USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 628 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 104 CYS SG : rot -114:sc= -4.27! USER MOD Set 1.2: A 107 CYS SG : rot 118:sc= 1.2! USER MOD Set 1.3: A 120 HIS : no HD1:sc= -3.51! C(o=-8.9!,f=-29!) USER MOD Set 1.4: A 125 HIS : no HD1:sc= -2.28 K(o=-8.9,f=-23!) USER MOD Set 2.1: A 72 CYS SG : rot 156:sc= -1.08! USER MOD Set 2.2: A 75 CYS SG : rot -90:sc= -4.85! USER MOD Set 2.3: A 88 HIS : no HE2:sc= -0.801 K(o=-6.3,f=-28!) USER MOD Set 2.4: A 93 HIS : no HD1:sc= 0.418 K(o=-6.3,f=-19!) USER MOD Set 3.1: A 73 LYS NZ :NH3+ 177:sc= 0.932 (180deg=0) USER MOD Set 3.2: A 141 GLN : amide:sc= 0.477 K(o=1.4,f=-3.4) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0628 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.36 K(o=-1.4,f=-12!) USER MOD Single : A 79 THR OG1 : rot 160:sc= 0 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.076 F(o=-0.79!,f=-0.076) USER MOD Single : A 84 MET CE :methyl -164:sc= -0.166 (180deg=-0.529) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -88:sc= 1.34 USER MOD Single : A 100 SER OG : rot 30:sc= 0.0899 USER MOD Single : A 101 SER OG : rot 89:sc= -0.135 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.405 F(o=-2.2!,f=-0.41) USER MOD Single : A 111 THR OG1 : rot 64:sc= 1.45 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -4.26! C(o=-4.3!,f=-8.6!) USER MOD Single : A 123 LYS NZ :NH3+ 159:sc= 1.09 (180deg=0.736) USER MOD Single : A 124 TYR OH : rot -33:sc= -2.79! USER MOD Single : A 130 ASN :FLIP amide:sc= -0.511 F(o=-3.5!,f=-0.51) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl 154:sc= -1.25 (180deg=-2.27!) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.0043) USER MOD Single : A 140 ASN : amide:sc= 0.317 X(o=0.32,f=0) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 146 GLN : amide:sc= -1.02 X(o=-1,f=-0.55) USER MOD Single : A 147 THR OG1 : rot -158:sc= -3.17! USER MOD Single : A 149 ASN :FLIP amide:sc= -2.87! C(o=-4.8!,f=-2.9!) USER MOD Single : A 152 THR OG1 : rot -67:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 235 N VAL A 66 -4.643 5.393 -4.500 1.00 41.50 N ATOM 236 CA VAL A 66 -4.202 5.619 -3.135 1.00 42.53 C ATOM 237 C VAL A 66 -4.347 7.133 -2.723 1.00 73.35 C ATOM 238 O VAL A 66 -3.898 8.056 -3.431 1.00 15.34 O ATOM 239 CB VAL A 66 -2.726 5.121 -3.004 1.00 73.32 C ATOM 240 CG1 VAL A 66 -1.722 6.098 -3.571 1.00 1.41 C ATOM 241 CG2 VAL A 66 -2.367 4.685 -1.600 1.00 14.53 C ATOM 0 HA VAL A 66 -4.835 5.057 -2.448 1.00 42.53 H new ATOM 0 HB VAL A 66 -2.670 4.226 -3.624 1.00 73.32 H new ATOM 0 HG11 VAL A 66 -0.716 5.697 -3.451 1.00 1.41 H new ATOM 0 HG12 VAL A 66 -1.926 6.255 -4.630 1.00 1.41 H new ATOM 0 HG13 VAL A 66 -1.799 7.048 -3.042 1.00 1.41 H new ATOM 0 HG21 VAL A 66 -1.330 4.351 -1.577 1.00 14.53 H new ATOM 0 HG22 VAL A 66 -2.494 5.523 -0.915 1.00 14.53 H new ATOM 0 HG23 VAL A 66 -3.019 3.866 -1.295 1.00 14.53 H new ATOM 251 N GLU A 67 -5.018 7.369 -1.621 1.00 20.11 N ATOM 252 CA GLU A 67 -5.292 8.728 -1.173 1.00 71.41 C ATOM 253 C GLU A 67 -4.240 9.202 -0.184 1.00 32.14 C ATOM 254 O GLU A 67 -3.332 9.930 -0.554 1.00 23.40 O ATOM 255 CB GLU A 67 -6.694 8.775 -0.574 1.00 5.13 C ATOM 256 CG GLU A 67 -7.727 8.171 -1.500 1.00 53.13 C ATOM 257 CD GLU A 67 -9.088 8.019 -0.884 1.00 51.31 C ATOM 258 OE1 GLU A 67 -9.367 6.964 -0.292 1.00 32.05 O ATOM 259 OE2 GLU A 67 -9.924 8.920 -1.023 1.00 3.32 O ATOM 0 H GLU A 67 -5.388 6.640 -1.011 1.00 20.11 H new ATOM 0 HA GLU A 67 -5.247 9.409 -2.023 1.00 71.41 H new ATOM 0 HB2 GLU A 67 -6.701 8.239 0.375 1.00 5.13 H new ATOM 0 HB3 GLU A 67 -6.961 9.809 -0.358 1.00 5.13 H new ATOM 0 HG2 GLU A 67 -7.810 8.795 -2.390 1.00 53.13 H new ATOM 0 HG3 GLU A 67 -7.377 7.192 -1.828 1.00 53.13 H new ATOM 266 N GLY A 68 -4.318 8.742 1.044 1.00 13.14 N ATOM 267 CA GLY A 68 -3.349 9.174 2.031 1.00 30.25 C ATOM 268 C GLY A 68 -3.033 8.113 3.055 1.00 30.12 C ATOM 269 O GLY A 68 -2.192 8.311 3.930 1.00 0.43 O ATOM 0 H GLY A 68 -5.022 8.085 1.380 1.00 13.14 H new ATOM 0 HA2 GLY A 68 -2.429 9.467 1.524 1.00 30.25 H new ATOM 0 HA3 GLY A 68 -3.728 10.060 2.540 1.00 30.25 H new ATOM 273 N GLY A 69 -3.678 6.988 2.927 1.00 51.03 N ATOM 274 CA GLY A 69 -3.465 5.902 3.831 1.00 72.24 C ATOM 275 C GLY A 69 -2.866 4.709 3.139 1.00 22.22 C ATOM 276 O GLY A 69 -2.303 4.828 2.063 1.00 1.03 O ATOM 0 H GLY A 69 -4.363 6.802 2.195 1.00 51.03 H new ATOM 0 HA2 GLY A 69 -2.805 6.224 4.637 1.00 72.24 H new ATOM 0 HA3 GLY A 69 -4.413 5.619 4.289 1.00 72.24 H new ATOM 280 N TYR A 70 -3.047 3.556 3.699 1.00 32.50 N ATOM 281 CA TYR A 70 -2.445 2.365 3.157 1.00 2.23 C ATOM 282 C TYR A 70 -3.452 1.592 2.348 1.00 51.11 C ATOM 283 O TYR A 70 -4.447 1.096 2.878 1.00 23.40 O ATOM 284 CB TYR A 70 -1.848 1.525 4.288 1.00 3.13 C ATOM 285 CG TYR A 70 -1.075 2.381 5.256 1.00 74.40 C ATOM 286 CD1 TYR A 70 0.067 3.062 4.862 1.00 11.22 C ATOM 287 CD2 TYR A 70 -1.537 2.567 6.546 1.00 53.05 C ATOM 288 CE1 TYR A 70 0.714 3.907 5.730 1.00 4.35 C ATOM 289 CE2 TYR A 70 -0.893 3.391 7.414 1.00 25.42 C ATOM 290 CZ TYR A 70 0.226 4.066 7.006 1.00 22.42 C ATOM 291 OH TYR A 70 0.841 4.931 7.869 1.00 30.13 O ATOM 0 H TYR A 70 -3.609 3.406 4.537 1.00 32.50 H new ATOM 0 HA TYR A 70 -1.633 2.640 2.483 1.00 2.23 H new ATOM 0 HB2 TYR A 70 -2.646 1.004 4.817 1.00 3.13 H new ATOM 0 HB3 TYR A 70 -1.192 0.762 3.870 1.00 3.13 H new ATOM 0 HD1 TYR A 70 0.452 2.926 3.862 1.00 11.22 H new ATOM 0 HD2 TYR A 70 -2.427 2.047 6.870 1.00 53.05 H new ATOM 0 HE1 TYR A 70 1.598 4.442 5.414 1.00 4.35 H new ATOM 0 HE2 TYR A 70 -1.262 3.513 8.421 1.00 25.42 H new ATOM 0 HH TYR A 70 0.370 4.926 8.728 1.00 30.13 H new ATOM 301 N GLU A 71 -3.231 1.597 1.057 1.00 73.22 N ATOM 302 CA GLU A 71 -4.038 0.874 0.101 1.00 43.00 C ATOM 303 C GLU A 71 -3.565 -0.551 0.070 1.00 71.53 C ATOM 304 O GLU A 71 -2.394 -0.794 -0.155 1.00 73.44 O ATOM 305 CB GLU A 71 -3.853 1.496 -1.293 1.00 0.54 C ATOM 306 CG GLU A 71 -4.570 0.793 -2.438 1.00 32.33 C ATOM 307 CD GLU A 71 -4.055 1.235 -3.800 1.00 12.11 C ATOM 308 OE1 GLU A 71 -4.494 2.304 -4.314 1.00 42.04 O ATOM 309 OE2 GLU A 71 -3.204 0.518 -4.381 1.00 34.32 O ATOM 0 H GLU A 71 -2.465 2.117 0.629 1.00 73.22 H new ATOM 0 HA GLU A 71 -5.090 0.921 0.382 1.00 43.00 H new ATOM 0 HB2 GLU A 71 -4.196 2.530 -1.256 1.00 0.54 H new ATOM 0 HB3 GLU A 71 -2.787 1.522 -1.519 1.00 0.54 H new ATOM 0 HG2 GLU A 71 -4.443 -0.285 -2.336 1.00 32.33 H new ATOM 0 HG3 GLU A 71 -5.639 0.995 -2.373 1.00 32.33 H new ATOM 316 N CYS A 72 -4.443 -1.460 0.379 1.00 12.24 N ATOM 317 CA CYS A 72 -4.142 -2.875 0.243 1.00 25.35 C ATOM 318 C CYS A 72 -3.857 -3.236 -1.234 1.00 73.43 C ATOM 319 O CYS A 72 -4.505 -2.734 -2.138 1.00 24.43 O ATOM 320 CB CYS A 72 -5.345 -3.731 0.652 1.00 33.04 C ATOM 321 SG CYS A 72 -5.849 -3.838 2.420 1.00 34.24 S ATOM 0 H CYS A 72 -5.379 -1.257 0.729 1.00 12.24 H new ATOM 0 HA CYS A 72 -3.278 -3.069 0.878 1.00 25.35 H new ATOM 0 HB2 CYS A 72 -6.206 -3.366 0.092 1.00 33.04 H new ATOM 0 HB3 CYS A 72 -5.150 -4.747 0.310 1.00 33.04 H new ATOM 0 HG CYS A 72 -7.105 -4.164 2.494 1.00 34.24 H new ATOM 326 N LYS A 73 -2.911 -4.131 -1.460 1.00 74.44 N ATOM 327 CA LYS A 73 -2.697 -4.693 -2.791 1.00 72.52 C ATOM 328 C LYS A 73 -3.758 -5.773 -3.039 1.00 72.42 C ATOM 329 O LYS A 73 -4.007 -6.189 -4.158 1.00 61.32 O ATOM 330 CB LYS A 73 -1.322 -5.388 -2.827 1.00 13.12 C ATOM 331 CG LYS A 73 -0.938 -5.985 -4.183 1.00 12.24 C ATOM 332 CD LYS A 73 -0.201 -7.325 -4.049 1.00 43.43 C ATOM 333 CE LYS A 73 -1.132 -8.403 -3.496 1.00 1.41 C ATOM 334 NZ LYS A 73 -0.543 -9.768 -3.523 1.00 40.13 N ATOM 0 H LYS A 73 -2.278 -4.486 -0.744 1.00 74.44 H new ATOM 0 HA LYS A 73 -2.753 -3.901 -3.538 1.00 72.52 H new ATOM 0 HB2 LYS A 73 -0.559 -4.667 -2.534 1.00 13.12 H new ATOM 0 HB3 LYS A 73 -1.313 -6.182 -2.081 1.00 13.12 H new ATOM 0 HG2 LYS A 73 -1.838 -6.127 -4.781 1.00 12.24 H new ATOM 0 HG3 LYS A 73 -0.306 -5.279 -4.721 1.00 12.24 H new ATOM 0 HD2 LYS A 73 0.182 -7.633 -5.022 1.00 43.43 H new ATOM 0 HD3 LYS A 73 0.659 -7.208 -3.390 1.00 43.43 H new ATOM 0 HE2 LYS A 73 -1.397 -8.151 -2.469 1.00 1.41 H new ATOM 0 HE3 LYS A 73 -2.057 -8.404 -4.073 1.00 1.41 H new ATOM 0 HZ1 LYS A 73 -1.206 -10.441 -3.088 1.00 40.13 H new ATOM 0 HZ2 LYS A 73 -0.362 -10.048 -4.508 1.00 40.13 H new ATOM 0 HZ3 LYS A 73 0.351 -9.771 -2.992 1.00 40.13 H new ATOM 348 N TYR A 74 -4.394 -6.179 -1.963 1.00 72.31 N ATOM 349 CA TYR A 74 -5.201 -7.378 -1.939 1.00 52.22 C ATOM 350 C TYR A 74 -6.639 -7.065 -2.208 1.00 15.04 C ATOM 351 O TYR A 74 -7.389 -7.887 -2.720 1.00 32.31 O ATOM 352 CB TYR A 74 -5.081 -8.018 -0.558 1.00 75.30 C ATOM 353 CG TYR A 74 -3.729 -7.800 0.112 1.00 60.22 C ATOM 354 CD1 TYR A 74 -2.610 -8.473 -0.301 1.00 53.23 C ATOM 355 CD2 TYR A 74 -3.592 -6.892 1.156 1.00 0.10 C ATOM 356 CE1 TYR A 74 -1.388 -8.261 0.302 1.00 3.45 C ATOM 357 CE2 TYR A 74 -2.378 -6.674 1.764 1.00 74.21 C ATOM 358 CZ TYR A 74 -1.278 -7.364 1.334 1.00 42.43 C ATOM 359 OH TYR A 74 -0.059 -7.156 1.927 1.00 52.13 O ATOM 0 H TYR A 74 -4.365 -5.682 -1.073 1.00 72.31 H new ATOM 0 HA TYR A 74 -4.846 -8.057 -2.715 1.00 52.22 H new ATOM 0 HB2 TYR A 74 -5.863 -7.616 0.086 1.00 75.30 H new ATOM 0 HB3 TYR A 74 -5.261 -9.089 -0.648 1.00 75.30 H new ATOM 0 HD1 TYR A 74 -2.686 -9.182 -1.112 1.00 53.23 H new ATOM 0 HD2 TYR A 74 -4.459 -6.345 1.497 1.00 0.10 H new ATOM 0 HE1 TYR A 74 -0.517 -8.801 -0.038 1.00 3.45 H new ATOM 0 HE2 TYR A 74 -2.294 -5.964 2.574 1.00 74.21 H new ATOM 0 HH TYR A 74 -0.151 -6.490 2.640 1.00 52.13 H new