827 -13.006 1.00 1.00 H new ATOM 233 N LEU A 14 0.975 6.493 -10.340 1.00 1.00 N ATOM 234 CA LEU A 14 -0.490 6.775 -10.350 1.00 1.00 C ATOM 235 C LEU A 14 -0.921 7.507 -11.656 1.00 1.00 C ATOM 236 O LEU A 14 -0.758 8.726 -11.714 1.00 1.00 O ATOM 237 CB LEU A 14 -0.845 7.678 -9.121 1.00 1.00 C ATOM 238 CG LEU A 14 -2.333 8.212 -9.160 1.00 1.00 C ATOM 239 CD1 LEU A 14 -3.348 7.067 -9.453 1.00 1.00 C ATOM 240 CD2 LEU A 14 -2.677 8.899 -7.822 1.00 1.00 C ATOM 0 H LEU A 14 1.535 7.186 -9.843 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.021 5.824 -10.298 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -0.692 7.110 -8.203 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -0.161 8.526 -9.090 1.00 1.00 H new ATOM 0 HG LEU A 14 -2.410 8.936 -9.972 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -4.359 7.473 -9.472 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -3.120 6.617 -10.419 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -3.276 6.309 -8.673 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -3.703 9.265 -7.854 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -2.573 8.182 -7.008 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -1.998 9.736 -7.658 1.00 1.00 H new ATOM 252 N PRO A 15 -1.490 6.841 -12.623 1.00 1.00 N ATOM 253 CA PRO A 15 -1.952 7.572 -13.858 1.00 1.00 C ATOM 254 C PRO A 15 -3.024 8.615 -13.511 1.00 1.00 C ATOM 255 O PRO A 15 -4.098 8.271 -13.018 1.00 1.00 O ATOM 256 CB PRO A 15 -2.549 6.459 -14.763 1.00 1.00 C ATOM 257 CG PRO A 15 -1.907 5.206 -14.262 1.00 1.00 C ATOM 258 CD PRO A 15 -1.808 5.393 -12.741 1.00 1.00 C ATOM 0 HA PRO A 15 -1.141 8.117 -14.341 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -3.635 6.414 -14.677 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -2.319 6.633 -15.814 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -2.503 4.329 -14.514 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -0.923 5.061 -14.707 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -2.741 5.139 -12.238 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -1.029 4.768 -12.304 1.00 1.00 H new ATOM 266 N GLU A 16 -2.766 9.889 -13.789 1.00 1.00 N ATOM 267 CA GLU A 16 -3.722 10.966 -13.509 1.00 1.00 C ATOM 268 C GLU A 16 -5.126 10.613 -14.010 1.00 1.00 C ATOM 269 O GLU A 16 -6.108 10.705 -13.273 1.00 1.00 O ATOM 270 CB GLU A 16 -3.223 12.280 -14.173 1.00 1.00 C ATOM 271 CG GLU A 16 -3.068 12.108 -15.717 1.00 1.00 C ATOM 272 CD GLU A 16 -2.306 13.288 -16.328 1.00 1.00 C ATOM 273 OE1 GLU A 16 -2.635 14.414 -15.995 1.00 1.00 O ATOM 274 OE2 GLU A 16 -1.414 13.045 -17.127 1.00 1.00 O ATOM 0 H GLU A 16 -1.894 10.208 -14.213 1.00 1.00 H new ATOM 0 HA GLU A 16 -3.786 11.102 -12.429 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -3.926 13.086 -13.963 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -2.266 12.570 -13.739 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -2.540 11.179 -15.932 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -4.052 12.028 -16.178 1.00 1.00 H new ATOM 281 N ASP A 17 -5.220 10.205 -15.271 1.00 1.00 N ATOM 282 CA ASP A 17 -6.513 9.839 -15.897 1.00 1.00 C ATOM 283 C ASP A 17 -7.395 9.010 -14.956 1.00 1.00 C ATOM 284 O ASP A 17 -8.618 8.961 -15.097 1.00 1.00 O ATOM 285 CB ASP A 17 -6.254 9.058 -17.200 1.00 1.00 C ATOM 286 CG ASP A 17 -7.572 8.755 -17.925 1.00 1.00 C ATOM 287 OD1 ASP A 17 -8.351 9.680 -18.095 1.00 1.00 O ATOM 288 OD2 ASP A 17 -7.783 7.610 -18.287 1.00 1.00 O ATOM 0 H ASP A 17 -4.418 10.115 -15.894 1.00 1.00 H new ATOM 0 HA ASP A 17 -7.049 10.762 -16.117 1.00 1.00 H new ATOM 0 HB2 ASP A 17 -5.600 9.637 -17.852 1.00 1.00 H new ATOM 0 HB3 ASP A 17 -5.736 8.126 -16.974 1.00 1.00 H new ATOM 293 N LEU A 18 -6.770 8.367 -13.977 1.00 1.00 N ATOM 294 CA LEU A 18 -7.480 7.545 -12.983 1.00 1.00 C ATOM 295 C LEU A 18 -7.367 8.206 -11.612 1.00 1.00 C ATOM 296 O LEU A 18 -6.353 8.813 -11.266 1.00 1.00 O ATOM 297 CB LEU A 18 -6.872 6.119 -12.957 1.00 1.00 C ATOM 298 CG LEU A 18 -6.793 5.525 -14.400 1.00 1.00 C ATOM 299 CD1 LEU A 18 -6.204 4.087 -14.361 1.00 1.00 C ATOM 300 CD2 LEU A 18 -8.201 5.505 -15.075 1.00 1.00 C ATOM 0 H LEU A 18 -5.759 8.395 -13.843 1.00 1.00 H new ATOM 0 HA LEU A 18 -8.534 7.465 -13.250 1.00 1.00 H new ATOM 0 HB2 LEU A 18 -5.875 6.151 -12.517 1.00 1.00 H new ATOM 0 HB3 LEU A 18 -7.479 5.471 -12.325 1.00 1.00 H new ATOM 0 HG LEU A 18 -6.137 6.164 -14.991 1.00 1.00 H new ATOM 0 HD11 LEU A 18 -6.155 3.686 -15.373 1.00 1.00 H new ATOM 0 HD12 LEU A 18 -5.202 4.116 -13.933 1.00 1.00 H new ATOM 0 HD13 LEU A 18 -6.842 3.449 -13.749 1.00 1.00 H new ATOM 0 HD21 LEU A 18 -8.118 5.087 -16.078 1.00 1.00 H new ATOM 0 HD22 LEU A 18 -8.880 4.893 -14.482 1.00 1.00 H new ATOM 0 HD23 LEU A 18 -8.589 6.522 -15.137 1.00 1.00 H new ATOM 312 N VAL A 19 -8.419 8.080 -10.809 1.00 1.00 N ATOM 313 CA VAL A 19 -8.445 8.675 -9.451 1.00 1.00 C ATOM 314 C VAL A 19 -9.130 7.742 -8.455 1.00 1.00 C ATOM 315 O VAL A 19 -10.010 6.953 -8.797 1.00 1.00 O ATOM 316 CB VAL A 19 -9.169 10.052 -9.475 1.00 1.00 C ATOM 317 CG1 VAL A 19 -8.376 11.065 -10.338 1.00 1.00 C ATOM 318 CG2 VAL A 19 -10.598 9.899 -10.054 1.00 1.00 C ATOM 0 H VAL A 19 -9.269 7.575 -11.062 1.00 1.00 H new ATOM 0 HA VAL A 19 -7.414 8.821 -9.130 1.00 1.00 H new ATOM 0 HB VAL A 19 -9.230 10.421 -8.451 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -8.896 12.023 -10.344 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -7.378 11.197 -9.920 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -8.295 10.689 -11.358 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -11.092 10.870 -10.065 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -10.539 9.511 -11.071 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -11.170 9.208 -9.434 1.00 1.00 H new ATOM 328 N LEU A 20 -8.706 7.848 -7.200 1.00 1.00 N ATOM 329 CA LEU A 20 -9.249 7.035 -6.099 1.00 1.00 C ATOM 330 C LEU A 20 -10.414 7.779 -5.438 1.00 1.00 C ATOM 331 O LEU A 20 -10.261 8.899 -4.951 1.00 1.00 O ATOM 332 CB LEU A 20 -8.096 6.746 -5.052 1.00 1.00 C ATOM 333 CG LEU A 20 -7.639 5.241 -5.086 1.00 1.00 C ATOM 334 CD1 LEU A 20 -6.232 5.085 -4.485 1.00 1.00 C ATOM 335 CD2 LEU A 20 -8.632 4.359 -4.291 1.00 1.00 C ATOM 0 H LEU A 20 -7.976 8.498 -6.909 1.00 1.00 H new ATOM 0 HA LEU A 20 -9.623 6.085 -6.482 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -7.242 7.390 -5.264 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -8.444 6.998 -4.050 1.00 1.00 H new ATOM 0 HG LEU A 20 -7.620 4.920 -6.127 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -5.936 4.036 -4.519 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -5.523 5.681 -5.060 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -6.238 5.427 -3.450 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -8.303 3.320 -4.323 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -8.669 4.696 -3.255 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -9.625 4.439 -4.734 1.00 1.00 H new ATOM 347 N GLU A 21 -11.582 7.146 -5.399 1.00 1.00 N ATOM 348 CA GLU A 21 -12.766 7.740 -4.790 1.00 1.00 C ATOM 349 C GLU A 21 -12.504 8.110 -3.330 1.00 1.00 C ATOM 350 O GLU A 21 -13.060 9.081 -2.817 1.00 1.00 O ATOM 351 CB GLU A 21 -13.958 6.748 -4.881 1.00 1.00 C ATOM 352 CG GLU A 21 -13.569 5.374 -4.276 1.00 1.00 C ATOM 353 CD GLU A 21 -14.764 4.422 -4.298 1.00 1.00 C ATOM 354 OE1 GLU A 21 -15.513 4.466 -5.255 1.00 1.00 O ATOM 355 OE2 GLU A 21 -14.905 3.657 -3.357 1.00 1.00 O ATOM 0 H GLU A 21 -11.734 6.214 -5.785 1.00 1.00 H new ATOM 0 HA GLU A 21 -13.011 8.653 -5.333 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -14.819 7.155 -4.350 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -14.256 6.622 -5.922 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -12.742 4.942 -4.840 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -13.221 5.506 -3.252 1.00 1.00 H new ATOM 362 N LYS A 22 -11.673 7.328 -2.648 1.00 1.00 N ATOM 363 CA LYS A 22 -11.368 7.576 -1.215 1.00 1.00 C ATOM 364 C LYS A 22 -9.929 7.124 -0.868 1.00 1.00 C ATOM 365 O LYS A 22 -9.379 6.257 -1.547 1.00 1.00 O ATOM 366 CB LYS A 22 -12.409 6.804 -0.326 1.00 1.00 C ATOM 367 CG LYS A 22 -13.640 7.689 -0.001 1.00 1.00 C ATOM 368 CD LYS A 22 -14.696 6.906 0.815 1.00 1.00 C ATOM 369 CE LYS A 22 -14.151 6.473 2.203 1.00 1.00 C ATOM 370 NZ LYS A 22 -15.301 6.189 3.101 1.00 1.00 N ATOM 0 H LYS A 22 -11.195 6.520 -3.047 1.00 1.00 H new ATOM 0 HA LYS A 22 -11.438 8.646 -1.019 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -12.734 5.902 -0.844 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -11.933 6.485 0.601 