USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=30 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 62 MET CE :methyl 173:sc= -0.097 (180deg=-0.203) USER MOD Set 1.2: A 88 MET CE :methyl -138:sc= 0 (180deg=-0.805) USER MOD Set 2.1: A 21 ASN : amide:sc= -1.59 K(o=-3.1,f=-6.1) USER MOD Set 2.2: A 71 MET CE :methyl 170:sc= -0.752 (180deg=-0.97) USER MOD Set 2.3: A 72 MET CE :methyl -140:sc= -0.731 (180deg=-0.23) USER MOD Single : A 16 MET CE :methyl -165:sc= -0.0745 (180deg=-0.472) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.00024) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.48 F(o=-2.7,f=-1.5) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00925 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 100:sc= -0.541 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 150:sc= -0.561 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 60 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.051) USER MOD Single : A 64 MET CE :methyl 163:sc= -0.0165 (180deg=-0.499) USER MOD Single : A 66 LYS NZ :NH3+ 176:sc= 0.0641 (180deg=0.0609) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc=-0.00506 K(o=-0.0051,f=-0.51) USER MOD Single : A 74 ASN : amide:sc= -1.67 X(o=-1.7,f=-1.4) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 81 SER OG : rot -170:sc= 0 USER MOD Single : A 82 MET CE :methyl 142:sc= -2.98 (180deg=-5.03!) USER MOD Single : A 89 MET CE :methyl 164:sc= -0.517 (180deg=-0.932) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 92 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.1) USER MOD Single : A 94 CYS SG : rot -72:sc= 0.292 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 14:sc= -2.62! USER MOD Single : A 97 ASN : amide:sc= 0.0483 X(o=0.048,f=0) USER MOD Single : A 101 SER OG : rot 174:sc= -1.23 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -163:sc= -0.033 (180deg=-0.243) USER MOD Single : A 111 HIS : no HD1:sc= -0.0615 X(o=-0.062,f=-0.0054) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N PRO A 15 -8.458 18.236 3.140 1.00 0.00 N ATOM 196 CA PRO A 15 -9.294 17.075 2.821 1.00 0.00 C ATOM 197 C PRO A 15 -8.570 16.065 1.937 1.00 0.00 C ATOM 198 O PRO A 15 -9.126 15.025 1.583 1.00 0.00 O ATOM 199 CB PRO A 15 -10.481 17.687 2.072 1.00 0.00 C ATOM 200 CG PRO A 15 -9.951 18.952 1.492 1.00 0.00 C ATOM 201 CD PRO A 15 -8.929 19.461 2.471 1.00 0.00 C ATOM 0 HA PRO A 15 -9.577 16.519 3.715 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.846 17.017 1.294 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.317 17.879 2.745 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -9.501 18.775 0.515 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.750 19.680 1.348 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.115 19.982 1.967 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.367 20.163 3.180 1.00 0.00 H new ATOM 209 N MET A 16 -7.328 16.378 1.583 1.00 0.00 N ATOM 210 CA MET A 16 -6.528 15.495 0.742 1.00 0.00 C ATOM 211 C MET A 16 -5.639 14.592 1.591 1.00 0.00 C ATOM 212 O MET A 16 -5.251 13.507 1.160 1.00 0.00 O ATOM 213 CB MET A 16 -5.669 16.316 -0.222 1.00 0.00 C ATOM 214 CG MET A 16 -6.347 16.594 -1.554 1.00 0.00 C ATOM 215 SD MET A 16 -6.875 15.088 -2.393 1.00 0.00 S ATOM 216 CE MET A 16 -5.306 14.251 -2.605 1.00 0.00 C ATOM 0 H MET A 16 -6.854 17.236 1.865 1.00 0.00 H new ATOM 0 HA MET A 16 -7.208 14.867 0.167 1.00 0.00 H new ATOM 0 HB2 MET A 16 -5.412 17.264 0.251 1.00 0.00 H new ATOM 0 HB3 MET A 16 -4.734 15.787 -0.403 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.212 17.236 -1.390 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.661 17.143 -2.199 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.418 13.446 -3.331 1.00 0.00 H new ATOM 0 HE2 MET A 16 -4.560 14.961 -2.963 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.983 13.836 -1.650 1.00 0.00 H new ATOM 226 N GLN A 17 -5.321 15.049 2.798 1.00 0.00 N ATOM 227 CA GLN A 17 -4.476 14.282 3.706 1.00 0.00 C ATOM 228 C GLN A 17 -5.247 13.112 4.309 1.00 0.00 C ATOM 229 O GLN A 17 -4.701 12.024 4.491 1.00 0.00 O ATOM 230 CB GLN A 17 -3.939 15.182 4.820 1.00 0.00 C ATOM 231 CG GLN A 17 -2.712 15.982 4.417 1.00 0.00 C ATOM 232 CD GLN A 17 -2.083 16.716 5.585 1.00 0.00 C ATOM 233 OE1 GLN A 17 -2.766 17.418 6.332 1.00 0.00 O ATOM 234 NE2 GLN A 17 -0.775 16.556 5.751 1.00 0.00 N ATOM 0 H GLN A 17 -5.635 15.945 3.169 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.638 13.885 3.134 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.725 15.870 5.131 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.693 14.567 5.686 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.975 15.311 3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.989 16.702 3.647 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.248 15.965 5.108 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.298 17.024 6.521 1.00 0.00 H new ATOM 243 N GLN A 18 -6.520 13.344 4.616 1.00 0.00 N ATOM 244 CA GLN A 18 -7.365 12.309 5.200 1.00 0.00 C ATOM 245 C GLN A 18 -7.643 11.200 4.190 1.00 0.00 C ATOM 246 O GLN A 18 -7.468 10.017 4.486 1.00 0.00 O ATOM 247 CB GLN A 18 -8.683 12.912 5.688 1.00 0.00 C ATOM 248 CG GLN A 18 -8.501 14.039 6.691 1.00 0.00 C ATOM 249 CD GLN A 18 -9.808 14.720 7.048 1.00 0.00 C ATOM 250 OE1 GLN A 18 -10.470 15.307 6.191 1.00 0.00 O ATOM 251 NE2 GLN A 18 -10.188 14.644 8.318 1.00 0.00 N ATOM 0 H GLN A 18 -6.988 14.239 4.470 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.834 11.878 6.049 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.241 13.287 4.830 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.286 12.126 6.142 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.043 13.643 7.597 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.811 14.777 6.281 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.609 14.147 8.995 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.059 15.082 8.617 1.00 0.00 H new ATOM 260 N LYS A 19 -8.077 11.589 2.996 1.00 0.00 N ATOM 261 CA LYS A 19 -8.378 10.629 1.941 1.00 0.00 C ATOM 262 C LYS A 19 -7.367 9.487 1.939 1.00 0.00 C ATOM 263 O LYS A 19 -7.736 8.317 1.826 1.00 0.00 O ATOM 264 CB LYS A 19 -8.383 11.323 0.577 1.00 0.00 C ATOM 265 CG LYS A 19 -8.481 10.361 -0.595 1.00 0.00 C ATOM 266 CD LYS A 19 -9.927 10.097 -0.979 1.00 0.00 C ATOM 267 CE LYS A 19 -10.506 8.926 -0.198 1.00 0.00 C ATOM 268 NZ LYS A 19 -11.976 9.060 -0.006 1.00 0.00 N ATOM 0 H LYS A 19 -8.228 12.563 2.735 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.367 10.214 2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.221 12.019 0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.473 11.914 0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.946 10.772 -1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.994 9.420 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.523 10.990 -0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.989 9.890 -2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.292 7.996 -0.725 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.017 8.861 0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.332 8.243 0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.179 9.934 0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.445 9.097 -0.933 1.00 0.00 H new ATOM 282 N LEU A 20 -6.091 9.833 2.065 1.00 0.00 N ATOM 283 CA LEU A 20 -5.026 8.836 2.080 1.00 0.00 C ATOM 284 C LEU A 20 -5.237 7.829 3.206 1.00 0.00 C ATOM 285 O LEU A 20 -5.401 6.635 2.961 1.00 0.00 O ATOM 286 CB LEU A 20 -3.665 9.517 2.238 1.00 0.00 C ATOM 287 CG LEU A 20 -3.211 10.390 1.067 1.00 0.00 C ATOM 288 CD1 LEU A 20 -2.275 11.487 1.550 1.00 0.00 C ATOM 289 CD2 LEU A 20 -2.535 9.541 0.000 1.00 0.00 C ATOM 0 H LEU A 20 -5.768 10.796 2.158 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.050 8.301 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.692 10.134 3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.912 8.746 2.404 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.091 10.860 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.963 12.098 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.792 12.113 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.398 11.038 2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.218 10.178 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.665 9.043 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.237 8.792 -0.368 1.00 0.00 H new ATOM 301 N ASN A 21 -5.234 8.321 4.440 1.00 0.00 N ATOM 302 CA ASN A 21 -5.427 7.464 5.605 1.00 0.00 C ATOM 303 C ASN A 21 -6.709 6.648 5.473 1.00 0.00 C ATOM 304 O ASN A 21 -6.786 5.514 5.943 1.00 0.00 O ATOM 305 CB ASN A 21 -5.474 8.306 6.881 1.00 0.00 C ATOM 306 CG ASN A 21 -5.255 7.475 8.130 1.00 0.00 C ATOM 307 OD1 ASN A 21 -4.274 7.664 8.851 1.00 0.00 O ATOM 308 ND2 ASN A 21 -6.169 6.548 8.393 1.00 0.00 N ATOM 0 H ASN A 21 -5.100 9.308 4.660 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.584 6.776 5.663 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.713 9.084 6.828 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.439 8.808 6.946 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.074 5.958 9.220 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.966 6.426 7.768 1.00 0.00 H new ATOM 315 N GLU A 22 -7.714 7.234 4.828 1.00 0.00 N ATOM 316 CA GLU A 22 -8.993 6.561 4.635 1.00 0.00 C ATOM 317 C GLU A 22 -8.841 5.361 3.704 1.00 0.00 C ATOM 318 O GLU A 22 -9.262 4.251 4.030 1.00 0.00 O ATOM 319 CB GLU A 22 -10.026 7.535 4.065 1.00 0.00 C ATOM 320 CG GLU A 22 -10.483 8.588 5.059 1.00 0.00 C ATOM 321 CD GLU A 22 -11.527 8.064 6.026 1.00 0.00 C ATOM 322 OE1 GLU A 22 -12.720 8.041 5.655 1.00 0.00 O ATOM 323 OE2 GLU A 22 -11.153 7.678 7.153 1.00 0.00 O ATOM 0 H GLU A 22 -7.667 8.172 4.431 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.337 6.205 5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.602 8.031 3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.893 6.971 3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.622 8.950 5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.891 9.441 4.517 1.00 0.00 H new ATOM 330 N VAL A 23 -8.236 5.593 2.543 1.00 0.00 N ATOM 331 CA VAL A 23 -8.027 4.532 1.565 1.00 0.00 C ATOM 332 C VAL A 23 -7.196 3.398 2.153 1.00 0.00 C ATOM 333 O VAL A 23 -7.375 2.233 1.796 1.00 0.00 O ATOM 334 CB VAL A 23 -7.327 5.065 0.301 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.728 3.920 -0.501 1.00 0.00 C ATOM 336 CG2 VAL A 23 -8.301 5.869 -0.548 1.00 0.00 C ATOM 0 H VAL A 23 -7.882 6.506 2.257 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.012 4.153 1.294 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.516 5.726 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.238 4.316 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.998 3.390 0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.519 3.232 -0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.790 6.238 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.134 5.233 -0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.677 6.713 0.031 1.00 0.00 H new ATOM 346 N TYR A 24 -6.287 3.745 3.057 1.00 0.00 N ATOM 347 CA TYR A 24 -5.425 2.756 3.694 1.00 0.00 C ATOM 348 C TYR A 24 -6.228 1.856 4.629 1.00 0.00 C ATOM 349 O TYR A 24 -5.995 0.650 4.697 1.00 0.00 O ATOM 350 CB TYR A 24 -4.306 3.450 4.472 1.00 0.00 C ATOM 351 CG TYR A 24 -3.449 2.499 5.278 1.00 0.00 C ATOM 352 CD1 TYR A 24 -2.375 1.838 4.695 1.00 0.00 C ATOM 353 CD2 TYR A 24 -3.715 2.261 6.620 1.00 0.00 C ATOM 354 CE1 TYR A 24 -1.590 0.968 5.427 1.00 0.00 C ATOM 355 CE2 TYR A 24 -2.934 1.394 7.360 1.00 0.00 C ATOM 356 CZ TYR A 24 -1.873 0.750 6.759 1.00 0.00 C ATOM 357 OH TYR A 24 -1.094 -0.116 7.492 1.00 0.00 O ATOM 0 H TYR A 24 -6.128 4.704 3.366 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.985 2.137 2.912 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.671 3.994 3.772 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.745 4.188 5.143 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.150 2.007 3.652 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.546 2.762 7.093 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -0.759 0.461 4.959 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.153 1.222 8.403 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.427 -0.156 8.413 1.00 0.00 H new ATOM 367 N GLU A 25 -7.174 2.453 5.346 1.00 0.00 N ATOM 368 CA GLU A 25 -8.012 1.706 6.277 1.00 0.00 C ATOM 369 C GLU A 25 -9.067 0.896 5.530 1.00 0.00 C ATOM 370 O GLU A 25 -9.369 -0.239 5.897 1.00 0.00 O ATOM 371 CB GLU A 25 -8.689 2.658 7.265 1.00 0.00 C ATOM 372 CG GLU A 25 -7.745 3.218 8.316 1.00 0.00 C ATOM 373 CD GLU A 25 -7.288 2.166 9.309 1.00 0.00 C ATOM 374 OE1 GLU A 25 -8.075 1.828 10.217 1.00 0.00 O ATOM 375 OE2 GLU A 25 -6.144 1.683 9.178 1.00 0.00 O ATOM 0 H GLU A 25 -7.380 3.451 5.300 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.373 1.016 6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.135 3.485 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.503 2.132 7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.874 3.650 7.823 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.242 4.027 8.852 1.00 0.00 H new ATOM 382 N ALA A 26 -9.625 1.489 4.479 1.00 0.00 N ATOM 383 CA ALA A 26 -10.645 0.822 3.679 1.00 0.00 C ATOM 384 C ALA A 26 -10.211 -0.589 3.300 1.00 0.00 C ATOM 385 O ALA A 26 -11.017 -1.519 3.300 1.00 0.00 O ATOM 386 CB ALA A 