USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 832 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 91 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 94 THR OG1 : rot 108:sc= 0.536 USER MOD Set 2.1: A 86 LYS NZ :NH3+ -174:sc= 0.378 (180deg=0.296) USER MOD Set 2.2: A 87 TYR OH : rot -59:sc= 1.46 USER MOD Single : A 25 SER OG : rot 180:sc= -0.135 USER MOD Single : A 28 GLN : amide:sc= -0.124 K(o=-0.12,f=-1) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= -4.98! K(o=-5!,f=-5.7) USER MOD Single : A 52 GLN : amide:sc= -2.23! K(o=-2.2!,f=-1.2) USER MOD Single : A 53 CYS SG : rot -163:sc= -1.57 USER MOD Single : A 55 GLN : amide:sc= -0.973 K(o=-0.97,f=-0.038) USER MOD Single : A 56 MET CE :methyl -143:sc= -2.06 (180deg=-5.83!) USER MOD Single : A 57 ASN : amide:sc= -0.656 K(o=-0.66,f=-2!) USER MOD Single : A 60 MET CE :methyl -141:sc= -0.888 (180deg=-2.76!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 110:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.111) USER MOD Single : A 84 SER OG : rot 85:sc= 0.153 USER MOD Single : A 90 SER OG : rot 68:sc= 0.373 USER MOD Single : A 99 LYS NZ :NH3+ 154:sc= -0.141 (180deg=-0.609) USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 101 SER OG : rot -53:sc= 0.555 USER MOD Single : A 102 GLN : amide:sc= -1.02 K(o=-1,f=-4.7!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-0.25) USER MOD Single : A 116 THR OG1 : rot 78:sc= 0.147 USER MOD Single : A 117 LYS NZ :NH3+ -166:sc= -0.0228 (180deg=-0.211) USER MOD Single : A 118 LYS NZ :NH3+ -123:sc= 1.07 (180deg=-0.0765) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 201 N VAL A 20 -1.048 1.548 -9.099 1.00 0.00 N ATOM 202 CA VAL A 20 -2.266 1.852 -8.359 1.00 0.00 C ATOM 203 C VAL A 20 -3.379 2.308 -9.296 1.00 0.00 C ATOM 204 O VAL A 20 -3.304 3.385 -9.886 1.00 0.00 O ATOM 205 CB VAL A 20 -2.022 2.945 -7.301 1.00 0.00 C ATOM 206 CG1 VAL A 20 -1.366 4.163 -7.932 1.00 0.00 C ATOM 207 CG2 VAL A 20 -3.327 3.326 -6.618 1.00 0.00 C ATOM 0 HA VAL A 20 -2.570 0.933 -7.858 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.345 2.549 -6.545 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.202 4.924 -7.169 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.410 3.876 -8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.015 4.564 -8.710 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.136 4.099 -5.874 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.030 3.703 -7.361 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.751 2.449 -6.129 1.00 0.00 H new ATOM 217 N GLU A 21 -4.411 1.480 -9.427 1.00 0.00 N ATOM 218 CA GLU A 21 -5.540 1.799 -10.293 1.00 0.00 C ATOM 219 C GLU A 21 -6.488 2.782 -9.612 1.00 0.00 C ATOM 220 O GLU A 21 -6.623 2.784 -8.389 1.00 0.00 O ATOM 221 CB GLU A 21 -6.296 0.524 -10.672 1.00 0.00 C ATOM 222 CG GLU A 21 -5.660 -0.242 -11.820 1.00 0.00 C ATOM 223 CD GLU A 21 -6.036 0.322 -13.177 1.00 0.00 C ATOM 224 OE1 GLU A 21 -7.244 0.355 -13.491 1.00 0.00 O ATOM 225 OE2 GLU A 21 -5.122 0.730 -13.924 1.00 0.00 O ATOM 0 H GLU A 21 -4.488 0.584 -8.945 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.150 2.265 -11.198 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.354 -0.127 -9.800 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.319 0.785 -10.943 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.576 -0.221 -11.710 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.965 -1.287 -11.768 1.00 0.00 H new ATOM 232 N GLU A 22 -7.142 3.617 -10.414 1.00 0.00 N ATOM 233 CA GLU A 22 -8.076 4.606 -9.888 1.00 0.00 C ATOM 234 C GLU A 22 -9.510 4.089 -9.954 1.00 0.00 C ATOM 235 O GLU A 22 -9.967 3.625 -10.999 1.00 0.00 O ATOM 236 CB GLU A 22 -7.958 5.916 -10.669 1.00 0.00 C ATOM 237 CG GLU A 22 -8.653 5.885 -12.020 1.00 0.00 C ATOM 238 CD GLU A 22 -8.043 4.869 -12.966 1.00 0.00 C ATOM 239 OE1 GLU A 22 -6.909 5.104 -13.436 1.00 0.00 O ATOM 240 OE2 GLU A 22 -8.697 3.841 -13.237 1.00 0.00 O ATOM 0 H GLU A 22 -7.042 3.628 -11.429 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.822 4.789 -8.844 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.380 6.724 -10.072 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.903 6.146 -10.818 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.709 5.654 -11.876 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.602 6.875 -12.474 1.00 0.00 H new ATOM 247 N VAL A 23 -10.215 4.171 -8.830 1.00 0.00 N ATOM 248 CA VAL A 23 -11.597 3.712 -8.759 1.00 0.00 C ATOM 249 C VAL A 23 -12.567 4.888 -8.750 1.00 0.00 C ATOM 250 O VAL A 23 -12.740 5.556 -7.731 1.00 0.00 O ATOM 251 CB VAL A 23 -11.839 2.852 -7.505 1.00 0.00 C ATOM 252 CG1 VAL A 23 -13.298 2.431 -7.419 1.00 0.00 C ATOM 253 CG2 VAL A 23 -10.925 1.636 -7.509 1.00 0.00 C ATOM 0 H VAL A 23 -9.852 4.551 -7.956 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.775 3.105 -9.647 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.606 3.451 -6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.450 1.824 -6.526 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.930 3.318 -7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.562 1.849 -8.302 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.109 1.039 -6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.125 1.034 -8.395 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.885 1.963 -7.519 1.00 0.00 H new ATOM 263 N GLY A 24 -13.198 5.137 -9.894 1.00 0.00 N ATOM 264 CA GLY A 24 -14.143 6.233 -9.996 1.00 0.00 C ATOM 265 C GLY A 24 -15.566 5.754 -10.207 1.00 0.00 C ATOM 266 O GLY A 24 -16.336 6.377 -10.938 1.00 0.00 O ATOM 0 H GLY A 24 -13.071 4.599 -10.751 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.096 6.835 -9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.855 6.881 -10.823 1.00 0.00 H new ATOM 270 N SER A 25 -15.915 4.643 -9.566 1.00 0.00 N ATOM 271 CA SER A 25 -17.254 4.078 -9.691 1.00 0.00 C ATOM 272 C SER A 25 -17.432 2.891 -8.749 1.00 0.00 C ATOM 273 O SER A 25 -16.526 2.076 -8.582 1.00 0.00 O ATOM 274 CB SER A 25 -17.513 3.641 -11.135 1.00 0.00 C ATOM 275 OG SER A 25 -16.523 2.729 -11.577 1.00 0.00 O ATOM 0 H SER A 25 -15.290 4.117 -8.955 1.00 0.00 H new ATOM 0 HA SER A 25 -17.975 4.849 -9.417 1.00 0.00 H new ATOM 0 HB2 SER A 25 -18.497 3.178 -11.207 1.00 0.00 H new ATOM 0 HB3 SER A 25 -17.524 4.515 -11.786 1.00 0.00 H new ATOM 0 HG SER A 25 -16.712 2.464 -12.501 1.00 0.00 H new ATOM 281 N ALA A 26 -18.608 2.802 -8.137 1.00 0.00 N ATOM 282 CA ALA A 26 -18.908 1.715 -7.213 1.00 0.00 C ATOM 283 C ALA A 26 -18.792 0.360 -7.904 1.00 0.00 C ATOM 284 O ALA A 26 -18.248 -0.590 -7.342 1.00 0.00 O ATOM 285 CB ALA A 26 -20.299 1.891 -6.623 1.00 0.00 C ATOM 0 H ALA A 26 -19.369 3.470 -8.264 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.177 1.746 -6.405 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -20.509 1.072 -5.935 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.349 2.838 -6.086 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.037 1.889 -7.425 1.00 0.00 H new ATOM 291 N GLY A 27 -19.309 0.278 -9.126 1.00 0.00 N ATOM 292 CA GLY A 27 -19.254 -0.966 -9.873 1.00 0.00 C ATOM 293 C GLY A 27 -17.841 -1.495 -10.013 1.00 0.00 C ATOM 294 O GLY A 27 -17.612 -2.701 -9.918 1.00 0.00 O ATOM 0 H GLY A 27 -19.765 1.050 -9.612 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.871 -1.713 -9.374 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.680 -0.811 -10.864 1.00 0.00 H new ATOM 298 N GLN A 28 -16.892 -0.593 -10.242 1.00 0.00 N ATOM 299 CA GLN A 28 -15.495 -0.978 -10.398 1.00 0.00 C ATOM 300 C GLN A 28 -14.973 -1.659 -9.138 1.00 0.00 C ATOM 301 O GLN A 28 -14.407 -2.750 -9.198 1.00 0.00 O ATOM 302 CB GLN A 28 -14.639 0.249 -10.721 1.00 0.00 C ATOM 303 CG GLN A 28 -13.184 -0.083 -11.007 1.00 0.00 C ATOM 304 CD GLN A 28 -12.490 0.991 -11.821 1.00 0.00 C ATOM 305 OE1 GLN A 28 -13.090 1.600 -12.707 1.00 0.00 O ATOM 306 NE2 GLN A 28 -11.218 1.230 -11.524 1.00 0.00 N ATOM 0 H GLN A 28 -17.065 0.409 -10.324 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.430 -1.686 -11.224 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.063 0.760 -11.585 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.686 0.945 -9.884 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.654 -0.218 -10.064 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.130 -1.031 -11.542 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.760 0.702 -10.782 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.699 1.942 -12.038 1.00 0.00 H new ATOM 315 N PHE A 29 -15.168 -1.008 -7.996 1.00 0.00 N ATOM 316 CA PHE A 29 -14.716 -1.550 -6.720 1.00 0.00 C ATOM 317 C PHE A 29 -15.415 -2.871 -6.412 1.00 0.00 C ATOM 318 O PHE A 29 -14.772 -3.916 -6.312 1.00 0.00 O ATOM 319 CB PHE A 29 -14.977 -0.548 -5.594 1.00 0.00 C ATOM 320 CG PHE A 29 -14.730 -1.108 -4.222 1.00 0.00 C ATOM 321 CD1 PHE A 29 -13.513 -1.692 -3.907 1.00 0.00 C ATOM 322 CD2 PHE A 29 -15.715 -1.053 -3.249 1.00 0.00 C ATOM 323 CE1 PHE A 29 -13.283 -2.208 -2.646 1.00 0.00 C ATOM 324 CE2 PHE A 29 -15.489 -1.567 -1.986 1.00 0.00 C ATOM 325 CZ PHE A 29 -14.273 -2.147 -1.685 1.00 0.00 C ATOM 0 H PHE A 29 -15.636 -0.104 -7.928 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.644 -1.734 -6.792 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.341 0.325 -5.741 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.010 -0.204 -5.657 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.736 -1.744 -4.655 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -16.670 -0.604 -3.480 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.330 -2.659 -2.412 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.263 -1.515 -1.235 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.096 -2.552 -0.700 1.00 0.00 H new ATOM 335 N GLU A 30 -16.734 -2.815 -6.263 1.00 0.00 N ATOM 336 CA GLU A 30 -17.520 -4.006 -5.965 1.00 0.00 C ATOM 337 C GLU A 30 -17.078 -5.181 -6.833 1.00 0.00 C ATOM 338 O GLU A 30 -17.062 -6.326 -6.383 1.00 0.00 O ATOM 339 CB GLU A 30 -19.010 -3.730 -6.183 1.00 0.00 C ATOM 340 CG GLU A 30 -19.585 -2.705 -5.220 1.00 0.00 C ATOM 341 CD GLU A 30 -21.069 -2.473 -5.433 1.00 0.00 C ATOM 342 OE1 GLU A 30 -21.454 -2.086 -6.556 1.00 0.00 O ATOM 343 OE2 GLU A 30 -21.844 -2.679 -4.476 1.00 0.00 O ATOM 0 H GLU A 30 -17.281 -1.958 -6.344 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.355 -4.266 -4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.161 -3.381 -7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.563 -4.664 -6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -19.416 -3.039 -4.196 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.053 -1.761 -5.339 1.00 0.00 H new ATOM 350 N GLU A 31 -16.720 -4.887 -8.079 1.00 0.00 N ATOM 351 CA GLU A 31 -16.279 -5.919 -9.010 1.00 0.00 C ATOM 352 C GLU A 31 -14.860 -6.375 -8.684 1.00 0.00 C ATOM 353 O GLU A 31 -14.609 -7.564 -8.482 1.00 0.00 O ATOM 354 CB GLU A 31 -16.341 -5.399 -10.448 1.00 0.00 C ATOM 355 CG GLU A 31 -15.929 -6.430 -11.486 1.00 0.00 C ATOM 356 CD GLU A 31 -16.603 -6.210 -12.826 1.00 0.00 C ATOM 357 OE1 GLU A 31 -16.454 -5.107 -13.392 1.00 0.00 O ATOM 358 OE2 GLU A 31 -17.279 -7.143 -13.309 1.00 0.00 O ATOM 0 H GLU A 31 -16.727 -3.944 -8.467 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.949 -6.773 -8.910 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.357 -5.066 -10.662 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.694 -4.526 -10.538 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.848 -6.396 -11.617 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.174 -7.427 -11.120 1.00 0.00 H new ATOM 365 N LEU A 32 -13.935 -5.423 -8.635 1.00 0.00 N ATOM 366 CA LEU A 32 -12.540 -5.726 -8.334 1.00 0.00 C ATOM 367 C LEU A 32 -12.425 -6.546 -7.053 1.00 0.00 C ATOM 368 O LEU A 32 -11.471 -7.303 -6.871 1.00 0.00 O ATOM 369 CB LEU A 32 -11.734 -4.433 -8.199 1.00 0.00 C ATOM 370 CG LEU A 32 -10.235 -4.544 -8.475 1.00 0.00 C ATOM 371 CD1 LEU A 32 -9.943 -4.295 -9.947 1.00 0.00 C ATOM 372 CD2 LEU A 32 -9.458 -3.568 -7.603 1.00 0.00 C ATOM 0 H LEU A 32 -14.126 -4.435 -8.800 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.136 -6.314 -9.158 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.155 -3.694 -8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.869 -4.048 -7.188 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.914 -5.556 -8.228 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.871 -4.378 -10.124 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.469 -5.033 -10.552 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.279 -3.295 -10.221 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.393 -3.661 -7.813 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.783 -2.550 -7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.642 -3.793 -6.552 