USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=35 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 -112:sc= -4.81! USER MOD Set 1.2: A 107 CYS SG : rot 123:sc= 2.08! USER MOD Set 1.3: A 120 HIS : no HE2:sc= -8.11! C(o=-12!,f=-31!) USER MOD Set 1.4: A 125 HIS : +bothHN:sc= -1.16! C(o=-12!,f=-27!) USER MOD Set 2.1: A 100 SER OG : rot -22:sc= 0.154 USER MOD Set 2.2: A 114 TYR OH : rot -2:sc= 0.107 USER MOD Set 3.1: A 72 CYS SG : rot 128:sc= -0.376! USER MOD Set 3.2: A 75 CYS SG : rot -80:sc= -5.4! USER MOD Set 3.3: A 88 HIS : no HE2:sc= -1.67! C(o=-12!,f=-32!) USER MOD Set 3.4: A 93 HIS : no HE2:sc= -4.52! C(o=-12!,f=-17!) USER MOD Set 4.1: A 78 GLN : amide:sc= -3.31! C(o=-5!,f=-8.5!) USER MOD Set 4.2: A 124 TYR OH : rot 179:sc= -1.71! USER MOD Set 5.1: A 73 LYS NZ :NH3+ -139:sc=-0.00144 (180deg=0) USER MOD Set 5.2: A 141 GLN :FLIP amide:sc= -0.95 F(o=-1.9!,f=-0.95) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 170:sc= 0 USER MOD Single : A 83 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -1:sc= 0.4 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.0952 F(o=-1.2!,f=-0.095) USER MOD Single : A 111 THR OG1 : rot 45:sc= 1.29 USER MOD Single : A 112 LYS NZ :NH3+ 142:sc= 0.386 (180deg=-1.55!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -2.92! C(o=-2.9!,f=-6.4!) USER MOD Single : A 123 LYS NZ :NH3+ -125:sc= 1.01 (180deg=-0.0495) USER MOD Single : A 130 ASN :FLIP amide:sc= -0.573 F(o=-3.5!,f=-0.57) 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 146:sc= -0.369 (180deg=-1.38!) USER MOD Single : A 137 LYS NZ :NH3+ -161:sc= 1.22 (180deg=1.02) USER MOD Single : A 139 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 140 ASN : amide:sc= 0.232 X(o=0.23,f=-0.0043) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 146 GLN : amide:sc= -0.937 X(o=-0.94,f=-0.56) USER MOD Single : A 147 THR OG1 : rot -155:sc= -1.79! USER MOD Single : A 149 ASN :FLIP amide:sc= -2.11! C(o=-5!,f=-2.1!) USER MOD Single : A 152 THR OG1 : rot -78:sc= 0.82 USER MOD ----------------------------------------------------------------- ATOM 235 N VAL A 66 -4.248 6.782 -4.568 1.00 41.44 N ATOM 236 CA VAL A 66 -3.926 6.568 -3.210 1.00 62.42 C ATOM 237 C VAL A 66 -4.149 7.892 -2.449 1.00 31.10 C ATOM 238 O VAL A 66 -3.765 8.972 -2.927 1.00 51.24 O ATOM 239 CB VAL A 66 -2.471 6.030 -3.112 1.00 24.41 C ATOM 240 CG1 VAL A 66 -1.421 7.124 -3.189 1.00 72.14 C ATOM 241 CG2 VAL A 66 -2.274 5.098 -1.927 1.00 33.35 C ATOM 0 HA VAL A 66 -4.566 5.815 -2.750 1.00 62.42 H new ATOM 0 HB VAL A 66 -2.317 5.422 -4.004 1.00 24.41 H new ATOM 0 HG11 VAL A 66 -0.428 6.681 -3.115 1.00 72.14 H new ATOM 0 HG12 VAL A 66 -1.513 7.651 -4.139 1.00 72.14 H new ATOM 0 HG13 VAL A 66 -1.567 7.827 -2.369 1.00 72.14 H new ATOM 0 HG21 VAL A 66 -1.241 4.751 -1.905 1.00 33.35 H new ATOM 0 HG22 VAL A 66 -2.497 5.632 -1.003 1.00 33.35 H new ATOM 0 HG23 VAL A 66 -2.942 4.242 -2.022 1.00 33.35 H new ATOM 251 N GLU A 67 -4.808 7.822 -1.324 1.00 13.13 N ATOM 252 CA GLU A 67 -5.211 9.023 -0.629 1.00 54.01 C ATOM 253 C GLU A 67 -4.240 9.429 0.463 1.00 52.35 C ATOM 254 O GLU A 67 -3.410 10.318 0.249 1.00 51.03 O ATOM 255 CB GLU A 67 -6.625 8.849 -0.114 1.00 75.14 C ATOM 256 CG GLU A 67 -7.571 8.437 -1.222 1.00 4.24 C ATOM 257 CD GLU A 67 -7.830 9.543 -2.218 1.00 72.13 C ATOM 258 OE1 GLU A 67 -6.917 9.946 -2.962 1.00 2.41 O ATOM 259 OE2 GLU A 67 -8.955 10.029 -2.278 1.00 52.52 O ATOM 0 H GLU A 67 -5.078 6.951 -0.867 1.00 13.13 H new ATOM 0 HA GLU A 67 -5.194 9.852 -1.337 1.00 54.01 H new ATOM 0 HB2 GLU A 67 -6.636 8.096 0.674 1.00 75.14 H new ATOM 0 HB3 GLU A 67 -6.969 9.783 0.331 1.00 75.14 H new ATOM 0 HG2 GLU A 67 -7.157 7.575 -1.744 1.00 4.24 H new ATOM 0 HG3 GLU A 67 -8.518 8.120 -0.785 1.00 4.24 H new ATOM 266 N GLY A 68 -4.327 8.803 1.620 1.00 34.20 N ATOM 267 CA GLY A 68 -3.398 9.140 2.681 1.00 74.22 C ATOM 268 C GLY A 68 -3.103 7.990 3.612 1.00 12.21 C ATOM 269 O GLY A 68 -2.323 8.128 4.563 1.00 70.22 O ATOM 0 H GLY A 68 -5.009 8.080 1.847 1.00 34.20 H new ATOM 0 HA2 GLY A 68 -2.464 9.487 2.239 1.00 74.22 H new ATOM 0 HA3 GLY A 68 -3.805 9.970 3.259 1.00 74.22 H new ATOM 273 N GLY A 69 -3.695 6.864 3.347 1.00 30.24 N ATOM 274 CA GLY A 69 -3.476 5.733 4.186 1.00 40.45 C ATOM 275 C GLY A 69 -2.762 4.601 3.508 1.00 11.44 C ATOM 276 O GLY A 69 -2.011 4.795 2.571 1.00 5.35 O ATOM 0 H GLY A 69 -4.328 6.708 2.562 1.00 30.24 H new ATOM 0 HA2 GLY A 69 -2.898 6.045 5.056 1.00 40.45 H new ATOM 0 HA3 GLY A 69 -4.437 5.375 4.554 1.00 40.45 H new ATOM 280 N TYR A 70 -3.045 3.416 3.944 1.00 31.32 N ATOM 281 CA TYR A 70 -2.420 2.240 3.416 1.00 52.13 C ATOM 282 C TYR A 70 -3.420 1.449 2.692 1.00 54.22 C ATOM 283 O TYR A 70 -4.452 1.052 3.245 1.00 41.54 O ATOM 284 CB TYR A 70 -1.779 1.422 4.524 1.00 12.01 C ATOM 285 CG TYR A 70 -1.000 2.261 5.494 1.00 13.22 C ATOM 286 CD1 TYR A 70 0.062 3.059 5.080 1.00 32.21 C ATOM 287 CD2 TYR A 70 -1.357 2.287 6.823 1.00 54.02 C ATOM 288 CE1 TYR A 70 0.726 3.863 5.977 1.00 13.30 C ATOM 289 CE2 TYR A 70 -0.699 3.069 7.719 1.00 10.32 C ATOM 290 CZ TYR A 70 0.341 3.862 7.300 1.00 72.02 C ATOM 291 OH TYR A 70 0.986 4.668 8.200 1.00 33.12 O ATOM 0 H TYR A 70 -3.723 3.232 4.684 1.00 31.32 H new ATOM 0 HA TYR A 70 -1.627 2.533 2.728 1.00 52.13 H new ATOM 0 HB2 TYR A 70 -2.555 0.879 5.063 1.00 12.01 H new ATOM 0 HB3 TYR A 70 -1.117 0.677 4.082 1.00 12.01 H new ATOM 0 HD1 TYR A 70 0.368 3.047 4.044 1.00 32.21 H new ATOM 0 HD2 TYR A 70 -2.178 1.672 7.161 1.00 54.02 H new ATOM 0 HE1 TYR A 70 1.542 4.489 5.647 1.00 13.30 H new ATOM 0 HE2 TYR A 70 -0.993 3.067 8.758 1.00 10.32 H new ATOM 0 HH TYR A 70 0.591 4.548 9.089 1.00 33.12 H new ATOM 301 N GLU A 71 -3.171 1.326 1.441 1.00 72.44 N ATOM 302 CA GLU A 71 -3.951 0.528 0.588 1.00 51.34 C ATOM 303 C GLU A 71 -3.358 -0.856 0.593 1.00 25.51 C ATOM 304 O GLU A 71 -2.180 -1.025 0.863 1.00 14.33 O ATOM 305 CB GLU A 71 -3.908 1.080 -0.839 1.00 62.50 C ATOM 306 CG GLU A 71 -4.645 0.203 -1.843 1.00 0.05 C ATOM 307 CD GLU A 71 -4.425 0.610 -3.252 1.00 71.02 C ATOM 308 OE1 GLU A 71 -3.299 0.399 -3.794 1.00 30.52 O ATOM 309 OE2 GLU A 71 -5.361 1.162 -3.855 1.00 4.13 O ATOM 0 H GLU A 71 -2.394 1.794 0.974 1.00 72.44 H new ATOM 0 HA GLU A 71 -4.986 0.518 0.929 1.00 51.34 H new ATOM 0 HB2 GLU A 71 -4.345 2.079 -0.849 1.00 62.50 H new ATOM 0 HB3 GLU A 71 -2.869 1.184 -1.151 1.00 62.50 H new ATOM 0 HG2 GLU A 71 -4.323 -0.831 -1.717 1.00 0.05 H new ATOM 0 HG3 GLU A 71 -5.713 0.233 -1.626 1.00 0.05 H new ATOM 316 N CYS A 72 -4.181 -1.804 0.403 1.00 52.42 N ATOM 317 CA CYS A 72 -3.748 -3.147 0.160 1.00 42.43 C ATOM 318 C CYS A 72 -3.632 -3.390 -1.359 1.00 21.35 C ATOM 319 O CYS A 72 -4.518 -3.051 -2.125 1.00 2.12 O ATOM 320 CB CYS A 72 -4.755 -4.159 0.673 1.00 74.04 C ATOM 321 SG CYS A 72 -5.182 -4.149 2.455 1.00 51.10 S ATOM 0 H CYS A 72 -5.194 -1.685 0.409 1.00 52.42 H new ATOM 0 HA CYS A 72 -2.793 -3.268 0.671 1.00 42.43 H new ATOM 0 HB2 CYS A 72 -5.679 -4.020 0.111 1.00 74.04 H new ATOM 0 HB3 CYS A 72 -4.379 -5.153 0.429 1.00 74.04 H new ATOM 0 HG CYS A 72 -6.473 -4.090 2.591 1.00 51.10 H new ATOM 326 N LYS A 73 -2.574 -4.029 -1.754 1.00 1.22 N ATOM 327 CA LYS A 73 -2.367 -4.509 -3.123 1.00 62.32 C ATOM 328 C LYS A 73 -3.453 -5.531 -3.517 1.00 54.50 C ATOM 329 O LYS A 73 -3.704 -5.798 -4.699 1.00 71.15 O ATOM 330 CB LYS A 73 -0.934 -5.094 -3.177 1.00 54.21 C ATOM 331 CG LYS A 73 -0.581 -6.023 -4.317 1.00 35.22 C ATOM 332 CD LYS A 73 -0.879 -7.463 -3.937 1.00 52.41 C ATOM 333 CE LYS A 73 -0.499 -8.401 -5.028 1.00 33.21 C ATOM 334 NZ LYS A 73 -0.720 -9.823 -4.660 1.00 4.31 N ATOM 0 H LYS A 73 -1.797 -4.247 -1.130 1.00 1.22 H new ATOM 0 HA LYS A 73 -2.457 -3.703 -3.851 1.00 62.32 H new ATOM 0 HB2 LYS A 73 -0.235 -4.258 -3.200 1.00 54.21 H new ATOM 0 HB3 LYS A 73 -0.759 -5.630 -2.245 1.00 54.21 H new ATOM 0 HG2 LYS A 73 -1.149 -5.750 -5.206 1.00 35.22 H new ATOM 0 HG3 LYS A 73 0.475 -5.917 -4.568 1.00 35.22 H new ATOM 0 HD2 LYS A 73 -0.336 -7.721 -3.028 1.00 52.41 H new ATOM 0 HD3 LYS A 73 -1.941 -7.570 -3.716 1.00 52.41 H new ATOM 0 HE2 LYS A 73 -1.077 -8.167 -5.922 1.00 33.21 H new ATOM 0 HE3 LYS A 73 0.551 -8.253 -5.280 1.00 33.21 H new ATOM 0 HZ1 LYS A 73 0.076 -10.398 -5.002 1.00 4.31 H new ATOM 0 HZ2 LYS A 73 -0.789 -9.907 -3.626 1.00 4.31 H new ATOM 0 HZ3 LYS A 73 -1.602 -10.161 -5.094 1.00 4.31 H new ATOM 348 N TYR A 74 -4.113 -6.037 -2.514 1.00 3.13 N ATOM 349 CA TYR A 74 -5.104 -7.054 -2.656 1.00 72.53 C ATOM 350 C TYR A 74 -6.503 -6.555 -2.290 1.00 73.15 C ATOM 351 O TYR A 74 -7.431 -7.344 -2.219 1.00 4.23 O ATOM 352 CB TYR A 74 -4.687 -8.311 -1.850 1.00 52.31 C ATOM 353 CG TYR A 74 -3.686 -8.026 -0.732 1.00 52.05 C ATOM 354 CD1 TYR A 74 -4.095 -7.608 0.504 1.00 21.02 C ATOM 355 CD2 TYR A 74 -2.321 -8.164 -0.947 1.00 12.33 C ATOM 356 CE1 TYR A 74 -3.185 -7.335 1.506 1.00 4.54 C ATOM 357 CE2 TYR A 74 -1.406 -7.889 0.044 1.00 52.13 C ATOM 358 CZ TYR A 74 -1.849 -7.473 1.270 1.00 32.43 C ATOM 359 OH TYR A 74 -0.953 -7.203 2.267 1.00 41.41 O ATOM 0 H TYR A 74 -3.969 -5.741 -1.549 1.00 3.13 H new ATOM 0 HA TYR A 74 -5.164 -7.333 -3.708 1.00 72.53 H new ATOM 0 HB2 TYR A 74 -5.579 -8.766 -1.419 1.00 52.31 H new ATOM 0 HB3 TYR A 74 -4.255 -9.042 -2.534 1.00 52.31 H new ATOM 0 HD1 TYR A 74 -5.150 -7.489 0.700 1.00 21.02 H new ATOM 0 HD2 TYR A 74 -1.969 -8.494 -1.913 1.00 12.33 H new ATOM 0 HE1 TYR A 74 -3.531 -7.012 2.477 1.00 4.54 H new ATOM 0 HE2 TYR A 74 -0.348 -8.001 -0.144 1.00 52.13 H new ATOM 0 HH TYR A 74 -0.042 -7.351 1.937 1.00 41.41 H new ATOM 369 