26 -10.951 1.636 2.430 1.00 0.00 C ATOM 0 H ALA A 26 -9.388 2.429 4.162 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.551 0.745 4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.714 1.127 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.314 2.623 2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.045 1.743 1.834 1.00 0.00 H new ATOM 392 N VAL A 27 -8.930 -0.742 2.976 1.00 0.00 N ATOM 393 CA VAL A 27 -8.388 -2.041 2.595 1.00 0.00 C ATOM 394 C VAL A 27 -8.114 -2.903 3.822 1.00 0.00 C ATOM 395 O VAL A 27 -8.355 -4.111 3.813 1.00 0.00 O ATOM 396 CB VAL A 27 -7.087 -1.890 1.785 1.00 0.00 C ATOM 397 CG1 VAL A 27 -6.510 -3.255 1.442 1.00 0.00 C ATOM 398 CG2 VAL A 27 -7.335 -1.075 0.526 1.00 0.00 C ATOM 0 H VAL A 27 -8.249 0.017 2.970 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.139 -2.528 1.973 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.358 -1.358 2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.591 -3.128 0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.293 -3.800 2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.232 -3.817 0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.405 -0.978 -0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.080 -1.577 -0.091 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.698 -0.084 0.800 1.00 0.00 H new ATOM 408 N LYS A 28 -7.608 -2.276 4.878 1.00 0.00 N ATOM 409 CA LYS A 28 -7.301 -2.984 6.115 1.00 0.00 C ATOM 410 C LYS A 28 -8.550 -3.648 6.686 1.00 0.00 C ATOM 411 O LYS A 28 -8.587 -4.863 6.876 1.00 0.00 O ATOM 412 CB LYS A 28 -6.707 -2.020 7.145 1.00 0.00 C ATOM 413 CG LYS A 28 -5.888 -2.710 8.222 1.00 0.00 C ATOM 414 CD LYS A 28 -5.340 -1.714 9.230 1.00 0.00 C ATOM 415 CE LYS A 28 -4.683 -2.417 10.408 1.00 0.00 C ATOM 416 NZ LYS A 28 -4.359 -1.469 11.509 1.00 0.00 N ATOM 0 H LYS A 28 -7.402 -1.277 4.902 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.570 -3.760 5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.077 -1.294 6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.516 -1.462 7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.507 -3.446 8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.063 -3.254 7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.614 -1.063 8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.148 -1.077 9.590 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.347 -3.195 10.783 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.771 -2.911 10.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.913 -1.987 12.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.705 -0.740 11.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.233 -1.017 11.846 1.00 0.00 H new ATOM 430 N ASN A 29 -9.572 -2.842 6.956 1.00 0.00 N ATOM 431 CA ASN A 29 -10.823 -3.352 7.504 1.00 0.00 C ATOM 432 C ASN A 29 -11.445 -4.386 6.570 1.00 0.00 C ATOM 433 O ASN A 29 -11.955 -5.414 7.016 1.00 0.00 O ATOM 434 CB ASN A 29 -11.807 -2.204 7.739 1.00 0.00 C ATOM 435 CG ASN A 29 -12.672 -1.926 6.525 1.00 0.00 C ATOM 436 OD1 ASN A 29 -12.134 -1.167 5.577 1.00 0.00 O flip ATOM 437 ND2 ASN A 29 -13.810 -2.388 6.441 1.00 0.00 N flip ATOM 0 H ASN A 29 -9.558 -1.833 6.804 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.603 -3.834 8.456 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.445 -2.445 8.589 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.253 -1.302 8.001 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -14.182 -2.966 7.194 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -14.380 -2.192 5.618 1.00 0.00 H new ATOM 444 N TYR A 30 -11.399 -4.106 5.273 1.00 0.00 N ATOM 445 CA TYR A 30 -11.959 -5.010 4.275 1.00 0.00 C ATOM 446 C TYR A 30 -11.746 -6.466 4.679 1.00 0.00 C ATOM 447 O TYR A 30 -10.613 -6.942 4.757 1.00 0.00 O ATOM 448 CB TYR A 30 -11.325 -4.750 2.908 1.00 0.00 C ATOM 449 CG TYR A 30 -12.138 -5.287 1.751 1.00 0.00 C ATOM 450 CD1 TYR A 30 -12.083 -6.631 1.402 1.00 0.00 C ATOM 451 CD2 TYR A 30 -12.962 -4.450 1.008 1.00 0.00 C ATOM 452 CE1 TYR A 30 -12.824 -7.125 0.346 1.00 0.00 C ATOM 453 CE2 TYR A 30 -13.707 -4.936 -0.049 1.00 0.00 C ATOM 454 CZ TYR A 30 -13.634 -6.274 -0.376 1.00 0.00 C ATOM 455 OH TYR A 30 -14.374 -6.762 -1.429 1.00 0.00 O ATOM 0 H TYR A 30 -10.980 -3.260 4.887 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.031 -4.822 4.212 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.189 -3.676 2.778 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.333 -5.202 2.885 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -11.450 -7.301 1.966 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -13.021 -3.402 1.261 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.769 -8.172 0.087 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -14.343 -4.272 -0.616 1.00 0.00 H new ATOM 0 HH TYR A 30 -14.891 -6.033 -1.831 1.00 0.00 H new ATOM 465 N THR A 31 -12.845 -7.169 4.934 1.00 0.00 N ATOM 466 CA THR A 31 -12.781 -8.571 5.330 1.00 0.00 C ATOM 467 C THR A 31 -13.289 -9.480 4.218 1.00 0.00 C ATOM 468 O THR A 31 -13.691 -9.010 3.153 1.00 0.00 O ATOM 469 CB THR A 31 -13.601 -8.832 6.607 1.00 0.00 C ATOM 470 OG1 THR A 31 -14.713 -7.931 6.667 1.00 0.00 O ATOM 471 CG2 THR A 31 -12.739 -8.664 7.849 1.00 0.00 C ATOM 0 H THR A 31 -13.790 -6.791 4.873 1.00 0.00 H new ATOM 0 HA THR A 31 -11.733 -8.796 5.528 1.00 0.00 H new ATOM 0 HB THR A 31 -13.966 -9.859 6.574 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.231 -8.104 7.481 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.341 -8.854 8.738 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.910 -9.371 7.815 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.348 -7.647 7.886 1.00 0.00 H new ATOM 479 N ASP A 32 -13.271 -10.784 4.471 1.00 0.00 N ATOM 480 CA ASP A 32 -13.732 -11.760 3.491 1.00 0.00 C ATOM 481 C ASP A 32 -15.189 -12.135 3.742 1.00 0.00 C ATOM 482 O ASP A 32 -15.809 -11.659 4.693 1.00 0.00 O ATOM 483 CB ASP A 32 -12.856 -13.013 3.535 1.00 0.00 C ATOM 484 CG ASP A 32 -11.623 -12.888 2.661 1.00 0.00 C ATOM 485 OD1 ASP A 32 -11.701 -13.255 1.470 1.00 0.00 O ATOM 486 OD2 ASP A 32 -10.580 -12.425 3.168 1.00 0.00 O ATOM 0 H ASP A 32 -12.942 -11.190 5.347 1.00 0.00 H new ATOM 0 HA ASP A 32 -13.656 -11.308 2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.551 -13.204 4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.441 -13.874 3.212 1.00 0.00 H new ATOM 491 N LYS A 33 -15.732 -12.991 2.882 1.00 0.00 N ATOM 492 CA LYS A 33 -17.116 -13.431 3.010 1.00 0.00 C ATOM 493 C LYS A 33 -17.386 -13.979 4.407 1.00 0.00 C ATOM 494 O LYS A 33 -18.539 -14.124 4.815 1.00 0.00 O ATOM 495 CB LYS A 33 -17.431 -14.500 1.961 1.00 0.00 C ATOM 496 CG LYS A 33 -17.948 -13.932 0.650 1.00 0.00 C ATOM 497 CD LYS A 33 -19.389 -13.468 0.773 1.00 0.00 C ATOM 498 CE LYS A 33 -20.098 -13.490 -0.573 1.00 0.00 C ATOM 499 NZ LYS A 33 -21.248 -12.544 -0.609 1.00 0.00 N ATOM 0 H LYS A 33 -15.234 -13.394 2.088 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.762 -12.568 2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.530 -15.082 1.765 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -18.173 -15.188 2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -17.321 -13.096 0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.874 -14.690 -0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -19.920 -14.110 1.476 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -19.414 -12.458 1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.390 -13.232 -1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -20.452 -14.500 -0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -21.705 -12.588 -1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -21.936 -12.806 0.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -20.907 -11.577 -0.436 1.00 0.00 H new ATOM 513 N ARG A 34 -16.317 -14.281 5.136 1.00 0.00 N ATOM 514 CA ARG A 34 -16.439 -14.813 6.488 1.00 0.00 C ATOM 515 C ARG A 34 -16.084 -13.750 7.525 1.00 0.00 C ATOM 516 O ARG A 34 -16.894 -13.415 8.388 1.00 0.00 O ATOM 517 CB ARG A 34 -15.535 -16.034 6.663 1.00 0.00 C ATOM 518 CG ARG A 34 -15.839 -17.161 5.690 1.00 0.00 C ATOM 519 CD ARG A 34 -16.878 -18.118 6.252 1.00 0.00 C ATOM 520 NE ARG A 34 -16.339 -18.937 7.335 1.00 0.00 N ATOM 521 CZ ARG A 34 -17.012 -19.925 7.914 1.00 0.00 C ATOM 522 NH1 ARG A 34 -18.243 -20.215 7.516 1.00 0.00 N ATOM 523 NH2 ARG A 34 -16.453 -20.625 8.893 1.00 0.00 N ATOM 0 H ARG A 34 -15.356 -14.166 4.813 1.00 0.00 H new ATOM 0 HA ARG A 34 -17.476 -15.113 6.641 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -14.496 -15.728 6.538 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.637 -16.408 7.682 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.198 -16.744 4.749 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -14.923 -17.707 5.467 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.733 -17.550 6.618 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.243 -18.766 5.455 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.394 -18.739 7.665 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.675 -19.679 6.764 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.758 -20.974 7.962 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.506 -20.404 9.201 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.970 -21.384 9.337 1.00 0.00 H new ATOM 537 N GLY A 35 -14.866 -13.225 7.432 1.00 0.00 N ATOM 538 CA GLY A 35 -14.424 -12.207 8.368 1.00 0.00 C ATOM 539 C GLY A 35 -12.935 -12.278 8.642 1.00 0.00 C ATOM 540 O GLY A 35 -12.494 -12.069 9.772 1.00 0.00 O ATOM 0 H GLY A 35 -14.178 -13.486 6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -14.671 -11.222 7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -14.968 -12.319 9.306 1.00 0.00 H new ATOM 544 N ARG A 36 -12.158 -12.577 7.606 1.00 0.00 N ATOM 545 CA ARG A 36 -10.710 -12.679 7.741 1.00 0.00 C ATOM 546 C ARG A 36 -10.014 -11.538 7.005 1.00 0.00 C ATOM 547 O ARG A 36 -10.110 -11.424 5.783 1.00 0.00 O ATOM 548 CB ARG A 36 -10.219 -14.023 7.200 1.00 0.00 C ATOM 549 CG ARG A 36 -8.748 -14.288 7.473 1.00 0.00 C ATOM 550 CD ARG A 36 -8.336 -15.676 7.007 1.00 0.00 C ATOM 551 NE ARG A 36 -6.916 -15.741 6.670 1.00 0.00 N ATOM 552 CZ ARG A 36 -6.230 -16.876 6.598 1.00 0.00 C ATOM 553 NH1 ARG A 36 -6.829 -18.034 6.839 1.00 0.00 N ATOM 554 NH2 ARG A 36 -4.940 -16.854 6.285 1.00 0.00 N ATOM 0 H ARG A 36 -12.507 -12.753 6.664 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.463 -12.610 8.800 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.812 -14.822 7.644 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.392 -14.057 6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.142 -13.538 6.965 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.551 -14.188 8.540 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.556 -16.402 7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.929 -15.957 6.136 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.425 -14.868 6.480 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.820 -18.055 7.081 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.299 -18.904 6.783 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.475 -15.965 6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.414 -17.726 6.230 1.00 0.00 H new ATOM 568 N ARG A 37 -9.314 -10.695 7.758 1.00 0.00 N ATOM 569 CA ARG A 37 -8.604 -9.562 7.178 1.00 0.00 C ATOM 570 C ARG A 37 -7.505 -10.036 6.231 1.00 0.00 C ATOM 571 O ARG A 37 -6.574 -10.730 6.641 1.00 0.00 O ATOM 572 CB ARG A 37 -8.000 -8.692 8.282 1.00 0.00 C ATOM 573 CG ARG A 37 -8.973 -7.675 8.856 1.00 0.00 C ATOM 574 CD ARG A 37 -10.057 -8.348 9.684 1.00 0.00 C ATOM 575 NE ARG A 37 -9.647 -8.538 11.072 1.00 0.00 N ATOM 576 CZ ARG A 37 -10.319 -9.286 11.941 1.00 0.00 C ATOM 577 NH1 ARG A 37 -11.427 -9.911 11.565 1.00 0.00 N ATOM 578 NH2 ARG A 37 -9.883 -9.411 13.188 1.00 0.00 N ATOM 0 H ARG A 37 -9.224 -10.776 8.771 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.320 -8.970 6.609 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.644 -9.336 9.086 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.131 -8.167 7.885 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.431 -6.961 9.476 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.431 -7.110 8.044 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.964 -7.744 9.653 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.302 -9.314 9.243 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.799 -8.071 11.392 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.765 -9.818 10.607 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.941 -10.485 12.234 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.031 -8.933 13.481 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.400 -9.985 13.854 1.00 0.00 H new ATOM 592 N LEU A 38 -7.620 -9.657 4.963 1.00 0.00 N ATOM 593 CA LEU A 38 -6.637 -10.044 3.957 1.00 0.00 C ATOM 594 C LEU A 38 -5.307 -9.335 4.194 1.00 0.00 C ATOM 595 O LEU A 38 -4.244 -9.866 3.875 1.00 0.00 O ATOM 596 CB LEU A 38 -7.158 -9.720 2.556 1.00 0.00 C ATOM 597 CG LEU A 38 -8.452 -10.422 2.142 1.00 0.00 C ATOM 598 CD1 LEU A 38 -9.644 -9.810 2.860 1.00 0.00 C ATOM 599 CD2 LEU A 38 -8.640 -10.349 0.634 1.00 0.00 C ATOM 0 H LEU A 38 -8.384 -9.082 4.607 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.474 -11.119 4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.315 -8.643 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.383 -9.975 1.834 