1.00 0.00 H new ATOM 384 N LEU A 33 -13.404 -6.392 -6.168 1.00 0.00 N ATOM 385 CA LEU A 33 -13.415 -7.121 -4.904 1.00 0.00 C ATOM 386 C LEU A 33 -13.285 -8.622 -5.140 1.00 0.00 C ATOM 387 O LEU A 33 -12.539 -9.308 -4.441 1.00 0.00 O ATOM 388 CB LEU A 33 -14.702 -6.823 -4.133 1.00 0.00 C ATOM 389 CG LEU A 33 -14.662 -5.611 -3.203 1.00 0.00 C ATOM 390 CD1 LEU A 33 -16.050 -5.307 -2.661 1.00 0.00 C ATOM 391 CD2 LEU A 33 -13.681 -5.845 -2.063 1.00 0.00 C ATOM 0 H LEU A 33 -14.200 -5.769 -6.302 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.560 -6.790 -4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.507 -6.677 -4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.959 -7.702 -3.541 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.322 -4.749 -3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -16.001 -4.441 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.726 -5.094 -3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.419 -6.168 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.666 -4.972 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.990 -6.720 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.684 -6.012 -2.470 1.00 0.00 H new ATOM 403 N ARG A 34 -14.014 -9.126 -6.130 1.00 0.00 N ATOM 404 CA ARG A 34 -13.980 -10.546 -6.459 1.00 0.00 C ATOM 405 C ARG A 34 -12.746 -10.881 -7.291 1.00 0.00 C ATOM 406 O ARG A 34 -12.075 -11.886 -7.049 1.00 0.00 O ATOM 407 CB ARG A 34 -15.245 -10.946 -7.220 1.00 0.00 C ATOM 408 CG ARG A 34 -15.134 -10.764 -8.724 1.00 0.00 C ATOM 409 CD ARG A 34 -16.332 -11.360 -9.448 1.00 0.00 C ATOM 410 NE ARG A 34 -16.496 -10.801 -10.787 1.00 0.00 N ATOM 411 CZ ARG A 34 -17.126 -11.429 -11.773 1.00 0.00 C ATOM 412 NH1 ARG A 34 -17.647 -12.632 -11.572 1.00 0.00 N ATOM 413 NH2 ARG A 34 -17.235 -10.855 -12.965 1.00 0.00 N ATOM 0 H ARG A 34 -14.636 -8.572 -6.719 1.00 0.00 H new ATOM 0 HA ARG A 34 -13.933 -11.108 -5.526 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.473 -11.990 -7.005 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.083 -10.354 -6.852 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -15.057 -9.702 -8.958 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -14.219 -11.236 -9.082 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.212 -12.441 -9.519 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.235 -11.177 -8.866 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.105 -9.878 -10.975 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.564 -13.077 -10.658 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.130 -13.112 -12.331 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.835 -9.931 -13.124 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.719 -11.338 -13.721 1.00 0.00 H new ATOM 427 N LEU A 35 -12.451 -10.035 -8.271 1.00 0.00 N ATOM 428 CA LEU A 35 -11.298 -10.241 -9.140 1.00 0.00 C ATOM 429 C LEU A 35 -10.014 -10.354 -8.324 1.00 0.00 C ATOM 430 O LEU A 35 -9.294 -11.349 -8.412 1.00 0.00 O ATOM 431 CB LEU A 35 -11.178 -9.093 -10.144 1.00 0.00 C ATOM 432 CG LEU A 35 -12.274 -9.014 -11.207 1.00 0.00 C ATOM 433 CD1 LEU A 35 -12.417 -7.591 -11.723 1.00 0.00 C ATOM 434 CD2 LEU A 35 -11.975 -9.970 -12.353 1.00 0.00 C ATOM 0 H LEU A 35 -12.995 -9.199 -8.484 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.446 -11.175 -9.682 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.167 -8.153 -9.592 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.216 -9.177 -10.649 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.218 -9.309 -10.749 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.202 -7.555 -12.479 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.678 -6.929 -10.897 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.474 -7.267 -12.164 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.765 -9.901 -13.100 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.021 -9.705 -12.808 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.924 -10.990 -11.972 1.00 0.00 H new ATOM 446 N LYS A 36 -9.734 -9.328 -7.527 1.00 0.00 N ATOM 447 CA LYS A 36 -8.540 -9.312 -6.691 1.00 0.00 C ATOM 448 C LYS A 36 -8.842 -9.860 -5.300 1.00 0.00 C ATOM 449 O LYS A 36 -8.354 -9.338 -4.298 1.00 0.00 O ATOM 450 CB LYS A 36 -7.988 -7.888 -6.581 1.00 0.00 C ATOM 451 CG LYS A 36 -7.709 -7.239 -7.926 1.00 0.00 C ATOM 452 CD LYS A 36 -6.503 -7.864 -8.607 1.00 0.00 C ATOM 453 CE LYS A 36 -6.291 -7.292 -10.000 1.00 0.00 C ATOM 454 NZ LYS A 36 -5.339 -8.113 -10.798 1.00 0.00 N ATOM 0 H LYS A 36 -10.319 -8.496 -7.443 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.791 -9.951 -7.159 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.700 -7.273 -6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.067 -7.908 -5.999 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.584 -7.340 -8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.537 -6.172 -7.787 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.613 -7.692 -8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.640 -8.943 -8.673 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.248 -7.238 -10.520 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.913 -6.273 -9.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.221 -7.690 -11.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.418 -8.144 -10.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.711 -9.079 -10.896 1.00 0.00 H new ATOM 468 N ALA A 37 -9.647 -10.915 -5.247 1.00 0.00 N ATOM 469 CA ALA A 37 -10.011 -11.536 -3.979 1.00 0.00 C ATOM 470 C ALA A 37 -8.849 -12.343 -3.410 1.00 0.00 C ATOM 471 O ALA A 37 -8.573 -12.294 -2.211 1.00 0.00 O ATOM 472 CB ALA A 37 -11.235 -12.422 -4.157 1.00 0.00 C ATOM 0 H ALA A 37 -10.060 -11.358 -6.068 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.250 -10.744 -3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.495 -12.879 -3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.072 -11.820 -4.511 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.016 -13.203 -4.885 1.00 0.00 H new ATOM 478 N LYS A 38 -8.170 -13.087 -4.277 1.00 0.00 N ATOM 479 CA LYS A 38 -7.037 -13.905 -3.862 1.00 0.00 C ATOM 480 C LYS A 38 -5.939 -13.042 -3.249 1.00 0.00 C ATOM 481 O LYS A 38 -5.413 -13.356 -2.181 1.00 0.00 O ATOM 482 CB LYS A 38 -6.481 -14.686 -5.055 1.00 0.00 C ATOM 483 CG LYS A 38 -7.346 -15.865 -5.466 1.00 0.00 C ATOM 484 CD LYS A 38 -6.876 -17.155 -4.814 1.00 0.00 C ATOM 485 CE LYS A 38 -7.617 -17.423 -3.513 1.00 0.00 C ATOM 486 NZ LYS A 38 -7.072 -18.611 -2.799 1.00 0.00 N ATOM 0 H LYS A 38 -8.385 -13.140 -5.273 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.386 -14.609 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.375 -14.010 -5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.482 -15.047 -4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.382 -15.672 -5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.322 -15.974 -6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.030 -17.988 -5.500 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.805 -17.096 -4.619 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.546 -16.547 -2.868 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.675 -17.579 -3.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.603 -18.760 -1.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.163 -19.452 -3.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.069 -18.452 -2.576 1.00 0.00 H new ATOM 500 N SER A 39 -5.597 -11.954 -3.931 1.00 0.00 N ATOM 501 CA SER A 39 -4.560 -11.047 -3.454 1.00 0.00 C ATOM 502 C SER A 39 -5.127 -10.058 -2.440 1.00 0.00 C ATOM 503 O SER A 39 -6.342 -9.957 -2.265 1.00 0.00 O ATOM 504 CB SER A 39 -3.935 -10.290 -4.628 1.00 0.00 C ATOM 505 OG SER A 39 -2.867 -11.026 -5.198 1.00 0.00 O ATOM 0 H SER A 39 -6.023 -11.679 -4.816 1.00 0.00 H new ATOM 0 HA SER A 39 -3.790 -11.642 -2.963 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.694 -10.098 -5.386 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.572 -9.320 -4.288 1.00 0.00 H new ATOM 0 HG SER A 39 -2.485 -10.522 -5.947 1.00 0.00 H new ATOM 511 N LEU A 40 -4.238 -9.329 -1.774 1.00 0.00 N ATOM 512 CA LEU A 40 -4.648 -8.346 -0.777 1.00 0.00 C ATOM 513 C LEU A 40 -5.058 -7.035 -1.440 1.00 0.00 C ATOM 514 O LEU A 40 -4.289 -6.445 -2.200 1.00 0.00 O ATOM 515 CB LEU A 40 -3.513 -8.095 0.217 1.00 0.00 C ATOM 516 CG LEU A 40 -3.742 -6.971 1.228 1.00 0.00 C ATOM 517 CD1 LEU A 40 -4.943 -7.281 2.108 1.00 0.00 C ATOM 518 CD2 LEU A 40 -2.497 -6.755 2.077 1.00 0.00 C ATOM 0 H LEU A 40 -3.229 -9.400 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.510 -8.746 -0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.327 -9.018 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.607 -7.871 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.947 -6.051 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.090 -6.470 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.833 -7.384 1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.768 -8.212 2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.678 -5.951 2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.260 -7.672 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.660 -6.486 1.433 1.00 0.00 H new ATOM 530 N LEU A 41 -6.272 -6.584 -1.146 1.00 0.00 N ATOM 531 CA LEU A 41 -6.784 -5.341 -1.712 1.00 0.00 C ATOM 532 C LEU A 41 -6.643 -4.192 -0.719 1.00 0.00 C ATOM 533 O LEU A 41 -6.851 -4.366 0.482 1.00 0.00 O ATOM 534 CB LEU A 41 -8.250 -5.506 -2.115 1.00 0.00 C ATOM 535 CG LEU A 41 -8.779 -4.511 -3.148 1.00 0.00 C ATOM 536 CD1 LEU A 41 -8.353 -4.920 -4.550 1.00 0.00 C ATOM 537 CD2 LEU A 41 -10.294 -4.404 -3.059 1.00 0.00 C ATOM 0 H LEU A 41 -6.920 -7.060 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.195 -5.105 -2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.387 -6.514 -2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.864 -5.428 -1.217 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.353 -3.531 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.739 -4.200 -5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.265 -4.944 -4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.750 -5.909 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.653 -3.691 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.739 -5.381 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.577 -4.063 -2.063 1.00 0.00 H new ATOM 549 N VAL A 42 -6.292 -3.015 -1.228 1.00 0.00 N ATOM 550 CA VAL A 42 -6.127 -1.836 -0.387 1.00 0.00 C ATOM 551 C VAL A 42 -6.870 -0.638 -0.968 1.00 0.00 C ATOM 552 O VAL A 42 -6.412 -0.015 -1.925 1.00 0.00 O ATOM 553 CB VAL A 42 -4.641 -1.471 -0.216 1.00 0.00 C ATOM 554 CG1 VAL A 42 -4.493 -0.204 0.613 1.00 0.00 C ATOM 555 CG2 VAL A 42 -3.879 -2.625 0.418 1.00 0.00 C ATOM 0 H VAL A 42 -6.116 -2.853 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.547 -2.082 0.588 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.216 -1.282 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.436 0.038 0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.003 0.619 0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.934 -0.360 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.830 -2.350 0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.304 -2.847 1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.956 -3.506 -0.220 1.00 0.00 H new ATOM 565 N VAL A 43 -8.020 -0.321 -0.381 1.00 0.00 N ATOM 566 CA VAL A 43 -8.827 0.804 -0.839 1.00 0.00 C ATOM 567 C VAL A 43 -8.494 2.072 -0.061 1.00 0.00 C ATOM 568 O VAL A 43 -8.845 2.203 1.112 1.00 0.00 O ATOM 569 CB VAL A 43 -10.332 0.509 -0.700 1.00 0.00 C ATOM 570 CG1 VAL A 43 -11.154 1.720 -1.114 1.00 0.00 C ATOM 571 CG2 VAL A 43 -10.714 -0.712 -1.523 1.00 0.00 C ATOM 0 H VAL A 43 -8.414 -0.827 0.412 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.590 0.955 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.547 0.295 0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.215 1.493 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.900 2.567 -0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.937 1.969 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.781 -0.906 -1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.485 -0.529 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.150 -1.577 -1.174 1.00 0.00 H new ATOM 581 N HIS A 44 -7.815 3.005 -0.721 1.00 0.00 N ATOM 582 CA HIS A 44 -7.435 4.264 -0.091 1.00 0.00 C ATOM 583 C HIS A 44 -8.388 5.384 -0.498 1.00 0.00 C ATOM 584 O HIS A 44 -8.591 5.639 -1.685 1.00 0.00 O ATOM 585 CB HIS A 44 -6.001 4.636 -0.469 1.00 0.00 C ATOM 586 CG HIS A 44 -5.637 6.047 -0.122 1.00 0.00 C ATOM 587 ND1 HIS A 44 -5.153 6.948 -1.046 1.00 0.00 N ATOM 588 CD2 HIS A 44 -5.690 6.710 1.057 1.00 0.00 C ATOM 589 CE1 HIS A 44 -4.922 8.105 -0.451 1.00 0.00 C ATOM 