USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 878 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 60 LYS NZ :NH3+ -138:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 MET CE :methyl 174:sc= -1.01 (180deg=-1.04) USER MOD Set 1.3: A 88 MET CE :methyl -139:sc= -2.23! (180deg=-2.34!) USER MOD Set 2.1: A 21 ASN : amide:sc= -0.481 K(o=-0.48,f=-2.1!) USER MOD Set 2.2: A 72 MET CE :methyl -156:sc= 0 (180deg=0) USER MOD Set 3.1: A 17 GLN : amide:sc= -0.0318 K(o=-0.062,f=-1.1) USER MOD Set 3.2: A 76 TYR OH : rot 180:sc= -0.0301 USER MOD Single : A 16 MET CE :methyl 158:sc= -1.58 (180deg=-3.66!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 165:sc= -0.692 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -3.07! C(o=-3.1!,f=-5.3!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -112:sc= -0.314 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -115:sc= -0.0205 (180deg=-2.69!) USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0225) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.0359 X(o=-0.036,f=0) USER MOD Single : A 71 MET CE :methyl -172:sc= -3.07 (180deg=-3.54!) USER MOD Single : A 74 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.8!) USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= -0.011 (180deg=-0.177) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : A 81 SER OG : rot 56:sc= 0.392 USER MOD Single : A 82 MET CE :methyl 141:sc= -0.395 (180deg=-1.33) USER MOD Single : A 89 MET CE :methyl -137:sc= -0.849 (180deg=-1.96) USER MOD Single : A 91 ASN : amide:sc= 0.337 X(o=0.34,f=0) USER MOD Single : A 92 ASN : amide:sc= -0.431 X(o=-0.43,f=-0.93) USER MOD Single : A 94 CYS SG : rot 58:sc= 0.328 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -2.12 F(o=-3!,f=-2.1) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HE2:sc= -0.148 X(o=-0.15,f=-0.58) USER MOD Single : A 112 LYS NZ :NH3+ 145:sc= -0.322 (180deg=-1.78!) USER MOD Single : A 117 THR OG1 : rot 170:sc= -0.0157 USER MOD ----------------------------------------------------------------- ATOM 195 N PRO A 15 -8.439 17.222 0.674 1.00 0.00 N ATOM 196 CA PRO A 15 -9.139 15.964 0.950 1.00 0.00 C ATOM 197 C PRO A 15 -8.264 14.743 0.686 1.00 0.00 C ATOM 198 O PRO A 15 -8.531 13.655 1.196 1.00 0.00 O ATOM 199 CB PRO A 15 -10.320 15.995 -0.023 1.00 0.00 C ATOM 200 CG PRO A 15 -9.869 16.872 -1.139 1.00 0.00 C ATOM 201 CD PRO A 15 -8.971 17.905 -0.516 1.00 0.00 C ATOM 0 HA PRO A 15 -9.432 15.882 1.997 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.565 14.995 -0.380 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.216 16.391 0.455 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -9.336 16.297 -1.896 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.719 17.341 -1.635 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.174 18.207 -1.196 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.521 18.807 -0.249 1.00 0.00 H new ATOM 209 N MET A 16 -7.218 14.932 -0.112 1.00 0.00 N ATOM 210 CA MET A 16 -6.303 13.845 -0.441 1.00 0.00 C ATOM 211 C MET A 16 -5.533 13.390 0.794 1.00 0.00 C ATOM 212 O MET A 16 -5.193 12.214 0.925 1.00 0.00 O ATOM 213 CB MET A 16 -5.325 14.286 -1.532 1.00 0.00 C ATOM 214 CG MET A 16 -4.145 15.086 -1.003 1.00 0.00 C ATOM 215 SD MET A 16 -2.838 14.037 -0.338 1.00 0.00 S ATOM 216 CE MET A 16 -2.553 12.934 -1.720 1.00 0.00 C ATOM 0 H MET A 16 -6.983 15.826 -0.542 1.00 0.00 H new ATOM 0 HA MET A 16 -6.893 13.006 -0.809 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.952 13.404 -2.052 1.00 0.00 H new ATOM 0 HB3 MET A 16 -5.860 14.887 -2.267 1.00 0.00 H new ATOM 0 HG2 MET A 16 -3.739 15.701 -1.806 1.00 0.00 H new ATOM 0 HG3 MET A 16 -4.491 15.766 -0.225 1.00 0.00 H new ATOM 0 HE1 MET A 16 -1.556 12.501 -1.640 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.297 12.137 -1.709 1.00 0.00 H new ATOM 0 HE3 MET A 16 -2.632 13.492 -2.653 1.00 0.00 H new ATOM 226 N GLN A 17 -5.262 14.327 1.696 1.00 0.00 N ATOM 227 CA GLN A 17 -4.531 14.021 2.920 1.00 0.00 C ATOM 228 C GLN A 17 -5.252 12.949 3.731 1.00 0.00 C ATOM 229 O GLN A 17 -4.663 11.933 4.097 1.00 0.00 O ATOM 230 CB GLN A 17 -4.356 15.284 3.765 1.00 0.00 C ATOM 231 CG GLN A 17 -3.160 15.228 4.702 1.00 0.00 C ATOM 232 CD GLN A 17 -1.890 15.749 4.060 1.00 0.00 C ATOM 233 OE1 GLN A 17 -1.628 15.498 2.883 1.00 0.00 O ATOM 234 NE2 GLN A 17 -1.092 16.479 4.831 1.00 0.00 N ATOM 0 H GLN A 17 -5.538 15.305 1.603 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.549 13.641 2.640 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.248 16.143 3.102 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.260 15.446 4.352 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.376 15.812 5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.004 14.198 5.024 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.348 16.662 5.801 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.223 16.856 4.453 1.00 0.00 H new ATOM 243 N GLN A 18 -6.531 13.185 4.009 1.00 0.00 N ATOM 244 CA GLN A 18 -7.331 12.239 4.778 1.00 0.00 C ATOM 245 C GLN A 18 -7.561 10.954 3.990 1.00 0.00 C ATOM 246 O GLN A 18 -7.551 9.858 4.552 1.00 0.00 O ATOM 247 CB GLN A 18 -8.674 12.866 5.157 1.00 0.00 C ATOM 248 CG GLN A 18 -8.542 14.123 6.001 1.00 0.00 C ATOM 249 CD GLN A 18 -9.744 14.355 6.896 1.00 0.00 C ATOM 250 OE1 GLN A 18 -10.757 14.905 6.463 1.00 0.00 O ATOM 251 NE2 GLN A 18 -9.637 13.936 8.151 1.00 0.00 N ATOM 0 H GLN A 18 -7.034 14.022 3.714 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.783 11.993 5.687 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.223 13.106 4.247 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.267 12.132 5.703 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.645 14.051 6.616 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.411 14.984 5.345 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.778 13.485 8.467 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.414 14.065 8.800 1.00 0.00 H new ATOM 260 N LYS A 19 -7.769 11.095 2.685 1.00 0.00 N ATOM 261 CA LYS A 19 -8.001 9.945 1.819 1.00 0.00 C ATOM 262 C LYS A 19 -6.963 8.856 2.070 1.00 0.00 C ATOM 263 O LYS A 19 -7.306 7.687 2.252 1.00 0.00 O ATOM 264 CB LYS A 19 -7.963 10.372 0.350 1.00 0.00 C ATOM 265 CG LYS A 19 -9.317 10.793 -0.197 1.00 0.00 C ATOM 266 CD LYS A 19 -9.433 10.503 -1.684 1.00 0.00 C ATOM 267 CE LYS A 19 -10.874 10.599 -2.159 1.00 0.00 C ATOM 268 NZ LYS A 19 -11.239 11.990 -2.545 1.00 0.00 N ATOM 0 H LYS A 19 -7.782 11.994 2.204 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.987 9.542 2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.262 11.200 0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.579 9.547 -0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.107 10.267 0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.466 11.858 -0.020 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.817 11.208 -2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.046 9.506 -1.893 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.020 9.935 -3.011 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.541 10.255 -1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.229 12.014 -2.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.124 12.619 -1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.620 12.310 -3.317 1.00 0.00 H new ATOM 282 N LEU A 20 -5.694 9.247 2.079 1.00 0.00 N ATOM 283 CA LEU A 20 -4.605 8.304 2.309 1.00 0.00 C ATOM 284 C LEU A 20 -4.874 7.452 3.546 1.00 0.00 C ATOM 285 O LEU A 20 -4.712 6.233 3.519 1.00 0.00 O ATOM 286 CB LEU A 20 -3.281 9.053 2.471 1.00 0.00 C ATOM 287 CG LEU A 20 -2.738 9.735 1.215 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.878 10.932 1.587 1.00 0.00 C ATOM 289 CD2 LEU A 20 -1.944 8.747 0.372 1.00 0.00 C ATOM 0 H LEU A 20 -5.393 10.210 1.930 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.540 7.645 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.407 9.810 3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.530 8.350 2.832 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.582 10.090 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.500 11.405 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.477 11.650 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.040 10.601 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.565 9.250 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.107 8.362 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.590 7.921 0.075 1.00 0.00 H new ATOM 301 N ASN A 21 -5.289 8.103 4.627 1.00 0.00 N ATOM 302 CA ASN A 21 -5.584 7.405 5.874 1.00 0.00 C ATOM 303 C ASN A 21 -6.764 6.455 5.699 1.00 0.00 C ATOM 304 O ASN A 21 -6.705 5.295 6.108 1.00 0.00 O ATOM 305 CB ASN A 21 -5.885 8.411 6.987 1.00 0.00 C ATOM 306 CG ASN A 21 -6.199 7.735 8.307 1.00 0.00 C ATOM 307 OD1 ASN A 21 -7.215 7.052 8.441 1.00 0.00 O ATOM 308 ND2 ASN A 21 -5.327 7.922 9.291 1.00 0.00 N ATOM 0 H ASN A 21 -5.429 9.113 4.666 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.707 6.820 6.150 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.029 9.073 7.116 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.729 9.034 6.691 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.486 7.492 10.202 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.498 8.496 9.136 1.00 0.00 H new ATOM 315 N GLU A 22 -7.834 6.954 5.089 1.00 0.00 N ATOM 316 CA GLU A 22 -9.028 6.149 4.861 1.00 0.00 C ATOM 317 C GLU A 22 -8.722 4.971 3.940 1.00 0.00 C ATOM 318 O GLU A 22 -8.776 3.814 4.356 1.00 0.00 O ATOM 319 CB GLU A 22 -10.142 7.007 4.256 1.00 0.00 C ATOM 320 CG GLU A 22 -10.880 7.854 5.279 1.00 0.00 C ATOM 321 CD GLU A 22 -12.287 8.208 4.836 1.00 0.00 C ATOM 322 OE1 GLU A 22 -13.200 7.382 5.043 1.00 0.00 O ATOM 323 OE2 GLU A 22 -12.474 9.313 4.283 1.00 0.00 O ATOM 0 H GLU A 22 -7.899 7.912 4.744 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.361 5.760 5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.714 7.661 3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.857 6.357 3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.926 7.316 6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.318 8.771 5.460 1.00 0.00 H new ATOM 330 N VAL A 23 -8.402 5.275 2.686 1.00 0.00 N ATOM 331 CA VAL A 23 -8.087 4.243 1.706 1.00 0.00 C ATOM 332 C VAL A 23 -7.128 3.210 2.285 1.00 0.00 C ATOM 333 O VAL A 23 -7.183 2.031 1.934 1.00 0.00 O ATOM 334 CB VAL A 23 -7.465 4.849 0.434 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.986 3.749 -0.502 1.00 0.00 C ATOM 336 CG2 VAL A 23 -8.464 5.758 -0.266 1.00 0.00 C ATOM 0 H VAL A 23 -8.354 6.228 2.325 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.027 3.756 1.446 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.602 5.449 0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.550 4.196 -1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.235 3.142 0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.830 3.120 -0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.008 6.178 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.347 5.183 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.754 6.566 0.406 1.00 0.00 H new ATOM 346 N TYR A 24 -6.249 3.659 3.174 1.00 0.00 N ATOM 347 CA TYR A 24 -5.275 2.774 3.801 1.00 0.00 C ATOM 348 C TYR A 24 -5.971 1.704 4.638 1.00 0.00 C ATOM 349 O TYR A 24 -5.842 0.510 4.369 1.00 0.00 O ATOM 350 CB TYR A 24 -4.314 3.578 4.679 1.00 0.00 C ATOM 351 CG TYR A 24 -3.557 2.734 5.679 1.00 0.00 C ATOM 352 CD1 TYR A 24 -4.078 2.484 6.942 1.00 0.00 C ATOM 353 CD2 TYR A 24 -2.321 2.185 5.360 1.00 0.00 C ATOM 354 CE1 TYR A 24 -3.389 1.714 7.860 1.00 0.00 C ATOM 355 CE2 TYR A 24 -1.626 1.412 6.270 1.00 0.00 C ATOM 356 CZ TYR A 24 -2.164 1.180 7.519 1.00 0.00 C ATOM 357 OH TYR A 24 -1.475 0.412 8.429 1.00 0.00 O ATOM 0 H TYR A 24 -6.191 4.631 3.477 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.709 2.281 3.011 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.600 4.097 4.040 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.877 4.342 5.214 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.038 2.898 7.211 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.896 2.366 4.384 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.808 1.532 8.839 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.667 0.992 6.005 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.763 -0.080 7.969 1.00 0.00 H new ATOM 367 N GLU A 25 -6.709 2.143 5.653 1.00 0.00 N ATOM 368 CA GLU A 25 -7.425 1.223 6.529 1.00 0.00 C ATOM 369 C GLU A 25 -8.605 0.586 5.801 1.00 0.00 C ATOM 370 O GLU A 25 -9.170 -0.406 6.262 1.00 0.00 O ATOM 371 CB GLU A 25 -7.918 1.955 7.779 1.00 0.00 C ATOM 372 CG GLU A 25 -8.828 3.134 7.476 1.00 0.00 C ATOM 373 CD GLU A 25 -9.805 3.421 8.599 1.00 0.00 C ATOM 374 OE1 GLU A 25 -10.444 2.465 9.088 1.00 0.00 O ATOM 375 OE2 GLU A 25 -9.932 4.600 8.988 1.00 0.00 O ATOM 0 H GLU A 25 -6.827 3.128 5.889 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.735 0.433 6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.452 1.250 8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.057 2.308 8.346 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.220 4.020 7.293 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.383 2.934 6.559 1.00 0.00 H new ATOM 382 N ALA A 26 -8.971 1.163 4.662 1.00 0.00 N ATOM 383 CA ALA A 26 -10.082 0.651 3.869 1.00 0.00 C ATOM 384 C ALA A 26 -9.786 -0.753 3.352 1.00 0.00 C ATOM 385 O ALA A 26 -10.686 -1.585 3.235 1.00 