USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 727 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 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= -0.83 USER MOD Set 2.1: A 76 MET CE :methyl -121:sc= -0.0547 (180deg=-1.86) USER MOD Set 2.2: A 83 SER OG : rot -4:sc= -0.543 USER MOD Set 3.1: A 67 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.112) USER MOD Set 3.2: A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -30:sc= -2.62 USER MOD Single : A 42 THR OG1 : rot 78:sc= -0.0724 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.284 K(o=0.28,f=-1.9!) USER MOD Single : A 54 ASN : amide:sc= -5.53! C(o=-5.5!,f=-11!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.532 USER MOD Single : A 59 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.28) USER MOD Single : A 60 GLN : amide:sc= -0.0636 X(o=-0.064,f=0.026) USER MOD Single : A 68 CYS SG : rot -109:sc= -2.33! USER MOD Single : A 79 ASN : amide:sc= -0.0329 X(o=-0.033,f=-0.033) USER MOD Single : A 87 TYR OH : rot 180:sc= -0.947 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0225 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0479 USER MOD Single : A 93 SER OG : rot 171:sc= 0.367 USER MOD Single : A 94 LYS NZ :NH3+ -137:sc= -0.23 (180deg=-1.29) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 90:sc= 1.06 USER MOD Single : A 101 ASN : amide:sc= -1.18 K(o=-1.2,f=-6.3!) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.011) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 230 N ILE A 35 1.294 8.705 9.129 1.00 0.00 N ATOM 231 CA ILE A 35 1.170 8.592 7.681 1.00 0.00 C ATOM 232 C ILE A 35 0.033 9.462 7.157 1.00 0.00 C ATOM 233 O ILE A 35 -1.109 9.341 7.600 1.00 0.00 O ATOM 234 CB ILE A 35 0.929 7.135 7.247 1.00 0.00 C ATOM 235 CG1 ILE A 35 2.148 6.272 7.579 1.00 0.00 C ATOM 236 CG2 ILE A 35 0.615 7.069 5.760 1.00 0.00 C ATOM 237 CD1 ILE A 35 1.911 4.791 7.386 1.00 0.00 C ATOM 0 HA ILE A 35 2.113 8.936 7.257 1.00 0.00 H new ATOM 0 HB ILE A 35 0.072 6.746 7.796 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.984 6.582 6.952 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.440 6.453 8.613 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.447 6.032 5.469 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.281 7.654 5.551 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.453 7.474 5.193 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.817 4.241 7.640 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.096 4.466 8.033 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.648 4.597 6.346 1.00 0.00 H new ATOM 249 N GLU A 36 0.352 10.338 6.209 1.00 0.00 N ATOM 250 CA GLU A 36 -0.644 11.227 5.624 1.00 0.00 C ATOM 251 C GLU A 36 -1.060 10.741 4.239 1.00 0.00 C ATOM 252 O GLU A 36 -0.231 10.613 3.338 1.00 0.00 O ATOM 253 CB GLU A 36 -0.096 12.654 5.533 1.00 0.00 C ATOM 254 CG GLU A 36 0.111 13.314 6.885 1.00 0.00 C ATOM 255 CD GLU A 36 0.639 14.731 6.768 1.00 0.00 C ATOM 256 OE1 GLU A 36 1.875 14.901 6.722 1.00 0.00 O ATOM 257 OE2 GLU A 36 -0.184 15.668 6.721 1.00 0.00 O ATOM 0 H GLU A 36 1.292 10.451 5.830 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.522 11.223 6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.853 12.636 4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.783 13.261 4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.834 13.326 7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.809 12.718 7.473 1.00 0.00 H new ATOM 264 N THR A 37 -2.352 10.471 4.076 1.00 0.00 N ATOM 265 CA THR A 37 -2.880 9.997 2.803 1.00 0.00 C ATOM 266 C THR A 37 -3.886 10.984 2.224 1.00 0.00 C ATOM 267 O THR A 37 -4.792 11.443 2.921 1.00 0.00 O ATOM 268 CB THR A 37 -3.554 8.621 2.952 1.00 0.00 C ATOM 269 OG1 THR A 37 -4.754 8.744 3.724 1.00 0.00 O ATOM 270 CG2 THR A 37 -2.615 7.627 3.620 1.00 0.00 C ATOM 0 H THR A 37 -3.052 10.573 4.811 1.00 0.00 H new ATOM 0 HA THR A 37 -2.033 9.906 2.123 1.00 0.00 H new ATOM 0 HB THR A 37 -3.799 8.252 1.956 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.178 7.865 3.813 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.114 6.662 3.714 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.716 7.513 3.015 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.342 7.993 4.610 1.00 0.00 H new ATOM 278 N VAL A 38 -3.724 11.306 0.944 1.00 0.00 N ATOM 279 CA VAL A 38 -4.621 12.237 0.271 1.00 0.00 C ATOM 280 C VAL A 38 -5.922 11.553 -0.133 1.00 0.00 C ATOM 281 O VAL A 38 -6.018 10.326 -0.126 1.00 0.00 O ATOM 282 CB VAL A 38 -3.963 12.844 -0.983 1.00 0.00 C ATOM 283 CG1 VAL A 38 -2.772 13.707 -0.595 1.00 0.00 C ATOM 284 CG2 VAL A 38 -3.543 11.745 -1.947 1.00 0.00 C ATOM 0 H VAL A 38 -2.980 10.936 0.353 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.838 13.035 0.981 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.693 13.478 -1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.319 14.128 -1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.105 14.515 0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.037 13.097 -0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.080 12.191 -2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.828 11.084 -1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.419 11.171 -2.249 1.00 0.00 H new ATOM 294 N SER A 39 -6.922 12.355 -0.484 1.00 0.00 N ATOM 295 CA SER A 39 -8.220 11.827 -0.888 1.00 0.00 C ATOM 296 C SER A 39 -8.252 11.554 -2.388 1.00 0.00 C ATOM 297 O SER A 39 -8.776 10.533 -2.834 1.00 0.00 O ATOM 298 CB SER A 39 -9.332 12.808 -0.512 1.00 0.00 C ATOM 299 OG SER A 39 -10.588 12.155 -0.453 1.00 0.00 O ATOM 0 H SER A 39 -6.858 13.373 -0.497 1.00 0.00 H new ATOM 0 HA SER A 39 -8.382 10.886 -0.362 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.109 13.263 0.453 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.372 13.615 -1.243 1.00 0.00 H new ATOM 0 HG SER A 39 -11.282 12.802 -0.209 1.00 0.00 H new ATOM 305 N TYR A 40 -7.689 12.475 -3.163 1.00 0.00 N ATOM 306 CA TYR A 40 -7.655 12.336 -4.614 1.00 0.00 C ATOM 307 C TYR A 40 -6.789 11.150 -5.027 1.00 0.00 C ATOM 308 O TYR A 40 -5.916 10.712 -4.278 1.00 0.00 O ATOM 309 CB TYR A 40 -7.124 13.618 -5.257 1.00 0.00 C ATOM 310 CG TYR A 40 -5.734 13.997 -4.796 1.00 0.00 C ATOM 311 CD1 TYR A 40 -5.547 14.778 -3.662 1.00 0.00 C ATOM 312 CD2 TYR A 40 -4.610 13.575 -5.493 1.00 0.00 C ATOM 313 CE1 TYR A 40 -4.280 15.127 -3.236 1.00 0.00 C ATOM 314 CE2 TYR A 40 -3.339 13.918 -5.075 1.00 0.00 C ATOM 315 CZ TYR A 40 -3.179 14.694 -3.946 1.00 0.00 C ATOM 316 OH TYR A 40 -1.915 15.039 -3.526 1.00 0.00 O ATOM 0 H TYR A 40 -7.250 13.326 -2.810 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.673 12.158 -4.961 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.117 13.495 -6.340 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.808 14.437 -5.033 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.407 15.118 -3.104 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.732 12.968 -6.378 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.152 15.735 -2.353 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.475 13.581 -5.629 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.947 15.907 -3.073 1.00 0.00 H new ATOM 326 N ALA A 41 -7.037 10.635 -6.227 1.00 0.00 N ATOM 327 CA ALA A 41 -6.280 9.501 -6.743 1.00 0.00 C ATOM 328 C ALA A 41 -4.804 9.852 -6.896 1.00 0.00 C ATOM 329 O ALA A 41 -4.456 10.963 -7.300 1.00 0.00 O ATOM 330 CB ALA A 41 -6.857 9.043 -8.075 1.00 0.00 C ATOM 0 H ALA A 41 -7.756 10.985 -6.860 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.360 8.684 -6.025 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.282 8.196 -8.449 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.896 8.744 -7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.807 9.861 -8.794 1.00 0.00 H new ATOM 336 N THR A 42 -3.936 8.897 -6.572 1.00 0.00 N ATOM 337 CA THR A 42 -2.498 9.106 -6.671 1.00 0.00 C ATOM 338 C THR A 42 -1.792 7.842 -7.151 1.00 0.00 C ATOM 339 O THR A 42 -2.102 6.739 -6.705 1.00 0.00 O ATOM 340 CB THR A 42 -1.897 9.533 -5.319 1.00 0.00 C ATOM 341 OG1 THR A 42 -2.209 8.560 -4.315 1.00 0.00 O ATOM 342 CG2 THR A 42 -2.429 10.894 -4.895 1.00 0.00 C ATOM 0 H THR A 42 -4.206 7.971 -6.239 1.00 0.00 H new ATOM 0 HA THR A 42 -2.344 9.905 -7.397 1.00 0.00 H new ATOM 0 HB THR A 42 -0.815 9.603 -5.434 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.617 7.786 -4.415 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.990 11.174 -3.937 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.165 11.638 -5.647 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.514 10.846 -4.797 1.00 0.00 H new ATOM 350 N GLN A 43 -0.840 8.014 -8.064 1.00 0.00 N ATOM 351 CA GLN A 43 -0.090 6.886 -8.604 1.00 0.00 C ATOM 352 C GLN A 43 0.475 6.020 -7.484 1.00 0.00 C ATOM 353 O GLN A 43 0.479 4.793 -7.577 1.00 0.00 O ATOM 354 CB GLN A 43 1.045 7.384 -9.501 1.00 0.00 C ATOM 355 CG GLN A 43 0.591 7.772 -10.899 1.00 0.00 C ATOM 356 CD GLN A 43 1.704 8.389 -11.724 1.00 0.00 C ATOM 357 OE1 GLN A 43 2.330 9.365 -11.311 1.00 0.00 O ATOM 358 NE2 GLN A 43 1.955 7.820 -12.897 1.00 0.00 N ATOM 0 H GLN A 43 -0.571 8.921 -8.444 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.774 6.279 -9.197 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.518 8.245 -9.030 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.804 6.606 -9.578 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.211 6.888 -11.412 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.236 8.478 -10.825 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.410 7.012 -13.199 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.692 8.191 -13.496 1.00 0.00 H new ATOM 367 N SER A 44 0.950 6.667 -6.424 1.00 0.00 N ATOM 368 CA SER A 44 1.520 5.956 -5.286 1.00 0.00 C ATOM 369 C SER A 44 0.425 5.494 -4.330 1.00 0.00 C ATOM 370 O SER A 44 -0.652 6.087 -4.268 1.00 0.00 O ATOM 371 CB SER A 44 2.517 6.851 -4.546 1.00 0.00 C ATOM 372 OG SER A 44 3.553 7.285 -5.410 1.00 0.00 O ATOM 0 H SER A 44 0.951 7.683 -6.330 1.00 0.00 H new ATOM 0 HA SER A 44 2.043 5.077 -5.663 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.997 7.716 -4.134 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.945 6.306 -3.705 1.00 0.00 H new ATOM 0 HG SER A 44 4.175 7.856 -4.913 1.00 0.00 H new ATOM 378 N LEU A 45 0.710 4.433 -3.583 1.00 0.00 N ATOM 379 CA LEU A 45 -0.250 3.890 -2.628 1.00 0.00 C ATOM 380 C LEU A 45 0.462 3.329 -1.401 1.00 0.00 C ATOM 381 O LEU A 45 1.634 2.957 -1.465 1.00 0.00 O ATOM 382 CB LEU A 45 -1.091 2.797 -3.287 1.00 0.00 C ATOM 383 CG LEU A 45 -2.030 3.254 -4.404 1.00 0.00 C ATOM 384 CD1 LEU A 45 -2.512 2.062 -5.217 1.00 0.00 C ATOM 385 CD2 LEU A 45 -3.210 4.022 -3.829 1.00 0.00 C ATOM 0 H LEU A 45 1.598 3.932 -3.620 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.905 4.700 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.417 2.043 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.687 2.310 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.478 3.920 -5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.179 