N CYS A 75 -6.644 -5.246 -2.070 1.00 35.03 N ATOM 370 CA CYS A 75 -7.950 -4.644 -1.826 1.00 20.33 C ATOM 371 C CYS A 75 -7.838 -3.136 -1.833 1.00 42.13 C ATOM 372 O CYS A 75 -7.054 -2.564 -1.067 1.00 10.23 O ATOM 373 CB CYS A 75 -8.604 -5.137 -0.492 1.00 10.44 C ATOM 374 SG CYS A 75 -7.866 -4.533 1.112 1.00 34.41 S ATOM 0 H CYS A 75 -5.867 -4.585 -2.056 1.00 35.03 H new ATOM 0 HA CYS A 75 -8.606 -4.965 -2.635 1.00 20.33 H new ATOM 0 HB2 CYS A 75 -9.655 -4.848 -0.507 1.00 10.44 H new ATOM 0 HB3 CYS A 75 -8.573 -6.227 -0.486 1.00 10.44 H new ATOM 0 HG CYS A 75 -6.800 -5.225 1.387 1.00 34.41 H new ATOM 379 N THR A 76 -8.591 -2.469 -2.676 1.00 52.42 N ATOM 380 CA THR A 76 -8.573 -1.034 -2.654 1.00 23.42 C ATOM 381 C THR A 76 -9.509 -0.506 -1.537 1.00 24.23 C ATOM 382 O THR A 76 -10.581 0.072 -1.758 1.00 34.15 O ATOM 383 CB THR A 76 -8.832 -0.402 -4.046 1.00 14.40 C ATOM 384 OG1 THR A 76 -7.858 -0.945 -4.981 1.00 25.52 O ATOM 385 CG2 THR A 76 -8.657 1.117 -4.002 1.00 74.40 C ATOM 0 H THR A 76 -9.209 -2.890 -3.370 1.00 52.42 H new ATOM 0 HA THR A 76 -7.562 -0.710 -2.406 1.00 23.42 H new ATOM 0 HB THR A 76 -9.853 -0.630 -4.351 1.00 14.40 H new ATOM 0 HG1 THR A 76 -8.006 -0.558 -5.869 1.00 25.52 H new ATOM 0 HG21 THR A 76 -8.845 1.534 -4.992 1.00 74.40 H new ATOM 0 HG22 THR A 76 -9.362 1.544 -3.289 1.00 74.40 H new ATOM 0 HG23 THR A 76 -7.639 1.357 -3.694 1.00 74.40 H new ATOM 393 N PHE A 77 -9.112 -0.852 -0.344 1.00 11.40 N ATOM 394 CA PHE A 77 -9.703 -0.444 0.879 1.00 15.00 C ATOM 395 C PHE A 77 -8.552 0.059 1.687 1.00 71.41 C ATOM 396 O PHE A 77 -7.666 -0.712 2.079 1.00 70.52 O ATOM 397 CB PHE A 77 -10.400 -1.622 1.586 1.00 61.43 C ATOM 398 CG PHE A 77 -11.052 -1.248 2.896 1.00 34.41 C ATOM 399 CD1 PHE A 77 -12.309 -0.663 2.918 1.00 73.32 C ATOM 400 CD2 PHE A 77 -10.404 -1.476 4.105 1.00 62.12 C ATOM 401 CE1 PHE A 77 -12.908 -0.314 4.115 1.00 34.42 C ATOM 402 CE2 PHE A 77 -10.997 -1.129 5.303 1.00 3.11 C ATOM 403 CZ PHE A 77 -12.250 -0.547 5.309 1.00 13.21 C ATOM 0 H PHE A 77 -8.312 -1.469 -0.202 1.00 11.40 H new ATOM 0 HA PHE A 77 -10.477 0.310 0.734 1.00 15.00 H new ATOM 0 HB2 PHE A 77 -11.156 -2.037 0.920 1.00 61.43 H new ATOM 0 HB3 PHE A 77 -9.668 -2.409 1.767 1.00 61.43 H new ATOM 0 HD1 PHE A 77 -12.827 -0.477 1.989 1.00 73.32 H new ATOM 0 HD2 PHE A 77 -9.424 -1.930 4.107 1.00 62.12 H new ATOM 0 HE1 PHE A 77 -13.888 0.140 4.117 1.00 34.42 H new ATOM 0 HE2 PHE A 77 -10.482 -1.312 6.234 1.00 3.11 H new ATOM 0 HZ PHE A 77 -12.715 -0.274 6.245 1.00 13.21 H new ATOM 413 N GLN A 78 -8.529 1.319 1.889 1.00 45.43 N ATOM 414 CA GLN A 78 -7.405 1.955 2.470 1.00 30.02 C ATOM 415 C GLN A 78 -7.686 2.449 3.872 1.00 42.14 C ATOM 416 O GLN A 78 -8.799 2.873 4.183 1.00 44.51 O ATOM 417 CB GLN A 78 -6.949 3.084 1.546 1.00 51.54 C ATOM 418 CG GLN A 78 -5.946 4.004 2.161 1.00 23.33 C ATOM 419 CD GLN A 78 -5.336 4.953 1.188 1.00 51.31 C ATOM 420 OE1 GLN A 78 -5.836 6.014 0.924 1.00 61.01 O ATOM 421 NE2 GLN A 78 -4.200 4.623 0.750 1.00 71.43 N ATOM 0 H GLN A 78 -9.296 1.949 1.654 1.00 45.43 H new ATOM 0 HA GLN A 78 -6.600 1.227 2.574 1.00 30.02 H new ATOM 0 HB2 GLN A 78 -6.522 2.650 0.642 1.00 51.54 H new ATOM 0 HB3 GLN A 78 -7.820 3.664 1.241 1.00 51.54 H new ATOM 0 HG2 GLN A 78 -6.426 4.572 2.958 1.00 23.33 H new ATOM 0 HG3 GLN A 78 -5.156 3.411 2.623 1.00 23.33 H new ATOM 0 HE21 GLN A 78 -3.804 3.715 0.993 1.00 71.43 H new ATOM 0 HE22 GLN A 78 -3.678 5.264 0.153 1.00 71.43 H new ATOM 430 N THR A 79 -6.684 2.356 4.716 1.00 4.32 N ATOM 431 CA THR A 79 -6.768 2.873 6.040 1.00 65.43 C ATOM 432 C THR A 79 -5.384 3.385 6.478 1.00 42.55 C ATOM 433 O THR A 79 -4.391 2.691 6.337 1.00 42.15 O ATOM 434 CB THR A 79 -7.349 1.833 7.056 1.00 4.52 C ATOM 435 OG1 THR A 79 -7.466 2.421 8.354 1.00 44.34 O ATOM 436 CG2 THR A 79 -6.486 0.588 7.152 1.00 13.54 C ATOM 0 H THR A 79 -5.791 1.917 4.492 1.00 4.32 H new ATOM 0 HA THR A 79 -7.472 3.706 6.036 1.00 65.43 H new ATOM 0 HB THR A 79 -8.332 1.540 6.687 1.00 4.52 H new ATOM 0 HG1 THR A 79 -7.975 1.823 8.940 1.00 44.34 H new ATOM 0 HG21 THR A 79 -6.927 -0.106 7.868 1.00 13.54 H new ATOM 0 HG22 THR A 79 -6.426 0.111 6.174 1.00 13.54 H new ATOM 0 HG23 THR A 79 -5.485 0.864 7.483 1.00 13.54 H new ATOM 444 N PRO A 80 -5.288 4.662 6.860 1.00 34.33 N ATOM 445 CA PRO A 80 -4.048 5.265 7.402 1.00 2.54 C ATOM 446 C PRO A 80 -3.673 4.750 8.786 1.00 12.12 C ATOM 447 O PRO A 80 -2.614 5.091 9.327 1.00 71.01 O ATOM 448 CB PRO A 80 -4.369 6.759 7.453 1.00 0.32 C ATOM 449 CG PRO A 80 -5.848 6.821 7.494 1.00 33.11 C ATOM 450 CD PRO A 80 -6.332 5.666 6.677 1.00 34.53 C ATOM 0 HA PRO A 80 -3.187 5.015 6.783 1.00 2.54 H new ATOM 0 HB2 PRO A 80 -3.928 7.230 8.332 1.00 0.32 H new ATOM 0 HB3 PRO A 80 -3.974 7.280 6.580 1.00 0.32 H new ATOM 0 HG2 PRO A 80 -6.213 6.754 8.519 1.00 33.11 H new ATOM 0 HG3 PRO A 80 -6.210 7.765 7.088 1.00 33.11 H new ATOM 0 HD2 PRO A 80 -7.301 5.306 7.024 1.00 34.53 H new ATOM 0 HD3 PRO A 80 -6.450 5.937 5.628 1.00 34.53 H new ATOM 458 N ASP A 81 -4.523 3.940 9.352 1.00 15.13 N ATOM 459 CA ASP A 81 -4.247 3.352 10.621 1.00 44.40 C ATOM 460 C ASP A 81 -3.560 2.041 10.361 1.00 5.00 C ATOM 461 O ASP A 81 -4.206 1.086 9.942 1.00 13.14 O ATOM 462 CB ASP A 81 -5.535 3.122 11.428 1.00 62.44 C ATOM 463 CG ASP A 81 -6.277 4.390 11.800 1.00 32.14 C ATOM 464 OD1 ASP A 81 -7.085 4.896 10.986 1.00 52.41 O ATOM 465 OD2 ASP A 81 -6.091 4.890 12.918 1.00 0.12 O ATOM 0 H ASP A 81 -5.420 3.674 8.945 1.00 15.13 H new ATOM 0 HA ASP A 81 -3.618 4.019 11.210 1.00 44.40 H new ATOM 0 HB2 ASP A 81 -6.202 2.482 10.850 1.00 62.44 H new ATOM 0 HB3 ASP A 81 -5.285 2.581 12.341 1.00 62.44 H new ATOM 470 N LEU A 82 -2.238 2.019 10.543 1.00 53.40 N ATOM 471 CA LEU A 82 -1.397 0.855 10.296 1.00 50.10 C ATOM 472 C LEU A 82 -1.980 -0.372 10.977 1.00 40.21 C ATOM 473 O LEU A 82 -2.093 -1.419 10.353 1.00 44.12 O ATOM 474 CB LEU A 82 0.032 1.124 10.813 1.00 2.55 C ATOM 475 CG LEU A 82 1.209 0.335 10.176 1.00 64.43 C ATOM 476 CD1 LEU A 82 1.028 -1.163 10.260 1.00 12.33 C ATOM 477 CD2 LEU A 82 1.408 0.756 8.750 1.00 2.32 C ATOM 0 H LEU A 82 -1.715 2.830 10.874 1.00 53.40 H new ATOM 0 HA LEU A 82 -1.358 0.668 9.223 1.00 50.10 H new ATOM 0 HB2 LEU A 82 0.237 2.187 10.685 1.00 2.55 H new ATOM 0 HB3 LEU A 82 0.040 0.925 11.885 1.00 2.55 H new ATOM 0 HG LEU A 82 2.100 0.577 10.756 1.00 64.43 H new ATOM 0 HD11 LEU A 82 1.882 -1.659 9.799 1.00 12.33 H new ATOM 0 HD12 LEU A 82 0.956 -1.463 11.305 1.00 12.33 H new ATOM 0 HD13 LEU A 82 0.116 -1.449 9.737 1.00 12.33 H new ATOM 0 HD21 LEU A 82 2.236 0.195 8.317 1.00 2.32 H new ATOM 0 HD22 LEU A 82 0.499 0.558 8.182 1.00 2.32 H new ATOM 0 HD23 LEU A 82 1.634 1.822 8.713 1.00 2.32 H new ATOM 489 N ASN A 83 -2.379 -0.227 12.238 1.00 75.25 N ATOM 490 CA ASN A 83 -2.953 -1.323 12.990 1.00 62.33 C ATOM 491 C ASN A 83 -4.141 -1.873 12.267 1.00 14.15 C ATOM 492 O ASN A 83 -4.224 -3.054 12.045 1.00 0.13 O ATOM 493 CB ASN A 83 -3.394 -0.889 14.382 1.00 30.11 C ATOM 494 CG ASN A 83 -3.951 -2.028 15.207 1.00 75.30 C ATOM 495 OD1 ASN A 83 -3.509 -3.205 14.957 1.00 44.01 O flip ATOM 496 ND2 ASN A 83 -4.819 -1.832 16.053 1.00 14.54 N flip ATOM 0 H ASN A 83 -2.312 0.648 12.757 1.00 75.25 H new ATOM 0 HA ASN A 83 -2.178 -2.083 13.090 1.00 62.33 H new ATOM 0 HB2 ASN A 83 -2.545 -0.450 14.906 1.00 30.11 H new ATOM 0 HB3 ASN A 83 -4.151 -0.110 14.291 1.00 30.11 H new ATOM 0 HD21 ASN A 83 -5.152 -0.885 16.232 1.00 14.54 H new ATOM 0 HD22 ASN A 83 -5.207 -2.616 16.577 1.00 14.54 H new ATOM 503 N MET A 84 -5.001 -1.000 11.816 1.00 21.43 N ATOM 504 CA MET A 84 -6.230 -1.429 11.188 1.00 73.44 C ATOM 505 C MET A 84 -5.927 -1.980 9.811 1.00 21.24 C ATOM 506 O MET A 84 -6.647 -2.840 9.295 1.00 54.24 O ATOM 507 CB MET A 84 -7.229 -0.284 11.092 1.00 51.21 C ATOM 508 CG MET A 84 -7.439 0.434 12.404 1.00 32.04 C ATOM 509 SD MET A 84 -8.078 -0.638 13.711 1.00 25.11 S ATOM 510 CE MET A 84 -7.978 0.472 15.117 1.00 71.21 C ATOM 0 H MET A 84 -4.878 0.011 11.870 1.00 21.43 H new ATOM 0 HA MET A 84 -6.680 -2.210 11.802 1.00 73.44 H new ATOM 0 HB2 MET A 84 -6.882 0.431 10.346 1.00 51.21 H new ATOM 0 HB3 MET A 84 -8.185 -0.673 10.741 1.00 51.21 H new ATOM 0 HG2 MET A 84 -6.493 0.867 12.729 1.00 32.04 H new ATOM 0 HG3 MET A 84 -8.132 1.261 12.251 1.00 32.04 H new ATOM 0 HE1 MET A 84 -8.338 -0.039 16.010 1.00 71.21 H new ATOM 0 HE2 MET A 84 -6.943 0.778 15.266 1.00 71.21 H new ATOM 0 HE3 MET A 84 -8.593 1.352 14.930 1.00 71.21 H new ATOM 520 N PHE A 85 -4.856 -1.475 9.216 1.00 11.01 N ATOM 521 CA PHE A 85 -4.403 -1.961 7.943 1.00 44.02 C ATOM 522 C PHE A 85 -3.948 -3.397 8.070 1.00 11.44 C ATOM 523 O PHE A 85 -4.529 -4.277 7.464 1.00 32.01 O ATOM 524 CB PHE A 85 -3.261 -1.072 7.403 1.00 61.21 C ATOM 525 CG PHE A 85 -2.566 -1.647 6.196 1.00 44.11 C ATOM 526 CD1 PHE A 85 -3.212 -1.739 4.971 1.00 3.12 C ATOM 527 CD2 PHE A 85 -1.257 -2.100 6.293 1.00 1.52 C ATOM 528 CE1 PHE A 85 -2.567 -2.270 3.874 1.00 63.31 C ATOM 529 CE2 PHE A 85 -0.610 -2.632 5.197 1.00 63.15 C ATOM 530 CZ PHE A 85 -1.265 -2.717 3.986 1.00 74.43 C ATOM 0 H PHE A 85 -4.288 -0.723 9.607 1.00 11.01 H new ATOM 0 HA PHE A 85 -5.230 -1.920 7.234 1.00 44.02 H new ATOM 0 HB2 PHE A 85 -3.665 -0.093 7.147 1.00 61.21 H new ATOM 0 HB3 PHE A 85 -2.528 -0.917 8.194 1.00 61.21 H new ATOM 0 HD1 PHE A 85 -4.230 -1.391 4.876 1.00 3.12 H new ATOM 0 HD2 PHE A 85 -0.739 -2.035 7.238 1.00 1.52 H new ATOM 0 HE1 PHE A 85 -3.080 -2.336 2.926 1.00 63.31 H new ATOM 0 HE2 PHE A 85 0.408 -2.981 5.287 1.00 63.15 H new ATOM 0 HZ PHE A 85 -0.760 -3.133 