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -13.321 8.567 0.561 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -14.087 8.049 -0.928 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -15.583 7.525 0.950 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -15.006 6.024 0.255 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -13.523 5.588 2.103 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -13.527 7.260 2.626 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -14.948 5.898 4.035 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -15.882 7.045 3.202 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -15.878 5.425 2.695 1.00 1.00 H new ATOM 384 N PRO A 23 -9.324 7.675 0.149 1.00 1.00 N ATOM 385 CA PRO A 23 -7.931 7.290 0.549 1.00 1.00 C ATOM 386 C PRO A 23 -7.843 5.816 0.991 1.00 1.00 C ATOM 387 O PRO A 23 -8.817 5.186 1.406 1.00 1.00 O ATOM 388 CB PRO A 23 -7.588 8.283 1.706 1.00 1.00 C ATOM 389 CG PRO A 23 -8.928 8.632 2.286 1.00 1.00 C ATOM 390 CD PRO A 23 -9.855 8.731 1.067 1.00 1.00 C ATOM 0 HA PRO A 23 -7.223 7.360 -0.277 1.00 1.00 H new ATOM 0 HB2 PRO A 23 -6.938 7.822 2.450 1.00 1.00 H new ATOM 0 HB3 PRO A 23 -7.070 9.167 1.334 1.00 1.00 H new ATOM 0 HG2 PRO A 23 -9.270 7.869 2.985 1.00 1.00 H new ATOM 0 HG3 PRO A 23 -8.891 9.573 2.835 1.00 1.00 H new ATOM 0 HD2 PRO A 23 -10.895 8.546 1.336 1.00 1.00 H new ATOM 0 HD3 PRO A 23 -9.815 9.720 0.610 1.00 1.00 H new ATOM 398 N LEU A 24 -6.631 5.280 0.904 1.00 1.00 N ATOM 399 CA LEU A 24 -6.361 3.883 1.270 1.00 1.00 C ATOM 400 C LEU A 24 -6.730 3.586 2.758 1.00 1.00 C ATOM 401 O LEU A 24 -6.071 4.123 3.649 1.00 1.00 O ATOM 402 CB LEU A 24 -4.869 3.576 1.006 1.00 1.00 C ATOM 403 CG LEU A 24 -4.475 3.963 -0.460 1.00 1.00 C ATOM 404 CD1 LEU A 24 -2.981 3.668 -0.688 1.00 1.00 C ATOM 405 CD2 LEU A 24 -5.319 3.177 -1.512 1.00 1.00 C ATOM 0 H LEU A 24 -5.810 5.792 0.581 1.00 1.00 H new ATOM 0 HA LEU A 24 -6.988 3.236 0.657 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -4.249 4.128 1.712 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -4.676 2.516 1.172 1.00 1.00 H new ATOM 0 HG LEU A 24 -4.676 5.027 -0.588 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -2.708 3.938 -1.708 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -2.384 4.251 0.013 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -2.792 2.606 -0.531 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -5.016 3.473 -2.516 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -5.155 2.107 -1.384 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -6.376 3.401 -1.371 1.00 1.00 H new ATOM 417 N PRO A 25 -7.718 2.780 3.033 1.00 1.00 N ATOM 418 CA PRO A 25 -8.093 2.469 4.472 1.00 1.00 C ATOM 419 C PRO A 25 -6.896 1.982 5.323 1.00 1.00 C ATOM 420 O PRO A 25 -6.131 1.116 4.897 1.00 1.00 O ATOM 421 CB PRO A 25 -9.166 1.345 4.336 1.00 1.00 C ATOM 422 CG PRO A 25 -9.796 1.604 3.001 1.00 1.00 C ATOM 423 CD PRO A 25 -8.635 2.055 2.095 1.00 1.00 C ATOM 0 HA PRO A 25 -8.449 3.359 4.991 1.00 1.00 H new ATOM 0 HB2 PRO A 25 -8.714 0.354 4.378 1.00 1.00 H new ATOM 0 HB3 PRO A 25 -9.900 1.395 5.140 1.00 1.00 H new ATOM 0 HG2 PRO A 25 -10.276 0.707 2.610 1.00 1.00 H new ATOM 0 HG3 PRO A 25 -10.565 2.373 3.070 1.00 1.00 H new ATOM 0 HD2 PRO A 25 -8.139 1.205 1.626 1.00 1.00 H new ATOM 0 HD3 PRO A 25 -8.982 2.705 1.292 1.00 1.00 H new ATOM 431 N GLU A 26 -6.758 2.529 6.526 1.00 1.00 N ATOM 432 CA GLU A 26 -5.676 2.155 7.435 1.00 1.00 C ATOM 433 C GLU A 26 -5.934 0.761 7.998 1.00 1.00 C ATOM 434 O GLU A 26 -7.067 0.363 8.267 1.00 1.00 O ATOM 435 CB GLU A 26 -5.555 3.187 8.585 1.00 1.00 C ATOM 436 CG GLU A 26 -4.311 2.891 9.463 1.00 1.00 C ATOM 437 CD GLU A 26 -4.163 3.930 10.579 1.00 1.00 C ATOM 438 OE1 GLU A 26 -5.130 4.621 10.865 1.00 1.00 O ATOM 439 OE2 GLU A 26 -3.084 4.008 11.140 1.00 1.00 O ATOM 0 H GLU A 26 -7.388 3.240 6.898 1.00 1.00 H new ATOM 0 HA GLU A 26 -4.737 2.146 6.882 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -5.482 4.193 8.171 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -6.454 3.160 9.200 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -4.398 1.895 9.898 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -3.415 2.890 8.842 1.00 1.00 H new ATOM 446 N VAL A 27 -4.857 0.005 8.182 1.00 1.00 N ATOM 447 CA VAL A 27 -4.933 -1.360 8.723 1.00 1.00 C ATOM 448 C VAL A 27 -3.676 -1.687 9.541 1.00 1.00 C ATOM 449 O VAL A 27 -2.587 -1.167 9.298 1.00 1.00 O ATOM 450 CB VAL A 27 -5.124 -2.358 7.552 1.00 1.00 C ATOM 451 CG1 VAL A 27 -3.934 -2.276 6.567 1.00 1.00 C ATOM 452 CG2 VAL A 27 -5.265 -3.805 8.085 1.00 1.00 C ATOM 0 H VAL A 27 -3.909 0.313 7.964 1.00 1.00 H new ATOM 0 HA VAL A 27 -5.786 -1.442 9.397 1.00 1.00 H new ATOM 0 HB VAL A 27 -6.038 -2.087 7.024 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -4.087 -2.984 5.752 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -3.866 -1.266 6.162 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -3.010 -2.520 7.091 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -5.398 -4.490 7.248 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -4.366 -4.078 8.638 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -6.130 -3.867 8.745 1.00 1.00 H new ATOM 462 N SER A 28 -3.829 -2.566 10.526 1.00 1.00 N ATOM 463 CA SER A 28 -2.712 -2.973 11.396 1.00 1.00 C ATOM 464 C SER A 28 -1.936 -4.137 10.766 1.00 1.00 C ATOM 465 O SER A 28 -2.432 -4.871 9.911 1.00 1.00 O ATOM 466 CB SER A 28 -3.263 -3.391 12.767 1.00 1.00 C ATOM 467 OG SER A 28 -3.952 -2.287 13.343 1.00 1.00 O ATOM 0 H SER A 28 -4.717 -3.016 10.749 1.00 1.00 H new ATOM 0 HA SER A 28 -2.030 -2.131 11.517 1.00 1.00 H new ATOM 0 HB2 SER A 28 -3.937 -4.241 12.659 1.00 1.00 H new ATOM 0 HB3 SER A 28 -2.450 -3.709 13.419 1.00 1.00 H new ATOM 0 HG SER A 28 -4.309 -2.545 14.218 1.00 1.00 H new ATOM 473 N VAL A 29 -0.693 -4.308 11.204 1.00 1.00 N ATOM 474 CA VAL A 29 0.193 -5.391 10.685 1.00 1.00 C ATOM 475 C VAL A 29 0.829 -6.149 11.846 1.00 1.00 C ATOM 476 O VAL A 29 1.004 -5.588 12.928 1.00 1.00 O ATOM 477 CB VAL A 29 1.299 -4.763 9.754 1.00 1.00 C ATOM 478 CG1 VAL A 29 0.651 -3.752 8.776 1.00 1.00 C ATOM 479 CG2 VAL A 29 2.393 -4.006 10.575 1.00 1.00 C ATOM 0 H VAL A 29 -0.259 -3.721 11.916 1.00 1.00 H new ATOM 0 HA VAL A 29 -0.398 -6.097 10.102 1.00 1.00 H new ATOM 0 HB VAL A 29 1.767 -5.586 9.214 1.00 1.00 H new ATOM 0 HG11 VAL A 29 1.420 -3.321 8.135 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -0.089 -4.264 8.161 1.00 1.00 H new ATOM 0 HG13 VAL A 29 0.165 -2.958 9.343 1.00 1.00 H new ATOM 0 HG21 VAL A 29 3.135 -3.589 9.894 1.00 1.00 H new ATOM 0 HG22 VAL A 29 1.929 -3.200 11.144 1.00 1.00 H new ATOM 0 HG23 VAL A 29 2.879 -4.700 11.260 1.00 1.00 H new ATOM 489 N THR A 30 1.209 -7.408 11.649 1.00 1.00 N ATOM 490 CA THR A 30 1.861 -8.191 12.718 1.00 1.00 C ATOM 491 C THR A 30 3.257 -8.620 12.259 1.00 1.00 C ATOM 492 O THR A 30 3.429 -9.276 11.232 1.00 1.00 O ATOM 493 CB THR A 30 0.992 -9.427 13.070 1.00 1.00 C ATOM 494 OG1 THR A 30 -0.366 -9.014 13.168 1.00 1.00 O ATOM 495 CG2 THR A 30 1.411 -10.018 14.435 1.00 1.00 C ATOM 0 H THR A 30 1.083 -7.912 10.772 1.00 1.00 H new ATOM 0 HA THR A 30 1.962 -7.577 13.613 1.00 1.00 H new ATOM 0 HB THR A 30 1.124 -10.181 12.294 1.00 1.00 H new ATOM 0 HG1 THR A 30 -0.928 -9.786 13.389 1.00 1.00 H new ATOM 0 HG21 THR A 30 0.789 -10.884 14.663 1.00 1.00 H new ATOM 0 HG22 THR A 30 2.457 -10.323 14.394 1.00 1.00 H new ATOM 0 HG23 THR A 30 1.283 -9.265 15.212 1.00 1.00 H new ATOM 503 N ILE A 31 4.269 -8.267 13.044 1.00 1.00 N ATOM 504 CA ILE A 31 5.672 -8.614 12.749 1.00 1.00 C ATOM 505 C ILE A 31 6.244 -9.437 13.895 1.00 1.00 C ATOM 506 O ILE A 31 5.775 -9.384 15.032 1.00 1.00 O ATOM 507 CB ILE A 31 6.480 -7.317 12.534 1.00 1.00 C ATOM 508 CG1 ILE A 31 5.908 -6.534 11.304 1.00 1.00 C ATOM 509 CG2 ILE A 31 7.984 -7.612 12.311 1.00 1.00 C ATOM 510 CD1 ILE A 31 5.946 -7.347 9.986 1.00 1.00 C ATOM 0 H ILE A 31 4.150 -7.732 13.904 1.00 1.00 H new ATOM 0 HA ILE A 31 5.730 -9.212 11.840 1.00 1.00 H new ATOM 0 HB ILE A 31 6.386 -6.711 13.435 1.00 1.00 H new ATOM 0 HG12 ILE A 31 4.878 -6.244 11.514 1.00 1.00 H new ATOM 0 HG13 ILE A 31 6.477 -5.614 11.171 1.00 1.00 H new ATOM 0 HG21 ILE A 31 8.521 -6.675 12.163 1.00 1.00 H new ATOM 0 HG22 ILE A 31 8.387 -8.127 13.183 1.00 1.00 H new ATOM 0 HG23 ILE A 31 8.104 -8.242 11.430 1.00 1.00 H new ATOM 0 HD11 ILE A 31 5.535 -6.745 9.175 1.00 1.00 H new ATOM 0 HD12 ILE A 31 6.977 -7.614 9.753 1.00 1.00 H new ATOM 0 HD13 ILE A 31 5.353 -8.254 10.101 1.00 1.00 H new ATOM 522 N ARG A 32 7.280 -10.212 13.592 1.00 1.00 N ATOM 523 CA ARG