590 NE2 HIS A 44 -5.241 7.987 0.826 1.00 0.00 N ATOM 0 H HIS A 44 -7.517 2.913 -1.692 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.495 4.134 0.990 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.313 3.957 0.036 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.866 4.488 -1.540 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.997 6.752 -2.035 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -6.023 6.309 2.003 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.538 8.995 -0.927 1.00 0.00 H new ATOM 599 N PHE A 45 -8.970 6.049 0.494 1.00 0.00 N ATOM 600 CA PHE A 45 -9.903 7.141 0.239 1.00 0.00 C ATOM 601 C PHE A 45 -9.156 8.447 -0.016 1.00 0.00 C ATOM 602 O PHE A 45 -8.529 9.002 0.887 1.00 0.00 O ATOM 603 CB PHE A 45 -10.859 7.310 1.422 1.00 0.00 C ATOM 604 CG PHE A 45 -12.085 6.447 1.330 1.00 0.00 C ATOM 605 CD1 PHE A 45 -12.012 5.086 1.581 1.00 0.00 C ATOM 606 CD2 PHE A 45 -13.311 6.997 0.991 1.00 0.00 C ATOM 607 CE1 PHE A 45 -13.138 4.290 1.497 1.00 0.00 C ATOM 608 CE2 PHE A 45 -14.441 6.205 0.906 1.00 0.00 C ATOM 609 CZ PHE A 45 -14.354 4.850 1.158 1.00 0.00 C ATOM 0 H PHE A 45 -8.812 5.851 1.482 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.479 6.892 -0.652 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.328 7.076 2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.164 8.355 1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.063 4.642 1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.385 8.056 0.791 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.067 3.231 1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.391 6.646 0.643 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.235 4.229 1.090 1.00 0.00 H new ATOM 619 N TRP A 46 -9.226 8.930 -1.251 1.00 0.00 N ATOM 620 CA TRP A 46 -8.556 10.170 -1.625 1.00 0.00 C ATOM 621 C TRP A 46 -9.569 11.236 -2.029 1.00 0.00 C ATOM 622 O TRP A 46 -10.621 10.925 -2.587 1.00 0.00 O ATOM 623 CB TRP A 46 -7.577 9.918 -2.773 1.00 0.00 C ATOM 624 CG TRP A 46 -8.251 9.742 -4.100 1.00 0.00 C ATOM 625 CD1 TRP A 46 -8.794 8.592 -4.598 1.00 0.00 C ATOM 626 CD2 TRP A 46 -8.451 10.747 -5.100 1.00 0.00 C ATOM 627 NE1 TRP A 46 -9.319 8.822 -5.846 1.00 0.00 N ATOM 628 CE2 TRP A 46 -9.123 10.136 -6.177 1.00 0.00 C ATOM 629 CE3 TRP A 46 -8.130 12.104 -5.189 1.00 0.00 C ATOM 630 CZ2 TRP A 46 -9.477 10.837 -7.327 1.00 0.00 C ATOM 631 CZ3 TRP A 46 -8.482 12.798 -6.331 1.00 0.00 C ATOM 632 CH2 TRP A 46 -9.150 12.164 -7.387 1.00 0.00 C ATOM 0 H TRP A 46 -9.740 8.482 -2.010 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.003 10.531 -0.758 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -6.879 10.753 -2.836 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.989 9.027 -2.551 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.808 7.641 -4.086 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.781 8.126 -6.432 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.616 12.602 -4.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -9.991 10.350 -8.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -8.238 13.847 -6.411 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -9.412 12.734 -8.266 1.00 0.00 H new ATOM 643 N ALA A 47 -9.245 12.492 -1.744 1.00 0.00 N ATOM 644 CA ALA A 47 -10.126 13.604 -2.080 1.00 0.00 C ATOM 645 C ALA A 47 -9.373 14.691 -2.839 1.00 0.00 C ATOM 646 O ALA A 47 -8.213 14.990 -2.555 1.00 0.00 O ATOM 647 CB ALA A 47 -10.757 14.177 -0.819 1.00 0.00 C ATOM 0 H ALA A 47 -8.378 12.766 -1.281 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.916 13.226 -2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.412 15.007 -1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.337 13.402 -0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.974 14.533 -0.150 1.00 0.00 H new ATOM 653 N PRO A 48 -10.046 15.299 -3.827 1.00 0.00 N ATOM 654 CA PRO A 48 -9.460 16.363 -4.647 1.00 0.00 C ATOM 655 C PRO A 48 -9.255 17.653 -3.862 1.00 0.00 C ATOM 656 O PRO A 48 -8.821 18.665 -4.414 1.00 0.00 O ATOM 657 CB PRO A 48 -10.496 16.570 -5.754 1.00 0.00 C ATOM 658 CG PRO A 48 -11.783 16.115 -5.158 1.00 0.00 C ATOM 659 CD PRO A 48 -11.432 14.993 -4.220 1.00 0.00 C ATOM 0 HA PRO A 48 -8.470 16.094 -5.016 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.548 17.616 -6.057 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.246 15.992 -6.644 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.276 16.929 -4.626 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.473 15.776 -5.931 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.098 14.967 -3.357 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.506 14.022 -4.709 1.00 0.00 H new ATOM 667 N TRP A 49 -9.568 17.611 -2.572 1.00 0.00 N ATOM 668 CA TRP A 49 -9.417 18.779 -1.710 1.00 0.00 C ATOM 669 C TRP A 49 -8.434 18.498 -0.580 1.00 0.00 C ATOM 670 O TRP A 49 -7.541 19.300 -0.308 1.00 0.00 O ATOM 671 CB TRP A 49 -10.773 19.191 -1.134 1.00 0.00 C ATOM 672 CG TRP A 49 -11.620 18.027 -0.718 1.00 0.00 C ATOM 673 CD1 TRP A 49 -12.504 17.337 -1.498 1.00 0.00 C ATOM 674 CD2 TRP A 49 -11.665 17.418 0.577 1.00 0.00 C ATOM 675 NE1 TRP A 49 -13.096 16.336 -0.766 1.00 0.00 N ATOM 676 CE2 TRP A 49 -12.597 16.364 0.510 1.00 0.00 C ATOM 677 CE3 TRP A 49 -11.007 17.659 1.786 1.00 0.00 C ATOM 678 CZ2 TRP A 49 -12.887 15.556 1.606 1.00 0.00 C ATOM 679 CZ3 TRP A 49 -11.295 16.856 2.873 1.00 0.00 C ATOM 680 CH2 TRP A 49 -12.228 15.815 2.777 1.00 0.00 C ATOM 0 H TRP A 49 -9.928 16.782 -2.100 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.023 19.597 -2.313 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.612 19.840 -0.273 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.313 19.777 -1.878 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.708 17.547 -2.538 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.793 15.679 -1.116 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.286 18.459 1.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.606 14.754 1.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -10.793 17.034 3.812 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -12.431 15.205 3.645 1.00 0.00 H new ATOM 691 N ALA A 50 -8.604 17.354 0.076 1.00 0.00 N ATOM 692 CA ALA A 50 -7.729 16.967 1.176 1.00 0.00 C ATOM 693 C ALA A 50 -6.271 16.924 0.729 1.00 0.00 C ATOM 694 O ALA A 50 -5.893 16.166 -0.164 1.00 0.00 O ATOM 695 CB ALA A 50 -8.151 15.617 1.735 1.00 0.00 C ATOM 0 H ALA A 50 -9.339 16.680 -0.135 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.819 17.718 1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.489 15.340 2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.176 15.679 2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.091 14.863 0.950 1.00 0.00 H new ATOM 701 N PRO A 51 -5.433 17.757 1.363 1.00 0.00 N ATOM 702 CA PRO A 51 -4.004 17.833 1.047 1.00 0.00 C ATOM 703 C PRO A 51 -3.246 16.583 1.482 1.00 0.00 C ATOM 704 O PRO A 51 -2.252 16.203 0.864 1.00 0.00 O ATOM 705 CB PRO A 51 -3.528 19.051 1.843 1.00 0.00 C ATOM 706 CG PRO A 51 -4.494 19.165 2.972 1.00 0.00 C ATOM 707 CD PRO A 51 -5.816 18.689 2.437 1.00 0.00 C ATOM 0 HA PRO A 51 -3.828 17.913 -0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.509 18.914 2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.529 19.951 1.228 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.176 18.559 3.820 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.563 20.194 3.324 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.407 18.193 3.208 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.417 19.515 2.057 1.00 0.00 H new ATOM 715 N GLN A 52 -3.724 15.950 2.549 1.00 0.00 N ATOM 716 CA GLN A 52 -3.090 14.742 3.066 1.00 0.00 C ATOM 717 C GLN A 52 -2.771 13.768 1.936 1.00 0.00 C ATOM 718 O GLN A 52 -1.626 13.346 1.773 1.00 0.00 O ATOM 719 CB GLN A 52 -3.997 14.067 4.097 1.00 0.00 C ATOM 720 CG GLN A 52 -3.880 14.661 5.491 1.00 0.00 C ATOM 721 CD GLN A 52 -5.140 14.472 6.313 1.00 0.00 C ATOM 722 OE1 GLN A 52 -6.129 15.181 6.127 1.00 0.00 O ATOM 723 NE2 GLN A 52 -5.110 13.511 7.229 1.00 0.00 N ATOM 0 H GLN A 52 -4.546 16.253 3.071 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.155 15.029 3.547 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.032 14.144 3.764 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.755 13.005 4.142 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.040 14.199 6.009 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.659 15.725 5.411 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.269 12.947 7.349 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.928 13.337 7.812 1.00 0.00 H new ATOM 732 N CYS A 53 -3.790 13.416 1.160 1.00 0.00 N ATOM 733 CA CYS A 53 -3.618 12.490 0.046 1.00 0.00 C ATOM 734 C CYS A 53 -2.316 12.770 -0.697 1.00 0.00 C ATOM 735 O CYS A 53 -1.754 11.884 -1.339 1.00 0.00 O ATOM 736 CB CYS A 53 -4.802 12.593 -0.917 1.00 0.00 C ATOM 737 SG CYS A 53 -4.532 11.778 -2.508 1.00 0.00 S ATOM 0 H CYS A 53 -4.743 13.757 1.281 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.574 11.478 0.449 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.681 12.158 -0.442 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.023 13.646 -1.093 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.406 12.208 -3.369 1.00 0.00 H new ATOM 743 N ALA A 54 -1.843 14.009 -0.606 1.00 0.00 N ATOM 744 CA ALA A 54 -0.608 14.406 -1.270 1.00 0.00 C ATOM 745 C ALA A 54 0.510 13.406 -0.993 1.00 0.00 C ATOM 746 O ALA A 54 0.933 12.672 -1.886 1.00 0.00 O ATOM 747 CB ALA A 54 -0.193 15.800 -0.824 1.00 0.00 C ATOM 0 H ALA A 54 -2.297 14.755 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.791 14.420 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.731 16.083 -1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.978 16.512 -1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.034 15.805 0.254 1.00 0.00 H new ATOM 753 N GLN A 55 0.983 13.383 0.249 1.00 0.00 N ATOM 754 CA GLN A 55 2.052 12.473 0.642 1.00 0.00 C ATOM 755 C GLN A 55 1.620 11.020 0.474 1.00 0.00 C ATOM 756 O GLN A 55 2.315 10.225 -0.158 1.00 0.00 O ATOM 757 CB GLN A 55 2.463 12.731 2.093 1.00 0.00 C ATOM 758 CG GLN A 55 1.298 12.703 3.069 1.00 0.00 C ATOM 759 CD GLN A 55 1.524 13.596 4.273 1.00 0.00 C ATOM 760 OE1 GLN A 55 0.575 14.020 4.933 1.00 0.00 O ATOM 761 NE2 GLN A 55 2.786 13.887 4.566 1.00 0.00 N ATOM 0 H GLN A 55 0.643 13.984 1.000 1.00 0.00 H new ATOM 0 HA GLN A 55 2.907 12.656 -0.008 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.196 11.982 2.393 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.955 13.701 2.155 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.390 13.017 2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.136 11.679 3.406 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.542 13.514 3.992 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.999 14.484 5.365 1.00 0.00 H new ATOM 770 N MET A 56 0.469 10.680 1.045 1.00 0.00 N ATOM 771 CA MET A 56 -0.056 9.322 0.957 1.00 0.00 C ATOM 772 C MET A 56 0.063 8.784 -0.465 1.00 0.00 C ATOM 773 O MET A 56 0.781 7.817 -0.714 1.00 0.00 O ATOM 774 CB MET A 56 -1.517 9.288 1.408 1.00 0.00 C ATOM 775 CG MET A 56 -1.710 9.635 2.875 1.00 0.00 C ATOM 776 SD MET A 56 -1.574 8.197 3.954 1.00 0.00 S ATOM 777 CE MET A 56 0.130 8.335 4.489 1.00 0.00 C ATOM 0 H MET A 56 -0.118 11.326 1.573 1.00 0.00 H new ATOM 0 HA MET A 56 0.535 8.687 1.617 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.092 9.986 0.800 1.00 0.00 H new ATOM 0 HB3 MET A 56 -1.923 8.294 1.222 1.00 0.00 H new ATOM 0 HG2 MET A 56 -0.967 10.377 3.169 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.689 10.094 3.010 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.568 7.340 4.569 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.693 8.922 3.763 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.168 8.827 5.461 1.00 0.00 H new ATOM 787 N ASN A 57 -0.645 9.418 -1.394 1.00 0.00 N ATOM 788 CA ASN A 57 -0.619 9.002 -2.791 1.00 0.00 C ATOM 789 C ASN A 57 0.760 8.475 -3.176 1.00 0.00 C ATOM 790 O ASN A 57 0.888 7.369 -3.699 1.00 0.00 O ATOM 791 CB ASN A 57 -1.004 10.171 -3.701 1.00 0.00 C ATOM 792 CG ASN A 57 -0.827 9.842 -5.170 1.00 0.00 C ATOM 793 OD1 ASN A 57 -0.641 8.683 -5.541 1.00 0.00 O ATOM 794 ND2 ASN A 57 -0.885 10.864 -6.016 1.00 0.00 N ATOM 0 H ASN A 57 -1.244 10.222 -1.204 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.344 8.198 -2.918 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.042 10.446 -3.515 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.395 11.039 -3.450 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.774 10.704 -7.017 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.041 11.809 -5.665 1.00 0.00 H new ATOM 801 N GLU A 58 1.788 9.276 -2.914 1.00 0.00 N ATOM 802 CA GLU