2.406 -6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.656 1.554 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.047 1.370 -4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.867 4.339 -4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.763 3.380 -3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.847 4.898 -3.292 1.00 0.00 H new ATOM 397 N VAL A 46 -0.255 3.270 -0.282 1.00 0.00 N ATOM 398 CA VAL A 46 0.306 2.752 0.959 1.00 0.00 C ATOM 399 C VAL A 46 -0.440 1.506 1.422 1.00 0.00 C ATOM 400 O VAL A 46 -1.650 1.544 1.653 1.00 0.00 O ATOM 401 CB VAL A 46 0.263 3.809 2.079 1.00 0.00 C ATOM 402 CG1 VAL A 46 -1.176 4.114 2.469 1.00 0.00 C ATOM 403 CG2 VAL A 46 1.063 3.340 3.284 1.00 0.00 C ATOM 0 H VAL A 46 -1.226 3.575 -0.211 1.00 0.00 H new ATOM 0 HA VAL A 46 1.345 2.494 0.753 1.00 0.00 H new ATOM 0 HB VAL A 46 0.716 4.728 1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.187 4.863 3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.715 4.495 1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.658 3.203 2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.022 4.099 4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.641 2.408 3.660 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.100 3.177 2.991 1.00 0.00 H new ATOM 413 N VAL A 47 0.287 0.402 1.556 1.00 0.00 N ATOM 414 CA VAL A 47 -0.306 -0.857 1.993 1.00 0.00 C ATOM 415 C VAL A 47 -0.351 -0.944 3.514 1.00 0.00 C ATOM 416 O VAL A 47 0.686 -1.027 4.172 1.00 0.00 O ATOM 417 CB VAL A 47 0.474 -2.066 1.443 1.00 0.00 C ATOM 418 CG1 VAL A 47 -0.391 -3.317 1.470 1.00 0.00 C ATOM 419 CG2 VAL A 47 0.971 -1.782 0.033 1.00 0.00 C ATOM 0 H VAL A 47 1.288 0.353 1.368 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.323 -0.881 1.600 1.00 0.00 H new ATOM 0 HB VAL A 47 1.340 -2.239 2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.177 -4.161 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.693 -3.528 2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.278 -3.160 0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.520 -2.647 -0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.121 -1.583 -0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.629 -0.913 0.047 1.00 0.00 H new ATOM 429 N ALA A 48 -1.559 -0.926 4.067 1.00 0.00 N ATOM 430 CA ALA A 48 -1.739 -1.005 5.511 1.00 0.00 C ATOM 431 C ALA A 48 -1.815 -2.456 5.976 1.00 0.00 C ATOM 432 O ALA A 48 -2.077 -3.358 5.182 1.00 0.00 O ATOM 433 CB ALA A 48 -2.991 -0.249 5.929 1.00 0.00 C ATOM 0 H ALA A 48 -2.428 -0.857 3.537 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.873 -0.543 5.986 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.113 -0.317 7.010 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.898 0.798 5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.861 -0.686 5.438 1.00 0.00 H new ATOM 439 N ASN A 49 -1.581 -2.672 7.267 1.00 0.00 N ATOM 440 CA ASN A 49 -1.621 -4.014 7.836 1.00 0.00 C ATOM 441 C ASN A 49 -0.761 -4.975 7.023 1.00 0.00 C ATOM 442 O ASN A 49 -1.046 -6.170 6.951 1.00 0.00 O ATOM 443 CB ASN A 49 -3.063 -4.524 7.891 1.00 0.00 C ATOM 444 CG ASN A 49 -3.823 -3.979 9.086 1.00 0.00 C ATOM 445 OD1 ASN A 49 -3.230 -3.436 10.018 1.00 0.00 O ATOM 446 ND2 ASN A 49 -5.143 -4.123 9.063 1.00 0.00 N ATOM 0 H ASN A 49 -1.362 -1.935 7.938 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.221 -3.965 8.849 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.581 -4.241 6.975 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.059 -5.613 7.932 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.707 -3.777 9.839 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.592 -4.580 8.269 1.00 0.00 H new ATOM 453 N GLY A 50 0.295 -4.446 6.413 1.00 0.00 N ATOM 454 CA GLY A 50 1.181 -5.271 5.614 1.00 0.00 C ATOM 455 C GLY A 50 2.641 -5.072 5.974 1.00 0.00 C ATOM 456 O GLY A 50 3.019 -5.177 7.139 1.00 0.00 O ATOM 0 H GLY A 50 0.553 -3.460 6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.916 -6.320 5.749 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.035 -5.039 4.559 1.00 0.00 H new ATOM 460 N GLY A 51 3.463 -4.785 4.969 1.00 0.00 N ATOM 461 CA GLY A 51 4.880 -4.577 5.205 1.00 0.00 C ATOM 462 C GLY A 51 5.567 -5.822 5.731 1.00 0.00 C ATOM 463 O GLY A 51 4.929 -6.689 6.328 1.00 0.00 O ATOM 0 H GLY A 51 3.173 -4.693 3.995 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.358 -4.266 4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.011 -3.764 5.919 1.00 0.00 H new ATOM 467 N LEU A 52 6.874 -5.911 5.508 1.00 0.00 N ATOM 468 CA LEU A 52 7.650 -7.060 5.962 1.00 0.00 C ATOM 469 C LEU A 52 7.256 -7.458 7.380 1.00 0.00 C ATOM 470 O LEU A 52 6.961 -8.621 7.651 1.00 0.00 O ATOM 471 CB LEU A 52 9.146 -6.744 5.906 1.00 0.00 C ATOM 472 CG LEU A 52 9.695 -6.336 4.538 1.00 0.00 C ATOM 473 CD1 LEU A 52 11.017 -5.600 4.691 1.00 0.00 C ATOM 474 CD2 LEU A 52 9.863 -7.557 3.645 1.00 0.00 C ATOM 0 H LEU A 52 7.418 -5.202 5.016 1.00 0.00 H new ATOM 0 HA LEU A 52 7.436 -7.897 5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.354 -5.941 6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.695 -7.621 6.249 1.00 0.00 H new ATOM 0 HG LEU A 52 8.980 -5.662 4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.392 -5.318 3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.867 -4.704 5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.741 -6.250 5.182 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.254 -7.248 2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.558 -8.256 4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.897 -8.043 3.508 1.00 0.00 H new ATOM 486 N GLY A 53 7.252 -6.482 8.284 1.00 0.00 N ATOM 487 CA GLY A 53 6.890 -6.750 9.664 1.00 0.00 C ATOM 488 C GLY A 53 5.710 -7.694 9.780 1.00 0.00 C ATOM 489 O GLY A 53 5.646 -8.507 10.702 1.00 0.00 O ATOM 0 H GLY A 53 7.493 -5.511 8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.747 -7.178 10.185 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.651 -5.811 10.163 1.00 0.00 H new ATOM 493 N ASN A 54 4.771 -7.583 8.846 1.00 0.00 N ATOM 494 CA ASN A 54 3.586 -8.433 8.850 1.00 0.00 C ATOM 495 C ASN A 54 3.844 -9.730 8.089 1.00 0.00 C ATOM 496 O ASN A 54 2.948 -10.273 7.444 1.00 0.00 O ATOM 497 CB ASN A 54 2.400 -7.692 8.229 1.00 0.00 C ATOM 498 CG ASN A 54 1.971 -6.494 9.053 1.00 0.00 C ATOM 499 OD1 ASN A 54 2.775 -5.904 9.776 1.00 0.00 O ATOM 500 ND2 ASN A 54 0.698 -6.130 8.950 1.00 0.00 N ATOM 0 H ASN A 54 4.808 -6.913 8.077 1.00 0.00 H new ATOM 0 HA ASN A 54 3.350 -8.681 9.885 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.667 -7.362 7.225 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.560 -8.379 8.126 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.351 -5.332 9.482 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.067 -6.648 8.338 1.00 0.00 H new ATOM 507 N GLY A 55 5.076 -10.223 8.171 1.00 0.00 N ATOM 508 CA GLY A 55 5.430 -11.452 7.486 1.00 0.00 C ATOM 509 C GLY A 55 5.007 -11.449 6.031 1.00 0.00 C ATOM 510 O GLY A 55 4.736 -12.502 5.453 1.00 0.00 O ATOM 0 H GLY A 55 5.835 -9.793 8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.508 -11.600 7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.963 -12.295 7.995 1.00 0.00 H new ATOM 514 N VAL A 56 4.949 -10.261 5.437 1.00 0.00 N ATOM 515 CA VAL A 56 4.555 -10.124 4.040 1.00 0.00 C ATOM 516 C VAL A 56 5.762 -9.832 3.155 1.00 0.00 C ATOM 517 O VAL A 56 6.282 -8.716 3.146 1.00 0.00 O ATOM 518 CB VAL A 56 3.514 -9.004 3.857 1.00 0.00 C ATOM 519 CG1 VAL A 56 3.373 -8.640 2.387 1.00 0.00 C ATOM 520 CG2 VAL A 56 2.174 -9.422 4.441 1.00 0.00 C ATOM 0 H VAL A 56 5.170 -9.380 5.901 1.00 0.00 H new ATOM 0 HA VAL A 56 4.111 -11.074 3.742 1.00 0.00 H new ATOM 0 HB VAL A 56 3.859 -8.120 4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.633 -7.847 2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.333 -8.295 2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.051 -9.516 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.450 -8.619 4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.820 -10.320 3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.289 -9.628 5.505 1.00 0.00 H new ATOM 530 N SER A 57 6.202 -10.841 2.411 1.00 0.00 N ATOM 531 CA SER A 57 7.349 -10.693 1.524 1.00 0.00 C ATOM 532 C SER A 57 6.958 -9.957 0.246 1.00 0.00 C ATOM 533 O SER A 57 5.789 -9.941 -0.140 1.00 0.00 O ATOM 534 CB SER A 57 7.933 -12.064 1.177 1.00 0.00 C ATOM 535 OG SER A 57 7.001 -12.846 0.451 1.00 0.00 O ATOM 0 H SER A 57 5.781 -11.770 2.405 1.00 0.00 H new ATOM 0 HA SER A 57 8.105 -10.105 2.045 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.842 -11.937 0.589 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.215 -12.585 2.092 1.00 0.00 H new ATOM 0 HG SER A 57 7.399 -13.716 0.240 1.00 0.00 H new ATOM 541 N ARG A 58 7.943 -9.349 -0.405 1.00 0.00 N ATOM 542 CA ARG A 58 7.703 -8.609 -1.638 1.00 0.00 C ATOM 543 C ARG A 58 7.110 -9.519 -2.710 1.00 0.00 C ATOM 544 O ARG A 58 6.202 -9.123 -3.441 1.00 0.00 O ATOM 545 CB ARG A 58 9.004 -7.986 -2.147 1.00 0.00 C ATOM 546 CG ARG A 58 8.903 -7.431 -3.558 1.00 0.00 C ATOM 547 CD ARG A 58 10.129 -6.609 -3.922 1.00 0.00 C ATOM 548 NE ARG A 58 9.837 -5.615 -4.950 1.00 0.00 N ATOM 549 CZ ARG A 58 10.768 -4.888 -5.558 1.00 0.00 C ATOM 550 NH1 ARG A 58 12.046 -5.047 -5.243 1.00 0.00 N ATOM 551 NH2 ARG A 58 10.423 -4.003 -6.484 1.00 0.00 N ATOM 0 H ARG A 58 8.916 -9.354 -0.099 1.00 0.00 H new ATOM 0 HA ARG A 58 6.989 -7.815 -1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.302 -7.184 -1.471 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.793 -8.738 -2.117 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.791 -8.252 -4.266 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.010 -6.812 -3.644 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.507 -6.108 -3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.919 -7.273 -4.274 1.00 0.00 H new ATOM 0 HE ARG A 58 8.863 -5.470 -5.217 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.315 -5.728 -4.533 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.760 -4.488 -5.711 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.441 -3.879 -6.731 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.140 -3.446 -6.949 1.00 0.00 H new ATOM 565 N ASN A 59 7.630 -10.738 -2.798 1.00 0.00 N ATOM 566 CA ASN A 59 7.152 -11.704 -3.782 1.00 0.00 C ATOM 567 C ASN A 59 5.791 -12.262 -3.379 1.00 0.00 C ATOM 568 O ASN A 59 5.185 -13.039 -4.117 1.00 0.00 O ATOM 569 CB ASN A 59 8.159 -12.845 -3.938 1.00 0.00 C ATOM 570 CG ASN A 59 7.737 -13.850 -4.992 1.00 0.00 C ATOM 571 OD1 ASN A 59 7.453 -15.008 -4.683 1.00 0.00 O ATOM 572 ND2 ASN A 59 7.691 -13.411 -6.244 1.00 0.00 N ATOM 0 H ASN A 59 8.382 -11.081 -2.201 1.00 0.00 H new ATOM 0 HA ASN A 59 7.045 -11.190 -4.737 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.133 -12.433 -4.203 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.278 -13.354 -2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.412 -14.042 -6.996 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.935 -12.443 -6.454 1.00 0.00 H new ATOM 579 N GLN A 60 5.318 -11.862 -2.204 1.00 0.00 N ATOM 580 CA GLN A 60 4.028 -12.323 -1.703 1.00 0.00 C ATOM 581 C GLN A 60 2.994 -11.203 -1.750 1.00 0.00 C ATOM 582 O GLN A 60 1.791 -11.450 -1.658 1.00 0.00 O ATOM 583 CB GLN A 60 4.169 -12.843 -0.272 1.00 0.00 C ATOM 584 CG GLN A 60 2.850 -13.262 0.356 1.00 0.00 C ATOM 585 CD GLN A 60 2.122 -14.311 -0.461 1.00 0.00 C ATOM 586 OE1 GLN A 60 1.077 -14.038 -1.053 1.00 0.00 O ATOM 587 NE2 GLN A 60 2.671 -15.519 -0.499 1.00 0.00 N ATOM 0 H GLN A 60 5.808 -11.220 -1.581 1.00 0.00 H new ATOM 0 HA GLN A 60 3.687 -13.135 -2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.850 -13.694 -0.269 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.625 -12.068 0.344 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.036 -13.651 1.357 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.211 -12.386 0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.538 -15.701 0.007 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.226 -16.265 -1.034 1.00 0.00 H new ATOM 596 N LEU A 61 3.469 -9.971 -1.892 1.00 0.00 N ATOM 597 CA LEU A 61 2.586 -8.811 -1.950 1.00 0.00 C ATOM 598 C LEU A 61 2.549 -8.226 -3.359 1.00 0.00 C ATOM 599 O LEU A 61 1.495 -7.810 -3.842 1.00 0.00 O ATOM 600 CB LEU A 61 3.045 -7.745 -0.954 1.00 0.00 C ATOM 601 CG LEU A 61 2.092 -6.567 -0.746 1.00 0.00 C ATOM 602 CD1 LEU A 61 0.791 -7.039 -0.116 1.00 0.00 C ATOM 603 CD2 LEU A 61 2.747 -5.499 0.118 1.00 0.00 C ATOM 0 H LEU A 61 4.462 -9.749 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 61 1.580 -9.137 -1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.213 -8.225 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.006 -7.354 -1.288 1.00 0.00 H new ATOM 0 HG LEU A 61 1.864 -6.131 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.125 -6.188 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.314 -7.769 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.000 -7.499 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.055 -4.668 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.003 -5.923 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.652 -5.140 -0.371 1.00 0.00 H new ATOM 615 N LEU A 62 3.704 -8.198 -4.013 1.00 0.00 N ATOM 616 CA LEU A 62 3.804 -7.665 -5.368 1.00 0.00 C ATOM 617 C LEU A 62 2.845 -8.387 -6.309 1.00 0.00 C ATOM 618 O LEU A 62 2.170 -7.775 -7.137 1.00 0.00 O ATOM 619 CB LEU A 62 5.237 -7.796 -5.884 1.00 0.00 C ATOM 620 CG LEU A 62 5.410 -7.759 -7.403 1.00 0.00 C ATOM 621 CD1 LEU A 62 5.186 -6.351 -7.932 1.00 0.00 C ATOM 622 CD2 LEU A 62 6.791 -8.264 -7.795 1.00 0.00 C ATOM 0 H LEU A 62 4.585 -8.538 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 62 3.530 -6.610 -5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.833 -6.992 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.651 -8.734 -5.514 1.00 0.00 H new ATOM 0 HG LEU A 62 4.664 -8.416 -7.850 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.313 -6.344 -9.015 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.176 -6.025 -7.683 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.908 -5.672 -7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.896 -8.231 -8.879 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.553 -7.633 -7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.915 -9.291 -7.450 1.00 0.00 H new ATOM 634 N PRO A 63 2.779 -9.721 -6.177 1.00 0.00 N ATOM 635 CA PRO A 63 1.903 -10.555 -7.006 1.00 0.00 C ATOM 636 C PRO A 63 0.481 -10.007 -7.080 1.00 0.00 C ATOM 637 O PRO A 63 -0.147 -10.024 -8.139 1.00 0.00 O ATOM 638 CB PRO A 63 1.918 -11.906 -6.288 1.00 0.00 C ATOM 639 CG PRO A 63 3.217 -11.934 -5.559 1.00 0.00 C ATOM 640 CD PRO A 63 3.554 -10.517 -5.211 1.00 0.00 C ATOM 0 HA PRO A 63 2.244 -10.602 -8.040 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.077 -11.998 -5.601 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.844 -12.731 -6.996 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.141 -12.545 -4.659 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.998 -12.375 -6.179 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.275 -10.281 -4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.623 -10.327 -5.303 1.00 0.00 H new ATOM 648 N VAL A 64 -0.021 -9.522 -5.949 1.00 0.00 N ATOM 649 CA VAL A 64 -1.368 -8.968 -5.887 1.00 0.00 C ATOM 650 C VAL A 64 -1.416 -7.569 -6.492 1.00 0.00 C ATOM 651 O VAL A 64 -2.452 -7.132 -6.995 1.00 0.00 O ATOM 652 CB VAL A 64 -1.882 -8.906 -4.436 1.00 0.00 C ATOM 653 CG1 VAL A 64 -3.338 -8.464 -4.404 1.00 0.00 C ATOM 654 CG2 VAL A 64 -1.710 -10.253 -3.752 1.00 0.00 C ATOM 0 H VAL A 64 0.485 -9.502 -5.063 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.011 -9.632 -6.465 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.292 -8.170 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.684 -8.426 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.428 -7.475 -4.854 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.946 -9.174 -4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.078 -10.191 -2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.274 -11.011 -4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.654 -10.524 -3.742 1.00 0.00 H new ATOM 664 N LEU A 65 -0.287 -6.870 -6.441 1.00 0.00 N ATOM 665 CA LEU A 65 -0.198 -5.519 -6.985 1.00 0.00 C ATOM 666 C LEU A 65 0.033 -5.554 -8.492 1.00 0.00 C ATOM 667 O LEU A 65 -0.152 -4.551 -9.180 1.00 0.00 O ATOM 668 CB LEU A 65 0.930 -4.746 -6.301 1.00 0.00 C ATOM 669 CG LEU A 65 0.940 -4.783 -4.773 1.00 0.00 C ATOM 670 CD1 LEU A 65 2.316 -4.422 -4.238 1.00 0.00 C ATOM 671 CD2 LEU A 65 -0.116 -3.842 -4.211 1.00 0.00 C ATOM 0 H LEU A 65 0.579 -7.216 -6.029 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.144 -5.013 -6.793 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.882 -5.138 -6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.874 -3.705 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 65 0.704 -5.798 -4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.303 -4.454 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.051 -5.135 -4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.583 -3.418 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.095 -3.881 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.090 -2.824 -4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.101 -4.146 -4.566 1.00 0.00 H new ATOM 683 N GLU A 66 0.436 -6.715 -8.998 1.00 0.00 N ATOM 684 CA GLU A 66 0.691 -6.879 -10.425 1.00 0.00 C ATOM 685 C GLU A 66 -0.574 -7.319 -11.156 1.00 0.00 C ATOM 686 O GLU A 66 -0.862 -6.851 -12.258 1.00 0.00 O ATOM 687 CB GLU A 66 1.807 -7.902 -10.651 1.00 0.00 C ATOM 688 CG GLU A 66 3.169 -7.434 -10.168 1.00 0.00 C ATOM 689 CD GLU A 66 4.311 -8.147 -10.866 1.00 0.00 C ATOM 690 OE1 GLU A 66 4.651 -9.274 -10.449 1.00 0.00 O ATOM 691 OE2 GLU A 66 4.866 -7.577 -11.829 1.00 0.00 O ATOM 0 H GLU A 66 0.593 -7.556 -8.442 1.00 0.00 H new ATOM 0 HA GLU A 66 1.005 -5.915 -10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.548 -8.829 -10.139 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.867 -8.132 -11.715 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.260 -6.361 -10.334 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.246 -7.598 -9.093 1.00 0.00 H new ATOM 698 N LYS A 67 -1.325 -8.221 -10.536 1.00 0.00 N ATOM 699 CA LYS A 67 -2.560 -8.725 -11.125 1.00 0.00 C ATOM 700 C LYS A 67 -3.534 -7.586 -11.406 1.00 0.00 C ATOM 701 O LYS A 67 -4.276 -7.619 -12.389 1.00 0.00 O ATOM 702 CB LYS A 67 -3.213 -9.750 -10.194 1.00 0.00 C ATOM 703 CG LYS A 67 -3.467 -9.223 -8.792 1.00 0.00 C ATOM 704 CD LYS A 67 -3.971 -10.319 -7.868 1.00 0.00 C ATOM 705 CE LYS A 67 -5.340 -10.824 -8.298 1.00 0.00 C ATOM 706 NZ LYS A 67 -6.399 -9.795 -8.100 1.00 0.00 N ATOM 0 H LYS A 67 -1.100 -8.619 -9.624 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.311 -9.208 -12.070 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.159 -10.073 -10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.574 -10.631 -10.132 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.547 -8.800 -8.389 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.198 -8.415 -8.833 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.262 -11.147 -7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.026 -9.940 -6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.307 -11.113 -9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.592 -11.719 -7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.335 -10.231 -8.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.326 -9.402 -7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.276 -9.032 -8.796 1.00 0.00 H new ATOM 720 N CYS A 68 -3.524 -6.579 -10.540 1.00 0.00 N ATOM 721 CA CYS A 68 -4.406 -5.428 -10.696 1.00 0.00 C ATOM 722 C CYS A 68 -3.912 -4.511 -11.810 1.00 0.00 C ATOM 723 O CYS A 68 -4.672 -4.131 -12.700 1.00 0.00 O ATOM 724 CB CYS A 68 -4.502 -4.650 -9.383 1.00 0.00 C ATOM 725 SG CYS A 68 -5.801 -5.237 -8.270 1.00 0.00 S ATOM 0 H CYS A 68 -2.915 -6.536 -9.723 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.396 -5.795 -10.965 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.543 -4.708 -8.868 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.679 -3.598 -9.608 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.762 -4.363 -8.225 1.00 0.00 H new ATOM 731 N GLY A 69 -2.632 -4.157 -11.753 1.00 0.00 N ATOM 732 CA GLY A 69 -2.057 -3.285 -12.761 1.00 0.00 C ATOM 733 C GLY A 69 -0.558 -3.461 -12.893 1.00 0.00 C ATOM 734 O GLY A 69 -0.018 -4.520 -12.571 1.00 0.00 O ATOM 0 H GLY A 69 -1.983 -4.459 -11.027 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.529 -3.486 -13.723 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.277 -2.248 -12.508 1.00 0.00 H new ATOM 738 N LEU A 70 0.118 -2.422 -13.371 1.00 0.00 N ATOM 739 CA LEU A 70 1.566 -2.466 -13.547 1.00 0.00 C ATOM 740 C LEU A 70 2.278 -1.815 -12.365 1.00 0.00 C ATOM 741 O LEU A 70 1.951 -0.697 -11.968 1.00 0.00 O ATOM 742 CB LEU A 70 1.963 -1.762 -14.846 1.00 0.00 C ATOM 743 CG LEU A 70 1.625 -2.503 -16.140 1.00 0.00 C ATOM 744 CD1 LEU A 70 1.800 -1.585 -17.341 1.00 0.00 C ATOM 745 CD2 LEU A 70 2.492 -3.745 -16.285 1.00 0.00 C ATOM 0 H LEU A 70 -0.313 -1.539 -13.644 1.00 0.00 H new ATOM 0 HA LEU A 70 1.869 -3.512 -13.600 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.476 -0.787 -14.871 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.038 -1.581 -14.824 1.00 0.00 H new ATOM 0 HG LEU A 70 0.582 -2.816 -16.096 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.555 -2.129 -18.253 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.137 -0.726 -17.242 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.834 -1.242 -17.389 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.238 -4.260 -17.211 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.542 -3.455 -16.307 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.318 -4.411 -15.440 1.00 0.00 H new ATOM 757 N VAL A 71 3.256 -2.523 -11.808 1.00 0.00 N ATOM 758 CA