3.126 1.00 74.43 H new ATOM 540 N THR A 86 -3.021 -3.638 8.964 1.00 24.11 N ATOM 541 CA THR A 86 -2.463 -4.964 9.122 1.00 21.24 C ATOM 542 C THR A 86 -3.469 -5.910 9.774 1.00 63.22 C ATOM 543 O THR A 86 -3.466 -7.106 9.504 1.00 54.44 O ATOM 544 CB THR A 86 -1.076 -4.956 9.858 1.00 73.22 C ATOM 545 OG1 THR A 86 -0.559 -6.286 10.019 1.00 64.13 O ATOM 546 CG2 THR A 86 -1.151 -4.270 11.202 1.00 71.32 C ATOM 0 H THR A 86 -2.635 -2.935 9.595 1.00 24.11 H new ATOM 0 HA THR A 86 -2.258 -5.348 8.122 1.00 21.24 H new ATOM 0 HB THR A 86 -0.395 -4.388 9.224 1.00 73.22 H new ATOM 0 HG1 THR A 86 0.306 -6.247 10.479 1.00 64.13 H new ATOM 0 HG21 THR A 86 -0.169 -4.288 11.675 1.00 71.32 H new ATOM 0 HG22 THR A 86 -1.469 -3.236 11.066 1.00 71.32 H new ATOM 0 HG23 THR A 86 -1.869 -4.790 11.836 1.00 71.32 H new ATOM 554 N PHE A 87 -4.360 -5.359 10.578 1.00 43.34 N ATOM 555 CA PHE A 87 -5.411 -6.134 11.193 1.00 21.42 C ATOM 556 C PHE A 87 -6.371 -6.646 10.154 1.00 13.54 C ATOM 557 O PHE A 87 -6.652 -7.839 10.109 1.00 40.53 O ATOM 558 CB PHE A 87 -6.149 -5.336 12.279 1.00 72.34 C ATOM 559 CG PHE A 87 -7.473 -5.928 12.687 1.00 11.12 C ATOM 560 CD1 PHE A 87 -7.549 -7.187 13.261 1.00 54.22 C ATOM 561 CD2 PHE A 87 -8.641 -5.216 12.491 1.00 72.33 C ATOM 562 CE1 PHE A 87 -8.763 -7.723 13.626 1.00 35.13 C ATOM 563 CE2 PHE A 87 -9.857 -5.746 12.854 1.00 61.23 C ATOM 564 CZ PHE A 87 -9.918 -7.002 13.423 1.00 43.23 C ATOM 0 H PHE A 87 -4.372 -4.368 10.819 1.00 43.34 H new ATOM 0 HA PHE A 87 -4.945 -6.989 11.683 1.00 21.42 H new ATOM 0 HB2 PHE A 87 -5.509 -5.263 13.159 1.00 72.34 H new ATOM 0 HB3 PHE A 87 -6.313 -4.320 11.920 1.00 72.34 H new ATOM 0 HD1 PHE A 87 -6.645 -7.754 13.424 1.00 54.22 H new ATOM 0 HD2 PHE A 87 -8.598 -4.232 12.048 1.00 72.33 H new ATOM 0 HE1 PHE A 87 -8.809 -8.706 14.070 1.00 35.13 H new ATOM 0 HE2 PHE A 87 -10.763 -5.180 12.694 1.00 61.23 H new ATOM 0 HZ PHE A 87 -10.872 -7.419 13.709 1.00 43.23 H new ATOM 574 N HIS A 88 -6.857 -5.760 9.291 1.00 43.52 N ATOM 575 CA HIS A 88 -7.785 -6.187 8.278 1.00 43.40 C ATOM 576 C HIS A 88 -7.071 -7.107 7.290 1.00 73.30 C ATOM 577 O HIS A 88 -7.677 -7.959 6.693 1.00 71.31 O ATOM 578 CB HIS A 88 -8.563 -5.015 7.603 1.00 5.43 C ATOM 579 CG HIS A 88 -7.960 -4.392 6.369 1.00 55.01 C ATOM 580 ND1 HIS A 88 -7.322 -3.174 6.345 1.00 51.42 N ATOM 581 CD2 HIS A 88 -7.991 -4.831 5.089 1.00 51.35 C ATOM 582 CE1 HIS A 88 -6.993 -2.902 5.082 1.00 45.32 C ATOM 583 NE2 HIS A 88 -7.384 -3.902 4.253 1.00 62.43 N ATOM 0 H HIS A 88 -6.624 -4.767 9.279 1.00 43.52 H new ATOM 0 HA HIS A 88 -8.576 -6.761 8.761 1.00 43.40 H new ATOM 0 HB2 HIS A 88 -9.557 -5.378 7.344 1.00 5.43 H new ATOM 0 HB3 HIS A 88 -8.695 -4.228 8.346 1.00 5.43 H new ATOM 0 HD1 HIS A 88 -7.133 -2.581 7.153 1.00 51.42 H new ATOM 0 HD2 HIS A 88 -8.424 -5.766 4.765 1.00 51.35 H new ATOM 0 HE1 HIS A 88 -6.483 -2.005 4.762 1.00 45.32 H new ATOM 591 N VAL A 89 -5.774 -6.909 7.129 1.00 24.24 N ATOM 592 CA VAL A 89 -4.980 -7.781 6.297 1.00 41.23 C ATOM 593 C VAL A 89 -4.958 -9.177 6.898 1.00 4.51 C ATOM 594 O VAL A 89 -5.389 -10.103 6.273 1.00 64.44 O ATOM 595 CB VAL A 89 -3.532 -7.259 6.087 1.00 4.41 C ATOM 596 CG1 VAL A 89 -2.660 -8.308 5.417 1.00 23.31 C ATOM 597 CG2 VAL A 89 -3.526 -5.999 5.245 1.00 33.24 C ATOM 0 H VAL A 89 -5.252 -6.149 7.566 1.00 24.24 H new ATOM 0 HA VAL A 89 -5.447 -7.807 5.312 1.00 41.23 H new ATOM 0 HB VAL A 89 -3.126 -7.036 7.074 1.00 4.41 H new ATOM 0 HG11 VAL A 89 -1.653 -7.913 5.284 1.00 23.31 H new ATOM 0 HG12 VAL A 89 -2.620 -9.201 6.041 1.00 23.31 H new ATOM 0 HG13 VAL A 89 -3.081 -8.564 4.445 1.00 23.31 H new ATOM 0 HG21 VAL A 89 -2.500 -5.654 5.113 1.00 33.24 H new ATOM 0 HG22 VAL A 89 -3.966 -6.211 4.270 1.00 33.24 H new ATOM 0 HG23 VAL A 89 -4.107 -5.224 5.745 1.00 33.24 H new ATOM 607 N ASP A 90 -4.549 -9.285 8.148 1.00 43.32 N ATOM 608 CA ASP A 90 -4.440 -10.585 8.844 1.00 22.21 C ATOM 609 C ASP A 90 -5.802 -11.270 8.946 1.00 35.41 C ATOM 610 O ASP A 90 -5.907 -12.493 8.999 1.00 71.22 O ATOM 611 CB ASP A 90 -3.843 -10.384 10.246 1.00 33.14 C ATOM 612 CG ASP A 90 -3.625 -11.679 11.013 1.00 64.04 C ATOM 613 OD1 ASP A 90 -2.614 -12.383 10.756 1.00 10.23 O ATOM 614 OD2 ASP A 90 -4.427 -12.009 11.902 1.00 10.23 O ATOM 0 H ASP A 90 -4.280 -8.486 8.722 1.00 43.32 H new ATOM 0 HA ASP A 90 -3.780 -11.228 8.262 1.00 22.21 H new ATOM 0 HB2 ASP A 90 -2.890 -9.863 10.153 1.00 33.14 H new ATOM 0 HB3 ASP A 90 -4.505 -9.738 10.823 1.00 33.14 H new ATOM 619 N SER A 91 -6.823 -10.470 8.933 1.00 55.44 N ATOM 620 CA SER A 91 -8.173 -10.939 9.035 1.00 72.11 C ATOM 621 C SER A 91 -8.735 -11.345 7.664 1.00 13.04 C ATOM 622 O SER A 91 -9.261 -12.448 7.494 1.00 70.31 O ATOM 623 CB SER A 91 -9.043 -9.841 9.671 1.00 20.12 C ATOM 624 OG SER A 91 -10.404 -10.232 9.799 1.00 51.11 O ATOM 0 H SER A 91 -6.742 -9.457 8.850 1.00 55.44 H new ATOM 0 HA SER A 91 -8.186 -11.828 9.665 1.00 72.11 H new ATOM 0 HB2 SER A 91 -8.646 -9.591 10.655 1.00 20.12 H new ATOM 0 HB3 SER A 91 -8.983 -8.937 9.064 1.00 20.12 H new ATOM 0 HG SER A 91 -10.916 -9.504 10.209 1.00 51.11 H new ATOM 630 N GLU A 92 -8.594 -10.486 6.691 1.00 31.12 N ATOM 631 CA GLU A 92 -9.264 -10.690 5.413 1.00 33.02 C ATOM 632 C GLU A 92 -8.381 -11.367 4.383 1.00 23.33 C ATOM 633 O GLU A 92 -8.815 -12.292 3.690 1.00 73.33 O ATOM 634 CB GLU A 92 -9.813 -9.362 4.888 1.00 13.45 C ATOM 635 CG GLU A 92 -10.842 -8.741 5.818 1.00 31.10 C ATOM 636 CD GLU A 92 -11.337 -7.384 5.371 1.00 10.45 C ATOM 637 OE1 GLU A 92 -11.525 -7.166 4.153 1.00 35.12 O ATOM 638 OE2 GLU A 92 -11.546 -6.500 6.238 1.00 63.13 O ATOM 0 H GLU A 92 -8.027 -9.640 6.747 1.00 31.12 H new ATOM 0 HA GLU A 92 -10.095 -11.373 5.590 1.00 33.02 H new ATOM 0 HB2 GLU A 92 -8.988 -8.663 4.748 1.00 13.45 H new ATOM 0 HB3 GLU A 92 -10.265 -9.522 3.909 1.00 13.45 H new ATOM 0 HG2 GLU A 92 -11.693 -9.416 5.904 1.00 31.10 H new ATOM 0 HG3 GLU A 92 -10.407 -8.648 6.813 1.00 31.10 H new ATOM 645 N HIS A 93 -7.140 -10.967 4.329 1.00 51.34 N ATOM 646 CA HIS A 93 -6.199 -11.472 3.341 1.00 61.32 C ATOM 647 C HIS A 93 -4.863 -11.819 4.002 1.00 61.15 C ATOM 648 O HIS A 93 -3.847 -11.156 3.757 1.00 42.42 O ATOM 649 CB HIS A 93 -5.991 -10.457 2.168 1.00 20.43 C ATOM 650 CG HIS A 93 -6.626 -9.076 2.365 1.00 24.24 C ATOM 651 ND1 HIS A 93 -7.882 -8.750 1.923 1.00 53.10 N ATOM 652 CD2 HIS A 93 -6.134 -7.944 2.957 1.00 60.33 C ATOM 653 CE1 HIS A 93 -8.128 -7.482 2.232 1.00 14.13 C ATOM 654 NE2 HIS A 93 -7.086 -6.913 2.872 1.00 23.04 N ATOM 0 H HIS A 93 -6.742 -10.279 4.968 1.00 51.34 H new ATOM 0 HA HIS A 93 -6.623 -12.381 2.914 1.00 61.32 H new ATOM 0 HB2 HIS A 93 -4.920 -10.325 2.011 1.00 20.43 H new ATOM 0 HB3 HIS A 93 -6.395 -10.896 1.256 1.00 20.43 H new ATOM 0 HD1 HIS A 93 -8.522 -9.378 1.437 1.00 53.10 H new ATOM 0 HD2 HIS A 93 -5.162 -7.856 3.419 1.00 60.33 H new ATOM 0 HE1 HIS A 93 -9.050 -6.969 1.999 1.00 14.13 H new ATOM 755 N SER A 100 3.997 -9.412 -9.279 1.00 22.13 N ATOM 756 CA SER A 100 4.897 -8.305 -9.084 1.00 1.12 C ATOM 757 C SER A 100 4.123 -7.104 -8.514 1.00 21.51 C ATOM 758 O SER A 100 3.106 -6.686 -9.090 1.00 41.15 O ATOM 759 CB SER A 100 5.542 -7.943 -10.427 1.00 64.13 C ATOM 760 OG SER A 100 4.541 -7.701 -11.418 1.00 54.21 O ATOM 0 HA SER A 100 5.679 -8.579 -8.376 1.00 1.12 H new ATOM 0 HB2 SER A 100 6.166 -7.057 -10.309 1.00 64.13 H new ATOM 0 HB3 SER A 100 6.195 -8.753 -10.753 1.00 64.13 H new ATOM 0 HG SER A 100 3.707 -8.145 -11.156 1.00 54.21 H new ATOM 766 N SER A 101 4.543 -6.601 -7.367 1.00 43.44 N ATOM 767 CA SER A 101 3.963 -5.440 -6.772 1.00 72.12 C ATOM 768 C SER A 101 5.024 -4.693 -5.976 1.00 71.12 C ATOM 769 O SER A 101 6.143 -5.203 -5.806 1.00 63.40 O ATOM 770 CB SER A 101 2.793 -5.833 -5.887 1.00 50.21 C ATOM 771 OG SER A 101 1.765 -6.457 -6.641 1.00 43.23 O ATOM 0 H SER A 101 5.308 -7.003 -6.826 1.00 43.44 H new ATOM 0 HA SER A 101 3.585 -4.781 -7.553 1.00 72.12 H new ATOM 0 HB2 SER A 101 3.137 -6.511 -5.105 1.00 50.21 H new ATOM 0 HB3 SER A 101 2.396 -4.948 -5.390 1.00 50.21 H new ATOM 0 HG SER A 101 2.022 -6.483 -7.586 1.00 43.23 H new ATOM 777 N TYR A 102 4.677 -3.516 -5.498 1.00 44.15 N ATOM 778 CA TYR A 102 5.584 -2.664 -4.753 1.00 14.25 C ATOM 779 C TYR A 102 5.017 -2.340 -3.382 1.00 24.43 C ATOM 780 O TYR A 102 3.802 -2.124 -3.228 1.00 20.22 O ATOM 781 CB TYR A 102 5.844 -1.369 -5.502 1.00 72.24 C ATOM 782 CG TYR A 102 7.003 -1.338 -6.479 1.00 14.45 C ATOM 783 CD1 TYR A 102 7.359 -2.431 -7.249 1.00 24.14 C ATOM 784 CD2 TYR A 102 7.741 -0.172 -6.619 1.00 42.41 C ATOM 785 CE1 TYR A 102 8.420 -2.360 -8.136 1.00 24.42 C ATOM 786 CE2 TYR A 102 8.793 -0.093 -7.501 1.00 74.44 C ATOM 787 CZ TYR A 102 9.129 -1.186 -8.257 1.00 74.20 C ATOM 788 OH TYR A 102 10.184 -1.103 -9.146 1.00 32.34 O ATOM 0 H TYR A 102 3.745 -3.118 -5.617 1.00 44.15 H new ATOM 0 HA TYR A 102 6.522 -3.207 -4.635 1.00 14.25 H new ATOM 0 HB2 TYR A 102 4.937 -1.111 -6.049 1.00 72.24 H new ATOM 0 HB3 TYR A 102 6.006 -0.583 -4.765 1.00 72.24 H new ATOM 0 HD1 TYR A 102 6.802 -3.352 -7.157 1.00 24.14 H new ATOM 0 HD2 TYR A 102 7.484 0.691 -6.023 1.00 42.41 H new ATOM 0 HE1 TYR A 102 8.690 -3.221 -8.730 1.00 24.42 H new ATOM 0 HE2 TYR A 102 9.352 0.826 -7.598 1.00 74.44 H new ATOM 0 HH TYR A 102 10.575 -0.205 -9.107 1.00 32.34 H new ATOM 798 N VAL A 103 5.885 -2.318 -2.405 1.00 12.52 N ATOM 799 CA VAL A 103 5.525 -2.039 -1.032 1.00 34.31 C ATOM 800 C VAL A 103 6.485 -1.005 -0.432 1.00 63.34 C ATOM 801 O VAL A 103 7.664 -0.996 -0.731 1.00 30.21 O ATOM 802 CB VAL A 103 5.571 -3.366 -0.197 1.00 