A 58 3.157 8.891 -3.233 1.00 0.00 C ATOM 803 C GLU A 58 3.511 7.555 -2.587 1.00 0.00 C ATOM 804 O GLU A 58 3.920 6.612 -3.265 1.00 0.00 O ATOM 805 CB GLU A 58 4.136 9.970 -2.768 1.00 0.00 C ATOM 806 CG GLU A 58 3.867 11.338 -3.373 1.00 0.00 C ATOM 807 CD GLU A 58 4.929 12.357 -3.009 1.00 0.00 C ATOM 808 OE1 GLU A 58 5.307 12.420 -1.820 1.00 0.00 O ATOM 809 OE2 GLU A 58 5.383 13.091 -3.912 1.00 0.00 O ATOM 0 H GLU A 58 1.698 10.195 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 58 3.234 8.784 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.090 10.047 -1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.150 9.663 -3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.813 11.247 -4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.895 11.696 -3.035 1.00 0.00 H new ATOM 816 N VAL A 59 3.352 7.481 -1.269 1.00 0.00 N ATOM 817 CA VAL A 59 3.654 6.262 -0.529 1.00 0.00 C ATOM 818 C VAL A 59 3.068 5.038 -1.224 1.00 0.00 C ATOM 819 O VAL A 59 3.739 4.018 -1.377 1.00 0.00 O ATOM 820 CB VAL A 59 3.111 6.330 0.911 1.00 0.00 C ATOM 821 CG1 VAL A 59 3.373 5.022 1.643 1.00 0.00 C ATOM 822 CG2 VAL A 59 3.729 7.502 1.658 1.00 0.00 C ATOM 0 H VAL A 59 3.015 8.252 -0.692 1.00 0.00 H new ATOM 0 HA VAL A 59 4.740 6.173 -0.496 1.00 0.00 H new ATOM 0 HB VAL A 59 2.033 6.484 0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.983 5.089 2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.878 4.205 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.446 4.834 1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.334 7.535 2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.812 7.381 1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.485 8.431 1.143 1.00 0.00 H new ATOM 832 N MET A 60 1.812 5.148 -1.644 1.00 0.00 N ATOM 833 CA MET A 60 1.136 4.050 -2.325 1.00 0.00 C ATOM 834 C MET A 60 1.917 3.613 -3.560 1.00 0.00 C ATOM 835 O MET A 60 2.388 2.479 -3.639 1.00 0.00 O ATOM 836 CB MET A 60 -0.282 4.465 -2.724 1.00 0.00 C ATOM 837 CG MET A 60 -1.322 4.184 -1.652 1.00 0.00 C ATOM 838 SD MET A 60 -2.889 5.016 -1.969 1.00 0.00 S ATOM 839 CE MET A 60 -3.588 3.953 -3.231 1.00 0.00 C ATOM 0 H MET A 60 1.242 5.986 -1.525 1.00 0.00 H new ATOM 0 HA MET A 60 1.080 3.207 -1.636 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.289 5.530 -2.955 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.562 3.940 -3.637 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.492 3.109 -1.589 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.935 4.503 -0.684 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.094 4.562 -3.980 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.792 3.380 -3.706 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.304 3.269 -2.775 1.00 0.00 H new ATOM 849 N ALA A 61 2.049 4.520 -4.523 1.00 0.00 N ATOM 850 CA ALA A 61 2.775 4.229 -5.753 1.00 0.00 C ATOM 851 C ALA A 61 4.042 3.430 -5.467 1.00 0.00 C ATOM 852 O ALA A 61 4.351 2.468 -6.169 1.00 0.00 O ATOM 853 CB ALA A 61 3.116 5.519 -6.483 1.00 0.00 C ATOM 0 H ALA A 61 1.662 5.463 -4.475 1.00 0.00 H new ATOM 0 HA ALA A 61 2.131 3.623 -6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.658 5.286 -7.400 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.197 6.051 -6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.737 6.146 -5.843 1.00 0.00 H new ATOM 859 N GLU A 62 4.771 3.835 -4.432 1.00 0.00 N ATOM 860 CA GLU A 62 6.005 3.156 -4.055 1.00 0.00 C ATOM 861 C GLU A 62 5.728 1.716 -3.635 1.00 0.00 C ATOM 862 O GLU A 62 6.484 0.803 -3.970 1.00 0.00 O ATOM 863 CB GLU A 62 6.699 3.907 -2.916 1.00 0.00 C ATOM 864 CG GLU A 62 7.637 5.003 -3.392 1.00 0.00 C ATOM 865 CD GLU A 62 8.929 4.457 -3.967 1.00 0.00 C ATOM 866 OE1 GLU A 62 9.311 3.327 -3.597 1.00 0.00 O ATOM 867 OE2 GLU A 62 9.558 5.159 -4.786 1.00 0.00 O ATOM 0 H GLU A 62 4.529 4.629 -3.840 1.00 0.00 H new ATOM 0 HA GLU A 62 6.662 3.142 -4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.941 4.346 -2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.262 3.195 -2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.133 5.604 -4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.867 5.667 -2.558 1.00 0.00 H new ATOM 874 N LEU A 63 4.639 1.520 -2.900 1.00 0.00 N ATOM 875 CA LEU A 63 4.261 0.190 -2.432 1.00 0.00 C ATOM 876 C LEU A 63 3.778 -0.677 -3.591 1.00 0.00 C ATOM 877 O LEU A 63 4.133 -1.851 -3.690 1.00 0.00 O ATOM 878 CB LEU A 63 3.167 0.295 -1.368 1.00 0.00 C ATOM 879 CG LEU A 63 3.600 0.858 -0.014 1.00 0.00 C ATOM 880 CD1 LEU A 63 2.386 1.262 0.809 1.00 0.00 C ATOM 881 CD2 LEU A 63 4.444 -0.158 0.741 1.00 0.00 C ATOM 0 H LEU A 63 4.002 2.264 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 63 5.142 -0.279 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.366 0.921 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.747 -0.698 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 63 4.207 1.746 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.714 1.660 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.821 2.025 0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.752 0.391 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.743 0.260 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.862 -1.065 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.333 -0.398 0.157 1.00 0.00 H new ATOM 893 N ALA A 64 2.969 -0.089 -4.466 1.00 0.00 N ATOM 894 CA ALA A 64 2.441 -0.807 -5.619 1.00 0.00 C ATOM 895 C ALA A 64 3.497 -1.727 -6.224 1.00 0.00 C ATOM 896 O ALA A 64 3.334 -2.947 -6.243 1.00 0.00 O ATOM 897 CB ALA A 64 1.933 0.175 -6.665 1.00 0.00 C ATOM 0 H ALA A 64 2.665 0.882 -4.398 1.00 0.00 H new ATOM 0 HA ALA A 64 1.609 -1.425 -5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.541 -0.375 -7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.141 0.788 -6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.752 0.816 -6.990 1.00 0.00 H new ATOM 903 N LYS A 65 4.578 -1.134 -6.718 1.00 0.00 N ATOM 904 CA LYS A 65 5.662 -1.899 -7.323 1.00 0.00 C ATOM 905 C LYS A 65 6.371 -2.757 -6.279 1.00 0.00 C ATOM 906 O LYS A 65 6.617 -3.942 -6.500 1.00 0.00 O ATOM 907 CB LYS A 65 6.665 -0.959 -7.994 1.00 0.00 C ATOM 908 CG LYS A 65 7.251 0.078 -7.051 1.00 0.00 C ATOM 909 CD LYS A 65 8.176 1.036 -7.782 1.00 0.00 C ATOM 910 CE LYS A 65 8.791 2.052 -6.831 1.00 0.00 C ATOM 911 NZ LYS A 65 9.505 3.135 -7.561 1.00 0.00 N ATOM 0 H LYS A 65 4.727 -0.125 -6.711 1.00 0.00 H new ATOM 0 HA LYS A 65 5.232 -2.558 -8.077 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.476 -1.550 -8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.174 -0.448 -8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.444 0.639 -6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.800 -0.423 -6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.968 0.473 -8.276 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.620 1.556 -8.562 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.008 2.488 -6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.486 1.547 -6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.909 3.806 -6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.268 2.722 -8.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.837 3.634 -8.182 1.00 0.00 H new ATOM 925 N GLU A 66 6.696 -2.149 -5.142 1.00 0.00 N ATOM 926 CA GLU A 66 7.376 -2.858 -4.065 1.00 0.00 C ATOM 927 C GLU A 66 6.727 -4.216 -3.813 1.00 0.00 C ATOM 928 O GLU A 66 7.414 -5.212 -3.580 1.00 0.00 O ATOM 929 CB GLU A 66 7.356 -2.024 -2.783 1.00 0.00 C ATOM 930 CG GLU A 66 8.002 -2.717 -1.595 1.00 0.00 C ATOM 931 CD GLU A 66 7.519 -2.171 -0.266 1.00 0.00 C ATOM 932 OE1 GLU A 66 8.107 -1.181 0.218 1.00 0.00 O ATOM 933 OE2 GLU A 66 6.553 -2.733 0.290 1.00 0.00 O ATOM 0 H GLU A 66 6.499 -1.168 -4.943 1.00 0.00 H new ATOM 0 HA GLU A 66 8.411 -3.020 -4.367 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.870 -1.080 -2.966 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.323 -1.781 -2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.790 -3.785 -1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.084 -2.604 -1.658 1.00 0.00 H new ATOM 940 N LEU A 67 5.400 -4.248 -3.859 1.00 0.00 N ATOM 941 CA LEU A 67 4.656 -5.483 -3.635 1.00 0.00 C ATOM 942 C LEU A 67 3.710 -5.768 -4.797 1.00 0.00 C ATOM 943 O LEU A 67 2.582 -5.277 -4.846 1.00 0.00 O ATOM 944 CB LEU A 67 3.865 -5.395 -2.329 1.00 0.00 C ATOM 945 CG LEU A 67 4.659 -4.976 -1.091 1.00 0.00 C ATOM 946 CD1 LEU A 67 3.719 -4.536 0.021 1.00 0.00 C ATOM 947 CD2 LEU A 67 5.551 -6.115 -0.618 1.00 0.00 C ATOM 0 H LEU A 67 4.817 -3.433 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 67 5.372 -6.302 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.048 -4.687 -2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.414 -6.368 -2.135 1.00 0.00 H new ATOM 0 HG LEU A 67 5.294 -4.131 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.301 -4.241 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.123 -3.690 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.059 -5.361 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.108 -5.799 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.936 -6.979 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.249 -6.384 -1.411 1.00 0.00 H new ATOM 959 N PRO A 68 4.178 -6.581 -5.756 1.00 0.00 N ATOM 960 CA PRO A 68 3.389 -6.952 -6.934 1.00 0.00 C ATOM 961 C PRO A 68 2.224 -7.872 -6.586 1.00 0.00 C ATOM 962 O PRO A 68 1.306 -8.055 -7.385 1.00 0.00 O ATOM 963 CB PRO A 68 4.399 -7.681 -7.823 1.00 0.00 C ATOM 964 CG PRO A 68 5.425 -8.206 -6.878 1.00 0.00 C ATOM 965 CD PRO A 68 5.513 -7.202 -5.763 1.00 0.00 C ATOM 0 HA PRO A 68 2.933 -6.083 -7.408 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.925 -8.488 -8.381 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.843 -7.006 -8.554 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.140 -9.187 -6.498 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.388 -8.324 -7.374 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.739 -7.679 -4.810 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.297 -6.467 -5.945 1.00 0.00 H new ATOM 973 N GLN A 69 2.268 -8.447 -5.388 1.00 0.00 N ATOM 974 CA GLN A 69 1.215 -9.348 -4.935 1.00 0.00 C ATOM 975 C GLN A 69 0.141 -8.587 -4.164 1.00 0.00 C ATOM 976 O GLN A 69 -0.668 -9.183 -3.453 1.00 0.00 O ATOM 977 CB GLN A 69 1.804 -10.453 -4.056 1.00 0.00 C ATOM 978 CG GLN A 69 2.299 -9.958 -2.707 1.00 0.00 C ATOM 979 CD GLN A 69 3.304 -10.900 -2.073 1.00 0.00 C ATOM 980 OE1 GLN A 69 3.035 -12.090 -1.903 1.00 0.00 O ATOM 981 NE2 GLN A 69 4.470 -10.372 -1.720 1.00 0.00 N ATOM 0 H GLN A 69 3.021 -8.305 -4.715 1.00 0.00 H new ATOM 0 HA GLN A 69 0.754 -9.799 -5.814 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.047 -11.221 -3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.631 -10.926 -4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.755 -8.975 -2.830 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.449 -9.834 -2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.650 -9.381 -1.880 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.186 -10.958 -1.289 1.00 0.00 H new ATOM 990 N VAL A 70 0.140 -7.266 -4.310 1.00 0.00 N ATOM 991 CA VAL A 70 -0.835 -6.423 -3.628 1.00 0.00 C ATOM 992 C VAL A 70 -1.539 -5.492 -4.609 1.00 0.00 C ATOM 993 O VAL A 70 -0.908 -4.912 -5.492 1.00 0.00 O ATOM 994 CB VAL A 70 -0.172 -5.579 -2.523 1.00 0.00 C ATOM 995 CG1 VAL A 70 -1.177 -4.614 -1.912 1.00 0.00 C ATOM 996 CG2 VAL A 70 0.432 -6.479 -1.456 1.00 0.00 C ATOM 0 H VAL A 70 0.803 -6.757 -4.894 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.568 -7.091 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 70 0.632 -4.994 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.690 -4.026 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.558 -3.947 -2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.004 -5.176 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.896 -5.866 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.352 -7.092 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.185 -7.125 -1.908 1.00 0.00 H new ATOM 1006 N SER A 71 -2.851 -5.355 -4.448 1.00 0.00 N ATOM 1007 CA SER A 71 -3.643 -4.497 -5.323 1.00 0.00 C ATOM 1008 C SER A 71 -3.945 -3.163 -4.646 1.00 0.00 C ATOM 1009 O SER A 71 -4.632 -3.113 -3.625 1.00 0.00 O ATOM 1010 CB SER A 71 -4.949 -5.193 -5.710 1.00 0.00 C ATOM 1011 OG SER A 71 -5.632 -4.471 -6.720 1.00 0.00 O ATOM 0 H SER A 71 -3.388 -5.827 -3.720 1.00 0.00 H new ATOM 0 HA SER A 71 -3.062 -4.304 -6.225 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.736 -6.203 -6.061 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.588 -5.289 -4.832 1.00 0.00 H new ATOM 0 HG SER A 71 -5.597 -4.973 -7.561 1.00 0.00 H new ATOM 1017 N PHE A 72 -3.427 -2.084 -5.223 1.00 0.00 N ATOM 1018 CA