VAL A 71 4.017 -2.015 -10.673 1.00 0.00 C ATOM 759 C VAL A 71 5.365 -1.462 -11.120 1.00 0.00 C ATOM 760 O VAL A 71 6.257 -2.215 -11.513 1.00 0.00 O ATOM 761 CB VAL A 71 4.248 -3.111 -9.616 1.00 0.00 C ATOM 762 CG1 VAL A 71 5.149 -2.597 -8.503 1.00 0.00 C ATOM 763 CG2 VAL A 71 2.921 -3.599 -9.056 1.00 0.00 C ATOM 0 H VAL A 71 3.540 -3.450 -12.125 1.00 0.00 H new ATOM 0 HA VAL A 71 3.427 -1.213 -10.229 1.00 0.00 H new ATOM 0 HB VAL A 71 4.746 -3.954 -10.095 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.301 -3.385 -7.765 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.111 -2.301 -8.921 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.681 -1.737 -8.024 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.103 -4.373 -8.311 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.393 -2.766 -8.592 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.314 -4.008 -9.863 1.00 0.00 H new ATOM 773 N ASP A 72 5.509 -0.143 -11.057 1.00 0.00 N ATOM 774 CA ASP A 72 6.749 0.511 -11.453 1.00 0.00 C ATOM 775 C ASP A 72 7.811 0.367 -10.367 1.00 0.00 C ATOM 776 O ASP A 72 8.963 0.039 -10.651 1.00 0.00 O ATOM 777 CB ASP A 72 6.499 1.993 -11.745 1.00 0.00 C ATOM 778 CG ASP A 72 7.452 2.546 -12.786 1.00 0.00 C ATOM 779 OD1 ASP A 72 7.310 2.185 -13.974 1.00 0.00 O ATOM 780 OD2 ASP A 72 8.341 3.341 -12.414 1.00 0.00 O ATOM 0 H ASP A 72 4.781 0.494 -10.735 1.00 0.00 H new ATOM 0 HA ASP A 72 7.113 0.026 -12.359 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.473 2.125 -12.089 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.601 2.565 -10.823 1.00 0.00 H new ATOM 785 N ALA A 73 7.415 0.614 -9.123 1.00 0.00 N ATOM 786 CA ALA A 73 8.333 0.511 -7.995 1.00 0.00 C ATOM 787 C ALA A 73 7.581 0.220 -6.701 1.00 0.00 C ATOM 788 O ALA A 73 6.604 0.896 -6.373 1.00 0.00 O ATOM 789 CB ALA A 73 9.148 1.788 -7.859 1.00 0.00 C ATOM 0 H ALA A 73 6.465 0.887 -8.871 1.00 0.00 H new ATOM 0 HA ALA A 73 9.012 -0.321 -8.185 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.829 1.697 -7.013 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.722 1.952 -8.771 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.478 2.632 -7.696 1.00 0.00 H new ATOM 795 N LEU A 74 8.040 -0.789 -5.969 1.00 0.00 N ATOM 796 CA LEU A 74 7.409 -1.170 -4.710 1.00 0.00 C ATOM 797 C LEU A 74 8.364 -0.964 -3.538 1.00 0.00 C ATOM 798 O LEU A 74 9.321 -1.720 -3.363 1.00 0.00 O ATOM 799 CB LEU A 74 6.958 -2.631 -4.764 1.00 0.00 C ATOM 800 CG LEU A 74 6.570 -3.263 -3.427 1.00 0.00 C ATOM 801 CD1 LEU A 74 5.334 -2.585 -2.855 1.00 0.00 C ATOM 802 CD2 LEU A 74 6.332 -4.756 -3.592 1.00 0.00 C ATOM 0 H LEU A 74 8.847 -1.358 -6.225 1.00 0.00 H new ATOM 0 HA LEU A 74 6.538 -0.532 -4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.104 -2.702 -5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.761 -3.222 -5.203 1.00 0.00 H new ATOM 0 HG LEU A 74 7.394 -3.122 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.073 -3.048 -1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.539 -1.526 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.503 -2.695 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.057 -5.189 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.526 -4.919 -4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.242 -5.231 -3.957 1.00 0.00 H new ATOM 814 N LEU A 75 8.097 0.062 -2.738 1.00 0.00 N ATOM 815 CA LEU A 75 8.932 0.367 -1.581 1.00 0.00 C ATOM 816 C LEU A 75 8.465 -0.409 -0.353 1.00 0.00 C ATOM 817 O LEU A 75 7.309 -0.305 0.056 1.00 0.00 O ATOM 818 CB LEU A 75 8.905 1.868 -1.289 1.00 0.00 C ATOM 819 CG LEU A 75 9.717 2.332 -0.080 1.00 0.00 C ATOM 820 CD1 LEU A 75 11.202 2.346 -0.406 1.00 0.00 C ATOM 821 CD2 LEU A 75 9.255 3.709 0.376 1.00 0.00 C ATOM 0 H LEU A 75 7.309 0.697 -2.869 1.00 0.00 H new ATOM 0 HA LEU A 75 9.954 0.066 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.270 2.396 -2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.868 2.171 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 75 9.553 1.627 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.763 2.679 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.523 1.342 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.386 3.027 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.844 4.024 1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.388 4.425 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.202 3.666 0.653 1.00 0.00 H new ATOM 833 N MET A 76 9.372 -1.185 0.231 1.00 0.00 N ATOM 834 CA MET A 76 9.055 -1.975 1.414 1.00 0.00 C ATOM 835 C MET A 76 10.043 -1.690 2.540 1.00 0.00 C ATOM 836 O MET A 76 11.125 -2.275 2.611 1.00 0.00 O ATOM 837 CB MET A 76 9.066 -3.467 1.075 1.00 0.00 C ATOM 838 CG MET A 76 7.961 -3.882 0.117 1.00 0.00 C ATOM 839 SD MET A 76 7.670 -5.662 0.121 1.00 0.00 S ATOM 840 CE MET A 76 6.885 -5.873 1.718 1.00 0.00 C ATOM 0 H MET A 76 10.333 -1.283 -0.096 1.00 0.00 H new ATOM 0 HA MET A 76 8.057 -1.694 1.751 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.030 -3.724 0.637 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.971 -4.041 1.997 1.00 0.00 H new ATOM 0 HG2 MET A 76 7.039 -3.367 0.387 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.221 -3.563 -0.892 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.472 -6.564 2.323 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.824 -4.909 2.223 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.881 -6.275 1.580 1.00 0.00 H new ATOM 850 N PRO A 77 9.666 -0.771 3.441 1.00 0.00 N ATOM 851 CA PRO A 77 10.505 -0.388 4.580 1.00 0.00 C ATOM 852 C PRO A 77 10.618 -1.501 5.617 1.00 0.00 C ATOM 853 O PRO A 77 9.636 -2.156 5.970 1.00 0.00 O ATOM 854 CB PRO A 77 9.772 0.820 5.170 1.00 0.00 C ATOM 855 CG PRO A 77 8.352 0.638 4.761 1.00 0.00 C ATOM 856 CD PRO A 77 8.390 -0.036 3.417 1.00 0.00 C ATOM 0 HA PRO A 77 11.531 -0.176 4.278 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.870 0.852 6.255 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.178 1.756 4.786 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.812 0.030 5.487 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.837 1.597 4.702 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.542 -0.707 3.280 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.358 0.688 2.603 1.00 0.00 H new ATOM 864 N PRO A 78 11.842 -1.722 6.118 1.00 0.00 N ATOM 865 CA PRO A 78 12.112 -2.755 7.123 1.00 0.00 C ATOM 866 C PRO A 78 11.511 -2.413 8.482 1.00 0.00 C ATOM 867 O PRO A 78 11.501 -1.254 8.892 1.00 0.00 O ATOM 868 CB PRO A 78 13.640 -2.779 7.205 1.00 0.00 C ATOM 869 CG PRO A 78 14.065 -1.420 6.770 1.00 0.00 C ATOM 870 CD PRO A 78 13.058 -0.980 5.743 1.00 0.00 C ATOM 0 HA PRO A 78 11.671 -3.714 6.851 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.979 -2.994 8.219 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.059 -3.550 6.559 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.089 -0.730 7.613 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.069 -1.442 6.347 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.897 0.098 5.774 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.382 -1.225 4.732 1.00 0.00 H new ATOM 878 N ASN A 79 11.010 -3.431 9.175 1.00 0.00 N ATOM 879 CA ASN A 79 10.406 -3.237 10.488 1.00 0.00 C ATOM 880 C ASN A 79 9.234 -2.264 10.410 1.00 0.00 C ATOM 881 O ASN A 79 9.019 -1.459 11.318 1.00 0.00 O ATOM 882 CB ASN A 79 11.449 -2.719 11.480 1.00 0.00 C ATOM 883 CG ASN A 79 12.787 -3.418 11.332 1.00 0.00 C ATOM 884 OD1 ASN A 79 12.886 -4.634 11.502 1.00 0.00 O ATOM 885 ND2 ASN A 79 13.822 -2.651 11.012 1.00 0.00 N ATOM 0 H ASN A 79 11.010 -4.398 8.849 1.00 0.00 H new ATOM 0 HA ASN A 79 10.032 -4.200 10.834 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.584 -1.647 11.334 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.080 -2.858 12.496 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.747 -3.065 10.897 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.692 -1.648 10.881 1.00 0.00 H new ATOM 892 N LYS A 80 8.479 -2.341 9.319 1.00 0.00 N ATOM 893 CA LYS A 80 7.327 -1.470 9.122 1.00 0.00 C ATOM 894 C LYS A 80 6.126 -2.261 8.614 1.00 0.00 C ATOM 895 O LYS A 80 6.172 -2.895 7.560 1.00 0.00 O ATOM 896 CB LYS A 80 7.671 -0.353 8.134 1.00 0.00 C ATOM 897 CG LYS A 80 8.569 0.723 8.720 1.00 0.00 C ATOM 898 CD LYS A 80 7.990 1.294 10.004 1.00 0.00 C ATOM 899 CE LYS A 80 8.621 2.633 10.351 1.00 0.00 C ATOM 900 NZ LYS A 80 8.083 3.185 11.626 1.00 0.00 N ATOM 0 H LYS A 80 8.645 -2.999 8.557 1.00 0.00 H new ATOM 0 HA LYS A 80 7.067 -1.029 10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.161 -0.788 7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.747 0.108 7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.556 0.306 8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.702 1.523 7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.912 1.415 9.896 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.152 0.591 10.822 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.701 2.515 10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.438 3.341 9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.538 4.098 11.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.056 3.321 11.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.280 2.521 12.402 1.00 0.00 H new ATOM 914 N PRO A 81 5.024 -2.223 9.378 1.00 0.00 N ATOM 915 CA PRO A 81 3.790 -2.929 9.023 1.00 0.00 C ATOM 916 C PRO A 81 3.094 -2.310 7.816 1.00 0.00 C ATOM 917 O PRO A 81 2.043 -2.783 7.383 1.00 0.00 O ATOM 918 CB PRO A 81 2.923 -2.780 10.276 1.00 0.00 C ATOM 919 CG PRO A 81 3.425 -1.543 10.938 1.00 0.00 C ATOM 920 CD PRO A 81 4.899 -1.486 10.646 1.00 0.00 C ATOM 0 HA PRO A 81 3.980 -3.964 8.740 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.867 -2.691 10.019 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.020 -3.647 10.930 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.916 -0.660 10.552 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.241 -1.573 12.012 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.250 -0.459 10.550 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.484 -1.950 11.440 1.00 0.00 H new ATOM 928 N TYR A 82 3.685 -1.249 7.279 1.00 0.00 N ATOM 929 CA TYR A 82 3.120 -0.562 6.122 1.00 0.00 C ATOM 930 C TYR A 82 4.164 -0.398 5.023 1.00 0.00 C ATOM 931 O TYR A 82 5.362 -0.317 5.295 1.00 0.00 O ATOM 932 CB TYR A 82 2.574 0.806 6.532 1.00 0.00 C ATOM 933 CG TYR A 82 3.617 1.717 7.139 1.00 0.00 C ATOM 934 CD1 TYR A 82 4.571 2.339 6.344 1.00 0.00 C ATOM 935 CD2 TYR A 82 3.649 1.954 8.508 1.00 0.00 C ATOM 936 CE1 TYR A 82 5.527 3.172 6.894 1.00 0.00 C ATOM 937 CE2 TYR A 82 4.599 2.786 9.066 1.00 0.00 C ATOM 938 CZ TYR A 82 5.536 3.393 8.255 1.00 0.00 C ATOM 939 OH TYR A 82 6.485 4.221 8.809 1.00 0.00 O ATOM 0 H TYR A 82 4.555 -0.845 7.626 1.00 0.00 H new ATOM 0 HA TYR A 82 2.303 -1.170 5.733 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.143 1.293 5.657 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.765 0.665 7.249 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.566 