0.40 C ATOM 803 CG1 VAL A 103 6.903 -3.953 -0.244 1.00 5.23 C ATOM 804 CG2 VAL A 103 5.190 -3.198 1.245 1.00 41.41 C ATOM 0 H VAL A 103 6.880 -2.496 -2.539 1.00 12.52 H new ATOM 0 HA VAL A 103 4.514 -1.632 -1.004 1.00 34.31 H new ATOM 0 HB VAL A 103 4.830 -4.017 -0.662 1.00 0.40 H new ATOM 0 HG11 VAL A 103 6.916 -4.873 0.341 1.00 5.23 H new ATOM 0 HG12 VAL A 103 7.166 -4.177 -1.278 1.00 5.23 H new ATOM 0 HG13 VAL A 103 7.625 -3.250 0.170 1.00 5.23 H new ATOM 0 HG21 VAL A 103 5.248 -4.162 1.751 1.00 41.41 H new ATOM 0 HG22 VAL A 103 5.873 -2.496 1.722 1.00 41.41 H new ATOM 0 HG23 VAL A 103 4.172 -2.814 1.310 1.00 41.41 H new ATOM 814 N CYS A 104 5.974 -0.126 0.373 1.00 54.31 N ATOM 815 CA CYS A 104 6.811 0.800 1.096 1.00 11.01 C ATOM 816 C CYS A 104 7.282 0.056 2.292 1.00 45.44 C ATOM 817 O CYS A 104 6.503 -0.189 3.155 1.00 34.51 O ATOM 818 CB CYS A 104 5.975 2.033 1.523 1.00 41.41 C ATOM 819 SG CYS A 104 6.780 3.291 2.680 1.00 50.11 S ATOM 0 H CYS A 104 4.975 -0.025 0.551 1.00 54.31 H new ATOM 0 HA CYS A 104 7.645 1.161 0.494 1.00 11.01 H new ATOM 0 HB2 CYS A 104 5.669 2.559 0.619 1.00 41.41 H new ATOM 0 HB3 CYS A 104 5.066 1.670 2.004 1.00 41.41 H new ATOM 0 HG CYS A 104 6.186 3.259 3.836 1.00 50.11 H new ATOM 824 N VAL A 105 8.531 -0.377 2.303 1.00 1.41 N ATOM 825 CA VAL A 105 9.105 -1.130 3.434 1.00 45.33 C ATOM 826 C VAL A 105 8.954 -0.355 4.715 1.00 50.32 C ATOM 827 O VAL A 105 8.728 -0.920 5.775 1.00 1.05 O ATOM 828 CB VAL A 105 10.606 -1.392 3.258 1.00 1.42 C ATOM 829 CG1 VAL A 105 10.932 -2.800 3.538 1.00 51.25 C ATOM 830 CG2 VAL A 105 11.094 -1.007 1.907 1.00 64.25 C ATOM 0 H VAL A 105 9.185 -0.223 1.535 1.00 1.41 H new ATOM 0 HA VAL A 105 8.564 -2.076 3.467 1.00 45.33 H new ATOM 0 HB VAL A 105 11.121 -0.760 3.982 1.00 1.42 H new ATOM 0 HG11 VAL A 105 12.002 -2.959 3.406 1.00 51.25 H new ATOM 0 HG12 VAL A 105 10.653 -3.041 4.564 1.00 51.25 H new ATOM 0 HG13 VAL A 105 10.382 -3.444 2.852 1.00 51.25 H new ATOM 0 HG21 VAL A 105 12.162 -1.212 1.834 1.00 64.25 H new ATOM 0 HG22 VAL A 105 10.561 -1.582 1.150 1.00 64.25 H new ATOM 0 HG23 VAL A 105 10.917 0.056 1.746 1.00 64.25 H new ATOM 840 N GLU A 106 9.022 0.952 4.578 1.00 0.00 N ATOM 841 CA GLU A 106 8.962 1.874 5.690 1.00 24.31 C ATOM 842 C GLU A 106 7.641 1.732 6.413 1.00 24.32 C ATOM 843 O GLU A 106 7.570 1.764 7.637 1.00 43.21 O ATOM 844 CB GLU A 106 9.094 3.305 5.177 1.00 30.01 C ATOM 845 CG GLU A 106 10.217 3.527 4.174 1.00 20.01 C ATOM 846 CD GLU A 106 11.599 3.358 4.746 1.00 0.34 C ATOM 847 OE1 GLU A 106 11.806 2.485 5.630 1.00 34.53 O ATOM 848 OE2 GLU A 106 12.494 4.090 4.317 1.00 12.01 O ATOM 0 H GLU A 106 9.122 1.411 3.673 1.00 0.00 H new ATOM 0 HA GLU A 106 9.778 1.648 6.377 1.00 24.31 H new ATOM 0 HB2 GLU A 106 8.151 3.598 4.715 1.00 30.01 H new ATOM 0 HB3 GLU A 106 9.251 3.967 6.028 1.00 30.01 H new ATOM 0 HG2 GLU A 106 10.092 2.830 3.345 1.00 20.01 H new ATOM 0 HG3 GLU A 106 10.127 4.532 3.762 1.00 20.01 H new ATOM 855 N CYS A 107 6.607 1.547 5.641 1.00 73.02 N ATOM 856 CA CYS A 107 5.262 1.437 6.198 1.00 24.02 C ATOM 857 C CYS A 107 4.793 -0.001 6.203 1.00 31.25 C ATOM 858 O CYS A 107 3.866 -0.350 6.919 1.00 31.23 O ATOM 859 CB CYS A 107 4.323 2.234 5.326 1.00 2.53 C ATOM 860 SG CYS A 107 4.928 3.915 4.962 1.00 41.22 S ATOM 0 H CYS A 107 6.656 1.468 4.625 1.00 73.02 H new ATOM 0 HA CYS A 107 5.274 1.809 7.222 1.00 24.02 H new ATOM 0 HB2 CYS A 107 4.168 1.700 4.388 1.00 2.53 H new ATOM 0 HB3 CYS A 107 3.353 2.303 5.818 1.00 2.53 H new ATOM 0 HG CYS A 107 5.002 4.080 3.675 1.00 41.22 H new ATOM 865 N ASN A 108 5.478 -0.813 5.429 1.00 31.41 N ATOM 866 CA ASN A 108 5.071 -2.165 5.107 1.00 43.42 C ATOM 867 C ASN A 108 3.647 -2.169 4.575 1.00 73.33 C ATOM 868 O ASN A 108 2.722 -2.695 5.203 1.00 63.22 O ATOM 869 CB ASN A 108 5.247 -3.102 6.281 1.00 42.25 C ATOM 870 CG ASN A 108 6.675 -3.481 6.578 1.00 21.31 C ATOM 871 OD1 ASN A 108 7.478 -3.669 5.563 1.00 33.12 O flip ATOM 872 ND2 ASN A 108 7.042 -3.655 7.739 1.00 62.11 N flip ATOM 0 H ASN A 108 6.360 -0.544 4.993 1.00 31.41 H new ATOM 0 HA ASN A 108 5.725 -2.542 4.321 1.00 43.42 H new ATOM 0 HB2 ASN A 108 4.818 -2.636 7.168 1.00 42.25 H new ATOM 0 HB3 ASN A 108 4.676 -4.011 6.091 1.00 42.25 H new ATOM 0 HD21 ASN A 108 6.391 -3.500 8.508 1.00 62.11 H new ATOM 0 HD22 ASN A 108 7.998 -3.955 7.932 1.00 62.11 H new ATOM 879 N PHE A 109 3.468 -1.534 3.426 1.00 34.42 N ATOM 880 CA PHE A 109 2.156 -1.457 2.814 1.00 14.10 C ATOM 881 C PHE A 109 2.293 -1.723 1.337 1.00 22.13 C ATOM 882 O PHE A 109 3.111 -1.079 0.647 1.00 33.33 O ATOM 883 CB PHE A 109 1.438 -0.097 3.094 1.00 71.43 C ATOM 884 CG PHE A 109 1.390 0.902 1.945 1.00 65.14 C ATOM 885 CD1 PHE A 109 0.339 0.880 1.043 1.00 31.43 C ATOM 886 CD2 PHE A 109 2.378 1.848 1.778 1.00 34.14 C ATOM 887 CE1 PHE A 109 0.274 1.782 0.000 1.00 72.20 C ATOM 888 CE2 PHE A 109 2.314 2.757 0.724 1.00 1.12 C ATOM 889 CZ PHE A 109 1.263 2.721 -0.158 1.00 23.43 C ATOM 0 H PHE A 109 4.211 -1.069 2.904 1.00 34.42 H new ATOM 0 HA PHE A 109 1.518 -2.218 3.264 1.00 14.10 H new ATOM 0 HB2 PHE A 109 0.414 -0.310 3.402 1.00 71.43 H new ATOM 0 HB3 PHE A 109 1.933 0.381 3.940 1.00 71.43 H new ATOM 0 HD1 PHE A 109 -0.443 0.144 1.158 1.00 31.43 H new ATOM 0 HD2 PHE A 109 3.207 1.885 2.469 1.00 34.14 H new ATOM 0 HE1 PHE A 109 -0.555 1.749 -0.692 1.00 72.20 H new ATOM 0 HE2 PHE A 109 3.095 3.493 0.601 1.00 1.12 H new ATOM 0 HZ PHE A 109 1.214 3.428 -0.973 1.00 23.43 H new ATOM 899 N LEU A 110 1.563 -2.678 0.875 1.00 3.22 N ATOM 900 CA LEU A 110 1.612 -3.092 -0.492 1.00 61.50 C ATOM 901 C LEU A 110 0.535 -2.424 -1.272 1.00 61.43 C ATOM 902 O LEU A 110 -0.588 -2.420 -0.858 1.00 71.22 O ATOM 903 CB LEU A 110 1.425 -4.596 -0.587 1.00 64.05 C ATOM 904 CG LEU A 110 2.657 -5.435 -0.843 1.00 45.10 C ATOM 905 CD1 LEU A 110 2.301 -6.897 -0.722 1.00 62.12 C ATOM 906 CD2 LEU A 110 3.193 -5.165 -2.248 1.00 44.33 C ATOM 0 H LEU A 110 0.901 -3.206 1.444 1.00 3.22 H new ATOM 0 HA LEU A 110 2.584 -2.814 -0.900 1.00 61.50 H new ATOM 0 HB2 LEU A 110 0.971 -4.939 0.343 1.00 64.05 H new ATOM 0 HB3 LEU A 110 0.709 -4.797 -1.384 1.00 64.05 H new ATOM 0 HG LEU A 110 3.422 -5.176 -0.111 1.00 45.10 H new ATOM 0 HD11 LEU A 110 3.188 -7.504 -0.906 1.00 62.12 H new ATOM 0 HD12 LEU A 110 1.926 -7.098 0.281 1.00 62.12 H new ATOM 0 HD13 LEU A 110 1.532 -7.146 -1.454 1.00 62.12 H new ATOM 0 HD21 LEU A 110 4.080 -5.774 -2.422 1.00 44.33 H new ATOM 0 HD22 LEU A 110 2.429 -5.417 -2.984 1.00 44.33 H new ATOM 0 HD23 LEU A 110 3.453 -4.111 -2.342 1.00 44.33 H new ATOM 918 N THR A 111 0.876 -1.899 -2.393 1.00 34.32 N ATOM 919 CA THR A 111 -0.076 -1.268 -3.253 1.00 15.04 C ATOM 920 C THR A 111 0.061 -1.842 -4.653 1.00 5.11 C ATOM 921 O THR A 111 1.133 -2.343 -5.036 1.00 71.03 O ATOM 922 CB THR A 111 0.072 0.271 -3.226 1.00 72.13 C ATOM 923 OG1 THR A 111 -0.747 0.911 -4.243 1.00 24.24 O ATOM 924 CG2 THR A 111 1.526 0.673 -3.362 1.00 24.51 C ATOM 0 H THR A 111 1.832 -1.892 -2.749 1.00 34.32 H new ATOM 0 HA THR A 111 -1.084 -1.476 -2.895 1.00 15.04 H new ATOM 0 HB THR A 111 -0.289 0.619 -2.258 1.00 72.13 H new ATOM 0 HG1 THR A 111 -1.641 0.510 -4.243 1.00 24.24 H new ATOM 0 HG21 THR A 111 1.607 1.760 -3.341 1.00 24.51 H new ATOM 0 HG22 THR A 111 2.099 0.250 -2.537 1.00 24.51 H new ATOM 0 HG23 THR A 111 1.920 0.299 -4.307 1.00 24.51 H new ATOM 932 N LYS A 112 -1.003 -1.784 -5.403 1.00 32.31 N ATOM 933 CA LYS A 112 -1.059 -2.445 -6.684 1.00 13.32 C ATOM 934 C LYS A 112 -0.885 -1.487 -7.862 1.00 61.04 C ATOM 935 O LYS A 112 -0.800 -1.925 -9.005 1.00 32.22 O ATOM 936 CB LYS A 112 -2.381 -3.227 -6.781 1.00 71.03 C ATOM 937 CG LYS A 112 -3.638 -2.359 -6.658 1.00 73.12 C ATOM 938 CD LYS A 112 -4.929 -3.162 -6.358 1.00 21.05 C ATOM 939 CE LYS A 112 -5.340 -4.178 -7.444 1.00 43.24 C ATOM 940 NZ LYS A 112 -4.473 -5.386 -7.506 1.00 3.54 N ATOM 0 H LYS A 112 -1.853 -1.281 -5.149 1.00 32.31 H new ATOM 0 HA LYS A 112 -0.216 -3.133 -6.749 1.00 13.32 H new ATOM 0 HB2 LYS A 112 -2.409 -3.753 -7.735 1.00 71.03 H new ATOM 0 HB3 LYS A 112 -2.399 -3.985 -5.998 1.00 71.03 H new ATOM 0 HG2 LYS A 112 -3.485 -1.626 -5.866 1.00 73.12 H new ATOM 0 HG3 LYS A 112 -3.775 -1.802 -7.585 1.00 73.12 H new ATOM 0 HD2 LYS A 112 -4.795 -3.695 -5.417 1.00 21.05 H new ATOM 0 HD3 LYS A 112 -5.749 -2.459 -6.212 1.00 21.05 H new ATOM 0 HE2 LYS A 112 -6.368 -4.491 -7.263 1.00 43.24 H new ATOM 0 HE3 LYS A 112 -5.324 -3.682 -8.415 1.00 43.24 H new ATOM 0 HZ1 LYS A 112 -5.057 -6.223 -7.705 1.00 3.54 H new ATOM 0 HZ2 LYS A 112 -3.768 -5.269 -8.261 1.00 3.54 H new ATOM 0 HZ3 LYS A 112 -3.987 -5.512 -6.595 1.00 3.54 H new ATOM 954 N ARG A 113 -0.788 -0.192 -7.594 1.00 55.01 N ATOM 955 CA ARG A 113 -0.723 0.774 -8.704 1.00 1.02 C ATOM 956 C ARG A 113 0.666 1.329 -8.968 1.00 14.20 C ATOM 957 O ARG A 113 0.838 2.108 -9.906 1.00 33.21 O ATOM 958 CB ARG A 113 -1.678 1.929 -8.498 1.00 63.44 C ATOM 959 CG ARG A 113 -1.375 2.792 -7.291 1.00 4.22 C ATOM 960 CD ARG A 113 -2.360 3.937 -7.201 1.00 60.23 C ATOM 961 NE ARG A 113 -3.727 3.439 -7.242 1.00 54.44 N ATOM 962 CZ ARG A 113 -4.357 2.924 -6.193 1.00 2.54 C ATOM 963 NH1 ARG A 113 -3.868 3.090 -4.982 1.00 52.33 N ATOM 964 NH2 ARG A 113 -5.489 2.270 -6.338 1.00 34.22 N ATOM 0 H ARG A 113 -0.753 0.212 -6.658 1.00 55.01 H new ATOM 0 HA ARG A 113 -1.016 0.195 -9.580 1.00 1.02 H new ATOM 0 HB2 ARG A 113 -1.665 2.557 -9.389 1.00 63.44 H new ATOM 0 HB3 ARG A 113 -2.689 1.534 -8.401 1.00 63.44 H new ATOM 0 HG2 ARG A 113 -1.424 2.190 -6.384 1.00 4.22 H new ATOM 0 HG3 ARG A 113 -0.360 3.182 -7.360 1.00 4.22 H new ATOM 0 HD2 ARG A 113 -2.197 4.493 -6.278 1.00 60.23 H new ATOM 0 HD3 ARG A 113 -2.195 4.632 -8.025 1.00 60.23 H new ATOM 0 HE ARG A 113 -4.230 3.489 -8.128 1.00 54.44 H new ATOM 0 HH11 ARG A 113 -3.004 3.615 -4.849 1.00 52.33 H new ATOM 0 HH12 ARG A 113 -4.353 2.694 -4.177 1.00 52.33 H new ATOM 0 HH21 ARG A 113 -5.895 2.153 -7.266 1.00 34.22 H new ATOM 0 HH22 ARG A 113 -5.961 1.880 -5.522 1.00 34.22 H new ATOM 978 N TYR A 114 1.639 0.988 -8.116 1.00 13.00 N ATOM 979 CA TYR A 114 3.055 1.446 -8.265 1.00 10.40 C ATOM 980 C TYR A 114 3.278 2.951 -7.968 1.00 73.12 C ATOM 981 O TYR A 114 4.212 3.301 -7.259 1.00 52.22 O ATOM 982 CB TYR A 114 3.660 1.052 -9.629 1.00 34.55 C ATOM 983 CG TYR A 114 3.974 -0.422 -9.774 1.00 54.12 C ATOM 984 CD1 TYR A 114 2.984 -1.397 -9.656 1.00 70.24 C ATOM 985 CD2 TYR A 114 5.267 -0.838 -10.037 1.00 53.15 C ATOM 986 CE1 TYR A 114 3.286 -2.735 -9.787 1.00 22.51 C ATOM 987 CE2 TYR A 114 5.572 -2.171 -10.173 1.00 61.44 C ATOM 988 CZ TYR A 114 4.582 -3.115 -10.047 1.00 24.14 C ATOM 989 OH TYR A 114 4.892 -4.439 -10.175 1.00 35.41 O ATOM 0 H TYR A 114 1.485 0.391 -7.303 1.00 13.00 H new ATOM 0 HA TYR A 114 3.595 0.908 -7.486 1.00 10.40 H new ATOM 0 HB2 TYR A 114 2.966 1.342 -10.418 1.00 34.55 H new ATOM 0 HB3 TYR A 114 4.576 1.623 -9.785 1.00 34.55 H new ATOM 0 HD1 TYR A 114 1.965 -1.099 -9.459 1.00 70.24 H new ATOM 0 HD2 TYR A 114 6.051 -0.102 -10.137 1.00 53.15 H new ATOM 0 HE1 TYR A 114 2.511 -3.480 -9.686 1.00 22.51 H new ATOM 0 HE2 TYR A 114 6.588 -2.476 -10.378 1.00 61.44 H new ATOM 0 HH TYR A 114 4.089 -4.979 -10.021 1.00 35.41 H new ATOM 999 N ASP A 115 2.409 3.823 -8.485 1.00 21.32 N ATOM 1000 CA ASP A 115 2.519 5.294 -8.254 1.00 4.53 C ATOM 1001 C ASP A 115 2.548 5.618 -6.801 1.00 3.22 C ATOM 1002 O ASP A 115 3.285 6.472 -6.388 1.00 14.34 O ATOM 1003 CB ASP A 115 1.361 6.088 -8.866 1.00 63.35 C ATOM 1004 CG ASP A 115 1.298 6.077 -10.358 1.00 33.43 C ATOM 1005 OD1 ASP A 115 2.085 6.783 -11.010 1.00 34.14 O ATOM 1006 OD2 ASP A 115 0.409 5.418 -10.907 1.00 70.54 O ATOM 0 H ASP A 115 1.617 3.552 -9.068 1.00 21.32 H new ATOM 0 HA ASP A 115 3.452 5.581 -8.739 1.00 4.53 H new ATOM 0 HB2 ASP A 115 0.424 5.691 -8.476 1.00 63.35 H new ATOM 0 HB3 ASP A 115 1.433 7.122 -8.529 1.00 63.35 H new ATOM 1011 N ALA A 116 1.816 4.858 -6.020 1.00 74.41 N ATOM 1012 CA ALA A 116 1.615 5.135 -4.613 1.00 34.22 C ATOM 1013 C ALA A 116 2.927 5.139 -3.817 1.00 21.53 C ATOM 1014 O ALA A 116 2.998 5.727 -2.758 1.00 42.34 O ATOM 1015 CB ALA A 116 0.631 4.139 -4.052 1.00 35.35 C ATOM 0 H ALA A 116 1.336 4.019 -6.346 1.00 74.41 H new ATOM 0 HA ALA A 116 1.210 6.142 -4.517 1.00 34.22 H new ATOM 0 HB1 ALA A 116 0.474 4.340 -2.992 1.00 35.35 H new ATOM 0 HB2 ALA A 116 -0.317 4.226 -4.583 1.00 35.35 H new ATOM 0 HB3 ALA A 116 1.024 3.130 -4.175 1.00 35.35 H new ATOM 1021 N LEU A 117 3.941 4.471 -4.334 1.00 21.40 N ATOM 1022 CA LEU A 117 5.264 4.447 -3.705 1.00 70.32 C ATOM 1023 C LEU A 117 6.063 5.664 -4.106 1.00 71.13 C ATOM 1024 O LEU A 117 6.883 6.167 -3.355 1.00 42.20 O ATOM 1025 CB LEU A 117 6.061 3.217 -4.096 1.00 73.22 C ATOM 1026 CG LEU A 117 5.447 1.859 -3.791 1.00 73.23 C ATOM 1027 CD1 LEU A 117 4.875 1.812 -2.389 1.00 1.10 C ATOM 1028 CD2 LEU A 117 4.420 1.484 -4.822 1.00 24.25 C ATOM 0 H LEU A 117 3.880 3.930 -5.197 1.00 21.40 H new ATOM 0 HA LEU A 117 5.093 4.434 -2.629 1.00 70.32 H new ATOM 0 HB2 LEU A 117 6.253 3.267 -5.168 1.00 73.22 H new ATOM 0 HB3 LEU A 117 7.028 3.269 -3.596 1.00 73.22 H new ATOM 0 HG LEU A 117 6.244 1.117 -3.838 1.00 73.23 H new ATOM 0 HD11 LEU A 117 4.444 0.828 -2.205 1.00 1.10 H new ATOM 0 HD12 LEU A 117 5.668 2.002 -1.666 1.00 1.10 H new ATOM 0 HD13 LEU A 117 4.100 2.572 -2.286 1.00 1.10 H new ATOM 0 HD21 LEU A 117 3.999 0.509 -4.578 1.00 24.25 H new ATOM 0 HD22 LEU A 117 3.626 2.230 -4.833 1.00 24.25 H new ATOM 0 HD23 LEU A 117 4.890 1.440 -5.805 1.00 24.25 H new ATOM 1040 N SER A 118 5.814 6.114 -5.286 1.00 41.11 N ATOM 1041 CA SER A 118 6.478 7.256 -5.852 1.00 22.22 C ATOM 1042 C SER A 118 5.968 8.512 -5.198 1.00 43.21 C ATOM 1043 O SER A 118 6.740 9.338 -4.718 1.00 32.30 O ATOM 1044 CB SER A 118 6.164 7.268 -7.322 1.00 53.43 C ATOM 1045 OG SER A 118 6.837 6.224 -8.006 1.00 35.13 O ATOM 0 H SER A 118 5.125 5.692 -5.909 1.00 41.11 H new ATOM 0 HA SER A 118 7.555 7.205 -5.692 1.00 22.22 H new ATOM 0 HB2 SER A 118 5.089 7.165 -7.466 1.00 53.43 H new ATOM 0 HB3 SER A 118 6.452 8.229 -7.749 1.00 53.43 H new ATOM 0 HG SER A 118 6.611 6.258 -8.959 1.00 35.13 H new ATOM 1051 N GLU A 119 4.662 8.619 -5.149 1.00 34.15 N ATOM 1052 CA GLU A 119 3.993 9.740 -4.534 1.00 61.24 C ATOM 1053 C GLU A 119 4.143 9.656 -3.031 1.00 13.13 C ATOM 1054 O GLU A 119 3.894 10.602 -2.326 1.00 30.14 O ATOM 1055 CB GLU A 119 2.521 9.776 -4.870 1.00 51.25 C ATOM 1056 CG GLU A 119 2.167 9.143 -6.178 1.00 62.20 C ATOM 1057 CD GLU A 119 0.722 9.332 -6.550 1.00 61.51 C ATOM 1058 OE1 GLU A 119 -0.150 8.747 -5.894 1.00 34.31 O ATOM 1059 OE2 GLU A 119 0.423 10.030 -7.528 1.00 61.14 O ATOM 0 H GLU A 119 4.027 7.923 -5.539 1.00 34.15 H new ATOM 0 HA GLU A 119 4.456 10.648 -4.921 1.00 61.24 H new ATOM 0 HB2 GLU A 119 1.968 9.274 -4.076 1.00 51.25 H new ATOM 0 HB3 GLU A 119 2.189 10.814 -4.882 1.00 51.25 H new ATOM 0 HG2 GLU A 119 2.796 9.565 -6.962 1.00 62.20 H new ATOM 0 HG3 GLU A 119 2.388 8.077 -6.131 1.00 62.20 H new ATOM 1066 N HIS A 120 4.452 8.482 -2.558 1.00 34.33 N ATOM 1067 CA HIS A 120 4.589 8.205 -1.136 1.00 15.24 C ATOM 1068 C HIS A 120 5.461 9.250 -0.431 1.00 2.11 C ATOM 1069 O HIS A 120 5.020 9.868 0.452 1.00 10.41 O ATOM 1070 CB HIS A 120 5.154 6.837 -0.934 1.00 52.12 C ATOM 1071 CG HIS A 120 4.821 6.232 0.353 1.00 3.41 C ATOM 1072 ND1 HIS A 120 3.548 5.879 0.728 1.00 5.51 N ATOM 1073 CD2 HIS A 120 5.598 5.935 1.360 1.00 41.01 C ATOM 1074 CE1 HIS A 120 3.596 5.385 1.951 1.00 30.24 C ATOM 1075 NE2 HIS A 120 4.843 5.388 2.398 1.00 0.35 N ATOM 0 H HIS A 120 4.621 7.669 -3.151 1.00 34.33 H new ATOM 0 HA HIS A 120 3.595 8.256 -0.691 1.00 15.24 H new ATOM 0 HB2 HIS A 120 4.794 6.187 -1.732 1.00 52.12 H new ATOM 0 HB3 HIS A 120 6.239 6.887 -1.029 1.00 52.12 H new ATOM 0 HD1 HIS A 120 2.708 5.981 0.158 1.00 5.51 H new ATOM 0 HD2 HIS A 120 6.667 6.090 1.385 1.00 41.01 H new ATOM 0 HE1 HIS A 120 2.741 5.029 2.507 1.00 30.24 H new ATOM 1083 N ASN A 121 6.670 9.451 -0.856 1.00 74.34 N ATOM 1084 CA ASN A 121 7.543 10.505 -0.256 1.00 45.34 C ATOM 1085 C ASN A 121 7.050 11.927 -0.564 1.00 50.33 C ATOM 1086 O ASN A 121 7.492 12.903 0.009 1.00 51.00 O ATOM 1087 CB ASN A 121 9.025 10.341 -0.580 1.00 71.22 C ATOM 1088 CG ASN A 121 9.369 10.283 -2.036 1.00 23.45 C ATOM 1089 OD1 ASN A 121 8.631 10.728 -2.902 1.00 11.12 O ATOM 1090 ND2 ASN A 121 10.551 9.833 -2.294 1.00 21.45 N ATOM 0 H ASN A 121 7.105 8.921 -1.611 1.00 74.34 H new ATOM 0 HA ASN A 121 7.456 10.356 0.820 1.00 45.34 H new ATOM 0 HB2 ASN A 121 9.570 11.170 -0.129 1.00 71.22 H new ATOM 0 HB3 ASN A 121 9.383 9.428 -0.104 1.00 71.22 H new ATOM 0 HD21 ASN A 121 10.902 9.840 -3.252 1.00 21.45 H new ATOM 0 HD22 ASN A 121 11.134 9.470 -1.540 1.00 21.45 H new ATOM 1097 N LEU A 122 6.205 12.025 -1.525 1.00 32.04 N ATOM 1098 CA LEU A 122 5.617 13.285 -1.914 1.00 34.11 C ATOM 1099 C LEU A 122 4.539 13.698 -0.888 1.00 4.33 C ATOM 1100 O LEU A 122 4.540 14.818 -0.361 1.00 5.01 O ATOM 1101 CB LEU A 122 5.038 13.130 -3.353 1.00 23.00 C ATOM 1102 CG LEU A 122 3.897 14.043 -3.791 1.00 54.33 C ATOM 1103 CD1 LEU A 122 4.300 15.509 -3.749 1.00 50.44 C ATOM 1104 CD2 LEU A 122 3.451 13.675 -5.196 1.00 15.43 C ATOM 0 H LEU A 122 5.888 11.230 -2.080 1.00 32.04 H new ATOM 0 HA LEU A 122 6.363 14.079 -1.926 1.00 34.11 H new ATOM 0 HB2 LEU A 122 5.860 13.269 -4.056 1.00 23.00 H new ATOM 0 HB3 LEU A 122 4.697 12.101 -3.462 1.00 23.00 H new ATOM 0 HG LEU A 122 3.073 13.902 -3.092 1.00 54.33 H new ATOM 0 HD11 LEU A 122 3.460 16.126 -4.068 1.00 50.44 H new ATOM 0 HD12 LEU A 122 4.584 15.779 -2.732 1.00 50.44 H new ATOM 0 HD13 LEU A 122 5.145 15.673 -4.417 1.00 50.44 H new ATOM 0 HD21 LEU A 122 2.636 14.331 -5.503 1.00 15.43 H new ATOM 0 HD22 LEU A 122 4.288 13.790 -5.885 1.00 15.43 H new ATOM 0 HD23 LEU A 122 3.109 12.640 -5.210 1.00 15.43 H new ATOM 1116 N LYS A 123 3.637 12.795 -0.615 1.00 13.51 N ATOM 1117 CA LYS A 123 2.520 13.068 0.269 1.00 13.22 C ATOM 1118 C LYS A 123 2.632 12.397 1.631 1.00 55.42 C ATOM 1119 O LYS A 123 2.397 13.012 2.656 1.00 73.12 O ATOM 1120 CB LYS A 123 1.171 12.796 -0.442 1.00 31.02 C ATOM 1121 CG LYS A 123 1.254 11.828 -1.622 1.00 70.12 C ATOM 1122 CD LYS A 123 0.000 11.846 -2.497 1.00 21.34 C ATOM 1123 CE LYS A 123 -1.262 11.516 -1.723 1.00 74.43 C ATOM 1124 NZ LYS A 123 -2.461 11.511 -2.590 1.00 10.31 N ATOM 0 H LYS A 123 3.649 11.848 -0.995 1.00 13.51 H new ATOM 0 HA LYS A 123 2.556 14.133 0.499 1.00 13.22 H new ATOM 0 HB2 LYS A 123 0.465 12.398 0.287 1.00 31.02 H new ATOM 0 HB3 LYS A 123 0.765 13.744 -0.795 1.00 31.02 H new ATOM 0 HG2 LYS A 123 2.121 12.081 -2.233 1.00 70.12 H new ATOM 0 HG3 LYS A 123 1.414 10.818 -1.246 1.00 70.12 H new ATOM 0 HD2 LYS A 123 -0.106 12.831 -2.952 1.00 21.34 H new ATOM 0 HD3 LYS A 123 0.120 11.130 -3.310 1.00 21.34 H new ATOM 0 HE2 LYS A 123 -1.152 10.540 -1.251 1.00 74.43 H new ATOM 0 HE3 LYS A 123 -1.397 12.244 -0.923 1.00 74.43 H new ATOM 0 HZ1 LYS A 123 -3.174 12.160 -2.200 1.00 10.31 H new ATOM 0 HZ2 LYS A 123 -2.198 11.821 -3.547 1.00 10.31 H new ATOM 0 HZ3 LYS A 123 -2.854 10.549 -2.633 1.00 10.31 H new ATOM 1138 N TYR A 124 3.034 11.168 