A 32 7.956 -11.057 14.595 1.00 1.00 C ATOM 524 C ARG A 32 9.468 -10.832 14.529 1.00 1.00 C ATOM 525 O ARG A 32 10.122 -11.167 13.542 1.00 1.00 O ATOM 526 CB ARG A 32 7.632 -12.544 14.298 1.00 1.00 C ATOM 527 CG ARG A 32 8.017 -13.467 15.510 1.00 1.00 C ATOM 528 CD ARG A 32 6.853 -13.551 16.525 1.00 1.00 C ATOM 529 NE ARG A 32 7.283 -14.287 17.712 1.00 1.00 N ATOM 530 CZ ARG A 32 6.460 -14.517 18.742 1.00 1.00 C ATOM 531 NH1 ARG A 32 5.224 -14.091 18.714 1.00 1.00 N ATOM 532 NH2 ARG A 32 6.898 -15.164 19.783 1.00 1.00 N ATOM 0 H ARG A 32 7.679 -10.279 12.656 1.00 1.00 H new ATOM 0 HA ARG A 32 7.605 -10.796 15.593 1.00 1.00 H new ATOM 0 HB2 ARG A 32 6.569 -12.650 14.081 1.00 1.00 H new ATOM 0 HB3 ARG A 32 8.173 -12.865 13.408 1.00 1.00 H new ATOM 0 HG2 ARG A 32 8.264 -14.465 15.149 1.00 1.00 H new ATOM 0 HG3 ARG A 32 8.908 -13.077 16.002 1.00 1.00 H new ATOM 0 HD2 ARG A 32 6.530 -12.548 16.805 1.00 1.00 H new ATOM 0 HD3 ARG A 32 5.996 -14.047 16.069 1.00 1.00 H new ATOM 0 HE ARG A 32 8.240 -14.636 17.757 1.00 1.00 H new ATOM 0 HH11 ARG A 32 4.879 -13.578 17.902 1.00 1.00 H new ATOM 0 HH12 ARG A 32 4.604 -14.271 19.504 1.00 1.00 H new ATOM 0 HH21 ARG A 32 7.863 -15.492 19.810 1.00 1.00 H new ATOM 0 HH22 ARG A 32 6.276 -15.343 20.571 1.00 1.00 H new ATOM 546 N ALA A 33 10.029 -10.271 15.596 1.00 1.00 N ATOM 547 CA ALA A 33 11.465 -10.002 15.657 1.00 1.00 C ATOM 548 C ALA A 33 11.887 -9.650 17.084 1.00 1.00 C ATOM 549 O ALA A 33 11.068 -9.594 18.001 1.00 1.00 O ATOM 550 CB ALA A 33 11.837 -8.885 14.668 1.00 1.00 C ATOM 0 H ALA A 33 9.513 -9.993 16.431 1.00 1.00 H new ATOM 0 HA ALA A 33 12.006 -10.903 15.368 1.00 1.00 H new ATOM 0 HB1 ALA A 33 12.909 -8.693 14.722 1.00 1.00 H new ATOM 0 HB2 ALA A 33 11.574 -9.193 13.656 1.00 1.00 H new ATOM 0 HB3 ALA A 33 11.292 -7.976 14.924 1.00 1.00 H new ATOM 556 N TYR A 34 13.179 -9.396 17.262 1.00 1.00 N ATOM 557 CA TYR A 34 13.728 -9.058 18.584 1.00 1.00 C ATOM 558 C TYR A 34 13.234 -7.662 19.052 1.00 1.00 C ATOM 559 O TYR A 34 13.009 -6.803 18.200 1.00 1.00 O ATOM 560 CB TYR A 34 15.279 -9.091 18.502 1.00 1.00 C ATOM 561 CG TYR A 34 15.779 -10.541 18.445 1.00 1.00 C ATOM 562 CD1 TYR A 34 16.027 -11.245 19.638 1.00 1.00 C ATOM 563 CD2 TYR A 34 15.985 -11.182 17.207 1.00 1.00 C ATOM 564 CE1 TYR A 34 16.473 -12.569 19.594 1.00 1.00 C ATOM 565 CE2 TYR A 34 16.434 -12.508 17.171 1.00 1.00 C ATOM 566 CZ TYR A 34 16.679 -13.200 18.362 1.00 1.00 C ATOM 567 OH TYR A 34 17.119 -14.507 18.324 1.00 1.00 O ATOM 0 H TYR A 34 13.871 -9.416 16.513 1.00 1.00 H new ATOM 0 HA TYR A 34 13.382 -9.788 19.316 1.00 1.00 H new ATOM 0 HB2 TYR A 34 15.615 -8.548 17.618 1.00 1.00 H new ATOM 0 HB3 TYR A 34 15.707 -8.586 19.368 1.00 1.00 H new ATOM 0 HD1 TYR A 34 15.872 -10.761 20.591 1.00 1.00 H new ATOM 0 HD2 TYR A 34 15.797 -10.651 16.286 1.00 1.00 H new ATOM 0 HE1 TYR A 34 16.659 -13.106 20.512 1.00 1.00 H new ATOM 0 HE2 TYR A 34 16.592 -12.998 16.221 1.00 1.00 H new ATOM 0 HH TYR A 34 17.210 -14.795 17.392 1.00 1.00 H new ATOM 577 N PRO A 35 13.081 -7.417 20.325 1.00 1.00 N ATOM 578 CA PRO A 35 12.630 -6.078 20.829 1.00 1.00 C ATOM 579 C PRO A 35 13.730 -5.009 20.682 1.00 1.00 C ATOM 580 O PRO A 35 13.435 -3.817 20.603 1.00 1.00 O ATOM 581 CB PRO A 35 12.246 -6.345 22.315 1.00 1.00 C ATOM 582 CG PRO A 35 13.112 -7.507 22.733 1.00 1.00 C ATOM 583 CD PRO A 35 13.298 -8.362 21.457 1.00 1.00 C ATOM 0 HA PRO A 35 11.793 -5.674 20.259 1.00 1.00 H new ATOM 0 HB2 PRO A 35 12.433 -5.469 22.936 1.00 1.00 H new ATOM 0 HB3 PRO A 35 11.187 -6.585 22.413 1.00 1.00 H new ATOM 0 HG2 PRO A 35 14.072 -7.163 23.118 1.00 1.00 H new ATOM 0 HG3 PRO A 35 12.638 -8.084 23.527 1.00 1.00 H new ATOM 0 HD2 PRO A 35 14.295 -8.802 21.418 1.00 1.00 H new ATOM 0 HD3 PRO A 35 12.585 -9.185 21.426 1.00 1.00 H new ATOM 591 N GLU A 36 14.987 -5.441 20.671 1.00 1.00 N ATOM 592 CA GLU A 36 16.127 -4.513 20.555 1.00 1.00 C ATOM 593 C GLU A 36 16.081 -3.754 19.217 1.00 1.00 C ATOM 594 O GLU A 36 16.359 -2.556 19.148 1.00 1.00 O ATOM 595 CB GLU A 36 17.462 -5.313 20.704 1.00 1.00 C ATOM 596 CG GLU A 36 17.833 -6.067 19.391 1.00 1.00 C ATOM 597 CD GLU A 36 18.917 -7.118 19.641 1.00 1.00 C ATOM 598 OE1 GLU A 36 20.050 -6.726 19.858 1.00 1.00 O ATOM 599 OE2 GLU A 36 18.596 -8.296 19.605 1.00 1.00 O ATOM 0 H GLU A 36 15.251 -6.424 20.740 1.00 1.00 H new ATOM 0 HA GLU A 36 16.069 -3.771 21.351 1.00 1.00 H new ATOM 0 HB2 GLU A 36 18.268 -4.629 20.971 1.00 1.00 H new ATOM 0 HB3 GLU A 36 17.368 -6.029 21.520 1.00 1.00 H new ATOM 0 HG2 GLU A 36 16.945 -6.548 18.982 1.00 1.00 H new ATOM 0 HG3 GLU A 36 18.181 -5.353 18.645 1.00 1.00 H new ATOM 606 N ILE A 37 15.733 -4.460 18.147 1.00 1.00 N ATOM 607 CA ILE A 37 15.660 -3.840 16.803 1.00 1.00 C ATOM 608 C ILE A 37 14.299 -3.180 16.610 1.00 1.00 C ATOM 609 O ILE A 37 14.194 -2.144 15.953 1.00 1.00 O ATOM 610 CB ILE A 37 15.953 -4.882 15.684 1.00 1.00 C ATOM 611 CG1 ILE A 37 14.912 -6.027 15.734 1.00 1.00 C ATOM 612 CG2 ILE A 37 17.402 -5.474 15.841 1.00 1.00 C ATOM 613 CD1 ILE A 37 15.166 -7.100 14.644 1.00 1.00 C ATOM 0 H ILE A 37 15.497 -5.452 18.169 1.00 1.00 H new ATOM 0 HA ILE A 37 16.429 -3.071 16.731 1.00 1.00 H new ATOM 0 HB ILE A 37 15.884 -4.376 14.721 1.00 1.00 H new ATOM 0 HG12 ILE A 37 14.939 -6.497 16.717 1.00 1.00 H new ATOM 0 HG13 ILE A 37 13.912 -5.612 15.606 1.00 1.00 H new ATOM 0 HG21 ILE A 37 17.586 -6.200 15.049 1.00 1.00 H new ATOM 0 HG22 ILE A 37 18.133 -4.669 15.772 1.00 1.00 H new ATOM 0 HG23 ILE A 37 17.492 -5.964 16.810 1.00 1.00 H new ATOM 0 HD11 ILE A 37 14.410 -7.882 14.720 1.00 1.00 H new ATOM 0 HD12 ILE A 37 15.112 -6.637 13.659 1.00 1.00 H new ATOM 0 HD13 ILE A 37 16.155 -7.536 14.786 1.00 1.00 H new ATOM 625 N LEU A 38 13.255 -3.766 17.185 1.00 1.00 N ATOM 626 CA LEU A 38 11.901 -3.194 17.065 1.00 1.00 C ATOM 627 C LEU A 38 11.819 -1.901 17.887 1.00 1.00 C ATOM 628 O LEU A 38 11.132 -0.952 17.509 1.00 1.00 O ATOM 629 CB LEU A 38 10.837 -4.221 17.539 1.00 1.00 C ATOM 630 CG LEU A 38 10.557 -5.337 16.465 1.00 1.00 C ATOM 631 CD1 LEU A 38 9.817 -6.525 17.129 1.00 1.00 C ATOM 632 CD2 LEU A 38 9.673 -4.783 15.310 1.00 1.00 C ATOM 0 H LEU A 38 13.308 -4.625 17.733 1.00 1.00 H new ATOM 0 HA LEU A 38 11.698 -2.960 16.020 1.00 1.00 H new ATOM 0 HB2 LEU A 38 11.174 -4.688 18.464 1.00 1.00 H new ATOM 0 HB3 LEU A 38 9.908 -3.698 17.766 1.00 1.00 H new ATOM 0 HG LEU A 38 11.513 -5.666 16.058 1.00 1.00 H new ATOM 0 HD11 LEU A 38 9.624 -7.296 16.383 1.00 1.00 H new ATOM 0 HD12 LEU A 38 10.434 -6.938 17.927 1.00 1.00 H new ATOM 0 HD13 LEU A 38 8.871 -6.178 17.545 1.00 1.00 H new ATOM 0 HD21 LEU A 38 9.492 -5.572 14.580 1.00 1.00 H new ATOM 0 HD22 LEU A 38 8.721 -4.438 15.714 1.00 1.00 H new ATOM 0 HD23 LEU A 38 10.185 -3.951 14.827 1.00 1.00 H new ATOM 644 N ASN A 39 12.528 -1.867 19.011 1.00 1.00 N ATOM 645 CA ASN A 39 12.537 -0.686 19.894 1.00 1.00 C ATOM 646 C ASN A 39 13.472 0.382 19.330 1.00 1.00 C ATOM 647 O ASN A 39 13.437 1.543 19.736 1.00 1.00 O ATOM 648 CB ASN A 39 12.988 -1.101 21.312 1.00 1.00 C ATOM 649 CG ASN A 39 12.928 0.082 22.287 1.00 1.00 C ATOM 650 OD1 ASN A 39 12.026 0.915 22.199 1.00 1.00 O ATOM 651 ND2 ASN A 39 13.839 0.196 23.216 1.00 1.00 N ATOM 0 H ASN A 39 13.107 -2.640 19.340 1.00 1.00 H new ATOM 0 HA ASN A 39 11.531 -0.271 19.950 1.00 1.00 H new ATOM 0 HB2 ASN A 39 12.352 -1.907 21.676 1.00 1.00 H new ATOM 0 HB3 ASN A 39 14.005 -1.491 21.272 1.00 1.00 H new ATOM 0 HD21 ASN A 39 13.804 0.977 23.871 1.00 1.00 H new ATOM 0 HD22 ASN A 39 14.585 -0.496 23.286 1.00 1.00 H new ATOM 658 N ASN A 40 14.321 -0.016 18.388 1.00 1.00 N ATOM 659 CA ASN A 40 15.295 0.902 17.745 1.00 1.00 C ATOM 660 C ASN A 40 14.829 1.299 16.339 1.00 1.00 C ATOM 661 O ASN A 40 15.054 2.424 15.896 1.00 1.00 O ATOM 662 CB ASN A 40 16.675 0.207 17.670 1.00 1.00 C ATOM 663 CG ASN A 40 17.754 1.183 17.186 1.00 1.00 C ATOM 664 OD1 ASN A 40 17.721 2.363 17.534 1.00 1.00 O ATOM 665 ND2 ASN A 40 18.706 0.754 16.404 1.00 1.00 N ATOM 0 H ASN A 40 14.365 -0.974 18.041 1.00 1.00 H new ATOM 0 HA ASN A 40 15.371 1.810 18.343 1.00 1.00 H new ATOM 0 HB2 ASN A 40 16.945 -0.182 18.652 1.00 1.00 H new ATOM 0 HB3 ASN A 40 16.621 -0.646 16.994 1.00 1.00 H new ATOM 0 HD21 ASN A 40 19.427 1.397 16.078 1.00 1.00 H new ATOM 0 HD22 ASN A 40 18.729 -0.225 16.118 1.00 1.00 H new ATOM 672 N LEU A 41 14.189 0.369 15.638 1.00 1.00 N ATOM 673 CA LEU A 41 13.706 0.596 14.279 1.00 1.00 C ATOM 674 C LEU A 41 12.583 1.617 14.297 1.00 1.00 C ATOM 675 O LEU A 41 11.765 1.670 15.215 1.00 1.00 O ATOM 676 CB LEU A 41 13.224 -0.741 13.663 1.00 1.00 C ATOM 677 CG LEU A 41 