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.381 -11.471 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.556 -10.322 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.514 -9.916 3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.718 -8.753 2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.566 -10.854 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.689 -9.305 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.800 -10.836 0.139 1.00 0.00 H new ATOM 611 N SER A 39 -5.376 -8.132 4.756 1.00 0.00 N ATOM 612 CA SER A 39 -4.178 -7.349 5.035 1.00 0.00 C ATOM 613 C SER A 39 -3.467 -7.868 6.282 1.00 0.00 C ATOM 614 O SER A 39 -2.330 -7.492 6.562 1.00 0.00 O ATOM 615 CB SER A 39 -4.538 -5.874 5.217 1.00 0.00 C ATOM 616 OG SER A 39 -5.354 -5.685 6.359 1.00 0.00 O ATOM 0 H SER A 39 -6.249 -7.679 5.027 1.00 0.00 H new ATOM 0 HA SER A 39 -3.503 -7.449 4.185 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.627 -5.284 5.316 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.058 -5.511 4.330 1.00 0.00 H new ATOM 0 HG SER A 39 -4.804 -5.367 7.105 1.00 0.00 H new ATOM 622 N ALA A 40 -4.148 -8.734 7.026 1.00 0.00 N ATOM 623 CA ALA A 40 -3.583 -9.306 8.241 1.00 0.00 C ATOM 624 C ALA A 40 -2.318 -10.102 7.936 1.00 0.00 C ATOM 625 O ALA A 40 -1.364 -10.090 8.715 1.00 0.00 O ATOM 626 CB ALA A 40 -4.609 -10.189 8.935 1.00 0.00 C ATOM 0 H ALA A 40 -5.092 -9.054 6.808 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.314 -8.487 8.908 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.173 -10.610 9.841 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.484 -9.594 9.196 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.906 -10.997 8.266 1.00 0.00 H new ATOM 632 N ILE A 41 -2.317 -10.792 6.801 1.00 0.00 N ATOM 633 CA ILE A 41 -1.169 -11.592 6.394 1.00 0.00 C ATOM 634 C ILE A 41 -0.173 -10.758 5.596 1.00 0.00 C ATOM 635 O ILE A 41 0.766 -11.292 5.004 1.00 0.00 O ATOM 636 CB ILE A 41 -1.599 -12.806 5.549 1.00 0.00 C ATOM 637 CG1 ILE A 41 -0.414 -13.747 5.328 1.00 0.00 C ATOM 638 CG2 ILE A 41 -2.174 -12.346 4.217 1.00 0.00 C ATOM 639 CD1 ILE A 41 -0.816 -15.194 5.149 1.00 0.00 C ATOM 0 H ILE A 41 -3.099 -10.813 6.146 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.692 -11.947 7.308 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.374 -13.350 6.089 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.139 -13.421 4.447 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.264 -13.669 6.178 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.474 -13.215 3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.042 -11.712 4.395 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.419 -11.782 3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.075 -15.803 4.997 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.343 -15.538 6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.470 -15.285 4.282 1.00 0.00 H new ATOM 651 N PHE A 42 -0.383 -9.446 5.584 1.00 0.00 N ATOM 652 CA PHE A 42 0.497 -8.537 4.859 1.00 0.00 C ATOM 653 C PHE A 42 0.872 -7.338 5.724 1.00 0.00 C ATOM 654 O PHE A 42 1.462 -6.370 5.242 1.00 0.00 O ATOM 655 CB PHE A 42 -0.177 -8.060 3.571 1.00 0.00 C ATOM 656 CG PHE A 42 -0.134 -9.072 2.462 1.00 0.00 C ATOM 657 CD1 PHE A 42 1.077 -9.564 2.001 1.00 0.00 C ATOM 658 CD2 PHE A 42 -1.304 -9.532 1.880 1.00 0.00 C ATOM 659 CE1 PHE A 42 1.119 -10.495 0.980 1.00 0.00 C ATOM 660 CE2 PHE A 42 -1.268 -10.463 0.859 1.00 0.00 C ATOM 661 CZ PHE A 42 -0.055 -10.946 0.409 1.00 0.00 C ATOM 0 H PHE A 42 -1.155 -8.988 6.068 1.00 0.00 H new ATOM 0 HA PHE A 42 1.408 -9.079 4.605 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.216 -7.811 3.785 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.308 -7.143 3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.998 -9.216 2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.256 -9.159 2.228 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.069 -10.869 0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.188 -10.812 0.414 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.024 -11.675 -0.388 1.00 0.00 H new ATOM 671 N LEU A 43 0.526 -7.408 7.005 1.00 0.00 N ATOM 672 CA LEU A 43 0.825 -6.328 7.939 1.00 0.00 C ATOM 673 C LEU A 43 2.331 -6.183 8.139 1.00 0.00 C ATOM 674 O LEU A 43 2.918 -5.162 7.782 1.00 0.00 O ATOM 675 CB LEU A 43 0.144 -6.587 9.283 1.00 0.00 C ATOM 676 CG LEU A 43 -1.302 -6.103 9.407 1.00 0.00 C ATOM 677 CD1 LEU A 43 -1.998 -6.794 10.569 1.00 0.00 C ATOM 678 CD2 LEU A 43 -1.345 -4.592 9.579 1.00 0.00 C ATOM 0 H LEU A 43 0.038 -8.201 7.421 1.00 0.00 H new ATOM 0 HA LEU A 43 0.441 -5.399 7.517 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.165 -7.659 9.478 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.734 -6.109 10.065 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.831 -6.359 8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.025 -6.437 10.642 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.999 -7.871 10.404 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.469 -6.569 11.495 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.381 -4.265 9.666 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.800 -4.313 10.481 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.885 -4.114 8.714 1.00 0.00 H new ATOM 690 N ARG A 44 2.949 -7.212 8.710 1.00 0.00 N ATOM 691 CA ARG A 44 4.386 -7.199 8.956 1.00 0.00 C ATOM 692 C ARG A 44 5.102 -8.195 8.048 1.00 0.00 C ATOM 693 O ARG A 44 4.483 -9.107 7.499 1.00 0.00 O ATOM 694 CB ARG A 44 4.676 -7.528 10.421 1.00 0.00 C ATOM 695 CG ARG A 44 5.956 -6.897 10.945 1.00 0.00 C ATOM 696 CD ARG A 44 6.126 -7.138 12.437 1.00 0.00 C ATOM 697 NE ARG A 44 6.683 -8.458 12.718 1.00 0.00 N ATOM 698 CZ ARG A 44 5.950 -9.561 12.808 1.00 0.00 C ATOM 699 NH1 ARG A 44 4.636 -9.503 12.639 1.00 0.00 N ATOM 700 NH2 ARG A 44 6.530 -10.726 13.068 1.00 0.00 N ATOM 0 H ARG A 44 2.477 -8.065 9.011 1.00 0.00 H new ATOM 0 HA ARG A 44 4.759 -6.199 8.734 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.839 -7.192 11.033 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.741 -8.610 10.536 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.811 -7.308 10.409 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.942 -5.825 10.748 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.779 -6.372 12.856 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.160 -7.039 12.933 1.00 0.00 H new ATOM 0 HE ARG A 44 7.691 -8.537 12.853 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.186 -8.609 12.439 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.075 -10.352 12.709 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.540 -10.775 13.199 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.965 -11.573 13.137 1.00 0.00 H new ATOM 714 N LEU A 45 6.408 -8.013 7.894 1.00 0.00 N ATOM 715 CA LEU A 45 7.210 -8.895 7.052 1.00 0.00 C ATOM 716 C LEU A 45 8.103 -9.793 7.901 1.00 0.00 C ATOM 717 O LEU A 45 8.452 -9.469 9.036 1.00 0.00 O ATOM 718 CB LEU A 45 8.064 -8.072 6.086 1.00 0.00 C ATOM 719 CG LEU A 45 8.818 -6.890 6.697 1.00 0.00 C ATOM 720 CD1 LEU A 45 9.756 -7.365 7.795 1.00 0.00 C ATOM 721 CD2 LEU A 45 9.590 -6.138 5.623 1.00 0.00 C ATOM 0 H LEU A 45 6.935 -7.263 8.341 1.00 0.00 H new ATOM 0 HA LEU A 45 6.531 -9.527 6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.789 -8.737 5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.418 -7.695 5.293 1.00 0.00 H new ATOM 0 HG LEU A 45 8.090 -6.209 7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.284 -6.510 8.218 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.180 -7.859 8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.478 -8.067 7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.121 -5.300 6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.307 -6.810 5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.896 -5.764 4.870 1.00 0.00 H new ATOM 733 N PRO A 46 8.485 -10.950 7.338 1.00 0.00 N ATOM 734 CA PRO A 46 9.345 -11.918 8.025 1.00 0.00 C ATOM 735 C PRO A 46 10.775 -11.411 8.186 1.00 0.00 C ATOM 736 O PRO A 46 11.456 -11.124 7.202 1.00 0.00 O ATOM 737 CB PRO A 46 9.312 -13.139 7.102 1.00 0.00 C ATOM 738 CG PRO A 46 9.001 -12.587 5.754 1.00 0.00 C ATOM 739 CD PRO A 46 8.107 -11.401 5.989 1.00 0.00 C ATOM 0 HA PRO A 46 9.000 -12.123 9.038 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.268 -13.663 7.104 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.555 -13.856 7.421 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.912 -12.292 5.233 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.505 -13.332 5.132 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.270 -10.622 5.245 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.053 -11.676 5.938 1.00 0.00 H new ATOM 747 N SER A 47 11.222 -11.304 9.433 1.00 0.00 N ATOM 748 CA SER A 47 12.570 -10.829 9.723 1.00 0.00 C ATOM 749 C SER A 47 13.616 -11.733 9.076 1.00 0.00 C ATOM 750 O SER A 47 13.297 -12.813 8.580 1.00 0.00 O ATOM 751 CB SER A 47 12.798 -10.767 11.234 1.00 0.00 C ATOM 752 OG SER A 47 12.085 -9.687 11.813 1.00 0.00 O ATOM 0 H SER A 47 10.671 -11.540 10.258 1.00 0.00 H new ATOM 0 HA SER A 47 12.673 -9.827 9.306 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.480 -11.704 11.692 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.863 -10.656 11.440 1.00 0.00 H new ATOM 0 HG SER A 47 12.246 -9.670 12.780 1.00 0.00 H new ATOM 758 N ARG A 48 14.866 -11.282 9.086 1.00 0.00 N ATOM 759 CA ARG A 48 15.959 -12.048 8.500 1.00 0.00 C ATOM 760 C ARG A 48 16.164 -13.362 9.248 1.00 0.00 C ATOM 761 O ARG A 48 16.319 -14.419 8.636 1.00 0.00 O ATOM 762 CB ARG A 48 17.252 -11.230 8.521 1.00 0.00 C ATOM 763 CG ARG A 48 17.687 -10.814 9.916 1.00 0.00 C ATOM 764 CD ARG A 48 18.967 -9.993 9.879 1.00 0.00 C ATOM 765 NE ARG A 48 19.477 -9.713 11.219 1.00 0.00 N ATOM 766 CZ ARG A 48 20.736 -9.373 11.469 1.00 0.00 C ATOM 767 NH1 ARG A 48 21.609 -9.270 10.477 1.00 0.00 N ATOM 768 NH2 ARG A 48 21.124 -9.134 12.715 1.00 0.00 N ATOM 0 H ARG A 48 15.147 -10.390 9.493 1.00 0.00 H new ATOM 0 HA ARG A 48 15.697 -12.275 7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 48 18.049 -11.814 8.060 1.00 0.00 H new ATOM 0 HB3 ARG A 48 17.117 -10.337 7.910 1.00 0.00 H new ATOM 0 HG2 ARG A 48 16.894 -10.233 10.387 1.00 0.00 H new ATOM 0 HG3 ARG A 48 17.840 -11.701 10.530 1.00 0.00 H new ATOM 0 HD2 ARG A 48 19.725 -10.529 9.307 1.00 0.00 H new ATOM 0 HD3 ARG A 48 18.780 -9.054 9.359 1.00 0.00 H new ATOM 0 HE ARG A 48 18.831 -9.782 12.005 1.00 0.00 H new ATOM 0 HH11 ARG A 48 21.315 -9.452 9.518 1.00 0.00 H new ATOM 0 HH12 ARG A 48 22.575 -9.009 10.673 1.00 0.00 H new ATOM 0 HH21 ARG A 48 20.455 -9.211 13.481 1.00 0.00 H new ATOM 0 HH22 ARG A 48 22.091 -8.873 12.907 1.00 0.00 H new ATOM 782 N SER A 49 16.165 -13.288 10.575 1.00 0.00 N ATOM 783 CA SER A 49 16.355 -14.470 11.407 1.00 0.00 C ATOM 784 C SER A 49 15.370 -15.569 11.022 1.00 0.00 C ATOM 785 O SER A 49 15.765 -16.698 10.733 1.00 0.00 O ATOM 786 CB SER A 49 16.187 -14.113 12.885 1.00 0.00 C ATOM 787 OG SER A 49 17.219 -13.245 13.321 1.00 0.00 O ATOM 0 H SER A 49 16.036 -12.421 11.097 1.00 0.00 H new ATOM 0 HA SER A 49 17.367 -14.840 11.244 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.218 -13.638 13.040 1.00 0.00 H new ATOM 0 HB3 SER A 49 16.195 -15.023 13.485 1.00 0.00 H new ATOM 0 HG SER A 49 17.088 -13.031 14.268 1.00 0.00 H new ATOM 793 N GLU A 50 14.085 -15.230 11.022 1.00 0.00 N ATOM 794 CA GLU A 50 13.042 -16.188 10.674 1.00 0.00 C ATOM 795 C GLU A 50 13.209 -16.676 9.238 1.00 0.00 C ATOM 796 O GLU A 50 13.242 -17.879 8.979 1.00 0.00 O ATOM 797 CB GLU A 50 11.659 -15.558 10.853 1.00 0.00 C ATOM 798 CG GLU A 50 11.279 -15.327 12.306 1.00 0.00 C ATOM 799 CD GLU A 50 10.898 -16.609 13.020 1.00 0.00 C ATOM 800 OE1 GLU A 50 11.746 -17.522 13.096 1.00 0.00 O ATOM 801 OE2 GLU A 50 9.750 -16.699 13.504 1.00 0.00 O ATOM 0 H GLU A 50 13.741 -14.299 11.259 1.00 0.00 H new ATOM 0 HA GLU A 50 13.132 -17.044 11.343 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.631 -14.606 10.323 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.913 -16.203 10.389 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.115 -14.860 12.827 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.444 -14.628 12.353 1.00 0.00 H new ATOM 808 N LEU A 51 13.313 -15.733 8.308 1.00 0.00 N ATOM 809 CA LEU A 51 13.476 -16.065 6.897 1.00 0.00 C ATOM 810 C LEU A 51 14.627 -15.276 6.281 1.00 0.00 C ATOM 811 O LEU A 51 14.432 -14.241 5.643 1.00 0.00 O ATOM 812 CB LEU A 51 12.182 -15.781 6.133 1.00 0.00 C ATOM 813 CG LEU A 51 11.187 -16.939 6.043 1.00 0.00 C ATOM 814 CD1 LEU A 51 10.587 -17.234 7.409 1.00 0.00 C ATOM 815 CD2 LEU A 51 10.092 -16.624 5.035 1.00 0.00 C ATOM 0 H LEU A 51 13.287 -14.733 8.506 1.00 0.00 H new ATOM 0 HA LEU A 51 13.708 -17.127 6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.683 -14.935 6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.442 -15.472 5.120 1.00 0.00 H new ATOM 0 HG LEU A 51 11.721 -17.826 5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.881 -18.061 7.326 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.381 -17.504 8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.067 -16.349 7.777 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.393 -17.459 4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.560 -15.724 5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.537 -16.463 