1.621 1.00 11.10 N ATOM 1139 CA TYR A 124 3.103 10.336 2.826 1.00 33.43 C ATOM 1140 C TYR A 124 4.373 10.585 3.627 1.00 33.21 C ATOM 1141 O TYR A 124 4.306 10.840 4.831 1.00 60.21 O ATOM 1142 CB TYR A 124 3.024 8.868 2.449 1.00 62.31 C ATOM 1143 CG TYR A 124 1.717 8.436 1.850 1.00 42.14 C ATOM 1144 CD1 TYR A 124 1.263 8.962 0.650 1.00 3.34 C ATOM 1145 CD2 TYR A 124 0.943 7.484 2.477 1.00 53.20 C ATOM 1146 CE1 TYR A 124 0.080 8.563 0.113 1.00 75.24 C ATOM 1147 CE2 TYR A 124 -0.238 7.078 1.937 1.00 12.15 C ATOM 1148 CZ TYR A 124 -0.671 7.618 0.761 1.00 1.20 C ATOM 1149 OH TYR A 124 -1.876 7.228 0.249 1.00 14.21 O ATOM 0 H TYR A 124 3.333 10.686 0.773 1.00 11.10 H new ATOM 0 HA TYR A 124 2.255 10.608 3.454 1.00 33.43 H new ATOM 0 HB2 TYR A 124 3.822 8.647 1.740 1.00 62.31 H new ATOM 0 HB3 TYR A 124 3.214 8.269 3.340 1.00 62.31 H new ATOM 0 HD1 TYR A 124 1.859 9.700 0.134 1.00 3.34 H new ATOM 0 HD2 TYR A 124 1.278 7.054 3.409 1.00 53.20 H new ATOM 0 HE1 TYR A 124 -0.266 8.988 -0.818 1.00 75.24 H new ATOM 0 HE2 TYR A 124 -0.832 6.329 2.439 1.00 12.15 H new ATOM 0 HH TYR A 124 -2.268 6.539 0.824 1.00 14.21 H new ATOM 1159 N HIS A 125 5.530 10.485 2.978 1.00 54.42 N ATOM 1160 CA HIS A 125 6.826 10.765 3.654 1.00 2.13 C ATOM 1161 C HIS A 125 7.478 12.006 3.040 1.00 60.43 C ATOM 1162 O HIS A 125 8.459 11.882 2.346 1.00 21.22 O ATOM 1163 CB HIS A 125 7.838 9.599 3.517 1.00 53.35 C ATOM 1164 CG HIS A 125 7.505 8.286 4.163 1.00 54.43 C ATOM 1165 ND1 HIS A 125 8.214 7.737 5.212 1.00 72.25 N ATOM 1166 CD2 HIS A 125 6.650 7.356 3.778 1.00 72.22 C ATOM 1167 CE1 HIS A 125 7.778 6.499 5.415 1.00 54.13 C ATOM 1168 NE2 HIS A 125 6.801 6.189 4.543 1.00 51.45 N ATOM 0 H HIS A 125 5.614 10.217 1.997 1.00 54.42 H new ATOM 0 HA HIS A 125 6.593 10.910 4.709 1.00 2.13 H new ATOM 0 HB2 HIS A 125 7.992 9.416 2.454 1.00 53.35 H new ATOM 0 HB3 HIS A 125 8.791 9.937 3.924 1.00 53.35 H new ATOM 0 HD1 HIS A 125 8.950 8.204 5.743 1.00 72.25 H new ATOM 0 HD2 HIS A 125 5.931 7.477 2.981 1.00 72.22 H new ATOM 0 HE1 HIS A 125 8.156 5.832 6.176 1.00 54.13 H new ATOM 0 HE2 HIS A 125 6.289 5.311 4.458 1.00 51.45 H new ATOM 1176 N PRO A 126 6.936 13.192 3.260 1.00 34.20 N ATOM 1177 CA PRO A 126 7.441 14.412 2.631 1.00 12.53 C ATOM 1178 C PRO A 126 8.759 14.910 3.216 1.00 73.32 C ATOM 1179 O PRO A 126 9.013 14.792 4.432 1.00 45.43 O ATOM 1180 CB PRO A 126 6.332 15.404 2.899 1.00 3.12 C ATOM 1181 CG PRO A 126 5.753 14.942 4.184 1.00 23.33 C ATOM 1182 CD PRO A 126 5.797 13.462 4.119 1.00 14.30 C ATOM 0 HA PRO A 126 7.670 14.254 1.577 1.00 12.53 H new ATOM 0 HB2 PRO A 126 6.714 16.422 2.975 1.00 3.12 H new ATOM 0 HB3 PRO A 126 5.590 15.401 2.101 1.00 3.12 H new ATOM 0 HG2 PRO A 126 6.327 15.316 5.032 1.00 23.33 H new ATOM 0 HG3 PRO A 126 4.731 15.301 4.307 1.00 23.33 H new ATOM 0 HD2 PRO A 126 5.927 13.021 5.107 1.00 14.30 H new ATOM 0 HD3 PRO A 126 4.876 13.051 3.705 1.00 14.30 H new ATOM 1190 N GLY A 127 9.585 15.459 2.359 1.00 51.03 N ATOM 1191 CA GLY A 127 10.845 15.996 2.773 1.00 41.42 C ATOM 1192 C GLY A 127 11.870 15.986 1.657 1.00 64.42 C ATOM 1193 O GLY A 127 12.635 16.945 1.505 1.00 34.45 O ATOM 0 H GLY A 127 9.398 15.543 1.360 1.00 51.03 H new ATOM 0 HA2 GLY A 127 10.704 17.018 3.124 1.00 41.42 H new ATOM 0 HA3 GLY A 127 11.224 15.419 3.616 1.00 41.42 H new ATOM 1197 N GLU A 128 11.874 14.925 0.880 1.00 52.03 N ATOM 1198 CA GLU A 128 12.809 14.726 -0.221 1.00 21.24 C ATOM 1199 C GLU A 128 12.244 13.650 -1.107 1.00 33.42 C ATOM 1200 O GLU A 128 11.200 13.081 -0.770 1.00 24.20 O ATOM 1201 CB GLU A 128 14.226 14.363 0.321 1.00 41.22 C ATOM 1202 CG GLU A 128 14.311 13.096 1.171 1.00 61.32 C ATOM 1203 CD GLU A 128 14.778 11.880 0.412 1.00 54.31 C ATOM 1204 OE1 GLU A 128 15.995 11.646 0.352 1.00 42.32 O ATOM 1205 OE2 GLU A 128 13.956 11.157 -0.140 1.00 62.31 O ATOM 0 H GLU A 128 11.214 14.155 0.994 1.00 52.03 H new ATOM 0 HA GLU A 128 12.931 15.641 -0.800 1.00 21.24 H new ATOM 0 HB2 GLU A 128 14.901 14.254 -0.528 1.00 41.22 H new ATOM 0 HB3 GLU A 128 14.592 15.201 0.914 1.00 41.22 H new ATOM 0 HG2 GLU A 128 14.990 13.275 2.005 1.00 61.32 H new ATOM 0 HG3 GLU A 128 13.329 12.891 1.598 1.00 61.32 H new ATOM 1212 N GLU A 129 12.866 13.378 -2.220 1.00 60.43 N ATOM 1213 CA GLU A 129 12.358 12.343 -3.064 1.00 64.25 C ATOM 1214 C GLU A 129 13.480 11.441 -3.528 1.00 50.23 C ATOM 1215 O GLU A 129 14.119 11.692 -4.570 1.00 33.12 O ATOM 1216 CB GLU A 129 11.671 12.961 -4.260 1.00 33.34 C ATOM 1217 CG GLU A 129 10.955 11.964 -5.132 1.00 1.45 C ATOM 1218 CD GLU A 129 10.352 12.587 -6.351 1.00 54.41 C ATOM 1219 OE1 GLU A 129 9.284 13.224 -6.251 1.00 20.34 O ATOM 1220 OE2 GLU A 129 10.935 12.434 -7.446 1.00 61.01 O ATOM 0 H GLU A 129 13.707 13.848 -2.555 1.00 60.43 H new ATOM 0 HA GLU A 129 11.643 11.745 -2.499 1.00 64.25 H new ATOM 0 HB2 GLU A 129 10.955 13.705 -3.911 1.00 33.34 H new ATOM 0 HB3 GLU A 129 12.412 13.489 -4.860 1.00 33.34 H new ATOM 0 HG2 GLU A 129 11.655 11.186 -5.436 1.00 1.45 H new ATOM 0 HG3 GLU A 129 10.170 11.478 -4.552 1.00 1.45 H new ATOM 1227 N ASN A 130 13.724 10.390 -2.772 1.00 20.20 N ATOM 1228 CA ASN A 130 14.785 9.431 -3.054 1.00 20.33 C ATOM 1229 C ASN A 130 14.414 8.078 -2.481 1.00 14.40 C ATOM 1230 O ASN A 130 14.614 7.806 -1.298 1.00 54.22 O ATOM 1231 CB ASN A 130 16.111 9.902 -2.412 1.00 54.23 C ATOM 1232 CG ASN A 130 16.602 11.225 -2.964 1.00 3.12 C ATOM 1233 OD1 ASN A 130 16.145 12.300 -2.363 1.00 75.35 O flip ATOM 1234 ND2 ASN A 130 17.380 11.276 -3.926 1.00 32.25 N flip ATOM 0 H ASN A 130 13.187 10.171 -1.933 1.00 20.20 H new ATOM 0 HA ASN A 130 14.911 9.355 -4.134 1.00 20.33 H new ATOM 0 HB2 ASN A 130 15.974 9.993 -1.335 1.00 54.23 H new ATOM 0 HB3 ASN A 130 16.876 9.142 -2.573 1.00 54.23 H new ATOM 0 HD21 ASN A 130 17.709 10.415 -4.362 1.00 32.25 H new ATOM 0 HD22 ASN A 130 17.692 12.179 -4.283 1.00 32.25 H new ATOM 1241 N PHE A 131 13.837 7.264 -3.295 1.00 71.55 N ATOM 1242 CA PHE A 131 13.436 5.936 -2.904 1.00 54.44 C ATOM 1243 C PHE A 131 14.335 4.906 -3.546 1.00 12.24 C ATOM 1244 O PHE A 131 14.788 5.088 -4.680 1.00 15.21 O ATOM 1245 CB PHE A 131 12.007 5.670 -3.326 1.00 72.51 C ATOM 1246 CG PHE A 131 10.978 5.715 -2.233 1.00 21.35 C ATOM 1247 CD1 PHE A 131 10.889 4.688 -1.323 1.00 75.52 C ATOM 1248 CD2 PHE A 131 10.056 6.734 -2.168 1.00 32.25 C ATOM 1249 CE1 PHE A 131 9.899 4.672 -0.371 1.00 2.00 C ATOM 1250 CE2 PHE A 131 9.071 6.737 -1.198 1.00 53.15 C ATOM 1251 CZ PHE A 131 8.994 5.699 -0.306 1.00 32.44 C ATOM 0 H PHE A 131 13.623 7.494 -4.265 1.00 71.55 H new ATOM 0 HA PHE A 131 13.515 5.865 -1.819 1.00 54.44 H new ATOM 0 HB2 PHE A 131 11.732 6.400 -4.087 1.00 72.51 H new ATOM 0 HB3 PHE A 131 11.965 4.688 -3.797 1.00 72.51 H new ATOM 0 HD1 PHE A 131 11.608 3.883 -1.357 1.00 75.52 H new ATOM 0 HD2 PHE A 131 10.102 7.542 -2.884 1.00 32.25 H new ATOM 0 HE1 PHE A 131 9.834 3.850 0.326 1.00 2.00 H new ATOM 0 HE2 PHE A 131 8.366 7.553 -1.143 1.00 53.15 H new ATOM 0 HZ PHE A 131 8.220 5.691 0.448 1.00 32.44 H new ATOM 1261 N LYS A 132 14.574 3.839 -2.839 1.00 2.42 N ATOM 1262 CA LYS A 132 15.390 2.761 -3.312 1.00 50.43 C ATOM 1263 C LYS A 132 14.478 1.543 -3.432 1.00 2.02 C ATOM 1264 O LYS A 132 13.428 1.524 -2.826 1.00 75.33 O ATOM 1265 CB LYS A 132 16.494 2.457 -2.283 1.00 71.42 C ATOM 1266 CG LYS A 132 16.135 1.340 -1.310 1.00 64.13 C ATOM 1267 CD LYS A 132 17.278 0.967 -0.422 1.00 12.14 C ATOM 1268 CE LYS A 132 17.051 -0.418 0.156 1.00 1.32 C ATOM 1269 NZ LYS A 132 18.185 -0.881 0.985 1.00 63.43 N ATOM 0 H LYS A 132 14.200 3.692 -1.901 1.00 2.42 H new ATOM 0 HA LYS A 132 15.856 3.012 -4.265 1.00 50.43 H new ATOM 0 HB2 LYS A 132 17.407 2.186 -2.813 1.00 71.42 H new ATOM 0 HB3 LYS A 132 16.711 3.363 -1.718 1.00 71.42 H new ATOM 0 HG2 LYS A 132 15.290 1.654 -0.697 1.00 64.13 H new ATOM 0 HG3 LYS A 132 15.813 0.463 -1.871 1.00 64.13 H new ATOM 0 HD2 LYS A 132 18.210 0.987 -0.987 1.00 12.14 H new ATOM 0 HD3 LYS A 132 17.377 1.695 0.383 1.00 12.14 H new ATOM 0 HE2 LYS A 132 16.143 -0.412 0.760 1.00 1.32 H new ATOM 0 HE3 LYS A 132 16.888 -1.125 -0.657 1.00 1.32 H new ATOM 0 HZ1 LYS A 132 17.979 -1.831 1.355 1.00 63.43 H new ATOM 0 HZ2 LYS A 132 19.048 -0.915 0.405 1.00 63.43 H new ATOM 0 HZ3 LYS A 132 18.326 -0.223 1.778 1.00 63.43 H new ATOM 1283 N LEU A 133 14.891 0.525 -4.123 1.00 30.34 N ATOM 1284 CA LEU A 133 14.071 -0.651 -4.246 1.00 30.13 C ATOM 1285 C LEU A 133 14.866 -1.888 -3.888 1.00 44.32 C ATOM 1286 O LEU A 133 16.022 -2.039 -4.280 1.00 71.14 O ATOM 1287 CB LEU A 133 13.417 -0.797 -5.638 1.00 43.05 C ATOM 1288 CG LEU A 133 14.355 -0.878 -6.844 1.00 64.42 C ATOM 1289 CD1 LEU A 133 13.620 -1.477 -8.026 1.00 73.41 C ATOM 1290 CD2 LEU A 133 14.864 0.504 -7.235 1.00 52.32 C ATOM 0 H LEU A 133 15.786 0.480 -4.610 1.00 30.34 H new ATOM 0 HA LEU A 133 13.250 -0.535 -3.538 1.00 30.13 H new ATOM 0 HB2 LEU A 133 12.799 -1.695 -5.629 1.00 43.05 H new ATOM 0 HB3 LEU A 133 12.747 0.049 -5.787 1.00 43.05 H new ATOM 0 HG LEU A 133 15.203 -1.505 -6.568 1.00 64.42 H new ATOM 0 HD11 LEU A 133 14.292 -1.533 -8.882 1.00 73.41 H new ATOM 0 HD12 LEU A 133 13.275 -2.479 -7.770 1.00 73.41 H new ATOM 0 HD13 LEU A 133 12.764 -0.851 -8.277 1.00 73.41 H new ATOM 0 HD21 LEU A 133 15.528 0.417 -8.095 1.00 52.32 H new ATOM 0 HD22 LEU A 133 14.020 1.143 -7.492 1.00 52.32 H new ATOM 0 HD23 LEU A 133 15.409 0.941 -6.398 1.00 52.32 H new ATOM 1302 N THR A 134 14.268 -2.731 -3.126 1.00 50.21 N ATOM 1303 CA THR A 134 14.855 -3.946 -2.688 1.00 74.33 C ATOM 1304 C THR A 134 13.770 -5.009 -2.715 1.00 50.44 