12.753 -0.600 12.177 1.00 1.00 C ATOM 678 CD1 LEU A 41 13.893 -0.043 11.284 1.00 1.00 C ATOM 679 CD2 LEU A 41 12.292 -1.993 11.647 1.00 1.00 C ATOM 0 H LEU A 41 13.990 -0.565 15.996 1.00 1.00 H new ATOM 0 HA LEU A 41 14.518 0.986 13.665 1.00 1.00 H new ATOM 0 HB2 LEU A 41 14.033 -1.470 13.713 1.00 1.00 H new ATOM 0 HB3 LEU A 41 12.403 -1.135 14.262 1.00 1.00 H new ATOM 0 HG LEU A 41 11.920 0.102 12.139 1.00 1.00 H new ATOM 0 HD11 LEU A 41 13.540 0.045 10.257 1.00 1.00 H new ATOM 0 HD12 LEU A 41 14.195 0.938 11.650 1.00 1.00 H new ATOM 0 HD13 LEU A 41 14.746 -0.721 11.318 1.00 1.00 H new ATOM 0 HD21 LEU A 41 11.963 -1.898 10.612 1.00 1.00 H new ATOM 0 HD22 LEU A 41 13.123 -2.696 11.701 1.00 1.00 H new ATOM 0 HD23 LEU A 41 11.467 -2.360 12.258 1.00 1.00 H new ATOM 691 N THR A 42 12.547 2.466 13.275 1.00 1.00 N ATOM 692 CA THR A 42 11.515 3.519 13.163 1.00 1.00 C ATOM 693 C THR A 42 10.652 3.272 11.935 1.00 1.00 C ATOM 694 O THR A 42 10.991 2.473 11.062 1.00 1.00 O ATOM 695 CB THR A 42 12.181 4.908 13.095 1.00 1.00 C ATOM 696 OG1 THR A 42 11.206 5.878 12.739 1.00 1.00 O ATOM 697 CG2 THR A 42 13.312 4.912 12.057 1.00 1.00 C ATOM 0 H THR A 42 13.217 2.454 12.506 1.00 1.00 H new ATOM 0 HA THR A 42 10.875 3.489 14.045 1.00 1.00 H new ATOM 0 HB THR A 42 12.603 5.146 14.071 1.00 1.00 H new ATOM 0 HG1 THR A 42 11.625 6.763 12.696 1.00 1.00 H new ATOM 0 HG21 THR A 42 13.771 5.900 12.022 1.00 1.00 H new ATOM 0 HG22 THR A 42 14.063 4.173 12.335 1.00 1.00 H new ATOM 0 HG23 THR A 42 12.906 4.666 11.076 1.00 1.00 H new ATOM 705 N LYS A 43 9.512 3.953 11.869 1.00 1.00 N ATOM 706 CA LYS A 43 8.564 3.803 10.765 1.00 1.00 C ATOM 707 C LYS A 43 9.150 4.382 9.469 1.00 1.00 C ATOM 708 O LYS A 43 8.905 3.869 8.378 1.00 1.00 O ATOM 709 CB LYS A 43 7.213 4.494 11.121 1.00 1.00 C ATOM 710 CG LYS A 43 6.350 3.618 12.078 1.00 1.00 C ATOM 711 CD LYS A 43 7.108 3.330 13.402 1.00 1.00 C ATOM 712 CE LYS A 43 6.173 2.662 14.423 1.00 1.00 C ATOM 713 NZ LYS A 43 6.934 2.389 15.673 1.00 1.00 N ATOM 0 H LYS A 43 9.218 4.625 12.578 1.00 1.00 H new ATOM 0 HA LYS A 43 8.377 2.741 10.605 1.00 1.00 H new ATOM 0 HB2 LYS A 43 7.410 5.458 11.590 1.00 1.00 H new ATOM 0 HB3 LYS A 43 6.654 4.692 10.207 1.00 1.00 H new ATOM 0 HG2 LYS A 43 5.411 4.127 12.295 1.00 1.00 H new ATOM 0 HG3 LYS A 43 6.097 2.678 11.588 1.00 1.00 H new ATOM 0 HD2 LYS A 43 7.963 2.683 13.205 1.00 1.00 H new ATOM 0 HD3 LYS A 43 7.500 4.260 13.813 1.00 1.00 H new ATOM 0 HE2 LYS A 43 5.322 3.310 14.634 1.00 1.00 H new ATOM 0 HE3 LYS A 43 5.773 1.733 14.016 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 6.307 1.937 16.369 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 7.732 1.756 15.462 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 7.295 3.283 16.062 1.00 1.00 H new ATOM 727 N GLU A 44 9.902 5.472 9.583 1.00 1.00 N ATOM 728 CA GLU A 44 10.499 6.146 8.424 1.00 1.00 C ATOM 729 C GLU A 44 11.431 5.210 7.649 1.00 1.00 C ATOM 730 O GLU A 44 11.714 5.432 6.471 1.00 1.00 O ATOM 731 CB GLU A 44 11.281 7.393 8.893 1.00 1.00 C ATOM 732 CG GLU A 44 10.338 8.354 9.648 1.00 1.00 C ATOM 733 CD GLU A 44 11.098 9.608 10.090 1.00 1.00 C ATOM 734 OE1 GLU A 44 11.570 10.323 9.222 1.00 1.00 O ATOM 735 OE2 GLU A 44 11.197 9.833 11.286 1.00 1.00 O ATOM 0 H GLU A 44 10.117 5.916 10.476 1.00 1.00 H new ATOM 0 HA GLU A 44 9.692 6.446 7.755 1.00 1.00 H new ATOM 0 HB2 GLU A 44 12.104 7.094 9.542 1.00 1.00 H new ATOM 0 HB3 GLU A 44 11.720 7.901 8.035 1.00 1.00 H new ATOM 0 HG2 GLU A 44 9.503 8.634 9.006 1.00 1.00 H new ATOM 0 HG3 GLU A 44 9.916 7.851 10.518 1.00 1.00 H new ATOM 742 N GLN A 45 11.907 4.154 8.300 1.00 1.00 N ATOM 743 CA GLN A 45 12.815 3.181 7.659 1.00 1.00 C ATOM 744 C GLN A 45 12.031 2.149 6.854 1.00 1.00 C ATOM 745 O GLN A 45 12.608 1.430 6.037 1.00 1.00 O ATOM 746 CB GLN A 45 13.686 2.467 8.741 1.00 1.00 C ATOM 747 CG GLN A 45 14.974 3.271 9.055 1.00 1.00 C ATOM 748 CD GLN A 45 15.831 2.528 10.079 1.00 1.00 C ATOM 749 OE1 GLN A 45 15.716 2.764 11.276 1.00 1.00 O ATOM 750 NE2 GLN A 45 16.671 1.617 9.670 1.00 1.00 N ATOM 0 H GLN A 45 11.685 3.941 9.272 1.00 1.00 H new ATOM 0 HA GLN A 45 13.467 3.724 6.975 1.00 1.00 H new ATOM 0 HB2 GLN A 45 13.103 2.341 9.653 1.00 1.00 H new ATOM 0 HB3 GLN A 45 13.954 1.469 8.393 1.00 1.00 H new ATOM 0 HG2 GLN A 45 15.544 3.428 8.140 1.00 1.00 H new ATOM 0 HG3 GLN A 45 14.710 4.256 9.439 1.00 1.00 H new ATOM 0 HE21 GLN A 45 16.766 1.421 8.673 1.00 1.00 H new ATOM 0 HE22 GLN A 45 17.233 1.101 10.347 1.00 1.00 H new ATOM 759 N ILE A 46 10.725 2.064 7.080 1.00 1.00 N ATOM 760 CA ILE A 46 9.877 1.082 6.381 1.00 1.00 C ATOM 761 C ILE A 46 9.401 1.644 5.035 1.00 1.00 C ATOM 762 O ILE A 46 8.828 2.731 4.958 1.00 1.00 O ATOM 763 CB ILE A 46 8.645 0.712 7.266 1.00 1.00 C ATOM 764 CG1 ILE A 46 9.082 0.538 8.747 1.00 1.00 C ATOM 765 CG2 ILE A 46 7.992 -0.601 6.769 1.00 1.00 C ATOM 766 CD1 ILE A 46 10.214 -0.485 8.917 1.00 1.00 C ATOM 0 H ILE A 46 10.223 2.659 7.739 1.00 1.00 H new ATOM 0 HA ILE A 46 10.468 0.185 6.196 1.00 1.00 H new ATOM 0 HB ILE A 46 7.919 1.522 7.193 1.00 1.00 H new ATOM 0 HG12 ILE A 46 9.407 1.501 9.141 1.00 1.00 H new ATOM 0 HG13 ILE A 46 8.223 0.224 9.340 1.00 1.00 H new ATOM 0 HG21 ILE A 46 7.135 -0.842 7.398 1.00 1.00 H new ATOM 0 HG22 ILE A 46 7.661 -0.475 5.738 1.00 1.00 H new ATOM 0 HG23 ILE A 46 8.719 -1.411 6.820 1.00 1.00 H new ATOM 0 HD11 ILE A 46 10.477 -0.564 9.972 1.00 1.00 H new ATOM 0 HD12 ILE A 46 9.884 -1.457 8.551 1.00 1.00 H new ATOM 0 HD13 ILE A 46 11.086 -0.161 8.349 1.00 1.00 H new ATOM 778 N SER A 47 9.636 0.894 3.964 1.00 1.00 N ATOM 779 CA SER A 47 9.225 1.305 2.609 1.00 1.00 C ATOM 780 C SER A 47 7.912 0.612 2.233 1.00 1.00 C ATOM 781 O SER A 47 7.876 -0.597 2.001 1.00 1.00 O ATOM 782 CB SER A 47 10.329 0.941 1.609 1.00 1.00 C ATOM 783 OG SER A 47 10.060 1.565 0.357 1.00 1.00 O ATOM 0 H SER A 47 10.111 -0.008 4.000 1.00 1.00 H new ATOM 0 HA SER A 47 9.068 2.383 2.585 1.00 1.00 H new ATOM 0 HB2 SER A 47 11.299 1.264 1.988 1.00 1.00 H new ATOM 0 HB3 SER A 47 10.380 -0.141 1.485 1.00 1.00 H new ATOM 0 HG SER A 47 9.392 1.041 -0.133 1.00 1.00 H new ATOM 789 N LEU A 48 6.832 1.383 2.162 1.00 1.00 N ATOM 790 CA LEU A 48 5.495 0.831 1.822 1.00 1.00 C ATOM 791 C LEU A 48 4.838 1.665 0.741 1.00 1.00 C ATOM 792 O LEU A 48 4.620 2.867 0.892 1.00 1.00 O ATOM 793 CB LEU A 48 4.601 0.821 3.095 1.00 1.00 C ATOM 794 CG LEU A 48 5.068 -0.285 4.116 1.00 1.00 C ATOM 795 CD1 LEU A 48 4.658 0.106 5.554 1.00 1.00 C ATOM 796 CD2 LEU A 48 4.437 -1.661 3.769 1.00 1.00 C ATOM 0 H LEU A 48 6.840 2.389 2.332 1.00 1.00 H new ATOM 0 HA LEU A 48 5.616 -0.187 1.451 1.00 1.00 H new ATOM 0 HB2 LEU A 48 4.637 1.799 3.574 1.00 1.00 H new ATOM 0 HB3 LEU A 48 3.564 0.642 2.812 1.00 1.00 H new ATOM 0 HG LEU A 48 6.153 -0.362 4.050 1.00 1.00 H new ATOM 0 HD11 LEU A 48 4.987 -0.667 6.249 1.00 1.00 H new ATOM 0 HD12 LEU A 48 5.124 1.055 5.820 1.00 1.00 H new ATOM 0 HD13 LEU A 48 3.574 0.206 5.609 1.00 1.00 H new ATOM 0 HD21 LEU A 48 4.774 -2.408 4.488 1.00 1.00 H new ATOM 0 HD22 LEU A 48 3.350 -1.584 3.809 1.00 1.00 H new ATOM 0 HD23 LEU A 48 4.743 -1.959 2.766 1.00 1.00 H new ATOM 808 N TRP A 49 4.499 1.010 -0.366 1.00 1.00 N ATOM 809 CA TRP A 49 3.842 1.672 -1.480 1.00 1.00 C ATOM 810 C TRP A 49 3.101 0.637 -2.312 1.00 1.00 C ATOM 811 O TRP A 49 3.090 -0.552 -1.997 1.00 1.00 O ATOM 812 CB TRP A 49 4.877 2.448 -2.339 1.00 1.00 C ATOM 813 CG TRP A 49 5.697 1.515 -3.198 1.00 1.00 C ATOM 814 CD1 TRP A 49 5.487 1.279 -4.515 1.00 1.00 C ATOM 815 CD2 TRP A 49 6.831 0.693 -2.815 1.00 1.00 C ATOM 816 NE1 TRP A 49 6.432 0.387 -4.970 1.00 1.00 N ATOM 817 CE2 TRP A 49 7.281 -0.011 -3.958 1.00 1.00 C ATOM 818 CE3 TRP A 49 7.509 0.496 -1.602 1.00 1.00 C ATOM 819 CZ2 TRP A 49 8.366 -0.882 -3.897 1.00 1.00 C ATOM 820 CZ3 TRP A 49 8.603 -0.383 -1.537 1.00 1.00 C ATOM 821 CH2 TRP A 49 9.029 -1.070 -2.682 1.00 1.00 C ATOM 0 H TRP A 49 4.671 0.015 -0.512 1.00 1.00 H new ATOM 0 HA TRP A 49 3.123 2.397 -1.100 1.00 1.00 H new ATOM 0 HB2 TRP A 49 4.358 3.167 -2.974 1.00 1.00 H new ATOM 0 HB3 TRP A 49 5.538 3.018 -1.686 1.00 1.00 H new ATOM 0 HD1 TRP A 49 4.703 1.720 -5.113 1.00 1.00 H new ATOM 0 HE1 TRP A 49 6.496 0.061 -5.934 1.00 1.00 H new ATOM 0 HE3 TRP A 49 7.188 1.022 -0.715 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 8.692 -1.408 -4.782 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 9.119 -0.530 -0.600 1.00 1.00 H new ATOM 0 HH2 TRP A 49 9.870 -1.745 -2.625 1.00 1.00 H new ATOM 832 N ILE A 50 2.477 1.090 -3.395 1.00 1.00 N ATOM 833 CA ILE A 50 1.720 0.202 -4.302 1.00 1.00 C ATOM 834 C ILE