0.00 O ATOM 386 CB ALA A 26 -10.380 1.590 2.710 1.00 0.00 C ATOM 0 H ALA A 26 -8.515 1.985 4.267 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.960 0.596 4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.212 1.195 2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.643 2.574 3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.499 1.674 2.074 1.00 0.00 H new ATOM 392 N VAL A 27 -8.519 -1.010 3.043 1.00 0.00 N ATOM 393 CA VAL A 27 -8.105 -2.314 2.539 1.00 0.00 C ATOM 394 C VAL A 27 -7.740 -3.255 3.681 1.00 0.00 C ATOM 395 O VAL A 27 -7.978 -4.460 3.609 1.00 0.00 O ATOM 396 CB VAL A 27 -6.902 -2.191 1.585 1.00 0.00 C ATOM 397 CG1 VAL A 27 -6.450 -3.565 1.115 1.00 0.00 C ATOM 398 CG2 VAL A 27 -7.250 -1.301 0.401 1.00 0.00 C ATOM 0 H VAL A 27 -7.762 -0.333 3.133 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.953 -2.725 1.991 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.077 -1.730 2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.599 -3.458 0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.158 -4.166 1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.268 -4.057 0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.389 -1.225 -0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.091 -1.732 -0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.520 -0.308 0.759 1.00 0.00 H new ATOM 408 N LYS A 28 -7.159 -2.695 4.738 1.00 0.00 N ATOM 409 CA LYS A 28 -6.761 -3.482 5.899 1.00 0.00 C ATOM 410 C LYS A 28 -7.982 -4.057 6.611 1.00 0.00 C ATOM 411 O LYS A 28 -7.953 -5.186 7.098 1.00 0.00 O ATOM 412 CB LYS A 28 -5.949 -2.622 6.870 1.00 0.00 C ATOM 413 CG LYS A 28 -6.797 -1.919 7.915 1.00 0.00 C ATOM 414 CD LYS A 28 -5.949 -1.051 8.829 1.00 0.00 C ATOM 415 CE LYS A 28 -5.136 -1.893 9.801 1.00 0.00 C ATOM 416 NZ LYS A 28 -4.645 -1.089 10.955 1.00 0.00 N ATOM 0 H LYS A 28 -6.954 -1.699 4.814 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.142 -4.309 5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.215 -3.252 7.373 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.393 -1.875 6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.548 -1.303 7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.332 -2.660 8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.278 -0.436 8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.593 -0.370 9.386 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.748 -2.718 10.167 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.287 -2.334 9.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.096 -1.698 11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.040 -0.317 10.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.456 -0.689 11.470 1.00 0.00 H new ATOM 430 N ASN A 29 -9.053 -3.272 6.666 1.00 0.00 N ATOM 431 CA ASN A 29 -10.284 -3.703 7.319 1.00 0.00 C ATOM 432 C ASN A 29 -11.071 -4.652 6.420 1.00 0.00 C ATOM 433 O ASN A 29 -11.800 -5.520 6.903 1.00 0.00 O ATOM 434 CB ASN A 29 -11.146 -2.492 7.680 1.00 0.00 C ATOM 435 CG ASN A 29 -12.103 -2.111 6.568 1.00 0.00 C ATOM 436 OD1 ASN A 29 -12.922 -2.921 6.134 1.00 0.00 O ATOM 437 ND2 ASN A 29 -12.003 -0.872 6.100 1.00 0.00 N ATOM 0 H ASN A 29 -9.093 -2.334 6.266 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.016 -4.234 8.232 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.713 -2.710 8.585 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.500 -1.644 7.906 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -12.620 -0.558 5.351 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.309 -0.234 6.490 1.00 0.00 H new ATOM 444 N TYR A 30 -10.920 -4.481 5.112 1.00 0.00 N ATOM 445 CA TYR A 30 -11.618 -5.320 4.145 1.00 0.00 C ATOM 446 C TYR A 30 -11.657 -6.772 4.612 1.00 0.00 C ATOM 447 O TYR A 30 -10.658 -7.310 5.092 1.00 0.00 O ATOM 448 CB TYR A 30 -10.940 -5.231 2.777 1.00 0.00 C ATOM 449 CG TYR A 30 -11.776 -5.792 1.649 1.00 0.00 C ATOM 450 CD1 TYR A 30 -11.740 -7.147 1.340 1.00 0.00 C ATOM 451 CD2 TYR A 30 -12.601 -4.969 0.892 1.00 0.00 C ATOM 452 CE1 TYR A 30 -12.501 -7.664 0.310 1.00 0.00 C ATOM 453 CE2 TYR A 30 -13.367 -5.479 -0.138 1.00 0.00 C ATOM 454 CZ TYR A 30 -13.313 -6.827 -0.426 1.00 0.00 C ATOM 455 OH TYR A 30 -14.074 -7.338 -1.453 1.00 0.00 O ATOM 0 H TYR A 30 -10.320 -3.769 4.696 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.642 -4.957 4.060 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.709 -4.188 2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.991 -5.766 2.816 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -11.106 -7.806 1.915 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -12.644 -3.913 1.113 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.460 -8.719 0.082 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -14.005 -4.826 -0.715 1.00 0.00 H new ATOM 0 HH TYR A 30 -14.590 -6.616 -1.869 1.00 0.00 H new ATOM 465 N THR A 31 -12.818 -7.403 4.467 1.00 0.00 N ATOM 466 CA THR A 31 -12.990 -8.792 4.874 1.00 0.00 C ATOM 467 C THR A 31 -13.757 -9.582 3.820 1.00 0.00 C ATOM 468 O THR A 31 -14.127 -9.046 2.775 1.00 0.00 O ATOM 469 CB THR A 31 -13.732 -8.896 6.219 1.00 0.00 C ATOM 470 OG1 THR A 31 -14.632 -7.792 6.369 1.00 0.00 O ATOM 471 CG2 THR A 31 -12.749 -8.917 7.380 1.00 0.00 C ATOM 0 H THR A 31 -13.654 -6.974 4.070 1.00 0.00 H new ATOM 0 HA THR A 31 -11.992 -9.215 4.986 1.00 0.00 H new ATOM 0 HB THR A 31 -14.297 -9.828 6.226 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.101 -7.867 7.226 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.297 -8.991 8.319 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.085 -9.775 7.279 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.160 -8.000 7.375 1.00 0.00 H new ATOM 479 N ASP A 32 -13.993 -10.859 4.101 1.00 0.00 N ATOM 480 CA ASP A 32 -14.719 -11.723 3.177 1.00 0.00 C ATOM 481 C ASP A 32 -16.221 -11.651 3.432 1.00 0.00 C ATOM 482 O ASP A 32 -16.685 -10.866 4.259 1.00 0.00 O ATOM 483 CB ASP A 32 -14.235 -13.168 3.311 1.00 0.00 C ATOM 484 CG ASP A 32 -14.379 -13.948 2.019 1.00 0.00 C ATOM 485 OD1 ASP A 32 -13.627 -13.660 1.065 1.00 0.00 O ATOM 486 OD2 ASP A 32 -15.242 -14.848 1.963 1.00 0.00 O ATOM 0 H ASP A 32 -13.692 -11.319 4.961 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.524 -11.375 2.163 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.190 -13.171 3.619 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.801 -13.666 4.098 1.00 0.00 H new ATOM 491 N LYS A 33 -16.978 -12.475 2.715 1.00 0.00 N ATOM 492 CA LYS A 33 -18.428 -12.506 2.862 1.00 0.00 C ATOM 493 C LYS A 33 -18.822 -12.877 4.289 1.00 0.00 C ATOM 494 O LYS A 33 -19.991 -12.780 4.664 1.00 0.00 O ATOM 495 CB LYS A 33 -19.040 -13.504 1.877 1.00 0.00 C ATOM 496 CG LYS A 33 -19.076 -13.001 0.445 1.00 0.00 C ATOM 497 CD LYS A 33 -20.062 -13.791 -0.400 1.00 0.00 C ATOM 498 CE LYS A 33 -21.498 -13.389 -0.102 1.00 0.00 C ATOM 499 NZ LYS A 33 -22.469 -14.418 -0.565 1.00 0.00 N ATOM 0 H LYS A 33 -16.610 -13.131 2.026 1.00 0.00 H new ATOM 0 HA LYS A 33 -18.812 -11.509 2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -18.470 -14.433 1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -20.055 -13.740 2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -19.351 -11.946 0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.080 -13.074 0.008 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -19.849 -13.628 -1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -19.934 -14.857 -0.209 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -21.617 -13.234 0.970 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -21.717 -12.438 -0.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -23.436 -14.107 -0.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -22.374 -14.548 -1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -22.276 -15.319 -0.083 1.00 0.00 H new ATOM 513 N ARG A 34 -17.841 -13.299 5.078 1.00 0.00 N ATOM 514 CA ARG A 34 -18.086 -13.684 6.463 1.00 0.00 C ATOM 515 C ARG A 34 -17.422 -12.703 7.425 1.00 0.00 C ATOM 516 O ARG A 34 -18.094 -12.043 8.217 1.00 0.00 O ATOM 517 CB ARG A 34 -17.566 -15.099 6.721 1.00 0.00 C ATOM 518 CG ARG A 34 -18.294 -16.170 5.926 1.00 0.00 C ATOM 519 CD ARG A 34 -19.600 -16.569 6.594 1.00 0.00 C ATOM 520 NE ARG A 34 -20.404 -17.446 5.746 1.00 0.00 N ATOM 521 CZ ARG A 34 -21.110 -17.016 4.705 1.00 0.00 C ATOM 522 NH1 ARG A 34 -21.110 -15.729 4.386 1.00 0.00 N ATOM 523 NH2 ARG A 34 -21.816 -17.875 3.981 1.00 0.00 N ATOM 0 H ARG A 34 -16.868 -13.383 4.783 1.00 0.00 H new ATOM 0 HA ARG A 34 -19.162 -13.663 6.635 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.504 -15.137 6.478 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.658 -15.322 7.784 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -18.496 -15.803 4.920 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -17.654 -17.046 5.823 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -19.386 -17.073 7.536 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -20.172 -15.673 6.835 1.00 0.00 H new ATOM 0 HE ARG A 34 -20.425 -18.442 5.965 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -20.567 -15.066 4.940 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -21.653 -15.402 3.587 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -21.817 -18.866 4.223 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -22.358 -17.544 3.182 1.00 0.00 H new ATOM 537 N GLY A 35 -16.097 -12.614 7.351 1.00 0.00 N ATOM 538 CA GLY A 35 -15.364 -11.713 8.221 1.00 0.00 C ATOM 539 C GLY A 35 -13.897 -12.077 8.330 1.00 0.00 C ATOM 540 O GLY A 35 -13.311 -12.007 9.410 1.00 0.00 O ATOM 0 H GLY A 35 -15.519 -13.150 6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.455 -10.694 7.844 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -15.813 -11.726 9.214 1.00 0.00 H new ATOM 544 N ARG A 36 -13.302 -12.469 7.208 1.00 0.00 N ATOM 545 CA ARG A 36 -11.894 -12.849 7.183 1.00 0.00 C ATOM 546 C ARG A 36 -11.057 -11.785 6.479 1.00 0.00 C ATOM 547 O ARG A 36 -11.165 -11.597 5.267 1.00 0.00 O ATOM 548 CB ARG A 36 -11.720 -14.197 6.481 1.00 0.00 C ATOM 549 CG ARG A 36 -12.194 -15.380 7.309 1.00 0.00 C ATOM 550 CD ARG A 36 -11.477 -16.661 6.912 1.00 0.00 C ATOM 551 NE ARG A 36 -10.045 -16.596 7.192 1.00 0.00 N ATOM 552 CZ ARG A 36 -9.179 -17.530 6.814 1.00 0.00 C ATOM 553 NH1 ARG A 36 -9.598 -18.594 6.142 1.00 0.00 N ATOM 554 NH2 ARG A 36 -7.892 -17.400 7.106 1.00 0.00 N ATOM 0 H ARG A 36 -13.772 -12.532 6.305 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.548 -12.936 8.213 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.269 -14.180 5.539 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.667 -14.335 6.234 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.022 -15.178 8.366 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.269 -15.508 7.180 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.914 -17.502 7.450 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.630 -16.848 5.849 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.690 -15.789 7.706 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.587 -18.696 5.914 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.931 -19.310 5.853 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.566 -16.582 7.621 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.228 -18.118 6.815 1.00 0.00 H new ATOM 568 N ARG A 37 -10.223 -11.092 7.247 1.00 0.00 N ATOM 569 CA ARG A 37 -9.368 -10.046 6.697 1.00 0.00 C ATOM 570 C ARG A 37 -8.320 -10.637 5.759 1.00 0.00 C ATOM 571 O ARG A 37 -7.611 -11.579 6.117 1.00 0.00 O ATOM 572 CB ARG A 37 -8.681 -9.274 7.825 1.00 0.00 C ATOM 573 CG ARG A 37 -9.478 -8.078 8.318 1.00 0.00 C ATOM 574 CD ARG A 37 -10.538 -8.492 9.327 1.00 0.00 C ATOM 575 NE ARG A 37 -10.018 -8.509 10.692 1.00 0.00 N ATOM 576 CZ ARG A 37 -10.777 -8.704 11.765 1.00 0.00 C ATOM 577 NH1 ARG A 37 -12.081 -8.899 11.632 1.00 0.00 N ATOM 578 NH2 ARG A 37 -10.230 -8.706 12.974 1.00 0.00 N ATOM 0 H ARG A 37 -10.121 -11.236 8.252 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.996 -9.361 6.127 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.503 -9.951 8.661 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.706 -8.932 7.478 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.804 -7.353 8.774 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.954 -7.583 7.472 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.382 -7.804 9.269 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.915 -9.482 9.071 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.018 -8.363 10.829 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.505 -8.900 10.704 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.661 -9.048 12.458 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.226 -8.558 13.080 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.813 -8.856 13.797 1.00 0.00 H new ATOM 592 N LEU A 38 -8.228 -10.079 4.557 1.00 0.00 N ATOM 593 CA LEU A 38 -7.267 -10.551 3.566 1.00 0.00 C ATOM 594 C LEU A 38 -5.896 -9.925 3.796 1.00 0.00 C ATOM 595 O LEU A 38 -4.895 -10.373 3.236 1.00 0.00 O ATOM 596 CB LEU A 38 -7.759 -10.226 2.155 1.00 0.00 C ATOM 597 CG LEU A 38 -9.276 -10.183 1.965 1.00 0.00 C ATOM 598 CD1 LEU A 38 -9.624 -9.851 0.523 1.00 0.00 C ATOM 599 CD2 LEU A 38 -9.902 -11.508 2.376 1.00 0.00 C ATOM 0 H LEU A 38 -8.807 -9.299 4.245 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.174 -11.632 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.349 -9.259 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.348 -10.967 1.469 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.681 -9.399 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.707 -9.825 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.208 -8.878 0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.207 -10.612 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.982 -11.460 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.491 -12.310 1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.682 -11.704 3.425 1.00 0.00 H new ATOM 611 N SER A 39 -5.857 -8.887 4.626 1.00 0.00 N ATOM 612 CA SER A 39 -4.608 -8.198 4.929 1.00 0.00 C ATOM 613 C SER A 39 -3.937 -8.805 6.158 1.00 0.00 C ATOM 614 O SER A 39 -2.808 -8.453 6.499 1.00 0.00 O ATOM 615 CB SER A 39 -4.866 -6.708 5.160 1.00 0.00 C ATOM 616 OG SER A 39 -5.172 -6.447 6.519 1.00 0.00 O ATOM 0 H SER A 39 -6.675 -8.505 5.100 1.00 0.00 H new ATOM 0 HA SER A 39 -3.940 -8.316 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.988 -6.134 4.865 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.690 -6.376 4.528 1.00 0.00 H new ATOM 0 HG SER A 39 -6.109 -6.172 6.596 1.00 0.00 H new ATOM 622 N ALA A 40 -4.640 -9.720 6.817 1.00 0.00 N ATOM 623 CA ALA A 40 -4.113 -10.378 8.006 1.00 0.00 C ATOM 624 C ALA A 40 -2.781 -11.058 7.711 1.00 0.00 C ATOM 625 O ALA A 40 -1.971 -11.274 8.614 1.00 0.00 O ATOM 626 CB ALA A 40 -5.118 -11.389 8.538 1.00 0.00 C ATOM 0 H ALA A 40 -5.576 -10.022 6.547 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.942 -9.617 8.768 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.712 -11.873 9.426 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.046 -10.879 8.795 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.317 -12.141 7.774 1.00 0.00 H new ATOM 632 N ILE A 41 -2.560 -11.394 6.445 1.00 0.00 N ATOM 633 CA ILE A 41 -1.325 -12.049 6.033 1.00 0.00 C ATOM 634 C ILE A 41 -0.364 -11.055 5.390 1.00 0.00 C ATOM 635 O ILE A 41 0.742 -11.417 4.987 1.00 0.00 O ATOM 636 CB ILE A 41 -1.600 -13.195 5.041 1.00 0.00 C ATOM 637 CG1 ILE A 41 -0.376 -14.107 4.930 1.00 0.00 C ATOM 638 CG2 ILE A 41 -1.976 -12.637 3.677 1.00 0.00 C ATOM 639 CD1 ILE A 41 -0.716 -15.530 4.548 1.00 0.00 C ATOM 0 H ILE A 41 -3.220 -11.223 5.687 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.870 -12.460 6.934 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.437 -13.785 5.414 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.309 -13.694 4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.151 -14.112 5.884 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.167 -13.459 2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.873 -12.025 3.769 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.158 -12.026 3.295 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.199 -16.119 4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.376 -15.961 5.301 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.216 -15.537 3.580 1.00 0.00 H new ATOM 651 N PHE A 42 -0.792 -9.800 5.298 1.00 0.00 N ATOM 652 CA PHE A 42 0.031 -8.753 4.705 1.00 0.00 C ATOM 653 C PHE A 42 0.129 -7.547 5.634 1.00 0.00 C ATOM 654 O PHE A 42 0.773 -6.548 5.308 1.00 0.00 O ATOM 655 CB PHE A 42 -0.546 -8.325 3.354 1.00 0.00 C ATOM 656 CG PHE A 42 -0.747 -9.467 2.399 1.00 0.00 C ATOM 657 CD1 PHE A 42 0.308 -10.301 2.064 1.00 0.00 C ATOM 658 CD2 PHE A 42 -1.990 -9.707 1.837 1.00 0.00 C ATOM 659 CE1 PHE A 42 0.126 -11.352 1.185 1.00 0.00 C ATOM 660 CE2 PHE A 42 -2.179 -10.757 0.958 1.00 0.00 C ATOM 661 CZ PHE A 42 -1.119 -11.581 0.633 1.00 0.00 C ATOM 0 H PHE A 42 -1.704 -9.484 5.627 1.00 0.00 H new ATOM 0 HA PHE A 42 1.033 -9.155 4.553 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.501 -7.826 3.518 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.121 -7.594 2.898 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.283 -10.128 2.495 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.822 -9.066 2.089 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.957 -11.994 0.930 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.153 -10.933 0.526 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.264 -12.403 -0.052 1.00 0.00 H new ATOM 671 N LEU A 43 -0.514 -7.646 6.792 1.00 0.00 N ATOM 672 CA LEU A 43 -0.501 -6.563 7.770 1.00 0.00 C ATOM 673 C LEU A 43 0.911 -6.317 8.291 1.00 0.00 C ATOM 674 O LEU A 43 1.472 -5.237 8.109 1.00 0.00 O ATOM 675 CB LEU A 43 -1.438 -6.890 8.934 1.00 0.00 C ATOM 676 CG LEU A 43 -2.885 -6.422 8.783 1.00 0.00 C ATOM 677 CD1 LEU A 43 -3.765 -7.055 9.850 1.00 0.00 C ATOM 678 CD2 LEU A 43 -2.966 -4.904 8.854 1.00 0.00 C ATOM 0 H LEU A 43 -1.051 -8.465 7.077 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.849 -5.656 7.276 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.440 -7.970 9.080 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.027 -6.447 9.841 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.249 -6.739 7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.792 -6.710 9.727 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.732 -8.140 9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.402 -6.769 10.837 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.004 -4.590 8.745 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.583 -4.564 9.816 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.369 -4.470 8.052 1.00 0.00 H new ATOM 690 N ARG A 44 1.481 -7.328 8.939 1.00 0.00 N ATOM 691 CA ARG A 44 2.828 -7.222 9.486 1.00 0.00 C ATOM 692 C ARG A 44 3.656 -8.456 9.137 1.00 0.00 C ATOM 693 O ARG A 44 3.309 -9.576 9.514 1.00 0.00 O ATOM 694 CB ARG A 44 2.773 -7.046 11.005 1.00 0.00 C ATOM 695 CG ARG A 44 3.954 -6.276 11.572 1.00 0.00 C ATOM 696 CD ARG A 44 4.081 -6.478 13.074 1.00 0.00 C ATOM 697 NE ARG A 44 5.165 -5.682 13.644 1.00 0.00 N ATOM 698 CZ ARG A 44 5.394 -5.579 14.948 1.00 0.00 C ATOM 699 NH1 ARG A 44 4.618 -6.217 15.813 1.00 0.00 N ATOM 700 NH2 ARG A 44 6.401 -4.835 15.389 1.00 0.00 N ATOM 0 H ARG A 44 1.031 -8.229 9.098 1.00 0.00 H new ATOM 0 HA ARG A 44 3.305 -6.348 9.042 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.851 -6.527 11.269 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.731 -8.029 11.475 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.871 -6.601 11.081 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.836 -5.214 11.355 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.141 -6.209 13.557 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.257 -7.533 13.284 1.00 0.00 H new ATOM 0 HE ARG A 44 5.780 -5.178 13.005 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.843 -6.789 15.477 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.796 -6.136 16.814 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.999 -4.342 14.726 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.576 -4.756 16.391 1.00 0.00 H new ATOM 714 N LEU A 45 4.749 -8.243 8.414 1.00 0.00 N ATOM 715 CA LEU A 45 5.626 -9.338 8.012 1.00 0.00 C ATOM 716 C LEU A 45 6.399 -9.883 9.209 1.00 0.00 C ATOM 717 O LEU A 45 6.644 -9.183 10.192 1.00 0.00 O ATOM 718 CB LEU A 45 6.602 -8.866 6.932 1.00 0.00 C ATOM 719 CG LEU A 45 6.111 -8.980 5.489 1.00 0.00 C ATOM 720 CD1 LEU A 45 6.891 -8.039 4.584 1.00 0.00 C ATOM 721 CD2 LEU A 45 6.229 -10.415 4.997 1.00 0.00 C ATOM 0 H LEU A 45 5.050 -7.322 8.094 1.00 0.00 H new ATOM 0 HA LEU A 45 5.006 -10.138 7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.853 -7.824 7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.524 -9.440 7.028 1.00 0.00 H new ATOM 0 HG LEU A 45 5.060 -8.692 5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.528 -8.134 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.755 -7.012 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.950 -8.296 4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.875 -10.477 3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.271 -10.730 5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.625 -11.067 5.628 1.00 0.00 H new ATOM 733 N PRO A 46 6.797 -11.161 9.125 1.00 0.00 N ATOM 734 CA PRO A 46 7.551 -11.828 10.191 1.00 0.00 C ATOM 735 C PRO A 46 8.973 -11.292 10.317 1.00 0.00 C ATOM 736 O PRO A 46 9.462 -10.589 9.433 1.00 0.00 O ATOM 737 CB PRO A 46 7.568 -13.293 9.749 1.00 0.00 C ATOM 738 CG PRO A 46 7.413 -13.245 8.268 1.00 0.00 C ATOM 739 CD PRO A 46 6.540 -12.054 7.982 1.00 0.00 C ATOM 0 HA PRO A 46 7.100 -11.670 11.171 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.500 -13.781 10.034 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.758 -13.856 10.214 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.381 -13.146 7.777 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.958 -14.162 7.893 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.803 -11.581 7.036 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.488 -12.333 7.918 1.00 0.00 H new ATOM 747 N SER A 47 9.631 -11.629 11.421 1.00 0.00 N ATOM 748 CA SER A 47 10.997 -11.179 11.665 1.00 0.00 C ATOM 749 C SER A 47 11.994 -12.016 10.870 1.00 0.00 C ATOM 750 O SER A 47 11.780 -13.207 10.644 1.00 0.00 O ATOM 751 CB SER A 47 11.323 -11.255 13.157 1.00 0.00 C ATOM 752 OG SER A 47 10.738 -10.175 13.863 1.00 0.00 O ATOM 0 H SER A 47 9.241 -12.212 12.161 1.00 0.00 H new ATOM 0 HA SER A 47 11.077 -10.143 11.337 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.960 -12.199 13.564 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.404 -11.242 13.297 1.00 0.00 H new ATOM 0 HG SER A 47 10.960 -10.248 14.815 1.00 0.00 H new ATOM 758 N ARG A 48 13.085 -11.384 10.450 1.00 0.00 N ATOM 759 CA ARG A 48 14.116 -12.069 9.680 1.00 0.00 C ATOM 760 C ARG A 48 14.522 -13.376 10.356 1.00 0.00 C ATOM 761 O ARG A 48 14.768 -14.381 9.689 1.00 0.00 O ATOM 762 CB ARG A 48 15.341 -11.168 9.512 1.00 0.00 C ATOM 763 CG ARG A 48 15.987 -10.767 10.828 1.00 0.00 C ATOM 764 CD ARG A 48 17.353 -10.135 10.608 1.00 0.00 C ATOM 765 NE ARG A 48 17.778 -9.337 11.755 1.00 0.00 N ATOM 766 CZ ARG A 48 17.199 -8.196 12.111 1.00 0.00 C ATOM 767 NH1 ARG A 48 16.177 -7.721 11.413 1.00 0.00 N ATOM 768 NH2 ARG A 48 17.643 -7.527 13.168 1.00 0.00 N ATOM 0 H ARG A 48 13.278 -10.399 10.630 1.00 0.00 H new ATOM 0 HA ARG A 48 13.706 -12.300 8.697 1.00 0.00 H new ATOM 0 HB2 ARG A 48 16.079 -11.683 8.897 1.00 0.00 H new ATOM 0 HB3 ARG A 48 15.048 -10.268 8.972 1.00 0.00 H new ATOM 0 HG2 ARG A 48 15.340 -10.064 11.353 1.00 0.00 H new ATOM 0 HG3 ARG A 48 16.089 -11.644 11.467 1.00 0.00 H new ATOM 0 HD2 ARG A 48 18.088 -10.917 10.418 1.00 0.00 H new ATOM 0 HD3 ARG A 48 17.322 -9.505 9.719 1.00 0.00 H new ATOM 0 HE ARG A 48 18.562 -9.674 12.313 1.00 0.00 H new ATOM 0 HH11 ARG A 48 15.833 -8.232 10.600 1.00 0.00 H new ATOM 0 HH12 ARG A 48 15.734 -6.844 11.689 1.00 0.00 H new ATOM 0 HH21 ARG A 48 18.429 -7.889 13.707 1.00 0.00 H new ATOM 0 HH22 ARG A 48 17.198 -6.651 13.441 1.00 0.00 H new ATOM 782 N SER A 49 14.589 -13.353 11.683 1.00 0.00 N ATOM 783 CA SER A 49 14.968 -14.534 12.449 1.00 0.00 C ATOM 784 C SER A 49 13.970 -15.668 12.231 1.00 0.00 C ATOM 785 O SER A 49 14.356 -16.823 12.060 1.00 0.00 O ATOM 786 CB SER A 49 15.055 -14.196 13.939 1.00 0.00 C ATOM 787 OG SER A 49 15.997 -13.164 14.173 1.00 0.00 O ATOM 0 H SER A 49 14.386 -12.530 12.250 1.00 0.00 H new ATOM 0 HA SER A 49 15.947 -14.863 12.100 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.075 -13.888 14.303 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.338 -15.086 14.501 1.00 0.00 H new ATOM 0 HG SER A 49 16.033 -12.965 15.132 1.00 0.00 H new ATOM 793 N GLU A 50 12.686 -15.326 12.239 1.00 0.00 N ATOM 794 CA GLU A 50 11.632 -16.314 12.043 1.00 0.00 C ATOM 795 C GLU A 50 11.587 -16.782 10.591 1.00 0.00 C ATOM 796 O GLU A 50 11.737 -17.970 10.304 1.00 0.00 O ATOM 797 CB GLU A 50 10.275 -15.732 12.445 1.00 0.00 C ATOM 798 CG GLU A 50 9.189 -16.782 12.617 1.00 0.00 C ATOM 799 CD GLU A 50 8.909 -17.546 11.338 1.00 0.00 C ATOM 800 OE1 GLU A 50 8.223 -16.992 10.454 1.00 0.00 O ATOM 801 OE2 GLU A 50 9.375 -18.699 11.221 1.00 0.00 O ATOM 0 H GLU A 50 12.351 -14.373 12.379 1.00 0.00 H new ATOM 0 HA GLU A 50 11.853 -17.173 12.677 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.388 -15.181 13.379 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.958 -15.014 11.688 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.487 -17.483 13.397 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.272 -16.299 12.956 1.00 0.00 H new ATOM 808 N LEU A 51 11.380 -15.839 9.679 1.00 0.00 N ATOM 809 CA LEU A 51 11.315 -16.152 8.255 1.00 0.00 C ATOM 810 C LEU A 51 12.330 -15.329 7.469 1.00 0.00 C ATOM 811 O LEU A 51 11.989 -14.358 6.793 1.00 0.00 O ATOM 812 CB LEU A 51 9.906 -15.892 7.719 1.00 0.00 C ATOM 813 CG LEU A 51 9.461 -16.766 6.547 1.00 0.00 C ATOM 814 CD1 LEU A 51 9.586 -18.240 6.902 1.00 0.00 C ATOM 815 CD2 LEU A 51 8.032 -16.432 6.144 1.00 0.00 C ATOM 0 H LEU A 51 11.254 -14.851 9.900 1.00 0.00 H new ATOM 0 HA LEU A 51 11.556 -17.208 8.129 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.198 -16.027 8.536 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.843 -14.848 7.412 1.00 0.00 H new ATOM 0 HG LEU A 51 10.114 -16.561 5.698 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.265 -18.847 6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.625 -18.470 7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.958 -18.461 7.765 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.732 -17.064 5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.365 -16.607 6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.973 -15.385 5.846 1.00 0.00 H new ATOM 827 N PRO A 52 13.609 -15.725 7.557 1.00 0.00 N ATOM 828 CA PRO A 52 14.700 -15.040 6.859 1.00 0.00 C ATOM 829 C PRO A 52 14.639 -15.242 5.349 1.00 0.00 C ATOM 830 O PRO A 52 14.908 -14.320 4.578 1.00 0.00 O ATOM 831 CB PRO A 52 15.957 -15.695 7.436 1.00 0.00 C ATOM 832 CG PRO A 52 15.509 -17.042 7.887 1.00 0.00 C ATOM 833 CD PRO A 52 14.087 -16.874 8.345 1.00 0.00 C ATOM 0 HA PRO A 52 14.661 -13.960 7.003 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.744 -15.770 6.686 1.00 0.00 H new ATOM 0 HB3 PRO A 52 16.361 -15.114 8.265 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.574 -17.767 7.076 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.138 -17.412 8.696 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.494 -17.768 8.152 1.00 0.00 H new ATOM 0 HD3 PRO A 52 14.030 -16.679 9.416 1.00 0.00 H new ATOM 841 N ASP A 53 14.283 -16.452 4.932 1.00 0.00 N ATOM 842 CA ASP A 53 14.185 -16.774 3.513 1.00 0.00 C ATOM 843 C ASP A 53 13.477 -15.660 2.751 1.00 0.00 C ATOM 844 O ASP A 53 13.947 -15.214 1.704 1.00 0.00 O ATOM 845 CB ASP A 53 13.440 -18.096 3.319 1.00 0.00 C ATOM 846 CG ASP A 53 14.291 -19.298 3.679 1.00 0.00 C ATOM 847 OD1 ASP A 53 15.380 -19.453 3.088 1.00 0.00 O ATOM 848 OD2 ASP A 53 13.867 -20.084 4.552 1.00 0.00 O ATOM 0 H ASP A 53 14.057 -17.226 5.557 1.00 0.00 H new ATOM 0 HA ASP A 53 15.196 -16.874 3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.539 -18.095 3.932 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.119 -18.180 2.281 1.00 0.00 H new ATOM 853 N TYR A 54 12.343 -15.215 3.281 1.00 0.00 N ATOM 854 CA TYR A 54 11.567 -14.155 2.649 1.00 0.00 C ATOM 855 C TYR A 54 12.459 -12.972 2.282 1.00 0.00 C ATOM 856 O TYR A 54 12.423 -12.479 1.154 1.00 0.00 O ATOM 857 CB TYR A 54 10.444 -13.692 3.578 1.00 0.00 C ATOM 858 CG TYR A 54 9.399 -12.843 2.889 1.00 0.00 C ATOM 859 CD1 TYR A 54 9.580 -11.474 2.735 1.00 0.00 C ATOM 860 CD2 TYR A 54 8.231 -13.409 2.394 1.00 0.00 C ATOM 861 CE1 TYR A 54 8.629 -10.694 2.107 1.00 0.00 C ATOM 862 CE2 TYR A 54 7.275 -12.637 1.763 1.00 0.00 C ATOM 863 CZ TYR A 54 7.478 -11.280 1.623 1.00 0.00 C ATOM 864 OH TYR A 54 6.527 -10.507 0.996 1.00 0.00 O ATOM 0 H TYR A 54 11.941 -15.572 4.147 1.00 0.00 H new ATOM 0 HA TYR A 54 11.130 -14.556 1.734 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.960 -14.566 4.013 1.00 0.00 H new ATOM 0 HB3 TYR A 54 10.876 -13.124 4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.480 -11.012 3.113 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.068 -14.471 2.504 1.00 0.00 H new ATOM 0 HE1 TYR A 54 8.786 -9.631 1.995 1.00 0.00 H new ATOM 0 HE2 TYR A 54 6.374 -13.093 1.381 1.00 0.00 H new ATOM 0 HH TYR A 54 5.779 -11.074 0.714 1.00 0.00 H new ATOM 874 N TYR A 55 13.258 -12.522 3.243 1.00 0.00 N ATOM 875 CA TYR A 55 14.158 -11.396 3.023 1.00 0.00 C ATOM 876 C TYR A 55 15.158 -11.707 1.913 1.00 0.00 C ATOM 877 O TYR A 55 15.622 -10.808 1.211 1.00 0.00 O ATOM 878 CB TYR A 55 14.903 -11.053 4.314 1.00 0.00 C ATOM 879 CG TYR A 55 14.171 -10.062 5.190 1.00 0.00 C ATOM 880 CD1 TYR A 55 14.091 -8.720 4.838 1.00 0.00 C ATOM 881 CD2 TYR A 55 13.560 -10.466 6.371 1.00 0.00 C ATOM 882 CE1 TYR A 55 13.423 -7.810 5.635 1.00 0.00 C ATOM 883 CE2 TYR A 55 12.890 -9.564 7.174 1.00 0.00 C ATOM 884 CZ TYR A 55 12.824 -8.237 6.802 1.00 0.00 C ATOM 885 OH TYR A 55 12.158 -7.335 7.600 1.00 0.00 O ATOM 0 H TYR A 55 13.301 -12.919 4.181 1.00 0.00 H new ATOM 0 HA TYR A 55 13.559 -10.538 2.718 1.00 0.00 H new ATOM 0 HB2 TYR A 55 15.073 -11.969 4.880 1.00 0.00 H new ATOM 0 HB3 TYR A 55 15.883 -10.648 4.062 1.00 0.00 H new ATOM 0 HD1 TYR A 55 14.559 -8.382 3.925 1.00 0.00 H new ATOM 0 HD2 TYR A 55 13.610 -11.504 6.666 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.370 -6.771 5.346 1.00 0.00 H new ATOM 0 HE2 TYR A 55 12.420 -9.896 8.088 1.00 0.00 H new ATOM 0 HH TYR A 55 11.793 -7.798 8.383 1.00 0.00 H new ATOM 895 N LEU A 56 15.484 -12.985 1.761 1.00 0.00 N ATOM 896 CA LEU A 56 16.429 -13.417 0.736 1.00 0.00 C ATOM 897 C LEU A 56 15.758 -13.474 -0.633 1.00 0.00 C ATOM 898 O LEU A 56 16.113 -12.725 -1.543 1.00 0.00 O ATOM 899 CB LEU A 56 17.006 -14.788 1.091 1.00 0.00 C ATOM 900 CG LEU A 56 17.756 -14.876 2.421 1.00 0.00 C ATOM 901 CD1 LEU A 56 18.068 -16.324 2.763 1.00 0.00 C ATOM 902 CD2 LEU A 56 19.034 -14.051 2.369 1.00 0.00 C ATOM 0 H LEU A 56 15.109 -13.741 2.334 1.00 0.00 H new ATOM 0 HA LEU A 56 17.239 -12.689 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.190 -15.510 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.684 -15.092 0.294 1.00 0.00 H new ATOM 0 HG LEU A 56 17.116 -14.469 3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 56 18.602 -16.367 3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.138 -16.887 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.688 -16.758 1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 56 19.554 -14.126 3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.678 -14.428 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 56 18.786 -13.008 2.171 1.00 0.00 H new ATOM 914 N THR A 57 14.783 -14.368 -0.772 1.00 0.00 N ATOM 915 CA THR A 57 14.062 -14.523 -2.028 1.00 0.00 C ATOM 916 C THR A 57 13.700 -13.168 -2.625 1.00 0.00 C ATOM 917 O THR A 57 14.116 -12.837 -3.736 1.00 0.00 O ATOM 918 CB THR A 57 12.775 -15.348 -1.839 1.00 0.00 C ATOM 919 OG1 THR A 57 11.936 -15.219 -2.992 1.00 0.00 O ATOM 920 CG2 THR A 57 12.018 -14.893 -0.601 1.00 0.00 C ATOM 0 H THR A 57 14.475 -14.995 -0.029 1.00 0.00 H new ATOM 0 HA THR A 57 14.727 -15.052 -2.711 1.00 0.00 H new ATOM 0 HB THR A 57 13.056 -16.393 -1.710 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.121 -15.748 -2.864 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.113 -15.490 -0.488 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.649 -15.021 0.279 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.749 -13.842 -0.705 1.00 0.00 H new ATOM 928 N ILE A 58 12.923 -12.388 -1.881 1.00 0.00 N ATOM 929 CA ILE A 58 12.507 -11.067 -2.338 1.00 0.00 C ATOM 930 C ILE A 58 13.615 -10.040 -2.131 1.00 0.00 C ATOM 931 O ILE A 58 14.148 -9.897 -1.030 1.00 0.00 O ATOM 932 CB ILE A 58 11.239 -10.592 -1.604 1.00 0.00 C ATOM 933 CG1 ILE A 58 10.084 -11.564 -1.854 1.00 0.00 C ATOM 934 CG2 ILE A 58 10.862 -9.188 -2.053 1.00 0.00 C ATOM 935 CD1 ILE A 58 9.867 -11.881 -3.317 1.00 0.00 C ATOM 0 H ILE A 58 12.569 -12.647 -0.960 1.00 0.00 H new ATOM 0 HA ILE A 58 12.290 -11.155 -3.403 1.00 0.00 H new ATOM 0 HB ILE A 58 11.444 -10.568 -0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.277 -12.491 -1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.168 -11.140 -1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.964 -8.866 -1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.680 -8.503 -1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.672 -9.188 -3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.033 -12.575 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.643 -10.962 -3.859 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.769 -12.334 -3.729 1.00 0.00 H new ATOM 947 N LYS A 59 13.956 -9.324 -3.197 1.00 0.00 N ATOM 948 CA LYS A 59 14.999 -8.307 -3.134 1.00 0.00 C ATOM 949 C LYS A 59 14.469 -7.023 -2.503 1.00 0.00 C ATOM 950 O LYS A 59 15.180 -6.342 -1.764 1.00 0.00 O ATOM 951 CB LYS A 59 15.539 -8.013 -4.535 1.00 0.00 C ATOM 952 CG LYS A 59 16.144 -9.227 -5.220 1.00 0.00 C ATOM 953 CD LYS A 59 17.638 -9.328 -4.958 1.00 0.00 C ATOM 954 CE LYS A 59 17.934 -10.215 -3.759 1.00 0.00 C ATOM 955 NZ LYS A 59 19.324 -10.025 -3.258 1.00 0.00 N ATOM 0 H LYS A 59 13.525 -9.429 -4.115 1.00 0.00 H new ATOM 0 HA LYS A 59 15.808 -8.690 -2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.730 -7.623 -5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.294 -7.230 -4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.649 -10.131 -4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.965 -9.167 -6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 59 18.137 -9.729 -5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.046 -8.332 -4.785 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.227 -9.993 -2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 59 17.787 -11.259 -4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.486 -10.647 -2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 20.000 -10.261 -4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 19.457 -9.034 -2.971 1.00 0.00 H new ATOM 969 N LYS A 60 13.215 -6.698 -2.799 1.00 0.00 N ATOM 970 CA LYS A 60 12.587 -5.498 -2.259 1.00 0.00 C ATOM 971 C LYS A 60 11.293 -5.842 -1.529 1.00 0.00 C ATOM 972 O LYS A 60 10.196 -5.741 -2.079 1.00 0.00 O ATOM 973 CB LYS A 60 12.302 -4.497 -3.381 1.00 0.00 C ATOM 974 CG LYS A 60 12.336 -3.048 -2.928 1.00 0.00 C ATOM 975 CD LYS A 60 11.024 -2.634 -2.284 1.00 0.00 C ATOM 976 CE LYS A 60 11.225 -1.504 -1.286 1.00 0.00 C ATOM 977 NZ LYS A 60 11.299 -0.177 -1.959 1.00 0.00 N ATOM 0 H LYS A 60 12.613 -7.250 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 60 13.277 -5.047 -1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.034 -4.637 -4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.323 -4.712 -3.808 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.151 -2.907 -2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.542 -2.403 -3.783 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.322 -2.318 -3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.579 -3.491 -1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.404 -1.502 -0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.141 -1.677 -0.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.056 0.390 -1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.502 -0.311 -2.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.391 0.318 -1.851 1.00 0.00 H new ATOM 991 N PRO A 61 11.420 -6.256 -0.260 1.00 0.00 N ATOM 992 CA PRO A 61 10.270 -6.621 0.573 1.00 0.00 C ATOM 993 C PRO A 61 9.420 -5.412 0.950 1.00 0.00 C ATOM 994 O PRO A 61 9.881 -4.513 1.652 1.00 0.00 O ATOM 995 CB PRO A 61 10.915 -7.231 1.820 1.00 0.00 C ATOM 996 CG PRO A 61 12.270 -6.615 1.886 1.00 0.00 C ATOM 997 CD PRO A 61 12.696 -6.399 0.461 1.00 0.00 C ATOM 0 HA PRO A 61 9.589 -7.296 0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.335 -7.008 2.715 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.977 -8.316 1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 61 12.244 -5.672 2.433 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.970 -7.267 2.408 1.00 0.00 H new ATOM 0 HD2 PRO A 61 13.317 -5.509 0.358 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.278 -7.240 0.084 1.00 0.00 H new ATOM 1005 N MET A 62 8.178 -5.399 0.479 1.00 0.00 N ATOM 1006 CA MET A 62 7.263 -4.300 0.768 1.00 0.00 C ATOM 1007 C MET A 62 6.128 -4.763 1.677 1.00 0.00 C ATOM 1008 O MET A 62 5.418 -5.718 1.362 1.00 0.00 O ATOM 1009 CB MET A 62 6.691 -3.728 -0.531 1.00 0.00 C ATOM 1010 CG MET A 62 5.429 -2.906 -0.329 1.00 0.00 C ATOM 1011 SD MET A 62 5.725 -1.399 0.616 1.00 0.00 S ATOM 1012 CE MET A 62 6.671 -0.440 -0.564 1.00 0.00 C ATOM 0 H MET A 62 7.782 -6.136 -0.104 1.00 0.00 H new ATOM 0 HA MET A 62 7.823 -3.520 1.284 1.00 0.00 H new ATOM 0 HB2 MET A 62 7.448 -3.105 -1.008 1.00 0.00 H new ATOM 0 HB3 MET A 62 6.475 -4.548 -1.215 1.00 0.00 H new ATOM 0 HG2 MET A 62 5.011 -2.644 -1.301 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.684 -3.512 0.186 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.839 0.561 -0.168 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.630 -0.926 -0.742 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.120 -0.371 -1.502 1.00 0.00 H new ATOM 1022 N ASP A 63 5.964 -4.080 2.804 1.00 0.00 N ATOM 1023 CA ASP A 63 4.914 -4.421 3.758 1.00 0.00 C ATOM 1024 C ASP A 63 3.923 -3.271 3.909 1.00 0.00 C ATOM 1025 O ASP A 63 4.180 -2.154 3.459 1.00 0.00 O ATOM 1026 CB ASP A 63 5.524 -4.767 5.117 1.00 0.00 C ATOM 1027 CG ASP A 63 4.582 -5.579 5.984 1.00 0.00 C ATOM 1028 OD1 ASP A 63 3.642 -6.187 5.431 1.00 0.00 O ATOM 1029 OD2 ASP A 63 4.786 -5.607 7.216 1.00 0.00 O ATOM 0 H ASP A 63 6.544 -3.287 3.080 1.00 0.00 H new ATOM 0 HA ASP A 63 4.378 -5.290 3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.447 -5.326 4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.790 -3.847 5.637 1.00 0.00 H new ATOM 1034 N MET A 64 2.791 -3.552 4.545 1.00 0.00 N ATOM 1035 CA MET A 64 1.761 -2.541 4.755 1.00 0.00 C ATOM 1036 C MET A 64 2.222 -1.499 5.769 1.00 0.00 C ATOM 1037 O MET A 64 2.134 -0.297 5.519 1.00 0.00 O ATOM 1038 CB MET A 64 0.463 -3.196 5.233 1.00 0.00 C ATOM 1039 CG MET A 64 -0.447 -3.639 4.099 1.00 0.00 C ATOM 1040 SD MET A 64 -2.068 -4.175 4.679 1.00 0.00 S ATOM 1041 CE MET A 64 -2.917 -2.604 4.813 1.00 0.00 C ATOM 0 H MET A 64 2.563 -4.471 4.924 1.00 0.00 H new ATOM 0 HA MET A 64 1.578 -2.041 3.804 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.708 -4.060 5.850 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.077 -2.493 5.868 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.571 -2.816 3.395 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.028 -4.455 3.555 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.159 -2.409 5.858 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.274 -1.809 4.435 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.836 -2.636 4.228 1.00 0.00 H new ATOM 1051 N GLU A 65 2.712 -1.968 6.912 1.00 0.00 N ATOM 1052 CA GLU A 65 3.185 -1.075 7.963 1.00 0.00 C ATOM 1053 C GLU A 65 4.087 0.013 7.388 1.00 0.00 C ATOM 1054 O GLU A 65 4.089 1.150 7.862 1.00 0.00 O ATOM 1055 CB GLU A 65 3.940 -1.865 9.033 1.00 0.00 C ATOM 1056 CG GLU A 65 4.921 -2.877 8.464 1.00 0.00 C ATOM 1057 CD GLU A 65 6.322 -2.313 8.320 1.00 0.00 C ATOM 1058 OE1 GLU A 65 7.096 -2.389 9.296 1.00 0.00 O ATOM 1059 OE2 GLU A 65 6.643 -1.797 7.229 1.00 0.00 O ATOM 0 H GLU A 65 2.792 -2.960 7.134 1.00 0.00 H new ATOM 0 HA GLU A 65 2.316 -0.600 8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.481 -1.168 9.673 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.220 -2.385 9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.951 -3.753 9.112 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.567 -3.213 7.490 1.00 0.00 H new ATOM 1066 N LYS A 66 4.853 -0.343 6.362 1.00 0.00 N ATOM 1067 CA LYS A 66 5.760 0.601 5.720 1.00 0.00 C ATOM 1068 C LYS A 66 5.000 1.816 5.199 1.00 0.00 C ATOM 1069 O LYS A 66 5.379 2.957 5.465 1.00 0.00 O ATOM 1070 CB LYS A 66 6.506 -0.079 4.570 1.00 0.00 C ATOM 1071 CG LYS A 66 7.179 0.897 3.620 1.00 0.00 C ATOM 1072 CD LYS A 66 8.042 0.175 2.598 1.00 0.00 C ATOM 1073 CE LYS A 66 9.430 -0.115 3.146 1.00 0.00 C ATOM 1074 NZ LYS A 66 10.027 -1.332 2.529 1.00 0.00 N ATOM 0 H LYS A 66 4.864 -1.279 5.957 1.00 0.00 H new ATOM 0 HA LYS A 66 6.482 0.937 6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.260 -0.749 4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.805 -0.696 4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.421 1.487 3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.794 1.595 4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.561 -0.760 2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.125 0.782 1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.079 0.741 2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.374 -0.246 4.