ATOM 369 N CYS A 75 -6.990 -5.880 -1.889 1.00 1.31 N ATOM 370 CA CYS A 75 -8.338 -5.427 -1.960 1.00 22.34 C ATOM 371 C CYS A 75 -8.319 -3.953 -2.237 1.00 54.41 C ATOM 372 O CYS A 75 -7.345 -3.284 -1.888 1.00 42.53 O ATOM 373 CB CYS A 75 -9.042 -5.733 -0.619 1.00 61.04 C ATOM 374 SG CYS A 75 -8.280 -4.968 0.906 1.00 65.34 S ATOM 0 H CYS A 75 -6.334 -5.171 -1.561 1.00 1.31 H new ATOM 0 HA CYS A 75 -8.885 -5.933 -2.756 1.00 22.34 H new ATOM 0 HB2 CYS A 75 -10.076 -5.397 -0.691 1.00 61.04 H new ATOM 0 HB3 CYS A 75 -9.067 -6.814 -0.484 1.00 61.04 H new ATOM 0 HG CYS A 75 -7.392 -5.778 1.400 1.00 65.34 H new ATOM 379 N THR A 76 -9.344 -3.432 -2.853 1.00 24.00 N ATOM 380 CA THR A 76 -9.384 -2.026 -3.113 1.00 54.12 C ATOM 381 C THR A 76 -9.957 -1.305 -1.889 1.00 3.33 C ATOM 382 O THR A 76 -11.127 -0.910 -1.845 1.00 52.45 O ATOM 383 CB THR A 76 -10.183 -1.710 -4.395 1.00 30.43 C ATOM 384 OG1 THR A 76 -9.677 -2.534 -5.454 1.00 21.32 O ATOM 385 CG2 THR A 76 -10.017 -0.254 -4.798 1.00 2.21 C ATOM 0 H THR A 76 -10.155 -3.957 -3.181 1.00 24.00 H new ATOM 0 HA THR A 76 -8.371 -1.665 -3.289 1.00 54.12 H new ATOM 0 HB THR A 76 -11.240 -1.903 -4.209 1.00 30.43 H new ATOM 0 HG1 THR A 76 -10.174 -2.349 -6.278 1.00 21.32 H new ATOM 0 HG21 THR A 76 -10.591 -0.060 -5.704 1.00 2.21 H new ATOM 0 HG22 THR A 76 -10.378 0.389 -3.995 1.00 2.21 H new ATOM 0 HG23 THR A 76 -8.963 -0.046 -4.984 1.00 2.21 H new ATOM 393 N PHE A 77 -9.139 -1.238 -0.869 1.00 23.00 N ATOM 394 CA PHE A 77 -9.485 -0.633 0.380 1.00 13.12 C ATOM 395 C PHE A 77 -8.245 -0.028 0.978 1.00 61.33 C ATOM 396 O PHE A 77 -7.156 -0.601 0.874 1.00 13.31 O ATOM 397 CB PHE A 77 -10.095 -1.681 1.342 1.00 13.12 C ATOM 398 CG PHE A 77 -10.471 -1.134 2.701 1.00 2.53 C ATOM 399 CD1 PHE A 77 -11.625 -0.388 2.869 1.00 70.33 C ATOM 400 CD2 PHE A 77 -9.655 -1.354 3.805 1.00 13.24 C ATOM 401 CE1 PHE A 77 -11.962 0.122 4.109 1.00 10.44 C ATOM 402 CE2 PHE A 77 -9.987 -0.844 5.045 1.00 52.33 C ATOM 403 CZ PHE A 77 -11.142 -0.105 5.196 1.00 11.05 C ATOM 0 H PHE A 77 -8.191 -1.614 -0.891 1.00 23.00 H new ATOM 0 HA PHE A 77 -10.233 0.143 0.218 1.00 13.12 H new ATOM 0 HB2 PHE A 77 -10.983 -2.110 0.878 1.00 13.12 H new ATOM 0 HB3 PHE A 77 -9.381 -2.494 1.475 1.00 13.12 H new ATOM 0 HD1 PHE A 77 -12.269 -0.202 2.022 1.00 70.33 H new ATOM 0 HD2 PHE A 77 -8.749 -1.931 3.692 1.00 13.24 H new ATOM 0 HE1 PHE A 77 -12.868 0.698 4.227 1.00 10.44 H new ATOM 0 HE2 PHE A 77 -9.344 -1.023 5.894 1.00 52.33 H new ATOM 0 HZ PHE A 77 -11.405 0.296 6.164 1.00 11.05 H new ATOM 413 N GLN A 78 -8.404 1.099 1.580 1.00 0.30 N ATOM 414 CA GLN A 78 -7.336 1.804 2.187 1.00 52.40 C ATOM 415 C GLN A 78 -7.725 2.296 3.565 1.00 31.21 C ATOM 416 O GLN A 78 -8.879 2.647 3.810 1.00 23.31 O ATOM 417 CB GLN A 78 -6.879 2.974 1.283 1.00 32.13 C ATOM 418 CG GLN A 78 -6.408 4.200 2.044 1.00 43.43 C ATOM 419 CD GLN A 78 -5.710 5.220 1.197 1.00 42.11 C ATOM 420 OE1 GLN A 78 -5.889 6.417 1.376 1.00 44.12 O ATOM 421 NE2 GLN A 78 -4.760 4.786 0.483 1.00 33.24 N ATOM 0 H GLN A 78 -9.307 1.566 1.664 1.00 0.30 H new ATOM 0 HA GLN A 78 -6.496 1.120 2.307 1.00 52.40 H new ATOM 0 HB2 GLN A 78 -6.071 2.627 0.639 1.00 32.13 H new ATOM 0 HB3 GLN A 78 -7.705 3.259 0.632 1.00 32.13 H new ATOM 0 HG2 GLN A 78 -7.268 4.669 2.522 1.00 43.43 H new ATOM 0 HG3 GLN A 78 -5.734 3.883 2.840 1.00 43.43 H new ATOM 0 HE21 GLN A 78 -4.637 3.782 0.353 1.00 33.24 H new ATOM 0 HE22 GLN A 78 -4.117 5.440 0.037 1.00 33.24 H new ATOM 430 N THR A 79 -6.770 2.296 4.441 1.00 73.44 N ATOM 431 CA THR A 79 -6.921 2.855 5.745 1.00 42.42 C ATOM 432 C THR A 79 -5.602 3.534 6.140 1.00 51.54 C ATOM 433 O THR A 79 -4.535 2.955 6.002 1.00 44.31 O ATOM 434 CB THR A 79 -7.375 1.809 6.816 1.00 73.02 C ATOM 435 OG1 THR A 79 -7.525 2.445 8.092 1.00 34.01 O ATOM 436 CG2 THR A 79 -6.387 0.662 6.945 1.00 50.04 C ATOM 0 H THR A 79 -5.847 1.900 4.265 1.00 73.44 H new ATOM 0 HA THR A 79 -7.724 3.591 5.712 1.00 42.42 H new ATOM 0 HB THR A 79 -8.330 1.401 6.484 1.00 73.02 H new ATOM 0 HG1 THR A 79 -8.098 1.895 8.666 1.00 34.01 H new ATOM 0 HG21 THR A 79 -6.742 -0.041 7.699 1.00 50.04 H new ATOM 0 HG22 THR A 79 -6.296 0.150 5.987 1.00 50.04 H new ATOM 0 HG23 THR A 79 -5.413 1.052 7.242 1.00 50.04 H new ATOM 444 N PRO A 80 -5.646 4.822 6.475 1.00 2.04 N ATOM 445 CA PRO A 80 -4.471 5.559 6.953 1.00 21.20 C ATOM 446 C PRO A 80 -4.024 5.156 8.357 1.00 50.12 C ATOM 447 O PRO A 80 -2.994 5.621 8.857 1.00 72.35 O ATOM 448 CB PRO A 80 -4.900 7.020 6.902 1.00 1.34 C ATOM 449 CG PRO A 80 -6.387 6.995 6.916 1.00 62.30 C ATOM 450 CD PRO A 80 -6.812 5.693 6.300 1.00 73.44 C ATOM 0 HA PRO A 80 -3.599 5.346 6.335 1.00 21.20 H new ATOM 0 HB2 PRO A 80 -4.508 7.575 7.755 1.00 1.34 H new ATOM 0 HB3 PRO A 80 -4.524 7.509 6.004 1.00 1.34 H new ATOM 0 HG2 PRO A 80 -6.764 7.080 7.935 1.00 62.30 H new ATOM 0 HG3 PRO A 80 -6.792 7.837 6.355 1.00 62.30 H new ATOM 0 HD2 PRO A 80 -7.693 5.285 6.796 1.00 73.44 H new ATOM 0 HD3 PRO A 80 -7.066 5.814 5.247 1.00 73.44 H new ATOM 458 N ASP A 81 -4.786 4.318 8.997 1.00 4.34 N ATOM 459 CA ASP A 81 -4.401 3.805 10.290 1.00 73.41 C ATOM 460 C ASP A 81 -3.658 2.518 10.094 1.00 12.22 C ATOM 461 O ASP A 81 -4.228 1.548 9.609 1.00 22.34 O ATOM 462 CB ASP A 81 -5.603 3.560 11.206 1.00 45.42 C ATOM 463 CG ASP A 81 -6.236 4.815 11.751 1.00 22.01 C ATOM 464 OD1 ASP A 81 -5.792 5.308 12.817 1.00 14.05 O ATOM 465 OD2 ASP A 81 -7.227 5.299 11.168 1.00 23.40 O ATOM 0 H ASP A 81 -5.680 3.972 8.649 1.00 4.34 H new ATOM 0 HA ASP A 81 -3.773 4.554 10.773 1.00 73.41 H new ATOM 0 HB2 ASP A 81 -6.356 2.998 10.654 1.00 45.42 H new ATOM 0 HB3 ASP A 81 -5.287 2.935 12.041 1.00 45.42 H new ATOM 470 N LEU A 82 -2.385 2.516 10.445 1.00 12.50 N ATOM 471 CA LEU A 82 -1.529 1.361 10.333 1.00 62.53 C ATOM 472 C LEU A 82 -2.127 0.229 11.161 1.00 55.54 C ATOM 473 O LEU A 82 -2.178 -0.897 10.709 1.00 71.31 O ATOM 474 CB LEU A 82 -0.120 1.699 10.867 1.00 43.22 C ATOM 475 CG LEU A 82 1.091 0.929 10.266 1.00 42.32 C ATOM 476 CD1 LEU A 82 0.904 -0.568 10.294 1.00 43.33 C ATOM 477 CD2 LEU A 82 1.350 1.385 8.862 1.00 53.12 C ATOM 0 H LEU A 82 -1.913 3.337 10.823 1.00 12.50 H new ATOM 0 HA LEU A 82 -1.450 1.061 9.288 1.00 62.53 H new ATOM 0 HB2 LEU A 82 0.050 2.764 10.710 1.00 43.22 H new ATOM 0 HB3 LEU A 82 -0.122 1.531 11.944 1.00 43.22 H new ATOM 0 HG LEU A 82 1.952 1.157 10.894 1.00 42.32 H new ATOM 0 HD11 LEU A 82 1.780 -1.052 9.862 1.00 43.33 H new ATOM 0 HD12 LEU A 82 0.777 -0.900 11.325 1.00 43.33 H new ATOM 0 HD13 LEU A 82 0.020 -0.835 9.715 1.00 43.33 H new ATOM 0 HD21 LEU A 82 2.200 0.839 8.453 1.00 53.12 H new ATOM 0 HD22 LEU A 82 0.468 1.196 8.250 1.00 53.12 H new ATOM 0 HD23 LEU A 82 1.571 2.452 8.861 1.00 53.12 H new ATOM 489 N ASN A 83 -2.638 0.571 12.345 1.00 62.12 N ATOM 490 CA ASN A 83 -3.226 -0.380 13.266 1.00 2.54 C ATOM 491 C ASN A 83 -4.356 -1.102 12.577 1.00 35.01 C ATOM 492 O ASN A 83 -4.487 -2.306 12.690 1.00 63.10 O ATOM 493 CB ASN A 83 -3.800 0.359 14.472 1.00 65.24 C ATOM 494 CG ASN A 83 -4.042 -0.517 15.700 1.00 64.22 C ATOM 495 OD1 ASN A 83 -4.337 -1.772 15.511 1.00 12.02 O flip ATOM 496 ND2 ASN A 83 -3.964 -0.033 16.839 1.00 34.03 N flip ATOM 0 H ASN A 83 -2.651 1.532 12.688 1.00 62.12 H new ATOM 0 HA ASN A 83 -2.460 -1.085 13.588 1.00 2.54 H new ATOM 0 HB2 ASN A 83 -3.119 1.165 14.746 1.00 65.24 H new ATOM 0 HB3 ASN A 83 -4.743 0.823 14.182 1.00 65.24 H new ATOM 0 HD21 ASN A 83 -3.731 0.953 16.959 1.00 34.03 H new ATOM 0 HD22 ASN A 83 -4.132 -0.621 17.655 1.00 34.03 H new ATOM 503 N MET A 84 -5.155 -0.358 11.847 1.00 13.43 N ATOM 504 CA MET A 84 -6.285 -0.931 11.157 1.00 64.22 C ATOM 505 C MET A 84 -5.822 -1.657 9.950 1.00 33.23 C ATOM 506 O MET A 84 -6.363 -2.685 9.616 1.00 14.01 O ATOM 507 CB MET A 84 -7.301 0.122 10.762 1.00 34.32 C ATOM 508 CG MET A 84 -7.881 0.865 11.927 1.00 35.42 C ATOM 509 SD MET A 84 -8.713 -0.214 13.126 1.00 74.10 S ATOM 510 CE MET A 84 -9.937 -1.026 12.086 1.00 44.01 C ATOM 0 H MET A 84 -5.042 0.647 11.716 1.00 13.43 H new ATOM 0 HA MET A 84 -6.774 -1.623 11.843 1.00 64.22 H new ATOM 0 HB2 MET A 84 -6.829 0.835 10.086 1.00 34.32 H new ATOM 0 HB3 MET A 84 -8.109 -0.355 10.208 1.00 34.32 H new ATOM 0 HG2 MET A 84 -7.085 1.412 12.432 1.00 35.42 H new ATOM 0 HG3 MET A 84 -8.593 1.604 11.559 1.00 35.42 H new ATOM 0 HE1 MET A 84 -10.696 -1.493 12.714 1.00 44.01 H new ATOM 0 HE2 MET A 84 -10.408 -0.289 11.435 1.00 44.01 H new ATOM 0 HE3 MET A 84 -9.450 -1.789 11.478 1.00 44.01 H new ATOM 520 N PHE A 85 -4.804 -1.123 9.310 1.00 31.42 N ATOM 521 CA PHE A 85 -4.236 -1.739 8.133 1.00 45.12 C ATOM 522 C PHE A 85 -3.689 -3.112 8.450 1.00 4.04 C ATOM 523 O PHE A 85 -4.113 -4.087 7.866 1.00 10.42 O ATOM 524 CB PHE A 85 -3.134 -0.852 7.529 1.00 71.43 C ATOM 525 CG PHE A 85 -2.354 -1.530 6.427 1.00 0.40 C ATOM 526 CD1 PHE A 85 -2.878 -1.667 5.134 1.00 53.22 C ATOM 527 CD2 PHE A 85 -1.090 -2.040 6.691 1.00 10.44 C ATOM 528 CE1 PHE A 85 -2.149 -2.297 4.146 1.00 73.25 C ATOM 529 CE2 PHE A 85 -0.362 -2.671 5.703 1.00 61.40 C ATOM 530 CZ PHE A 85 -0.893 -2.799 4.430 1.00 71.12 C ATOM 0 H PHE A 85 -4.350 -0.254 9.590 1.00 31.42 H new ATOM 0 HA PHE A 85 -5.033 -1.849 7.398 1.00 45.12 H new ATOM 0 HB2 PHE A 85 -3.586 0.059 7.137 1.00 71.43 H new ATOM 0 HB3 PHE A 85 -2.446 -0.552 8.319 1.00 71.43 H new ATOM 0 HD1 PHE A 85 -3.860 -1.277 4.909 1.00 53.22 H new ATOM 0 HD2 PHE A 85 -0.671 -1.942 7.682 1.00 10.44 H new ATOM 0 HE1 PHE A 85 -2.559 -2.398 3.152 1.00 73.25 H new ATOM 0 HE2 PHE A 85 0.620 -3.064 5.922 1.00 61.40 H new