A 50 1.973 0.605 -5.761 1.00 1.00 C ATOM 835 O ILE A 50 2.221 1.767 -6.082 1.00 1.00 O ATOM 836 CB ILE A 50 0.182 0.271 -3.996 1.00 1.00 C ATOM 837 CG1 ILE A 50 -0.036 0.334 -2.462 1.00 1.00 C ATOM 838 CG2 ILE A 50 -0.532 -0.982 -4.588 1.00 1.00 C ATOM 839 CD1 ILE A 50 -1.525 0.415 -2.109 1.00 1.00 C ATOM 0 H ILE A 50 2.475 2.071 -3.676 1.00 1.00 H new ATOM 0 HA ILE A 50 2.061 -0.821 -4.142 1.00 1.00 H new ATOM 0 HB ILE A 50 -0.240 1.165 -4.455 1.00 1.00 H new ATOM 0 HG12 ILE A 50 0.402 -0.548 -1.995 1.00 1.00 H new ATOM 0 HG13 ILE A 50 0.483 1.202 -2.055 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -1.599 -0.928 -4.372 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -0.381 -1.011 -5.667 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -0.116 -1.884 -4.139 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -1.640 0.458 -1.026 1.00 1.00 H new ATOM 0 HD12 ILE A 50 -1.957 1.311 -2.555 1.00 1.00 H new ATOM 0 HD13 ILE A 50 -2.039 -0.466 -2.494 1.00 1.00 H new ATOM 851 N ASP A 51 1.886 -0.379 -6.650 1.00 1.00 N ATOM 852 CA ASP A 51 2.098 -0.146 -8.098 1.00 1.00 C ATOM 853 C ASP A 51 0.763 -0.177 -8.864 1.00 1.00 C ATOM 854 O ASP A 51 0.171 -1.241 -9.047 1.00 1.00 O ATOM 855 CB ASP A 51 3.055 -1.228 -8.642 1.00 1.00 C ATOM 856 CG ASP A 51 2.469 -2.626 -8.434 1.00 1.00 C ATOM 857 OD1 ASP A 51 1.951 -2.874 -7.359 1.00 1.00 O ATOM 858 OD2 ASP A 51 2.546 -3.426 -9.355 1.00 1.00 O ATOM 0 H ASP A 51 1.672 -1.346 -6.407 1.00 1.00 H new ATOM 0 HA ASP A 51 2.537 0.842 -8.241 1.00 1.00 H new ATOM 0 HB2 ASP A 51 3.236 -1.059 -9.703 1.00 1.00 H new ATOM 0 HB3 ASP A 51 4.019 -1.154 -8.138 1.00 1.00 H new ATOM 863 N ALA A 52 0.302 0.985 -9.312 1.00 1.00 N ATOM 864 CA ALA A 52 -0.962 1.076 -10.069 1.00 1.00 C ATOM 865 C ALA A 52 -0.709 0.815 -11.555 1.00 1.00 C ATOM 866 O ALA A 52 -1.653 0.806 -12.346 1.00 1.00 O ATOM 867 CB ALA A 52 -1.600 2.476 -9.873 1.00 1.00 C ATOM 0 H ALA A 52 0.774 1.878 -9.170 1.00 1.00 H new ATOM 0 HA ALA A 52 -1.651 0.319 -9.694 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -2.532 2.533 -10.435 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -1.804 2.638 -8.815 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -0.913 3.242 -10.231 1.00 1.00 H new ATOM 873 N THR A 53 0.544 0.606 -11.945 1.00 1.00 N ATOM 874 CA THR A 53 0.880 0.341 -13.344 1.00 1.00 C ATOM 875 C THR A 53 0.269 -0.980 -13.775 1.00 1.00 C ATOM 876 O THR A 53 -0.048 -1.831 -12.943 1.00 1.00 O ATOM 877 CB THR A 53 2.411 0.301 -13.525 1.00 1.00 C ATOM 878 OG1 THR A 53 2.705 0.345 -14.914 1.00 1.00 O ATOM 879 CG2 THR A 53 3.035 -0.986 -12.916 1.00 1.00 C ATOM 0 H THR A 53 1.345 0.614 -11.314 1.00 1.00 H new ATOM 0 HA THR A 53 0.477 1.141 -13.965 1.00 1.00 H new ATOM 0 HB THR A 53 2.838 1.158 -13.004 1.00 1.00 H new ATOM 0 HG1 THR A 53 3.676 0.322 -15.044 1.00 1.00 H new ATOM 0 HG21 THR A 53 4.115 -0.973 -13.066 1.00 1.00 H new ATOM 0 HG22 THR A 53 2.817 -1.026 -11.849 1.00 1.00 H new ATOM 0 HG23 THR A 53 2.611 -1.863 -13.406 1.00 1.00 H new ATOM 887 N GLY A 54 0.112 -1.170 -15.081 1.00 1.00 N ATOM 888 CA GLY A 54 -0.486 -2.404 -15.621 1.00 1.00 C ATOM 889 C GLY A 54 -1.954 -2.565 -15.170 1.00 1.00 C ATOM 890 O GLY A 54 -2.832 -2.897 -15.966 1.00 1.00 O ATOM 0 H GLY A 54 0.387 -0.491 -15.791 1.00 1.00 H new ATOM 0 HA2 GLY A 54 -0.439 -2.386 -16.710 1.00 1.00 H new ATOM 0 HA3 GLY A 54 0.094 -3.266 -15.290 1.00 1.00 H new ATOM 894 N LYS A 55 -2.201 -2.326 -13.886 1.00 1.00 N ATOM 895 CA LYS A 55 -3.537 -2.451 -13.311 1.00 1.00 C ATOM 896 C LYS A 55 -4.526 -1.597 -14.105 1.00 1.00 C ATOM 897 O LYS A 55 -4.195 -0.526 -14.617 1.00 1.00 O ATOM 898 CB LYS A 55 -3.530 -2.008 -11.807 1.00 1.00 C ATOM 899 CG LYS A 55 -3.071 -3.152 -10.860 1.00 1.00 C ATOM 900 CD LYS A 55 -1.571 -3.469 -11.059 1.00 1.00 C ATOM 901 CE LYS A 55 -1.141 -4.615 -10.128 1.00 1.00 C ATOM 902 NZ LYS A 55 0.293 -4.940 -10.368 1.00 1.00 N ATOM 0 H LYS A 55 -1.485 -2.042 -13.217 1.00 1.00 H new ATOM 0 HA LYS A 55 -3.844 -3.495 -13.363 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -2.868 -1.151 -11.686 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -4.530 -1.682 -11.522 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -3.251 -2.865 -9.824 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -3.664 -4.047 -11.051 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -1.385 -3.745 -12.097 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -0.974 -2.581 -10.853 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -1.290 -4.327 -9.087 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -1.759 -5.495 -10.307 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 0.509 -5.875 -9.968 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 0.480 -4.949 -11.391 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 0.892 -4.222 -9.913 1.00 1.00 H new ATOM 916 N ALA A 56 -5.756 -2.090 -14.201 1.00 1.00 N ATOM 917 CA ALA A 56 -6.831 -1.405 -14.927 1.00 1.00 C ATOM 918 C ALA A 56 -7.888 -0.933 -13.943 1.00 1.00 C ATOM 919 O ALA A 56 -7.839 -1.225 -12.748 1.00 1.00 O ATOM 920 CB ALA A 56 -7.450 -2.374 -15.953 1.00 1.00 C ATOM 0 H ALA A 56 -6.040 -2.974 -13.780 1.00 1.00 H new ATOM 0 HA ALA A 56 -6.429 -0.539 -15.453 1.00 1.00 H new ATOM 0 HB1 ALA A 56 -8.249 -1.868 -16.495 1.00 1.00 H new ATOM 0 HB2 ALA A 56 -6.683 -2.697 -16.657 1.00 1.00 H new ATOM 0 HB3 ALA A 56 -7.856 -3.242 -15.434 1.00 1.00 H new ATOM 926 N VAL A 57 -8.862 -0.190 -14.456 1.00 1.00 N ATOM 927 CA VAL A 57 -9.944 0.338 -13.650 1.00 1.00 C ATOM 928 C VAL A 57 -10.749 -0.811 -13.040 1.00 1.00 C ATOM 929 O VAL A 57 -10.935 -1.868 -13.644 1.00 1.00 O ATOM 930 CB VAL A 57 -10.861 1.248 -14.519 1.00 1.00 C ATOM 931 CG1 VAL A 57 -11.838 2.032 -13.613 1.00 1.00 C ATOM 932 CG2 VAL A 57 -9.993 2.252 -15.320 1.00 1.00 C ATOM 0 H VAL A 57 -8.919 0.060 -15.443 1.00 1.00 H new ATOM 0 HA VAL A 57 -9.528 0.938 -12.841 1.00 1.00 H new ATOM 0 HB VAL A 57 -11.428 0.622 -15.208 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -12.476 2.666 -14.229 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -12.456 1.331 -13.052 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -11.272 2.652 -12.918 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -10.638 2.887 -15.927 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -9.421 2.871 -14.629 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -9.309 1.705 -15.968 1.00 1.00 H new ATOM 942 N GLY A 58 -11.232 -0.599 -11.820 1.00 1.00 N ATOM 943 CA GLY A 58 -12.025 -1.599 -11.086 1.00 1.00 C ATOM 944 C GLY A 58 -11.341 -1.947 -9.781 1.00 1.00 C ATOM 945 O GLY A 58 -10.248 -1.467 -9.484 1.00 1.00 O ATOM 0 H GLY A 58 -11.089 0.270 -11.305 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -13.024 -1.210 -10.890 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -12.146 -2.496 -11.693 1.00 1.00 H new ATOM 949 N GLU A 59 -11.998 -2.792 -8.992 1.00 1.00 N ATOM 950 CA GLU A 59 -11.464 -3.217 -7.683 1.00 1.00 C ATOM 951 C GLU A 59 -10.737 -4.568 -7.767 1.00 1.00 C ATOM 952 O GLU A 59 -11.266 -5.551 -8.287 1.00 1.00 O ATOM 953 CB GLU A 59 -12.622 -3.285 -6.655 1.00 1.00 C ATOM 954 CG GLU A 59 -13.746 -4.221 -7.155 1.00 1.00 C ATOM 955 CD GLU A 59 -14.898 -4.255 -6.152 1.00 1.00 C ATOM 956 OE1 GLU A 59 -14.628 -4.177 -4.964 1.00 1.00 O ATOM 957 OE2 GLU A 59 -16.032 -4.364 -6.587 1.00 1.00 O ATOM 0 H GLU A 59 -12.902 -3.201 -9.228 1.00 1.00 H new ATOM 0 HA GLU A 59 -10.727 -2.481 -7.361 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -12.244 -3.643 -5.697 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -13.023 -2.286 -6.486 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -14.109 -3.878 -8.124 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -13.352 -5.227 -7.300 1.00 1.00 H new ATOM 964 N HIS A 60 -9.517 -4.593 -7.241 1.00 1.00 N ATOM 965 CA HIS A 60 -8.701 -5.803 -7.227 1.00 1.00 C ATOM 966 C HIS A 60 -7.822 -5.834 -5.982 1.00 1.00 C ATOM 967 O HIS A 60 -7.416 -4.802 -5.446 1.00 1.00 O ATOM 968 CB HIS A 60 -7.839 -5.863 -8.505 1.00 1.00 C ATOM 969 CG HIS A 60 -7.118 -7.190 -8.591 1.00 1.00 C ATOM 970 ND1 HIS A 60 -5.739 -7.284 -8.674 1.00 1.00 N ATOM 971 CD2 HIS A 60 -7.583 -8.481 -8.583 1.00 1.00 C ATOM 972 CE1 HIS A 60 -5.425 -8.594 -8.709 1.00 1.00 C ATOM 973 NE2 HIS A 60 -6.515 -9.365 -8.656 1.00 1.00 N ATOM 0 H HIS A 60 -9.068 -3.782 -6.815 1.00 1.00 H new ATOM 0 HA HIS A 60 -9.354 -6.675 -7.203 1.00 1.00 H new ATOM 0 HB2 HIS A 60 -8.469 -5.727 -9.384 1.00 1.00 H new ATOM 0 HB3 HIS A 60 -7.115 -5.048 -8.502 1.00 1.00 H new ATOM 0 HD2 HIS A 60 -8.623 -8.766 -8.528 1.00 1.00 