2.169 5.278 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.918 1.479 9.146 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.262 3.647 6.262 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.609 2.961 10.132 1.00 0.00 H new ATOM 0 HH TYR A 82 6.351 4.270 9.779 1.00 0.00 H new ATOM 949 N SER A 83 3.700 -0.350 3.777 1.00 0.00 N ATOM 950 CA SER A 83 4.593 -0.197 2.634 1.00 0.00 C ATOM 951 C SER A 83 4.037 0.819 1.642 1.00 0.00 C ATOM 952 O SER A 83 2.916 1.304 1.795 1.00 0.00 O ATOM 953 CB SER A 83 4.801 -1.545 1.940 1.00 0.00 C ATOM 954 OG SER A 83 5.456 -2.465 2.797 1.00 0.00 O ATOM 0 H SER A 83 2.711 -0.415 3.534 1.00 0.00 H new ATOM 0 HA SER A 83 5.553 0.168 3.000 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.838 -1.952 1.633 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.391 -1.404 1.034 1.00 0.00 H new ATOM 0 HG SER A 83 5.701 -2.016 3.633 1.00 0.00 H new ATOM 960 N PHE A 84 4.829 1.135 0.623 1.00 0.00 N ATOM 961 CA PHE A 84 4.417 2.095 -0.395 1.00 0.00 C ATOM 962 C PHE A 84 4.688 1.551 -1.795 1.00 0.00 C ATOM 963 O PHE A 84 5.825 1.228 -2.139 1.00 0.00 O ATOM 964 CB PHE A 84 5.151 3.423 -0.201 1.00 0.00 C ATOM 965 CG PHE A 84 5.084 3.945 1.206 1.00 0.00 C ATOM 966 CD1 PHE A 84 3.973 4.647 1.646 1.00 0.00 C ATOM 967 CD2 PHE A 84 6.131 3.735 2.087 1.00 0.00 C ATOM 968 CE1 PHE A 84 3.907 5.128 2.940 1.00 0.00 C ATOM 969 CE2 PHE A 84 6.072 4.214 3.382 1.00 0.00 C ATOM 970 CZ PHE A 84 4.959 4.912 3.809 1.00 0.00 C ATOM 0 H PHE A 84 5.759 0.741 0.480 1.00 0.00 H new ATOM 0 HA PHE A 84 3.345 2.262 -0.289 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.196 3.296 -0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 84 4.726 4.166 -0.876 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.149 4.820 0.970 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.004 3.191 1.759 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.035 5.672 3.271 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.895 4.043 4.060 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.911 5.288 4.820 1.00 0.00 H new ATOM 980 N ALA A 85 3.634 1.452 -2.599 1.00 0.00 N ATOM 981 CA ALA A 85 3.757 0.951 -3.962 1.00 0.00 C ATOM 982 C ALA A 85 3.556 2.068 -4.979 1.00 0.00 C ATOM 983 O ALA A 85 2.809 3.016 -4.735 1.00 0.00 O ATOM 984 CB ALA A 85 2.758 -0.172 -4.202 1.00 0.00 C ATOM 0 H ALA A 85 2.685 1.712 -2.329 1.00 0.00 H new ATOM 0 HA ALA A 85 4.766 0.559 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.860 -0.538 -5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.952 -0.987 -3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.746 0.203 -4.050 1.00 0.00 H new ATOM 990 N ARG A 86 4.227 1.950 -6.121 1.00 0.00 N ATOM 991 CA ARG A 86 4.123 2.952 -7.175 1.00 0.00 C ATOM 992 C ARG A 86 3.680 2.315 -8.489 1.00 0.00 C ATOM 993 O ARG A 86 4.382 1.473 -9.049 1.00 0.00 O ATOM 994 CB ARG A 86 5.463 3.663 -7.366 1.00 0.00 C ATOM 995 CG ARG A 86 5.329 5.094 -7.861 1.00 0.00 C ATOM 996 CD ARG A 86 6.473 5.965 -7.366 1.00 0.00 C ATOM 997 NE ARG A 86 6.681 7.132 -8.219 1.00 0.00 N ATOM 998 CZ ARG A 86 7.776 7.883 -8.183 1.00 0.00 C ATOM 999 NH1 ARG A 86 8.759 7.588 -7.343 1.00 0.00 N ATOM 1000 NH2 ARG A 86 7.891 8.931 -8.990 1.00 0.00 N ATOM 0 H ARG A 86 4.848 1.171 -6.339 1.00 0.00 H new ATOM 0 HA ARG A 86 3.372 3.683 -6.874 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.002 3.664 -6.419 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.067 3.097 -8.076 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.309 5.103 -8.951 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.380 5.510 -7.522 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.265 6.293 -6.348 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.389 5.375 -7.330 1.00 0.00 H new ATOM 0 HE ARG A 86 5.945 7.384 -8.879 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.675 6.783 -6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.599 8.166 -7.317 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.138 9.160 -9.639 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.732 9.507 -8.961 1.00 0.00 H new ATOM 1014 N TYR A 87 2.514 2.722 -8.975 1.00 0.00 N ATOM 1015 CA TYR A 87 1.976 2.190 -10.222 1.00 0.00 C ATOM 1016 C TYR A 87 2.442 3.020 -11.414 1.00 0.00 C ATOM 1017 O TYR A 87 2.845 4.173 -11.262 1.00 0.00 O ATOM 1018 CB TYR A 87 0.448 2.160 -10.171 1.00 0.00 C ATOM 1019 CG TYR A 87 -0.111 0.983 -9.404 1.00 0.00 C ATOM 1020 CD1 TYR A 87 -0.137 0.983 -8.015 1.00 0.00 C ATOM 1021 CD2 TYR A 87 -0.611 -0.129 -10.069 1.00 0.00 C ATOM 1022 CE1 TYR A 87 -0.645 -0.091 -7.310 1.00 0.00 C ATOM 1023 CE2 TYR A 87 -1.123 -1.208 -9.372 1.00 0.00 C ATOM 1024 CZ TYR A 87 -1.138 -1.183 -7.993 1.00 0.00 C ATOM 1025 OH TYR A 87 -1.645 -2.256 -7.296 1.00 0.00 O ATOM 0 H TYR A 87 1.922 3.420 -8.524 1.00 0.00 H new ATOM 0 HA TYR A 87 2.348 1.173 -10.344 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.090 3.083 -9.715 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.060 2.137 -11.189 1.00 0.00 H new ATOM 0 HD1 TYR A 87 0.247 1.837 -7.477 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.600 -0.151 -11.149 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.656 -0.076 -6.230 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.509 -2.065 -9.904 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.952 -2.940 -7.927 1.00 0.00 H new ATOM 1035 N ARG A 88 2.381 2.424 -12.600 1.00 0.00 N ATOM 1036 CA ARG A 88 2.796 3.107 -13.820 1.00 0.00 C ATOM 1037 C ARG A 88 1.773 4.163 -14.227 1.00 0.00 C ATOM 1038 O ARG A 88 2.132 5.247 -14.686 1.00 0.00 O ATOM 1039 CB ARG A 88 2.985 2.098 -14.956 1.00 0.00 C ATOM 1040 CG ARG A 88 3.658 2.685 -16.184 1.00 0.00 C ATOM 1041 CD ARG A 88 2.650 3.343 -17.113 1.00 0.00 C ATOM 1042 NE ARG A 88 3.288 3.929 -18.288 1.00 0.00 N ATOM 1043 CZ ARG A 88 2.648 4.175 -19.426 1.00 0.00 C ATOM 1044 NH1 ARG A 88 1.358 3.889 -19.540 1.00 0.00 N ATOM 1045 NH2 ARG A 88 3.297 4.710 -20.452 1.00 0.00 N ATOM 0 H ARG A 88 2.049 1.470 -12.742 1.00 0.00 H new ATOM 0 HA ARG A 88 3.746 3.604 -13.623 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.580 1.260 -14.592 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.012 1.698 -15.241 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.403 3.419 -15.876 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.188 1.898 -16.720 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.914 2.604 -17.431 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.109 4.118 -16.570 1.00 0.00 H new ATOM 0 HE ARG A 88 4.279 4.162 -18.232 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.855 3.479 -18.753 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.869 4.079 -20.415 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.289 4.933 -20.368 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.804 4.898 -21.325 1.00 0.00 H new ATOM 1059 N THR A 89 0.495 3.837 -14.057 1.00 0.00 N ATOM 1060 CA THR A 89 -0.581 4.755 -14.409 1.00 0.00 C ATOM 1061 C THR A 89 -1.591 4.878 -13.274 1.00 0.00 C ATOM 1062 O THR A 89 -1.941 3.888 -12.629 1.00 0.00 O ATOM 1063 CB THR A 89 -1.313 4.301 -15.686 1.00 0.00 C ATOM 1064 OG1 THR A 89 -2.200 3.219 -15.383 1.00 0.00 O ATOM 1065 CG2 THR A 89 -0.319 3.866 -16.752 1.00 0.00 C ATOM 0 H THR A 89 0.180 2.944 -13.678 1.00 0.00 H new ATOM 0 HA THR A 89 -0.121 5.726 -14.590 1.00 0.00 H new ATOM 0 HB THR A 89 -1.888 5.144 -16.070 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.663 2.937 -16.199 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.858 3.550 -17.645 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.336 4.701 -17.001 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.278 3.036 -16.375 1.00 0.00 H new ATOM 1073 N THR A 90 -2.060 6.099 -13.034 1.00 0.00 N ATOM 1074 CA THR A 90 -3.030 6.351 -11.977 1.00 0.00 C ATOM 1075 C THR A 90 -4.156 5.323 -12.007 1.00 0.00 C ATOM 1076 O THR A 90 -4.435 4.666 -11.005 1.00 0.00 O ATOM 1077 CB THR A 90 -3.636 7.763 -12.095 1.00 0.00 C ATOM 1078 OG1 THR A 90 -2.631 8.694 -12.505 1.00 0.00 O ATOM 1079 CG2 THR A 90 -4.235 8.207 -10.769 1.00 0.00 C ATOM 0 H THR A 90 -1.783 6.929 -13.558 1.00 0.00 H new ATOM 0 HA THR A 90 -2.494 6.271 -11.031 1.00 0.00 H new ATOM 0 HB THR A 90 -4.429 7.733 -12.842 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.024 9.588 -12.579 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.657 9.206 -10.877 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.021 7.512 -10.474 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.457 8.222 -10.005 1.00 0.00 H new ATOM 1087 N GLU A 91 -4.798 5.189 -13.163 1.00 0.00 N ATOM 1088 CA GLU A 91 -5.893 4.240 -13.323 1.00 0.00 C ATOM 1089 C GLU A 91 -5.602 2.942 -12.576 1.00 0.00 C ATOM 1090 O GLU A 91 -6.372 2.525 -11.711 1.00 0.00 O ATOM 1091 CB GLU A 91 -6.132 3.946 -14.805 1.00 0.00 C ATOM 1092 CG GLU A 91 -6.414 5.188 -15.635 1.00 0.00 C ATOM 1093 CD GLU A 91 -7.702 5.879 -15.231 1.00 0.00 C ATOM 1094 OE1 GLU A 91 -7.714 6.536 -14.169 1.00 0.00 O ATOM 1095 OE2 GLU A 91 -8.697 5.764 -15.976 1.00 0.00 O ATOM 0 H GLU A 91 -4.579 5.726 -14.002 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.792 4.689 -12.900 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.257 3.439 -15.212 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.972 3.258 -14.899 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.583 5.886 -15.531 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.469 4.912 -16.688 1.00 0.00 H new ATOM 1102 N GLU A 92 -4.485 2.307 -12.919 1.00 0.00 N ATOM 1103 CA GLU A 92 -4.093 1.056 -12.282 1.00 0.00 C ATOM 1104 C GLU A 92 -4.097 1.193 -10.762 1.00 0.00 C ATOM 1105 O GLU A 92 -4.779 0.444 -10.063 1.00 0.00 O ATOM 1106 CB GLU A 92 -2.704 0.627 -12.761 1.00 0.00 C ATOM 1107 CG GLU A 92 -2.634 0.347 -14.253 1.00 0.00 C ATOM 1108 CD GLU A 92 -3.016 -1.080 -14.597 1.00 0.00 C ATOM 1109 OE1 GLU A 92 -4.164 -1.473 -14.306 1.00 0.00 O ATOM 1110 OE2 GLU A 92 -2.165 -1.803 -15.156 1.00 0.00 O ATOM 0 H GLU A 92 -3.837 2.638 -13.634 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.819 0.293 -12.563 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.986 1.408 -12.512 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.402 -0.268 -12.217 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.297 1.034 -14.779 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.623 0.544 -14.609 1.00 0.00 H new ATOM 1117 N SER A 93 -3.332 2.157 -10.259 1.00 0.00 N ATOM 1118 CA SER A 93 -3.244 2.390 -8.822 1.00 0.00 C ATOM 1119 C SER A 93 -4.631 2.384 -8.184 1.00 0.00 C ATOM 1120 O SER A 93 -4.911 1.591 -7.285 1.00 0.00 O ATOM 1121 CB SER A 93 -2.547 3.724 -8.543 1.00 0.00 C ATOM 1122 OG SER A 93 -2.935 4.246 -7.284 1.00 0.00 O ATOM 0 H SER A 93 -2.765 2.789 -10.825 1.00 0.00 H new ATOM 0 HA SER A 93 -2.658 1.583 -8.383 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.466 3.585 -8.566 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.793 4.438 -9.328 1.00 0.00 H new ATOM 0 HG SER A 93 -2.372 5.017 -7.062 1.00 0.00 H new ATOM 1128 N LYS A 94 -5.496 3.275 -8.658 1.00 0.00 N ATOM 1129 CA LYS A 94 -6.854 3.374 -8.138 1.00 0.00 C ATOM 1130 C LYS A 94 -7.534 2.009 -8.128 1.00 0.00 C ATOM 1131 O LYS A 94 -8.095 1.592 -7.115 1.00 0.00 O ATOM 1132 CB LYS A 94 -7.673 4.358 -8.975 1.00 0.00 C ATOM 1133 CG LYS A 94 -7.137 5.779 -8.943 1.00 0.00 C ATOM 1134 CD LYS A 94 -7.428 6.515 -10.241 1.00 0.00 C ATOM 1135 CE LYS A 94 -8.923 6.615 -10.500 1.00 0.00 C ATOM 1136 NZ LYS A 94 -9.423 5.474 -11.314 1.00 0.00 N ATOM 0 H LYS A 94 -5.280 3.939 -9.402 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.797 3.739 -7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.697 4.011 -10.008 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.702 4.359 -8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.585 6.319 -8.109 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.061 5.759 -8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.997 7.515 -10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.948 5.996 -11.071 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.455 6.643 -9.549 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.140 7.551 -11.