ATOM 0 HZ PHE A 85 -0.323 -3.293 3.657 1.00 71.12 H new ATOM 540 N THR A 86 -2.814 -3.192 9.427 1.00 22.42 N ATOM 541 CA THR A 86 -2.197 -4.451 9.773 1.00 73.12 C ATOM 542 C THR A 86 -3.225 -5.408 10.364 1.00 43.23 C ATOM 543 O THR A 86 -3.120 -6.607 10.186 1.00 35.44 O ATOM 544 CB THR A 86 -0.936 -4.294 10.687 1.00 43.00 C ATOM 545 OG1 THR A 86 -0.370 -5.571 11.000 1.00 32.31 O ATOM 546 CG2 THR A 86 -1.253 -3.553 11.969 1.00 74.33 C ATOM 0 H THR A 86 -2.514 -2.400 9.995 1.00 22.42 H new ATOM 0 HA THR A 86 -1.822 -4.886 8.847 1.00 73.12 H new ATOM 0 HB THR A 86 -0.211 -3.706 10.124 1.00 43.00 H new ATOM 0 HG1 THR A 86 0.417 -5.449 11.571 1.00 32.31 H new ATOM 0 HG21 THR A 86 -0.349 -3.467 12.573 1.00 74.33 H new ATOM 0 HG22 THR A 86 -1.626 -2.557 11.731 1.00 74.33 H new ATOM 0 HG23 THR A 86 -2.012 -4.101 12.528 1.00 74.33 H new ATOM 554 N PHE A 87 -4.243 -4.861 10.997 1.00 12.45 N ATOM 555 CA PHE A 87 -5.331 -5.652 11.523 1.00 72.44 C ATOM 556 C PHE A 87 -6.136 -6.251 10.380 1.00 51.14 C ATOM 557 O PHE A 87 -6.294 -7.458 10.292 1.00 14.40 O ATOM 558 CB PHE A 87 -6.218 -4.800 12.441 1.00 62.33 C ATOM 559 CG PHE A 87 -7.578 -5.375 12.684 1.00 74.51 C ATOM 560 CD1 PHE A 87 -7.729 -6.552 13.386 1.00 51.22 C ATOM 561 CD2 PHE A 87 -8.705 -4.735 12.199 1.00 2.13 C ATOM 562 CE1 PHE A 87 -8.981 -7.084 13.609 1.00 21.32 C ATOM 563 CE2 PHE A 87 -9.964 -5.255 12.419 1.00 23.33 C ATOM 564 CZ PHE A 87 -10.104 -6.433 13.130 1.00 50.24 C ATOM 0 H PHE A 87 -4.337 -3.858 11.160 1.00 12.45 H new ATOM 0 HA PHE A 87 -4.923 -6.469 12.119 1.00 72.44 H new ATOM 0 HB2 PHE A 87 -5.713 -4.672 13.399 1.00 62.33 H new ATOM 0 HB3 PHE A 87 -6.328 -3.808 12.003 1.00 62.33 H new ATOM 0 HD1 PHE A 87 -6.856 -7.063 13.765 1.00 51.22 H new ATOM 0 HD2 PHE A 87 -8.598 -3.817 11.641 1.00 2.13 H new ATOM 0 HE1 PHE A 87 -9.085 -8.009 14.157 1.00 21.32 H new ATOM 0 HE2 PHE A 87 -10.836 -4.745 12.038 1.00 23.33 H new ATOM 0 HZ PHE A 87 -11.087 -6.843 13.311 1.00 50.24 H new ATOM 574 N HIS A 88 -6.605 -5.392 9.501 1.00 0.13 N ATOM 575 CA HIS A 88 -7.374 -5.769 8.328 1.00 12.01 C ATOM 576 C HIS A 88 -6.568 -6.725 7.445 1.00 20.21 C ATOM 577 O HIS A 88 -7.111 -7.613 6.808 1.00 51.01 O ATOM 578 CB HIS A 88 -7.813 -4.475 7.593 1.00 12.33 C ATOM 579 CG HIS A 88 -8.267 -4.612 6.170 1.00 22.02 C ATOM 580 ND1 HIS A 88 -9.563 -4.865 5.784 1.00 2.52 N ATOM 581 CD2 HIS A 88 -7.551 -4.488 5.034 1.00 14.22 C ATOM 582 CE1 HIS A 88 -9.612 -4.890 4.454 1.00 4.43 C ATOM 583 NE2 HIS A 88 -8.387 -4.659 3.924 1.00 12.12 N ATOM 0 H HIS A 88 -6.460 -4.386 9.582 1.00 0.13 H new ATOM 0 HA HIS A 88 -8.274 -6.315 8.611 1.00 12.01 H new ATOM 0 HB2 HIS A 88 -8.624 -4.022 8.163 1.00 12.33 H new ATOM 0 HB3 HIS A 88 -6.978 -3.775 7.615 1.00 12.33 H new ATOM 0 HD1 HIS A 88 -10.354 -5.009 6.412 1.00 2.52 H new ATOM 0 HD2 HIS A 88 -6.491 -4.287 4.987 1.00 14.22 H new ATOM 0 HE1 HIS A 88 -10.507 -5.070 3.876 1.00 4.43 H new ATOM 591 N VAL A 89 -5.284 -6.558 7.444 1.00 34.21 N ATOM 592 CA VAL A 89 -4.420 -7.435 6.724 1.00 31.34 C ATOM 593 C VAL A 89 -4.316 -8.761 7.434 1.00 14.23 C ATOM 594 O VAL A 89 -4.693 -9.750 6.880 1.00 74.25 O ATOM 595 CB VAL A 89 -3.030 -6.811 6.477 1.00 65.32 C ATOM 596 CG1 VAL A 89 -2.025 -7.846 5.967 1.00 52.05 C ATOM 597 CG2 VAL A 89 -3.146 -5.692 5.463 1.00 72.14 C ATOM 0 H VAL A 89 -4.805 -5.808 7.943 1.00 34.21 H new ATOM 0 HA VAL A 89 -4.859 -7.603 5.740 1.00 31.34 H new ATOM 0 HB VAL A 89 -2.668 -6.425 7.430 1.00 65.32 H new ATOM 0 HG11 VAL A 89 -1.059 -7.367 5.806 1.00 52.05 H new ATOM 0 HG12 VAL A 89 -1.917 -8.642 6.704 1.00 52.05 H new ATOM 0 HG13 VAL A 89 -2.382 -8.268 5.028 1.00 52.05 H new ATOM 0 HG21 VAL A 89 -2.163 -5.254 5.291 1.00 72.14 H new ATOM 0 HG22 VAL A 89 -3.535 -6.089 4.526 1.00 72.14 H new ATOM 0 HG23 VAL A 89 -3.823 -4.927 5.842 1.00 72.14 H new ATOM 607 N ASP A 90 -3.933 -8.751 8.696 1.00 40.52 N ATOM 608 CA ASP A 90 -3.706 -9.995 9.443 1.00 53.33 C ATOM 609 C ASP A 90 -4.990 -10.808 9.553 1.00 54.14 C ATOM 610 O ASP A 90 -4.971 -12.040 9.615 1.00 74.23 O ATOM 611 CB ASP A 90 -3.139 -9.688 10.831 1.00 44.03 C ATOM 612 CG ASP A 90 -2.866 -10.924 11.650 1.00 71.53 C ATOM 613 OD1 ASP A 90 -1.818 -11.582 11.435 1.00 54.04 O ATOM 614 OD2 ASP A 90 -3.670 -11.246 12.536 1.00 24.45 O ATOM 0 H ASP A 90 -3.770 -7.900 9.235 1.00 40.52 H new ATOM 0 HA ASP A 90 -2.977 -10.593 8.896 1.00 53.33 H new ATOM 0 HB2 ASP A 90 -2.214 -9.122 10.721 1.00 44.03 H new ATOM 0 HB3 ASP A 90 -3.841 -9.051 11.370 1.00 44.03 H new ATOM 619 N SER A 91 -6.093 -10.117 9.505 1.00 34.24 N ATOM 620 CA SER A 91 -7.375 -10.737 9.603 1.00 10.14 C ATOM 621 C SER A 91 -7.873 -11.226 8.235 1.00 31.12 C ATOM 622 O SER A 91 -8.276 -12.392 8.089 1.00 60.31 O ATOM 623 CB SER A 91 -8.378 -9.750 10.218 1.00 25.41 C ATOM 624 OG SER A 91 -9.654 -10.341 10.443 1.00 50.23 O ATOM 0 H SER A 91 -6.124 -9.103 9.396 1.00 34.24 H new ATOM 0 HA SER A 91 -7.284 -11.611 10.247 1.00 10.14 H new ATOM 0 HB2 SER A 91 -7.983 -9.376 11.162 1.00 25.41 H new ATOM 0 HB3 SER A 91 -8.490 -8.891 9.557 1.00 25.41 H new ATOM 0 HG SER A 91 -10.203 -10.250 9.636 1.00 50.23 H new ATOM 630 N GLU A 92 -7.815 -10.377 7.229 1.00 60.55 N ATOM 631 CA GLU A 92 -8.479 -10.703 5.970 1.00 62.32 C ATOM 632 C GLU A 92 -7.521 -11.270 4.921 1.00 21.50 C ATOM 633 O GLU A 92 -7.903 -12.142 4.116 1.00 2.24 O ATOM 634 CB GLU A 92 -9.222 -9.481 5.415 1.00 13.32 C ATOM 635 CG GLU A 92 -10.177 -8.807 6.414 1.00 0.20 C ATOM 636 CD GLU A 92 -11.226 -9.739 6.980 1.00 10.01 C ATOM 637 OE1 GLU A 92 -12.212 -10.042 6.278 1.00 23.21 O ATOM 638 OE2 GLU A 92 -11.085 -10.190 8.151 1.00 71.42 O ATOM 0 H GLU A 92 -7.331 -9.479 7.248 1.00 60.55 H new ATOM 0 HA GLU A 92 -9.201 -11.488 6.194 1.00 62.32 H new ATOM 0 HB2 GLU A 92 -8.489 -8.747 5.081 1.00 13.32 H new ATOM 0 HB3 GLU A 92 -9.791 -9.786 4.537 1.00 13.32 H new ATOM 0 HG2 GLU A 92 -9.594 -8.390 7.235 1.00 0.20 H new ATOM 0 HG3 GLU A 92 -10.674 -7.972 5.920 1.00 0.20 H new ATOM 645 N HIS A 93 -6.291 -10.810 4.936 1.00 73.25 N ATOM 646 CA HIS A 93 -5.282 -11.231 3.949 1.00 61.30 C ATOM 647 C HIS A 93 -3.912 -11.338 4.633 1.00 74.35 C ATOM 648 O HIS A 93 -3.021 -10.551 4.334 1.00 73.42 O ATOM 649 CB HIS A 93 -5.159 -10.219 2.751 1.00 0.40 C ATOM 650 CG HIS A 93 -6.143 -9.058 2.711 1.00 42.44 C ATOM 651 ND1 HIS A 93 -7.374 -9.116 2.099 1.00 32.43 N ATOM 652 CD2 HIS A 93 -6.014 -7.775 3.167 1.00 42.32 C ATOM 653 CE1 HIS A 93 -7.950 -7.926 2.184 1.00 2.50 C ATOM 654 NE2 HIS A 93 -7.160 -7.042 2.828 1.00 60.33 N ATOM 0 H HIS A 93 -5.948 -10.137 5.622 1.00 73.25 H new ATOM 0 HA HIS A 93 -5.602 -12.194 3.552 1.00 61.30 H new ATOM 0 HB2 HIS A 93 -4.150 -9.806 2.761 1.00 0.40 H new ATOM 0 HB3 HIS A 93 -5.263 -10.781 1.823 1.00 0.40 H new ATOM 0 HD2 HIS A 93 -5.162 -7.387 3.705 1.00 42.32 H new ATOM 0 HE1 HIS A 93 -8.928 -7.693 1.788 1.00 2.50 H new ATOM 0 HE2 HIS A 93 -7.353 -6.060 3.024 1.00 60.33 H new ATOM 755 N SER A 100 4.105 -9.786 -8.903 1.00 23.32 N ATOM 756 CA SER A 100 4.893 -8.578 -8.747 1.00 3.34 C ATOM 757 C SER A 100 4.057 -7.438 -8.183 1.00 2.22 C ATOM 758 O SER A 100 2.921 -7.225 -8.601 1.00 2.53 O ATOM 759 CB SER A 100 5.498 -8.169 -10.089 1.00 40.45 C ATOM 760 OG SER A 100 6.301 -9.219 -10.636 1.00 4.10 O ATOM 0 HA SER A 100 5.694 -8.790 -8.039 1.00 3.34 H new ATOM 0 HB2 SER A 100 4.701 -7.915 -10.788 1.00 40.45 H new ATOM 0 HB3 SER A 100 6.105 -7.273 -9.959 1.00 40.45 H new ATOM 0 HG SER A 100 5.949 -10.086 -10.344 1.00 4.10 H new ATOM 766 N SER A 101 4.609 -6.747 -7.218 1.00 4.44 N ATOM 767 CA SER A 101 4.004 -5.601 -6.608 1.00 11.40 C ATOM 768 C SER A 101 5.089 -4.900 -5.820 1.00 43.51 C ATOM 769 O SER A 101 6.220 -5.420 -5.733 1.00 73.32 O ATOM 770 CB SER A 101 2.817 -6.018 -5.707 1.00 30.31 C ATOM 771 OG SER A 101 2.213 -4.910 -5.075 1.00 50.24 O ATOM 0 H SER A 101 5.522 -6.978 -6.826 1.00 4.44 H new ATOM 0 HA SER A 101 3.591 -4.928 -7.359 1.00 11.40 H new ATOM 0 HB2 SER A 101 2.073 -6.541 -6.308 1.00 30.31 H new ATOM 0 HB3 SER A 101 3.167 -6.720 -4.950 1.00 30.31 H new ATOM 0 HG SER A 101 1.513 -4.544 -5.655 1.00 50.24 H new ATOM 777 N TYR A 102 4.774 -3.767 -5.273 1.00 41.11 N ATOM 778 CA TYR A 102 5.701 -2.976 -4.525 1.00 24.14 C ATOM 779 C TYR A 102 5.148 -2.724 -3.151 1.00 24.33 C ATOM 780 O TYR A 102 3.931 -2.565 -2.977 1.00 72.23 O ATOM 781 CB TYR A 102 5.951 -1.635 -5.179 1.00 14.12 C ATOM 782 CG TYR A 102 6.874 -1.567 -6.389 1.00 70.43 C ATOM 783 CD1 TYR A 102 7.010 -2.613 -7.290 1.00 53.42 C ATOM 784 CD2 TYR A 102 7.585 -0.402 -6.636 1.00 54.11 C ATOM 785 CE1 TYR A 102 7.824 -2.498 -8.399 1.00 45.34 C ATOM 786 CE2 TYR A 102 8.407 -0.283 -7.734 1.00 50.54 C ATOM 787 CZ TYR A 102 8.521 -1.331 -8.613 1.00 43.04 C ATOM 788 OH TYR A 102 9.318 -1.205 -9.736 1.00 11.34 O ATOM 0 H TYR A 102 3.842 -3.357 -5.336 1.00 41.11 H new ATOM 0 HA TYR A 102 6.640 -3.528 -4.480 1.00 24.14 H new ATOM 0 HB2 TYR A 102 4.985 -1.229 -5.478 1.00 14.12 H new ATOM 0 HB3 TYR A 102 6.355 -0.967 -4.418 1.00 14.12 H new ATOM 0 HD1 TYR A 102 6.470 -3.533 -7.121 1.00 53.42 H new ATOM 0 HD2 TYR A 102 7.492 0.429 -5.953 1.00 54.11 H new ATOM 0 HE1 TYR A 102 7.913 -3.319 -9.095 1.00 45.34 H new ATOM 0 HE2 TYR A 102 8.959 0.630 -7.903 1.00 50.54 H new ATOM 0 HH TYR A 102 9.741 -0.321 -9.740 1.00 11.34 H new ATOM 798 N VAL A 103 6.017 -2.674 -2.192 1.00 42.15 N ATOM 799 CA VAL A 103 5.642 -2.448 -0.830 1.00 31.21 C ATOM 800 C VAL A 103 6.552 -1.388 -0.218 1.00 44.42 C ATOM 801 O VAL A 103 7.751 -1.377 -0.448 1.00 34.41 O ATOM 802 CB VAL A 103 5.713 -3.793 -0.015 1.00 55.11 C ATOM 803 CG1 VAL A 103 7.068 -4.358 -0.021 1.00 75.23 C ATOM 804 CG2 VAL A 103 5.270 -3.658 1.403 1.00 55.11 C ATOM 0 H VAL A 103 7.020 -2.790 -2.333 1.00 42.15 H new ATOM 0 HA VAL A 103 4.614 -2.087 -0.792 1.00 31.21 H new ATOM 0 HB VAL A 103 5.020 -4.461 -0.527 1.00 55.11 H new ATOM 0 HG11 VAL A 103 7.078 -5.286 0.551 1.00 75.23 H new ATOM 0 HG12 VAL A 103 7.373 -4.562 -1.048 1.00 75.23 H new ATOM 0 HG13 VAL A 103 7.761 -3.647 0.429 1.00 75.23 H new ATOM 0 HG21 VAL A 103 5.346 -4.624 1.902 1.00 55.11 H new ATOM 0 HG22 VAL A 103 5.904 -2.934 1.915 1.00 55.11 H new ATOM 0 HG23 VAL A 103 4.235 -3.316 1.430 1.00 55.11 H new ATOM 814 N CYS A 104 5.986 -0.473 0.515 1.00 21.54 N ATOM 815 CA CYS A 104 6.788 0.502 1.225 1.00 13.14 C ATOM 816 C CYS A 104 7.259 -0.208 2.428 1.00 72.51 C ATOM 817 O CYS A 104 6.480 -0.431 3.293 1.00 22.25 O ATOM 818 CB CYS A 104 5.921 1.735 1.623 1.00 24.10 C ATOM 819 SG CYS A 104 6.662 3.014 2.804 1.00 24.12 S ATOM 0 H CYS A 104 4.979 -0.375 0.641 1.00 21.54 H new ATOM 0 HA CYS A 104 7.611 0.881 0.620 1.00 13.14 H new ATOM 0 HB2 CYS A 104 5.641 2.253 0.706 1.00 24.10 H new ATOM 0 HB3 CYS A 104 5.001 1.362 2.073 1.00 24.10 H new ATOM 0 HG CYS A 104 6.001 3.005 3.923 1.00 24.12 H new ATOM 824 N VAL A 105 8.507 -0.640 2.441 1.00 3.14 N ATOM 825 CA VAL A 105 9.081 -1.395 3.568 1.00 14.15 C ATOM 826 C VAL A 105 8.914 -0.632 4.862 1.00 72.32 C ATOM 827 O VAL A 105 8.681 -1.216 5.918 1.00 62.42 O ATOM 828 CB VAL A 105 10.581 -1.660 3.385 1.00 33.43 C ATOM 829 CG1 VAL A 105 10.900 -3.072 3.643 1.00 70.21 C ATOM 830 CG2 VAL A 105 11.064 -1.271 2.028 1.00 55.03 C ATOM 0 H VAL A 105 9.162 -0.483 1.675 1.00 3.14 H new ATOM 0 HA VAL A 105 8.545 -2.343 3.600 1.00 14.15 H new ATOM 0 HB VAL A 105 11.099 -1.036 4.113 1.00 33.43 H new ATOM 0 HG11 VAL A 105 11.969 -3.234 3.507 1.00 70.21 H new ATOM 0 HG12 VAL A 105 10.622 -3.327 4.666 1.00 70.21 H new ATOM 0 HG13 VAL A 105 10.346 -3.703 2.948 1.00 70.21 H new ATOM 0 HG21 VAL A 105 12.131 -1.478 1.948 1.00 55.03 H new ATOM 0 HG22 VAL A 105 10.526 -1.843 1.272 1.00 55.03 H new ATOM 0 HG23 VAL A 105 10.888 -0.207 1.870 1.00 55.03 H new ATOM 840 N GLU A 106 8.972 0.682 4.737 1.00 3.43 N ATOM 841 CA GLU A 106 8.854 1.602 5.848 1.00 32.21 C ATOM 842 C GLU A 106 7.524 1.395 6.551 1.00 22.24 C ATOM 843 O GLU A 106 7.443 1.394 7.772 1.00 51.10 O ATOM 844 CB GLU A 106 8.923 3.046 5.336 1.00 24.33 C ATOM 845 CG GLU A 106 10.071 3.327 4.367 1.00 54.12 C ATOM 846 CD GLU A 106 11.448 3.209 4.978 1.00 11.14 C ATOM 847 OE1 GLU A 106 11.636 2.413 5.930 1.00 22.21 O ATOM 848 OE2 GLU A 106 12.365 3.916 4.503 1.00 20.02 O ATOM 0 H GLU A 106 9.106 1.147 3.839 1.00 3.43 H new ATOM 0 HA GLU A 106 9.672 1.417 6.545 1.00 32.21 H new ATOM 0 HB2 GLU A 106 7.982 3.287 4.842 1.00 24.33 H new ATOM 0 HB3 GLU A 106 9.015 3.716 6.191 1.00 24.33 H new ATOM 0 HG2 GLU A 106 9.999 2.635 3.528 1.00 54.12 H new ATOM 0 HG3 GLU A 106 9.951 4.332 3.963 1.00 54.12 H new ATOM 855 N CYS A 107 6.490 1.191 5.759 1.00 40.22 N ATOM 856 CA CYS A 107 5.128 0.994 6.310 1.00 32.14 C ATOM 857 C CYS A 107 4.736 -0.489 6.272 1.00 53.11 C ATOM 858 O CYS A 107 3.762 -0.906 6.884 1.00 61.42 O ATOM 859 CB CYS A 107 4.141 1.765 5.447 1.00 53.23 C ATOM 860 SG CYS A 107 4.676 3.468 5.035 1.00 11.12 S ATOM 0 H CYS A 107 6.546 1.154 4.741 1.00 40.22 H new ATOM 0 HA CYS A 107 5.113 1.344 7.342 1.00 32.14 H new ATOM 0 HB2 CYS A 107 3.977 1.214 4.521 1.00 53.23 H new ATOM 0 HB3 CYS A 107 3.183 1.812 5.964 1.00 53.23 H new ATOM 0 HG CYS A 107 4.812 3.581 3.747 1.00 11.12 H new ATOM 865 N ASN A 108 5.521 -1.235 5.522 1.00 35.34 N ATOM 866 CA ASN A 108 5.298 -2.641 5.172 1.00 74.14 C ATOM 867 C ASN A 108 3.925 -2.794 4.525 1.00 54.20 C ATOM 868 O ASN A 108 3.189 -3.747 4.786 1.00 53.11 O ATOM 869 CB ASN A 108 5.432 -3.568 6.360 1.00 43.02 C ATOM 870 CG ASN A 108 6.043 -4.872 5.998 1.00 65.33 C ATOM 871 OD1 ASN A 108 6.969 -4.824 5.155 1.00 22.21 O flip ATOM 872 ND2 ASN A 108 5.702 -5.916 6.526 1.00 65.23 N flip ATOM 0 H ASN A 108 6.380 -0.866 5.114 1.00 35.34 H new ATOM 0 HA ASN A 108 6.075 -2.931 4.465 1.00 74.14 H new ATOM 0 HB2 ASN A 108 6.039 -3.086 7.126 1.00 43.02 H new ATOM 0 HB3 ASN A 108 4.448 -3.740 6.795 1.00 43.02 H new ATOM 0 HD21 ASN A 108 4.944 -5.919 7.208 1.00 65.23 H new ATOM 0 HD22 ASN A 108 6.175 -6.787 6.286 1.00 65.23 H new ATOM 879 N PHE A 109 3.639 -1.909 3.585 1.00 43.35 N ATOM 880 CA PHE A 109 2.325 -1.863 3.001 1.00 12.51 C ATOM 881 C PHE A 109 2.413 -2.132 1.508 1.00 20.33 C ATOM 882 O PHE A 109 3.183 -1.466 0.787 1.00 72.44 O ATOM 883 CB PHE A 109 1.584 -0.514 3.319 1.00 61.03 C ATOM 884 CG PHE A 109 1.428 0.475 2.166 1.00 60.13 C ATOM 885 CD1 PHE A 109 0.340 0.394 1.318 1.00 21.32 C ATOM 886 CD2 PHE A 109 2.365 1.465 1.935 1.00 22.23 C ATOM 887 CE1 PHE A 109 0.190 1.286 0.272 1.00 64.45 C ATOM 888 CE2 PHE A 109 2.213 2.356 0.879 1.00 45.32 C ATOM 889 CZ PHE A 109 1.128 2.262 0.057 1.00 44.30 C ATOM 0 H PHE A 109 4.297 -1.222 3.218 1.00 43.35 H new ATOM 0 HA PHE A 109 1.720 -2.649 3.454 1.00 12.51 H new ATOM 0 HB2 PHE A 109 0.590 -0.753 3.698 1.00 61.03 H new ATOM 0 HB3 PHE A 109 2.120 -0.014 4.125 1.00 61.03 H new ATOM 0 HD1 PHE A 109 -0.402 -0.375 1.474 1.00 21.32 H new ATOM 0 HD2 PHE A 109 3.225 1.547 2.583 1.00 22.23 H new ATOM 0 HE1 PHE A 109 -0.669 1.213 -0.378 1.00 64.45 H new ATOM 0 HE2 PHE A 109 2.954 3.123 0.709 1.00 45.32 H new ATOM 0 HZ PHE A 109 1.008 2.956 -0.762 1.00 44.30 H new ATOM 899 N LEU A 110 1.682 -3.115 1.069 1.00 62.43 N ATOM 900 CA LEU A 110 1.648 -3.510 -0.322 1.00 43.50 C ATOM 901 C LEU A 110 0.487 -2.846 -0.986 1.00 31.41 C ATOM 902 O LEU A 110 -0.610 -2.901 -0.457 1.00 72.14 O ATOM 903 CB LEU A 110 1.474 -5.013 -0.446 1.00 50.44 C ATOM 904 CG LEU A 110 2.708 -5.863 -0.683 1.00 41.24 C ATOM 905 CD1 LEU A 110 2.306 -7.310 -0.565 1.00 71.31 C ATOM 906 CD2 LEU A 110 3.268 -5.604 -2.087 1.00 23.53 C ATOM 0 H LEU A 110 1.081 -3.678 1.671 1.00 62.43 H new ATOM 0 HA LEU A 110 2.586 -3.216 -0.792 1.00 43.50 H new ATOM 0 HB2 LEU A 110 0.996 -5.369 0.467 1.00 50.44 H new ATOM 0 HB3 LEU A 110 0.779 -5.201 -1.264 1.00 50.44 H new ATOM 0 HG LEU A 110 3.477 -5.614 0.049 1.00 41.24 H new ATOM 0 HD11 LEU A 110 3.177 -7.944 -0.731 1.00 71.31 H new ATOM 0 HD12 LEU A 110 1.906 -7.496 0.432 1.00 71.31 H new ATOM 0 HD13 LEU A 110 1.544 -7.538 -1.310 1.00 71.31 H new ATOM 0 HD21 LEU A 110 4.153 -6.220 -2.245 1.00 23.53 H new ATOM 0 HD22 LEU A 110 2.513 -5.856 -2.832 1.00 23.53 H new ATOM 0 HD23 LEU A 110 3.536 -4.552 -2.183 1.00 23.53 H new ATOM 918 N THR A 111 0.715 -2.290 -2.140 1.00 3.31 N ATOM 919 CA THR A 111 -0.304 -1.562 -2.882 1.00 53.11 C ATOM 920 C THR A 111 -0.468 -2.167 -4.263 1.00 34.35 C ATOM 921 O THR A 111 0.417 -2.886 -4.742 1.00 22.02 O ATOM 922 CB THR A 111 0.061 -0.045 -2.956 1.00 40.05 C ATOM 923 OG1 THR A 111 -0.627 0.657 -4.017 1.00 31.42 O ATOM 924 CG2 THR A 111 1.559 0.144 -3.075 1.00 5.45 C ATOM 0 H THR A 111 1.621 -2.323 -2.608 1.00 3.31 H new ATOM 0 HA THR A 111 -1.259 -1.645 -2.363 1.00 53.11 H new ATOM 0 HB THR A 111 -0.281 0.397 -2.020 1.00 40.05 H new ATOM 0 HG1 THR A 111 -1.591 0.649 -3.843 1.00 31.42 H new ATOM 0 HG21 THR A 111 1.789 1.208 -3.125 1.00 5.45 H new ATOM 0 HG22 THR A 111 2.051 -0.293 -2.206 1.00 5.45 H new ATOM 0 HG23 THR A 111 1.917 -0.347 -3.980 1.00 5.45 H new ATOM 932 N LYS A 112 -1.582 -1.908 -4.909 1.00 32.22 N ATOM 933 CA LYS A 112 -1.815 -2.497 -6.192 1.00 23.40 C ATOM 934 C LYS A 112 -1.486 -1.514 -7.310 1.00 2.32 C ATOM 935 O LYS A 112 -1.811 -1.748 -8.488 1.00 1.14 O ATOM 936 CB LYS A 112 -3.239 -3.083 -6.289 1.00 51.13 C ATOM 937 CG LYS A 112 -4.388 -2.080 -6.256 1.00 63.20 C ATOM 938 CD LYS A 112 -5.734 -2.784 -6.016 1.00 23.31 C ATOM 939 CE LYS A 112 -5.999 -3.933 -7.002 1.00 0.11 C ATOM 940 NZ LYS A 112 -6.104 -3.487 -8.408 1.00 11.11 N ATOM 0 H LYS A 112 -2.327 -1.301 -4.567 1.00 32.22 H new ATOM 0 HA LYS A 112 -1.136 -3.341 -6.317 1.00 23.40 H new ATOM 0 HB2 LYS A 112 -3.311 -3.655 -7.214 1.00 51.13 H new ATOM 0 HB3 LYS A 112 -3.376 -3.787 -5.468 1.00 51.13 H new ATOM 0 HG2 LYS A 112 -4.212 -1.347 -5.468 1.00 63.20 H new ATOM 0 HG3 LYS A 112 -4.424 -1.533 -7.198 1.00 63.20 H new ATOM 0 HD2 LYS A 112 -5.757 -3.174 -4.998 1.00 23.31 H new ATOM 0 HD3 LYS A 112 -6.539 -2.053 -6.095 1.00 23.31 H new ATOM 0 HE2 LYS A 112 -5.196 -4.665 -6.920 1.00 0.11 H new ATOM 0 HE3 LYS A 112 -6.922 -4.439 -6.719 1.00 0.11 H new ATOM 0 HZ1 LYS A 112 -6.283 -4.308 -9.020 1.00 11.11 H new ATOM 0 HZ2 LYS A 112 -6.888 -2.810 -8.500 1.00 11.11 H new ATOM 0 HZ3 LYS A 112 -5.215 -3.029 -8.694 1.00 11.11 H new ATOM 954 N ARG A 113 -0.814 -0.427 -6.949 1.00 61.02 N ATOM 955 CA ARG A 113 -0.334 0.538 -7.911 1.00 73.35 C ATOM 956 C ARG A 113 1.055 1.032 -7.536 1.00 0.23 C ATOM 957 O ARG A 113 1.347 1.278 -6.373 1.00 54.42 O ATOM 958 CB ARG A 113 -1.288 1.721 -8.084 1.00 32.14 C ATOM 959 CG ARG A 113 -1.584 2.506 -6.816 1.00 5.30 C ATOM 960 CD ARG A 113 -2.334 3.782 -7.139 1.00 33.44 C ATOM 961 NE ARG A 113 -3.573 3.545 -7.896 1.00 13.33 N ATOM 962 CZ ARG A 113 -3.806 3.992 -9.155 1.00 52.42 C ATOM 963 NH1 ARG A 113 -2.801 4.397 -9.926 1.00 21.44 N ATOM 964 NH2 ARG A 113 -5.036 3.959 -9.664 1.00 51.44 N ATOM 0 H ARG A 113 -0.591 -0.197 -5.981 1.00 61.02 H new ATOM 0 HA ARG A 113 -0.283 0.022 -8.870 1.00 73.35 H new ATOM 0 HB2 ARG A 113 -0.866 2.402 -8.823 1.00 32.14 H new ATOM 0 HB3 ARG A 113 -2.229 1.351 -8.491 1.00 32.14 H new ATOM 0 HG2 ARG A 113 -2.174 1.895 -6.133 1.00 