H new ATOM 0 HE1 HIS A 60 -4.416 -8.974 -8.772 1.00 1.00 H new ATOM 0 HE2 HIS A 60 -6.554 -10.384 -8.667 1.00 1.00 H new ATOM 982 N THR A 61 -7.505 -7.040 -5.527 1.00 1.00 N ATOM 983 CA THR A 61 -6.643 -7.241 -4.354 1.00 1.00 C ATOM 984 C THR A 61 -5.188 -7.335 -4.813 1.00 1.00 C ATOM 985 O THR A 61 -4.893 -7.949 -5.838 1.00 1.00 O ATOM 986 CB THR A 61 -7.051 -8.523 -3.592 1.00 1.00 C ATOM 987 OG1 THR A 61 -8.434 -8.454 -3.279 1.00 1.00 O ATOM 988 CG2 THR A 61 -6.255 -8.647 -2.280 1.00 1.00 C ATOM 0 H THR A 61 -7.833 -7.906 -5.954 1.00 1.00 H new ATOM 0 HA THR A 61 -6.757 -6.396 -3.675 1.00 1.00 H new ATOM 0 HB THR A 61 -6.841 -9.388 -4.221 1.00 1.00 H new ATOM 0 HG1 THR A 61 -8.701 -9.264 -2.797 1.00 1.00 H new ATOM 0 HG21 THR A 61 -6.555 -9.555 -1.757 1.00 1.00 H new ATOM 0 HG22 THR A 61 -5.189 -8.693 -2.504 1.00 1.00 H new ATOM 0 HG23 THR A 61 -6.456 -7.781 -1.649 1.00 1.00 H new ATOM 996 N VAL A 62 -4.274 -6.726 -4.065 1.00 1.00 N ATOM 997 CA VAL A 62 -2.836 -6.745 -4.443 1.00 1.00 C ATOM 998 C VAL A 62 -1.950 -6.819 -3.207 1.00 1.00 C ATOM 999 O VAL A 62 -2.335 -6.419 -2.108 1.00 1.00 O ATOM 1000 CB VAL A 62 -2.485 -5.484 -5.294 1.00 1.00 C ATOM 1001 CG1 VAL A 62 -3.203 -5.537 -6.669 1.00 1.00 C ATOM 1002 CG2 VAL A 62 -2.917 -4.200 -4.549 1.00 1.00 C ATOM 0 H VAL A 62 -4.482 -6.217 -3.206 1.00 1.00 H new ATOM 0 HA VAL A 62 -2.651 -7.635 -5.044 1.00 1.00 H new ATOM 0 HB VAL A 62 -1.406 -5.471 -5.451 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -2.946 -4.650 -7.248 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -2.886 -6.428 -7.211 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -4.282 -5.570 -6.515 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -2.667 -3.328 -5.153 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -3.993 -4.225 -4.375 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -2.396 -4.141 -3.593 1.00 1.00 H new ATOM 1012 N LYS A 63 -0.739 -7.335 -3.394 1.00 1.00 N ATOM 1013 CA LYS A 63 0.231 -7.477 -2.302 1.00 1.00 C ATOM 1014 C LYS A 63 1.139 -6.248 -2.226 1.00 1.00 C ATOM 1015 O LYS A 63 1.438 -5.576 -3.214 1.00 1.00 O ATOM 1016 CB LYS A 63 1.073 -8.752 -2.516 1.00 1.00 C ATOM 1017 CG LYS A 63 0.161 -10.002 -2.484 1.00 1.00 C ATOM 1018 CD LYS A 63 1.002 -11.281 -2.681 1.00 1.00 C ATOM 1019 CE LYS A 63 0.099 -12.523 -2.649 1.00 1.00 C ATOM 1020 NZ LYS A 63 0.934 -13.737 -2.855 1.00 1.00 N ATOM 0 H LYS A 63 -0.400 -7.665 -4.297 1.00 1.00 H new ATOM 0 HA LYS A 63 -0.310 -7.560 -1.359 1.00 1.00 H new ATOM 0 HB2 LYS A 63 1.594 -8.697 -3.472 1.00 1.00 H new ATOM 0 HB3 LYS A 63 1.835 -8.828 -1.741 1.00 1.00 H new ATOM 0 HG2 LYS A 63 -0.369 -10.050 -1.533 1.00 1.00 H new ATOM 0 HG3 LYS A 63 -0.594 -9.930 -3.267 1.00 1.00 H new ATOM 0 HD2 LYS A 63 1.532 -11.233 -3.632 1.00 1.00 H new ATOM 0 HD3 LYS A 63 1.757 -11.352 -1.898 1.00 1.00 H new ATOM 0 HE2 LYS A 63 -0.424 -12.584 -1.694 1.00 1.00 H new ATOM 0 HE3 LYS A 63 -0.663 -12.454 -3.426 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 0.329 -14.582 -2.834 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 1.413 -13.677 -3.776 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 1.645 -13.802 -2.099 1.00 1.00 H new ATOM 1034 N ILE A 64 1.584 -5.941 -1.012 1.00 1.00 N ATOM 1035 CA ILE A 64 2.466 -4.774 -0.770 1.00 1.00 C ATOM 1036 C ILE A 64 3.920 -5.236 -0.783 1.00 1.00 C ATOM 1037 O ILE A 64 4.309 -6.070 0.035 1.00 1.00 O ATOM 1038 CB ILE A 64 2.124 -4.127 0.613 1.00 1.00 C ATOM 1039 CG1 ILE A 64 0.578 -4.049 0.802 1.00 1.00 C ATOM 1040 CG2 ILE A 64 2.733 -2.703 0.704 1.00 1.00 C ATOM 1041 CD1 ILE A 64 -0.109 -3.351 -0.385 1.00 1.00 C ATOM 0 H ILE A 64 1.356 -6.475 -0.173 1.00 1.00 H new ATOM 0 HA ILE A 64 2.313 -4.031 -1.552 1.00 1.00 H new ATOM 0 HB ILE A 64 2.550 -4.748 1.401 1.00 1.00 H new ATOM 0 HG12 ILE A 64 0.175 -5.055 0.915 1.00 1.00 H new ATOM 0 HG13 ILE A 64 0.351 -3.510 1.722 1.00 1.00 H new ATOM 0 HG21 ILE A 64 2.488 -2.264 1.671 1.00 1.00 H new ATOM 0 HG22 ILE A 64 3.816 -2.763 0.597 1.00 1.00 H new ATOM 0 HG23 ILE A 64 2.323 -2.081 -0.092 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -1.185 -3.317 -0.214 1.00 1.00 H new ATOM 0 HD12 ILE A 64 0.275 -2.336 -0.482 1.00 1.00 H new ATOM 0 HD13 ILE A 64 0.096 -3.905 -1.301 1.00 1.00 H new ATOM 1053 N TYR A 65 4.743 -4.722 -1.692 1.00 1.00 N ATOM 1054 CA TYR A 65 6.158 -5.113 -1.777 1.00 1.00 C ATOM 1055 C TYR A 65 6.941 -4.520 -0.599 1.00 1.00 C ATOM 1056 O TYR A 65 7.861 -3.727 -0.799 1.00 1.00 O ATOM 1057 CB TYR A 65 6.778 -4.616 -3.103 1.00 1.00 C ATOM 1058 CG TYR A 65 6.050 -5.224 -4.305 1.00 1.00 C ATOM 1059 CD1 TYR A 65 4.913 -4.588 -4.836 1.00 1.00 C ATOM 1060 CD2 TYR A 65 6.513 -6.420 -4.894 1.00 1.00 C ATOM 1061 CE1 TYR A 65 4.254 -5.136 -5.942 1.00 1.00 C ATOM 1062 CE2 TYR A 65 5.847 -6.961 -6.000 1.00 1.00 C ATOM 1063 CZ TYR A 65 4.717 -6.320 -6.520 1.00 1.00 C ATOM 1064 OH TYR A 65 4.061 -6.853 -7.610 1.00 1.00 O ATOM 0 H TYR A 65 4.459 -4.030 -2.386 1.00 1.00 H new ATOM 0 HA TYR A 65 6.215 -6.201 -1.741 1.00 1.00 H new ATOM 0 HB2 TYR A 65 6.723 -3.528 -3.151 1.00 1.00 H new ATOM 0 HB3 TYR A 65 7.834 -4.883 -3.139 1.00 1.00 H new ATOM 0 HD1 TYR A 65 4.548 -3.675 -4.389 1.00 1.00 H new ATOM 0 HD2 TYR A 65 7.382 -6.918 -4.491 1.00 1.00 H new ATOM 0 HE1 TYR A 65 3.385 -4.642 -6.350 1.00 1.00 H new ATOM 0 HE2 TYR A 65 6.206 -7.874 -6.452 1.00 1.00 H new ATOM 0 HH TYR A 65 4.511 -7.677 -7.892 1.00 1.00 H new ATOM 1074 N TRP A 66 6.586 -4.914 0.619 1.00 1.00 N ATOM 1075 CA TRP A 66 7.246 -4.423 1.830 1.00 1.00 C ATOM 1076 C TRP A 66 8.746 -4.765 1.812 1.00 1.00 C ATOM 1077 O TRP A 66 9.152 -5.813 1.311 1.00 1.00 O ATOM 1078 CB TRP A 66 6.516 -5.020 3.098 1.00 1.00 C ATOM 1079 CG TRP A 66 7.260 -6.211 3.683 1.00 1.00 C ATOM 1080 CD1 TRP A 66 7.746 -6.286 4.945 1.00 1.00 C ATOM 1081 CD2 TRP A 66 7.616 -7.469 3.038 1.00 1.00 C ATOM 1082 NE1 TRP A 66 8.376 -7.500 5.114 1.00 1.00 N ATOM 1083 CE2 TRP A 66 8.320 -8.269 3.970 1.00 1.00 C ATOM 1084 CE3 TRP A 66 7.392 -7.994 1.752 1.00 1.00 C ATOM 1085 CZ2 TRP A 66 8.795 -9.538 3.635 1.00 1.00 C ATOM 1086 CZ3 TRP A 66 7.866 -9.273 1.411 1.00 1.00 C ATOM 1087 CH2 TRP A 66 8.566 -10.043 2.351 1.00 1.00 C ATOM 0 H TRP A 66 5.835 -5.581 0.798 1.00 1.00 H new ATOM 0 HA TRP A 66 7.174 -3.336 1.872 1.00 1.00 H new ATOM 0 HB2 TRP A 66 6.420 -4.245 3.858 1.00 1.00 H new ATOM 0 HB3 TRP A 66 5.506 -5.324 2.824 1.00 1.00 H new ATOM 0 HD1 TRP A 66 7.654 -5.517 5.698 1.00 1.00 H new ATOM 0 HE1 TRP A 66 8.829 -7.794 5.979 1.00 1.00 H new ATOM 0 HE3 TRP A 66 6.852 -7.410 1.021 1.00 1.00 H new ATOM 0 HZ2 TRP A 66 9.336 -10.126 4.362 1.00 1.00 H new ATOM 0 HZ3 TRP A 66 7.690 -9.664 0.420 1.00 1.00 H new ATOM 0 HH2 TRP A 66 8.928 -11.025 2.084 1.00 1.00 H new ATOM 1098 N GLN A 67 9.560 -3.880 2.380 1.00 1.00 N ATOM 1099 CA GLN A 67 11.021 -4.092 2.449 1.00 1.00 C ATOM 1100 C GLN A 67 11.547 -3.653 3.820 1.00 1.00 C ATOM 1101 O GLN A 67 11.268 -2.559 4.310 1.00 1.00 O ATOM 1102 CB GLN A 67 11.745 -3.295 1.343 1.00 1.00 C ATOM 1103 CG GLN A 67 11.328 -3.799 -0.055 1.00 1.00 C ATOM 1104 CD GLN A 67 12.072 -3.024 -1.151 1.00 1.00 C ATOM 1105 OE1 GLN A 67 12.887 -2.145 -0.859 1.00 1.00 O ATOM 1106 NE2 GLN A 67 11.842 -3.306 -2.403 1.00 1.00 N ATOM 0 H GLN A 67 9.243 -3.007 2.802 1.00 1.00 H new ATOM 0 HA GLN A 67 11.219 -5.154 2.302 1.00 1.00 H new ATOM 0 HB2 GLN A 67 11.509 -2.235 1.438 1.00 1.00 H new ATOM 0 HB3 GLN A 67 12.824 -3.394 1.464 1.00 1.00 H new ATOM 0 HG2 GLN A 67 11.545 -4.864 -0.144 1.00 1.00 H new ATOM 0 HG3 GLN A 67 10.252 -3.681 -0.185 1.00 1.00 H new ATOM 0 HE21 GLN A 67 11.169 -4.032 -2.647 1.00 1.00 H new ATOM 0 HE22 GLN A 67 12.335 -2.800 -3.139 1.00 1.00 H new ATOM 1115 N LEU A 68 12.343 -4.523 4.430 1.00 1.00 N ATOM 1116 CA LEU A 68 12.933 -4.258 5.766 1.00 1.00 C ATOM 1117 C LEU A 68 14.484 -4.416 5.714 1.00 1.00 C ATOM 1118 O LEU A 68 14.962 -5.493 5.359 1.00 1.00 O ATOM 1119 CB LEU A 68 12.311 -5.241 6.800 1.00 1.00 C ATOM 1120 CG LEU A 68 10.742 -5.247 6.708 1.00 1.00 C ATOM 1121 CD1 LEU A 68 10.167 -6.359 7.613 1.00 1.00 C ATOM 1122 CD2 LEU A 68 10.149 -3.890 7.177 1.00 1.00 C ATOM 0 H LEU A 68 12.604 -5.425 4.031 1.00 1.00 H new ATOM 0 HA LEU A 68 12.712 -3.234 6.068 1.00 1.00 H new ATOM 0 HB2 LEU A 68 12.692 -6.247 6.624 1.00 1.00 H new ATOM 0 HB3 LEU A 68 12.618 -4.956 7.806 1.00 1.00 H new ATOM 0 HG LEU A 68 10.473 -5.420 5.666 1.00 1.00 H new ATOM 0 HD11 LEU A 68 9.079 -6.358 7.545 1.00 1.00 H new ATOM 0 HD12 LEU A 68 10.550 -7.327 7.288 1.00 1.00 H new ATOM 0 HD13 LEU A 68 10.466 -6.179 8.646 1.00 1.00 H new ATOM 0 HD21 LEU A 68 