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.082 5.826 -12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.621 5.001 -11.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.915 4.797 -10.697 1.00 0.00 H new ATOM 1150 N ARG A 95 -7.479 1.317 -9.262 1.00 0.00 N ATOM 1151 CA ARG A 95 -8.089 -0.001 -9.383 1.00 0.00 C ATOM 1152 C ARG A 95 -7.697 -0.892 -8.209 1.00 0.00 C ATOM 1153 O ARG A 95 -8.544 -1.551 -7.607 1.00 0.00 O ATOM 1154 CB ARG A 95 -7.672 -0.660 -10.699 1.00 0.00 C ATOM 1155 CG ARG A 95 -7.937 -2.156 -10.742 1.00 0.00 C ATOM 1156 CD ARG A 95 -7.188 -2.822 -11.886 1.00 0.00 C ATOM 1157 NE ARG A 95 -7.490 -4.248 -11.981 1.00 0.00 N ATOM 1158 CZ ARG A 95 -7.295 -4.969 -13.079 1.00 0.00 C ATOM 1159 NH1 ARG A 95 -6.801 -4.400 -14.170 1.00 0.00 N ATOM 1160 NH2 ARG A 95 -7.595 -6.261 -13.089 1.00 0.00 N ATOM 0 H ARG A 95 -7.018 1.648 -10.110 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.172 0.125 -9.374 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.206 -0.181 -11.520 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.609 -0.483 -10.863 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.635 -2.607 -9.797 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.007 -2.334 -10.853 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -7.450 -2.333 -12.824 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.116 -2.687 -11.744 1.00 0.00 H new ATOM 0 HE ARG A 95 -7.872 -4.716 -11.159 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.570 -3.407 -14.167 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.652 -4.956 -15.012 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -7.976 -6.703 -12.252 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -7.444 -6.813 -13.933 1.00 0.00 H new ATOM 1174 N ALA A 96 -6.407 -0.907 -7.889 1.00 0.00 N ATOM 1175 CA ALA A 96 -5.903 -1.716 -6.786 1.00 0.00 C ATOM 1176 C ALA A 96 -6.339 -1.145 -5.442 1.00 0.00 C ATOM 1177 O ALA A 96 -6.571 -1.887 -4.487 1.00 0.00 O ATOM 1178 CB ALA A 96 -4.385 -1.812 -6.853 1.00 0.00 C ATOM 0 H ALA A 96 -5.692 -0.368 -8.378 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.325 -2.717 -6.880 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.022 -2.419 -6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.091 -2.273 -7.796 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.954 -0.813 -6.788 1.00 0.00 H new ATOM 1184 N TYR A 97 -6.451 0.176 -5.374 1.00 0.00 N ATOM 1185 CA TYR A 97 -6.858 0.848 -4.145 1.00 0.00 C ATOM 1186 C TYR A 97 -8.299 0.497 -3.784 1.00 0.00 C ATOM 1187 O TYR A 97 -8.627 0.299 -2.615 1.00 0.00 O ATOM 1188 CB TYR A 97 -6.712 2.363 -4.293 1.00 0.00 C ATOM 1189 CG TYR A 97 -7.530 3.151 -3.297 1.00 0.00 C ATOM 1190 CD1 TYR A 97 -7.081 3.345 -1.996 1.00 0.00 C ATOM 1191 CD2 TYR A 97 -8.755 3.703 -3.655 1.00 0.00 C ATOM 1192 CE1 TYR A 97 -7.827 4.063 -1.083 1.00 0.00 C ATOM 1193 CE2 TYR A 97 -9.506 4.424 -2.748 1.00 0.00 C ATOM 1194 CZ TYR A 97 -9.038 4.601 -1.462 1.00 0.00 C ATOM 1195 OH TYR A 97 -9.783 5.319 -0.555 1.00 0.00 O ATOM 0 H TYR A 97 -6.266 0.804 -6.156 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.207 0.505 -3.341 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.661 2.631 -4.180 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.008 2.651 -5.302 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.132 2.927 -1.694 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.126 3.565 -4.660 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.463 4.203 -0.076 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.455 4.847 -3.044 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.608 5.630 -0.983 1.00 0.00 H new ATOM 1205 N VAL A 98 -9.153 0.422 -4.799 1.00 0.00 N ATOM 1206 CA VAL A 98 -10.559 0.095 -4.590 1.00 0.00 C ATOM 1207 C VAL A 98 -10.789 -1.411 -4.665 1.00 0.00 C ATOM 1208 O VAL A 98 -11.820 -1.917 -4.220 1.00 0.00 O ATOM 1209 CB VAL A 98 -11.458 0.792 -5.629 1.00 0.00 C ATOM 1210 CG1 VAL A 98 -12.914 0.743 -5.193 1.00 0.00 C ATOM 1211 CG2 VAL A 98 -11.005 2.228 -5.846 1.00 0.00 C ATOM 0 H VAL A 98 -8.897 0.583 -5.773 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.823 0.452 -3.594 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.370 0.260 -6.576 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.534 1.240 -5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.229 -0.296 -5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.024 1.249 -4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.651 2.706 -6.583 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.063 2.774 -4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.976 2.234 -6.207 1.00 0.00 H new ATOM 1221 N THR A 99 -9.820 -2.125 -5.231 1.00 0.00 N ATOM 1222 CA THR A 99 -9.916 -3.573 -5.365 1.00 0.00 C ATOM 1223 C THR A 99 -9.174 -4.280 -4.236 1.00 0.00 C ATOM 1224 O THR A 99 -9.770 -5.031 -3.463 1.00 0.00 O ATOM 1225 CB THR A 99 -9.351 -4.051 -6.715 1.00 0.00 C ATOM 1226 OG1 THR A 99 -10.181 -3.588 -7.786 1.00 0.00 O ATOM 1227 CG2 THR A 99 -9.259 -5.569 -6.757 1.00 0.00 C ATOM 0 H THR A 99 -8.960 -1.723 -5.604 1.00 0.00 H new ATOM 0 HA THR A 99 -10.975 -3.826 -5.314 1.00 0.00 H new ATOM 0 HB THR A 99 -8.348 -3.639 -6.830 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.865 -2.712 -8.090 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.857 -5.883 -7.720 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.602 -5.916 -5.959 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.252 -5.998 -6.621 1.00 0.00 H new ATOM 1235 N LEU A 100 -7.872 -4.034 -4.146 1.00 0.00 N ATOM 1236 CA LEU A 100 -7.048 -4.647 -3.111 1.00 0.00 C ATOM 1237 C LEU A 100 -7.544 -4.262 -1.721 1.00 0.00 C ATOM 1238 O LEU A 100 -7.801 -5.124 -0.882 1.00 0.00 O ATOM 1239 CB LEU A 100 -5.586 -4.226 -3.278 1.00 0.00 C ATOM 1240 CG LEU A 100 -4.980 -4.442 -4.666 1.00 0.00 C ATOM 1241 CD1 LEU A 100 -3.493 -4.126 -4.653 1.00 0.00 C ATOM 1242 CD2 LEU A 100 -5.219 -5.870 -5.135 1.00 0.00 C ATOM 0 H LEU A 100 -7.364 -3.414 -4.777 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.122 -5.729 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.502 -3.169 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.986 -4.774 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.469 -3.764 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.078 -4.285 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.344 -3.087 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.988 -4.779 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.781 -6.006 -6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.756 -6.565 -4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.291 -6.063 -5.183 1.00 0.00 H new ATOM 1254 N ASN A 101 -7.677 -2.961 -1.485 1.00 0.00 N ATOM 1255 CA ASN A 101 -8.144 -2.461 -0.198 1.00 0.00 C ATOM 1256 C ASN A 101 -9.344 -3.265 0.295 1.00 0.00 C ATOM 1257 O ASN A 101 -10.345 -3.399 -0.407 1.00 0.00 O ATOM 1258 CB ASN A 101 -8.518 -0.982 -0.306 1.00 0.00 C ATOM 1259 CG ASN A 101 -8.815 -0.360 1.045 1.00 0.00 C ATOM 1260 OD1 ASN A 101 -9.344 -1.017 1.940 1.00 0.00 O ATOM 1261 ND2 ASN A 101 -8.472 0.915 1.198 1.00 0.00 N ATOM 0 H ASN A 101 -7.468 -2.234 -2.169 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.333 -2.572 0.522 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.702 -0.438 -0.782 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.390 -0.877 -0.951 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.646 1.387 2.085 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -8.035 1.422 0.428 1.00 0.00 H new ATOM 1268 N GLY A 102 -9.235 -3.798 1.508 1.00 0.00 N ATOM 1269 CA GLY A 102 -10.317 -4.582 2.075 1.00 0.00 C ATOM 1270 C GLY A 102 -10.163 -6.065 1.804 1.00 0.00 C ATOM 1271 O GLY A 102 -10.586 -6.899 2.605 1.00 0.00 O ATOM 0 H GLY A 102 -8.416 -3.701 2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.357 -4.415 3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.266 -4.237 1.663 1.00 0.00 H new ATOM 1275 N LYS A 103 -9.556 -6.397 0.669 1.00 0.00 N ATOM 1276 CA LYS A 103 -9.346 -7.790 0.292 1.00 0.00 C ATOM 1277 C LYS A 103 -8.440 -8.495 1.297 1.00 0.00 C ATOM 1278 O LYS A 103 -7.647 -7.855 1.987 1.00 0.00 O ATOM 1279 CB LYS A 103 -8.736 -7.875 -1.109 1.00 0.00 C ATOM 1280 CG LYS A 103 -8.459 -9.297 -1.566 1.00 0.00 C ATOM 1281 CD LYS A 103 -7.849 -9.326 -2.958 1.00 0.00 C ATOM 1282 CE LYS A 103 -7.219 -10.675 -3.262 1.00 0.00 C ATOM 1283 NZ LYS A 103 -7.224 -10.974 -4.721 1.00 0.00 N ATOM 0 H LYS A 103 -9.201 -5.720 -0.006 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.315 -8.290 0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.411 -7.399 -1.820 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.805 -7.309 -1.126 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.783 -9.782 -0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.387 -9.869 -1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.619 -9.108 -3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.095 -8.544 -3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.194 -10.688 -2.892 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.760 -11.457 -2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.786 -11.903 -4.