5.30 H new ATOM 0 HG3 ARG A 113 -0.652 2.746 -6.305 1.00 5.30 H new ATOM 0 HD2 ARG A 113 -2.575 4.300 -6.211 1.00 33.44 H new ATOM 0 HD3 ARG A 113 -1.685 4.443 -7.713 1.00 33.44 H new ATOM 0 HE ARG A 113 -4.310 3.006 -7.441 1.00 13.33 H new ATOM 0 HH11 ARG A 113 -1.845 4.373 -9.572 1.00 21.44 H new ATOM 0 HH12 ARG A 113 -2.986 4.732 -10.872 1.00 21.44 H new ATOM 0 HH21 ARG A 113 -5.809 3.596 -9.106 1.00 51.44 H new ATOM 0 HH22 ARG A 113 -5.205 4.297 -10.612 1.00 51.44 H new ATOM 978 N TYR A 114 1.898 1.204 -8.538 1.00 35.43 N ATOM 979 CA TYR A 114 3.281 1.648 -8.341 1.00 70.40 C ATOM 980 C TYR A 114 3.320 3.089 -7.803 1.00 43.41 C ATOM 981 O TYR A 114 4.262 3.488 -7.110 1.00 51.45 O ATOM 982 CB TYR A 114 4.070 1.559 -9.673 1.00 25.32 C ATOM 983 CG TYR A 114 3.568 2.506 -10.757 1.00 71.14 C ATOM 984 CD1 TYR A 114 2.521 2.151 -11.599 1.00 74.25 C ATOM 985 CD2 TYR A 114 4.131 3.767 -10.911 1.00 33.24 C ATOM 986 CE1 TYR A 114 2.056 3.027 -12.562 1.00 75.33 C ATOM 987 CE2 TYR A 114 3.668 4.644 -11.859 1.00 5.15 C ATOM 988 CZ TYR A 114 2.632 4.274 -12.685 1.00 21.23 C ATOM 989 OH TYR A 114 2.161 5.160 -13.632 1.00 34.01 O ATOM 0 H TYR A 114 1.651 1.042 -9.514 1.00 35.43 H new ATOM 0 HA TYR A 114 3.748 0.991 -7.607 1.00 70.40 H new ATOM 0 HB2 TYR A 114 5.120 1.773 -9.476 1.00 25.32 H new ATOM 0 HB3 TYR A 114 4.018 0.536 -10.046 1.00 25.32 H new ATOM 0 HD1 TYR A 114 2.064 1.177 -11.500 1.00 74.25 H new ATOM 0 HD2 TYR A 114 4.950 4.063 -10.272 1.00 33.24 H new ATOM 0 HE1 TYR A 114 1.246 2.736 -13.215 1.00 75.33 H new ATOM 0 HE2 TYR A 114 4.116 5.622 -11.957 1.00 5.15 H new ATOM 0 HH TYR A 114 2.676 5.993 -13.585 1.00 34.01 H new ATOM 999 N ASP A 115 2.262 3.846 -8.114 1.00 14.35 N ATOM 1000 CA ASP A 115 2.144 5.262 -7.754 1.00 14.31 C ATOM 1001 C ASP A 115 2.273 5.442 -6.293 1.00 40.42 C ATOM 1002 O ASP A 115 2.996 6.299 -5.846 1.00 31.20 O ATOM 1003 CB ASP A 115 0.784 5.850 -8.139 1.00 32.42 C ATOM 1004 CG ASP A 115 0.388 5.654 -9.564 1.00 11.33 C ATOM 1005 OD1 ASP A 115 -0.126 4.560 -9.893 1.00 24.52 O ATOM 1006 OD2 ASP A 115 0.537 6.585 -10.363 1.00 72.23 O ATOM 0 H ASP A 115 1.456 3.489 -8.628 1.00 14.35 H new ATOM 0 HA ASP A 115 2.940 5.771 -8.297 1.00 14.31 H new ATOM 0 HB2 ASP A 115 0.020 5.405 -7.502 1.00 32.42 H new ATOM 0 HB3 ASP A 115 0.794 6.919 -7.925 1.00 32.42 H new ATOM 1011 N ALA A 116 1.623 4.585 -5.552 1.00 33.51 N ATOM 1012 CA ALA A 116 1.518 4.719 -4.123 1.00 33.33 C ATOM 1013 C ALA A 116 2.864 4.739 -3.433 1.00 52.15 C ATOM 1014 O ALA A 116 2.990 5.281 -2.357 1.00 52.00 O ATOM 1015 CB ALA A 116 0.636 3.634 -3.583 1.00 4.01 C ATOM 0 H ALA A 116 1.146 3.765 -5.927 1.00 33.51 H new ATOM 0 HA ALA A 116 1.067 5.688 -3.910 1.00 33.33 H new ATOM 0 HB1 ALA A 116 0.556 3.735 -2.501 1.00 4.01 H new ATOM 0 HB2 ALA A 116 -0.355 3.715 -4.029 1.00 4.01 H new ATOM 0 HB3 ALA A 116 1.065 2.662 -3.826 1.00 4.01 H new ATOM 1021 N LEU A 117 3.844 4.131 -4.052 1.00 73.33 N ATOM 1022 CA LEU A 117 5.204 4.117 -3.535 1.00 65.44 C ATOM 1023 C LEU A 117 5.966 5.360 -3.958 1.00 4.33 C ATOM 1024 O LEU A 117 6.788 5.880 -3.222 1.00 51.12 O ATOM 1025 CB LEU A 117 5.981 2.900 -4.004 1.00 23.20 C ATOM 1026 CG LEU A 117 5.368 1.532 -3.751 1.00 3.55 C ATOM 1027 CD1 LEU A 117 4.857 1.394 -2.324 1.00 74.35 C ATOM 1028 CD2 LEU A 117 4.305 1.212 -4.783 1.00 64.21 C ATOM 0 H LEU A 117 3.729 3.628 -4.932 1.00 73.33 H new ATOM 0 HA LEU A 117 5.113 4.086 -2.449 1.00 65.44 H new ATOM 0 HB2 LEU A 117 6.147 3.000 -5.077 1.00 23.20 H new ATOM 0 HB3 LEU A 117 6.961 2.923 -3.526 1.00 23.20 H new ATOM 0 HG LEU A 117 6.157 0.788 -3.863 1.00 3.55 H new ATOM 0 HD11 LEU A 117 4.427 0.402 -2.186 1.00 74.35 H new ATOM 0 HD12 LEU A 117 5.683 1.532 -1.627 1.00 74.35 H new ATOM 0 HD13 LEU A 117 4.094 2.150 -2.136 1.00 74.35 H new ATOM 0 HD21 LEU A 117 3.883 0.228 -4.578 1.00 64.21 H new ATOM 0 HD22 LEU A 117 3.515 1.962 -4.737 1.00 64.21 H new ATOM 0 HD23 LEU A 117 4.751 1.216 -5.778 1.00 64.21 H new ATOM 1040 N SER A 118 5.690 5.811 -5.145 1.00 71.44 N ATOM 1041 CA SER A 118 6.369 6.940 -5.734 1.00 32.24 C ATOM 1042 C SER A 118 5.911 8.225 -5.116 1.00 24.20 C ATOM 1043 O SER A 118 6.707 9.098 -4.805 1.00 74.52 O ATOM 1044 CB SER A 118 6.059 6.945 -7.198 1.00 42.20 C ATOM 1045 OG SER A 118 6.757 5.915 -7.876 1.00 12.54 O ATOM 0 H SER A 118 4.975 5.402 -5.747 1.00 71.44 H new ATOM 0 HA SER A 118 7.442 6.854 -5.562 1.00 32.24 H new ATOM 0 HB2 SER A 118 4.986 6.818 -7.345 1.00 42.20 H new ATOM 0 HB3 SER A 118 6.327 7.911 -7.625 1.00 42.20 H new ATOM 0 HG SER A 118 6.534 5.942 -8.830 1.00 12.54 H new ATOM 1051 N GLU A 119 4.639 8.345 -4.964 1.00 75.43 N ATOM 1052 CA GLU A 119 4.066 9.495 -4.353 1.00 4.55 C ATOM 1053 C GLU A 119 4.216 9.388 -2.863 1.00 1.33 C ATOM 1054 O GLU A 119 4.035 10.342 -2.169 1.00 14.42 O ATOM 1055 CB GLU A 119 2.608 9.677 -4.675 1.00 51.02 C ATOM 1056 CG GLU A 119 2.161 9.088 -5.972 1.00 62.34 C ATOM 1057 CD GLU A 119 0.763 9.515 -6.350 1.00 35.52 C ATOM 1058 OE1 GLU A 119 -0.111 9.651 -5.438 1.00 34.14 O ATOM 1059 OE2 GLU A 119 0.492 9.715 -7.572 1.00 34.51 O ATOM 0 H GLU A 119 3.961 7.644 -5.262 1.00 75.43 H new ATOM 0 HA GLU A 119 4.598 10.359 -4.751 1.00 4.55 H new ATOM 0 HB2 GLU A 119 2.018 9.235 -3.872 1.00 51.02 H new ATOM 0 HB3 GLU A 119 2.386 10.744 -4.684 1.00 51.02 H new ATOM 0 HG2 GLU A 119 2.853 9.385 -6.760 1.00 62.34 H new ATOM 0 HG3 GLU A 119 2.200 8.001 -5.906 1.00 62.34 H new ATOM 1066 N HIS A 120 4.442 8.185 -2.386 1.00 75.22 N ATOM 1067 CA HIS A 120 4.543 7.902 -0.961 1.00 33.14 C ATOM 1068 C HIS A 120 5.422 8.935 -0.233 1.00 11.13 C ATOM 1069 O HIS A 120 4.964 9.614 0.586 1.00 3.13 O ATOM 1070 CB HIS A 120 5.079 6.516 -0.738 1.00 73.53 C ATOM 1071 CG HIS A 120 4.743 5.950 0.570 1.00 44.30 C ATOM 1072 ND1 HIS A 120 3.510 5.442 0.891 1.00 71.33 N ATOM 1073 CD2 HIS A 120 5.486 5.828 1.642 1.00 73.40 C ATOM 1074 CE1 HIS A 120 3.541 5.033 2.151 1.00 5.52 C ATOM 1075 NE2 HIS A 120 4.747 5.241 2.674 1.00 2.42 N ATOM 0 H HIS A 120 4.563 7.363 -2.978 1.00 75.22 H new ATOM 0 HA HIS A 120 3.539 7.969 -0.543 1.00 33.14 H new ATOM 0 HB2 HIS A 120 4.693 5.859 -1.517 1.00 73.53 H new ATOM 0 HB3 HIS A 120 6.163 6.535 -0.846 1.00 73.53 H new ATOM 0 HD2 HIS A 120 6.518 6.136 1.718 1.00 73.40 H new ATOM 0 HE1 HIS A 120 2.707 4.594 2.678 1.00 5.52 H new ATOM 0 HE2 HIS A 120 5.063 5.021 3.619 1.00 2.42 H new ATOM 1083 N ASN A 121 6.634 9.069 -0.605 1.00 74.11 N ATOM 1084 CA ASN A 121 7.571 10.071 -0.018 1.00 25.34 C ATOM 1085 C ASN A 121 7.185 11.516 -0.365 1.00 24.13 C ATOM 1086 O ASN A 121 7.682 12.479 0.201 1.00 43.42 O ATOM 1087 CB ASN A 121 9.012 9.754 -0.375 1.00 4.04 C ATOM 1088 CG ASN A 121 9.269 9.562 -1.842 1.00 43.05 C ATOM 1089 OD1 ASN A 121 8.398 9.208 -2.616 1.00 73.24 O ATOM 1090 ND2 ASN A 121 10.471 9.696 -2.214 1.00 24.13 N ATOM 0 H ASN A 121 7.056 8.497 -1.337 1.00 74.11 H new ATOM 0 HA ASN A 121 7.482 9.994 1.066 1.00 25.34 H new ATOM 0 HB2 ASN A 121 9.648 10.561 -0.012 1.00 4.04 H new ATOM 0 HB3 ASN A 121 9.312 8.849 0.154 1.00 4.04 H new ATOM 0 HD21 ASN A 121 10.729 9.506 -3.182 1.00 24.13 H new ATOM 0 HD22 ASN A 121 11.182 9.994 -1.546 1.00 24.13 H new ATOM 1097 N LEU A 122 6.371 11.648 -1.336 1.00 71.11 N ATOM 1098 CA LEU A 122 5.857 12.923 -1.735 1.00 43.00 C ATOM 1099 C LEU A 122 4.732 13.374 -0.758 1.00 22.00 C ATOM 1100 O LEU A 122 4.777 14.476 -0.209 1.00 72.05 O ATOM 1101 CB LEU A 122 5.361 12.817 -3.197 1.00 11.32 C ATOM 1102 CG LEU A 122 4.345 13.840 -3.682 1.00 1.25 C ATOM 1103 CD1 LEU A 122 4.896 15.257 -3.611 1.00 34.25 C ATOM 1104 CD2 LEU A 122 3.902 13.515 -5.096 1.00 63.43 C ATOM 0 H LEU A 122 6.028 10.867 -1.895 1.00 71.11 H new ATOM 0 HA LEU A 122 6.635 13.685 -1.691 1.00 43.00 H new ATOM 0 HB2 LEU A 122 6.232 12.875 -3.850 1.00 11.32 H new ATOM 0 HB3 LEU A 122 4.928 11.826 -3.332 1.00 11.32 H new ATOM 0 HG LEU A 122 3.481 13.788 -3.019 1.00 1.25 H new ATOM 0 HD11 LEU A 122 4.141 15.959 -3.966 1.00 34.25 H new ATOM 0 HD12 LEU A 122 5.157 15.495 -2.580 1.00 34.25 H new ATOM 0 HD13 LEU A 122 5.785 15.333 -4.237 1.00 34.25 H new ATOM 0 HD21 LEU A 122 3.175 14.256 -5.429 1.00 63.43 H new ATOM 0 HD22 LEU A 122 4.766 13.530 -5.760 1.00 63.43 H new ATOM 0 HD23 LEU A 122 3.446 12.525 -5.116 1.00 63.43 H new ATOM 1116 N LYS A 123 3.751 12.515 -0.552 1.00 65.43 N ATOM 1117 CA LYS A 123 2.569 12.835 0.264 1.00 3.12 C ATOM 1118 C LYS A 123 2.548 12.132 1.629 1.00 12.20 C ATOM 1119 O LYS A 123 2.202 12.721 2.647 1.00 4.42 O ATOM 1120 CB LYS A 123 1.256 12.612 -0.552 1.00 25.03 C ATOM 1121 CG LYS A 123 1.440 11.705 -1.759 1.00 24.22 C ATOM 1122 CD LYS A 123 0.308 11.730 -2.786 1.00 62.22 C ATOM 1123 CE LYS A 123 -1.003 11.132 -2.297 1.00 20.25 C ATOM 1124 NZ LYS A 123 -1.850 10.729 -3.442 1.00 71.14 N ATOM 0 H LYS A 123 3.741 11.572 -0.941 1.00 65.43 H new ATOM 0 HA LYS A 123 2.635 13.895 0.508 1.00 3.12 H new ATOM 0 HB2 LYS A 123 0.498 12.182 0.104 1.00 25.03 H new ATOM 0 HB3 LYS A 123 0.877 13.578 -0.887 1.00 25.03 H new ATOM 0 HG2 LYS A 123 2.367 11.982 -2.261 1.00 24.22 H new ATOM 0 HG3 LYS A 123 1.563 10.681 -1.406 1.00 24.22 H new ATOM 0 HD2 LYS A 123 0.131 12.762 -3.088 1.00 62.22 H new ATOM 0 HD3 LYS A 123 0.630 11.189 -3.676 1.00 62.22 H new ATOM 0 HE2 LYS A 123 -0.801 10.267 -1.665 1.00 20.25 H new ATOM 0 HE3 LYS A 123 -1.534 11.859 -1.683 1.00 20.25 H new ATOM 0 HZ1 LYS A 123 -2.547 10.025 -3.127 1.00 71.14 H new ATOM 0 HZ2 LYS A 123 -2.345 11.563 -3.818 1.00 71.14 H new ATOM 0 HZ3 LYS A 123 -1.253 10.316 -4.187 1.00 71.14 H new ATOM 1138 