PHE A 72 -3.640 -0.748 -4.676 1.00 0.00 C ATOM 1019 C PHE A 72 -4.660 0.024 -5.508 1.00 0.00 C ATOM 1020 O PHE A 72 -4.443 0.285 -6.691 1.00 0.00 O ATOM 1021 CB PHE A 72 -2.319 0.022 -4.625 1.00 0.00 C ATOM 1022 CG PHE A 72 -1.352 -0.514 -3.608 1.00 0.00 C ATOM 1023 CD1 PHE A 72 -1.382 -0.061 -2.299 1.00 0.00 C ATOM 1024 CD2 PHE A 72 -0.413 -1.470 -3.961 1.00 0.00 C ATOM 1025 CE1 PHE A 72 -0.493 -0.552 -1.360 1.00 0.00 C ATOM 1026 CE2 PHE A 72 0.477 -1.964 -3.027 1.00 0.00 C ATOM 1027 CZ PHE A 72 0.438 -1.504 -1.726 1.00 0.00 C ATOM 0 H PHE A 72 -2.857 -2.108 -6.069 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.029 -0.855 -3.664 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.852 -0.008 -5.610 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.526 1.069 -4.402 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.108 0.684 -2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.377 -1.833 -4.978 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.527 -0.192 -0.342 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.203 -2.710 -3.315 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.135 -1.888 -0.995 1.00 0.00 H new ATOM 1037 N VAL A 73 -5.775 0.386 -4.880 1.00 0.00 N ATOM 1038 CA VAL A 73 -6.829 1.128 -5.561 1.00 0.00 C ATOM 1039 C VAL A 73 -7.199 2.390 -4.789 1.00 0.00 C ATOM 1040 O VAL A 73 -7.280 2.378 -3.561 1.00 0.00 O ATOM 1041 CB VAL A 73 -8.091 0.266 -5.749 1.00 0.00 C ATOM 1042 CG1 VAL A 73 -7.783 -0.951 -6.609 1.00 0.00 C ATOM 1043 CG2 VAL A 73 -8.655 -0.154 -4.400 1.00 0.00 C ATOM 0 H VAL A 73 -5.971 0.177 -3.901 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.439 1.405 -6.540 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.845 0.863 -6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.687 -1.548 -6.731 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.429 -0.625 -7.587 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.013 -1.552 -6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.547 -0.762 -4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.908 -0.734 -3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.915 0.733 -3.822 1.00 0.00 H new ATOM 1053 N LYS A 74 -7.423 3.478 -5.518 1.00 0.00 N ATOM 1054 CA LYS A 74 -7.786 4.749 -4.904 1.00 0.00 C ATOM 1055 C LYS A 74 -9.160 5.210 -5.379 1.00 0.00 C ATOM 1056 O LYS A 74 -9.348 5.526 -6.555 1.00 0.00 O ATOM 1057 CB LYS A 74 -6.738 5.815 -5.230 1.00 0.00 C ATOM 1058 CG LYS A 74 -6.488 5.987 -6.718 1.00 0.00 C ATOM 1059 CD LYS A 74 -5.063 6.437 -6.995 1.00 0.00 C ATOM 1060 CE LYS A 74 -4.888 7.925 -6.734 1.00 0.00 C ATOM 1061 NZ LYS A 74 -4.484 8.197 -5.327 1.00 0.00 N ATOM 0 H LYS A 74 -7.359 3.505 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.824 4.604 -3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.060 6.769 -4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.800 5.552 -4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.679 5.045 -7.231 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.187 6.719 -7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.374 5.873 -6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.805 6.215 -8.031 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.135 8.327 -7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.822 8.444 -6.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.114 8.917 -4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.552 7.321 -4.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.504 8.544 -5.308 1.00 0.00 H new ATOM 1075 N LEU A 75 -10.118 5.247 -4.459 1.00 0.00 N ATOM 1076 CA LEU A 75 -11.475 5.672 -4.785 1.00 0.00 C ATOM 1077 C LEU A 75 -11.761 7.061 -4.224 1.00 0.00 C ATOM 1078 O LEU A 75 -11.356 7.385 -3.108 1.00 0.00 O ATOM 1079 CB LEU A 75 -12.490 4.669 -4.234 1.00 0.00 C ATOM 1080 CG LEU A 75 -13.942 5.146 -4.176 1.00 0.00 C ATOM 1081 CD1 LEU A 75 -14.896 3.970 -4.317 1.00 0.00 C ATOM 1082 CD2 LEU A 75 -14.206 5.896 -2.879 1.00 0.00 C ATOM 0 H LEU A 75 -9.980 4.988 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.565 5.713 -5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.449 3.768 -4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.181 4.386 -3.228 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.113 5.829 -5.008 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.924 4.329 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.724 3.475 -5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.724 3.262 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.244 6.228 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.017 5.236 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.547 6.762 -2.819 1.00 0.00 H new ATOM 1094 N GLU A 76 -12.461 7.877 -5.006 1.00 0.00 N ATOM 1095 CA GLU A 76 -12.801 9.231 -4.586 1.00 0.00 C ATOM 1096 C GLU A 76 -14.084 9.238 -3.760 1.00 0.00 C ATOM 1097 O GLU A 76 -15.166 8.952 -4.271 1.00 0.00 O ATOM 1098 CB GLU A 76 -12.962 10.142 -5.805 1.00 0.00 C ATOM 1099 CG GLU A 76 -12.605 11.593 -5.532 1.00 0.00 C ATOM 1100 CD GLU A 76 -12.729 12.467 -6.765 1.00 0.00 C ATOM 1101 OE1 GLU A 76 -12.402 11.983 -7.869 1.00 0.00 O ATOM 1102 OE2 GLU A 76 -13.152 13.633 -6.626 1.00 0.00 O ATOM 0 H GLU A 76 -12.803 7.624 -5.933 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.987 9.606 -3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.333 9.768 -6.613 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.994 10.090 -6.153 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.256 11.982 -4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.584 11.647 -5.154 1.00 0.00 H new ATOM 1109 N ALA A 77 -13.954 9.567 -2.479 1.00 0.00 N ATOM 1110 CA ALA A 77 -15.102 9.614 -1.581 1.00 0.00 C ATOM 1111 C ALA A 77 -16.245 10.415 -2.194 1.00 0.00 C ATOM 1112 O ALA A 77 -17.400 9.991 -2.161 1.00 0.00 O ATOM 1113 CB ALA A 77 -14.699 10.206 -0.239 1.00 0.00 C ATOM 0 H ALA A 77 -13.065 9.805 -2.039 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.452 8.594 -1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.566 10.235 0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.920 9.590 0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.321 11.218 -0.386 1.00 0.00 H new ATOM 1119 N GLU A 78 -15.916 11.577 -2.751 1.00 0.00 N ATOM 1120 CA GLU A 78 -16.917 12.438 -3.369 1.00 0.00 C ATOM 1121 C GLU A 78 -17.307 11.916 -4.749 1.00 0.00 C ATOM 1122 O GLU A 78 -18.412 12.164 -5.229 1.00 0.00 O ATOM 1123 CB GLU A 78 -16.390 13.870 -3.483 1.00 0.00 C ATOM 1124 CG GLU A 78 -16.639 14.711 -2.243 1.00 0.00 C ATOM 1125 CD GLU A 78 -18.115 14.892 -1.947 1.00 0.00 C ATOM 1126 OE1 GLU A 78 -18.779 15.653 -2.682 1.00 0.00 O ATOM 1127 OE2 GLU A 78 -18.606 14.272 -0.980 1.00 0.00 O ATOM 0 H GLU A 78 -14.965 11.943 -2.787 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.803 12.434 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.319 13.839 -3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.859 14.354 -4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.156 14.241 -1.387 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.176 15.689 -2.373 1.00 0.00 H new ATOM 1134 N GLY A 79 -16.390 11.190 -5.381 1.00 0.00 N ATOM 1135 CA GLY A 79 -16.655 10.645 -6.700 1.00 0.00 C ATOM 1136 C GLY A 79 -17.644 9.497 -6.664 1.00 0.00 C ATOM 1137 O GLY A 79 -18.512 9.388 -7.530 1.00 0.00 O ATOM 0 H GLY A 79 -15.468 10.969 -5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -17.042 11.434 -7.345 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.720 10.301 -7.143 1.00 0.00 H new ATOM 1141 N VAL A 80 -17.512 8.635 -5.660 1.00 0.00 N ATOM 1142 CA VAL A 80 -18.400 7.488 -5.515 1.00 0.00 C ATOM 1143 C VAL A 80 -18.990 7.424 -4.111 1.00 0.00 C ATOM 1144 O VAL A 80 -18.509 6.696 -3.242 1.00 0.00 O ATOM 1145 CB VAL A 80 -17.665 6.168 -5.813 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -18.602 4.983 -5.633 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -17.082 6.188 -7.218 1.00 0.00 C ATOM 0 H VAL A 80 -16.798 8.710 -4.935 1.00 0.00 H new ATOM 0 HA VAL A 80 -19.205 7.617 -6.238 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.843 6.062 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -18.065 4.059 -5.848 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -18.967 4.960 -4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -19.446 5.080 -6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.566 5.247 -7.411 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.885 6.317 -7.943 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.376 7.014 -7.307 1.00 0.00 H new ATOM 1157 N PRO A 81 -20.057 8.203 -3.881 1.00 0.00 N ATOM 1158 CA PRO A 81 -20.737 8.252 -2.583 1.00 0.00 C ATOM 1159 C PRO A 81 -21.489 6.962 -2.274 1.00 0.00 C ATOM 1160 O PRO A 81 -21.843 6.701 -1.125 1.00 0.00 O ATOM 1161 CB PRO A 81 -21.716 9.418 -2.739 1.00 0.00 C ATOM 1162 CG PRO A 81 -21.967 9.509 -4.205 1.00 0.00 C ATOM 1163 CD PRO A 81 -20.683 9.096 -4.871 1.00 0.00 C ATOM 0 HA PRO A 81 -20.034 8.375 -1.759 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -22.640 9.235 -2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -21.293 10.345 -2.352 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.788 8.856 -4.502 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -22.246 10.523 -4.491 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -20.867 8.583 -5.815 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -20.051 9.956 -5.093 1.00 0.00 H new ATOM 1171 N GLU A 82 -21.729 6.160 -3.307 1.00 0.00 N ATOM 1172 CA GLU A 82 -22.440 4.898 -3.143 1.00 0.00 C ATOM 1173 C GLU A 82 -21.730 4.000 -2.133 1.00 0.00 C ATOM 1174 O GLU A 82 -22.343 3.508 -1.186 1.00 0.00 O ATOM 1175 CB GLU A 82 -22.559 4.176 -4.488 1.00 0.00 C ATOM 1176 CG GLU A 82 -23.606 3.075 -4.497 1.00 0.00 C ATOM 1177 CD GLU A 82 -24.995 3.594 -4.818 1.00 0.00 C ATOM 1178 OE1 GLU A 82 -25.389 4.631 -4.245 1.00 0.00 O ATOM 1179 OE2 GLU A 82 -25.687 2.961 -5.642 1.00 0.00 O ATOM 0 H GLU A 82 -21.442 6.362 -4.265 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.439 5.119 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -22.803 4.904 -5.261 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.591 3.747 -4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -23.326 2.319 -5.230 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -23.621 2.585 -3.523 1.00 0.00 H new ATOM 1186 N VAL A 83 -20.434 3.792 -2.344 1.00 0.00 N ATOM 1187 CA VAL A 83 -19.640 2.955 -1.453 1.00 0.00 C ATOM 1188 C VAL A 83 -19.419 3.639 -0.108 1.00 0.00 C ATOM 1189 O VAL A 83 -19.572 3.022 0.946 1.00 0.00 O ATOM 1190 CB VAL A 83 -18.272 2.614 -2.074 1.00 0.00 C ATOM 1191 CG1 VAL A 83 -17.420 1.828 -1.089 1.00 0.00 C ATOM 1192 CG2 VAL A 83 -18.455 1.839 -3.370 1.00 0.00 C ATOM 0 H VAL A 83 -19.912 4.192 -3.124 1.00 0.00 H new ATOM 0 HA VAL A 83 -20.202 2.033 -1.301 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.754 3.545 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.457 1.596 -1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -17.262 2.423 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.930 0.901 -0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.479 1.606 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.993 0.913 -3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.025 2.442 -4.077 1.00 0.00 H new ATOM 1202 N SER A 84 -19.058 4.917 -0.153 1.00 0.00 N ATOM 1203 CA SER A 84 -18.813 5.685 1.062 1.00 0.00 C ATOM 1204 C SER A 84 -19.959 5.514 2.054 1.00 0.00 C ATOM 1205 O SER A 84 -19.742 5.443 3.263 1.00 0.00 O ATOM 1206 CB SER A 84 -18.631 7.166 0.726 1.00 0.00 C ATOM 1207 OG SER A 84 -17.657 7.344 -0.288 1.00 0.00 O ATOM 0 H SER A 84 -18.929 5.443 -1.018 1.00 0.00 H new ATOM 0 HA SER A 84 -17.899 5.309 1.522 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.582 7.587 0.399 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.332 7.711 1.621 1.00 0.00 H new ATOM 0 HG SER A 84 -18.076 7.233 -1.167 1.00 0.00 H new ATOM 1213 N GLU A 85 -21.180 5.448 1.532 1.00 0.00 N ATOM 1214 CA GLU A 85 -22.361 5.286 2.372 1.00 0.00 C ATOM 1215 C GLU A 85 -22.327 3.949 3.107 1.00 0.00 C ATOM 1216 O GLU A 85 -22.358 3.903 4.337 1.00 0.00 O ATOM 1217 CB GLU A 85 -23.633 5.382 1.526 1.00 0.00 C ATOM 1218 CG GLU A 85 -24.166 6.799 1.387 1.00 0.00 C ATOM 1219 CD GLU A 85 -25.135 6.947 0.230 1.00 0.00 C ATOM 1220 OE1 GLU A 85 -26.084 6.140 0.145 1.00 0.00 O ATOM 1221 OE2 GLU A 85 -24.944 7.869 -0.590 1.00 0.00 O ATOM 0 H GLU A 85 -21.377 5.504 0.533 1.00 0.00 H new ATOM 0 HA GLU A 85 -22.362 6.088 3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -23.430 4.980 0.533 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -24.405 4.755 1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -24.664 7.088 2.312 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -23.331 7.485 1.247 1.00 0.00 H new ATOM 1228 N LYS A 86 -22.264 2.863 2.345 1.00 0.00 N ATOM 1229 CA LYS A 86 -22.224 1.524 2.922 1.00 0.00 C ATOM 1230 C LYS A 86 -21.314 1.485 4.145 1.00 0.00 C ATOM 1231 O LYS A 86 -21.762 1.200 5.256 1.00 0.00 O ATOM 1232 CB LYS A 86 -21.741 0.512 1.881 1.00 0.00 C ATOM 1233 CG LYS A 86 -21.846 -0.931 2.341 1.00 0.00 C ATOM 1234 CD LYS A 86 -20.615 -1.358 3.123 1.00 0.00 C ATOM 1235 CE LYS A 86 -20.621 -2.854 3.398 1.00 0.00 C ATOM 1236 NZ LYS A 86 -20.115 -3.634 2.234 1.00 0.00 N ATOM 0 H LYS A 86 -22.239 2.883 1.325 1.00 0.00 H new ATOM 0 HA LYS A 86 -23.234 1.260 3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.323 0.637 0.968 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.703 0.730 1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -22.733 -1.052 2.963 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -21.972 -1.581 1.476 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.718 -1.093 2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.575 -0.814 4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -20.005 -3.065 4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.635 -3.175 3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -20.229 -4.651 2.