4.053 1.00 0.00 H new ATOM 827 N PRO A 52 15.857 -15.775 6.474 1.00 0.00 N ATOM 828 CA PRO A 52 17.064 -15.134 5.943 1.00 0.00 C ATOM 829 C PRO A 52 17.154 -15.236 4.424 1.00 0.00 C ATOM 830 O PRO A 52 18.040 -14.648 3.804 1.00 0.00 O ATOM 831 CB PRO A 52 18.201 -15.920 6.600 1.00 0.00 C ATOM 832 CG PRO A 52 17.613 -17.254 6.906 1.00 0.00 C ATOM 833 CD PRO A 52 16.164 -17.004 7.224 1.00 0.00 C ATOM 0 HA PRO A 52 17.086 -14.066 6.158 1.00 0.00 H new ATOM 0 HB2 PRO A 52 19.058 -16.009 5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 52 18.552 -15.425 7.505 1.00 0.00 H new ATOM 0 HG2 PRO A 52 17.715 -17.930 6.057 1.00 0.00 H new ATOM 0 HG3 PRO A 52 18.123 -17.721 7.749 1.00 0.00 H new ATOM 0 HD2 PRO A 52 15.534 -17.835 6.908 1.00 0.00 H new ATOM 0 HD3 PRO A 52 16.004 -16.872 8.294 1.00 0.00 H new ATOM 841 N ASP A 53 16.231 -15.985 3.830 1.00 0.00 N ATOM 842 CA ASP A 53 16.206 -16.162 2.383 1.00 0.00 C ATOM 843 C ASP A 53 15.235 -15.182 1.732 1.00 0.00 C ATOM 844 O ASP A 53 15.485 -14.681 0.636 1.00 0.00 O ATOM 845 CB ASP A 53 15.813 -17.598 2.031 1.00 0.00 C ATOM 846 CG ASP A 53 14.756 -18.155 2.964 1.00 0.00 C ATOM 847 OD1 ASP A 53 15.069 -18.367 4.155 1.00 0.00 O ATOM 848 OD2 ASP A 53 13.617 -18.378 2.505 1.00 0.00 O ATOM 0 H ASP A 53 15.491 -16.479 4.328 1.00 0.00 H new ATOM 0 HA ASP A 53 17.207 -15.962 2.000 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.442 -17.629 1.007 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.698 -18.233 2.069 1.00 0.00 H new ATOM 853 N TYR A 54 14.127 -14.913 2.415 1.00 0.00 N ATOM 854 CA TYR A 54 13.117 -13.996 1.902 1.00 0.00 C ATOM 855 C TYR A 54 13.756 -12.696 1.421 1.00 0.00 C ATOM 856 O TYR A 54 13.403 -12.172 0.364 1.00 0.00 O ATOM 857 CB TYR A 54 12.075 -13.696 2.980 1.00 0.00 C ATOM 858 CG TYR A 54 11.318 -12.408 2.750 1.00 0.00 C ATOM 859 CD1 TYR A 54 10.178 -12.381 1.956 1.00 0.00 C ATOM 860 CD2 TYR A 54 11.743 -11.217 3.327 1.00 0.00 C ATOM 861 CE1 TYR A 54 9.484 -11.206 1.743 1.00 0.00 C ATOM 862 CE2 TYR A 54 11.054 -10.037 3.120 1.00 0.00 C ATOM 863 CZ TYR A 54 9.925 -10.037 2.326 1.00 0.00 C ATOM 864 OH TYR A 54 9.236 -8.865 2.117 1.00 0.00 O ATOM 0 H TYR A 54 13.906 -15.317 3.325 1.00 0.00 H new ATOM 0 HA TYR A 54 12.626 -14.474 1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.365 -14.522 3.026 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.571 -13.648 3.949 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.829 -13.294 1.498 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.627 -11.214 3.948 1.00 0.00 H new ATOM 0 HE1 TYR A 54 8.600 -11.203 1.123 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.397 -9.120 3.577 1.00 0.00 H new ATOM 0 HH TYR A 54 9.336 -8.283 2.899 1.00 0.00 H new ATOM 874 N TYR A 55 14.697 -12.182 2.204 1.00 0.00 N ATOM 875 CA TYR A 55 15.385 -10.943 1.860 1.00 0.00 C ATOM 876 C TYR A 55 16.217 -11.115 0.593 1.00 0.00 C ATOM 877 O TYR A 55 16.163 -10.286 -0.316 1.00 0.00 O ATOM 878 CB TYR A 55 16.283 -10.496 3.016 1.00 0.00 C ATOM 879 CG TYR A 55 15.548 -9.726 4.090 1.00 0.00 C ATOM 880 CD1 TYR A 55 14.810 -8.592 3.776 1.00 0.00 C ATOM 881 CD2 TYR A 55 15.593 -10.132 5.418 1.00 0.00 C ATOM 882 CE1 TYR A 55 14.138 -7.884 4.754 1.00 0.00 C ATOM 883 CE2 TYR A 55 14.923 -9.432 6.402 1.00 0.00 C ATOM 884 CZ TYR A 55 14.197 -8.308 6.065 1.00 0.00 C ATOM 885 OH TYR A 55 13.529 -7.607 7.043 1.00 0.00 O ATOM 0 H TYR A 55 15.001 -12.604 3.081 1.00 0.00 H new ATOM 0 HA TYR A 55 14.631 -10.178 1.677 1.00 0.00 H new ATOM 0 HB2 TYR A 55 16.748 -11.374 3.464 1.00 0.00 H new ATOM 0 HB3 TYR A 55 17.087 -9.875 2.621 1.00 0.00 H new ATOM 0 HD1 TYR A 55 14.761 -8.258 2.750 1.00 0.00 H new ATOM 0 HD2 TYR A 55 16.162 -11.010 5.685 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.570 -7.003 4.493 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.967 -9.762 7.429 1.00 0.00 H new ATOM 0 HH TYR A 55 13.673 -8.039 7.911 1.00 0.00 H new ATOM 895 N LEU A 56 16.985 -12.198 0.540 1.00 0.00 N ATOM 896 CA LEU A 56 17.828 -12.481 -0.616 1.00 0.00 C ATOM 897 C LEU A 56 16.982 -12.735 -1.859 1.00 0.00 C ATOM 898 O LEU A 56 17.013 -11.959 -2.815 1.00 0.00 O ATOM 899 CB LEU A 56 18.720 -13.692 -0.337 1.00 0.00 C ATOM 900 CG LEU A 56 19.817 -13.491 0.709 1.00 0.00 C ATOM 901 CD1 LEU A 56 20.292 -14.831 1.250 1.00 0.00 C ATOM 902 CD2 LEU A 56 20.982 -12.710 0.118 1.00 0.00 C ATOM 0 H LEU A 56 17.041 -12.894 1.284 1.00 0.00 H new ATOM 0 HA LEU A 56 18.456 -11.609 -0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 56 18.086 -14.518 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 56 19.189 -13.996 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 56 19.401 -12.915 1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 56 21.073 -14.667 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 56 19.455 -15.354 1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 56 20.689 -15.433 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.753 -12.577 0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 56 21.396 -13.259 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.632 -11.734 -0.219 1.00 0.00 H new ATOM 914 N THR A 57 16.222 -13.826 -1.839 1.00 0.00 N ATOM 915 CA THR A 57 15.366 -14.182 -2.963 1.00 0.00 C ATOM 916 C THR A 57 14.608 -12.966 -3.484 1.00 0.00 C ATOM 917 O THR A 57 14.645 -12.664 -4.677 1.00 0.00 O ATOM 918 CB THR A 57 14.354 -15.276 -2.574 1.00 0.00 C ATOM 919 OG1 THR A 57 15.043 -16.490 -2.256 1.00 0.00 O ATOM 920 CG2 THR A 57 13.368 -15.528 -3.705 1.00 0.00 C ATOM 0 H THR A 57 16.182 -14.478 -1.056 1.00 0.00 H new ATOM 0 HA THR A 57 16.018 -14.564 -3.748 1.00 0.00 H new ATOM 0 HB THR A 57 13.800 -14.933 -1.700 1.00 0.00 H new ATOM 0 HG1 THR A 57 14.393 -17.180 -2.008 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.663 -16.304 -3.407 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.824 -14.609 -3.925 1.00 0.00 H new ATOM 0 HG23 THR A 57 13.909 -15.851 -4.594 1.00 0.00 H new ATOM 928 N ILE A 58 13.922 -12.272 -2.582 1.00 0.00 N ATOM 929 CA ILE A 58 13.156 -11.088 -2.951 1.00 0.00 C ATOM 930 C ILE A 58 14.078 -9.932 -3.324 1.00 0.00 C ATOM 931 O ILE A 58 15.187 -9.814 -2.802 1.00 0.00 O ATOM 932 CB ILE A 58 12.227 -10.639 -1.808 1.00 0.00 C ATOM 933 CG1 ILE A 58 11.232 -11.750 -1.465 1.00 0.00 C ATOM 934 CG2 ILE A 58 11.492 -9.364 -2.192 1.00 0.00 C ATOM 935 CD1 ILE A 58 10.392 -12.194 -2.642 1.00 0.00 C ATOM 0 H ILE A 58 13.881 -12.509 -1.591 1.00 0.00 H new ATOM 0 HA ILE A 58 12.550 -11.361 -3.815 1.00 0.00 H new ATOM 0 HB ILE A 58 12.834 -10.434 -0.926 1.00 0.00 H new ATOM 0 HG12 ILE A 58 11.779 -12.608 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 58 10.573 -11.403 -0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.839 -9.060 -1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 58 12.215 -8.574 -2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.894 -9.544 -3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.710 -12.983 -2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.818 -11.348 -3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.042 -12.572 -3.431 1.00 0.00 H new ATOM 947 N LYS A 59 13.612 -9.079 -4.231 1.00 0.00 N ATOM 948 CA LYS A 59 14.392 -7.930 -4.673 1.00 0.00 C ATOM 949 C LYS A 59 14.184 -6.740 -3.741 1.00 0.00 C ATOM 950 O LYS A 59 15.145 -6.140 -3.259 1.00 0.00 O ATOM 951 CB LYS A 59 14.006 -7.545 -6.103 1.00 0.00 C ATOM 952 CG LYS A 59 14.295 -8.632 -7.124 1.00 0.00 C ATOM 953 CD LYS A 59 15.772 -8.692 -7.472 1.00 0.00 C ATOM 954 CE LYS A 59 16.148 -10.035 -8.079 1.00 0.00 C ATOM 955 NZ LYS A 59 15.557 -10.216 -9.434 1.00 0.00 N ATOM 0 H LYS A 59 12.697 -9.163 -4.674 1.00 0.00 H new ATOM 0 HA LYS A 59 15.446 -8.207 -4.650 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.943 -7.305 -6.131 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.545 -6.641 -6.385 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.974 -9.596 -6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.715 -8.447 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.014 -7.894 -8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.366 -8.518 -6.574 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.233 -10.114 -8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.808 -10.837 -7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.836 -11.143 -9.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.520 -10.166 -9.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.901 -9.465 -10.066 1.00 0.00 H new ATOM 969 N LYS A 60 12.923 -6.404 -3.491 1.00 0.00 N ATOM 970 CA LYS A 60 12.587 -5.288 -2.615 1.00 0.00 C ATOM 971 C LYS A 60 11.345 -5.600 -1.787 1.00 0.00 C ATOM 972 O LYS A 60 10.218 -5.579 -2.283 1.00 0.00 O ATOM 973 CB LYS A 60 12.359 -4.018 -3.437 1.00 0.00 C ATOM 974 CG LYS A 60 11.181 -4.114 -4.391 1.00 0.00 C ATOM 975 CD LYS A 60 11.252 -3.050 -5.474 1.00 0.00 C ATOM 976 CE LYS A 60 10.247 -3.317 -6.584 1.00 0.00 C ATOM 977 NZ LYS A 60 10.674 -4.443 -7.460 1.00 0.00 N ATOM 0 H LYS A 60 12.116 -6.889 -3.883 1.00 0.00 H new ATOM 0 HA LYS A 60 13.424 -5.128 -1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.199 -3.180 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.261 -3.798 -4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.164 -5.102 -4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.251 -4.006 -3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.061 -2.070 -5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.258 -3.021 -5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.275 -3.546 -6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.122 -2.416 -7.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.047 -4.496 -8.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.652 -4.285 -7.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.622 -5.335 -6.929 1.00 0.00 H new ATOM 991 N PRO A 61 11.552 -5.896 -0.495 1.00 0.00 N ATOM 992 CA PRO A 61 10.460 -6.216 0.428 1.00 0.00 C ATOM 993 C PRO A 61 9.593 -5.002 0.744 1.00 0.00 C ATOM 994 O PRO A 61 10.104 -3.924 1.045 1.00 0.00 O ATOM 995 CB PRO A 61 11.188 -6.694 1.687 1.00 0.00 C ATOM 996 CG PRO A 61 12.524 -6.038 1.624 1.00 0.00 C ATOM 997 CD PRO A 61 12.868 -5.940 0.163 1.00 0.00 C ATOM 0 HA PRO A 61 9.775 -6.953 0.008 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.648 -6.407 2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.280 -7.780 1.703 1.00 0.00 H new ATOM 0 HG2 PRO A 61 12.496 -5.051 2.086 1.00 0.00 H new ATOM 0 HG3 PRO A 61 13.271 -6.621 2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 61 13.455 -5.047 -0.053 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.455 -6.796 -0.170 1.00 0.00 H new ATOM 1005 N MET A 62 8.278 -5.185 0.673 1.00 0.00 N ATOM 1006 CA MET A 62 7.340 -4.104 0.953 1.00 0.00 C ATOM 1007 C MET A 62 6.175 -4.601 1.803 1.00 0.00 C ATOM 1008 O MET A 62 5.390 -5.442 1.365 1.00 0.00 O ATOM 1009 CB MET A 62 6.815 -3.504 -0.353 1.00 0.00 C ATOM 1010 CG MET A 62 5.615 -2.591 -0.163 1.00 0.00 C ATOM 1011 SD MET A 62 5.907 -1.306 1.068 1.00 0.00 S ATOM 1012 CE MET A 62 6.884 -0.144 0.118 1.00 0.00 C ATOM 0 H MET A 62 7.838 -6.071 0.424 1.00 0.00 H new ATOM 0 HA MET A 62 7.870 -3.332 1.511 1.00 0.00 H new ATOM 0 HB2 MET A 62 7.616 -2.942 -0.833 1.00 0.00 H new ATOM 0 HB3 MET A 62 6.542 -4.313 -1.031 1.00 0.00 H new ATOM 0 HG2 MET A 62 5.363 -2.125 -1.116 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.754 -3.188 0.138 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.039 0.763 0.702 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.849 -0.591 -0.122 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.359 0.103 -0.805 1.00 0.00 H new ATOM 1022 N ASP A 63 6.070 -4.077 3.019 1.00 0.00 N ATOM 1023 CA ASP A 63 5.000 -4.467 3.929 1.00 0.00 C ATOM 1024 C ASP A 63 4.130 -3.268 4.293 1.00 0.00 C ATOM 1025 O ASP A 63 4.570 -2.121 4.206 1.00 0.00 O ATOM 1026 CB ASP A 63 5.583 -5.093 5.197 1.00 0.00 C ATOM 1027 CG ASP A 63 6.626 -4.209 5.852 1.00 0.00 C ATOM 1028 OD1 ASP A 63 7.191 -3.342 5.154 1.00 0.00 O ATOM 1029 OD2 ASP A 63 6.877 -4.384 7.063 1.00 0.00 O ATOM 0 H ASP A 63 6.713 -3.381 3.397 1.00 0.00 H new ATOM 0 HA ASP A 63 4.377 -5.204 3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.778 -5.287 5.906 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.030 -6.056 4.951 1.00 0.00 H new ATOM 1034 N MET A 64 2.895 -3.540 4.700 1.00 0.00 N ATOM 1035 CA MET A 64 1.964 -2.482 5.076 1.00 0.00 C ATOM 1036 C MET A 64 2.612 -1.512 6.059 1.00 0.00 C ATOM 1037 O MET A 64 2.275 -0.330 6.091 1.00 0.00 O ATOM 1038 CB MET A 64 0.699 -3.083 5.693 1.00 0.00 C ATOM 1039 CG MET A 64 -0.385 -3.393 4.674 1.00 0.00 C ATOM 1040 SD MET A 64 -1.429 -1.968 4.315 1.00 0.00 S ATOM 1041 CE MET A 64 -3.014 -2.548 4.915 1.00 0.00 C ATOM 0 H MET A 64 2.515 -4.483 4.778 1.00 0.00 H new ATOM 0 HA MET A 64 1.694 -1.932 4.175 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.962 -3.999 6.222 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.302 -2.390 6.435 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.078 -3.741 3.751 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.005 -4.208 5.046 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.686 -1.700 5.045 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.443 -3.244 4.194 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.878 -3.054 5.871 1.00 0.00 H new ATOM 1051 N GLU A 65 3.544 -2.022 6.860 1.00 0.00 N ATOM 1052 CA GLU A 65 4.237 -1.199 7.844 1.00 0.00 C ATOM 1053 C GLU A 65 4.939 -0.023 7.172 1.00 0.00 C ATOM 1054 O GLU A 65 5.013 1.072 7.729 1.00 0.00 O ATOM 1055 CB GLU A 65 5.254 -2.040 8.618 1.00 0.00 C ATOM 1056 CG GLU A 65 4.621 -2.997 9.614 1.00 0.00 C ATOM 1057 CD GLU A 65 4.330 -2.341 10.950 1.00 0.00 C ATOM 1058 OE1 GLU A 65 3.865 -1.183 10.954 1.00 0.00 O ATOM 1059 OE2 GLU A 65 4.568 -2.988 11.991 1.00 0.00 O ATOM 0 H GLU A 65 3.835 -2.999 6.846 1.00 0.00 H new ATOM 0 HA GLU A 65 3.495 -0.807 8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.855 -2.611 7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.934 -1.374 9.149 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.694 -3.389 9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.286 -3.847 9.768 1.00 0.00 H new ATOM 1066 N LYS A 66 5.455 -0.258 5.970 1.00 0.00 N ATOM 1067 CA LYS A 66 6.151 0.781 5.219 1.00 0.00 C ATOM 1068 C LYS A 66 5.217 1.945 4.906 1.00 0.00 C ATOM 1069 O LYS A 66 5.447 3.073 5.343 1.00 0.00 O ATOM 1070 CB LYS A 66 6.720 0.205 3.920 1.00 0.00 C ATOM 1071 CG LYS A 66 8.098 -0.414 4.081 1.00 0.00 C ATOM 1072 CD LYS A 66 8.911 -0.305 2.802 1.00 0.00 C ATOM 1073 CE LYS A 66 10.401 -0.443 3.076 1.00 0.00 C ATOM 1074 NZ LYS A 66 11.146 -0.899 1.869 1.00 0.00 N ATOM 0 H LYS A 66 5.404 -1.159 5.495 1.00 0.00 H new ATOM 0 HA LYS A 66 6.971 1.152 5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.034 -0.550 3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.772 0.997 3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.628 0.083 4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.996 -1.463 4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.595 -1.078 2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.715 0.656 2.326 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.800 0.515 3.409 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.557 -1.152 3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.165 -0.916 2.