N TYR A 124 2.938 10.903 1.626 1.00 43.24 N ATOM 1139 CA TYR A 124 2.896 10.012 2.805 1.00 12.11 C ATOM 1140 C TYR A 124 4.123 10.202 3.711 1.00 51.51 C ATOM 1141 O TYR A 124 3.971 10.405 4.916 1.00 12.21 O ATOM 1142 CB TYR A 124 2.810 8.549 2.356 1.00 1.12 C ATOM 1143 CG TYR A 124 1.584 8.200 1.537 1.00 12.04 C ATOM 1144 CD1 TYR A 124 1.387 8.763 0.290 1.00 34.24 C ATOM 1145 CD2 TYR A 124 0.635 7.298 1.995 1.00 50.01 C ATOM 1146 CE1 TYR A 124 0.307 8.473 -0.447 1.00 14.43 C ATOM 1147 CE2 TYR A 124 -0.468 6.995 1.220 1.00 73.02 C ATOM 1148 CZ TYR A 124 -0.612 7.602 0.005 1.00 14.15 C ATOM 1149 OH TYR A 124 -1.716 7.395 -0.726 1.00 12.22 O ATOM 0 H TYR A 124 3.311 10.448 0.793 1.00 43.24 H new ATOM 0 HA TYR A 124 2.009 10.275 3.382 1.00 12.11 H new ATOM 0 HB2 TYR A 124 3.699 8.312 1.771 1.00 1.12 H new ATOM 0 HB3 TYR A 124 2.831 7.912 3.240 1.00 1.12 H new ATOM 0 HD1 TYR A 124 2.121 9.453 -0.099 1.00 34.24 H new ATOM 0 HD2 TYR A 124 0.759 6.831 2.961 1.00 50.01 H new ATOM 0 HE1 TYR A 124 0.173 8.942 -1.411 1.00 14.43 H new ATOM 0 HE2 TYR A 124 -1.206 6.288 1.570 1.00 73.02 H new ATOM 0 HH TYR A 124 -1.964 8.224 -1.186 1.00 12.22 H new ATOM 1159 N HIS A 125 5.331 10.113 3.134 1.00 41.20 N ATOM 1160 CA HIS A 125 6.589 10.360 3.881 1.00 2.51 C ATOM 1161 C HIS A 125 7.312 11.581 3.291 1.00 3.40 C ATOM 1162 O HIS A 125 8.321 11.426 2.650 1.00 72.31 O ATOM 1163 CB HIS A 125 7.557 9.146 3.821 1.00 11.42 C ATOM 1164 CG HIS A 125 7.079 7.865 4.441 1.00 64.31 C ATOM 1165 ND1 HIS A 125 6.329 7.778 5.586 1.00 4.12 N ATOM 1166 CD2 HIS A 125 7.241 6.600 4.007 1.00 53.42 C ATOM 1167 CE1 HIS A 125 6.052 6.498 5.812 1.00 53.25 C ATOM 1168 NE2 HIS A 125 6.588 5.708 4.849 1.00 23.30 N ATOM 0 H HIS A 125 5.471 9.872 2.153 1.00 41.20 H new ATOM 0 HA HIS A 125 6.313 10.532 4.921 1.00 2.51 H new ATOM 0 HB2 HIS A 125 7.791 8.950 2.775 1.00 11.42 H new ATOM 0 HB3 HIS A 125 8.490 9.431 4.308 1.00 11.42 H new ATOM 0 HD2 HIS A 125 7.800 6.318 3.127 1.00 53.42 H new ATOM 0 HE1 HIS A 125 5.477 6.135 6.651 1.00 53.25 H new ATOM 0 HE2 HIS A 125 6.526 4.694 4.763 1.00 23.30 H new ATOM 1176 N PRO A 126 6.780 12.790 3.480 1.00 65.32 N ATOM 1177 CA PRO A 126 7.318 14.011 2.853 1.00 33.15 C ATOM 1178 C PRO A 126 8.651 14.523 3.419 1.00 70.24 C ATOM 1179 O PRO A 126 8.961 14.372 4.617 1.00 54.11 O ATOM 1180 CB PRO A 126 6.215 15.025 3.093 1.00 13.30 C ATOM 1181 CG PRO A 126 5.591 14.567 4.364 1.00 53.21 C ATOM 1182 CD PRO A 126 5.615 13.078 4.297 1.00 43.51 C ATOM 0 HA PRO A 126 7.564 13.821 1.808 1.00 33.15 H new ATOM 0 HB2 PRO A 126 6.612 16.036 3.183 1.00 13.30 H new ATOM 0 HB3 PRO A 126 5.496 15.037 2.274 1.00 13.30 H new ATOM 0 HG2 PRO A 126 6.146 14.931 5.229 1.00 53.21 H new ATOM 0 HG3 PRO A 126 4.571 14.941 4.459 1.00 53.21 H new ATOM 0 HD2 PRO A 126 5.701 12.634 5.289 1.00 43.51 H new ATOM 0 HD3 PRO A 126 4.704 12.682 3.849 1.00 43.51 H new ATOM 1190 N GLY A 127 9.415 15.153 2.539 1.00 43.21 N ATOM 1191 CA GLY A 127 10.690 15.724 2.896 1.00 64.33 C ATOM 1192 C GLY A 127 11.633 15.757 1.712 1.00 0.45 C ATOM 1193 O GLY A 127 12.212 16.811 1.383 1.00 71.32 O ATOM 0 H GLY A 127 9.162 15.279 1.559 1.00 43.21 H new ATOM 0 HA2 GLY A 127 10.544 16.736 3.275 1.00 64.33 H new ATOM 0 HA3 GLY A 127 11.137 15.143 3.703 1.00 64.33 H new ATOM 1197 N GLU A 128 11.739 14.638 1.042 1.00 51.13 N ATOM 1198 CA GLU A 128 12.626 14.455 -0.097 1.00 44.42 C ATOM 1199 C GLU A 128 12.046 13.380 -0.987 1.00 21.12 C ATOM 1200 O GLU A 128 10.986 12.826 -0.657 1.00 52.32 O ATOM 1201 CB GLU A 128 14.060 14.121 0.393 1.00 51.33 C ATOM 1202 CG GLU A 128 14.170 12.897 1.294 1.00 33.52 C ATOM 1203 CD GLU A 128 14.579 11.645 0.569 1.00 64.25 C ATOM 1204 OE1 GLU A 128 13.734 10.973 -0.009 1.00 44.43 O ATOM 1205 OE2 GLU A 128 15.782 11.335 0.550 1.00 2.42 O ATOM 0 H GLU A 128 11.201 13.803 1.273 1.00 51.13 H new ATOM 0 HA GLU A 128 12.705 15.372 -0.681 1.00 44.42 H new ATOM 0 HB2 GLU A 128 14.698 13.970 -0.478 1.00 51.33 H new ATOM 0 HB3 GLU A 128 14.453 14.984 0.930 1.00 51.33 H new ATOM 0 HG2 GLU A 128 14.894 13.102 2.083 1.00 33.52 H new ATOM 0 HG3 GLU A 128 13.209 12.727 1.779 1.00 33.52 H new ATOM 1212 N GLU A 129 12.653 13.125 -2.118 1.00 71.25 N ATOM 1213 CA GLU A 129 12.168 12.066 -2.966 1.00 61.15 C ATOM 1214 C GLU A 129 13.321 11.191 -3.398 1.00 4.10 C ATOM 1215 O GLU A 129 13.987 11.469 -4.399 1.00 35.42 O ATOM 1216 CB GLU A 129 11.466 12.623 -4.204 1.00 1.20 C ATOM 1217 CG GLU A 129 10.809 11.543 -5.066 1.00 52.35 C ATOM 1218 CD GLU A 129 10.167 12.064 -6.329 1.00 54.53 C ATOM 1219 OE1 GLU A 129 8.991 12.474 -6.300 1.00 71.13 O ATOM 1220 OE2 GLU A 129 10.815 12.046 -7.393 1.00 35.35 O ATOM 0 H GLU A 129 13.469 13.626 -2.469 1.00 71.25 H new ATOM 0 HA GLU A 129 11.447 11.481 -2.395 1.00 61.15 H new ATOM 0 HB2 GLU A 129 10.707 13.339 -3.891 1.00 1.20 H new ATOM 0 HB3 GLU A 129 12.190 13.170 -4.808 1.00 1.20 H new ATOM 0 HG2 GLU A 129 11.561 10.801 -5.334 1.00 52.35 H new ATOM 0 HG3 GLU A 129 10.052 11.031 -4.472 1.00 52.35 H new ATOM 1227 N ASN A 130 13.579 10.153 -2.626 1.00 21.45 N ATOM 1228 CA ASN A 130 14.650 9.214 -2.897 1.00 21.13 C ATOM 1229 C ASN A 130 14.287 7.862 -2.317 1.00 22.33 C ATOM 1230 O ASN A 130 14.500 7.592 -1.132 1.00 63.42 O ATOM 1231 CB ASN A 130 15.958 9.699 -2.233 1.00 42.40 C ATOM 1232 CG ASN A 130 16.455 11.033 -2.769 1.00 62.00 C ATOM 1233 OD1 ASN A 130 15.950 12.097 -2.189 1.00 42.53 O flip ATOM 1234 ND2 ASN A 130 17.279 11.103 -3.681 1.00 22.40 N flip ATOM 0 H ASN A 130 13.045 9.936 -1.784 1.00 21.45 H new ATOM 0 HA ASN A 130 14.792 9.139 -3.975 1.00 21.13 H new ATOM 0 HB2 ASN A 130 15.800 9.785 -1.158 1.00 42.40 H new ATOM 0 HB3 ASN A 130 16.732 8.946 -2.382 1.00 42.40 H new ATOM 0 HD21 ASN A 130 17.646 10.250 -4.104 1.00 22.40 H new ATOM 0 HD22 ASN A 130 17.595 12.014 -4.014 1.00 22.40 H new ATOM 1241 N PHE A 131 13.706 7.042 -3.126 1.00 43.13 N ATOM 1242 CA PHE A 131 13.353 5.699 -2.737 1.00 54.32 C ATOM 1243 C PHE A 131 14.299 4.706 -3.383 1.00 74.15 C ATOM 1244 O PHE A 131 14.764 4.923 -4.508 1.00 54.13 O ATOM 1245 CB PHE A 131 11.920 5.375 -3.147 1.00 31.10 C ATOM 1246 CG PHE A 131 10.895 5.367 -2.033 1.00 31.22 C ATOM 1247 CD1 PHE A 131 10.837 4.317 -1.153 1.00 41.24 C ATOM 1248 CD2 PHE A 131 9.970 6.369 -1.904 1.00 24.10 C ATOM 1249 CE1 PHE A 131 9.878 4.261 -0.167 1.00 52.22 C ATOM 1250 CE2 PHE A 131 8.994 6.317 -0.916 1.00 65.52 C ATOM 1251 CZ PHE A 131 8.951 5.259 -0.054 1.00 74.31 C ATOM 0 H PHE A 131 13.456 7.277 -4.087 1.00 43.13 H new ATOM 0 HA PHE A 131 13.432 5.627 -1.652 1.00 54.32 H new ATOM 0 HB2 PHE A 131 11.605 6.100 -3.898 1.00 31.10 H new ATOM 0 HB3 PHE A 131 11.913 4.396 -3.627 1.00 31.10 H new ATOM 0 HD1 PHE A 131 11.558 3.518 -1.235 1.00 41.24 H new ATOM 0 HD2 PHE A 131 10.000 7.211 -2.579 1.00 24.10 H new ATOM 0 HE1 PHE A 131 9.858 3.427 0.519 1.00 52.22 H new ATOM 0 HE2 PHE A 131 8.270 7.113 -0.830 1.00 65.52 H new ATOM 0 HZ PHE A 131 8.190 5.211 0.711 1.00 74.31 H new ATOM 1261 N LYS A 132 14.574 3.643 -2.690 1.00 44.15 N ATOM 1262 CA LYS A 132 15.436 2.585 -3.166 1.00 23.31 C ATOM 1263 C LYS A 132 14.540 1.359 -3.390 1.00 52.11 C ATOM 1264 O LYS A 132 13.436 1.330 -2.876 1.00 24.44 O ATOM 1265 CB LYS A 132 16.497 2.255 -2.096 1.00 42.25 C ATOM 1266 CG LYS A 132 16.106 1.108 -1.185 1.00 32.21 C ATOM 1267 CD LYS A 132 17.199 0.700 -0.255 1.00 5.43 C ATOM 1268 CE LYS A 132 16.847 -0.641 0.348 1.00 40.42 C ATOM 1269 NZ LYS A 132 17.824 -1.105 1.343 1.00 43.51 N ATOM 0 H LYS A 132 14.201 3.476 -1.756 1.00 44.15 H new ATOM 0 HA LYS A 132 15.950 2.878 -4.082 1.00 23.31 H new ATOM 0 HB2 LYS A 132 17.436 2.010 -2.592 1.00 42.25 H new ATOM 0 HB3 LYS A 132 16.678 3.143 -1.490 1.00 42.25 H new ATOM 0 HG2 LYS A 132 15.231 1.396 -0.603 1.00 32.21 H new ATOM 0 HG3 LYS A 132 15.816 0.251 -1.793 1.00 32.21 H new ATOM 0 HD2 LYS A 132 18.146 0.637 -0.790 1.00 5.43 H new ATOM 0 HD3 LYS A 132 17.325 1.446 0.530 1.00 5.43 H new ATOM 0 HE2 LYS A 132 15.865 -0.574 0.817 1.00 40.42 H new ATOM 0 HE3 LYS A 132 16.771 -1.381 -0.449 1.00 40.42 H new ATOM 0 HZ1 LYS A 132 17.526 -2.028 1.718 1.00 43.51 H new ATOM 0 HZ2 LYS A 132 18.758 -1.199 0.895 1.00 43.51 H new ATOM 0 HZ3 LYS A 132 17.881 -0.417 2.121 1.00 43.51 H new ATOM 1283 N LEU A 133 15.001 0.353 -4.093 1.00 23.25 N ATOM 1284 CA LEU A 133 14.172 -0.804 -4.328 1.00 73.10 C ATOM 1285 C LEU A 133 14.930 -2.074 -4.006 1.00 51.42 C ATOM 1286 O LEU A 133 16.028 -2.320 -4.523 1.00 53.32 O ATOM 1287 CB LEU A 133 13.597 -0.862 -5.757 1.00 74.02 C ATOM 1288 CG LEU A 133 14.598 -0.946 -6.907 1.00 4.40 C ATOM 1289 CD1 LEU A 133 13.911 -1.502 -8.143 1.00 40.02 C ATOM 1290 CD2 LEU A 133 15.166 0.426 -7.237 1.00 63.14 C ATOM 0 H LEU A 133 15.932 0.311 -4.507 1.00 23.25 H new ATOM 0 HA LEU A 133 13.318 -0.713 -3.657 1.00 73.10 H new ATOM 0 HB2 LEU A 133 12.936 -1.726 -5.821 1.00 74.02 H new ATOM 0 HB3 LEU A 133 12.980 0.024 -5.910 1.00 74.02 H new ATOM 0 HG LEU A 133 15.413 -1.602 -6.599 1.00 4.40 H new ATOM 0 HD11 LEU A 133 14.628 -1.561 -8.962 1.00 40.02 H new ATOM 0 HD12 LEU A 133 13.524 -2.498 -7.927 1.00 40.02 H new ATOM 0 HD13 LEU A 133 13.088 -0.847 -8.428 1.00 40.02 H new ATOM 0 HD21 LEU A 133 15.876 0.338 -8.059 1.00 63.14 H new ATOM 0 HD22 LEU A 133 14.356 1.095 -7.527 1.00 63.14 H new ATOM 0 HD23 LEU A 133 15.674 0.830 -6.361 1.00 63.14 H new ATOM 1302 N THR A 134 14.358 -2.855 -3.162 1.00 62.55 N ATOM 1303 CA THR A 134 14.927 -4.080 -2.734 1.00 60.51 C ATOM 1304 C THR A 134 13.849 -5.152 -2.804 1.00 34.21 C ATOM 1305 O