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -20.654 -3.376 1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -19.108 -3.421 2.085 1.00 0.00 H new ATOM 1250 N TYR A 87 -20.035 1.776 3.934 1.00 0.00 N ATOM 1251 CA TYR A 87 -19.062 1.773 5.020 1.00 0.00 C ATOM 1252 C TYR A 87 -19.144 3.064 5.829 1.00 0.00 C ATOM 1253 O TYR A 87 -18.589 3.159 6.923 1.00 0.00 O ATOM 1254 CB TYR A 87 -17.647 1.596 4.464 1.00 0.00 C ATOM 1255 CG TYR A 87 -17.438 0.281 3.748 1.00 0.00 C ATOM 1256 CD1 TYR A 87 -17.014 -0.848 4.438 1.00 0.00 C ATOM 1257 CD2 TYR A 87 -17.664 0.167 2.382 1.00 0.00 C ATOM 1258 CE1 TYR A 87 -16.821 -2.052 3.788 1.00 0.00 C ATOM 1259 CE2 TYR A 87 -17.474 -1.032 1.724 1.00 0.00 C ATOM 1260 CZ TYR A 87 -17.053 -2.139 2.432 1.00 0.00 C ATOM 1261 OH TYR A 87 -16.862 -3.336 1.780 1.00 0.00 O ATOM 0 H TYR A 87 -19.648 2.017 3.021 1.00 0.00 H new ATOM 0 HA TYR A 87 -19.294 0.937 5.680 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -17.431 2.413 3.776 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -16.932 1.672 5.283 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -16.832 -0.783 5.501 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -17.994 1.031 1.825 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -16.490 -2.920 4.339 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -17.654 -1.103 0.661 1.00 0.00 H new ATOM 0 HH TYR A 87 -15.932 -3.623 1.890 1.00 0.00 H new ATOM 1271 N GLU A 88 -19.843 4.054 5.282 1.00 0.00 N ATOM 1272 CA GLU A 88 -19.999 5.339 5.953 1.00 0.00 C ATOM 1273 C GLU A 88 -18.650 6.034 6.117 1.00 0.00 C ATOM 1274 O GLU A 88 -18.332 6.549 7.189 1.00 0.00 O ATOM 1275 CB GLU A 88 -20.657 5.149 7.321 1.00 0.00 C ATOM 1276 CG GLU A 88 -22.062 4.576 7.246 1.00 0.00 C ATOM 1277 CD GLU A 88 -22.541 4.029 8.577 1.00 0.00 C ATOM 1278 OE1 GLU A 88 -22.092 2.929 8.961 1.00 0.00 O ATOM 1279 OE2 GLU A 88 -23.363 4.701 9.234 1.00 0.00 O ATOM 0 H GLU A 88 -20.310 3.991 4.377 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.640 5.968 5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -20.036 4.488 7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.692 6.110 7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.749 5.352 6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -22.087 3.781 6.501 1.00 0.00 H new ATOM 1286 N ILE A 89 -17.863 6.045 5.047 1.00 0.00 N ATOM 1287 CA ILE A 89 -16.549 6.677 5.072 1.00 0.00 C ATOM 1288 C ILE A 89 -16.661 8.185 4.876 1.00 0.00 C ATOM 1289 O ILE A 89 -16.662 8.677 3.748 1.00 0.00 O ATOM 1290 CB ILE A 89 -15.625 6.097 3.985 1.00 0.00 C ATOM 1291 CG1 ILE A 89 -15.370 4.610 4.241 1.00 0.00 C ATOM 1292 CG2 ILE A 89 -14.312 6.865 3.941 1.00 0.00 C ATOM 1293 CD1 ILE A 89 -14.523 4.345 5.466 1.00 0.00 C ATOM 0 H ILE A 89 -18.112 5.624 4.152 1.00 0.00 H new ATOM 0 HA ILE A 89 -16.118 6.471 6.052 1.00 0.00 H new ATOM 0 HB ILE A 89 -16.117 6.201 3.018 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.327 4.100 4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.879 4.178 3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.670 6.443 3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.511 7.913 3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.814 6.790 4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.383 3.271 5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.552 4.827 5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -15.023 4.746 6.348 1.00 0.00 H new ATOM 1305 N SER A 90 -16.754 8.914 5.983 1.00 0.00 N ATOM 1306 CA SER A 90 -16.868 10.367 5.935 1.00 0.00 C ATOM 1307 C SER A 90 -15.595 11.030 6.452 1.00 0.00 C ATOM 1308 O SER A 90 -15.649 12.045 7.147 1.00 0.00 O ATOM 1309 CB SER A 90 -18.070 10.833 6.757 1.00 0.00 C ATOM 1310 OG SER A 90 -17.797 10.761 8.146 1.00 0.00 O ATOM 0 H SER A 90 -16.753 8.522 6.925 1.00 0.00 H new ATOM 0 HA SER A 90 -17.013 10.661 4.895 1.00 0.00 H new ATOM 0 HB2 SER A 90 -18.325 11.858 6.486 1.00 0.00 H new ATOM 0 HB3 SER A 90 -18.937 10.216 6.521 1.00 0.00 H new ATOM 0 HG SER A 90 -17.115 11.424 8.380 1.00 0.00 H new ATOM 1316 N SER A 91 -14.450 10.448 6.109 1.00 0.00 N ATOM 1317 CA SER A 91 -13.163 10.978 6.542 1.00 0.00 C ATOM 1318 C SER A 91 -12.041 10.493 5.629 1.00 0.00 C ATOM 1319 O SER A 91 -12.041 9.346 5.181 1.00 0.00 O ATOM 1320 CB SER A 91 -12.876 10.564 7.986 1.00 0.00 C ATOM 1321 OG SER A 91 -13.034 9.166 8.156 1.00 0.00 O ATOM 0 H SER A 91 -14.388 9.609 5.532 1.00 0.00 H new ATOM 0 HA SER A 91 -13.209 12.066 6.486 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.861 10.854 8.256 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.549 11.094 8.660 1.00 0.00 H new ATOM 0 HG SER A 91 -12.843 8.926 9.087 1.00 0.00 H new ATOM 1327 N VAL A 92 -11.084 11.375 5.357 1.00 0.00 N ATOM 1328 CA VAL A 92 -9.955 11.038 4.499 1.00 0.00 C ATOM 1329 C VAL A 92 -8.681 11.732 4.969 1.00 0.00 C ATOM 1330 O VAL A 92 -8.715 12.810 5.563 1.00 0.00 O ATOM 1331 CB VAL A 92 -10.228 11.427 3.034 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -11.376 10.607 2.468 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -10.520 12.916 2.925 1.00 0.00 C ATOM 0 H VAL A 92 -11.069 12.329 5.719 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.821 9.958 4.561 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.336 11.211 2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.554 10.896 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.122 9.548 2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.276 10.788 3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.711 13.174 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.396 13.160 3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.662 13.482 3.288 1.00 0.00 H new ATOM 1343 N PRO A 93 -7.529 11.100 4.698 1.00 0.00 N ATOM 1344 CA PRO A 93 -7.477 9.817 3.993 1.00 0.00 C ATOM 1345 C PRO A 93 -8.021 8.669 4.836 1.00 0.00 C ATOM 1346 O PRO A 93 -8.183 8.799 6.050 1.00 0.00 O ATOM 1347 CB PRO A 93 -5.983 9.620 3.723 1.00 0.00 C ATOM 1348 CG PRO A 93 -5.300 10.410 4.785 1.00 0.00 C ATOM 1349 CD PRO A 93 -6.189 11.591 5.060 1.00 0.00 C ATOM 0 HA PRO A 93 -8.090 9.823 3.092 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.707 8.567 3.773 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.710 9.974 2.729 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.157 9.812 5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.312 10.733 4.456 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.141 11.895 6.106 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.903 12.457 4.463 1.00 0.00 H new ATOM 1357 N THR A 94 -8.302 7.543 4.186 1.00 0.00 N ATOM 1358 CA THR A 94 -8.828 6.373 4.877 1.00 0.00 C ATOM 1359 C THR A 94 -8.627 5.109 4.048 1.00 0.00 C ATOM 1360 O THR A 94 -9.191 4.971 2.963 1.00 0.00 O ATOM 1361 CB THR A 94 -10.327 6.534 5.192 1.00 0.00 C ATOM 1362 OG1 THR A 94 -10.526 7.643 6.075 1.00 0.00 O ATOM 1363 CG2 THR A 94 -10.886 5.268 5.826 1.00 0.00 C ATOM 0 H THR A 94 -8.174 7.418 3.182 1.00 0.00 H new ATOM 0 HA THR A 94 -8.276 6.283 5.812 1.00 0.00 H new ATOM 0 HB THR A 94 -10.855 6.716 4.256 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.933 8.385 5.581 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.946 5.406 6.040 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.760 4.431 5.139 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.353 5.060 6.754 1.00 0.00 H new ATOM 1371 N PHE A 95 -7.821 4.189 4.567 1.00 0.00 N ATOM 1372 CA PHE A 95 -7.545 2.936 3.874 1.00 0.00 C ATOM 1373 C PHE A 95 -8.425 1.812 4.414 1.00 0.00 C ATOM 1374 O PHE A 95 -8.741 1.771 5.604 1.00 0.00 O ATOM 1375 CB PHE A 95 -6.070 2.560 4.023 1.00 0.00 C ATOM 1376 CG PHE A 95 -5.128 3.641 3.576 1.00 0.00 C ATOM 1377 CD1 PHE A 95 -4.797 4.685 4.425 1.00 0.00 C ATOM 1378 CD2 PHE A 95 -4.574 3.614 2.306 1.00 0.00 C ATOM 1379 CE1 PHE A 95 -3.930 5.681 4.017 1.00 0.00 C ATOM 1380 CE2 PHE A 95 -3.707 4.607 1.892 1.00 0.00 C ATOM 1381 CZ PHE A 95 -3.385 5.643 2.748 1.00 0.00 C ATOM 0 H PHE A 95 -7.347 4.287 5.465 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.772 3.076 2.817 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.868 2.322 5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.874 1.656 3.446 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.222 4.721 5.417 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.823 2.808 1.632 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.679 6.488 4.689 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.281 4.574 0.900 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.709 6.421 2.426 1.00 0.00 H new ATOM 1391 N LEU A 96 -8.818 0.901 3.530 1.00 0.00 N ATOM 1392 CA LEU A 96 -9.662 -0.225 3.916 1.00 0.00 C ATOM 1393 C LEU A 96 -9.134 -1.529 3.325 1.00 0.00 C ATOM 1394 O LEU A 96 -9.224 -1.757 2.119 1.00 0.00 O ATOM 1395 CB LEU A 96 -11.102 0.010 3.457 1.00 0.00 C ATOM 1396 CG LEU A 96 -11.933 0.963 4.316 1.00 0.00 C ATOM 1397 CD1 LEU A 96 -13.337 1.106 3.749 1.00 0.00 C ATOM 1398 CD2 LEU A 96 -11.985 0.474 5.756 1.00 0.00 C ATOM 0 H LEU A 96 -8.566 0.920 2.542 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.643 -0.306 5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.079 0.398 2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.612 -0.953 3.420 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.456 1.943 4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.914 1.788 4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.281 1.502 2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.823 0.131 3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.581 1.164 6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.438 -0.517 5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.974 0.424 6.160 1.00 0.00 H new ATOM 1410 N PHE A 97 -8.585 -2.382 4.184 1.00 0.00 N ATOM 1411 CA PHE A 97 -8.044 -3.664 3.747 1.00 0.00 C ATOM 1412 C PHE A 97 -9.161 -4.681 3.533 1.00 0.00 C ATOM 1413 O PHE A 97 -9.974 -4.925 4.425 1.00 0.00 O ATOM 1414 CB PHE A 97 -7.044 -4.196 4.776 1.00 0.00 C ATOM 1415 CG PHE A 97 -5.953 -3.221 5.113 1.00 0.00 C ATOM 1416 CD1 PHE A 97 -6.153 -2.242 6.073 1.00 0.00 C ATOM 1417 CD2 PHE A 97 -4.728 -3.281 4.468 1.00 0.00 C ATOM 1418 CE1 PHE A 97 -5.151 -1.343 6.386 1.00 0.00 C ATOM 1419 CE2 PHE A 97 -3.723 -2.385 4.777 1.00 0.00 C ATOM 1420 CZ PHE A 97 -3.935 -1.414 5.736 1.00 0.00 C ATOM 0 H PHE A 97 -8.503 -2.209 5.186 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.531 -3.510 2.798 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.579 -4.459 5.688 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.595 -5.113 4.394 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.103 -2.181 6.583 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.557 -4.037 3.715 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.319 -0.586 7.138 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.772 -2.444 4.269 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.151 -0.711 5.977 1.00 0.00 H new ATOM 1430 N PHE A 98 -9.195 -5.271 2.342 1.00 0.00 N ATOM 1431 CA PHE A 98 -10.213 -6.261 2.009 1.00 0.00 C ATOM 1432 C PHE A 98 -9.571 -7.578 1.583 1.00 0.00 C ATOM 1433 O PHE A 98 -8.773 -7.620 0.646 1.00 0.00 O ATOM 1434 CB PHE A 98 -11.117 -5.736 0.892 1.00 0.00 C ATOM 1435 CG PHE A 98 -12.032 -4.629 1.331 1.00 0.00 C ATOM 1436 CD1 PHE A 98 -13.081 -4.883 2.201 1.00 0.00 C ATOM 1437 CD2 PHE A 98 -11.845 -3.335 0.874 1.00 0.00 C ATOM 1438 CE1 PHE A 98 -13.924 -3.867 2.608 1.00 0.00 C ATOM 1439 CE2 PHE A 98 -12.685 -2.314 1.278 