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.843 -1.643 3.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.317 -2.091 2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.339 -1.113 1.561 1.00 0.00 H new ATOM 1088 N ILE A 67 3.927 1.564 4.457 1.00 0.00 N ATOM 1089 CA ILE A 67 3.113 2.638 3.901 1.00 0.00 C ATOM 1090 C ILE A 67 2.560 3.536 5.003 1.00 0.00 C ATOM 1091 O ILE A 67 2.834 4.735 5.037 1.00 0.00 O ATOM 1092 CB ILE A 67 1.941 2.084 3.070 1.00 0.00 C ATOM 1093 CG1 ILE A 67 2.467 1.295 1.869 1.00 0.00 C ATOM 1094 CG2 ILE A 67 1.035 3.217 2.611 1.00 0.00 C ATOM 1095 CD1 ILE A 67 2.702 -0.170 2.165 1.00 0.00 C ATOM 0 H ILE A 67 3.601 0.625 4.227 1.00 0.00 H new ATOM 0 HA ILE A 67 3.764 3.223 3.251 1.00 0.00 H new ATOM 0 HB ILE A 67 1.357 1.409 3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.756 1.382 1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.401 1.743 1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.211 2.810 2.025 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.637 3.740 3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.606 3.914 1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.074 -0.667 1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.436 -0.266 2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.765 -0.634 2.474 1.00 0.00 H new ATOM 1107 N ARG A 68 1.782 2.945 5.905 1.00 0.00 N ATOM 1108 CA ARG A 68 1.192 3.691 7.010 1.00 0.00 C ATOM 1109 C ARG A 68 2.212 4.640 7.632 1.00 0.00 C ATOM 1110 O ARG A 68 1.977 5.845 7.727 1.00 0.00 O ATOM 1111 CB ARG A 68 0.657 2.731 8.074 1.00 0.00 C ATOM 1112 CG ARG A 68 -0.532 3.278 8.847 1.00 0.00 C ATOM 1113 CD ARG A 68 -0.090 4.229 9.948 1.00 0.00 C ATOM 1114 NE ARG A 68 -1.222 4.917 10.563 1.00 0.00 N ATOM 1115 CZ ARG A 68 -1.195 5.423 11.791 1.00 0.00 C ATOM 1116 NH1 ARG A 68 -0.099 5.319 12.531 1.00 0.00 N ATOM 1117 NH2 ARG A 68 -2.265 6.035 12.282 1.00 0.00 N ATOM 0 H ARG A 68 1.546 1.953 5.892 1.00 0.00 H new ATOM 0 HA ARG A 68 0.365 4.282 6.615 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.368 1.796 7.595 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.458 2.496 8.775 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.204 3.798 8.164 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.096 2.453 9.282 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.454 3.672 10.711 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.601 4.964 9.536 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.080 5.014 10.020 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.726 4.850 12.157 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.081 5.708 13.474 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.110 6.117 11.716 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.243 6.423 13.225 1.00 0.00 H new ATOM 1131 N SER A 69 3.344 4.088 8.056 1.00 0.00 N ATOM 1132 CA SER A 69 4.399 4.884 8.673 1.00 0.00 C ATOM 1133 C SER A 69 4.685 6.137 7.852 1.00 0.00 C ATOM 1134 O SER A 69 4.500 7.259 8.324 1.00 0.00 O ATOM 1135 CB SER A 69 5.675 4.053 8.820 1.00 0.00 C ATOM 1136 OG SER A 69 6.461 4.513 9.905 1.00 0.00 O ATOM 0 H SER A 69 3.554 3.093 7.984 1.00 0.00 H new ATOM 0 HA SER A 69 4.058 5.190 9.662 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.415 3.006 8.974 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.255 4.106 7.899 1.00 0.00 H new ATOM 0 HG SER A 69 7.270 3.965 9.979 1.00 0.00 H new ATOM 1142 N HIS A 70 5.138 5.937 6.618 1.00 0.00 N ATOM 1143 CA HIS A 70 5.451 7.051 5.729 1.00 0.00 C ATOM 1144 C HIS A 70 4.244 7.970 5.565 1.00 0.00 C ATOM 1145 O HIS A 70 4.391 9.153 5.259 1.00 0.00 O ATOM 1146 CB HIS A 70 5.898 6.529 4.363 1.00 0.00 C ATOM 1147 CG HIS A 70 7.287 5.968 4.362 1.00 0.00 C ATOM 1148 ND1 HIS A 70 7.890 5.456 3.233 1.00 0.00 N ATOM 1149 CD2 HIS A 70 8.191 5.842 5.360 1.00 0.00 C ATOM 1150 CE1 HIS A 70 9.106 5.037 3.537 1.00 0.00 C ATOM 1151 NE2 HIS A 70 9.313 5.260 4.822 1.00 0.00 N ATOM 0 H HIS A 70 5.296 5.015 6.211 1.00 0.00 H new ATOM 0 HA HIS A 70 6.264 7.624 6.175 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.203 5.757 4.033 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.842 7.340 3.637 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.056 6.143 6.388 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.810 4.589 2.852 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.167 5.036 5.332 1.00 0.00 H new ATOM 1160 N MET A 71 3.053 7.418 5.771 1.00 0.00 N ATOM 1161 CA MET A 71 1.822 8.189 5.647 1.00 0.00 C ATOM 1162 C MET A 71 1.761 9.289 6.702 1.00 0.00 C ATOM 1163 O MET A 71 1.489 10.448 6.388 1.00 0.00 O ATOM 1164 CB MET A 71 0.604 7.272 5.779 1.00 0.00 C ATOM 1165 CG MET A 71 -0.609 7.757 5.002 1.00 0.00 C ATOM 1166 SD MET A 71 -2.166 7.267 5.768 1.00 0.00 S ATOM 1167 CE MET A 71 -1.789 5.585 6.255 1.00 0.00 C ATOM 0 H MET A 71 2.914 6.440 6.025 1.00 0.00 H new ATOM 0 HA MET A 71 1.812 8.654 4.661 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.872 6.274 5.433 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.339 7.183 6.833 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.574 8.844 4.922 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.568 7.361 3.987 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.696 5.098 6.614 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.398 5.037 5.398 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.043 5.595 7.050 1.00 0.00 H new ATOM 1177 N MET A 72 2.014 8.918 7.953 1.00 0.00 N ATOM 1178 CA MET A 72 1.988 9.875 9.053 1.00 0.00 C ATOM 1179 C MET A 72 3.235 10.754 9.038 1.00 0.00 C ATOM 1180 O MET A 72 3.393 11.637 9.881 1.00 0.00 O ATOM 1181 CB MET A 72 1.883 9.142 10.392 1.00 0.00 C ATOM 1182 CG MET A 72 0.813 8.063 10.411 1.00 0.00 C ATOM 1183 SD MET A 72 -0.818 8.708 10.831 1.00 0.00 S ATOM 1184 CE MET A 72 -1.650 8.582 9.250 1.00 0.00 C ATOM 0 H MET A 72 2.239 7.962 8.230 1.00 0.00 H new ATOM 0 HA MET A 72 1.113 10.513 8.926 1.00 0.00 H new ATOM 0 HB2 MET A 72 2.847 8.691 10.626 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.671 9.867 11.178 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.769 7.584 9.433 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.091 7.294 11.131 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.472 9.297 9.213 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.944 8.800 8.449 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.041 7.572 9.124 1.00 0.00 H new ATOM 1194 N ALA A 73 4.117 10.507 8.076 1.00 0.00 N ATOM 1195 CA ALA A 73 5.348 11.277 7.951 1.00 0.00 C ATOM 1196 C ALA A 73 5.203 12.378 6.906 1.00 0.00 C ATOM 1197 O ALA A 73 5.983 13.329 6.881 1.00 0.00 O ATOM 1198 CB ALA A 73 6.510 10.361 7.597 1.00 0.00 C ATOM 0 H ALA A 73 4.002 9.779 7.371 1.00 0.00 H new ATOM 0 HA ALA A 73 5.551 11.749 8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.423 10.950 7.507 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.636 9.614 8.380 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.305 9.862 6.650 1.00 0.00 H new ATOM 1204 N ASN A 74 4.200 12.242 6.045 1.00 0.00 N ATOM 1205 CA ASN A 74 3.955 13.225 4.996 1.00 0.00 C ATOM 1206 C ASN A 74 5.004 13.120 3.894 1.00 0.00 C ATOM 1207 O ASN A 74 5.328 14.106 3.232 1.00 0.00 O ATOM 1208 CB ASN A 74 3.956 14.638 5.583 1.00 0.00 C ATOM 1209 CG ASN A 74 3.169 15.618 4.734 1.00 0.00 C ATOM 1210 OD1 ASN A 74 2.266 15.229 3.993 1.00 0.00 O ATOM 1211 ND2 ASN A 74 3.511 16.897 4.837 1.00 0.00 N ATOM 0 H ASN A 74 3.544 11.461 6.053 1.00 0.00 H new ATOM 0 HA ASN A 74 2.977 13.019 4.562 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.534 14.611 6.588 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.984 14.988 5.678 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.019 17.602 4.289 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.266 17.174 5.464 1.00 0.00 H new ATOM 1218 N LYS A 75 5.533 11.916 3.702 1.00 0.00 N ATOM 1219 CA LYS A 75 6.545 11.679 2.679 1.00 0.00 C ATOM 1220 C LYS A 75 5.903 11.527 1.304 1.00 0.00 C ATOM 1221 O LYS A 75 6.518 11.838 0.283 1.00 0.00 O ATOM 1222 CB LYS A 75 7.356 10.426 3.016 1.00 0.00 C ATOM 1223 CG LYS A 75 8.312 10.616 4.181 1.00 0.00 C ATOM 1224 CD LYS A 75 8.677 9.289 4.825 1.00 0.00 C ATOM 1225 CE LYS A 75 10.024 9.361 5.527 1.00 0.00 C ATOM 1226 NZ LYS A 75 11.152 9.430 4.556 1.00 0.00 N ATOM 0 H LYS A 75 5.278 11.089 4.242 1.00 0.00 H new ATOM 0 HA LYS A 75 7.212 12.541 2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.670 9.611 3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.924 10.123 2.136 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.217 11.114 3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.855 11.269 4.925 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.906 9.008 5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.704 8.509 4.064 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.049 10.236 6.176 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.148 8.487 6.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.039 9.174 5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.977 8.768 3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.228 10.397 4.181 1.00 0.00 H new ATOM 1240 N TYR A 76 4.664 11.048 1.284 1.00 0.00 N ATOM 1241 CA TYR A 76 3.939 10.855 0.033 1.00 0.00 C ATOM 1242 C TYR A 76 3.715 12.185 -0.678 1.00 0.00 C ATOM 1243 O TYR A 76 3.721 13.245 -0.052 1.00 0.00 O ATOM 1244 CB TYR A 76 2.596 10.172 0.298 1.00 0.00 C ATOM 1245 CG TYR A 76 1.725 10.914 1.287 1.00 0.00 C ATOM 1246 CD1 TYR A 76 1.243 12.185 1.002 1.00 0.00 C ATOM 1247 CD2 TYR A 76 1.383 10.342 2.506 1.00 0.00 C ATOM 1248 CE1 TYR A 76 0.448 12.867 1.902 1.00 0.00 C ATOM 1249 CE2 TYR A 76 0.587 11.015 3.413 1.00 0.00 C ATOM 1250 CZ TYR A 76 0.122 12.278 3.106 1.00 0.00 C ATOM 1251 OH TYR A 76 -0.671 12.952 4.006 1.00 0.00 O ATOM 0 H TYR A 76 4.141 10.786 2.119 1.00 0.00 H new ATOM 0 HA TYR A 76 4.542 10.217 -0.612 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.057 10.071 -0.644 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.778 9.164 0.671 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.494 12.648 0.059 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.746 9.354 2.749 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.084 13.856 1.665 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.330 10.556 4.356 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.807 12.397 4.802 1.00 0.00 H new ATOM 1261 N GLN A 77 3.518 12.121 -1.991 1.00 0.00 N ATOM 1262 CA GLN A 77 3.291 13.320 -2.789 1.00 0.00 C ATOM 1263 C GLN A 77 1.890 13.318 -3.390 1.00 0.00 C ATOM 1264 O GLN A 77 1.370 14.362 -3.782 1.00 0.00 O ATOM 1265 CB GLN A 77 4.336 13.423 -3.901 1.00 0.00 C ATOM 1266 CG GLN A 77 4.391 12.198 -4.799 1.00 0.00 C ATOM 1267 CD GLN A 77 5.226 12.425 -6.044 1.00 0.00 C ATOM 1268 OE1 GLN A 77 4.728 12.910 -7.060 1.00 0.00 O ATOM 1269 NE2 GLN A 77 6.505 12.074 -5.972 1.00 0.00 N ATOM 0 H GLN A 77 3.511 11.252 -2.525 1.00 0.00 H new ATOM 0 HA GLN A 77 3.383 14.185 -2.132 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.121 14.301 -4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.317 13.579 -3.453 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.803 11.359 -4.238 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.378 11.920 -5.091 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.877 11.675 -5.110 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.115 12.203 -6.779 1.00 0.00 H new ATOM 1278 N ASP A 78 1.284 12.137 -3.461 1.00 0.00 N ATOM 1279 CA ASP A 78 -0.058 11.999 -4.014 1.00 0.00 C ATOM 1280 C