THR A 134 12.790 -4.988 -2.248 1.00 73.50 O ATOM 1306 CB THR A 134 15.493 -3.931 -1.281 1.00 3.05 C ATOM 1307 OG1 THR A 134 16.038 -5.165 -0.795 1.00 53.41 O ATOM 1308 CG2 THR A 134 14.448 -3.384 -0.300 1.00 25.12 C ATOM 0 H THR A 134 13.453 -2.652 -2.737 1.00 62.55 H new ATOM 0 HA THR A 134 15.759 -4.364 -3.378 1.00 60.51 H new ATOM 0 HB THR A 134 16.300 -3.201 -1.343 1.00 3.05 H new ATOM 0 HG1 THR A 134 16.383 -5.035 0.113 1.00 53.41 H new ATOM 0 HG21 THR A 134 14.890 -3.300 0.693 1.00 25.12 H new ATOM 0 HG22 THR A 134 14.115 -2.401 -0.634 1.00 25.12 H new ATOM 0 HG23 THR A 134 13.595 -4.062 -0.261 1.00 25.12 H new ATOM 1316 N MET A 135 14.067 -6.231 -3.494 1.00 60.21 N ATOM 1317 CA MET A 135 12.993 -7.185 -3.549 1.00 34.41 C ATOM 1318 C MET A 135 13.281 -8.284 -2.589 1.00 41.23 C ATOM 1319 O MET A 135 14.116 -9.146 -2.854 1.00 62.03 O ATOM 1320 CB MET A 135 12.920 -7.745 -4.971 1.00 0.42 C ATOM 1321 CG MET A 135 11.916 -8.860 -5.202 1.00 73.12 C ATOM 1322 SD MET A 135 11.997 -9.464 -6.903 1.00 61.53 S ATOM 1323 CE MET A 135 10.840 -10.821 -6.853 1.00 34.34 C ATOM 0 H MET A 135 14.921 -6.468 -3.999 1.00 60.21 H new ATOM 0 HA MET A 135 12.044 -6.716 -3.288 1.00 34.41 H new ATOM 0 HB2 MET A 135 12.684 -6.926 -5.650 1.00 0.42 H new ATOM 0 HB3 MET A 135 13.909 -8.112 -5.246 1.00 0.42 H new ATOM 0 HG2 MET A 135 12.113 -9.680 -4.512 1.00 73.12 H new ATOM 0 HG3 MET A 135 10.910 -8.498 -4.988 1.00 73.12 H new ATOM 0 HE1 MET A 135 10.434 -10.990 -7.850 1.00 34.34 H new ATOM 0 HE2 MET A 135 11.350 -11.722 -6.511 1.00 34.34 H new ATOM 0 HE3 MET A 135 10.028 -10.581 -6.167 1.00 34.34 H new ATOM 1333 N VAL A 136 12.579 -8.256 -1.481 1.00 71.42 N ATOM 1334 CA VAL A 136 12.636 -9.289 -0.487 1.00 33.32 C ATOM 1335 C VAL A 136 11.293 -9.403 0.218 1.00 3.12 C ATOM 1336 O VAL A 136 10.963 -8.569 1.013 1.00 74.32 O ATOM 1337 CB VAL A 136 13.792 -9.030 0.552 1.00 13.34 C ATOM 1338 CG1 VAL A 136 15.115 -9.509 0.003 1.00 53.54 C ATOM 1339 CG2 VAL A 136 13.919 -7.535 0.868 1.00 44.33 C ATOM 0 H VAL A 136 11.940 -7.496 -1.245 1.00 71.42 H new ATOM 0 HA VAL A 136 12.856 -10.232 -0.988 1.00 33.32 H new ATOM 0 HB VAL A 136 13.542 -9.579 1.460 1.00 13.34 H new ATOM 0 HG11 VAL A 136 15.901 -9.322 0.734 1.00 53.54 H new ATOM 0 HG12 VAL A 136 15.058 -10.578 -0.203 1.00 53.54 H new ATOM 0 HG13 VAL A 136 15.342 -8.973 -0.919 1.00 53.54 H new ATOM 0 HG21 VAL A 136 14.724 -7.382 1.587 1.00 44.33 H new ATOM 0 HG22 VAL A 136 14.142 -6.987 -0.048 1.00 44.33 H new ATOM 0 HG23 VAL A 136 12.982 -7.171 1.289 1.00 44.33 H new ATOM 1349 N LYS A 137 10.535 -10.402 -0.027 1.00 45.02 N ATOM 1350 CA LYS A 137 9.302 -10.533 0.704 1.00 65.02 C ATOM 1351 C LYS A 137 9.125 -11.960 1.021 1.00 4.31 C ATOM 1352 O LYS A 137 9.132 -12.793 0.118 1.00 41.23 O ATOM 1353 CB LYS A 137 8.129 -9.982 -0.068 1.00 35.35 C ATOM 1354 CG LYS A 137 6.929 -9.564 0.779 1.00 71.12 C ATOM 1355 CD LYS A 137 7.254 -8.259 1.530 1.00 20.11 C ATOM 1356 CE LYS A 137 6.024 -7.601 2.170 1.00 50.44 C ATOM 1357 NZ LYS A 137 5.675 -8.215 3.479 1.00 14.51 N ATOM 0 H LYS A 137 10.726 -11.135 -0.710 1.00 45.02 H new ATOM 0 HA LYS A 137 9.349 -9.948 1.622 1.00 65.02 H new ATOM 0 HB2 LYS A 137 8.466 -9.119 -0.642 1.00 35.35 H new ATOM 0 HB3 LYS A 137 7.802 -10.734 -0.786 1.00 35.35 H new ATOM 0 HG2 LYS A 137 6.055 -9.421 0.144 1.00 71.12 H new ATOM 0 HG3 LYS A 137 6.681 -10.352 1.490 1.00 71.12 H new ATOM 0 HD2 LYS A 137 7.990 -8.469 2.306 1.00 20.11 H new ATOM 0 HD3 LYS A 137 7.714 -7.555 0.837 1.00 20.11 H new ATOM 0 HE2 LYS A 137 6.215 -6.537 2.309 1.00 50.44 H new ATOM 0 HE3 LYS A 137 5.174 -7.687 1.492 1.00 50.44 H new ATOM 0 HZ1 LYS A 137 4.839 -7.739 3.874 1.00 14.51 H new ATOM 0 HZ2 LYS A 137 5.467 -9.225 3.344 1.00 14.51 H new ATOM 0 HZ3 LYS A 137 6.475 -8.111 4.136 1.00 14.51 H new ATOM 1371 N ARG A 138 8.992 -12.267 2.250 1.00 4.14 N ATOM 1372 CA ARG A 138 8.876 -13.623 2.655 1.00 4.14 C ATOM 1373 C ARG A 138 7.499 -13.839 3.218 1.00 52.32 C ATOM 1374 O ARG A 138 6.779 -12.852 3.446 1.00 64.11 O ATOM 1375 CB ARG A 138 9.980 -14.003 3.663 1.00 4.41 C ATOM 1376 CG ARG A 138 11.423 -13.870 3.123 1.00 50.23 C ATOM 1377 CD ARG A 138 11.903 -12.413 3.053 1.00 13.14 C ATOM 1378 NE ARG A 138 11.898 -11.757 4.370 1.00 74.02 N ATOM 1379 CZ ARG A 138 11.984 -10.432 4.580 1.00 64.41 C ATOM 1380 NH1 ARG A 138 12.039 -9.585 3.560 1.00 24.02 N ATOM 1381 NH2 ARG A 138 11.976 -9.968 5.815 1.00 5.15 N ATOM 0 H ARG A 138 8.959 -11.589 3.012 1.00 4.14 H new ATOM 0 HA ARG A 138 9.013 -14.278 1.794 1.00 4.14 H new ATOM 0 HB2 ARG A 138 9.878 -13.373 4.547 1.00 4.41 H new ATOM 0 HB3 ARG A 138 9.821 -15.032 3.985 1.00 4.41 H new ATOM 0 HG2 ARG A 138 12.098 -14.439 3.762 1.00 50.23 H new ATOM 0 HG3 ARG A 138 11.476 -14.313 2.128 1.00 50.23 H new ATOM 0 HD2 ARG A 138 12.911 -12.385 2.640 1.00 13.14 H new ATOM 0 HD3 ARG A 138 11.263 -11.855 2.370 1.00 13.14 H new ATOM 0 HE ARG A 138 11.823 -12.357 5.191 1.00 74.02 H new ATOM 0 HH11 ARG A 138 12.016 -9.937 2.603 1.00 24.02 H new ATOM 0 HH12 ARG A 138 12.104 -8.582 3.733 1.00 24.02 H new ATOM 0 HH21 ARG A 138 11.905 -10.613 6.602 1.00 5.15 H new ATOM 0 HH22 ARG A 138 12.041 -8.964 5.983 1.00 5.15 H new ATOM 1395 N ASN A 139 7.096 -15.111 3.353 1.00 55.42 N ATOM 1396 CA ASN A 139 5.781 -15.523 3.924 1.00 13.40 C ATOM 1397 C ASN A 139 4.608 -15.247 2.957 1.00 51.24 C ATOM 1398 O ASN A 139 3.512 -15.772 3.132 1.00 51.35 O ATOM 1399 CB ASN A 139 5.542 -14.836 5.308 1.00 4.23 C ATOM 1400 CG ASN A 139 4.263 -15.253 6.052 1.00 23.54 C ATOM 1401 OD1 ASN A 139 3.657 -14.435 6.759 1.00 24.52 O ATOM 1402 ND2 ASN A 139 3.880 -16.501 5.965 1.00 70.44 N ATOM 0 H ASN A 139 7.674 -15.902 3.068 1.00 55.42 H new ATOM 0 HA ASN A 139 5.818 -16.602 4.073 1.00 13.40 H new ATOM 0 HB2 ASN A 139 6.398 -15.047 5.949 1.00 4.23 H new ATOM 0 HB3 ASN A 139 5.516 -13.757 5.157 1.00 4.23 H new ATOM 0 HD21 ASN A 139 3.064 -16.822 6.487 1.00 70.44 H new ATOM 0 HD22 ASN A 139 4.397 -17.153 5.375 1.00 70.44 H new ATOM 1409 N ASN A 140 4.859 -14.501 1.904 1.00 41.10 N ATOM 1410 CA ASN A 140 3.791 -14.069 1.019 1.00 43.15 C ATOM 1411 C ASN A 140 4.133 -14.378 -0.428 1.00 23.43 C ATOM 1412 O ASN A 140 3.882 -15.465 -0.930 1.00 53.02 O ATOM 1413 CB ASN A 140 3.531 -12.545 1.151 1.00 52.41 C ATOM 1414 CG ASN A 140 3.151 -12.068 2.522 1.00 4.12 C ATOM 1415 OD1 ASN A 140 1.983 -12.031 2.864 1.00 1.34 O ATOM 1416 ND2 ASN A 140 4.137 -11.646 3.299 1.00 4.14 N ATOM 0 H ASN A 140 5.790 -14.180 1.637 1.00 41.10 H new ATOM 0 HA ASN A 140 2.894 -14.614 1.312 1.00 43.15 H new ATOM 0 HB2 ASN A 140 4.429 -12.013 0.837 1.00 52.41 H new ATOM 0 HB3 ASN A 140 2.737 -12.269 0.457 1.00 52.41 H new ATOM 0 HD21 ASN A 140 3.932 -11.271 4.225 1.00 4.14 H new ATOM 0 HD22 ASN A 140 5.102 -11.696 2.971 1.00 4.14 H new ATOM 1423 N GLN A 141 4.753 -13.427 -1.061 1.00 11.05 N ATOM 1424 CA GLN A 141 5.163 -13.512 -2.417 1.00 34.12 C ATOM 1425 C GLN A 141 6.359 -12.663 -2.510 1.00 22.01 C ATOM 1426 O GLN A 141 6.552 -11.828 -1.639 1.00 52.24 O ATOM 1427 CB GLN A 141 4.107 -12.963 -3.405 1.00 52.13 C ATOM 1428 CG GLN A 141 3.849 -11.458 -3.418 1.00 22.12 C ATOM 1429 CD GLN A 141 2.994 -10.935 -2.300 1.00 41.21 C ATOM 1430 OE1 GLN A 141 1.765 -10.847 -2.420 1.00 62.04 O ATOM 1431 NE2 GLN A 141 3.615 -10.528 -1.245 1.00 12.31 N ATOM 0 H GLN A 141 4.993 -12.538 -0.622 1.00 11.05 H new ATOM 0 HA GLN A 141 5.329 -14.556 -2.684 1.00 34.12 H new ATOM 0 HB2 GLN A 141 4.405 -13.259 -4.411 1.00 52.13 H new ATOM 0 HB3 GLN A 141 3.161 -13.462 -3.193 1.00 52.13 H new ATOM 0 HG2 GLN A 141 4.809 -10.943 -3.388 1.00 22.12 H new ATOM 0 HG3 GLN A 141 3.377 -11.197 -4.365 1.00 22.12 H new ATOM 0 HE21 GLN A 141 4.629 -10.618 -1.184 1.00 12.31 H new ATOM 0 HE22 GLN A 141 3.092 -10.116 -0.472 1.00 12.31 H new ATOM 1440 N THR A 142 7.114 -12.796 -3.531 1.00 62.45 N ATOM 1441 CA THR A 142 8.266 -11.981 -3.671 1.00 63.13 C ATOM 1442 C THR A 142 7.945 -10.748 -4.510 1.00 24.11 C ATOM 1443 O THR A 142 7.670 -10.815 -5.703 1.00 75.22 O ATOM 1444 CB THR A 142 9.459 -12.789 -4.192 1.00 12.24 C ATOM 1445 OG1 THR A 142 9.006 -13.745 -5.169 1.00 34.44 O ATOM 1446 CG2 THR A 142 10.163 -13.502 -3.039 1.00 30.20 C ATOM 0 H THR A 142 6.959 -13.462 -4.287 1.00 62.45 H new ATOM 0 HA THR A 142 8.569 -11.616 -2.689 1.00 63.13 H new ATOM 0 HB THR A 142 10.171 -12.110 -4.661 1.00 12.24 H new ATOM 0 HG1 THR A 142 9.771 -14.260 -5.502 1.00 34.44 H new ATOM 0 HG21 THR A 142 11.008 -14.072 -3.425 1.00 30.20 H new ATOM 0 HG22 THR A 142 10.520 -12.765 -2.320 1.00 30.20 H new ATOM 0 HG23 THR A 142 9.463 -14.179 -2.548 1.00 30.20 H new ATOM 1454 N ILE A 143 7.953 -9.649 -3.821 1.00 74.20 N ATOM 1455 CA ILE A 143 7.556 -8.344 -4.267 1.00 24.22 C ATOM 1456 C ILE A 143 8.617 -7.335 -3.924 1.00 42.44 C ATOM 1457 O ILE A 143 9.438 -7.584 -3.031 1.00 34.52 O ATOM 1458 CB ILE A 143 6.129 -7.927 -3.816 1.00 40.33 C ATOM 1459 CG1 ILE A 143 5.885 -8.181 -2.369 1.00 33.22 C ATOM 1460 CG2 ILE A 143 5.071 -8.583 -4.645 1.00 20.34 C ATOM 1461 CD1 ILE A 143 6.514 -7.150 -1.510 1.00 75.44 C ATOM 0 H ILE A 143 8.263 -9.639 -2.849 1.00 74.20 H new ATOM 0 HA ILE A 143 7.473 -8.383 -5.353 1.00 24.22 H new ATOM 0 HB ILE A 143 6.071 -6.850 -3.972 1.00 40.33 H new ATOM 0 HG12 ILE A 143 4.812 -8.204 -2.181 1.00 33.22 H new ATOM 0 HG13 ILE A 143 6.276 -9.163 -2.102 1.00 33.22 H new ATOM 0 HG21 ILE A 143 4.088 -8.265 -4.298 1.00 20.34 H new ATOM 0 HG22 ILE A 143 5.197 -8.297 -5.689 1.00 20.34 H new ATOM 0 HG23 ILE A 143 5.156 -9.666 -4.553 1.00 20.34 H new