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.204 -10.986 -5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.686 -10.242 -5.227 1.00 0.00 H new ATOM 1297 N GLU A 104 -8.562 -9.817 1.372 1.00 0.00 N ATOM 1298 CA GLU A 104 -7.751 -10.607 2.291 1.00 0.00 C ATOM 1299 C GLU A 104 -6.618 -11.312 1.551 1.00 0.00 C ATOM 1300 O GLU A 104 -6.813 -11.845 0.458 1.00 0.00 O ATOM 1301 CB GLU A 104 -8.620 -11.638 3.014 1.00 0.00 C ATOM 1302 CG GLU A 104 -9.517 -11.035 4.083 1.00 0.00 C ATOM 1303 CD GLU A 104 -10.709 -10.301 3.499 1.00 0.00 C ATOM 1304 OE1 GLU A 104 -11.435 -10.906 2.682 1.00 0.00 O ATOM 1305 OE2 GLU A 104 -10.915 -9.124 3.859 1.00 0.00 O ATOM 0 H GLU A 104 -9.214 -10.363 0.808 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.315 -9.929 3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.239 -12.156 2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.975 -12.387 3.473 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.871 -11.826 4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.934 -10.346 4.694 1.00 0.00 H new ATOM 1312 N VAL A 105 -5.433 -11.307 2.152 1.00 0.00 N ATOM 1313 CA VAL A 105 -4.268 -11.945 1.552 1.00 0.00 C ATOM 1314 C VAL A 105 -3.603 -12.907 2.530 1.00 0.00 C ATOM 1315 O VAL A 105 -3.334 -12.555 3.678 1.00 0.00 O ATOM 1316 CB VAL A 105 -3.232 -10.902 1.091 1.00 0.00 C ATOM 1317 CG1 VAL A 105 -3.894 -9.838 0.227 1.00 0.00 C ATOM 1318 CG2 VAL A 105 -2.540 -10.274 2.290 1.00 0.00 C ATOM 0 H VAL A 105 -5.254 -10.868 3.055 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.624 -12.501 0.685 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.477 -11.406 0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.147 -9.110 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.338 -10.307 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.671 -9.334 0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.811 -9.540 1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.280 -9.783 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.031 -11.049 2.863 1.00 0.00 H new ATOM 1328 N VAL A 106 -3.340 -14.126 2.066 1.00 0.00 N ATOM 1329 CA VAL A 106 -2.705 -15.139 2.899 1.00 0.00 C ATOM 1330 C VAL A 106 -1.232 -14.821 3.126 1.00 0.00 C ATOM 1331 O VAL A 106 -0.406 -14.980 2.226 1.00 0.00 O ATOM 1332 CB VAL A 106 -2.825 -16.540 2.269 1.00 0.00 C ATOM 1333 CG1 VAL A 106 -1.820 -17.495 2.894 1.00 0.00 C ATOM 1334 CG2 VAL A 106 -4.242 -17.072 2.419 1.00 0.00 C ATOM 0 H VAL A 106 -3.557 -14.434 1.118 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.226 -15.133 3.856 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.602 -16.461 1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.920 -18.479 2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.810 -17.119 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.009 -17.572 3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.308 -18.062 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.496 -17.137 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.938 -16.399 1.919 1.00 0.00 H new ATOM 1344 N ASP A 107 -0.908 -14.369 4.333 1.00 0.00 N ATOM 1345 CA ASP A 107 0.467 -14.029 4.679 1.00 0.00 C ATOM 1346 C ASP A 107 1.357 -15.268 4.650 1.00 0.00 C ATOM 1347 O ASP A 107 0.898 -16.367 4.341 1.00 0.00 O ATOM 1348 CB ASP A 107 0.521 -13.379 6.062 1.00 0.00 C ATOM 1349 CG ASP A 107 0.298 -14.378 7.181 1.00 0.00 C ATOM 1350 OD1 ASP A 107 -0.851 -14.839 7.343 1.00 0.00 O ATOM 1351 OD2 ASP A 107 1.272 -14.699 7.894 1.00 0.00 O ATOM 0 H ASP A 107 -1.579 -14.230 5.088 1.00 0.00 H new ATOM 0 HA ASP A 107 0.838 -13.320 3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.490 -12.898 6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.235 -12.596 6.122 1.00 0.00 H new ATOM 1356 N ASP A 108 2.632 -15.081 4.973 1.00 0.00 N ATOM 1357 CA ASP A 108 3.587 -16.184 4.984 1.00 0.00 C ATOM 1358 C ASP A 108 3.160 -17.262 5.974 1.00 0.00 C ATOM 1359 O ASP A 108 3.303 -18.457 5.707 1.00 0.00 O ATOM 1360 CB ASP A 108 4.984 -15.672 5.339 1.00 0.00 C ATOM 1361 CG ASP A 108 6.081 -16.589 4.835 1.00 0.00 C ATOM 1362 OD1 ASP A 108 6.176 -16.782 3.604 1.00 0.00 O ATOM 1363 OD2 ASP A 108 6.845 -17.114 5.671 1.00 0.00 O ATOM 0 H ASP A 108 3.028 -14.177 5.231 1.00 0.00 H new ATOM 0 HA ASP A 108 3.611 -16.622 3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.122 -14.677 4.915 1.00 0.00 H new ATOM 0 HB3 ASP A 108 5.067 -15.571 6.421 1.00 0.00 H new ATOM 1368 N LEU A 109 2.637 -16.835 7.118 1.00 0.00 N ATOM 1369 CA LEU A 109 2.190 -17.764 8.149 1.00 0.00 C ATOM 1370 C LEU A 109 1.023 -18.611 7.651 1.00 0.00 C ATOM 1371 O LEU A 109 0.752 -19.686 8.184 1.00 0.00 O ATOM 1372 CB LEU A 109 1.778 -16.999 9.408 1.00 0.00 C ATOM 1373 CG LEU A 109 2.773 -15.956 9.916 1.00 0.00 C ATOM 1374 CD1 LEU A 109 2.148 -15.110 11.014 1.00 0.00 C ATOM 1375 CD2 LEU A 109 4.043 -16.629 10.417 1.00 0.00 C ATOM 0 H LEU A 109 2.512 -15.851 7.355 1.00 0.00 H new ATOM 0 HA LEU A 109 3.020 -18.428 8.389 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.829 -16.501 9.212 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.600 -17.721 10.205 1.00 0.00 H new ATOM 0 HG LEU A 109 3.036 -15.300 9.086 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.872 -14.373 11.363 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.269 -14.598 10.623 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.854 -15.751 11.845 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.740 -15.871 10.775 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.797 -17.309 11.232 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.503 -17.189 9.603 1.00 0.00 H new ATOM 1387 N GLY A 110 0.339 -18.120 6.622 1.00 0.00 N ATOM 1388 CA GLY A 110 -0.789 -18.846 6.066 1.00 0.00 C ATOM 1389 C GLY A 110 -2.118 -18.344 6.594 1.00 0.00 C ATOM 1390 O GLY A 110 -3.123 -19.050 6.534 1.00 0.00 O ATOM 0 H GLY A 110 0.546 -17.233 6.163 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.776 -18.756 4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.686 -19.906 6.299 1.00 0.00 H new ATOM 1394 N GLN A 111 -2.122 -17.120 7.114 1.00 0.00 N ATOM 1395 CA GLN A 111 -3.338 -16.526 7.657 1.00 0.00 C ATOM 1396 C GLN A 111 -3.852 -15.414 6.748 1.00 0.00 C ATOM 1397 O GLN A 111 -3.071 -14.696 6.124 1.00 0.00 O ATOM 1398 CB GLN A 111 -3.079 -15.975 9.060 1.00 0.00 C ATOM 1399 CG GLN A 111 -2.682 -17.042 10.068 1.00 0.00 C ATOM 1400 CD GLN A 111 -3.089 -16.686 11.485 1.00 0.00 C ATOM 1401 OE1 GLN A 111 -4.146 -17.100 11.962 1.00 0.00 O ATOM 1402 NE2 GLN A 111 -2.250 -15.914 12.166 1.00 0.00 N ATOM 0 H GLN A 111 -1.298 -16.522 7.171 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.099 -17.304 7.715 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.290 -15.225 9.007 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -3.977 -15.468 9.414 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -3.143 -17.990 9.789 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -1.603 -17.189 10.030 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -1.385 -15.594 11.731 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -2.471 -15.641 13.124 1.00 0.00 H new ATOM 1411 N LYS A 112 -5.172 -15.276 6.679 1.00 0.00 N ATOM 1412 CA LYS A 112 -5.792 -14.251 5.848 1.00 0.00 C ATOM 1413 C LYS A 112 -5.779 -12.899 6.552 1.00 0.00 C ATOM 1414 O LYS A 112 -6.481 -12.697 7.543 1.00 0.00 O ATOM 1415 CB LYS A 112 -7.230 -14.646 5.504 1.00 0.00 C ATOM 1416 CG LYS A 112 -7.339 -15.972 4.773 1.00 0.00 C ATOM 1417 CD LYS A 112 -7.268 -15.786 3.266 1.00 0.00 C ATOM 1418 CE LYS A 112 -8.568 -15.223 2.713 1.00 0.00 C ATOM 1419 NZ LYS A 112 -8.585 -15.231 1.223 1.00 0.00 N ATOM 0 H LYS A 112 -5.833 -15.862 7.189 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.215 -14.166 4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.813 -14.699 6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.675 -13.864 4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -6.536 -16.634 5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.279 -16.458 5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.445 -15.115 3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.053 -16.743 2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.407 -15.809 3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.705 -14.203 3.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.487 -14.840 0.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.800 -14.652 0.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.480 -16.207 0.880 1.00 0.00 H new ATOM 1433 N ILE A 113 -4.979 -11.974 6.032 1.00 0.00 N ATOM 1434 CA ILE A 113 -4.877 -10.639 6.610 1.00 0.00 C ATOM 1435 C ILE A 113 -5.589 -9.609 5.742 1.00 0.00 C ATOM 1436 O ILE A 113 -5.625 -9.730 4.516 1.00 0.00 O ATOM 1437 CB ILE A 113 -3.407 -10.215 6.792 1.00 0.00 C ATOM 1438 CG1 ILE A 113 -2.627 -11.303 7.532 1.00 0.00 C ATOM 1439 CG2 ILE A 113 -3.327 -8.894 7.541 1.00 0.00 C ATOM 1440 CD1 ILE A 113 -1.238 -10.874 7.947 1.00 0.00 C ATOM 0 H ILE A 113 -4.392 -12.124 5.212 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.358 -10.680 7.587 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.958 -10.080 5.808 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.187 -11.601 8.419 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.551 -12.183 6.893 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.282 -8.607 7.662 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.852 -8.123 6.977 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.789 -9.003 8.522 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.744 -11.695 8.466 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.661 -10.604 7.062 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.307 -10.013 8.612 1.00 0.00 H new ATOM 1452 N THR A 114 -6.155 -8.591 6.383 1.00 0.00 N ATOM 1453 CA THR A 114 -6.866 -7.538 5.670 1.00 0.00 C ATOM 1454 C THR A 114 -5.991 -6.300 5.503 1.00 0.00 C ATOM 1455 O THR A 114 -5.749 -5.565 6.461 1.00 0.00 O ATOM 1456 CB THR A 114 -8.163 -7.141 6.400 1.00 0.00 C ATOM 1457 OG1 THR A 114 -8.825 -8.312 6.892 1.00 0.00 O ATOM 1458 CG2 THR A 114 -9.095 -6.378 5.471 1.00 0.00 C ATOM 0 H THR A 114 -6.134 -8.474 7.396 1.00 0.00 H new ATOM 0 HA THR A 114 -7.119 -7.937 4.688 1.00 0.00 H new ATOM 0 HB THR A 114 -7.900 -6.493 7.237 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.648 -8.052 7.356 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.004 -6.108 6.009 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.599 -5.473 5.121 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.351 -7.005 4.617 1.00 0.00 H new ATOM 1466 N LEU A 115 -5.521 -6.074 4.281 1.00 0.00 N ATOM 1467 CA LEU A 115 -4.673 -4.923 3.989 1.00 0.00 C ATOM 1468 C LEU A 115 -5.497 -3.769 3.428 1.00 0.00 C ATOM 1469 O LEU A 115 -6.373 -3.968 2.586 1.00 0.00 O ATOM 1470 CB LEU A 115 -3.577 -5.313 2.995 1.00 0.00 C ATOM 1471 CG LEU A 115 -2.905 -6.664 3.233 1.00 0.00 C ATOM 1472 CD1 LEU A 115 -1.834 -6.920 2.183 1.00 0.00 C ATOM 1473 CD2 LEU A 115 -2.309 -6.725 4.631 1.00 0.00 C ATOM 0 H LEU A 115 -5.712 -6.672 3.477 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.211 -4.596 4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.007 -5.315 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.809 -4.540 3.010 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.662 -7.444 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.366 -7.887 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.289 -6.921 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.079 -6.136 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.835 -7.695 4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.566 -5.936 4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.099 -6.588 5.370 