ASP A 78 -0.618 10.607 -3.738 1.00 0.00 C ATOM 1281 O ASP A 78 0.106 9.711 -3.303 1.00 0.00 O ATOM 1282 CB ASP A 78 -0.042 12.267 -5.520 1.00 0.00 C ATOM 1283 CG ASP A 78 1.166 11.658 -6.203 1.00 0.00 C ATOM 1284 OD1 ASP A 78 1.497 10.494 -5.896 1.00 0.00 O ATOM 1285 OD2 ASP A 78 1.781 12.345 -7.046 1.00 0.00 O ATOM 0 H ASP A 78 1.701 11.262 -3.143 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.702 12.733 -3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.950 11.864 -5.968 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.051 13.343 -5.695 1.00 0.00 H new ATOM 1290 N ILE A 79 -1.910 10.433 -3.994 1.00 0.00 N ATOM 1291 CA ILE A 79 -2.567 9.151 -3.773 1.00 0.00 C ATOM 1292 C ILE A 79 -1.793 8.016 -4.436 1.00 0.00 C ATOM 1293 O ILE A 79 -1.767 6.892 -3.933 1.00 0.00 O ATOM 1294 CB ILE A 79 -4.009 9.157 -4.313 1.00 0.00 C ATOM 1295 CG1 ILE A 79 -4.919 9.970 -3.390 1.00 0.00 C ATOM 1296 CG2 ILE A 79 -4.527 7.733 -4.455 1.00 0.00 C ATOM 1297 CD1 ILE A 79 -5.200 9.293 -2.067 1.00 0.00 C ATOM 0 H ILE A 79 -2.523 11.164 -4.355 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.592 8.991 -2.695 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.011 9.624 -5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.458 10.940 -3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.864 10.159 -3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.547 7.753 -4.838 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.891 7.182 -5.147 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.514 7.242 -3.482 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.851 9.927 -1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.689 8.335 -2.245 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.262 9.128 -1.536 1.00 0.00 H new ATOM 1309 N ASP A 80 -1.162 8.318 -5.565 1.00 0.00 N ATOM 1310 CA ASP A 80 -0.384 7.324 -6.295 1.00 0.00 C ATOM 1311 C ASP A 80 0.768 6.802 -5.443 1.00 0.00 C ATOM 1312 O ASP A 80 1.148 5.636 -5.542 1.00 0.00 O ATOM 1313 CB ASP A 80 0.158 7.924 -7.594 1.00 0.00 C ATOM 1314 CG ASP A 80 -0.937 8.519 -8.458 1.00 0.00 C ATOM 1315 OD1 ASP A 80 -1.263 9.709 -8.267 1.00 0.00 O ATOM 1316 OD2 ASP A 80 -1.468 7.794 -9.325 1.00 0.00 O ATOM 0 H ASP A 80 -1.174 9.243 -5.995 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.042 6.489 -6.535 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.890 8.696 -7.357 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.682 7.151 -8.157 1.00 0.00 H new ATOM 1321 N SER A 81 1.321 7.674 -4.605 1.00 0.00 N ATOM 1322 CA SER A 81 2.433 7.302 -3.738 1.00 0.00 C ATOM 1323 C SER A 81 2.049 6.137 -2.832 1.00 0.00 C ATOM 1324 O SER A 81 2.896 5.333 -2.443 1.00 0.00 O ATOM 1325 CB SER A 81 2.870 8.499 -2.892 1.00 0.00 C ATOM 1326 OG SER A 81 3.344 9.556 -3.709 1.00 0.00 O ATOM 0 H SER A 81 1.017 8.643 -4.508 1.00 0.00 H new ATOM 0 HA SER A 81 3.265 6.989 -4.369 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.031 8.849 -2.290 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.653 8.192 -2.199 1.00 0.00 H new ATOM 0 HG SER A 81 2.655 9.799 -4.362 1.00 0.00 H new ATOM 1332 N MET A 82 0.765 6.053 -2.498 1.00 0.00 N ATOM 1333 CA MET A 82 0.267 4.986 -1.638 1.00 0.00 C ATOM 1334 C MET A 82 -0.110 3.757 -2.460 1.00 0.00 C ATOM 1335 O MET A 82 0.146 2.623 -2.052 1.00 0.00 O ATOM 1336 CB MET A 82 -0.943 5.469 -0.838 1.00 0.00 C ATOM 1337 CG MET A 82 -1.093 4.784 0.511 1.00 0.00 C ATOM 1338 SD MET A 82 -2.356 5.553 1.544 1.00 0.00 S ATOM 1339 CE MET A 82 -3.848 4.922 0.780 1.00 0.00 C ATOM 0 H MET A 82 0.051 6.711 -2.810 1.00 0.00 H new ATOM 0 HA MET A 82 1.063 4.709 -0.947 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.860 6.545 -0.683 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.846 5.301 -1.424 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.345 3.735 0.355 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.137 4.808 1.034 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.579 4.684 1.552 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.260 5.676 0.110 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.613 4.022 0.212 1.00 0.00 H new ATOM 1349 N VAL A 83 -0.719 3.989 -3.618 1.00 0.00 N ATOM 1350 CA VAL A 83 -1.130 2.900 -4.497 1.00 0.00 C ATOM 1351 C VAL A 83 0.076 2.113 -4.998 1.00 0.00 C ATOM 1352 O VAL A 83 0.091 0.884 -4.946 1.00 0.00 O ATOM 1353 CB VAL A 83 -1.925 3.426 -5.707 1.00 0.00 C ATOM 1354 CG1 VAL A 83 -2.271 2.287 -6.654 1.00 0.00 C ATOM 1355 CG2 VAL A 83 -3.183 4.146 -5.245 1.00 0.00 C ATOM 0 H VAL A 83 -0.939 4.921 -3.970 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.770 2.242 -3.909 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.302 4.140 -6.247 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.833 2.677 -7.503 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.354 1.819 -7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.875 1.548 -6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.733 4.511 -6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.811 3.456 -4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.908 4.988 -4.609 1.00 0.00 H new ATOM 1365 N GLU A 84 1.084 2.831 -5.483 1.00 0.00 N ATOM 1366 CA GLU A 84 2.294 2.198 -5.995 1.00 0.00 C ATOM 1367 C GLU A 84 2.859 1.206 -4.982 1.00 0.00 C ATOM 1368 O GLU A 84 3.401 0.165 -5.353 1.00 0.00 O ATOM 1369 CB GLU A 84 3.347 3.257 -6.330 1.00 0.00 C ATOM 1370 CG GLU A 84 3.849 4.022 -5.116 1.00 0.00 C ATOM 1371 CD GLU A 84 5.164 4.730 -5.376 1.00 0.00 C ATOM 1372 OE1 GLU A 84 5.903 4.296 -6.284 1.00 0.00 O ATOM 1373 OE2 GLU A 84 5.454 5.719 -4.671 1.00 0.00 O ATOM 0 H GLU A 84 1.087 3.850 -5.532 1.00 0.00 H new ATOM 0 HA GLU A 84 2.033 1.655 -6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.193 2.774 -6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.925 3.963 -7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.099 4.754 -4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.971 3.332 -4.281 1.00 0.00 H new ATOM 1380 N ASP A 85 2.729 1.538 -3.702 1.00 0.00 N ATOM 1381 CA ASP A 85 3.225 0.677 -2.635 1.00 0.00 C ATOM 1382 C ASP A 85 2.343 -0.558 -2.478 1.00 0.00 C ATOM 1383 O ASP A 85 2.839 -1.682 -2.400 1.00 0.00 O ATOM 1384 CB ASP A 85 3.284 1.447 -1.315 1.00 0.00 C ATOM 1385 CG ASP A 85 4.360 2.516 -1.316 1.00 0.00 C ATOM 1386 OD1 ASP A 85 5.414 2.296 -1.948 1.00 0.00 O ATOM 1387 OD2 ASP A 85 4.147 3.572 -0.685 1.00 0.00 O ATOM 0 H ASP A 85 2.284 2.397 -3.378 1.00 0.00 H new ATOM 0 HA ASP A 85 4.230 0.352 -2.903 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.316 1.910 -1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.470 0.749 -0.499 1.00 0.00 H new ATOM 1392 N PHE A 86 1.033 -0.341 -2.432 1.00 0.00 N ATOM 1393 CA PHE A 86 0.081 -1.436 -2.282 1.00 0.00 C ATOM 1394 C PHE A 86 0.173 -2.401 -3.460 1.00 0.00 C ATOM 1395 O PHE A 86 -0.149 -3.582 -3.336 1.00 0.00 O ATOM 1396 CB PHE A 86 -1.343 -0.889 -2.165 1.00 0.00 C ATOM 1397 CG PHE A 86 -1.739 -0.542 -0.758 1.00 0.00 C ATOM 1398 CD1 PHE A 86 -2.046 -1.538 0.155 1.00 0.00 C ATOM 1399 CD2 PHE A 86 -1.803 0.780 -0.348 1.00 0.00 C ATOM 1400 CE1 PHE A 86 -2.410 -1.223 1.450 1.00 0.00 C ATOM 1401 CE2 PHE A 86 -2.166 1.102 0.946 1.00 0.00 C ATOM 1402 CZ PHE A 86 -2.471 0.099 1.846 1.00 0.00 C ATOM 0 H PHE A 86 0.606 0.583 -2.496 1.00 0.00 H new ATOM 0 HA PHE A 86 0.330 -1.979 -1.370 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.435 -0.000 -2.789 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.041 -1.628 -2.558 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.000 -2.573 -0.149 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.566 1.568 -1.048 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.647 -2.009 2.152 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.211 2.136 1.253 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.757 0.348 2.857 1.00 0.00 H new ATOM 1412 N VAL A 87 0.613 -1.888 -4.605 1.00 0.00 N ATOM 1413 CA VAL A 87 0.748 -2.703 -5.806 1.00 0.00 C ATOM 1414 C VAL A 87 1.968 -3.612 -5.719 1.00 0.00 C ATOM 1415 O VAL A 87 1.848 -4.836 -5.777 1.00 0.00 O ATOM 1416 CB VAL A 87 0.863 -1.827 -7.068 1.00 0.00 C ATOM 1417 CG1 VAL A 87 1.107 -2.690 -8.297 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -0.388 -0.979 -7.243 1.00 0.00 C ATOM 0 H VAL A 87 0.882 -0.912 -4.726 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.152 -3.314 -5.877 1.00 0.00 H new ATOM 0 HB VAL A 87 1.715 -1.158 -6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.185 -2.054 -9.179 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.033 -3.250 -8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.277 -3.385 -8.424 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.290 -0.366 -8.139 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.257 -1.629 -7.341 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.514 -0.333 -6.374 1.00 0.00 H new ATOM 1428 N MET A 88 3.143 -3.006 -5.579 1.00 0.00 N ATOM 1429 CA MET A 88 4.386 -3.762 -5.482 1.00 0.00 C ATOM 1430 C MET A 88 4.344 -4.728 -4.302 1.00 0.00 C ATOM 1431 O MET A 88 5.164 -5.640 -4.206 1.00 0.00 O ATOM 1432 CB MET A 88 5.576 -2.812 -5.337 1.00 0.00 C ATOM 1433 CG MET A 88 5.531 -1.971 -4.071 1.00 0.00 C ATOM 1434 SD MET A 88 6.666 -0.571 -4.127 1.00 0.00 S ATOM 1435 CE MET A 88 8.166 -1.325 -3.503 1.00 0.00 C ATOM 0 H MET A 88 3.260 -1.994 -5.530 1.00 0.00 H new ATOM 0 HA MET A 88 4.503 -4.341 -6.398 1.00 0.00 H new ATOM 0 HB2 MET A 88 6.498 -3.394 -5.345 1.00 0.00 H new ATOM 0 HB3 MET A 88 5.610 -2.150 -6.202 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.516 -1.605 -3.919 1.00 0.00 H new ATOM 0 HG3 MET A 88 5.776 -2.598 -3.214 1.00 0.00 H new ATOM 0 HE1 MET A 88 8.666 -0.634 -2.824 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.917 -2.242 -2.969 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.829 -1.559 -4.336 1.00 0.00 H new ATOM 1445 N MET A 89 3.385 -4.519 -3.406 1.00 0.00 N ATOM 1446 CA MET A 89 3.237 -5.372 -2.233 1.00 0.00 C ATOM 1447 C MET A 89 2.683 -6.739 -2.621 1.00 0.00 C ATOM 1448 O MET A 89 3.252 -7.773 -2.270 1.00 0.00 O ATOM 1449 CB MET A 89 2.318 -4.709 -1.206 1.00 0.00 C ATOM 1450 CG MET A 89 2.394 -5.339 0.175 1.00 0.00 C ATOM 1451 SD MET A 89 1.503 -4.390 1.423 1.00 0.00 S ATOM 1452 CE MET A 89 -0.190 -4.821 1.032 1.00 0.00 C ATOM 0 H MET A 89 2.699 -3.767 -3.470 1.00 0.00 H new ATOM 0 HA MET A 89 4.223 -5.512 -1.790 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.576 -3.653 -1.129 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.290 -4.761 -1.564 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.986 -6.349 0.132 1.00 0.00 H new ATOM 0 HG3 MET A 89 3.439 -5.430 0.471 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.812 -3.927 1.074 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.235 -5.248 0.030 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.556 -5.551 1.754 1.00 0.00 H new ATOM 1462 N PHE A 90 1.569 -6.737 -3.346 1.00 0.00 N ATOM 1463 CA PHE A 90 0.937 -7.977 -3.780 1.00 0.00 C ATOM 1464 C PHE A 90 1.887 -8.796 -4.650 1.00 0.00 C ATOM 1465 O PHE A 90 2.092 -9.985 -4.414 1.00 0.00 O ATOM 1466 CB PHE A 90 -0.348 -7.676 -4.553 1.00 0.00 C ATOM 1467 CG PHE A 90 -1.295 -6.774 -3.814 1.00 0.00 C ATOM 1468 CD1 PHE A 90 -1.833 -7.162 -2.597 1.00 0.00 C ATOM 1469 CD2 PHE A 90 -1.646 -5.539 -4.335 1.00 0.00 C ATOM 1470 CE1 PHE A 90 -2.705 -6.334 -1.915 1.00 0.00 C ATOM 1471 CE2 PHE A 90 -2.518 -4.707 -3.657 1.00 0.00 C ATOM 1472 CZ PHE A 90 -3.047 -5.105 -2.445 1.00 0.00 C ATOM 0 H PHE A 90 1.086 -5.890 -3.645 1.00 0.00 H new ATOM 0 HA PHE A 90 0.691 -8.560 -2.893 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.089 -7.215 -5.506 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.855 -8.614 -4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.568 -8.121 -2.177 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.234 -5.222 -5.282 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.119 -6.648 -0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.785 -3.747 -4.075 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.727 -4.457 -1.912 1.00 0.00 H new ATOM 1482 N ASN A 91 2.463 -8.149 -5.658 1.00 0.00 N ATOM 1483 CA ASN A 91 3.390 -8.816 -6.565 1.00 0.00 C ATOM 1484 C ASN A 91 4.283 -9.793 -5.807 1.00 0.00 C ATOM 1485 O ASN A 91 4.642 -10.851 -6.323 1.00 0.00 O ATOM 1486 CB ASN A 91 4.250 -7.785 -7.298 1.00 0.00 C ATOM 1487 CG ASN A 91 3.565 -7.234 -8.534 1.00 0.00 C ATOM 1488 OD1 ASN A 91 3.711 -7.773 -9.630 1.00 0.00 O ATOM 1489 ND2 ASN A 91 2.813 -6.153 -8.360 1.00 0.00 N ATOM 0 H ASN A 91 2.304 -7.163 -5.867 1.00 0.00 H new ATOM 0 HA ASN A 91 2.806 -9.376 -7.295 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.485 -6.964 -6.620 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.197 -8.243 -7.584 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.328 -5.736 -9.154 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.721 -5.740 -7.432 1.00 0.00 H new ATOM 1496 N ASN A 92 4.638 -9.431 -4.578 1.00 0.00 N ATOM 1497 CA ASN A 92 5.490 -10.276 -3.748 1.00 0.00 C ATOM 1498 C ASN A 92 4.785 -11.584 -3.401 1.00 0.00 C ATOM 1499 O ASN A 92 5.380 -12.659 -3.470 1.00 0.00 O ATOM 1500 CB ASN A 92 5.881 -9.539 -2.466 1.00 0.00 C ATOM 1501 CG ASN A 92 6.581 -8.223 -2.747 1.00 0.00 C ATOM 1502 OD1 ASN A 92 7.060 -7.986 -3.856 1.00 0.00 O ATOM 1503 ND2 ASN A 92 6.644 -7.360 -1.740 1.00 0.00 N ATOM 0 H ASN A 92 4.349 -8.559 -4.135 1.00 0.00 H new ATOM 0 HA ASN A 92 6.392 -10.508 -4.315 