ATOM 0 HD11 ILE A 143 6.310 -7.375 -0.463 1.00 75.44 H new ATOM 0 HD12 ILE A 143 7.591 -7.145 -1.677 1.00 75.44 H new ATOM 0 HD13 ILE A 143 6.104 -6.171 -1.757 1.00 75.44 H new ATOM 1473 N PHE A 144 8.658 -6.261 -4.636 1.00 75.32 N ATOM 1474 CA PHE A 144 9.729 -5.322 -4.528 1.00 24.35 C ATOM 1475 C PHE A 144 9.397 -4.334 -3.444 1.00 63.32 C ATOM 1476 O PHE A 144 8.382 -3.652 -3.493 1.00 75.34 O ATOM 1477 CB PHE A 144 9.840 -4.538 -5.843 1.00 62.44 C ATOM 1478 CG PHE A 144 10.184 -5.350 -7.049 1.00 34.41 C ATOM 1479 CD1 PHE A 144 11.499 -5.541 -7.403 1.00 3.50 C ATOM 1480 CD2 PHE A 144 9.185 -5.913 -7.838 1.00 12.21 C ATOM 1481 CE1 PHE A 144 11.832 -6.279 -8.522 1.00 61.34 C ATOM 1482 CE2 PHE A 144 9.506 -6.651 -8.957 1.00 51.13 C ATOM 1483 CZ PHE A 144 10.835 -6.836 -9.301 1.00 61.22 C ATOM 0 H PHE A 144 7.943 -6.005 -5.317 1.00 75.32 H new ATOM 0 HA PHE A 144 10.657 -5.850 -4.309 1.00 24.35 H new ATOM 0 HB2 PHE A 144 8.892 -4.032 -6.025 1.00 62.44 H new ATOM 0 HB3 PHE A 144 10.596 -3.763 -5.721 1.00 62.44 H new ATOM 0 HD1 PHE A 144 12.282 -5.108 -6.798 1.00 3.50 H new ATOM 0 HD2 PHE A 144 8.148 -5.770 -7.571 1.00 12.21 H new ATOM 0 HE1 PHE A 144 12.869 -6.421 -8.788 1.00 61.34 H new ATOM 0 HE2 PHE A 144 8.724 -7.084 -9.563 1.00 51.13 H new ATOM 0 HZ PHE A 144 11.092 -7.414 -10.176 1.00 61.22 H new ATOM 1493 N GLU A 145 10.247 -4.277 -2.463 1.00 33.34 N ATOM 1494 CA GLU A 145 10.058 -3.419 -1.370 1.00 22.10 C ATOM 1495 C GLU A 145 10.811 -2.148 -1.674 1.00 52.30 C ATOM 1496 O GLU A 145 11.888 -2.178 -2.277 1.00 15.45 O ATOM 1497 CB GLU A 145 10.585 -4.036 -0.064 1.00 3.52 C ATOM 1498 CG GLU A 145 10.119 -5.445 0.253 1.00 25.54 C ATOM 1499 CD GLU A 145 10.284 -5.754 1.735 1.00 73.43 C ATOM 1500 OE1 GLU A 145 11.440 -5.866 2.219 1.00 73.20 O ATOM 1501 OE2 GLU A 145 9.252 -5.861 2.454 1.00 53.53 O ATOM 0 H GLU A 145 11.097 -4.839 -2.414 1.00 33.34 H new ATOM 0 HA GLU A 145 8.994 -3.233 -1.227 1.00 22.10 H new ATOM 0 HB2 GLU A 145 11.674 -4.037 -0.102 1.00 3.52 H new ATOM 0 HB3 GLU A 145 10.295 -3.386 0.762 1.00 3.52 H new ATOM 0 HG2 GLU A 145 9.073 -5.559 -0.032 1.00 25.54 H new ATOM 0 HG3 GLU A 145 10.690 -6.162 -0.337 1.00 25.54 H new ATOM 1508 N GLN A 146 10.259 -1.059 -1.310 1.00 45.14 N ATOM 1509 CA GLN A 146 10.840 0.196 -1.623 1.00 25.41 C ATOM 1510 C GLN A 146 11.072 0.964 -0.324 1.00 65.53 C ATOM 1511 O GLN A 146 10.109 1.271 0.402 1.00 43.23 O ATOM 1512 CB GLN A 146 9.887 0.929 -2.573 1.00 62.02 C ATOM 1513 CG GLN A 146 10.576 1.936 -3.448 1.00 61.25 C ATOM 1514 CD GLN A 146 9.682 2.564 -4.473 1.00 42.13 C ATOM 1515 OE1 GLN A 146 9.555 2.067 -5.577 1.00 11.44 O ATOM 1516 NE2 GLN A 146 9.074 3.662 -4.134 1.00 42.41 N ATOM 0 H GLN A 146 9.387 -1.005 -0.784 1.00 45.14 H new ATOM 0 HA GLN A 146 11.805 0.090 -2.118 1.00 25.41 H new ATOM 0 HB2 GLN A 146 9.380 0.198 -3.203 1.00 62.02 H new ATOM 0 HB3 GLN A 146 9.118 1.433 -1.987 1.00 62.02 H new ATOM 0 HG2 GLN A 146 10.998 2.720 -2.819 1.00 61.25 H new ATOM 0 HG3 GLN A 146 11.410 1.451 -3.956 1.00 61.25 H new ATOM 0 HE21 GLN A 146 9.204 4.049 -3.199 1.00 42.41 H new ATOM 0 HE22 GLN A 146 8.467 4.136 -4.803 1.00 42.41 H new ATOM 1525 N THR A 147 12.338 1.192 0.014 1.00 14.53 N ATOM 1526 CA THR A 147 12.715 1.883 1.251 1.00 50.23 C ATOM 1527 C THR A 147 13.335 3.220 0.927 1.00 74.21 C ATOM 1528 O THR A 147 13.794 3.438 -0.184 1.00 14.13 O ATOM 1529 CB THR A 147 13.747 1.069 2.042 1.00 61.43 C ATOM 1530 OG1 THR A 147 13.988 -0.184 1.371 1.00 32.23 O ATOM 1531 CG2 THR A 147 13.257 0.803 3.459 1.00 51.34 C ATOM 0 H THR A 147 13.132 0.905 -0.558 1.00 14.53 H new ATOM 0 HA THR A 147 11.810 2.010 1.845 1.00 50.23 H new ATOM 0 HB THR A 147 14.672 1.643 2.098 1.00 61.43 H new ATOM 0 HG1 THR A 147 14.350 -0.833 2.010 1.00 32.23 H new ATOM 0 HG21 THR A 147 14.006 0.224 4.000 1.00 51.34 H new ATOM 0 HG22 THR A 147 13.091 1.751 3.971 1.00 51.34 H new ATOM 0 HG23 THR A 147 12.323 0.243 3.422 1.00 51.34 H new ATOM 1539 N ILE A 148 13.350 4.087 1.871 1.00 70.10 N ATOM 1540 CA ILE A 148 13.895 5.412 1.701 1.00 31.31 C ATOM 1541 C ILE A 148 15.259 5.466 2.351 1.00 31.11 C ATOM 1542 O ILE A 148 15.604 4.619 3.159 1.00 31.30 O ATOM 1543 CB ILE A 148 12.969 6.469 2.327 1.00 32.33 C ATOM 1544 CG1 ILE A 148 11.549 6.114 1.941 1.00 41.11 C ATOM 1545 CG2 ILE A 148 13.318 7.840 1.745 1.00 43.42 C ATOM 1546 CD1 ILE A 148 10.461 6.712 2.778 1.00 50.43 C ATOM 0 H ILE A 148 12.981 3.908 2.805 1.00 70.10 H new ATOM 0 HA ILE A 148 13.981 5.630 0.637 1.00 31.31 H new ATOM 0 HB ILE A 148 13.081 6.495 3.411 1.00 32.33 H new ATOM 0 HG12 ILE A 148 11.390 6.418 0.906 1.00 41.11 H new ATOM 0 HG13 ILE A 148 11.447 5.029 1.973 1.00 41.11 H new ATOM 0 HG21 ILE A 148 12.667 8.597 2.182 1.00 43.42 H new ATOM 0 HG22 ILE A 148 14.357 8.079 1.973 1.00 43.42 H new ATOM 0 HG23 ILE A 148 13.179 7.822 0.664 1.00 43.42 H new ATOM 0 HD11 ILE A 148 9.492 6.384 2.403 1.00 50.43 H new ATOM 0 HD12 ILE A 148 10.578 6.389 3.812 1.00 50.43 H new ATOM 0 HD13 ILE A 148 10.520 7.799 2.729 1.00 50.43 H new ATOM 1558 N ASN A 149 16.057 6.372 1.915 1.00 24.32 N ATOM 1559 CA ASN A 149 17.379 6.570 2.465 1.00 23.44 C ATOM 1560 C ASN A 149 17.395 7.757 3.441 1.00 11.41 C ATOM 1561 O ASN A 149 18.466 8.252 3.809 1.00 34.23 O ATOM 1562 CB ASN A 149 18.379 6.802 1.314 1.00 43.44 C ATOM 1563 CG ASN A 149 17.945 7.870 0.296 1.00 61.23 C ATOM 1564 OD1 ASN A 149 17.234 8.886 0.729 1.00 1.21 O flip ATOM 1565 ND2 ASN A 149 18.275 7.778 -0.881 1.00 11.11 N flip ATOM 0 H ASN A 149 15.822 7.013 1.157 1.00 24.32 H new ATOM 0 HA ASN A 149 17.669 5.679 3.022 1.00 23.44 H new ATOM 0 HB2 ASN A 149 19.340 7.092 1.738 1.00 43.44 H new ATOM 0 HB3 ASN A 149 18.534 5.859 0.789 1.00 43.44 H new ATOM 0 HD21 ASN A 149 18.827 6.980 -1.195 1.00 11.11 H new ATOM 0 HD22 ASN A 149 17.997 8.499 -1.546 1.00 11.11 H new ATOM 1572 N ASP A 150 16.208 8.218 3.849 1.00 1.14 N ATOM 1573 CA ASP A 150 16.113 9.442 4.671 1.00 21.54 C ATOM 1574 C ASP A 150 14.836 9.472 5.492 1.00 14.20 C ATOM 1575 O ASP A 150 14.860 9.531 6.714 1.00 41.35 O ATOM 1576 CB ASP A 150 16.093 10.636 3.740 1.00 10.12 C ATOM 1577 CG ASP A 150 16.290 11.981 4.439 1.00 2.10 C ATOM 1578 OD1 ASP A 150 15.426 12.413 5.228 1.00 62.34 O ATOM 1579 OD2 ASP A 150 17.316 12.647 4.170 1.00 71.44 O ATOM 0 H ASP A 150 15.314 7.778 3.633 1.00 1.14 H new ATOM 0 HA ASP A 150 16.965 9.464 5.351 1.00 21.54 H new ATOM 0 HB2 ASP A 150 16.875 10.511 2.991 1.00 10.12 H new ATOM 0 HB3 ASP A 150 15.142 10.652 3.208 1.00 10.12 H new ATOM 1584 N LEU A 151 13.718 9.368 4.796 1.00 61.53 N ATOM 1585 CA LEU A 151 12.363 9.516 5.365 1.00 41.21 C ATOM 1586 C LEU A 151 11.937 8.241 6.101 1.00 45.33 C ATOM 1587 O LEU A 151 10.774 8.054 6.443 1.00 51.02 O ATOM 1588 CB LEU A 151 11.404 9.802 4.213 1.00 32.45 C ATOM 1589 CG LEU A 151 11.807 10.947 3.288 1.00 1.32 C ATOM 1590 CD1 LEU A 151 11.289 10.712 1.895 1.00 64.43 C ATOM 1591 CD2 LEU A 151 11.251 12.241 3.782 1.00 64.42 C ATOM 0 H LEU A 151 13.712 9.174 3.795 1.00 61.53 H new ATOM 0 HA LEU A 151 12.351 10.332 6.088 1.00 41.21 H new ATOM 0 HB2 LEU A 151 11.301 8.896 3.616 1.00 32.45 H new ATOM 0 HB3 LEU A 151 10.421 10.023 4.629 1.00 32.45 H new ATOM 0 HG LEU A 151 12.896 10.991 3.275 1.00 1.32 H new ATOM 0 HD11 LEU A 151 11.587 11.540 1.251 1.00 64.43 H new ATOM 0 HD12 LEU A 151 11.703 9.782 1.505 1.00 64.43 H new ATOM 0 HD13 LEU A 151 10.201 10.644 1.918 1.00 64.43 H new ATOM 0 HD21 LEU A 151 11.549 13.045 3.110 1.00 64.42 H new ATOM 0 HD22 LEU A 151 10.163 12.180 3.816 1.00 64.42 H new ATOM 0 HD23 LEU A 151 11.634 12.444 4.782 1.00 64.42 H new ATOM 1603 N THR A 152 12.907 7.410 6.341 1.00 65.53 N ATOM 1604 CA THR A 152 12.779 6.137 7.005 1.00 44.32 C ATOM 1605 C THR A 152 12.499 6.331 8.506 1.00 60.23 C ATOM 1606 O THR A 152 11.944 5.450 9.174 1.00 11.34 O ATOM 1607 CB THR A 152 14.119 5.420 6.807 1.00 61.21 C ATOM 1608 OG1 THR A 152 14.406 5.480 5.420 1.00 24.14 O ATOM 1609 CG2 THR A 152 14.091 3.958 7.237 1.00 30.23 C ATOM 0 H THR A 152 13.868 7.610 6.064 1.00 65.53 H new ATOM 0 HA THR A 152 11.949 5.562 6.595 1.00 44.32 H new ATOM 0 HB THR A 152 14.872 5.910 7.425 1.00 61.21 H new ATOM 0 HG1 THR A 152 13.755 4.938 4.927 1.00 24.14 H new ATOM 0 HG21 THR A 152 15.071 3.511 7.070 1.00 30.23 H new ATOM 0 HG22 THR A 152 13.839 3.895 8.296 1.00 30.23 H new ATOM 0 HG23 THR A 152 13.343 3.421 6.653 1.00 30.23 H new ATOM 1617 N PHE A 153 12.863 7.492 9.013 1.00 53.11 N ATOM 1618 CA PHE A 153 12.707 7.796 10.426 1.00 60.03 C ATOM 1619 C PHE A 153 11.332 8.401 10.698 1.00 71.30 C ATOM 1620 O PHE A 153 10.737 9.051 9.816 1.00 21.24 O ATOM 1621 CB PHE A 153 13.810 8.755 10.892 1.00 54.23 C ATOM 1622 CG PHE A 153 15.214 8.226 10.720 1.00 13.22 C ATOM 1623 CD1 PHE A 153 15.783 7.403 11.678 1.00 2.20 C ATOM 1624 CD2 PHE A 153 15.964 8.557 9.600 1.00 13.24 C ATOM 1625 CE1 PHE A 153 17.068 6.920 11.521 1.00 23.32 C ATOM 1626 CE2 PHE A 153 17.248 8.078 9.438 1.00 41.11 C ATOM 1627 CZ PHE A 153 17.803 7.258 10.399 1.00 53.45 C ATOM 0 H PHE A 153 13.273 8.248 8.464 1.00 53.11 H new ATOM 0 HA PHE A 153 12.792 6.866 10.987 1.00 60.03 H new ATOM 0 HB2 PHE A 153 13.718 9.690 10.340 1.00 54.23 H new ATOM 0 HB3 PHE A 153 13.650 8.989 11.945 1.00 54.23 H new ATOM 0 HD1 PHE A 153 15.216 7.136 12.557 1.00 2.20 H new ATOM 0 HD2 PHE A 153 15.536 9.199 8.844 1.00 13.24 H new ATOM 0 HE1 PHE A 153 17.499 6.278 12.275 1.00 23.32 H new ATOM 0 HE2 PHE A 153 17.818 8.345 8.560 1.00 41.11 H new ATOM 0 HZ PHE A 153 18.808 6.881 10.276 1.00 53.45 H new