1.00 0.00 C ATOM 1440 CZ PHE A 98 -13.726 -2.581 2.145 1.00 0.00 C ATOM 0 H PHE A 98 -8.530 -5.081 1.592 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.815 -6.442 2.900 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.496 -5.379 0.071 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -11.716 -6.559 0.504 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.241 -5.887 2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -11.034 -3.121 0.194 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -14.737 -4.078 3.287 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -12.527 -1.309 0.916 1.00 0.00 H new ATOM 0 HZ PHE A 98 -14.384 -1.785 2.461 1.00 0.00 H new ATOM 1450 N LYS A 99 -9.926 -8.654 2.278 1.00 0.00 N ATOM 1451 CA LYS A 99 -9.387 -9.974 1.973 1.00 0.00 C ATOM 1452 C LYS A 99 -10.507 -10.960 1.658 1.00 0.00 C ATOM 1453 O LYS A 99 -11.155 -11.486 2.562 1.00 0.00 O ATOM 1454 CB LYS A 99 -8.554 -10.491 3.149 1.00 0.00 C ATOM 1455 CG LYS A 99 -7.697 -11.697 2.803 1.00 0.00 C ATOM 1456 CD LYS A 99 -6.459 -11.295 2.020 1.00 0.00 C ATOM 1457 CE LYS A 99 -5.290 -10.987 2.943 1.00 0.00 C ATOM 1458 NZ LYS A 99 -4.849 -12.191 3.700 1.00 0.00 N ATOM 0 H LYS A 99 -10.585 -8.637 3.056 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.748 -9.884 1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.909 -9.688 3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.222 -10.754 3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.399 -12.208 3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.284 -12.406 2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.183 -12.098 1.337 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.682 -10.420 1.409 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.456 -10.601 2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.577 -10.203 3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.846 -12.091 3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.420 -12.287 4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.972 -13.037 3.108 1.00 0.00 H new ATOM 1472 N ASN A 100 -10.729 -11.205 0.371 1.00 0.00 N ATOM 1473 CA ASN A 100 -11.771 -12.129 -0.063 1.00 0.00 C ATOM 1474 C ASN A 100 -13.153 -11.500 0.089 1.00 0.00 C ATOM 1475 O ASN A 100 -14.109 -12.167 0.483 1.00 0.00 O ATOM 1476 CB ASN A 100 -11.698 -13.428 0.743 1.00 0.00 C ATOM 1477 CG ASN A 100 -12.213 -14.622 -0.036 1.00 0.00 C ATOM 1478 OD1 ASN A 100 -13.014 -14.475 -0.961 1.00 0.00 O ATOM 1479 ND2 ASN A 100 -11.756 -15.812 0.334 1.00 0.00 N ATOM 0 H ASN A 100 -10.202 -10.777 -0.390 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.607 -12.354 -1.117 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.665 -13.610 1.041 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -12.279 -13.317 1.659 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -12.067 -16.652 -0.154 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -11.093 -15.886 1.106 1.00 0.00 H new ATOM 1486 N SER A 101 -13.249 -10.213 -0.227 1.00 0.00 N ATOM 1487 CA SER A 101 -14.512 -9.492 -0.123 1.00 0.00 C ATOM 1488 C SER A 101 -14.945 -9.362 1.334 1.00 0.00 C ATOM 1489 O SER A 101 -16.136 -9.385 1.643 1.00 0.00 O ATOM 1490 CB SER A 101 -15.599 -10.208 -0.927 1.00 0.00 C ATOM 1491 OG SER A 101 -16.779 -9.426 -1.000 1.00 0.00 O ATOM 0 H SER A 101 -12.467 -9.648 -0.557 1.00 0.00 H new ATOM 0 HA SER A 101 -14.366 -8.492 -0.531 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.234 -10.416 -1.933 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.824 -11.169 -0.465 1.00 0.00 H new ATOM 0 HG SER A 101 -17.052 -9.160 -0.097 1.00 0.00 H new ATOM 1497 N GLN A 102 -13.968 -9.225 2.225 1.00 0.00 N ATOM 1498 CA GLN A 102 -14.247 -9.091 3.650 1.00 0.00 C ATOM 1499 C GLN A 102 -13.211 -8.199 4.326 1.00 0.00 C ATOM 1500 O GLN A 102 -12.008 -8.437 4.220 1.00 0.00 O ATOM 1501 CB GLN A 102 -14.268 -10.467 4.318 1.00 0.00 C ATOM 1502 CG GLN A 102 -15.482 -11.304 3.950 1.00 0.00 C ATOM 1503 CD GLN A 102 -16.765 -10.768 4.554 1.00 0.00 C ATOM 1504 OE1 GLN A 102 -16.843 -9.602 4.941 1.00 0.00 O ATOM 1505 NE2 GLN A 102 -17.781 -11.620 4.637 1.00 0.00 N ATOM 0 H GLN A 102 -12.977 -9.204 1.985 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.227 -8.626 3.761 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.365 -11.010 4.040 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.241 -10.337 5.400 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -15.581 -11.336 2.865 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -15.327 -12.329 4.286 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.672 -12.578 4.304 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -18.670 -11.316 5.034 1.00 0.00 H new ATOM 1514 N LYS A 103 -13.686 -7.171 5.021 1.00 0.00 N ATOM 1515 CA LYS A 103 -12.802 -6.243 5.716 1.00 0.00 C ATOM 1516 C LYS A 103 -12.112 -6.927 6.892 1.00 0.00 C ATOM 1517 O LYS A 103 -12.770 -7.409 7.815 1.00 0.00 O ATOM 1518 CB LYS A 103 -13.591 -5.028 6.210 1.00 0.00 C ATOM 1519 CG LYS A 103 -12.713 -3.890 6.699 1.00 0.00 C ATOM 1520 CD LYS A 103 -13.543 -2.727 7.217 1.00 0.00 C ATOM 1521 CE LYS A 103 -14.149 -3.037 8.577 1.00 0.00 C ATOM 1522 NZ LYS A 103 -14.826 -1.849 9.166 1.00 0.00 N ATOM 0 H LYS A 103 -14.679 -6.959 5.118 1.00 0.00 H new ATOM 0 HA LYS A 103 -12.039 -5.911 5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.226 -4.664 5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.252 -5.339 7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.056 -4.250 7.491 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.073 -3.548 5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -12.918 -1.837 7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.338 -2.501 6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.866 -3.852 8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.367 -3.382 9.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.226 -2.101 10.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.136 -1.080 9.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.589 -1.535 8.533 1.00 0.00 H new ATOM 1536 N ILE A 104 -10.784 -6.964 6.853 1.00 0.00 N ATOM 1537 CA ILE A 104 -10.006 -7.586 7.916 1.00 0.00 C ATOM 1538 C ILE A 104 -9.311 -6.535 8.776 1.00 0.00 C ATOM 1539 O ILE A 104 -9.079 -6.747 9.966 1.00 0.00 O ATOM 1540 CB ILE A 104 -8.948 -8.550 7.349 1.00 0.00 C ATOM 1541 CG1 ILE A 104 -8.074 -7.834 6.317 1.00 0.00 C ATOM 1542 CG2 ILE A 104 -9.618 -9.767 6.730 1.00 0.00 C ATOM 1543 CD1 ILE A 104 -6.796 -8.574 5.991 1.00 0.00 C ATOM 0 H ILE A 104 -10.225 -6.570 6.096 1.00 0.00 H new ATOM 0 HA ILE A 104 -10.707 -8.150 8.531 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.310 -8.887 8.166 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.648 -7.695 5.401 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.824 -6.841 6.691 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -8.857 -10.439 6.334 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.201 -10.287 7.490 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.277 -9.448 5.922 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.226 -8.009 5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.201 -8.690 6.897 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.038 -9.557 5.587 1.00 0.00 H new ATOM 1555 N ASP A 105 -8.984 -5.402 8.165 1.00 0.00 N ATOM 1556 CA ASP A 105 -8.318 -4.315 8.875 1.00 0.00 C ATOM 1557 C ASP A 105 -8.771 -2.960 8.341 1.00 0.00 C ATOM 1558 O ASP A 105 -9.496 -2.883 7.349 1.00 0.00 O ATOM 1559 CB ASP A 105 -6.800 -4.448 8.745 1.00 0.00 C ATOM 1560 CG ASP A 105 -6.056 -3.476 9.639 1.00 0.00 C ATOM 1561 OD1 ASP A 105 -6.471 -3.305 10.804 1.00 0.00 O ATOM 1562 OD2 ASP A 105 -5.058 -2.886 9.174 1.00 0.00 O ATOM 0 H ASP A 105 -9.169 -5.212 7.180 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.591 -4.380 9.928 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.505 -5.467 8.995 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.511 -4.278 7.708 1.00 0.00 H new ATOM 1567 N ARG A 106 -8.339 -1.894 9.007 1.00 0.00 N ATOM 1568 CA ARG A 106 -8.702 -0.541 8.601 1.00 0.00 C ATOM 1569 C ARG A 106 -7.697 0.475 9.136 1.00 0.00 C ATOM 1570 O ARG A 106 -7.194 0.338 10.252 1.00 0.00 O ATOM 1571 CB ARG A 106 -10.107 -0.196 9.098 1.00 0.00 C ATOM 1572 CG ARG A 106 -10.454 1.278 8.968 1.00 0.00 C ATOM 1573 CD ARG A 106 -11.607 1.662 9.882 1.00 0.00 C ATOM 1574 NE ARG A 106 -12.272 2.885 9.441 1.00 0.00 N ATOM 1575 CZ ARG A 106 -13.251 3.474 10.117 1.00 0.00 C ATOM 1576 NH1 ARG A 106 -13.677 2.955 11.261 1.00 0.00 N ATOM 1577 NH2 ARG A 106 -13.806 4.585 9.651 1.00 0.00 N ATOM 0 H ARG A 106 -7.738 -1.941 9.830 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.689 -0.500 7.512 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.835 -0.783 8.538 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.196 -0.491 10.144 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.579 1.881 9.211 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.718 1.501 7.934 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -12.331 0.847 9.914 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.235 1.798 10.897 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.967 3.310 8.565 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -13.252 2.101 11.623 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -14.429 3.410 11.778 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.481 4.988 8.772 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.558 5.036 10.171 1.00 0.00 H new ATOM 1591 N LEU A 107 -7.410 1.494 8.334 1.00 0.00 N ATOM 1592 CA LEU A 107 -6.465 2.534 8.727 1.00 0.00 C ATOM 1593 C LEU A 107 -7.062 3.921 8.511 1.00 0.00 C ATOM 1594 O LEU A 107 -7.372 4.306 7.384 1.00 0.00 O ATOM 1595 CB LEU A 107 -5.165 2.396 7.932 1.00 0.00 C ATOM 1596 CG LEU A 107 -3.892 2.853 8.643 1.00 0.00 C ATOM 1597 CD1 LEU A 107 -2.681 2.671 7.741 1.00 0.00 C ATOM 1598 CD2 LEU A 107 -4.018 4.305 9.082 1.00 0.00 C ATOM 0 H LEU A 107 -7.818 1.623 7.408 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.249 2.413 9.788 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.044 1.350 7.650 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.265 2.965 7.008 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.754 2.236 9.531 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.784 3.002 8.265 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.579 1.618 7.477 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.811 3.262 6.834 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.102 4.613 9.587 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.181 4.936 8.209 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.861 4.407 9.766 1.00 0.00 H new ATOM 1610 N ASP A 108 -7.216 4.668 9.599 1.00 0.00 N ATOM 1611 CA ASP A 108 -7.772 6.014 9.529 1.00 0.00 C ATOM 1612 C ASP A 108 -6.672 7.064 9.652 1.00 0.00 C ATOM 1613 O ASP A 108 -5.740 6.912 10.441 1.00 0.00 O ATOM 1614 CB ASP A 108 -8.813 6.217 10.632 1.00 0.00 C ATOM 1615 CG ASP A 108 -9.525 7.551 10.517 1.00 0.00 C ATOM 1616 OD1 ASP A 108 -10.370 7.696 9.609 1.00 0.00 O ATOM 1617 OD2 ASP A 108 -9.238 8.448 11.336 1.00 0.00 O ATOM 0 H ASP A 108 -6.964 4.364 10.539 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.254 6.131 8.558 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.546 5.412 10.588 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -8.325 6.151 11.605 1.00 0.00 H new ATOM 1622 N GLY A 109 -6.786 8.129 8.864 1.00 0.00 N ATOM 1623 CA GLY A 109 -5.794 9.187 8.899 1.00 0.00 C ATOM 1624 C GLY A 109 -4.594 8.887 8.022 1.00 0.00 C ATOM 1625 O GLY A 109 -4.314 7.727 7.719 1.00 0.00 O ATOM 0 H GLY A 109 -7.548 8.278 8.202 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.252 10.121 8.575 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.461 9.335 9.926 1.00 0.00 H new ATOM 1629 N ALA A 110 -3.886 9.933 7.612 1.00 0.00 N ATOM 1630 CA ALA A 110 -2.710 9.775 6.765 1.00 0.00 C ATOM 1631 C ALA A 110 -1.514 9.281 7.573 1.00 0.00 C ATOM 1632 O ALA A 110 -0.926 10.031 8.353 1.00 0.00 O ATOM 1633 CB ALA A 110 -2.376 11.090 6.075 1.00 0.00 C ATOM 0 H ALA A 110 -4.106 10.900 7.852 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.937 9.026 6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.496 10.957 5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.219 11.402 5.459 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.174 11.854 6.826 1.00 0.00 H new ATOM 1639 N HIS A 111 -1.160 8.014 7.381 1.00 0.00 N ATOM 1640 CA HIS A 111 -0.033 7.420 8.092 1.00 0.00 C ATOM 1641 C HIS A 111 0.931 6.749 7.118 1.00 0.00 C ATOM 1642 O HIS A 111 0.579 5.776 6.453 1.00 0.00 O ATOM 1643 CB HIS A 111 -0.531 6.402 9.118 1.00 0.00 C ATOM 1644 CG HIS A 111 -1.366 7.005 10.205 1.00 0.00 C ATOM 1645 ND1 