C ATOM 1305 O THR A 134 12.717 -4.821 -2.147 1.00 52.21 O ATOM 1306 CB THR A 134 15.451 -3.767 -1.249 1.00 21.34 C ATOM 1307 OG1 THR A 134 15.980 -4.999 -0.731 1.00 62.04 O ATOM 1308 CG2 THR A 134 14.439 -3.161 -0.266 1.00 34.05 C ATOM 0 H THR A 134 13.320 -2.588 -2.777 1.00 50.21 H new ATOM 0 HA THR A 134 15.677 -4.244 -3.338 1.00 74.33 H new ATOM 0 HB THR A 134 16.274 -3.060 -1.350 1.00 21.34 H new ATOM 0 HG1 THR A 134 16.344 -4.847 0.166 1.00 62.04 H new ATOM 0 HG21 THR A 134 14.902 -3.058 0.715 1.00 34.05 H new ATOM 0 HG22 THR A 134 14.126 -2.180 -0.624 1.00 34.05 H new ATOM 0 HG23 THR A 134 13.569 -3.814 -0.190 1.00 34.05 H new ATOM 1316 N MET A 135 13.964 -6.097 -3.399 1.00 13.44 N ATOM 1317 CA MET A 135 12.876 -7.027 -3.428 1.00 32.30 C ATOM 1318 C MET A 135 13.132 -8.103 -2.439 1.00 5.40 C ATOM 1319 O MET A 135 13.978 -8.971 -2.654 1.00 14.42 O ATOM 1320 CB MET A 135 12.779 -7.625 -4.821 1.00 11.15 C ATOM 1321 CG MET A 135 11.656 -8.625 -5.036 1.00 2.21 C ATOM 1322 SD MET A 135 11.660 -9.242 -6.728 1.00 14.12 S ATOM 1323 CE MET A 135 10.313 -10.402 -6.692 1.00 1.12 C ATOM 0 H MET A 135 14.807 -6.353 -3.913 1.00 13.44 H new ATOM 0 HA MET A 135 11.942 -6.522 -3.180 1.00 32.30 H new ATOM 0 HB2 MET A 135 12.658 -6.812 -5.537 1.00 11.15 H new ATOM 0 HB3 MET A 135 13.725 -8.115 -5.052 1.00 11.15 H new ATOM 0 HG2 MET A 135 11.767 -9.457 -4.341 1.00 2.21 H new ATOM 0 HG3 MET A 135 10.697 -8.154 -4.819 1.00 2.21 H new ATOM 0 HE1 MET A 135 9.809 -10.405 -7.659 1.00 1.12 H new ATOM 0 HE2 MET A 135 10.698 -11.400 -6.480 1.00 1.12 H new ATOM 0 HE3 MET A 135 9.605 -10.114 -5.915 1.00 1.12 H new ATOM 1333 N VAL A 136 12.412 -8.034 -1.354 1.00 10.02 N ATOM 1334 CA VAL A 136 12.422 -9.044 -0.338 1.00 53.14 C ATOM 1335 C VAL A 136 11.072 -9.106 0.330 1.00 23.22 C ATOM 1336 O VAL A 136 10.747 -8.237 1.083 1.00 31.22 O ATOM 1337 CB VAL A 136 13.542 -8.786 0.731 1.00 60.01 C ATOM 1338 CG1 VAL A 136 14.854 -9.387 0.273 1.00 1.53 C ATOM 1339 CG2 VAL A 136 13.737 -7.274 0.966 1.00 53.42 C ATOM 0 H VAL A 136 11.788 -7.254 -1.149 1.00 10.02 H new ATOM 0 HA VAL A 136 12.640 -9.999 -0.816 1.00 53.14 H new ATOM 0 HB VAL A 136 13.229 -9.256 1.663 1.00 60.01 H new ATOM 0 HG11 VAL A 136 15.622 -9.200 1.024 1.00 1.53 H new ATOM 0 HG12 VAL A 136 14.734 -10.462 0.136 1.00 1.53 H new ATOM 0 HG13 VAL A 136 15.152 -8.932 -0.672 1.00 1.53 H new ATOM 0 HG21 VAL A 136 14.518 -7.119 1.711 1.00 53.42 H new ATOM 0 HG22 VAL A 136 14.027 -6.795 0.031 1.00 53.42 H new ATOM 0 HG23 VAL A 136 12.804 -6.838 1.323 1.00 53.42 H new ATOM 1349 N LYS A 137 10.298 -10.094 0.099 1.00 2.12 N ATOM 1350 CA LYS A 137 9.070 -10.185 0.841 1.00 65.42 C ATOM 1351 C LYS A 137 8.879 -11.614 1.211 1.00 73.44 C ATOM 1352 O LYS A 137 8.777 -12.469 0.334 1.00 51.10 O ATOM 1353 CB LYS A 137 7.904 -9.615 0.055 1.00 65.22 C ATOM 1354 CG LYS A 137 6.715 -9.147 0.886 1.00 71.44 C ATOM 1355 CD LYS A 137 7.145 -7.986 1.780 1.00 54.31 C ATOM 1356 CE LYS A 137 6.004 -7.072 2.226 1.00 42.24 C ATOM 1357 NZ LYS A 137 6.463 -6.191 3.309 1.00 70.01 N ATOM 0 H LYS A 137 10.470 -10.840 -0.575 1.00 2.12 H new ATOM 0 HA LYS A 137 9.119 -9.583 1.748 1.00 65.42 H new ATOM 0 HB2 LYS A 137 8.265 -8.773 -0.536 1.00 65.22 H new ATOM 0 HB3 LYS A 137 7.557 -10.373 -0.647 1.00 65.22 H new ATOM 0 HG2 LYS A 137 5.901 -8.834 0.232 1.00 71.44 H new ATOM 0 HG3 LYS A 137 6.337 -9.968 1.495 1.00 71.44 H new ATOM 0 HD2 LYS A 137 7.638 -8.389 2.665 1.00 54.31 H new ATOM 0 HD3 LYS A 137 7.885 -7.389 1.247 1.00 54.31 H new ATOM 0 HE2 LYS A 137 5.654 -6.475 1.384 1.00 42.24 H new ATOM 0 HE3 LYS A 137 5.159 -7.670 2.566 1.00 42.24 H new ATOM 0 HZ1 LYS A 137 5.641 -5.812 3.821 1.00 70.01 H new ATOM 0 HZ2 LYS A 137 7.061 -6.731 3.966 1.00 70.01 H new ATOM 0 HZ3 LYS A 137 7.013 -5.405 2.908 1.00 70.01 H new ATOM 1371 N ARG A 138 8.866 -11.890 2.463 1.00 65.33 N ATOM 1372 CA ARG A 138 8.824 -13.247 2.917 1.00 43.43 C ATOM 1373 C ARG A 138 7.549 -13.485 3.671 1.00 20.40 C ATOM 1374 O ARG A 138 7.034 -12.562 4.315 1.00 71.34 O ATOM 1375 CB ARG A 138 10.057 -13.589 3.790 1.00 70.30 C ATOM 1376 CG ARG A 138 11.421 -13.379 3.100 1.00 75.15 C ATOM 1377 CD ARG A 138 11.831 -11.900 3.037 1.00 41.23 C ATOM 1378 NE ARG A 138 12.084 -11.329 4.369 1.00 64.42 N ATOM 1379 CZ ARG A 138 12.244 -10.016 4.654 1.00 73.24 C ATOM 1380 NH1 ARG A 138 11.971 -9.080 3.740 1.00 40.10 N ATOM 1381 NH2 ARG A 138 12.608 -9.652 5.879 1.00 13.34 N ATOM 0 H ARG A 138 8.884 -11.191 3.206 1.00 65.33 H new ATOM 0 HA ARG A 138 8.852 -13.906 2.049 1.00 43.43 H new ATOM 0 HB2 ARG A 138 10.025 -12.979 4.693 1.00 70.30 H new ATOM 0 HB3 ARG A 138 9.983 -14.630 4.106 1.00 70.30 H new ATOM 0 HG2 ARG A 138 12.185 -13.941 3.636 1.00 75.15 H new ATOM 0 HG3 ARG A 138 11.378 -13.784 2.089 1.00 75.15 H new ATOM 0 HD2 ARG A 138 12.728 -11.801 2.426 1.00 41.23 H new ATOM 0 HD3 ARG A 138 11.045 -11.329 2.544 1.00 41.23 H new ATOM 0 HE ARG A 138 12.144 -11.983 5.149 1.00 64.42 H new ATOM 0 HH11 ARG A 138 11.638 -9.352 2.815 1.00 40.10 H new ATOM 0 HH12 ARG A 138 12.096 -8.094 3.967 1.00 40.10 H new ATOM 0 HH21 ARG A 138 12.765 -10.360 6.596 1.00 13.34 H new ATOM 0 HH22 ARG A 138 12.731 -8.664 6.102 1.00 13.34 H new ATOM 1395 N ASN A 139 7.020 -14.696 3.542 1.00 44.43 N ATOM 1396 CA ASN A 139 5.776 -15.152 4.209 1.00 21.41 C ATOM 1397 C ASN A 139 4.555 -14.484 3.607 1.00 13.35 C ATOM 1398 O ASN A 139 3.484 -14.434 4.225 1.00 32.25 O ATOM 1399 CB ASN A 139 5.791 -14.925 5.742 1.00 0.43 C ATOM 1400 CG ASN A 139 6.809 -15.756 6.505 1.00 71.21 C ATOM 1401 OD1 ASN A 139 7.882 -16.094 6.005 1.00 3.34 O ATOM 1402 ND2 ASN A 139 6.473 -16.100 7.718 1.00 54.01 N ATOM 0 H ASN A 139 7.445 -15.417 2.959 1.00 44.43 H new ATOM 0 HA ASN A 139 5.724 -16.227 4.038 1.00 21.41 H new ATOM 0 HB2 ASN A 139 5.987 -13.870 5.936 1.00 0.43 H new ATOM 0 HB3 ASN A 139 4.798 -15.143 6.136 1.00 0.43 H new ATOM 0 HD21 ASN A 139 7.107 -16.666 8.282 1.00 54.01 H new ATOM 0 HD22 ASN A 139 5.576 -15.803 8.102 1.00 54.01 H new ATOM 1409 N ASN A 140 4.695 -13.997 2.394 1.00 71.25 N ATOM 1410 CA ASN A 140 3.616 -13.299 1.721 1.00 10.13 C ATOM 1411 C ASN A 140 3.612 -13.649 0.247 1.00 22.24 C ATOM 1412 O ASN A 140 2.894 -14.546 -0.195 1.00 62.12 O ATOM 1413 CB ASN A 140 3.727 -11.766 1.886 1.00 15.24 C ATOM 1414 CG ASN A 140 3.572 -11.264 3.301 1.00 25.14 C ATOM 1415 OD1 ASN A 140 2.465 -11.031 3.764 1.00 41.44 O ATOM 1416 ND2 ASN A 140 4.668 -11.050 3.975 1.00 21.15 N ATOM 0 H ASN A 140 5.553 -14.071 1.847 1.00 71.25 H new ATOM 0 HA ASN A 140 2.682 -13.620 2.183 1.00 10.13 H new ATOM 0 HB2 ASN A 140 4.697 -11.444 1.506 1.00 15.24 H new ATOM 0 HB3 ASN A 140 2.968 -11.293 1.263 1.00 15.24 H new ATOM 0 HD21 ASN A 140 4.619 -10.676 4.923 1.00 21.15 H new ATOM 0 HD22 ASN A 140 5.574 -11.257 3.555 1.00 21.15 H new ATOM 1423 N GLN A 141 4.432 -12.954 -0.481 1.00 71.15 N ATOM 1424 CA GLN A 141 4.692 -13.152 -1.869 1.00 51.35 C ATOM 1425 C GLN A 141 5.932 -12.376 -2.123 1.00 62.23 C ATOM 1426 O GLN A 141 6.255 -11.536 -1.312 1.00 45.14 O ATOM 1427 CB GLN A 141 3.576 -12.629 -2.802 1.00 50.21 C ATOM 1428 CG GLN A 141 3.329 -11.122 -2.839 1.00 25.02 C ATOM 1429 CD GLN A 141 2.352 -10.609 -1.797 1.00 13.44 C ATOM 1430 OE1 GLN A 141 2.854 -10.174 -0.671 1.00 41.21 O flip ATOM 1431 NE2 GLN A 141 1.145 -10.550 -2.047 1.00 54.43 N flip ATOM 0 H GLN A 141 4.972 -12.182 -0.091 1.00 71.15 H new ATOM 0 HA GLN A 141 4.766 -14.219 -2.081 1.00 51.35 H new ATOM 0 HB2 GLN A 141 3.806 -12.956 -3.816 1.00 50.21 H new ATOM 0 HB3 GLN A 141 2.644 -13.115 -2.514 1.00 50.21 H new ATOM 0 HG2 GLN A 141 4.282 -10.609 -2.707 1.00 25.02 H new ATOM 0 HG3 GLN A 141 2.957 -10.854 -3.828 1.00 25.02 H new ATOM 0 HE21 GLN A 141 0.791 -10.900 -2.937 1.00 54.43 H new ATOM 0 HE22 GLN A 141 0.501 -10.151 -1.363 1.00 54.43 H new ATOM 1440 N THR A 142 6.598 -12.604 -3.200 1.00 64.00 N ATOM 1441 CA THR A 142 7.802 -11.873 -3.467 1.00 15.22 C ATOM 1442 C THR A 142 7.510 -10.662 -4.341 1.00 25.51 C ATOM 1443 O THR A 142 7.172 -10.778 -5.513 1.00 14.24 O ATOM 1444 CB THR A 142 8.884 -12.776 -4.058 1.00 32.31 C ATOM 1445 OG1 THR A 142 8.285 -13.683 -5.012 1.00 74.40 O ATOM 1446 CG2 THR A 142 9.602 -13.554 -2.947 1.00 35.24 C ATOM 0 H THR A 142 6.337 -13.286 -3.912 1.00 64.00 H new ATOM 0 HA THR A 142 8.197 -11.501 -2.522 1.00 15.22 H new ATOM 0 HB THR A 142 9.625 -12.161 -4.569 1.00 32.31 H new ATOM 0 HG1 THR A 142 8.978 -14.262 -5.393 1.00 74.40 H new ATOM 0 HG21 THR A 142 10.369 -14.192 -3.387 1.00 35.24 H new ATOM 0 HG22 THR A 142 10.067 -12.853 -2.254 1.00 35.24 H new ATOM 0 HG23 THR A 142 8.881 -14.171 -2.410 1.00 35.24 H new ATOM 1454 N ILE A 143 7.639 -9.529 -3.719 1.00 62.10 N ATOM 1455 CA ILE A 143 7.297 -8.227 -4.222 1.00 51.44 C ATOM 1456 C ILE A 143 8.400 -7.238 -3.881 1.00 61.03 C ATOM 1457 O ILE A 143 9.194 -7.503 -2.966 1.00 62.23 O ATOM 1458 CB ILE A 143 5.887 -7.753 -3.779 1.00 30.35 C ATOM 1459 CG1 ILE A 143 5.676 -7.918 -2.308 1.00 65.53 C ATOM 1460 CG2 ILE A 143 4.794 -8.459 -4.542 1.00 21.00 C ATOM 1461 CD1 ILE A 143 6.356 -6.859 -1.499 1.00 55.40 C ATOM 0 H ILE A 143 8.015 -9.485 -2.772 1.00 62.10 H new ATOM 0 HA ILE A 143 7.227 -8.290 -5.308 1.00 51.44 H new ATOM 0 HB ILE A 143 5.836 -6.689 -4.011 1.00 30.35 H new ATOM 0 HG12 ILE A 143 4.607 -7.900 -2.095 1.00 65.53 H new ATOM 0 HG13 ILE A 143 6.046 -8.896 -2.001 1.00 65.53 H new ATOM 0 HG21 ILE A 143 3.823 -8.099 -4.203 1.00 21.00 H new ATOM 0 HG22 ILE A 143 4.904 -8.256 -5.607 1.00 21.00 H new ATOM 0 HG23 ILE A 143 4.864 -9.533 -4.368 