9.062 -3.923 7.103 1.00 1.00 H new ATOM 0 HD22 LEU A 68 10.437 -3.706 8.212 1.00 1.00 H new ATOM 0 HD23 LEU A 68 10.532 -3.088 6.546 1.00 1.00 H new ATOM 1134 N PRO A 69 15.251 -3.414 6.050 1.00 1.00 N ATOM 1135 CA PRO A 69 16.760 -3.532 6.001 1.00 1.00 C ATOM 1136 C PRO A 69 17.349 -4.213 7.249 1.00 1.00 C ATOM 1137 O PRO A 69 18.150 -3.620 7.973 1.00 1.00 O ATOM 1138 CB PRO A 69 17.203 -2.055 5.860 1.00 1.00 C ATOM 1139 CG PRO A 69 16.202 -1.298 6.697 1.00 1.00 C ATOM 1140 CD PRO A 69 14.855 -2.040 6.505 1.00 1.00 C ATOM 0 HA PRO A 69 17.113 -4.168 5.189 1.00 1.00 H new ATOM 0 HB2 PRO A 69 18.221 -1.906 6.221 1.00 1.00 H new ATOM 0 HB3 PRO A 69 17.183 -1.729 4.820 1.00 1.00 H new ATOM 0 HG2 PRO A 69 16.497 -1.286 7.746 1.00 1.00 H new ATOM 0 HG3 PRO A 69 16.127 -0.259 6.375 1.00 1.00 H new ATOM 0 HD2 PRO A 69 14.285 -2.077 7.434 1.00 1.00 H new ATOM 0 HD3 PRO A 69 14.228 -1.541 5.766 1.00 1.00 H new ATOM 1148 N ALA A 70 16.960 -5.461 7.486 1.00 1.00 N ATOM 1149 CA ALA A 70 17.456 -6.220 8.647 1.00 1.00 C ATOM 1150 C ALA A 70 17.122 -7.716 8.518 1.00 1.00 C ATOM 1151 O ALA A 70 17.055 -8.279 7.425 1.00 1.00 O ATOM 1152 CB ALA A 70 16.825 -5.631 9.927 1.00 1.00 C ATOM 0 H ALA A 70 16.305 -5.974 6.896 1.00 1.00 H new ATOM 0 HA ALA A 70 18.542 -6.135 8.695 1.00 1.00 H new ATOM 0 HB1 ALA A 70 17.183 -6.183 10.796 1.00 1.00 H new ATOM 0 HB2 ALA A 70 17.106 -4.582 10.022 1.00 1.00 H new ATOM 0 HB3 ALA A 70 15.740 -5.711 9.868 1.00 1.00 H new ATOM 1158 N GLY A 71 16.904 -8.359 9.661 1.00 1.00 N ATOM 1159 CA GLY A 71 16.570 -9.802 9.737 1.00 1.00 C ATOM 1160 C GLY A 71 15.157 -9.997 10.259 1.00 1.00 C ATOM 1161 O GLY A 71 14.927 -10.769 11.190 1.00 1.00 O ATOM 0 H GLY A 71 16.951 -7.903 10.572 1.00 1.00 H new ATOM 0 HA2 GLY A 71 16.665 -10.255 8.750 1.00 1.00 H new ATOM 0 HA3 GLY A 71 17.278 -10.311 10.391 1.00 1.00 H new ATOM 1165 N ILE A 72 14.208 -9.285 9.662 1.00 1.00 N ATOM 1166 CA ILE A 72 12.787 -9.350 10.057 1.00 1.00 C ATOM 1167 C ILE A 72 11.972 -10.132 9.024 1.00 1.00 C ATOM 1168 O ILE A 72 12.174 -10.028 7.815 1.00 1.00 O ATOM 1169 CB ILE A 72 12.220 -7.915 10.187 1.00 1.00 C ATOM 1170 CG1 ILE A 72 13.013 -7.152 11.288 1.00 1.00 C ATOM 1171 CG2 ILE A 72 10.705 -7.971 10.576 1.00 1.00 C ATOM 1172 CD1 ILE A 72 12.644 -5.663 11.297 1.00 1.00 C ATOM 0 H ILE A 72 14.391 -8.644 8.890 1.00 1.00 H new ATOM 0 HA ILE A 72 12.716 -9.864 11.016 1.00 1.00 H new ATOM 0 HB ILE A 72 12.321 -7.398 9.233 1.00 1.00 H new ATOM 0 HG12 ILE A 72 12.800 -7.589 12.264 1.00 1.00 H new ATOM 0 HG13 ILE A 72 14.083 -7.264 11.115 1.00 1.00 H new ATOM 0 HG21 ILE A 72 10.315 -6.957 10.665 1.00 1.00 H new ATOM 0 HG22 ILE A 72 10.151 -8.507 9.805 1.00 1.00 H new ATOM 0 HG23 ILE A 72 10.593 -8.488 11.529 1.00 1.00 H new ATOM 0 HD11 ILE A 72 13.211 -5.152 12.075 1.00 1.00 H new ATOM 0 HD12 ILE A 72 12.880 -5.224 10.328 1.00 1.00 H new ATOM 0 HD13 ILE A 72 11.578 -5.554 11.495 1.00 1.00 H new ATOM 1184 N GLU A 73 11.031 -10.924 9.528 1.00 1.00 N ATOM 1185 CA GLU A 73 10.147 -11.747 8.676 1.00 1.00 C ATOM 1186 C GLU A 73 8.717 -11.219 8.743 1.00 1.00 C ATOM 1187 O GLU A 73 8.302 -10.584 9.714 1.00 1.00 O ATOM 1188 CB GLU A 73 10.191 -13.216 9.150 1.00 1.00 C ATOM 1189 CG GLU A 73 11.622 -13.779 8.990 1.00 1.00 C ATOM 1190 CD GLU A 73 11.694 -15.238 9.455 1.00 1.00 C ATOM 1191 OE1 GLU A 73 10.656 -15.807 9.764 1.00 1.00 O ATOM 1192 OE2 GLU A 73 12.792 -15.765 9.497 1.00 1.00 O ATOM 0 H GLU A 73 10.852 -11.021 10.527 1.00 1.00 H new ATOM 0 HA GLU A 73 10.493 -11.693 7.644 1.00 1.00 H new ATOM 0 HB2 GLU A 73 9.880 -13.280 10.193 1.00 1.00 H new ATOM 0 HB3 GLU A 73 9.488 -13.815 8.571 1.00 1.00 H new ATOM 0 HG2 GLU A 73 11.929 -13.711 7.946 1.00 1.00 H new ATOM 0 HG3 GLU A 73 12.321 -13.175 9.568 1.00 1.00 H new ATOM 1199 N MET A 74 7.943 -11.489 7.698 1.00 1.00 N ATOM 1200 CA MET A 74 6.536 -11.038 7.634 1.00 1.00 C ATOM 1201 C MET A 74 5.620 -12.150 8.133 1.00 1.00 C ATOM 1202 O MET A 74 5.542 -13.226 7.538 1.00 1.00 O ATOM 1203 CB MET A 74 6.144 -10.659 6.177 1.00 1.00 C ATOM 1204 CG MET A 74 4.793 -9.849 6.140 1.00 1.00 C ATOM 1205 SD MET A 74 3.902 -10.161 4.586 1.00 1.00 S ATOM 1206 CE MET A 74 5.023 -9.276 3.478 1.00 1.00 C ATOM 0 H MET A 74 8.254 -12.015 6.881 1.00 1.00 H new ATOM 0 HA MET A 74 6.426 -10.156 8.265 1.00 1.00 H new ATOM 0 HB2 MET A 74 6.939 -10.065 5.727 1.00 1.00 H new ATOM 0 HB3 MET A 74 6.044 -11.564 5.578 1.00 1.00 H new ATOM 0 HG2 MET A 74 4.169 -10.134 6.987 1.00 1.00 H new ATOM 0 HG3 MET A 74 4.999 -8.783 6.240 1.00 1.00 H new ATOM 0 HE1 MET A 74 4.583 -9.223 2.482 1.00 1.00 H new ATOM 0 HE2 MET A 74 5.188 -8.267 3.857 1.00 1.00 H new ATOM 0 HE3 MET A 74 5.975 -9.804 3.426 1.00 1.00 H new ATOM 1216 N VAL A 75 4.901 -11.899 9.222 1.00 1.00 N ATOM 1217 CA VAL A 75 3.990 -12.909 9.769 1.00 1.00 C ATOM 1218 C VAL A 75 2.948 -13.270 8.727 1.00 1.00 C ATOM 1219 O VAL A 75 2.980 -14.365 8.167 1.00 1.00 O ATOM 1220 CB VAL A 75 3.285 -12.372 11.045 1.00 1.00 C ATOM 1221 CG1 VAL A 75 2.272 -13.404 11.617 1.00 1.00 C ATOM 1222 CG2 VAL A 75 4.348 -12.059 12.126 1.00 1.00 C ATOM 0 H VAL A 75 4.927 -11.020 9.740 1.00 1.00 H new ATOM 0 HA VAL A 75 4.567 -13.795 10.034 1.00 1.00 H new ATOM 0 HB VAL A 75 2.738 -11.470 10.771 1.00 1.00 H new ATOM 0 HG11 VAL A 75 1.799 -12.993 12.509 1.00 1.00 H new ATOM 0 HG12 VAL A 75 1.510 -13.619 10.868 1.00 1.00 H new ATOM 0 HG13 VAL A 75 2.797 -14.324 11.876 1.00 1.00 H new ATOM 0 HG21 VAL A 75 3.855 -11.682 13.022 1.00 1.00 H new ATOM 0 HG22 VAL A 75 4.898 -12.968 12.369 1.00 1.00 H new ATOM 0 HG23 VAL A 75 5.040 -11.306 11.749 1.00 1.00 H new ATOM 1232 N SER A 76 2.002 -12.370 8.476 1.00 1.00 N ATOM 1233 CA SER A 76 0.928 -12.610 7.526 1.00 1.00 C ATOM 1234 C SER A 76 0.066 -11.382 7.409 1.00 1.00 C ATOM 1235 O SER A 76 0.027 -10.558 8.323 1.00 1.00 O ATOM 1236 CB SER A 76 0.037 -13.733 8.048 1.00 1.00 C ATOM 1237 OG SER A 76 -1.025 -13.943 7.132 1.00 1.00 O ATOM 0 H SER A 76 1.961 -11.456 8.926 1.00 1.00 H new ATOM 0 HA SER A 76 1.367 -12.867 6.562 1.00 1.00 H new ATOM 0 HB2 SER A 76 0.617 -14.648 8.169 1.00 1.00 H new ATOM 0 HB3 SER A 76 -0.359 -13.474 9.030 1.00 1.00 H new ATOM 0 HG SER A 76 -1.602 -14.665 7.459 1.00 1.00 H new ATOM 1243 N ILE A 77 -0.642 -11.255 6.292 1.00 1.00 N ATOM 1244 CA ILE A 77 -1.578 -10.132 6.097 1.00 1.00 C ATOM 1245 C ILE A 77 -0.838 -8.777 6.198 1.00 1.00 C ATOM 1246 O ILE A 77 0.324 -8.782 6.606 1.00 1.00 O ATOM 1247 CB ILE A 77 -2.800 -10.274 7.151 1.00 1.00 C ATOM 1248 CG1 ILE A 77 -2.577 -9.450 8.480 1.00 1.00 C ATOM 1249 CG2 ILE A 77 -3.069 -11.759 7.512 1.00 1.00 C ATOM 1250 CD1 ILE A 77 -3.845 -9.407 9.326 1.00 1.00 C ATOM 0 H ILE A 77 -0.593 -11.906 5.508 1.00 1.00 H new ATOM 0 HA ILE A 77 -2.002 -10.164 5.093 1.00 1.00 H new ATOM 0 HB ILE A 77 -3.668 -9.856 6.642 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -1.768 -9.898 9.057 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.268 -8.434 8.233 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.895 -11.817 8.221 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -3.326 -12.312 6.609 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -2.175 -12.192 7.960 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -3.658 -8.833 10.233 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -4.646 -8.936 8.757 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.139 -10.422 9.593 1.00 1.00 H new ATOM 1262 N PRO A 78 -1.459 -7.660 5.937 1.00 1.00 N ATOM 1263 CA PRO A 78 -2.871 -7.513 5.433 1.00 1.00 C ATOM 1264 C PRO A 78 -2.923 -7.248 3.954 1.00 1.00 C ATOM 1265 O PRO A 78 -1.948 -6.837 3.325 1.00 1.00 O ATOM 1266 CB PRO A 78 -3.391 -6.321 6.243 1.00 1.00 C ATOM 1267 CG PRO A 78 -2.175 -5.427 6.415 1.00 1.00 C ATOM 1268 CD PRO A 78 -0.901 -6.312 6.126 1.00 1.00 C ATOM 0 HA PRO A 78 -3.466 -8.418 5.560 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -4.194 -5.804 5.719 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -3.791 -6.638 7.206 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -2.219 -4.581 5.729 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -2.138 -5.018 7.424 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -0.367 -5.970 5.239 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -0.194 -6.282 6.955 1.00 1.00 H new ATOM 1276 N ASP A 79 -4.100 -7.479 3.384 1.00 1.00 N ATOM 1277 CA ASP A 79 -4.375 -7.274 1.973 1.00 1.00 C ATOM 1278 C ASP A 79 -5.126 -5.966 1.823 1.00 1.00 C ATOM 1279 O ASP A 79 -5.778 -5.445 2.728 1.00 1.00 O ATOM 1280 CB ASP A 79 -5.211 -8.464 1.398 1.00 1.00 C ATOM 1281 CG ASP A 79 -6.141 -9.037 2.472 1.00 1.00 C ATOM 1282 OD1 ASP A 79 -5.629 -9.610 3.418 1.00 1.00 O ATOM 1283 OD2 ASP A 79 -7.346 -8.885 2.338 1.00 1.00 O ATOM 0 H ASP A 79 -4.907 -7.822 3.906 1.00 1.00 H new ATOM 0 HA ASP A 79 -3.441 -7.231 1.412 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -5.798 -8.125 0.544 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -4.542 -9.244 1.035 1.00 1.00 H new ATOM 1288 N VAL A 80 -5.025 -5.389 0.631 1.00 1.00 N ATOM 1289 CA VAL A 80 -5.678 -4.113 0.321 1.00 1.00 C ATOM 1290 C VAL A 80 -6.674 -4.284 -0.817 1.00 1.00 C ATOM 1291 O VAL A 80 -6.419 -4.954 -1.818 1.00 1.00 O ATOM 1292 CB VAL A 80 -4.603 -3.061 -0.037 1.00 1.00 C ATOM 1293 CG1 VAL A 80 -3.713 -2.781 1.202 1.00 1.00 C ATOM 1294 CG2 VAL A 80 -3.721 -3.562 -1.200 1.00 1.00 C ATOM 0 H VAL A 80 -4.494 -5.785 -0.145 1.00 1.00 H new ATOM 0 HA VAL A 80 -6.231 -3.769 1.195 1.00 1.00 H new ATOM 0 HB VAL A 80 -5.104 -2.143 -0.345 1.00 1.00 H new ATOM 0 HG11 VAL A 80 -2.956 -2.039 0.946 1.00 1.00 H new ATOM 0 HG12 VAL A 80 -4.331 -2.403 2.016 1.00 1.00 H new ATOM 0 HG13 VAL A 80 -3.225 -3.704 1.515 1.00 1.00 H new ATOM 0 HG21 VAL A 80 -2.970 -2.808 -1.438 1.00 1.00 H new ATOM 0 HG22 VAL A 80 -3.226 -4.488 -0.908 1.00 1.00 H new ATOM 0 HG23 VAL A 80 -4.343 -3.744 -2.076 1.00 1.00 H new ATOM 1304 N THR A 81 -7.827 -3.639 -0.669 1.00 1.00 N ATOM 1305 CA THR A 81 -8.888 -3.684 -1.686 1.00 1.00 C ATOM 1306 C THR A 81 -9.558 -2.314 -1.783 1.00 1.00 C ATOM 1307 O THR A 81 -10.022 -1.762 -0.784 1.00 1.00 O ATOM 1308 CB THR A 81 -9.925 -4.778 -1.322 1.00 1.00 C ATOM 1309 OG1 THR A 81 -9.231 -5.970 -0.977 1.00 1.00 O ATOM 1310 CG2 THR A 81 -10.846 -5.065 -2.527 1.00 1.00 C ATOM 0 H THR A 81 -8.057 -3.074 0.148 1.00 1.00 H new ATOM 0 HA THR A 81 -8.455 -3.933 -2.655 1.00 1.00 H new ATOM 0 HB THR A 81 -10.532 -4.433 -0.485 1.00 1.00 H new ATOM 0 HG1 THR A 81 -9.877 -6.669 -0.743 1.00 1.00 H new ATOM 0 HG21 THR A 81 -11.569 -5.835 -2.257 1.00 1.00 H new ATOM 0 HG22 THR A 81 -11.374 -4.153 -2.807 1.00 1.00 H new ATOM 0 HG23 THR A 81 -10.246 -5.410 -3.369 1.00 1.00 H new ATOM 1318 N TYR A 82 -9.623 -1.768 -2.992 1.00 1.00 N ATOM 1319 CA TYR A 82 -10.252 -0.462 -3.214 1.00 1.00 C ATOM 1320 C TYR A 82 -10.947 -0.432 -4.561 1.00 1.00 C ATOM 1321 O TYR A 82 -11.054 -1.426 -5.277 1.00 1.00 O ATOM 1322 CB TYR A 82 -9.187 0.650 -3.100 1.00 1.00 C ATOM 1323 CG TYR A 82 -7.998 0.350 -4.025 1.00 1.00 C ATOM 1324 CD1 TYR A 82 -8.033 0.745 -5.376 1.00 1.00 C ATOM 1325 CD2 TYR A 82 -6.855 -0.322 -3.533 1.00 1.00 C ATOM 1326 CE1 TYR A 82 -6.943 0.476 -6.217 1.00 1.00 C ATOM 1327 CE2 TYR A 82 -5.772 -0.586 -4.384 1.00 1.00 C ATOM 1328 CZ TYR A 82 -5.818 -0.188 -5.722 1.00 1.00 C ATOM 1329 OH TYR A 82 -4.752 -0.454 -6.558 1.00 1.00 O ATOM 0 H TYR A 82 -9.250 -2.205 -3.835 1.00 1.00 H new ATOM 0 HA TYR A 82 -11.011 -0.289 -2.451 1.00 1.00 H new ATOM 0 HB2 TYR A 82 -9.627 1.612 -3.363 1.00 1.00 H new ATOM 0 HB3 TYR A 82 -8.843 0.728 -2.069 1.00 1.00 H new ATOM 0 HD1 TYR A 82 -8.901 1.256 -5.766 1.00 1.00 H new ATOM 0 HD2 TYR A 82 -6.816 -0.633 -2.499 1.00 1.00 H new ATOM 0 HE1 TYR A 82 -6.974 0.784 -7.252 1.00 1.00 H new ATOM 0 HE2 TYR A 82 -4.900 -1.098 -4.004 1.00 1.00 H new ATOM 0 HH TYR A 82 -4.051 -0.920 -6.056 1.00 1.00 H new ATOM 1339 N THR A 83 -11.449 0.741 -4.934 1.00 1.00 N ATOM 1340 CA THR A 83 -12.171 0.910 -6.233 1.00 1.00 C ATOM 1341 C THR A 83 -11.565 2.049 -7.057 1.00 1.00 C ATOM 1342 O THR A 83 -11.662 3.221 -6.692 1.00 1.00 O ATOM 1343 CB THR A 83 -13.670 1.193 -5.960 1.00 1.00 C ATOM 1344 OG1 THR A 83 -14.182 0.189 -5.097 1.00 1.00 O ATOM 1345 CG2 THR A 83 -14.483 1.178 -7.273 1.00 1.00 C ATOM 0 H THR A 83 -11.381 1.592 -4.376 1.00 1.00 H new ATOM 0 HA THR A 83 -12.071 -0.011 -6.806 1.00 1.00 H new ATOM 0 HB THR A 83 -13.758 2.178 -5.502 1.00 1.00 H new ATOM 0 HG1 THR A 83 -15.130 0.363 -4.919 1.00 1.00 H new ATOM 0 HG21 THR A 83 -15.532 1.379 -7.054 1.00 1.00 H new ATOM 0 HG22 THR A 83 -14.100 1.944 -7.947 1.00 1.00 H new ATOM 0 HG23 THR A 83 -14.392 0.200 -7.746 1.00 1.00 H new ATOM 1353 N LEU A 84 -10.950 1.706 -8.183 1.00 1.00 N ATOM 1354 CA LEU A 84 -10.338 2.706 -9.071 1.00 1.00 C ATOM 1355 C LEU A 84 -11.359 3.160 -10.115 1.00 1.00 C ATOM 1356 O LEU A 84 -12.081 2.355 -10.703 1.00 1.00 O ATOM 1357 CB LEU A 84 -9.089 2.104 -9.760 1.00 1.00 C ATOM 1358 CG LEU A 84 -8.274 3.176 -10.559 1.00 1.00 C ATOM 1359 CD1 LEU A 84 -7.779 4.332 -9.624 1.00 1.00 C ATOM 1360 CD2 LEU A 84 -7.053 2.493 -11.245 1.00 1.00 C ATOM 0 H LEU A 84 -10.858 0.744 -8.509 1.00 1.00 H new ATOM 0 HA LEU A 84 -10.028 3.571 -8.484 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -8.446 1.649 -9.007 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -9.399 1.308 -10.437 1.00 1.00 H new ATOM 0 HG LEU A 84 -8.929 3.612 -11.313 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -7.217 5.059 -10.210 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -8.638 4.822 -9.165 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -7.137 3.920 -8.845 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -6.485 3.238 -11.802 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -6.414 2.042 -10.486 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -7.405 1.720 -11.928 1.00 1.00 H new ATOM 1372 N LYS A 85 -11.422 4.466 -10.353 1.00 1.00 N ATOM 1373 CA LYS A 85 -12.361 5.049 -11.335 1.00 1.00 C ATOM 1374 C LYS A 85 -11.639 6.048 -12.229 1.00 1.00 C ATOM 1375 O LYS A 85 -10.561 6.551 -11.916 1.00 1.00 O ATOM 1376 CB LYS A 85 -13.532 5.735 -10.594 1.00 1.00 C ATOM 1377 CG LYS A 85 -14.357 4.678 -9.825 1.00 1.00 C ATOM 1378 CD LYS A 85 -15.542 5.346 -9.098 1.00 1.00 C ATOM 1379 CE LYS A 85 -16.352 4.282 -8.336 1.00 1.00 C ATOM 1380 NZ LYS A 85 -16.858 3.261 -9.298 1.00 1.00 N ATOM 0 H LYS A 85 -10.834 5.154 -9.881 1.00 1.00 H new ATOM 0 HA LYS A 85 -12.759 4.252 -11.963 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -13.147 6.484 -9.901 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -14.169 6.258 -11.307 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -14.727 3.922 -10.517 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -13.721 4.166 -9.103 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -15.175 6.103 -8.405 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -16.181 5.856 -9.818 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -15.728 3.807 -7.579 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -17.186 4.750 -7.813 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -17.841 3.018 -9.061 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -16.819 3.645 -10.264 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -16.267 2.407 -9.241 1.00 1.00 H new ATOM 1394 N ALA A 86 -12.253 6.345 -13.369 1.00 1.00 N ATOM 1395 CA ALA A 86 -11.696 7.280 -14.349 1.00 1.00 C ATOM 1396 C ALA A 86 -11.900 8.724 -13.898 1.00 1.00 C ATOM 1397 O ALA A 86 -12.854 9.045 -13.188 1.00 1.00 O ATOM 1398 CB ALA A 86 -12.373 7.056 -15.716 1.00 1.00 C ATOM 0 H ALA A 86 -13.151 5.946 -13.643 1.00 1.00 H new ATOM 0 HA ALA A 86 -10.625 7.098 -14.437 1.00 1.00 H new ATOM 0 HB1 ALA A 86 -11.959 7.752 -16.446 1.00 1.00 H new ATOM 0 HB2 ALA A 86 -12.194 6.033 -16.048 1.00 1.00 H new ATOM 0 HB3 ALA A 86 -13.446 7.224 -15.623 1.00 1.00 H new ATOM 1404 N LYS A 87 -10.994 9.599 -14.321 1.00 1.00 N ATOM 1405 CA LYS A 87 -11.067 11.016 -13.972 1.00 1.00 C ATOM 1406 C LYS A 87 -12.365 11.626 -14.519 1.00 1.00 C ATOM 1407 O LYS A 87 -12.717 11.442 -15.685 1.00 1.00 O ATOM 1408 CB LYS A 87 -9.834 11.762 -14.554 1.00 1.00 C ATOM 1409 CG LYS A 87 -9.891 13.307 -14.326 1.00 1.00 C ATOM 1410 CD LYS A 87 -9.887 13.651 -12.820 1.00 1.00 C ATOM 1411 CE LYS A 87 -9.840 15.170 -12.607 1.00 1.00 C ATOM 1412 NZ LYS A 87 -9.848 15.449 -11.142 1.00 1.00 N ATOM 0 H LYS A 87 -10.197 9.352 -14.908 1.00 1.00 H new ATOM 0 HA LYS A 87 -11.064 11.119 -12.887 1.00 1.00 H new ATOM 0 HB2 LYS A 87 -8.927 11.366 -14.096 1.00 1.00 H new ATOM 0 HB3 LYS A 87 -9.766 11.560 -15.623 1.00 1.00 H new ATOM 0 HG2 LYS A 87 -9.038 13.780 -14.812 1.00 1.00 H new ATOM 0 HG3 LYS A 87 -10.789 13.713 -14.792 1.00 1.00 H new ATOM 0 HD2 LYS A 87 -10.779 13.240 -12.346 1.00 1.00 H new ATOM 0 HD3 LYS A 87 -9.027 13.185 -12.338 1.00 1.00 H new ATOM 0 HE2 LYS A 87 -8.944 15.588 -13.066 1.00 1.00 H new ATOM 0 HE3 LYS A 87 -10.696 15.645 -13.087 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 -9.816 16.476 -10.984 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 -10.715 15.060 -10.719 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 -9.018 15.005 -10.700 1.00 1.00 H new