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.830 -1.854 1.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.964 -0.245 1.081 1.00 0.00 H new ATOM 1088 N ILE A 67 4.162 1.664 4.148 1.00 0.00 N ATOM 1089 CA ILE A 67 3.193 2.687 3.779 1.00 0.00 C ATOM 1090 C ILE A 67 2.797 3.530 4.986 1.00 0.00 C ATOM 1091 O ILE A 67 2.886 4.758 4.955 1.00 0.00 O ATOM 1092 CB ILE A 67 1.925 2.066 3.163 1.00 0.00 C ATOM 1093 CG1 ILE A 67 2.243 1.453 1.797 1.00 0.00 C ATOM 1094 CG2 ILE A 67 0.829 3.114 3.037 1.00 0.00 C ATOM 1095 CD1 ILE A 67 2.669 0.004 1.869 1.00 0.00 C ATOM 0 H ILE A 67 3.957 0.736 3.778 1.00 0.00 H new ATOM 0 HA ILE A 67 3.674 3.323 3.036 1.00 0.00 H new ATOM 0 HB ILE A 67 1.569 1.274 3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.363 1.533 1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.035 2.033 1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.060 2.660 2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.587 3.508 4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.174 3.926 2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.878 -0.364 0.865 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.567 -0.081 2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.869 -0.589 2.313 1.00 0.00 H new ATOM 1107 N ARG A 68 2.361 2.862 6.050 1.00 0.00 N ATOM 1108 CA ARG A 68 1.951 3.550 7.268 1.00 0.00 C ATOM 1109 C ARG A 68 3.066 4.457 7.781 1.00 0.00 C ATOM 1110 O ARG A 68 2.805 5.501 8.379 1.00 0.00 O ATOM 1111 CB ARG A 68 1.568 2.536 8.347 1.00 0.00 C ATOM 1112 CG ARG A 68 0.552 3.064 9.346 1.00 0.00 C ATOM 1113 CD ARG A 68 0.395 2.124 10.531 1.00 0.00 C ATOM 1114 NE ARG A 68 -0.353 2.740 11.624 1.00 0.00 N ATOM 1115 CZ ARG A 68 -0.481 2.193 12.828 1.00 0.00 C ATOM 1116 NH1 ARG A 68 0.087 1.024 13.092 1.00 0.00 N ATOM 1117 NH2 ARG A 68 -1.177 2.815 13.770 1.00 0.00 N ATOM 0 H ARG A 68 2.283 1.846 6.093 1.00 0.00 H new ATOM 0 HA ARG A 68 1.083 4.166 7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.164 1.644 7.868 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.467 2.231 8.883 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.864 4.047 9.699 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.411 3.193 8.853 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.116 1.217 10.209 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.380 1.825 10.889 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.802 3.640 11.453 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.623 0.543 12.370 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.013 0.606 14.017 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.615 3.714 13.571 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.275 2.394 14.694 1.00 0.00 H new ATOM 1131 N SER A 69 4.309 4.051 7.543 1.00 0.00 N ATOM 1132 CA SER A 69 5.464 4.825 7.984 1.00 0.00 C ATOM 1133 C SER A 69 5.398 6.252 7.449 1.00 0.00 C ATOM 1134 O SER A 69 5.263 7.208 8.213 1.00 0.00 O ATOM 1135 CB SER A 69 6.760 4.155 7.524 1.00 0.00 C ATOM 1136 OG SER A 69 7.856 4.561 8.324 1.00 0.00 O ATOM 0 H SER A 69 4.542 3.191 7.047 1.00 0.00 H new ATOM 0 HA SER A 69 5.450 4.863 9.073 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.651 3.072 7.574 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.953 4.408 6.481 1.00 0.00 H new ATOM 0 HG SER A 69 8.672 4.117 8.011 1.00 0.00 H new ATOM 1142 N HIS A 70 5.495 6.388 6.130 1.00 0.00 N ATOM 1143 CA HIS A 70 5.446 7.698 5.491 1.00 0.00 C ATOM 1144 C HIS A 70 4.045 8.296 5.584 1.00 0.00 C ATOM 1145 O HIS A 70 3.878 9.449 5.983 1.00 0.00 O ATOM 1146 CB HIS A 70 5.870 7.590 4.026 1.00 0.00 C ATOM 1147 CG HIS A 70 7.280 7.117 3.844 1.00 0.00 C ATOM 1148 ND1 HIS A 70 7.663 5.806 4.030 1.00 0.00 N ATOM 1149 CD2 HIS A 70 8.400 7.789 3.489 1.00 0.00 C ATOM 1150 CE1 HIS A 70 8.959 5.691 3.799 1.00 0.00 C ATOM 1151 NE2 HIS A 70 9.430 6.880 3.468 1.00 0.00 N ATOM 0 H HIS A 70 5.608 5.607 5.483 1.00 0.00 H new ATOM 0 HA HIS A 70 6.139 8.357 6.015 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.196 6.905 3.511 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.758 8.565 3.551 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.471 8.843 3.264 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.535 4.780 3.869 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.401 7.089 3.235 1.00 0.00 H new ATOM 1160 N MET A 71 3.043 7.506 5.214 1.00 0.00 N ATOM 1161 CA MET A 71 1.658 7.958 5.257 1.00 0.00 C ATOM 1162 C MET A 71 1.348 8.635 6.588 1.00 0.00 C ATOM 1163 O MET A 71 0.408 9.423 6.690 1.00 0.00 O ATOM 1164 CB MET A 71 0.707 6.779 5.037 1.00 0.00 C ATOM 1165 CG MET A 71 -0.711 7.199 4.688 1.00 0.00 C ATOM 1166 SD MET A 71 -1.885 5.834 4.789 1.00 0.00 S ATOM 1167 CE MET A 71 -1.946 5.570 6.559 1.00 0.00 C ATOM 0 H MET A 71 3.164 6.550 4.881 1.00 0.00 H new ATOM 0 HA MET A 71 1.514 8.685 4.458 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.099 6.151 4.236 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.684 6.168 5.939 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.026 7.995 5.363 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.726 7.612 3.679 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.757 4.882 6.796 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.000 5.146 6.897 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.118 6.521 7.063 1.00 0.00 H new ATOM 1177 N MET A 72 2.143 8.322 7.606 1.00 0.00 N ATOM 1178 CA MET A 72 1.953 8.902 8.930 1.00 0.00 C ATOM 1179 C MET A 72 2.836 10.132 9.117 1.00 0.00 C ATOM 1180 O MET A 72 2.447 11.091 9.783 1.00 0.00 O ATOM 1181 CB MET A 72 2.265 7.867 10.013 1.00 0.00 C ATOM 1182 CG MET A 72 1.185 6.809 10.171 1.00 0.00 C ATOM 1183 SD MET A 72 -0.325 7.464 10.907 1.00 0.00 S ATOM 1184 CE MET A 72 -1.403 7.515 9.477 1.00 0.00 C ATOM 0 H MET A 72 2.925 7.670 7.539 1.00 0.00 H new ATOM 0 HA MET A 72 0.911 9.208 9.019 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.210 7.378 9.775 1.00 0.00 H new ATOM 0 HB3 MET A 72 2.402 8.379 10.965 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.954 6.383 9.195 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.565 5.997 10.791 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.999 8.427 9.503 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.802 7.500 8.568 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.064 6.649 9.489 1.00 0.00 H new ATOM 1194 N ALA A 73 4.025 10.097 8.525 1.00 0.00 N ATOM 1195 CA ALA A 73 4.961 11.210 8.625 1.00 0.00 C ATOM 1196 C ALA A 73 4.747 12.211 7.495 1.00 0.00 C ATOM 1197 O ALA A 73 5.678 12.897 7.076 1.00 0.00 O ATOM 1198 CB ALA A 73 6.394 10.697 8.614 1.00 0.00 C ATOM 0 H ALA A 73 4.363 9.310 7.971 1.00 0.00 H new ATOM 0 HA ALA A 73 4.777 11.723 9.569 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.082 11.539 8.689 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.547 10.026 9.460 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.580 10.158 7.685 1.00 0.00 H new ATOM 1204 N ASN A 74 3.514 12.288 7.005 1.00 0.00 N ATOM 1205 CA ASN A 74 3.178 13.205 5.922 1.00 0.00 C ATOM 1206 C ASN A 74 4.342 13.342 4.944 1.00 0.00 C ATOM 1207 O ASN A 74 4.699 14.448 4.538 1.00 0.00 O ATOM 1208 CB ASN A 74 2.806 14.578 6.485 1.00 0.00 C ATOM 1209 CG ASN A 74 3.933 15.198 7.289 1.00 0.00 C ATOM 1210 OD1 ASN A 74 4.740 15.963 6.760 1.00 0.00 O ATOM 1211 ND2 ASN A 74 3.993 14.869 8.574 1.00 0.00 N ATOM 0 H ASN A 74 2.731 11.727 7.341 1.00 0.00 H new ATOM 0 HA ASN A 74 2.322 12.796 5.385 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.540 15.244 5.664 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.923 14.482 7.117 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.729 15.254 9.165 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.303 14.231 8.970 1.00 0.00 H new ATOM 1218 N LYS A 75 4.929 12.210 4.570 1.00 0.00 N ATOM 1219 CA LYS A 75 6.051 12.201 3.639 1.00 0.00 C ATOM 1220 C LYS A 75 5.586 11.846 2.230 1.00 0.00 C ATOM 1221 O LYS A 75 6.379 11.835 1.289 1.00 0.00 O ATOM 1222 CB LYS A 75 7.117 11.206 4.102 1.00 0.00 C ATOM 1223 CG LYS A 75 8.041 11.759 5.174 1.00 0.00 C ATOM 1224 CD LYS A 75 9.112 10.753 5.560 1.00 0.00 C ATOM 1225 CE LYS A 75 9.992 11.279 6.683 1.00 0.00 C ATOM 1226 NZ LYS A 75 10.747 10.185 7.355 1.00 0.00 N ATOM 0 H LYS A 75 4.646 11.286 4.898 1.00 0.00 H new ATOM 0 HA LYS A 75 6.482 13.202 3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.625 10.311 4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.714 10.900 3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.512 12.673 4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.458 12.027 6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.641 9.821 5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.728 10.524 4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.693 12.011 6.282 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.374 11.797 7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.335 10.584 8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.078 9.499 7.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.356 9.706 6.661 1.00 0.00 H new ATOM 1240 N TYR A 76 4.297 11.557 2.093 1.00 0.00 N ATOM 1241 CA TYR A 76 3.727 11.200 0.799 1.00 0.00 C ATOM 1242 C TYR A 76 3.509 12.441 -0.061 1.00 0.00 C ATOM 1243 O TYR A 76 3.842 13.555 0.343 1.00 0.00 O ATOM 1244 CB TYR A 76 2.403 10.458 0.989 1.00 0.00 C ATOM 1245 CG TYR A 76 1.542 11.028 2.093 1.00 0.00 C ATOM 1246 CD1 TYR A 76 1.588 12.380 2.409 1.00 0.00 C ATOM 1247 CD2 TYR A 76 0.681 10.214 2.820 1.00 0.00 C ATOM 1248 CE1 TYR A 76 0.803 12.905 3.418 1.00 0.00 C ATOM 1249 CE2 TYR A 76 -0.108 10.731 3.829 1.00 0.00 C ATOM 1250 CZ TYR A 76 -0.043 12.076 4.125 1.00 0.00 C ATOM 1251 OH TYR A 76 -0.827 12.595 5.129 1.00 0.00 O ATOM 0 H TYR A 76 3.627 11.563 2.862 1.00 0.00 H new ATOM 0 HA TYR A 76 4.433 10.545 0.288 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.844 10.484 0.054 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.611 9.410 1.206 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.249 13.032 1.857 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.628 9.160 2.592 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.852 13.958 3.652 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.773 10.085 4.383 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.366 11.879 5.526 1.00 0.00 H new ATOM 1261 N GLN A 77 2.946 12.239 -1.247 1.00 0.00 N ATOM 1262 CA GLN A 77 2.682 13.341 -2.165 1.00 0.00 C ATOM 1263 C GLN A 77 1.256 13.273 -2.703 1.00 0.00 C ATOM 1264 O GLN A 77 0.610 14.300 -2.907 1.00 0.00 O ATOM 1265 CB GLN A 77 3.679 13.316 -3.325 1.00 0.00 C ATOM 1266 CG GLN A 77 5.044 13.881 -2.967 1.00 0.00 C ATOM 1267 CD GLN A 77 5.959 14.002 -4.169 1.00 0.00 C ATOM 1268 OE1 GLN A 77 5.515 14.317 -5.273 1.00 0.00 O ATOM 1269 NE2 GLN A 77 7.247 13.752 -3.960 1.00 0.00 N ATOM 0 H GLN A 77 2.664 11.323 -1.595 1.00 0.00 H new ATOM 0 HA GLN A 77 2.799 14.275 -1.615 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.799 12.288 -3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.267 13.884 -4.159 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.918 14.863 -2.511 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.514 13.240 -2.221 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.572 13.494 -3.028 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.911 13.818 -4.731 1.00 0.00 H new ATOM 1278 N ASP A 78 0.773 12.057 -2.930 1.00 0.00 N ATOM 1279 CA ASP A 78 -0.577 11.854 -3.443 1.00 0.00 C ATOM 1280 C ASP A 78 -1.049 10.427 -3.183 1.00 0.00 C ATOM 1281 O ASP A 78 -0.322 9.618 -2.606 1.00 0.00 O ATOM 1282 CB ASP A 78 -0.626 12.155 -4.942 1.00 0.00 C ATOM 1283 CG ASP A 78 0.376 13.216 -5.352 1.00 0.00 C ATOM 1284 OD1 ASP A 78 0.017 14.412 -5.330 1.00 0.00 O ATOM 1285 OD2 ASP A 78 1.520 12.851 -5.695 1.00 0.00 O ATOM 0 H ASP A 78 1.296 11.197 -2.767 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.244 12.539 -2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.430 11.239 -5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.630 12.484 -5.211 1.00 0.00 H new ATOM 1290 N ILE A 79 -2.271 10.127 -3.610 1.00 0.00 N ATOM 1291 CA ILE A 79 -2.839 8.798 -3.423 1.00 0.00 C ATOM 1292 C ILE A 79 -1.955 7.727 -4.054 1.00 0.00 C ATOM 1293 O ILE A 79 -1.861 6.608 -3.549 1.00 0.00 O ATOM 1294 CB ILE A 79 -4.253 8.700 -4.025 1.00 0.00 C ATOM 1295 CG1 ILE A 79 -5.236 9.546 -3.214 1.00 0.00 C ATOM 1296 CG2 ILE A 79 -4.709 7.249 -4.074 1.00 0.00 C ATOM 1297 CD1 ILE A 79 -5.518 8.990 -1.836 1.00 0.00 C ATOM 0 H ILE A 79 -2.886 10.786 -4.087 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.898 8.630 -2.348 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.225 9.086 -5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.838 10.556 -3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.174 9.626 -3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.710 7.196 -4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.020 6.672 -4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.724 6.838 -3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.223 9.641 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.946 7.992 -1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.589 8.936 -1.268 1.00 0.00 H new ATOM 1309 N ASP A 80 -1.307 8.079 -5.159 1.00 0.00 N ATOM 1310 CA ASP A 80 -0.427 7.150 -5.858 1.00 0.00 C ATOM 1311 C ASP A 80 0.575 6.522 -4.895 1.00 0.00 C ATOM 1312 O ASP A 80 0.747 5.303 -4.869 1.00 0.00 O ATOM 1313 CB ASP A 80 0.313 7.868 -6.988 1.00 0.00 C ATOM 1314 CG ASP A 80 0.607 9.318 -6.659 1.00 0.00 C ATOM 1315 OD1 ASP A 80 1.247 9.572 -5.617 1.00 0.00 O ATOM 1316 OD2 ASP A 80 0.198 10.199 -7.443 1.00 0.00 O ATOM 0 H ASP A 80 -1.375 9.001 -5.590 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.041 6.356 -6.283 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.249 7.348 -7.193 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.285 7.819 -7.898 1.00 0.00 H new ATOM 1321 N SER A 81 1.236 7.363 -4.106 1.00 0.00 N ATOM 1322 CA SER A 81 2.226 6.890 -3.144 1.00 0.00 C ATOM 1323 C SER A 81 1.798 5.559 -2.535 1.00 0.00 C ATOM 1324 O SER A 81 2.544 4.580 -2.569 1.00 0.00 O ATOM 1325 CB SER A 81 2.430 7.928 -2.039 1.00 0.00 C ATOM 1326 OG SER A 81 3.299 8.963 -2.466 1.00 0.00 O ATOM 0 H SER A 81 1.104 8.374 -4.114 1.00 0.00 H new ATOM 0 HA SER A 81 3.168 6.742 -3.672 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.468 8.352 -1.752 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.842 7.445 -1.153 1.00 0.00 H new ATOM 0 HG SER A 81 3.539 9.525 -1.700 1.00 0.00 H new ATOM 1332 N MET A 82 0.592 5.531 -1.977 1.00 0.00 N ATOM 1333 CA MET A 82 0.064 4.319 -1.360 1.00 0.00 C ATOM 1334 C MET A 82 -0.063 3.198 -2.386 1.00 0.00 C ATOM 1335 O MET A 82 0.392 2.078 -2.155 1.00 0.00 O ATOM 1336 CB MET A 82 -1.298 4.599 -0.721 1.00 0.00 C ATOM 1337 CG MET A 82 -1.207 5.080 0.718 1.00 0.00 C ATOM 1338 SD MET A 82 -2.651 6.034 1.224 1.00 0.00 S ATOM 1339 CE MET A 82 -3.972 4.912 0.773 1.00 0.00 C ATOM 0 H MET A 82 -0.038 6.333 -1.939 1.00 0.00 H new ATOM 0 HA MET A 82 0.762 4.001 -0.586 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.821 5.349 -1.314 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.899 3.691 -0.754 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.095 4.220 1.378 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.313 5.691 0.837 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.759 4.954 1.526 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.381 5.202 -0.195 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.582 3.896 0.713 1.00 0.00 H new ATOM 1349 N VAL A 83 -0.686 3.506 -3.519 1.00 0.00 N ATOM 1350 CA VAL A 83 -0.872 2.525 -4.581 1.00 0.00 C ATOM 1351 C VAL A 83 0.453 1.878 -4.970 1.00 0.00 C ATOM 1352 O VAL A 83 0.650 0.679 -4.775 1.00 0.00 O ATOM 1353 CB VAL A 83 -1.506 3.163 -5.831 1.00 0.00 C ATOM 1354 CG1 VAL A 83 -1.790 2.105 -6.886 1.00 0.00 C ATOM 1355 CG2 VAL A 83 -2.777 3.912 -5.460 1.00 0.00 C ATOM 0 H VAL A 83 -1.071 4.428 -3.725 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.545 1.761 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.799 3.878 -6.250 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.238 2.575 -7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.858 1.618 -7.173 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.478 1.363 -6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.212 4.357 -6.355 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.491 3.219 -5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.540 4.698 -4.743 1.00 0.00 H new ATOM 1365 N GLU A 84 1.357 2.681 -5.522 1.00 0.00 N ATOM 1366 CA GLU A 84 2.664 2.186 -5.939 1.00 0.00 C ATOM 1367 C GLU A 84 3.276 1.293 -4.863 1.00 0.00 C ATOM 1368 O GLU A 84 4.146 0.468 -5.146 1.00 0.00 O ATOM 1369 CB GLU A 84 3.604 3.354 -6.242 1.00 0.00 C ATOM 1370 CG GLU A 84 4.136 4.046 -4.999 1.00 0.00 C ATOM 1371 CD GLU A 84 5.408 4.829 -5.266 1.00 0.00 C ATOM 1372 OE1 GLU A 84 6.469 4.195 -5.440 1.00 0.00 O ATOM 1373 OE2 GLU A 84 5.340 6.075 -5.300 1.00 0.00 O ATOM 0 H GLU A 84 1.209 3.676 -5.691 1.00 0.00 H new ATOM 0 HA GLU A 84 2.528 1.595 -6.844 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.445 2.989 -6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.076 4.084 -6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.374 4.720 -4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.328 3.301 -4.227 1.00 0.00 H new ATOM 1380 N ASP A 85 2.816 1.463 -3.629 1.00 0.00 N ATOM 1381 CA ASP A 85 3.317 0.673 -2.510 1.00 0.00 C ATOM 1382 C ASP A 85 2.501 -0.604 -2.339 1.00 0.00 C ATOM 1383 O ASP A 85 3.053 -1.677 -2.090 1.00 0.00 O ATOM 1384 CB ASP A 85 3.278 1.495 -1.220 1.00 0.00 C ATOM 1385 CG ASP A 85 4.470 2.423 -1.089 1.00 0.00 C ATOM 1386 OD1 ASP A 85 4.980 2.883 -2.131 1.00 0.00 O ATOM 1387 OD2 ASP A 85 4.892 2.688 0.056 1.00 0.00 O ATOM 0 H ASP A 85 2.097 2.141 -3.378 1.00 0.00 H new ATOM 0 HA ASP A 85 4.349 0.397 -2.725 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.360 2.082 -1.194 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.250 0.821 -0.364 1.00 0.00 H new ATOM 1392 N PHE A 86 1.185 -0.482 -2.473 1.00 0.00 N ATOM 1393 CA PHE A 86 0.292 -1.627 -2.331 1.00 0.00 C ATOM 1394 C PHE A 86 0.547 -2.654 -3.430 1.00 0.00 C ATOM 1395 O PHE A 86 0.568 -3.859 -3.176 1.00 0.00 O ATOM 1396 CB PHE A 86 -1.167 -1.171 -2.371 1.00 0.00 C ATOM 1397 CG PHE A 86 -1.720 -0.807 -1.022 1.00 0.00 C ATOM 1398 CD1 PHE A 86 -2.145 -1.792 -0.145 1.00 0.00 C ATOM 1399 CD2 PHE A 86 -1.813 0.519 -0.632 1.00 0.00 C ATOM 1400 CE1 PHE A 86 -2.654 -1.461 1.097 1.00 0.00 C ATOM 1401 CE2 PHE A 86 -2.320 0.855 0.609 1.00 0.00 C ATOM 1402 CZ PHE A 86 -2.742 -0.135 1.474 1.00 0.00 C ATOM 0 H PHE A 86 0.713 0.398 -2.680 1.00 0.00 H new ATOM 0 HA PHE A 86 0.492 -2.095 -1.367 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.252 -0.310 -3.034 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.776 -1.966 -2.802 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.078 -2.830 -0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.486 1.298 -1.305 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.982 -2.238 1.771 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.386 1.892 0.902 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.140 0.127 2.443 1.00 0.00 H new ATOM 1412 N VAL A 87 0.738 -2.169 -4.652 1.00 0.00 N ATOM 1413 CA VAL A 87 0.991 -3.044 -5.791 1.00 0.00 C ATOM 1414 C VAL A 87 2.152 -3.990 -5.509 1.00 0.00 C ATOM 1415 O VAL A 87 2.139 -5.147 -5.929 1.00 0.00 O ATOM 1416 CB VAL A 87 1.301 -2.233 -7.063 1.00 0.00 C ATOM 1417 CG1 VAL A 87 1.672 -3.160 -8.211 1.00 0.00 C ATOM 1418 CG2 VAL A 87 0.117 -1.355 -7.437 1.00 0.00 C ATOM 0 H VAL A 87 0.722 -1.175 -4.879 1.00 0.00 H new ATOM 0 HA VAL A 87 0.083 -3.625 -5.952 1.00 0.00 H new ATOM 0 HB VAL A 87 2.154 -1.586 -6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.888 -2.569 -9.101 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.553 -3.741 -7.939 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.841 -3.835 -8.416 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.354 -0.789 -8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.756 -1.981 -7.621 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.096 -0.665 -6.621 1.00 0.00 H new ATOM 1428 N MET A 88 3.156 -3.491 -4.795 1.00 0.00 N ATOM 1429 CA MET A 88 4.325 -4.294 -4.455 1.00 0.00 C ATOM 1430 C MET A 88 3.945 -5.441 -3.525 1.00 0.00 C ATOM 1431 O MET A 88 4.364 -6.581 -3.726 1.00 0.00 O ATOM 1432 CB MET A 88 5.396 -3.421 -3.797 1.00 0.00 C ATOM 1433 CG MET A 88 6.166 -2.558 -4.783 1.00 0.00 C ATOM 1434 SD MET A 88 6.742 -1.014 -4.051 1.00 0.00 S ATOM 1435 CE MET A 88 8.336 -1.518 -3.407 1.00 0.00 C ATOM 0 H MET A 88 3.183 -2.535 -4.441 1.00 0.00 H new ATOM 0 HA MET A 88 4.726 -4.715 -5.377 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.923 -2.777 -3.055 1.00 0.00 H new ATOM 0 HB3 MET A 88 6.097 -4.062 -3.262 1.00 0.00 H new ATOM 0 HG2 MET A 88 7.022 -3.119 -5.160 1.00 0.00 H new ATOM 0 HG3 MET A 88 5.529 -2.335 -5.639 1.00 0.00 H new ATOM 0 HE1 MET A 88 8.482 -1.086 -2.417 1.00 0.00 H new ATOM 0 HE2 MET A 88 8.373 -2.605 -3.337 1.00 0.00 H new ATOM 0 HE3 MET A 88 9.125 -1.170 -4.074 1.00 0.00 H new ATOM 1445 N MET A 89 3.150 -5.132 -2.506 1.00 0.00 N ATOM 1446 CA MET A 89 2.713 -6.139 -1.545 1.00 0.00 C ATOM 1447 C MET A 89 2.207 -7.388 -2.259 1.00 0.00 C ATOM 1448 O MET A 89 2.722 -8.486 -2.049 1.00 0.00 O ATOM 1449 CB MET A 89 1.615 -5.571 -0.643 1.00 0.00 C ATOM 1450 CG MET A 89 2.140 -4.651 0.447 1.00 0.00 C ATOM 1451 SD MET A 89 0.887 -3.500 1.046 1.00 0.00 S ATOM 1452 CE MET A 89 -0.500 -4.607 1.291 1.00 0.00 C ATOM 0 H MET A 89 2.795 -4.193 -2.324 1.00 0.00 H new ATOM 0 HA MET A 89 3.570 -6.416 -0.931 1.00 0.00 H new ATOM 0 HB2 MET A 89 0.900 -5.023 -1.256 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.073 -6.396 -0.181 1.00 0.00 H new ATOM 0 HG2 MET A 89 2.504 -5.252 1.280 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.991 -4.088 0.064 1.00 0.00 H new ATOM 0 HE1 MET A 89 -1.249 -4.119 1.915 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.940 -4.858 0.326 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.156 -5.518 1.781 1.00 0.00 H new ATOM 1462 N PHE A 90 1.194 -7.213 -3.101 1.00 0.00 N ATOM 1463 CA PHE A 90 0.617 -8.326 -3.845 1.00 0.00 C ATOM 1464 C PHE A 90 1.637 -8.922 -4.811 1.00 0.00 C ATOM 1465 O PHE A 90 1.945 -10.111 -4.750 1.00 0.00 O ATOM 1466 CB PHE A 90 -0.622 -7.866 -4.615 1.00 0.00 C ATOM 1467 CG PHE A 90 -1.456 -6.866 -3.865 1.00 0.00 C ATOM 1468 CD1 PHE A 90 -1.653 -6.994 -2.499 1.00 0.00 C ATOM 1469 CD2 PHE A 90 -2.043 -5.799 -4.525 1.00 0.00 C ATOM 1470 CE1 PHE A 90 -2.421 -6.076 -1.807 1.00 0.00 C ATOM 1471 CE2 PHE A 90 -2.811 -4.878 -3.839 1.00 0.00 C ATOM 1472 CZ PHE A 90 -2.999 -5.016 -2.477 1.00 0.00 C ATOM 0 H PHE A 90 0.756 -6.311 -3.285 1.00 0.00 H new ATOM 0 HA PHE A 90 0.327 -9.096 -3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.309 -7.428 -5.563 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.236 -8.735 -4.852 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.202 -7.820 -1.969 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.898 -5.686 -5.589 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.569 -6.188 -0.743 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.264 -4.051 -4.366 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.597 -4.296 -1.938 1.00 0.00 H new ATOM 1482 N ASN A 91 2.157 -8.085 -5.703 1.00 0.00 N ATOM 1483 CA ASN A 91 3.142 -8.528 -6.684 1.00 0.00 C ATOM 1484 C ASN A 91 4.203 -9.408 -6.030 1.00 0.00 C ATOM 1485 O ASN A 91 4.646 -10.398 -6.611 1.00 0.00 O ATOM 1486 CB ASN A 91 3.805 -7.322 -7.353 1.00 0.00 C ATOM 1487 CG ASN A 91 4.246 -7.618 -8.773 1.00 0.00 C ATOM 1488 OD1 ASN A 91 5.014 -8.549 -9.014 1.00 0.00 O ATOM 1489 ND2 ASN A 91 3.760 -6.825 -9.721 1.00 0.00 N ATOM 0 H ASN A 91 1.913 -7.097 -5.767 1.00 0.00 H new ATOM 0 HA ASN A 91 2.624 -9.116 -7.442 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.107 -6.485 -7.359 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.669 -7.013 -6.764 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.021 -6.976 -10.695 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.126 -6.065 -9.475 1.00 0.00 H new ATOM 1496 N ASN A 92 4.604 -9.040 -4.818 1.00 0.00 N ATOM 1497 CA ASN A 92 5.613 -9.796 -4.084 1.00 0.00 C ATOM 1498 C ASN A 92 5.086 -11.175 -3.699 1.00 0.00 C ATOM 1499 O ASN A 92 5.780 -12.180 -3.850 1.00 0.00 O ATOM 1500 CB ASN A 92 6.040 -9.033 -2.829 1.00 0.00 C ATOM 1501 CG ASN A 92 7.476 -9.321 -2.438 1.00 0.00 C ATOM 1502 OD1 ASN A 92 7.790 -10.400 -1.935 1.00 0.00 O ATOM 1503 ND2 ASN A 92 8.357 -8.354 -2.668 1.00 0.00 N ATOM 0 H ASN A 92 4.246 -8.223 -4.323 1.00 0.00 H new ATOM 0 HA ASN A 92 6.478 -9.925 -4.734 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.920 -7.963 -2.999 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.381 -9.300 -2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.338 -8.490 -2.426 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.052 -7.475 -3.087 1.00 0.00 H new ATOM 1510 N ALA A 93 3.854 -11.215 -3.202 1.00 0.00 N ATOM 1511 CA ALA A 93 3.233 -12.470 -2.798 1.00 0.00 C ATOM 1512 C ALA A 93 3.037 -13.395 -3.994 1.00 0.00 C ATOM 1513 O ALA A 93 3.271 -14.601 -3.903 1.00 0.00 O ATOM 1514 CB ALA A 93 1.902 -12.203 -2.111 1.00 0.00 C ATOM 0 H ALA A 93 3.266 -10.392 -3.070 1.00 0.00 H new ATOM 0 HA ALA A 93 3.900 -12.967 -2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.449 -13.149 -1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.066 -11.587 -1.227 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.236 -11.682 -2.798 1.00 0.00 H new ATOM 1520 N CYS A 94 2.605 -12.824 -5.113 1.00 0.00 N ATOM 1521 CA CYS A 94 2.376 -13.599 -6.328 1.00 0.00 C ATOM 1522 C CYS A 94 3.622 -14.390 -6.711 1.00 0.00 C ATOM 1523 O CYS A 94 3.544 -15.576 -7.033 1.00 0.00 O ATOM 1524 CB CYS A 94 1.969 -12.676 -7.477 1.00 0.00 C ATOM 1525 SG CYS A 94 0.345 -11.909 -7.269 1.00 0.00 S ATOM 0 H CYS A 94 2.406 -11.828 -5.204 1.00 0.00 H new ATOM 0 HA CYS A 94 1.567 -14.303 -6.134 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.719 -11.892 -7.581 1.00 0.00 H new ATOM 0 HB3 CYS A 94 1.973 -13.246 -8.406 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.582 -12.806 -7.431 1.00 0.00 H new ATOM 1531 N THR A 95 4.773 -13.726 -6.676 1.00 0.00 N ATOM 1532 CA THR A 95 6.036 -14.365 -7.022 1.00 0.00 C ATOM 1533 C THR A 95 6.535 -15.249 -5.885 1.00 0.00 C ATOM 1534 O THR A 95 6.607 -16.471 -6.021 1.00 0.00 O ATOM 1535 CB THR A 95 7.119 -13.324 -7.361 1.00 0.00 C ATOM 1536 OG1 THR A 95 6.678 -12.492 -8.440 1.00 0.00 O ATOM 1537 CG2 THR A 95 8.425 -14.005 -7.740 1.00 0.00 C ATOM 0 H THR A 95 4.856 -12.745 -6.411 1.00 0.00 H new ATOM 0 HA THR A 95 5.847 -14.981 -7.901 1.00 0.00 H new ATOM 0 HB THR A 95 7.291 -12.711 -6.477 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.371 -11.832 -8.648 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.174 -13.249 -7.975 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.773 -14.614 -6.906 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.265 -14.640 -8.611 1.00 0.00 H new ATOM 1545 N TYR A 96 6.877 -14.625 -4.764 1.00 0.00 N ATOM 1546 CA TYR A 96 7.371 -15.355 -3.602 1.00 0.00 C ATOM 1547 C TYR A 96 6.646 -16.689 -3.450 1.00 0.00 C ATOM 1548 O TYR A 96 7.257 -17.753 -3.540 1.00 0.00 O ATOM 1549 CB TYR A 96 7.194 -14.518 -2.334 1.00 0.00 C ATOM 1550 CG TYR A 96 7.874 -15.109 -1.119 1.00 0.00 C ATOM 1551 CD1 TYR A 96 9.202 -15.513 -1.170 1.00 0.00 C ATOM 1552 CD2 TYR A 96 7.187 -15.262 0.079 1.00 0.00 C ATOM 1553 CE1 TYR A 96 9.826 -16.054 -0.063 1.00 0.00 C ATOM 1554 CE2 TYR A 96 7.804 -15.801 1.192 1.00 0.00 C ATOM 1555 CZ TYR A 96 9.123 -16.195 1.116 1.00 0.00 C ATOM 1556 OH TYR A 96 9.742 -16.732 2.221 1.00 0.00 O ATOM 0 H TYR A 96 6.821 -13.615 -4.635 1.00 0.00 H new ATOM 0 HA TYR A 96 8.432 -15.553 -3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.589 -13.518 -2.511 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.130 -14.408 -2.127 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.756 -15.402 -2.091 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.154 -14.955 0.141 1.00 0.00 H new ATOM 0 HE1 TYR A 96 10.859 -16.365 -0.120 1.00 0.00 H new ATOM 0 HE2 TYR A 96 7.256 -15.913 2.116 1.00 0.00 H new ATOM 0 HH TYR A 96 10.711 -16.751 2.076 1.00 0.00 H new ATOM 1566 N ASN A 97 5.339 -16.623 -3.218 1.00 0.00 N ATOM 1567 CA ASN A 97 4.530 -17.825 -3.052 1.00 0.00 C ATOM 1568 C ASN A 97 3.946 -18.275 -4.388 1.00 0.00 C ATOM 1569 O ASN A 97 3.839 -17.488 -5.327 1.00 0.00 O ATOM 1570 CB ASN A 97 3.403 -17.571 -2.049 1.00 0.00 C ATOM 1571 CG ASN A 97 3.872 -16.792 -0.836 1.00 0.00 C ATOM 1572 OD1 ASN A 97 4.410 -17.364 0.112 1.00 0.00 O ATOM 1573 ND2 ASN A 97 3.670 -15.480 -0.861 1.00 0.00 N ATOM 0 H ASN A 97 4.818 -15.750 -3.141 1.00 0.00 H new ATOM 0 HA ASN A 97 5.174 -18.618 -2.671 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.600 -17.023 -2.541 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.986 -18.525 -1.726 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.965 -14.903 -0.073 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.220 -15.049 -1.668 1.00 0.00 H new ATOM 1580 N GLU A 98 3.570 -19.548 -4.463 1.00 0.00 N ATOM 1581 CA GLU A 98 2.998 -20.104 -5.684 1.00 0.00 C ATOM 1582 C GLU A 98 1.619 -19.510 -5.957 1.00 0.00 C ATOM 1583 O GLU A 98 0.897 -19.105 -5.045 1.00 0.00 O ATOM 1584 CB GLU A 98 2.897 -21.627 -5.580 1.00 0.00 C ATOM 1585 CG GLU A 98 4.243 -22.317 -5.431 1.00 0.00 C ATOM 1586 CD GLU A 98 4.173 -23.802 -5.727 1.00 0.00 C ATOM 1587 OE1 GLU A 98 3.607 -24.545 -4.897 1.00 0.00 O ATOM 1588 OE2 GLU A 98 4.683 -24.222 -6.786 1.00 0.00 O ATOM 0 H GLU A 98 3.651 -20.213 -3.694 1.00 0.00 H new ATOM 0 HA GLU A 98 3.657 -19.847 -6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.270 -21.884 -4.726 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.398 -22.011 -6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.963 -21.850 -6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.612 -22.170 -4.416 1.00 0.00 H new ATOM 1595 N PRO A 99 1.243 -19.455 -7.244 1.00 0.00 N ATOM 1596 CA PRO A 99 -0.051 -18.913 -7.668 1.00 0.00 C ATOM 1597 C PRO A 99 -1.217 -19.810 -7.263 1.00 0.00 C ATOM 1598 O PRO A 99 -2.377 -19.483 -7.509 1.00 0.00 O ATOM 1599 CB PRO A 99 0.072 -18.852 -9.192 1.00 0.00 C ATOM 1600 CG PRO A 99 1.083 -19.892 -9.532 1.00 0.00 C ATOM 1601 CD PRO A 99 2.052 -19.920 -8.383 1.00 0.00 C ATOM 0 HA PRO A 99 -0.260 -17.949 -7.205 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -0.884 -19.056 -9.675 1.00 0.00 H new ATOM 0 HB3 PRO A 99 0.393 -17.865 -9.524 1.00 0.00 H new ATOM 0 HG2 PRO A 99 0.611 -20.865 -9.668 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.592 -19.651 -10.465 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.446 -20.922 -8.214 1.00 0.00 H new ATOM 0 HD3 PRO A 99 2.907 -19.268 -8.562 1.00 0.00 H new ATOM 1609 N GLU A 100 -0.899 -20.941 -6.641 1.00 0.00 N ATOM 1610 CA GLU A 100 -1.921 -21.884 -6.204 1.00 0.00 C ATOM 1611 C GLU A 100 -2.118 -21.810 -4.692 1.00 0.00 C ATOM 1612 O GLU A 100 -2.647 -22.737 -4.078 1.00 0.00 O ATOM 1613 CB GLU A 100 -1.539 -23.309 -6.610 1.00 0.00 C ATOM 1614 CG GLU A 100 -1.832 -23.626 -8.067 1.00 0.00 C ATOM 1615 CD GLU A 100 -1.928 -25.116 -8.332 1.00 0.00 C ATOM 1616 OE1 GLU A 100 -1.127 -25.874 -7.746 1.00 0.00 O ATOM 1617 OE2 GLU A 100 -2.802 -25.523 -9.125 1.00 0.00 O ATOM 0 H GLU A 100 0.057 -21.226 -6.429 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.859 -21.615 -6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.476 -23.459 -6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.078 -24.015 -5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.767 -23.148 -8.358 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.048 -23.199 -8.693 1.00 0.00 H new ATOM 1624 N SER A 101 -1.688 -20.701 -4.099 1.00 0.00 N ATOM 1625 CA SER A 101 -1.813 -20.506 -2.659 1.00 0.00 C ATOM 1626 C SER A 101 -3.014 -19.623 -2.332 1.00 0.00 C ATOM 1627 O SER A 101 -3.403 -18.765 -3.126 1.00 0.00 O ATOM 1628 CB SER A 101 -0.536 -19.880 -2.095 1.00 0.00 C ATOM 1629 OG SER A 101 -0.645 -19.673 -0.698 1.00 0.00 O ATOM 0 H SER A 101 -1.250 -19.924 -4.593 1.00 0.00 H new ATOM 0 HA SER A 101 -1.965 -21.481 -2.197 1.00 0.00 H new ATOM 0 HB2 SER A 101 0.314 -20.529 -2.305 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.342 -18.930 -2.593 1.00 0.00 H new ATOM 0 HG SER A 101 0.215 -19.364 -0.345 1.00 0.00 H new ATOM 1635 N LEU A 102 -3.597 -19.839 -1.158 1.00 0.00 N ATOM 1636 CA LEU A 102 -4.753 -19.063 -0.724 1.00 0.00 C ATOM 1637 C LEU A 102 -4.429 -17.573 -0.693 1.00 0.00 C ATOM 1638 O LEU A 102 -5.129 -16.763 -1.301 1.00 0.00 O ATOM 1639 CB LEU A 102 -5.213 -19.527 0.659 1.00 0.00 C ATOM 1640 CG LEU A 102 -6.230 -20.667 0.682 1.00 0.00 C ATOM 1641 CD1 LEU A 102 -7.498 -20.267 -0.058 1.00 0.00 C ATOM 1642 CD2 LEU A 102 -5.632 -21.928 0.074 1.00 0.00 C ATOM 0 H LEU A 102 -3.288 -20.545 -0.490 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.558 -19.225 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.336 -19.839 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.643 -18.673 1.182 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.489 -20.875 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.210 -21.091 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.938 -19.392 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.255 -20.031 -1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.370 -22.729 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.343 -21.732 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.753 -22.226 0.646 1.00 0.00 H new ATOM 1654 N ILE A 103 -3.364 -17.220 0.018 1.00 0.00 N ATOM 1655 CA ILE A 103 -2.945 -15.828 0.126 1.00 0.00 C ATOM 1656 C ILE A 103 -2.950 -15.146 -1.238 1.00 0.00 C ATOM 1657 O ILE A 103 -3.232 -13.952 -1.345 1.00 0.00 O ATOM 1658 CB ILE A 103 -1.539 -15.709 0.742 1.00 0.00 C ATOM 1659 CG1 ILE A 103 -1.023 -14.274 0.616 1.00 0.00 C ATOM 1660 CG2 ILE A 103 -0.582 -16.682 0.070 1.00 0.00 C ATOM 1661 CD1 ILE A 103 0.320 -14.055 1.277 1.00 0.00 C ATOM 0 H ILE A 103 -2.775 -17.879 0.528 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.662 -15.332 0.781 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.600 -15.962 1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.946 -14.016 -0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.752 -13.594 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.408 -16.586 0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.944 -17.701 0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.523 -16.457 -0.995 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.624 -13.016 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.243 -14.282 2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.062 -14.709 0.819 1.00 0.00 H new ATOM 1673 N TYR A 104 -2.637 -15.911 -2.277 1.00 0.00 N ATOM 1674 CA TYR A 104 -2.605 -15.381 -3.635 1.00 0.00 C ATOM 1675 C TYR A 104 -4.012 -15.053 -4.126 1.00 0.00 C ATOM 1676 O TYR A 104 -4.249 -13.994 -4.707 1.00 0.00 O ATOM 1677 CB TYR A 104 -1.943 -16.384 -4.581 1.00 0.00 C ATOM 1678 CG TYR A 104 -1.773 -15.865 -5.991 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -2.876 -15.577 -6.785 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -0.508 -15.661 -6.529 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -2.724 -15.103 -8.074 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -0.347 -15.186 -7.816 1.00 0.00 C ATOM 1683 CZ TYR A 104 -1.458 -14.909 -8.585 1.00 0.00 C ATOM 1684 OH TYR A 104 -1.303 -14.436 -9.868 1.00 0.00 O ATOM 0 H TYR A 104 -2.402 -16.901 -2.205 1.00 0.00 H new ATOM 0 HA TYR A 104 -2.020 -14.461 -3.625 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -0.966 -16.656 -4.183 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.541 -17.295 -4.608 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -3.869 -15.726 -6.388 1.00 0.00 H new ATOM 0 HD2 TYR A 104 0.364 -15.878 -5.930 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -3.592 -14.886 -8.678 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.644 -15.032 -8.218 1.00 0.00 H new ATOM 0 HH TYR A 104 -0.348 -14.355 -10.074 1.00 0.00 H new ATOM 1694 N LYS A 105 -4.943 -15.970 -3.886 1.00 0.00 N ATOM 1695 CA LYS A 105 -6.328 -15.781 -4.301 1.00 0.00 C ATOM 1696 C LYS A 105 -6.932 -14.549 -3.635 1.00 0.00 C ATOM 1697 O LYS A 105 -7.878 -13.954 -4.151 1.00 0.00 O ATOM 1698 CB LYS A 105 -7.159 -17.020 -3.956 1.00 0.00 C ATOM 1699 CG LYS A 105 -6.514 -18.325 -4.389 1.00 0.00 C ATOM 1700 CD LYS A 105 -6.290 -18.364 -5.892 1.00 0.00 C ATOM 1701 CE LYS A 105 -7.584 -18.641 -6.642 1.00 0.00 C ATOM 1702 NZ LYS A 105 -8.066 -20.032 -6.421 1.00 0.00 N ATOM 0 H LYS A 105 -4.763 -16.852 -3.406 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.341 -15.632 -5.381 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.326 -17.047 -2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.138 -16.934 -4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.561 -18.449 -3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.147 -19.161 -4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.873 -17.413 -6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.557 -19.135 -6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.349 -17.936 -6.318 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.428 -18.476 -7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.765 -20.277 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.263 -20.691 -6.