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.987 -9.352 -1.870 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.535 -10.175 -1.869 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.103 -6.458 -1.869 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.233 -7.599 -0.837 1.00 0.00 H new ATOM 1510 N ALA A 93 3.513 -11.484 -3.028 1.00 0.00 N ATOM 1511 CA ALA A 93 2.727 -12.659 -2.673 1.00 0.00 C ATOM 1512 C ALA A 93 2.470 -13.537 -3.893 1.00 0.00 C ATOM 1513 O ALA A 93 2.115 -14.709 -3.762 1.00 0.00 O ATOM 1514 CB ALA A 93 1.411 -12.239 -2.035 1.00 0.00 C ATOM 0 H ALA A 93 3.005 -10.602 -2.964 1.00 0.00 H new ATOM 0 HA ALA A 93 3.298 -13.244 -1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.833 -13.126 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.612 -11.659 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.843 -11.630 -2.739 1.00 0.00 H new ATOM 1520 N CYS A 94 2.649 -12.963 -5.077 1.00 0.00 N ATOM 1521 CA CYS A 94 2.435 -13.693 -6.321 1.00 0.00 C ATOM 1522 C CYS A 94 3.698 -14.440 -6.738 1.00 0.00 C ATOM 1523 O CYS A 94 3.629 -15.521 -7.324 1.00 0.00 O ATOM 1524 CB CYS A 94 2.004 -12.734 -7.432 1.00 0.00 C ATOM 1525 SG CYS A 94 0.660 -11.619 -6.965 1.00 0.00 S ATOM 0 H CYS A 94 2.942 -11.994 -5.202 1.00 0.00 H new ATOM 0 HA CYS A 94 1.643 -14.422 -6.153 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.865 -12.140 -7.738 1.00 0.00 H new ATOM 0 HB3 CYS A 94 1.694 -13.316 -8.300 1.00 0.00 H new ATOM 0 HG CYS A 94 1.012 -10.928 -5.921 1.00 0.00 H new ATOM 1531 N THR A 95 4.852 -13.855 -6.434 1.00 0.00 N ATOM 1532 CA THR A 95 6.131 -14.463 -6.780 1.00 0.00 C ATOM 1533 C THR A 95 6.532 -15.519 -5.756 1.00 0.00 C ATOM 1534 O THR A 95 6.689 -16.693 -6.091 1.00 0.00 O ATOM 1535 CB THR A 95 7.248 -13.406 -6.874 1.00 0.00 C ATOM 1536 OG1 THR A 95 7.374 -12.713 -5.627 1.00 0.00 O ATOM 1537 CG2 THR A 95 6.957 -12.410 -7.987 1.00 0.00 C ATOM 0 H THR A 95 4.927 -12.961 -5.949 1.00 0.00 H new ATOM 0 HA THR A 95 6.004 -14.935 -7.754 1.00 0.00 H new ATOM 0 HB THR A 95 8.184 -13.917 -7.100 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.087 -12.044 -5.695 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.759 -11.673 -8.035 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.891 -12.937 -8.939 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.012 -11.905 -7.786 1.00 0.00 H new ATOM 1545 N TYR A 96 6.696 -15.094 -4.508 1.00 0.00 N ATOM 1546 CA TYR A 96 7.080 -16.004 -3.436 1.00 0.00 C ATOM 1547 C TYR A 96 6.123 -17.189 -3.357 1.00 0.00 C ATOM 1548 O TYR A 96 6.537 -18.344 -3.457 1.00 0.00 O ATOM 1549 CB TYR A 96 7.106 -15.266 -2.097 1.00 0.00 C ATOM 1550 CG TYR A 96 7.535 -16.133 -0.935 1.00 0.00 C ATOM 1551 CD1 TYR A 96 6.611 -16.900 -0.237 1.00 0.00 C ATOM 1552 CD2 TYR A 96 8.865 -16.185 -0.535 1.00 0.00 C ATOM 1553 CE1 TYR A 96 6.998 -17.694 0.826 1.00 0.00 C ATOM 1554 CE2 TYR A 96 9.262 -16.976 0.526 1.00 0.00 C ATOM 1555 CZ TYR A 96 8.325 -17.729 1.203 1.00 0.00 C ATOM 1556 OH TYR A 96 8.715 -18.517 2.261 1.00 0.00 O ATOM 0 H TYR A 96 6.569 -14.126 -4.214 1.00 0.00 H new ATOM 0 HA TYR A 96 8.079 -16.381 -3.655 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.783 -14.415 -2.174 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.113 -14.866 -1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.572 -16.875 -0.530 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.601 -15.597 -1.063 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.266 -18.284 1.358 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.300 -17.005 0.824 1.00 0.00 H new ATOM 0 HH TYR A 96 9.682 -18.429 2.396 1.00 0.00 H new ATOM 1566 N ASN A 97 4.839 -16.894 -3.178 1.00 0.00 N ATOM 1567 CA ASN A 97 3.821 -17.934 -3.086 1.00 0.00 C ATOM 1568 C ASN A 97 3.215 -18.224 -4.455 1.00 0.00 C ATOM 1569 O ASN A 97 3.296 -17.403 -5.368 1.00 0.00 O ATOM 1570 CB ASN A 97 2.722 -17.515 -2.108 1.00 0.00 C ATOM 1571 CG ASN A 97 3.150 -17.661 -0.660 1.00 0.00 C ATOM 1572 OD1 ASN A 97 2.686 -16.750 0.188 1.00 0.00 O flip ATOM 1573 ND2 ASN A 97 3.889 -18.581 -0.309 1.00 0.00 N flip ATOM 0 H ASN A 97 4.479 -15.943 -3.094 1.00 0.00 H new ATOM 0 HA ASN A 97 4.298 -18.843 -2.719 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.445 -16.478 -2.299 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.833 -18.120 -2.284 1.00 0.00 H new ATOM 0 HD21 ASN A 97 4.221 -19.258 -0.995 1.00 0.00 H new ATOM 0 HD22 ASN A 97 4.169 -18.666 0.668 1.00 0.00 H new ATOM 1580 N GLU A 98 2.607 -19.399 -4.591 1.00 0.00 N ATOM 1581 CA GLU A 98 1.987 -19.798 -5.849 1.00 0.00 C ATOM 1582 C GLU A 98 0.648 -19.093 -6.043 1.00 0.00 C ATOM 1583 O GLU A 98 -0.045 -18.747 -5.085 1.00 0.00 O ATOM 1584 CB GLU A 98 1.789 -21.314 -5.887 1.00 0.00 C ATOM 1585 CG GLU A 98 3.084 -22.101 -5.779 1.00 0.00 C ATOM 1586 CD GLU A 98 3.958 -21.958 -7.010 1.00 0.00 C ATOM 1587 OE1 GLU A 98 4.549 -20.874 -7.196 1.00 0.00 O ATOM 1588 OE2 GLU A 98 4.051 -22.931 -7.787 1.00 0.00 O ATOM 0 H GLU A 98 2.531 -20.091 -3.845 1.00 0.00 H new ATOM 0 HA GLU A 98 2.652 -19.506 -6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.128 -21.606 -5.071 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.287 -21.583 -6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.638 -21.763 -4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.853 -23.155 -5.623 1.00 0.00 H new ATOM 1595 N PRO A 99 0.274 -18.873 -7.312 1.00 0.00 N ATOM 1596 CA PRO A 99 -0.985 -18.208 -7.662 1.00 0.00 C ATOM 1597 C PRO A 99 -2.203 -19.070 -7.349 1.00 0.00 C ATOM 1598 O PRO A 99 -3.340 -18.662 -7.584 1.00 0.00 O ATOM 1599 CB PRO A 99 -0.861 -17.987 -9.172 1.00 0.00 C ATOM 1600 CG PRO A 99 0.082 -19.044 -9.634 1.00 0.00 C ATOM 1601 CD PRO A 99 1.050 -19.258 -8.503 1.00 0.00 C ATOM 0 HA PRO A 99 -1.133 -17.290 -7.093 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -1.829 -18.076 -9.666 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -0.480 -16.991 -9.396 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -0.450 -19.965 -9.872 1.00 0.00 H new ATOM 0 HG3 PRO A 99 0.603 -18.734 -10.540 1.00 0.00 H new ATOM 0 HD2 PRO A 99 1.381 -20.295 -8.449 1.00 0.00 H new ATOM 0 HD3 PRO A 99 1.943 -18.643 -8.617 1.00 0.00 H new ATOM 1609 N GLU A 100 -1.957 -20.263 -6.817 1.00 0.00 N ATOM 1610 CA GLU A 100 -3.036 -21.182 -6.472 1.00 0.00 C ATOM 1611 C GLU A 100 -3.402 -21.061 -4.996 1.00 0.00 C ATOM 1612 O GLU A 100 -4.559 -21.241 -4.616 1.00 0.00 O ATOM 1613 CB GLU A 100 -2.630 -22.623 -6.792 1.00 0.00 C ATOM 1614 CG GLU A 100 -3.811 -23.563 -6.963 1.00 0.00 C ATOM 1615 CD GLU A 100 -3.386 -24.969 -7.343 1.00 0.00 C ATOM 1616 OE1 GLU A 100 -3.103 -25.771 -6.430 1.00 0.00 O ATOM 1617 OE2 GLU A 100 -3.338 -25.266 -8.556 1.00 0.00 O ATOM 0 H GLU A 100 -1.021 -20.616 -6.616 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.909 -20.917 -7.068 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.035 -22.630 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.991 -22.998 -5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -4.381 -23.598 -6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -4.477 -23.168 -7.731 1.00 0.00 H new ATOM 1624 N SER A 101 -2.408 -20.756 -4.168 1.00 0.00 N ATOM 1625 CA SER A 101 -2.624 -20.615 -2.733 1.00 0.00 C ATOM 1626 C SER A 101 -3.709 -19.582 -2.446 1.00 0.00 C ATOM 1627 O SER A 101 -3.785 -18.544 -3.105 1.00 0.00 O ATOM 1628 CB SER A 101 -1.322 -20.211 -2.037 1.00 0.00 C ATOM 1629 OG SER A 101 -0.344 -21.230 -2.154 1.00 0.00 O ATOM 0 H SER A 101 -1.445 -20.602 -4.467 1.00 0.00 H new ATOM 0 HA SER A 101 -2.952 -21.579 -2.343 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.943 -19.287 -2.475 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.517 -20.008 -0.984 1.00 0.00 H new ATOM 0 HG SER A 101 0.479 -20.947 -1.703 1.00 0.00 H new ATOM 1635 N LEU A 102 -4.548 -19.873 -1.457 1.00 0.00 N ATOM 1636 CA LEU A 102 -5.630 -18.971 -1.081 1.00 0.00 C ATOM 1637 C LEU A 102 -5.116 -17.545 -0.912 1.00 0.00 C ATOM 1638 O LEU A 102 -5.817 -16.581 -1.222 1.00 0.00 O ATOM 1639 CB LEU A 102 -6.288 -19.445 0.216 1.00 0.00 C ATOM 1640 CG LEU A 102 -5.635 -18.966 1.514 1.00 0.00 C ATOM 1641 CD1 LEU A 102 -6.491 -19.343 2.713 1.00 0.00 C ATOM 1642 CD2 LEU A 102 -4.235 -19.546 1.652 1.00 0.00 C ATOM 0 H LEU A 102 -4.499 -20.727 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.371 -18.978 -1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.328 -19.117 0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.297 -20.535 0.218 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.555 -17.880 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.011 -18.994 3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.473 -18.879 2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.604 -20.426 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.786 -19.195 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.292 -20.634 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.623 -19.225 0.809 1.00 0.00 H new ATOM 1654 N ILE A 103 -3.888 -17.418 -0.422 1.00 0.00 N ATOM 1655 CA ILE A 103 -3.279 -16.110 -0.216 1.00 0.00 C ATOM 1656 C ILE A 103 -3.287 -15.291 -1.502 1.00 0.00 C ATOM 1657 O ILE A 103 -3.384 -14.064 -1.469 1.00 0.00 O ATOM 1658 CB ILE A 103 -1.830 -16.236 0.290 1.00 0.00 C ATOM 1659 CG1 ILE A 103 -1.203 -14.851 0.459 1.00 0.00 C ATOM 1660 CG2 ILE A 103 -1.007 -17.083 -0.669 1.00 0.00 C ATOM 1661 CD1 ILE A 103 0.107 -14.869 1.215 1.00 0.00 C ATOM 0 H ILE A 103 -3.295 -18.205 -0.160 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.876 -15.600 0.540 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.841 -16.729 1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.039 -14.413 -0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.907 -14.204 0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.015 -17.163 -0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.445 -18.078 -0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.000 -16.615 -1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.494 -13.853 1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.054 -15.277 2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.827 -15.489 0.681 1.00 0.00 H new ATOM 1673 N TYR A 104 -3.186 -15.978 -2.635 1.00 0.00 N ATOM 1674 CA TYR A 104 -3.181 -15.315 -3.933 1.00 0.00 C ATOM 1675 C TYR A 104 -4.558 -14.746 -4.260 1.00 0.00 C ATOM 1676 O TYR A 104 -4.722 -13.535 -4.417 1.00 0.00 O ATOM 1677 CB TYR A 104 -2.748 -16.292 -5.027 1.00 0.00 C ATOM 1678 CG TYR A 104 -2.976 -15.773 -6.428 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -2.026 -14.979 -7.059 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -4.142 -16.073 -7.121 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -2.230 -14.502 -8.339 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -4.354 -15.601 -8.402 1.00 0.00 C ATOM 1683 CZ TYR A 104 -3.395 -14.816 -9.007 1.00 0.00 C ATOM 1684 OH TYR A 104 -3.603 -14.342 -10.282 1.00 0.00 O ATOM 0 H TYR A 104 -3.107 -16.994 -2.680 1.00 0.00 H new ATOM 0 HA TYR A 104 -2.469 -14.491 -3.888 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.690 -16.520 -4.901 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.292 -17.228 -4.902 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -1.112 -14.731 -6.539 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -4.896 -16.686 -6.650 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -1.481 -13.886 -8.814 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -5.266 -15.845 -8.927 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.472 -14.656 -10.610 1.00 0.00 H new ATOM 1694 N LYS A 105 -5.547 -15.628 -4.359 1.00 0.00 N ATOM 1695 CA LYS A 105 -6.912 -15.216 -4.665 1.00 0.00 C ATOM 1696 C LYS A 105 -7.341 -14.052 -3.777 1.00 0.00 C ATOM 1697 O LYS A 105 -8.070 -13.161 -4.214 1.00 0.00 O ATOM 1698 CB LYS A 105 -7.874 -16.392 -4.483 1.00 0.00 C ATOM 1699 CG LYS A 105 -7.590 -17.560 -5.411 1.00 0.00 C ATOM 1700 CD LYS A 105 -8.418 -18.779 -5.044 1.00 0.00 C ATOM 1701 CE LYS A 105 -8.416 -19.812 -6.161 1.00 0.00 C ATOM 1702 NZ LYS A 105 -9.506 -20.813 -5.993 1.00 0.00 N ATOM 0 H LYS A 105 -5.429 -16.633 -4.232 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.942 -14.887 -5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.820 -16.738 -3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.894 -16.045 -4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.805 -17.269 -6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.530 -17.812 -5.366 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.023 -19.227 -4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -9.443 -18.474 -4.831 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.530 -19.309 -7.121 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.453 -20.323 -6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.471 -21.499 -6.