HIS A 111 -0.831 7.716 11.258 1.00 0.00 N ATOM 1646 CD2 HIS A 111 -2.706 7.003 10.397 1.00 0.00 C ATOM 1647 CE1 HIS A 111 -1.806 8.123 12.052 1.00 0.00 C ATOM 1648 NE2 HIS A 111 -2.954 7.704 11.551 1.00 0.00 N ATOM 0 H HIS A 111 -1.636 7.380 6.740 1.00 0.00 H new ATOM 0 HA HIS A 111 0.499 8.217 8.611 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -1.114 5.637 8.605 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.327 5.901 9.566 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.443 6.536 9.760 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.685 8.700 12.957 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.875 7.874 11.956 1.00 0.00 H new ATOM 1657 N ALA A 112 2.148 7.277 7.040 1.00 0.00 N ATOM 1658 CA ALA A 112 3.163 6.729 6.149 1.00 0.00 C ATOM 1659 C ALA A 112 3.632 5.359 6.628 1.00 0.00 C ATOM 1660 O ALA A 112 3.532 4.359 5.917 1.00 0.00 O ATOM 1661 CB ALA A 112 4.342 7.684 6.041 1.00 0.00 C ATOM 0 H ALA A 112 2.455 8.084 7.583 1.00 0.00 H new ATOM 0 HA ALA A 112 2.717 6.607 5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.092 7.262 5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 112 4.000 8.640 5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.779 7.835 7.028 1.00 0.00 H new ATOM 1667 N PRO A 113 4.156 5.310 7.862 1.00 0.00 N ATOM 1668 CA PRO A 113 4.651 4.068 8.463 1.00 0.00 C ATOM 1669 C PRO A 113 3.524 3.097 8.797 1.00 0.00 C ATOM 1670 O PRO A 113 3.613 1.905 8.504 1.00 0.00 O ATOM 1671 CB PRO A 113 5.344 4.545 9.742 1.00 0.00 C ATOM 1672 CG PRO A 113 4.673 5.831 10.079 1.00 0.00 C ATOM 1673 CD PRO A 113 4.306 6.464 8.765 1.00 0.00 C ATOM 0 HA PRO A 113 5.306 3.520 7.786 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.234 3.818 10.547 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.413 4.686 9.584 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.787 5.660 10.691 1.00 0.00 H new ATOM 0 HG3 PRO A 113 5.336 6.479 10.652 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.383 7.039 8.840 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.080 7.148 8.418 1.00 0.00 H new ATOM 1681 N GLU A 114 2.465 3.615 9.411 1.00 0.00 N ATOM 1682 CA GLU A 114 1.321 2.791 9.785 1.00 0.00 C ATOM 1683 C GLU A 114 0.785 2.025 8.579 1.00 0.00 C ATOM 1684 O GLU A 114 0.533 0.822 8.656 1.00 0.00 O ATOM 1685 CB GLU A 114 0.214 3.660 10.385 1.00 0.00 C ATOM 1686 CG GLU A 114 -0.697 2.910 11.342 1.00 0.00 C ATOM 1687 CD GLU A 114 -1.450 3.836 12.278 1.00 0.00 C ATOM 1688 OE1 GLU A 114 -0.847 4.298 13.268 1.00 0.00 O ATOM 1689 OE2 GLU A 114 -2.643 4.098 12.018 1.00 0.00 O ATOM 0 H GLU A 114 2.375 4.600 9.660 1.00 0.00 H new ATOM 0 HA GLU A 114 1.653 2.070 10.533 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.668 4.500 10.912 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.387 4.078 9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.412 2.319 10.769 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.103 2.210 11.930 1.00 0.00 H new ATOM 1696 N LEU A 115 0.612 2.730 7.467 1.00 0.00 N ATOM 1697 CA LEU A 115 0.106 2.118 6.244 1.00 0.00 C ATOM 1698 C LEU A 115 0.995 0.959 5.806 1.00 0.00 C ATOM 1699 O LEU A 115 0.523 -0.161 5.609 1.00 0.00 O ATOM 1700 CB LEU A 115 0.019 3.159 5.127 1.00 0.00 C ATOM 1701 CG LEU A 115 -0.590 2.680 3.808 1.00 0.00 C ATOM 1702 CD1 LEU A 115 -2.049 2.298 4.002 1.00 0.00 C ATOM 1703 CD2 LEU A 115 -0.455 3.753 2.738 1.00 0.00 C ATOM 0 H LEU A 115 0.815 3.726 7.387 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.892 1.729 6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.568 4.003 5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.023 3.532 4.926 1.00 0.00 H new ATOM 0 HG LEU A 115 -0.045 1.796 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.466 1.960 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.121 1.496 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.608 3.164 4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.894 3.395 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.974 4.656 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.600 3.978 2.580 1.00 0.00 H new ATOM 1715 N THR A 116 2.287 1.234 5.658 1.00 0.00 N ATOM 1716 CA THR A 116 3.244 0.215 5.245 1.00 0.00 C ATOM 1717 C THR A 116 3.191 -0.995 6.170 1.00 0.00 C ATOM 1718 O THR A 116 3.068 -2.133 5.716 1.00 0.00 O ATOM 1719 CB THR A 116 4.681 0.769 5.224 1.00 0.00 C ATOM 1720 OG1 THR A 116 4.758 1.898 4.347 1.00 0.00 O ATOM 1721 CG2 THR A 116 5.666 -0.299 4.772 1.00 0.00 C ATOM 0 H THR A 116 2.695 2.155 5.818 1.00 0.00 H new ATOM 0 HA THR A 116 2.966 -0.090 4.236 1.00 0.00 H new ATOM 0 HB THR A 116 4.943 1.077 6.236 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.385 2.686 4.795 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.674 0.115 4.765 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.626 -1.145 5.458 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.404 -0.634 3.768 1.00 0.00 H new ATOM 1729 N LYS A 117 3.284 -0.744 7.472 1.00 0.00 N ATOM 1730 CA LYS A 117 3.245 -1.813 8.463 1.00 0.00 C ATOM 1731 C LYS A 117 2.097 -2.776 8.180 1.00 0.00 C ATOM 1732 O LYS A 117 2.314 -3.963 7.938 1.00 0.00 O ATOM 1733 CB LYS A 117 3.099 -1.227 9.869 1.00 0.00 C ATOM 1734 CG LYS A 117 4.359 -0.550 10.381 1.00 0.00 C ATOM 1735 CD LYS A 117 4.039 0.513 11.418 1.00 0.00 C ATOM 1736 CE LYS A 117 5.304 1.155 11.966 1.00 0.00 C ATOM 1737 NZ LYS A 117 6.147 0.176 12.707 1.00 0.00 N ATOM 0 H LYS A 117 3.387 0.191 7.865 1.00 0.00 H new ATOM 0 HA LYS A 117 4.182 -2.366 8.402 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.283 -0.504 9.869 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.819 -2.024 10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 117 5.023 -1.297 10.817 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.894 -0.096 9.547 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.405 1.279 10.972 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.473 0.067 12.235 1.00 0.00 H new ATOM 0 HE2 LYS A 117 5.880 1.582 11.145 1.00 0.00 H new ATOM 0 HE3 LYS A 117 5.036 1.978 12.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.866 0.685 13.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 5.548 -0.382 13.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.617 -0.460 12.031 1.00 0.00 H new ATOM 1751 N LYS A 118 0.874 -2.256 8.210 1.00 0.00 N ATOM 1752 CA LYS A 118 -0.309 -3.069 7.954 1.00 0.00 C ATOM 1753 C LYS A 118 -0.229 -3.730 6.581 1.00 0.00 C ATOM 1754 O LYS A 118 -0.475 -4.928 6.443 1.00 0.00 O ATOM 1755 CB LYS A 118 -1.572 -2.210 8.045 1.00 0.00 C ATOM 1756 CG LYS A 118 -1.917 -1.782 9.461 1.00 0.00 C ATOM 1757 CD LYS A 118 -2.776 -0.530 9.472 1.00 0.00 C ATOM 1758 CE LYS A 118 -3.408 -0.299 10.836 1.00 0.00 C ATOM 1759 NZ LYS A 118 -4.736 -0.964 10.952 1.00 0.00 N ATOM 0 H LYS A 118 0.677 -1.275 8.409 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.353 -3.851 8.712 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.442 -1.321 7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.411 -2.767 7.628 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.444 -2.590 9.968 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -1.000 -1.600 10.020 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.167 0.333 9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.558 -0.617 8.718 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -2.743 -0.677 11.613 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.522 0.771 11.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -5.459 -0.256 11.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.980 -1.412 10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.698 -1.688 11.697 1.00 0.00 H new ATOM 1773 N VAL A 119 0.119 -2.941 5.569 1.00 0.00 N ATOM 1774 CA VAL A 119 0.234 -3.451 4.208 1.00 0.00 C ATOM 1775 C VAL A 119 1.097 -4.707 4.163 1.00 0.00 C ATOM 1776 O VAL A 119 0.670 -5.747 3.663 1.00 0.00 O ATOM 1777 CB VAL A 119 0.835 -2.394 3.262 1.00 0.00 C ATOM 1778 CG1 VAL A 119 1.007 -2.965 1.863 1.00 0.00 C ATOM 1779 CG2 VAL A 119 -0.037 -1.147 3.234 1.00 0.00 C ATOM 0 H VAL A 119 0.326 -1.947 5.666 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.775 -3.695 3.875 1.00 0.00 H new ATOM 0 HB VAL A 119 1.819 -2.114 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.433 -2.204 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.675 -3.826 1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.037 -3.275 1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.402 -0.411 2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.035 -1.409 2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.103 -0.727 4.238 1.00 0.00 H new ATOM 1789 N GLN A 120 2.314 -4.601 4.688 1.00 0.00 N ATOM 1790 CA GLN A 120 3.237 -5.729 4.707 1.00 0.00 C ATOM 1791 C GLN A 120 2.661 -6.892 5.508 1.00 0.00 C ATOM 1792 O GLN A 120 2.648 -8.032 5.045 1.00 0.00 O ATOM 1793 CB GLN A 120 4.582 -5.305 5.298 1.00 0.00 C ATOM 1794 CG GLN A 120 5.240 -4.155 4.551 1.00 0.00 C ATOM 1795 CD GLN A 120 6.751 -4.170 4.670 1.00 0.00 C ATOM 1796 OE1 GLN A 120 7.298 -4.204 5.773 1.00 0.00 O ATOM 1797 NE2 GLN A 120 7.435 -4.144 3.532 1.00 0.00 N ATOM 0 H GLN A 120 2.683 -3.746 5.105 1.00 0.00 H new ATOM 0 HA GLN A 120 3.387 -6.059 3.679 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.437 -5.015 6.339 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.256 -6.161 5.296 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.962 -4.204 3.498 1.00 0.00 H new ATOM 0 HG3 GLN A 120 4.858 -3.210 4.938 1.00 0.00 H new ATOM 0 HE21 GLN A 120 6.941 -4.116 2.640 1.00 0.00 H new ATOM 0 HE22 GLN A 120 8.455 -4.152 3.550 1.00 0.00 H new ATOM 1806 N ARG A 121 2.185 -6.595 6.713 1.00 0.00 N ATOM 1807 CA ARG A 121 1.608 -7.615 7.580 1.00 0.00 C ATOM 1808 C ARG A 121 0.528 -8.405 6.846 1.00 0.00 C ATOM 1809 O ARG A 121 0.652 -9.614 6.651 1.00 0.00 O ATOM 1810 CB ARG A 121 1.020 -6.974 8.838 1.00 0.00 C ATOM 1811 CG ARG A 121 0.266 -7.952 9.725 1.00 0.00 C ATOM 1812 CD ARG A 121 -0.715 -7.233 10.637 1.00 0.00 C ATOM 1813 NE ARG A 121 -1.374 -8.151 11.563 1.00 0.00 N ATOM 1814 CZ ARG A 121 -2.365 -7.793 12.371 1.00 0.00 C ATOM 1815 NH1 ARG A 121 -2.811 -6.544 12.367 1.00 0.00 N ATOM 1816 NH2 ARG A 121 -2.914 -8.685 13.186 1.00 0.00 N ATOM 0 H ARG A 121 2.188 -5.656 7.111 1.00 0.00 H new ATOM 0 HA ARG A 121 2.403 -8.302 7.869 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.826 -6.520 9.415 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.346 -6.169 8.544 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.271 -8.669 9.104 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.975 -8.520 10.327 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.188 -6.464 11.202 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.467 -6.726 10.033 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.055 -9.120 11.590 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -2.393 -5.855 11.742 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -3.572 -6.272 12.989 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.575 -9.647 13.192 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.675 -8.409 13.806 1.00 0.00 H new ATOM 1830 N HIS A 122 -0.532 -7.712 6.441 1.00 0.00 N ATOM 1831 CA HIS A 122 -1.635 -8.348 5.729 1.00 0.00 C ATOM 1832 C HIS A 122 -1.146 -8.990 4.434 1.00 0.00 C ATOM 1833 O HIS A 122 -1.489 -10.132 4.129 1.00 0.00 O ATOM 1834 CB HIS A 122 -2.730 -7.325 5.423 1.00 0.00 C ATOM 1835 CG HIS A 122 -3.260 -6.633 6.641 1.00 0.00 C ATOM 1836 ND1 HIS A 122 -3.696 -7.310 7.761 1.00 0.00 N ATOM 1837 CD2 HIS A 122 -3.422 -5.317 6.912 1.00 0.00 C ATOM 1838 CE1 HIS A 122 -4.105 -6.439 8.667 1.00 0.00 C ATOM 1839 NE2 HIS A 122 -3.948 -5.223 8.177 1.00 0.00 N ATOM 0 H HIS A 122 -0.650 -6.710 6.594 1.00 0.00 H new ATOM 0 HA HIS A 122 -2.047 -9.129 6.369 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -2.336 -6.578 4.734 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -3.553 -7.827 4.913 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -3.182 -4.494 6.255 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -4.500 -6.681 9.642 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -4.180 -4.355 8.660 1.00 0.00 H new ATOM 1848 N ALA A 123 -0.346 -8.248 3.677 1.00 0.00 N ATOM 1849 CA ALA A 123 0.190 -8.745 2.416 1.00 0.00 C ATOM 1850 C ALA A 123 0.459 -10.245 2.487 1.00 0.00 C ATOM 1851 O ALA A 123 0.276 -10.965 1.506 1.00 0.00 O ATOM 1852 CB ALA A 123 1.463 -7.996 2.051 1.00 0.00 C ATOM 0 H ALA A 123 -0.054 -7.300 3.915 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.555 -8.572 1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.852 -8.378 1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.243 -6.933 1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.207 -8.140 2.835 1.00 0.00 H new