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.507 -20.101 -5.482 1.00 0.00 H new ATOM 1716 N ASP A 106 -6.379 -14.172 -2.487 1.00 0.00 N ATOM 1717 CA ASP A 106 -6.862 -13.009 -1.752 1.00 0.00 C ATOM 1718 C ASP A 106 -6.124 -11.746 -2.187 1.00 0.00 C ATOM 1719 O ASP A 106 -6.719 -10.675 -2.297 1.00 0.00 O ATOM 1720 CB ASP A 106 -6.690 -13.222 -0.248 1.00 0.00 C ATOM 1721 CG ASP A 106 -7.684 -14.221 0.313 1.00 0.00 C ATOM 1722 OD1 ASP A 106 -7.985 -15.213 -0.383 1.00 0.00 O ATOM 1723 OD2 ASP A 106 -8.160 -14.010 1.447 1.00 0.00 O ATOM 0 H ASP A 106 -5.596 -14.655 -2.046 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.922 -12.884 -1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -5.677 -13.570 -0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.808 -12.268 0.267 1.00 0.00 H new ATOM 1728 N ALA A 107 -4.825 -11.881 -2.431 1.00 0.00 N ATOM 1729 CA ALA A 107 -4.006 -10.752 -2.854 1.00 0.00 C ATOM 1730 C ALA A 107 -4.668 -9.991 -3.998 1.00 0.00 C ATOM 1731 O ALA A 107 -4.642 -8.760 -4.035 1.00 0.00 O ATOM 1732 CB ALA A 107 -2.622 -11.230 -3.268 1.00 0.00 C ATOM 0 H ALA A 107 -4.317 -12.761 -2.343 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.906 -10.071 -2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.021 -10.376 -3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.140 -11.723 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.713 -11.934 -4.096 1.00 0.00 H new ATOM 1738 N LEU A 108 -5.261 -10.730 -4.929 1.00 0.00 N ATOM 1739 CA LEU A 108 -5.931 -10.125 -6.074 1.00 0.00 C ATOM 1740 C LEU A 108 -7.160 -9.336 -5.633 1.00 0.00 C ATOM 1741 O LEU A 108 -7.315 -8.165 -5.978 1.00 0.00 O ATOM 1742 CB LEU A 108 -6.338 -11.203 -7.081 1.00 0.00 C ATOM 1743 CG LEU A 108 -5.196 -11.869 -7.849 1.00 0.00 C ATOM 1744 CD1 LEU A 108 -5.727 -12.989 -8.730 1.00 0.00 C ATOM 1745 CD2 LEU A 108 -4.445 -10.842 -8.684 1.00 0.00 C ATOM 0 H LEU A 108 -5.291 -11.749 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.232 -9.437 -6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.892 -11.977 -6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.023 -10.758 -7.802 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.501 -12.300 -7.128 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.900 -13.451 -9.269 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.219 -13.738 -8.109 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.443 -12.582 -9.444 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.636 -11.334 -9.224 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.129 -10.382 -9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.031 -10.074 -8.030 1.00 0.00 H new ATOM 1757 N VAL A 109 -8.029 -9.985 -4.865 1.00 0.00 N ATOM 1758 CA VAL A 109 -9.242 -9.344 -4.373 1.00 0.00 C ATOM 1759 C VAL A 109 -8.967 -7.910 -3.935 1.00 0.00 C ATOM 1760 O VAL A 109 -9.528 -6.962 -4.487 1.00 0.00 O ATOM 1761 CB VAL A 109 -9.849 -10.123 -3.191 1.00 0.00 C ATOM 1762 CG1 VAL A 109 -11.068 -9.397 -2.642 1.00 0.00 C ATOM 1763 CG2 VAL A 109 -10.207 -11.539 -3.614 1.00 0.00 C ATOM 0 H VAL A 109 -7.915 -10.955 -4.570 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.954 -9.338 -5.198 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.104 -10.183 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.483 -9.962 -1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.776 -8.405 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.819 -9.303 -3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.634 -12.075 -2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.934 -11.504 -4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.309 -12.055 -3.954 1.00 0.00 H new ATOM 1773 N LEU A 110 -8.100 -7.757 -2.941 1.00 0.00 N ATOM 1774 CA LEU A 110 -7.748 -6.438 -2.428 1.00 0.00 C ATOM 1775 C LEU A 110 -7.374 -5.493 -3.566 1.00 0.00 C ATOM 1776 O LEU A 110 -7.912 -4.391 -3.675 1.00 0.00 O ATOM 1777 CB LEU A 110 -6.588 -6.546 -1.437 1.00 0.00 C ATOM 1778 CG LEU A 110 -6.859 -7.362 -0.173 1.00 0.00 C ATOM 1779 CD1 LEU A 110 -5.573 -7.987 0.346 1.00 0.00 C ATOM 1780 CD2 LEU A 110 -7.500 -6.490 0.897 1.00 0.00 C ATOM 0 H LEU A 110 -7.627 -8.531 -2.474 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.619 -6.032 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.735 -6.986 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.296 -5.539 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.553 -8.164 -0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.786 -8.564 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.155 -8.645 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.855 -7.201 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.686 -7.087 1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.830 -5.666 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.443 -6.091 0.524 1.00 0.00 H new ATOM 1792 N HIS A 111 -6.449 -5.933 -4.413 1.00 0.00 N ATOM 1793 CA HIS A 111 -6.004 -5.128 -5.545 1.00 0.00 C ATOM 1794 C HIS A 111 -7.163 -4.330 -6.133 1.00 0.00 C ATOM 1795 O HIS A 111 -7.078 -3.111 -6.285 1.00 0.00 O ATOM 1796 CB HIS A 111 -5.386 -6.021 -6.622 1.00 0.00 C ATOM 1797 CG HIS A 111 -4.484 -5.286 -7.564 1.00 0.00 C ATOM 1798 ND1 HIS A 111 -3.973 -5.853 -8.713 1.00 0.00 N ATOM 1799 CD2 HIS A 111 -4.002 -4.022 -7.523 1.00 0.00 C ATOM 1800 CE1 HIS A 111 -3.215 -4.970 -9.338 1.00 0.00 C ATOM 1801 NE2 HIS A 111 -3.216 -3.850 -8.637 1.00 0.00 N ATOM 0 H HIS A 111 -5.993 -6.842 -4.337 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.249 -4.428 -5.187 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.822 -6.820 -6.140 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -6.185 -6.495 -7.192 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -4.198 -3.286 -6.758 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.685 -5.135 -10.264 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -2.715 -2.996 -8.883 1.00 0.00 H new ATOM 1810 N LYS A 112 -8.247 -5.025 -6.463 1.00 0.00 N ATOM 1811 CA LYS A 112 -9.425 -4.382 -7.034 1.00 0.00 C ATOM 1812 C LYS A 112 -10.047 -3.406 -6.041 1.00 0.00 C ATOM 1813 O LYS A 112 -10.333 -2.258 -6.380 1.00 0.00 O ATOM 1814 CB LYS A 112 -10.456 -5.435 -7.445 1.00 0.00 C ATOM 1815 CG LYS A 112 -11.775 -4.844 -7.912 1.00 0.00 C ATOM 1816 CD LYS A 112 -11.661 -4.264 -9.312 1.00 0.00 C ATOM 1817 CE LYS A 112 -13.012 -3.798 -9.834 1.00 0.00 C ATOM 1818 NZ LYS A 112 -13.799 -4.920 -10.415 1.00 0.00 N ATOM 0 H LYS A 112 -8.334 -6.034 -6.345 1.00 0.00 H new ATOM 0 HA LYS A 112 -9.112 -3.824 -7.917 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -10.039 -6.048 -8.244 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.643 -6.098 -6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -12.545 -5.615 -7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -12.091 -4.065 -7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -10.964 -3.426 -9.304 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -11.249 -5.015 -9.986 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -13.577 -3.341 -9.022 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -12.863 -3.029 -10.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -14.713 -4.561 -10.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -13.272 -5.341 -11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -13.964 -5.643 -9.686 1.00 0.00 H new ATOM 1832 N VAL A 113 -10.252 -3.869 -4.812 1.00 0.00 N ATOM 1833 CA VAL A 113 -10.838 -3.036 -3.769 1.00 0.00 C ATOM 1834 C VAL A 113 -10.112 -1.699 -3.661 1.00 0.00 C ATOM 1835 O VAL A 113 -10.723 -0.671 -3.366 1.00 0.00 O ATOM 1836 CB VAL A 113 -10.799 -3.740 -2.399 1.00 0.00 C ATOM 1837 CG1 VAL A 113 -11.455 -2.875 -1.335 1.00 0.00 C ATOM 1838 CG2 VAL A 113 -11.473 -5.101 -2.482 1.00 0.00 C ATOM 0 H VAL A 113 -10.021 -4.817 -4.514 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.877 -2.862 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.757 -3.892 -2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.418 -3.389 -0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.924 -1.926 -1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.494 -2.689 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.437 -5.585 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.512 -4.975 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.954 -5.720 -3.214 1.00 0.00 H new ATOM 1848 N LEU A 114 -8.806 -1.720 -3.902 1.00 0.00 N ATOM 1849 CA LEU A 114 -7.996 -0.509 -3.833 1.00 0.00 C ATOM 1850 C LEU A 114 -8.287 0.409 -5.016 1.00 0.00 C ATOM 1851 O LEU A 114 -8.097 1.623 -4.934 1.00 0.00 O ATOM 1852 CB LEU A 114 -6.509 -0.868 -3.806 1.00 0.00 C ATOM 1853 CG LEU A 114 -5.535 0.292 -4.015 1.00 0.00 C ATOM 1854 CD1 LEU A 114 -5.458 1.155 -2.765 1.00 0.00 C ATOM 1855 CD2 LEU A 114 -4.156 -0.231 -4.390 1.00 0.00 C ATOM 0 H LEU A 114 -8.285 -2.562 -4.147 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.253 0.019 -2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -6.286 -1.335 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -6.322 -1.616 -4.576 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.903 0.908 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.760 1.976 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.445 1.558 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.113 0.550 -1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.476 0.608 -4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.779 -0.870 -3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.224 -0.807 -5.313 1.00 0.00 H new ATOM 1867 N LEU A 115 -8.752 -0.178 -6.113 1.00 0.00 N ATOM 1868 CA LEU A 115 -9.073 0.588 -7.313 1.00 0.00 C ATOM 1869 C LEU A 115 -10.544 0.992 -7.324 1.00 0.00 C ATOM 1870 O LEU A 115 -10.965 1.812 -8.139 1.00 0.00 O ATOM 1871 CB LEU A 115 -8.747 -0.228 -8.565 1.00 0.00 C ATOM 1872 CG LEU A 115 -7.359 -0.867 -8.607 1.00 0.00 C ATOM 1873 CD1 LEU A 115 -7.318 -1.987 -9.636 1.00 0.00 C ATOM 1874 CD2 LEU A 115 -6.299 0.181 -8.914 1.00 0.00 C ATOM 0 H LEU A 115 -8.915 -1.181 -6.197 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.467 1.494 -7.309 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.492 -1.018 -8.664 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.853 0.420 -9.435 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.146 -1.294 -7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.322 -2.430 -9.652 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.051 -2.750 -9.373 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.552 -1.584 -10.622 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.317 -0.291 -8.940 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.508 0.637 -9.882 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.312 0.949 -8.140 1.00 0.00 H new ATOM 1886 N GLU A 116 -11.318 0.413 -6.411 1.00 0.00 N ATOM 1887 CA GLU A 116 -12.742 0.715 -6.316 1.00 0.00 C ATOM 1888 C GLU A 116 -12.974 1.992 -5.513 1.00 0.00 C ATOM 1889 O GLU A 116 -13.802 2.827 -5.879 1.00 0.00 O ATOM 1890 CB GLU A 116 -13.491 -0.452 -5.668 1.00 0.00 C ATOM 1891 CG GLU A 116 -13.649 -1.655 -6.582 1.00 0.00 C ATOM 1892 CD GLU A 116 -14.560 -1.376 -7.762 1.00 0.00 C ATOM 1893 OE1 GLU A 116 -15.795 -1.424 -7.581 1.00 0.00 O ATOM 1894 OE2 GLU A 116 -14.039 -1.110 -8.865 1.00 0.00 O ATOM 0 H GLU A 116 -10.984 -0.267 -5.728 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.124 0.867 -7.325 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -12.960 -0.758 -4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -14.478 -0.111 -5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.669 -1.959 -6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -14.049 -2.492 -6.009 1.00 0.00 H new ATOM 1901 N THR A 117 -12.239 2.136 -4.415 1.00 0.00 N ATOM 1902 CA THR A 117 -12.365 3.308 -3.559 1.00 0.00 C ATOM 1903 C THR A 117 -11.763 4.541 -4.222 1.00 0.00 C ATOM 1904 O THR A 117 -12.257 5.655 -4.049 1.00 0.00 O ATOM 1905 CB THR A 117 -11.681 3.086 -2.197 1.00 0.00 C ATOM 1906 OG1 THR A 117 -11.868 4.233 -1.361 1.00 0.00 O ATOM 1907 CG2 THR A 117 -10.194 2.819 -2.375 1.00 0.00 C ATOM 0 H THR A 117 -11.550 1.454 -4.098 1.00 0.00 H new ATOM 0 HA THR A 117 -13.431 3.469 -3.400 1.00 0.00 H new ATOM 0 HB THR A 117 -12.136 2.215 -1.725 1.00 0.00 H new ATOM 0 HG1 THR A 117 -11.431 4.083 -0.497 1.00 0.00 H new ATOM 0 HG21 THR A 117 -9.733 2.665 -1.399 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.055 1.928 -2.987 1.00 0.00 H new ATOM 0 HG23 THR A 117 -9.727 3.673 -2.867 1.00 0.00 H new ATOM 1915 N ARG A 118 -10.693 4.335 -4.983 1.00 0.00 N ATOM 1916 CA ARG A 118 -10.022 5.430 -5.672 1.00 0.00 C ATOM 1917 C ARG A 118 -11.038 6.414 -6.246 1.00 0.00 C ATOM 1918 O ARG A 118 -10.879 7.628 -6.121 1.00 0.00 O ATOM 1919 CB ARG A 118 -9.132 4.888 -6.792 1.00 0.00 C ATOM 1920 CG ARG A 118 -7.711 4.583 -6.346 1.00 0.00 C ATOM 1921 CD ARG A 118 -6.803 5.791 -6.515 1.00 0.00 C ATOM 1922 NE ARG A 118 -6.511 6.064 -7.920 1.00 0.00 N ATOM 1923 CZ ARG A 118 -5.482 6.798 -8.327 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -4.650 7.329 -7.441 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -5.282 7.002 -9.623 1.00 0.00 N ATOM 0 H ARG A 118 -10.272 3.419 -5.138 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.401 5.956 -4.947 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.581 3.980 -7.194 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.101 5.614 -7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.715 4.273 -5.301 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.318 3.747 -6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.275 6.665 -6.066 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -5.870 5.621 -5.977 1.00 0.00 H new ATOM 0 HE ARG A 118 -7.131 5.669 -8.627 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -4.800 7.174 -6.444 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -3.860 7.892 -7.757 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -5.919 6.595 -10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -4.491 7.566 -9.934 1.00 0.00 H new