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.383 -21.311 -5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.426 -20.329 -5.999 1.00 0.00 H new ATOM 1716 N ASP A 106 -6.884 -14.066 -2.530 1.00 0.00 N ATOM 1717 CA ASP A 106 -7.219 -13.010 -1.581 1.00 0.00 C ATOM 1718 C ASP A 106 -6.425 -11.742 -1.878 1.00 0.00 C ATOM 1719 O ASP A 106 -6.947 -10.632 -1.771 1.00 0.00 O ATOM 1720 CB ASP A 106 -6.945 -13.475 -0.150 1.00 0.00 C ATOM 1721 CG ASP A 106 -8.113 -14.235 0.446 1.00 0.00 C ATOM 1722 OD1 ASP A 106 -8.400 -15.353 -0.032 1.00 0.00 O ATOM 1723 OD2 ASP A 106 -8.741 -13.712 1.390 1.00 0.00 O ATOM 0 H ASP A 106 -6.281 -14.797 -2.152 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.281 -12.785 -1.684 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -6.059 -14.110 -0.141 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.722 -12.609 0.474 1.00 0.00 H new ATOM 1728 N ALA A 107 -5.161 -11.914 -2.250 1.00 0.00 N ATOM 1729 CA ALA A 107 -4.296 -10.783 -2.563 1.00 0.00 C ATOM 1730 C ALA A 107 -4.895 -9.924 -3.671 1.00 0.00 C ATOM 1731 O ALA A 107 -4.897 -8.695 -3.585 1.00 0.00 O ATOM 1732 CB ALA A 107 -2.912 -11.273 -2.962 1.00 0.00 C ATOM 0 H ALA A 107 -4.713 -12.826 -2.342 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.208 -10.166 -1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.276 -10.418 -3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.475 -11.838 -2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.992 -11.914 -3.840 1.00 0.00 H new ATOM 1738 N LEU A 108 -5.402 -10.576 -4.711 1.00 0.00 N ATOM 1739 CA LEU A 108 -6.004 -9.871 -5.837 1.00 0.00 C ATOM 1740 C LEU A 108 -7.168 -9.001 -5.375 1.00 0.00 C ATOM 1741 O LEU A 108 -7.264 -7.829 -5.740 1.00 0.00 O ATOM 1742 CB LEU A 108 -6.486 -10.870 -6.891 1.00 0.00 C ATOM 1743 CG LEU A 108 -5.422 -11.393 -7.856 1.00 0.00 C ATOM 1744 CD1 LEU A 108 -5.285 -10.466 -9.054 1.00 0.00 C ATOM 1745 CD2 LEU A 108 -4.086 -11.548 -7.144 1.00 0.00 C ATOM 0 H LEU A 108 -5.408 -11.592 -4.798 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.244 -9.225 -6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.933 -11.722 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.277 -10.399 -7.474 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.736 -12.373 -8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.523 -10.855 -9.730 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.239 -10.406 -9.579 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.995 -9.472 -8.714 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.341 -11.921 -7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.766 -10.581 -6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.193 -12.253 -6.320 1.00 0.00 H new ATOM 1757 N VAL A 109 -8.051 -9.581 -4.569 1.00 0.00 N ATOM 1758 CA VAL A 109 -9.208 -8.858 -4.054 1.00 0.00 C ATOM 1759 C VAL A 109 -8.791 -7.538 -3.416 1.00 0.00 C ATOM 1760 O VAL A 109 -9.407 -6.498 -3.654 1.00 0.00 O ATOM 1761 CB VAL A 109 -9.978 -9.696 -3.016 1.00 0.00 C ATOM 1762 CG1 VAL A 109 -11.142 -8.902 -2.446 1.00 0.00 C ATOM 1763 CG2 VAL A 109 -10.462 -10.998 -3.637 1.00 0.00 C ATOM 0 H VAL A 109 -7.987 -10.550 -4.258 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.860 -8.658 -4.904 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.301 -9.940 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.674 -9.510 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.765 -8.000 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.822 -8.625 -3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -11.004 -11.578 -2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -11.123 -10.778 -4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.606 -11.572 -3.991 1.00 0.00 H new ATOM 1773 N LEU A 110 -7.740 -7.585 -2.604 1.00 0.00 N ATOM 1774 CA LEU A 110 -7.239 -6.392 -1.931 1.00 0.00 C ATOM 1775 C LEU A 110 -6.720 -5.374 -2.942 1.00 0.00 C ATOM 1776 O LEU A 110 -6.643 -4.180 -2.653 1.00 0.00 O ATOM 1777 CB LEU A 110 -6.126 -6.765 -0.950 1.00 0.00 C ATOM 1778 CG LEU A 110 -6.545 -7.624 0.244 1.00 0.00 C ATOM 1779 CD1 LEU A 110 -5.323 -8.112 1.005 1.00 0.00 C ATOM 1780 CD2 LEU A 110 -7.472 -6.842 1.164 1.00 0.00 C ATOM 0 H LEU A 110 -7.219 -8.437 -2.396 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.065 -5.942 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.348 -7.296 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.679 -5.846 -0.572 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.086 -8.494 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.641 -8.721 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.696 -8.709 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.754 -7.256 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.760 -7.468 2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.957 -5.954 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.364 -6.543 0.613 1.00 0.00 H new ATOM 1792 N HIS A 111 -6.366 -5.855 -4.130 1.00 0.00 N ATOM 1793 CA HIS A 111 -5.857 -4.986 -5.186 1.00 0.00 C ATOM 1794 C HIS A 111 -6.996 -4.231 -5.864 1.00 0.00 C ATOM 1795 O HIS A 111 -6.946 -3.009 -6.008 1.00 0.00 O ATOM 1796 CB HIS A 111 -5.085 -5.805 -6.221 1.00 0.00 C ATOM 1797 CG HIS A 111 -4.168 -4.982 -7.072 1.00 0.00 C ATOM 1798 ND1 HIS A 111 -3.220 -5.533 -7.908 1.00 0.00 N ATOM 1799 CD2 HIS A 111 -4.058 -3.640 -7.215 1.00 0.00 C ATOM 1800 CE1 HIS A 111 -2.566 -4.566 -8.527 1.00 0.00 C ATOM 1801 NE2 HIS A 111 -3.056 -3.408 -8.124 1.00 0.00 N ATOM 0 H HIS A 111 -6.422 -6.841 -4.385 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.183 -4.260 -4.732 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.502 -6.569 -5.707 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.795 -6.325 -6.864 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -3.050 -6.531 -8.030 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -4.649 -2.891 -6.708 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.767 -4.700 -9.241 1.00 0.00 H new ATOM 1810 N LYS A 112 -8.022 -4.966 -6.279 1.00 0.00 N ATOM 1811 CA LYS A 112 -9.174 -4.367 -6.942 1.00 0.00 C ATOM 1812 C LYS A 112 -9.879 -3.376 -6.020 1.00 0.00 C ATOM 1813 O LYS A 112 -10.272 -2.290 -6.444 1.00 0.00 O ATOM 1814 CB LYS A 112 -10.156 -5.454 -7.386 1.00 0.00 C ATOM 1815 CG LYS A 112 -10.491 -6.453 -6.292 1.00 0.00 C ATOM 1816 CD LYS A 112 -11.559 -7.436 -6.743 1.00 0.00 C ATOM 1817 CE LYS A 112 -12.958 -6.899 -6.480 1.00 0.00 C ATOM 1818 NZ LYS A 112 -13.404 -5.966 -7.552 1.00 0.00 N ATOM 0 H LYS A 112 -8.079 -5.978 -6.168 1.00 0.00 H new ATOM 0 HA LYS A 112 -8.816 -3.829 -7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -11.076 -4.982 -7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -9.734 -5.988 -8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.591 -6.998 -6.007 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -10.836 -5.921 -5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -11.441 -7.640 -7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -11.427 -8.383 -6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -13.659 -7.731 -6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -12.975 -6.384 -5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -14.427 -6.077 -7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -13.201 -4.987 -7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -12.896 -6.182 -8.434 1.00 0.00 H new ATOM 1832 N VAL A 113 -10.033 -3.759 -4.756 1.00 0.00 N ATOM 1833 CA VAL A 113 -10.687 -2.903 -3.773 1.00 0.00 C ATOM 1834 C VAL A 113 -10.018 -1.535 -3.703 1.00 0.00 C ATOM 1835 O VAL A 113 -10.685 -0.501 -3.758 1.00 0.00 O ATOM 1836 CB VAL A 113 -10.671 -3.543 -2.373 1.00 0.00 C ATOM 1837 CG1 VAL A 113 -11.133 -2.544 -1.323 1.00 0.00 C ATOM 1838 CG2 VAL A 113 -11.538 -4.793 -2.349 1.00 0.00 C ATOM 0 H VAL A 113 -9.714 -4.656 -4.389 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.721 -2.782 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.647 -3.834 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.115 -3.015 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.467 -1.681 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.148 -2.220 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.515 -5.233 -1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.564 -4.529 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -11.157 -5.514 -3.072 1.00 0.00 H new ATOM 1848 N LEU A 114 -8.695 -1.536 -3.581 1.00 0.00 N ATOM 1849 CA LEU A 114 -7.933 -0.295 -3.503 1.00 0.00 C ATOM 1850 C LEU A 114 -8.305 0.645 -4.646 1.00 0.00 C ATOM 1851 O LEU A 114 -8.412 1.857 -4.457 1.00 0.00 O ATOM 1852 CB LEU A 114 -6.433 -0.591 -3.538 1.00 0.00 C ATOM 1853 CG LEU A 114 -5.510 0.625 -3.633 1.00 0.00 C ATOM 1854 CD1 LEU A 114 -5.528 1.412 -2.332 1.00 0.00 C ATOM 1855 CD2 LEU A 114 -4.093 0.193 -3.979 1.00 0.00 C ATOM 0 H LEU A 114 -8.128 -2.383 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.178 0.194 -2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -6.172 -1.150 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -6.231 -1.242 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.875 1.273 -4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.866 2.273 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.543 1.754 -2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.189 0.774 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.450 1.071 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.718 -0.476 -3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.095 -0.326 -4.938 1.00 0.00 H new ATOM 1867 N LEU A 115 -8.501 0.077 -5.831 1.00 0.00 N ATOM 1868 CA LEU A 115 -8.864 0.864 -7.005 1.00 0.00 C ATOM 1869 C LEU A 115 -10.335 1.263 -6.960 1.00 0.00 C ATOM 1870 O LEU A 115 -10.755 2.197 -7.642 1.00 0.00 O ATOM 1871 CB LEU A 115 -8.578 0.072 -8.282 1.00 0.00 C ATOM 1872 CG LEU A 115 -7.120 -0.331 -8.509 1.00 0.00 C ATOM 1873 CD1 LEU A 115 -7.011 -1.310 -9.668 1.00 0.00 C ATOM 1874 CD2 LEU A 115 -6.261 0.899 -8.766 1.00 0.00 C ATOM 0 H LEU A 115 -8.415 -0.924 -6.004 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.260 1.772 -7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.186 -0.832 -8.269 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.907 0.665 -9.135 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.755 -0.824 -7.608 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.967 -1.585 -9.815 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.594 -2.204 -9.446 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.394 -0.843 -10.576 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.227 0.594 -8.925 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.626 1.419 -9.651 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.314 1.566 -7.906 1.00 0.00 H new ATOM 1886 N GLU A 116 -11.112 0.550 -6.150 1.00 0.00 N ATOM 1887 CA GLU A 116 -12.537 0.832 -6.015 1.00 0.00 C ATOM 1888 C GLU A 116 -12.768 2.061 -5.140 1.00 0.00 C ATOM 1889 O GLU A 116 -13.367 3.045 -5.576 1.00 0.00 O ATOM 1890 CB GLU A 116 -13.264 -0.375 -5.421 1.00 0.00 C ATOM 1891 CG GLU A 116 -13.377 -1.550 -6.378 1.00 0.00 C ATOM 1892 CD GLU A 116 -14.534 -1.403 -7.348 1.00 0.00 C ATOM 1893 OE1 GLU A 116 -15.638 -1.029 -6.900 1.00 0.00 O ATOM 1894 OE2 GLU A 116 -14.335 -1.662 -8.553 1.00 0.00 O ATOM 0 H GLU A 116 -10.779 -0.226 -5.578 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.937 1.035 -7.008 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -12.739 -0.699 -4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -14.264 -0.071 -5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.448 -1.648 -6.939 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -13.502 -2.469 -5.806 1.00 0.00 H new ATOM 1901 N THR A 117 -12.289 1.996 -3.902 1.00 0.00 N ATOM 1902 CA THR A 117 -12.444 3.101 -2.964 1.00 0.00 C ATOM 1903 C THR A 117 -12.091 4.432 -3.618 1.00 0.00 C ATOM 1904 O THR A 117 -12.775 5.435 -3.415 1.00 0.00 O ATOM 1905 CB THR A 117 -11.562 2.906 -1.716 1.00 0.00 C ATOM 1906 OG1 THR A 117 -11.598 4.084 -0.902 1.00 0.00 O ATOM 1907 CG2 THR A 117 -10.125 2.601 -2.110 1.00 0.00 C ATOM 0 H THR A 117 -11.790 1.190 -3.525 1.00 0.00 H new ATOM 0 HA THR A 117 -13.491 3.114 -2.662 1.00 0.00 H new ATOM 0 HB THR A 117 -11.954 2.061 -1.150 1.00 0.00 H new ATOM 0 HG1 THR A 117 -11.171 3.899 -0.040 1.00 0.00 H new ATOM 0 HG21 THR A 117 -9.522 2.467 -1.212 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.097 1.688 -2.705 1.00 0.00 H new ATOM 0 HG23 THR A 117 -9.725 3.429 -2.696 1.00 0.00 H new ATOM 1915 N ARG A 118 -11.020 4.433 -4.405 1.00 0.00 N ATOM 1916 CA ARG A 118 -10.576 5.642 -5.090 1.00 0.00 C ATOM 1917 C ARG A 118 -11.764 6.407 -5.666 1.00 0.00 C ATOM 1918 O ARG A 118 -12.696 5.811 -6.206 1.00 0.00 O ATOM 1919 CB ARG A 118 -9.593 5.289 -6.207 1.00 0.00 C ATOM 1920 CG ARG A 118 -8.251 4.787 -5.701 1.00 0.00 C ATOM 1921 CD ARG A 118 -7.444 5.905 -5.059 1.00 0.00 C ATOM 1922 NE ARG A 118 -6.659 6.647 -6.043 1.00 0.00 N ATOM 1923 CZ ARG A 118 -7.113 7.712 -6.693 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -8.341 8.158 -6.466 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -6.339 8.334 -7.573 1.00 0.00 N ATOM 0 H ARG A 118 -10.444 3.611 -4.584 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.074 6.279 -4.362 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -10.040 4.526 -6.845 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.431 6.170 -6.829 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -8.410 3.989 -4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.686 4.358 -6.529 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -8.118 6.589 -4.543 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -6.778 5.485 -4.306 1.00 0.00 H new ATOM 0 HE ARG A 118 -5.710 6.329 -6.241 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -8.939 7.683 -5.791 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -8.687 8.976 -6.967 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -5.394 7.994 -7.751 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -6.689 9.152 -8.072 1.00 0.00 H new