1.00 0.00 H new ATOM 1485 N TYR A 116 -5.210 -2.560 3.900 1.00 0.00 N ATOM 1486 CA TYR A 116 -5.925 -1.372 3.447 1.00 0.00 C ATOM 1487 C TYR A 116 -4.999 -0.444 2.667 1.00 0.00 C ATOM 1488 O TYR A 116 -3.964 -0.011 3.174 1.00 0.00 O ATOM 1489 CB TYR A 116 -6.526 -0.628 4.639 1.00 0.00 C ATOM 1490 CG TYR A 116 -7.819 -1.232 5.142 1.00 0.00 C ATOM 1491 CD1 TYR A 116 -7.813 -2.366 5.945 1.00 0.00 C ATOM 1492 CD2 TYR A 116 -9.046 -0.667 4.814 1.00 0.00 C ATOM 1493 CE1 TYR A 116 -8.990 -2.922 6.405 1.00 0.00 C ATOM 1494 CE2 TYR A 116 -10.228 -1.215 5.271 1.00 0.00 C ATOM 1495 CZ TYR A 116 -10.196 -2.342 6.066 1.00 0.00 C ATOM 1496 OH TYR A 116 -11.371 -2.892 6.524 1.00 0.00 O ATOM 0 H TYR A 116 -4.487 -2.377 4.596 1.00 0.00 H new ATOM 0 HA TYR A 116 -6.729 -1.693 2.785 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.800 -0.616 5.452 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.705 0.409 4.356 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.871 -2.820 6.214 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.075 0.215 4.191 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.967 -3.805 7.026 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.173 -0.764 5.007 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.129 -2.364 6.197 1.00 0.00 H new ATOM 1506 N LEU A 117 -5.378 -0.143 1.430 1.00 0.00 N ATOM 1507 CA LEU A 117 -4.584 0.735 0.579 1.00 0.00 C ATOM 1508 C LEU A 117 -5.118 2.163 0.620 1.00 0.00 C ATOM 1509 O LEU A 117 -6.310 2.396 0.426 1.00 0.00 O ATOM 1510 CB LEU A 117 -4.585 0.219 -0.862 1.00 0.00 C ATOM 1511 CG LEU A 117 -3.681 -0.981 -1.145 1.00 0.00 C ATOM 1512 CD1 LEU A 117 -4.316 -2.262 -0.627 1.00 0.00 C ATOM 1513 CD2 LEU A 117 -3.393 -1.091 -2.636 1.00 0.00 C ATOM 0 H LEU A 117 -6.231 -0.494 0.994 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.562 0.738 0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.607 -0.050 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.288 1.036 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.736 -0.832 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.658 -3.105 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.471 -2.182 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.275 -2.418 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.748 -1.950 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.330 -1.217 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.895 -0.184 -2.978 1.00 0.00 H new ATOM 1525 N ASN A 118 -4.227 3.116 0.871 1.00 0.00 N ATOM 1526 CA ASN A 118 -4.608 4.522 0.935 1.00 0.00 C ATOM 1527 C ASN A 118 -3.841 5.342 -0.098 1.00 0.00 C ATOM 1528 O ASN A 118 -2.667 5.084 -0.363 1.00 0.00 O ATOM 1529 CB ASN A 118 -4.351 5.078 2.337 1.00 0.00 C ATOM 1530 CG ASN A 118 -5.548 4.916 3.253 1.00 0.00 C ATOM 1531 OD1 ASN A 118 -5.460 4.279 4.303 1.00 0.00 O ATOM 1532 ND2 ASN A 118 -6.677 5.492 2.858 1.00 0.00 N ATOM 0 H ASN A 118 -3.235 2.940 1.034 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.672 4.594 0.712 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.491 4.570 2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.094 6.135 2.264 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -7.516 5.416 3.432 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -6.705 6.011 1.980 1.00 0.00 H new ATOM 1539 N PHE A 119 -4.514 6.332 -0.677 1.00 0.00 N ATOM 1540 CA PHE A 119 -3.896 7.189 -1.682 1.00 0.00 C ATOM 1541 C PHE A 119 -2.884 8.135 -1.041 1.00 0.00 C ATOM 1542 O PHE A 119 -3.202 8.855 -0.095 1.00 0.00 O ATOM 1543 CB PHE A 119 -4.965 7.995 -2.422 1.00 0.00 C ATOM 1544 CG PHE A 119 -5.745 7.184 -3.417 1.00 0.00 C ATOM 1545 CD1 PHE A 119 -5.103 6.539 -4.462 1.00 0.00 C ATOM 1546 CD2 PHE A 119 -7.122 7.065 -3.307 1.00 0.00 C ATOM 1547 CE1 PHE A 119 -5.818 5.791 -5.378 1.00 0.00 C ATOM 1548 CE2 PHE A 119 -7.842 6.318 -4.220 1.00 0.00 C ATOM 1549 CZ PHE A 119 -7.189 5.682 -5.257 1.00 0.00 C ATOM 0 H PHE A 119 -5.486 6.560 -0.468 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.372 6.552 -2.395 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.654 8.423 -1.694 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.488 8.828 -2.938 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.031 6.622 -4.562 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -7.638 7.562 -2.499 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.305 5.292 -6.187 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -8.914 6.232 -4.122 1.00 0.00 H new ATOM 0 HZ PHE A 119 -7.750 5.100 -5.973 1.00 0.00 H new ATOM 1559 N VAL A 120 -1.662 8.126 -1.564 1.00 0.00 N ATOM 1560 CA VAL A 120 -0.601 8.982 -1.045 1.00 0.00 C ATOM 1561 C VAL A 120 0.105 9.726 -2.172 1.00 0.00 C ATOM 1562 O VAL A 120 -0.024 9.368 -3.342 1.00 0.00 O ATOM 1563 CB VAL A 120 0.438 8.169 -0.251 1.00 0.00 C ATOM 1564 CG1 VAL A 120 -0.195 7.559 0.990 1.00 0.00 C ATOM 1565 CG2 VAL A 120 1.056 7.092 -1.130 1.00 0.00 C ATOM 0 H VAL A 120 -1.382 7.535 -2.347 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.074 9.703 -0.378 1.00 0.00 H new ATOM 0 HB VAL A 120 1.232 8.843 0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.555 6.988 1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.584 8.353 1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.010 6.898 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 120 1.788 6.527 -0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.275 6.419 -1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.548 7.557 -1.984 1.00 0.00 H new ATOM 1575 N GLU A 121 0.853 10.764 -1.811 1.00 0.00 N ATOM 1576 CA GLU A 121 1.580 11.561 -2.793 1.00 0.00 C ATOM 1577 C GLU A 121 3.045 11.712 -2.394 1.00 0.00 C ATOM 1578 O GLU A 121 3.937 11.702 -3.243 1.00 0.00 O ATOM 1579 CB GLU A 121 0.936 12.940 -2.943 1.00 0.00 C ATOM 1580 CG GLU A 121 0.607 13.605 -1.616 1.00 0.00 C ATOM 1581 CD GLU A 121 0.155 15.043 -1.781 1.00 0.00 C ATOM 1582 OE1 GLU A 121 0.486 15.653 -2.819 1.00 0.00 O ATOM 1583 OE2 GLU A 121 -0.528 15.559 -0.873 1.00 0.00 O ATOM 0 H GLU A 121 0.972 11.073 -0.846 1.00 0.00 H new ATOM 0 HA GLU A 121 1.533 11.041 -3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 121 1.608 13.586 -3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 121 0.021 12.843 -3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -0.176 13.037 -1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.485 13.576 -0.971 1.00 0.00 H new ATOM 1590 N LYS A 122 3.287 11.851 -1.095 1.00 0.00 N ATOM 1591 CA LYS A 122 4.642 12.004 -0.580 1.00 0.00 C ATOM 1592 C LYS A 122 5.096 10.739 0.140 1.00 0.00 C ATOM 1593 O LYS A 122 4.490 10.324 1.127 1.00 0.00 O ATOM 1594 CB LYS A 122 4.717 13.201 0.371 1.00 0.00 C ATOM 1595 CG LYS A 122 4.477 14.536 -0.311 1.00 0.00 C ATOM 1596 CD LYS A 122 4.614 15.693 0.665 1.00 0.00 C ATOM 1597 CE LYS A 122 6.072 16.064 0.886 1.00 0.00 C ATOM 1598 NZ LYS A 122 6.218 17.185 1.857 1.00 0.00 N ATOM 0 H LYS A 122 2.561 11.861 -0.379 1.00 0.00 H new ATOM 0 HA LYS A 122 5.308 12.178 -1.425 1.00 0.00 H new ATOM 0 HB2 LYS A 122 3.981 13.070 1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.698 13.216 0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.188 14.661 -1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.480 14.547 -0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.071 16.558 0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 122 4.157 15.423 1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.617 15.194 1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 122 6.523 16.346 -0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 7.226 17.408 1.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 5.719 18.024 1.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 5.810 16.907 2.772 1.00 0.00 H new ATOM 1612 N VAL A 123 6.168 10.131 -0.360 1.00 0.00 N ATOM 1613 CA VAL A 123 6.705 8.914 0.238 1.00 0.00 C ATOM 1614 C VAL A 123 8.224 8.866 0.116 1.00 0.00 C ATOM 1615 O VAL A 123 8.775 9.052 -0.969 1.00 0.00 O ATOM 1616 CB VAL A 123 6.108 7.655 -0.419 1.00 0.00 C ATOM 1617 CG1 VAL A 123 6.733 6.399 0.169 1.00 0.00 C ATOM 1618 CG2 VAL A 123 4.596 7.636 -0.255 1.00 0.00 C ATOM 0 H VAL A 123 6.681 10.461 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 123 6.428 8.930 1.292 1.00 0.00 H new ATOM 0 HB VAL A 123 6.335 7.679 -1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.299 5.520 -0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.809 6.412 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.539 6.364 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.190 6.740 -0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.345 7.635 0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 123 4.168 8.520 -0.728 1.00 0.00 H new ATOM 1628 N GLN A 124 8.894 8.615 1.236 1.00 0.00 N ATOM 1629 CA GLN A 124 10.350 8.543 1.254 1.00 0.00 C ATOM 1630 C GLN A 124 10.847 7.357 0.435 1.00 0.00 C ATOM 1631 O GLN A 124 11.241 6.329 0.988 1.00 0.00 O ATOM 1632 CB GLN A 124 10.859 8.434 2.692 1.00 0.00 C ATOM 1633 CG GLN A 124 9.924 7.666 3.611 1.00 0.00 C ATOM 1634 CD GLN A 124 10.604 7.207 4.887 1.00 0.00 C ATOM 1635 OE1 GLN A 124 11.534 7.851 5.373 1.00 0.00 O ATOM 1636 NE2 GLN A 124 10.143 6.090 5.435 1.00 0.00 N ATOM 0 H GLN A 124 8.452 8.458 2.142 1.00 0.00 H new ATOM 0 HA GLN A 124 10.739 9.458 0.807 1.00 0.00 H new ATOM 0 HB2 GLN A 124 11.833 7.945 2.688 1.00 0.00 H new ATOM 0 HB3 GLN A 124 11.007 9.437 3.093 1.00 0.00 H new ATOM 0 HG2 GLN A 124 9.072 8.296 3.865 1.00 0.00 H new ATOM 0 HG3 GLN A 124 9.532 6.798 3.081 1.00 0.00 H new ATOM 0 HE21 GLN A 124 9.370 5.589 4.998 1.00 0.00 H new ATOM 0 HE22 GLN A 124 10.562 5.733 6.294 1.00 0.00 H new ATOM 1645 N TRP A 125 10.825 7.504 -0.885 1.00 0.00 N ATOM 1646 CA TRP A 125 11.272 6.443 -1.780 1.00 0.00 C ATOM 1647 C TRP A 125 12.779 6.240 -1.672 1.00 0.00 C ATOM 1648 O TRP A 125 13.457 6.936 -0.916 1.00 0.00 O ATOM 1649 CB TRP A 125 10.892 6.772 -3.224 1.00 0.00 C ATOM 1650 CG TRP A 125 9.412 6.791 -3.459 1.00 0.00 C ATOM 1651 CD1 TRP A 125 8.613 7.894 -3.571 1.00 0.00 C ATOM 1652 CD2 TRP A 125 8.552 5.655 -3.609 1.00 0.00 C ATOM 1653 NE1 TRP A 125 7.311 7.511 -3.781 1.00 0.00 N ATOM 1654 CE2 TRP A 125 7.247 6.144 -3.809 1.00 0.00 C ATOM 1655 CE3 TRP A 125 8.761 4.273 -3.596 1.00 0.00 C ATOM 1656 CZ2 TRP A 125 6.156 5.298 -3.994 1.00 0.00 C ATOM 1657 CZ3 TRP A 125 7.676 3.436 -3.778 1.00 0.00 C ATOM 1658 CH2 TRP A 125 6.388 3.950 -3.974 1.00 0.00 C ATOM 0 H TRP A 125 10.502 8.348 -1.359 1.00 0.00 H new ATOM 0 HA TRP A 125 10.777 5.518 -1.483 1.00 0.00 H new ATOM 0 HB2 TRP A 125 11.307 7.744 -3.489 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.349 6.039 -3.888 1.00 0.00 H new ATOM 0 HD1 TRP A 125 8.955 8.916 -3.504 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.519 8.143 -3.897 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.751 3.867 -3.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 5.162 5.692 -4.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 7.824 2.366 -3.769 1.00 0.00 H new ATOM 0 HH2 TRP A 125 5.562 3.269 -4.112 1.00 0.00 H new