1.00 21.00 H new ATOM 0 HD11 ILE A 143 6.166 -7.032 -0.440 1.00 55.40 H new ATOM 0 HD12 ILE A 143 7.429 -6.892 -1.686 1.00 55.40 H new ATOM 0 HD13 ILE A 143 5.968 -5.880 -1.782 1.00 55.40 H new ATOM 1473 N PHE A 144 8.511 -6.176 -4.622 1.00 3.53 N ATOM 1474 CA PHE A 144 9.626 -5.271 -4.474 1.00 12.03 C ATOM 1475 C PHE A 144 9.288 -4.232 -3.433 1.00 43.51 C ATOM 1476 O PHE A 144 8.258 -3.557 -3.511 1.00 23.14 O ATOM 1477 CB PHE A 144 9.854 -4.510 -5.776 1.00 51.43 C ATOM 1478 CG PHE A 144 10.146 -5.341 -6.976 1.00 74.05 C ATOM 1479 CD1 PHE A 144 9.112 -5.901 -7.722 1.00 23.03 C ATOM 1480 CD2 PHE A 144 11.446 -5.544 -7.374 1.00 73.01 C ATOM 1481 CE1 PHE A 144 9.384 -6.653 -8.841 1.00 43.52 C ATOM 1482 CE2 PHE A 144 11.729 -6.292 -8.499 1.00 53.34 C ATOM 1483 CZ PHE A 144 10.695 -6.849 -9.231 1.00 73.24 C ATOM 0 H PHE A 144 7.840 -5.908 -5.342 1.00 3.53 H new ATOM 0 HA PHE A 144 10.505 -5.853 -4.197 1.00 12.03 H new ATOM 0 HB2 PHE A 144 8.968 -3.909 -5.982 1.00 51.43 H new ATOM 0 HB3 PHE A 144 10.682 -3.817 -5.628 1.00 51.43 H new ATOM 0 HD1 PHE A 144 8.087 -5.743 -7.419 1.00 23.03 H new ATOM 0 HD2 PHE A 144 12.254 -5.114 -6.801 1.00 73.01 H new ATOM 0 HE1 PHE A 144 8.577 -7.088 -9.412 1.00 43.52 H new ATOM 0 HE2 PHE A 144 12.753 -6.442 -8.807 1.00 53.34 H new ATOM 0 HZ PHE A 144 10.913 -7.438 -10.109 1.00 73.24 H new ATOM 1493 N GLU A 145 10.148 -4.123 -2.459 1.00 42.31 N ATOM 1494 CA GLU A 145 9.976 -3.201 -1.399 1.00 1.25 C ATOM 1495 C GLU A 145 10.747 -1.945 -1.741 1.00 20.33 C ATOM 1496 O GLU A 145 11.807 -2.010 -2.349 1.00 75.03 O ATOM 1497 CB GLU A 145 10.448 -3.787 -0.054 1.00 21.44 C ATOM 1498 CG GLU A 145 9.860 -5.146 0.301 1.00 64.02 C ATOM 1499 CD GLU A 145 9.624 -5.309 1.805 1.00 73.34 C ATOM 1500 OE1 GLU A 145 8.526 -4.916 2.300 1.00 51.41 O ATOM 1501 OE2 GLU A 145 10.497 -5.825 2.520 1.00 61.03 O ATOM 0 H GLU A 145 10.996 -4.685 -2.389 1.00 42.31 H new ATOM 0 HA GLU A 145 8.916 -2.973 -1.283 1.00 1.25 H new ATOM 0 HB2 GLU A 145 11.534 -3.873 -0.074 1.00 21.44 H new ATOM 0 HB3 GLU A 145 10.198 -3.082 0.739 1.00 21.44 H new ATOM 0 HG2 GLU A 145 8.916 -5.279 -0.228 1.00 64.02 H new ATOM 0 HG3 GLU A 145 10.533 -5.931 -0.045 1.00 64.02 H new ATOM 1508 N GLN A 146 10.221 -0.830 -1.391 1.00 11.04 N ATOM 1509 CA GLN A 146 10.828 0.422 -1.721 1.00 24.12 C ATOM 1510 C GLN A 146 11.082 1.214 -0.433 1.00 34.40 C ATOM 1511 O GLN A 146 10.128 1.567 0.289 1.00 60.23 O ATOM 1512 CB GLN A 146 9.904 1.170 -2.698 1.00 75.15 C ATOM 1513 CG GLN A 146 10.632 2.211 -3.505 1.00 30.42 C ATOM 1514 CD GLN A 146 9.822 2.844 -4.599 1.00 13.44 C ATOM 1515 OE1 GLN A 146 9.804 2.365 -5.722 1.00 14.34 O ATOM 1516 NE2 GLN A 146 9.174 3.940 -4.304 1.00 41.01 N ATOM 0 H GLN A 146 9.351 -0.751 -0.864 1.00 11.04 H new ATOM 0 HA GLN A 146 11.792 0.279 -2.210 1.00 24.12 H new ATOM 0 HB2 GLN A 146 9.439 0.452 -3.374 1.00 75.15 H new ATOM 0 HB3 GLN A 146 9.100 1.647 -2.138 1.00 75.15 H new ATOM 0 HG2 GLN A 146 10.980 2.994 -2.831 1.00 30.42 H new ATOM 0 HG3 GLN A 146 11.517 1.754 -3.947 1.00 30.42 H new ATOM 0 HE21 GLN A 146 9.210 4.314 -3.356 1.00 41.01 H new ATOM 0 HE22 GLN A 146 8.633 4.421 -5.022 1.00 41.01 H new ATOM 1525 N THR A 147 12.356 1.419 -0.103 1.00 61.33 N ATOM 1526 CA THR A 147 12.757 2.108 1.124 1.00 43.51 C ATOM 1527 C THR A 147 13.345 3.464 0.794 1.00 21.54 C ATOM 1528 O THR A 147 13.800 3.686 -0.316 1.00 61.31 O ATOM 1529 CB THR A 147 13.834 1.294 1.876 1.00 73.21 C ATOM 1530 OG1 THR A 147 14.086 0.051 1.175 1.00 61.51 O ATOM 1531 CG2 THR A 147 13.380 0.983 3.296 1.00 74.12 C ATOM 0 H THR A 147 13.140 1.112 -0.679 1.00 61.33 H new ATOM 0 HA THR A 147 11.870 2.220 1.747 1.00 43.51 H new ATOM 0 HB THR A 147 14.746 1.889 1.918 1.00 73.21 H new ATOM 0 HG1 THR A 147 14.433 -0.615 1.804 1.00 61.51 H new ATOM 0 HG21 THR A 147 14.153 0.409 3.808 1.00 74.12 H new ATOM 0 HG22 THR A 147 13.204 1.915 3.834 1.00 74.12 H new ATOM 0 HG23 THR A 147 12.458 0.402 3.264 1.00 74.12 H new ATOM 1539 N ILE A 148 13.343 4.353 1.735 1.00 64.23 N ATOM 1540 CA ILE A 148 13.898 5.668 1.527 1.00 74.24 C ATOM 1541 C ILE A 148 15.229 5.717 2.225 1.00 44.02 C ATOM 1542 O ILE A 148 15.468 4.983 3.176 1.00 25.13 O ATOM 1543 CB ILE A 148 12.985 6.764 2.121 1.00 14.53 C ATOM 1544 CG1 ILE A 148 11.547 6.469 1.732 1.00 11.01 C ATOM 1545 CG2 ILE A 148 13.393 8.116 1.535 1.00 14.21 C ATOM 1546 CD1 ILE A 148 10.486 7.055 2.612 1.00 4.11 C ATOM 0 H ILE A 148 12.961 4.197 2.668 1.00 64.23 H new ATOM 0 HA ILE A 148 13.996 5.851 0.457 1.00 74.24 H new ATOM 0 HB ILE A 148 13.080 6.784 3.207 1.00 14.53 H new ATOM 0 HG12 ILE A 148 11.387 6.831 0.716 1.00 11.01 H new ATOM 0 HG13 ILE A 148 11.414 5.387 1.710 1.00 11.01 H new ATOM 0 HG21 ILE A 148 12.755 8.898 1.947 1.00 14.21 H new ATOM 0 HG22 ILE A 148 14.432 8.324 1.789 1.00 14.21 H new ATOM 0 HG23 ILE A 148 13.282 8.091 0.451 1.00 14.21 H new ATOM 0 HD11 ILE A 148 9.503 6.775 2.233 1.00 4.11 H new ATOM 0 HD12 ILE A 148 10.605 6.676 3.627 1.00 4.11 H new ATOM 0 HD13 ILE A 148 10.577 8.141 2.618 1.00 4.11 H new ATOM 1558 N ASN A 149 16.083 6.558 1.753 1.00 20.41 N ATOM 1559 CA ASN A 149 17.402 6.724 2.312 1.00 3.44 C ATOM 1560 C ASN A 149 17.457 7.931 3.242 1.00 54.21 C ATOM 1561 O ASN A 149 18.527 8.358 3.649 1.00 5.43 O ATOM 1562 CB ASN A 149 18.435 6.867 1.169 1.00 42.31 C ATOM 1563 CG ASN A 149 18.060 7.893 0.092 1.00 42.30 C ATOM 1564 OD1 ASN A 149 17.431 8.981 0.462 1.00 62.54 O flip ATOM 1565 ND2 ASN A 149 18.387 7.714 -1.079 1.00 43.41 N flip ATOM 0 H ASN A 149 15.892 7.165 0.955 1.00 20.41 H new ATOM 0 HA ASN A 149 17.644 5.842 2.905 1.00 3.44 H new ATOM 0 HB2 ASN A 149 19.397 7.147 1.599 1.00 42.31 H new ATOM 0 HB3 ASN A 149 18.569 5.895 0.695 1.00 42.31 H new ATOM 0 HD21 ASN A 149 18.876 6.860 -1.347 1.00 43.41 H new ATOM 0 HD22 ASN A 149 18.169 8.419 -1.783 1.00 43.41 H new ATOM 1572 N ASP A 150 16.294 8.467 3.596 1.00 41.41 N ATOM 1573 CA ASP A 150 16.268 9.706 4.374 1.00 54.04 C ATOM 1574 C ASP A 150 14.982 9.833 5.171 1.00 70.33 C ATOM 1575 O ASP A 150 15.001 9.990 6.382 1.00 61.33 O ATOM 1576 CB ASP A 150 16.374 10.872 3.417 1.00 70.43 C ATOM 1577 CG ASP A 150 16.783 12.165 4.081 1.00 12.42 C ATOM 1578 OD1 ASP A 150 15.922 12.878 4.629 1.00 34.12 O ATOM 1579 OD2 ASP A 150 17.987 12.494 4.065 1.00 20.44 O ATOM 0 H ASP A 150 15.379 8.079 3.366 1.00 41.41 H new ATOM 0 HA ASP A 150 17.102 9.697 5.076 1.00 54.04 H new ATOM 0 HB2 ASP A 150 17.098 10.628 2.639 1.00 70.43 H new ATOM 0 HB3 ASP A 150 15.412 11.015 2.924 1.00 70.43 H new ATOM 1584 N LEU A 151 13.862 9.715 4.473 1.00 51.43 N ATOM 1585 CA LEU A 151 12.502 9.858 5.054 1.00 71.24 C ATOM 1586 C LEU A 151 12.048 8.532 5.649 1.00 20.43 C ATOM 1587 O LEU A 151 10.856 8.295 5.831 1.00 53.55 O ATOM 1588 CB LEU A 151 11.531 10.216 3.936 1.00 30.02 C ATOM 1589 CG LEU A 151 11.941 11.330 3.012 1.00 12.13 C ATOM 1590 CD1 LEU A 151 11.432 11.038 1.631 1.00 1.31 C ATOM 1591 CD2 LEU A 151 11.351 12.616 3.459 1.00 24.13 C ATOM 0 H LEU A 151 13.854 9.515 3.473 1.00 51.43 H new ATOM 0 HA LEU A 151 12.523 10.628 5.826 1.00 71.24 H new ATOM 0 HB2 LEU A 151 11.360 9.322 3.336 1.00 30.02 H new ATOM 0 HB3 LEU A 151 10.576 10.484 4.388 1.00 30.02 H new ATOM 0 HG LEU A 151 13.028 11.404 3.017 1.00 12.13 H new ATOM 0 HD11 LEU A 151 11.726 11.842 0.957 1.00 1.31 H new ATOM 0 HD12 LEU A 151 11.854 10.097 1.279 1.00 1.31 H new ATOM 0 HD13 LEU A 151 10.345 10.962 1.652 1.00 1.31 H new ATOM 0 HD21 LEU A 151 11.657 13.412 2.780 1.00 24.13 H new ATOM 0 HD22 LEU A 151 10.264 12.537 3.459 1.00 24.13 H new ATOM 0 HD23 LEU A 151 11.698 12.845 4.467 1.00 24.13 H new ATOM 1603 N THR A 152 13.005 7.705 5.950 1.00 21.35 N ATOM 1604 CA THR A 152 12.825 6.370 6.470 1.00 70.52 C ATOM 1605 C THR A 152 11.930 6.352 7.734 1.00 11.02 C ATOM 1606 O THR A 152 11.121 5.430 7.941 1.00 2.12 O ATOM 1607 CB THR A 152 14.225 5.819 6.778 1.00 43.22 C ATOM 1608 OG1 THR A 152 15.051 6.057 5.627 1.00 34.22 O ATOM 1609 CG2 THR A 152 14.209 4.331 7.057 1.00 73.40 C ATOM 0 H THR A 152 13.988 7.952 5.835 1.00 21.35 H new ATOM 0 HA THR A 152 12.312 5.750 5.735 1.00 70.52 H new ATOM 0 HB THR A 152 14.604 6.319 7.670 1.00 43.22 H new ATOM 0 HG1 THR A 152 14.856 5.386 4.940 1.00 34.22 H new ATOM 0 HG21 THR A 152 15.222 3.990 7.269 1.00 73.40 H new ATOM 0 HG22 THR A 152 13.571 4.129 7.917 1.00 73.40 H new ATOM 0 HG23 THR A 152 13.823 3.802 6.186 1.00 73.40 H new ATOM 1617 N PHE A 153 12.033 7.383 8.543 1.00 14.11 N ATOM 1618 CA PHE A 153 11.245 7.475 9.760 1.00 25.43 C ATOM 1619 C PHE A 153 10.672 8.869 9.911 1.00 10.43 C ATOM 1620 O PHE A 153 11.175 9.814 9.278 1.00 4.14 O ATOM 1621 CB PHE A 153 12.088 7.115 10.980 1.00 3.14 C ATOM 1622 CG PHE A 153 12.577 5.685 11.007 1.00 54.45 C ATOM 1623 CD1 PHE A 153 11.732 4.663 11.395 1.00 1.45 C ATOM 1624 CD2 PHE A 153 13.878 5.369 10.648 1.00 32.02 C ATOM 1625 CE1 PHE A 153 12.168 3.358 11.426 1.00 32.44 C ATOM 1626 CE2 PHE A 153 14.321 4.059 10.678 1.00 41.12 C ATOM 1627 CZ PHE A 153 13.464 3.053 11.067 1.00 3.12 C ATOM 0 H PHE A 153 12.656 8.174 8.382 1.00 14.11 H new ATOM 0 HA PHE A 153 10.423 6.763 9.690 1.00 25.43 H new ATOM 0 HB2 PHE A 153 12.950 7.781 11.019 1.00 3.14 H new ATOM 0 HB3 PHE A 153 11.501 7.301 11.879 1.00 3.14 H new ATOM 0 HD1 PHE A 153 10.715 4.891 11.678 1.00 1.45 H new ATOM 0 HD2 PHE A 153 14.553 6.154 10.342 1.00 32.02 H new ATOM 0 HE1 PHE A 153 11.494 2.572 11.732 1.00 32.44 H new ATOM 0 HE2 PHE A 153 15.337 3.825 10.397 1.00 41.12 H new ATOM 0 HZ PHE A 153 13.806 2.029 11.091 1.00 3.12 H new