USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 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 92 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 96 GLN :FLIP amide:sc= -0.233 F(o=-0.92,f=-0.23) USER MOD Set 2.1: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 33 ASN : amide:sc= -0.138 K(o=-1.6,f=-2.3) USER MOD Set 3.2: A 37 GLN : amide:sc= -1.42 K(o=-1.6,f=-4.8!) USER MOD Set 4.1: A 24 THR OG1 : rot -107:sc= 1.31 USER MOD Set 4.2: A 27 ASN : amide:sc= -0.457 K(o=0.85,f=-7.3!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.26 K(o=-0.26,f=-1.9!) USER MOD Single : A 35 TYR OH : rot 15:sc= -0.838 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.378 K(o=-0.38,f=-3.1!) USER MOD Single : A 45 TYR OH : rot 70:sc= -4.1! USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.369 K(o=-0.37,f=-3!) USER MOD Single : A 54 HIS :FLIP no HD1:sc= -3.11 F(o=-4.9!,f=-3.1) USER MOD Single : A 55 ASN : amide:sc= -0.0316 K(o=-0.032,f=-0.84) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -161:sc= -8.04! (180deg=-9.57!) USER MOD Single : A 63 THR OG1 : rot 170:sc= -0.759 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.195 X(o=-0.19,f=0) USER MOD Single : A 78 HIS : no HE2:sc=0.000966 X(o=0.00097,f=-0.02) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -2.88! C(o=-2.9!,f=-17!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -6.24! C(o=-6.2!,f=-13!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 70:sc= -3.35 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -4.48! C(o=-4.5!,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 276 N TRP A 23 -1.776 -9.935 0.832 1.00 0.00 N ATOM 277 CA TRP A 23 -1.970 -8.608 0.275 1.00 0.00 C ATOM 278 C TRP A 23 -0.592 -8.009 -0.011 1.00 0.00 C ATOM 279 O TRP A 23 0.040 -7.444 0.880 1.00 0.00 O ATOM 280 CB TRP A 23 -2.817 -7.740 1.207 1.00 0.00 C ATOM 281 CG TRP A 23 -4.323 -7.983 1.086 1.00 0.00 C ATOM 282 CD1 TRP A 23 -5.179 -8.352 2.049 1.00 0.00 C ATOM 283 CD2 TRP A 23 -5.121 -7.857 -0.110 1.00 0.00 C ATOM 284 NE1 TRP A 23 -6.465 -8.474 1.563 1.00 0.00 N ATOM 285 CE2 TRP A 23 -6.429 -8.163 0.209 1.00 0.00 C ATOM 286 CE3 TRP A 23 -4.751 -7.496 -1.417 1.00 0.00 C ATOM 287 CZ2 TRP A 23 -7.471 -8.140 -0.726 1.00 0.00 C ATOM 288 CZ3 TRP A 23 -5.804 -7.478 -2.340 1.00 0.00 C ATOM 289 CH2 TRP A 23 -7.125 -7.783 -2.035 1.00 0.00 C ATOM 0 HA TRP A 23 -2.528 -8.661 -0.660 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.511 -7.925 2.237 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.611 -6.691 0.997 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.898 -8.531 3.076 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.290 -8.743 2.099 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.735 -7.252 -1.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.487 -8.384 -0.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.573 -7.208 -3.360 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -7.882 -7.745 -2.805 1.00 0.00 H new ATOM 300 N THR A 24 -0.166 -8.153 -1.257 1.00 0.00 N ATOM 301 CA THR A 24 1.126 -7.633 -1.672 1.00 0.00 C ATOM 302 C THR A 24 0.981 -6.207 -2.204 1.00 0.00 C ATOM 303 O THR A 24 -0.059 -5.847 -2.753 1.00 0.00 O ATOM 304 CB THR A 24 1.722 -8.605 -2.692 1.00 0.00 C ATOM 305 OG1 THR A 24 1.018 -8.318 -3.897 1.00 0.00 O ATOM 306 CG2 THR A 24 1.365 -10.062 -2.391 1.00 0.00 C ATOM 0 H THR A 24 -0.693 -8.623 -1.993 1.00 0.00 H new ATOM 0 HA THR A 24 1.813 -7.563 -0.829 1.00 0.00 H new ATOM 0 HB THR A 24 2.806 -8.493 -2.709 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.384 -9.041 -4.086 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.813 -10.710 -3.145 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.746 -10.334 -1.407 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.282 -10.182 -2.407 1.00 0.00 H new ATOM 314 N LEU A 25 2.041 -5.431 -2.024 1.00 0.00 N ATOM 315 CA LEU A 25 2.045 -4.052 -2.479 1.00 0.00 C ATOM 316 C LEU A 25 1.224 -3.941 -3.766 1.00 0.00 C ATOM 317 O LEU A 25 0.442 -3.006 -3.930 1.00 0.00 O ATOM 318 CB LEU A 25 3.479 -3.537 -2.619 1.00 0.00 C ATOM 319 CG LEU A 25 4.141 -3.038 -1.333 1.00 0.00 C ATOM 320 CD1 LEU A 25 5.526 -3.661 -1.152 1.00 0.00 C ATOM 321 CD2 LEU A 25 4.191 -1.509 -1.301 1.00 0.00 C ATOM 0 H LEU A 25 2.903 -5.732 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 25 1.570 -3.407 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.093 -4.337 -3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.483 -2.724 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 25 3.532 -3.358 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.974 -3.290 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.433 -4.746 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.159 -3.392 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.666 -1.180 -0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.765 -1.146 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.178 -1.111 -1.350 1.00 0.00 H new ATOM 333 N GLU A 26 1.429 -4.910 -4.646 1.00 0.00 N ATOM 334 CA GLU A 26 0.718 -4.934 -5.913 1.00 0.00 C ATOM 335 C GLU A 26 -0.785 -5.087 -5.675 1.00 0.00 C ATOM 336 O GLU A 26 -1.559 -4.175 -5.960 1.00 0.00 O ATOM 337 CB GLU A 26 1.247 -6.049 -6.818 1.00 0.00 C ATOM 338 CG GLU A 26 1.952 -5.470 -8.046 1.00 0.00 C ATOM 339 CD GLU A 26 2.149 -6.541 -9.120 1.00 0.00 C ATOM 340 OE1 GLU A 26 2.621 -7.637 -8.749 1.00 0.00 O ATOM 341 OE2 GLU A 26 1.823 -6.240 -10.289 1.00 0.00 O ATOM 0 H GLU A 26 2.078 -5.685 -4.506 1.00 0.00 H new ATOM 0 HA GLU A 26 0.891 -3.986 -6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.940 -6.678 -6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.422 -6.687 -7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.365 -4.646 -8.452 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.919 -5.059 -7.755 1.00 0.00 H new ATOM 348 N ASN A 27 -1.154 -6.249 -5.154 1.00 0.00 N ATOM 349 CA ASN A 27 -2.551 -6.534 -4.874 1.00 0.00 C ATOM 350 C ASN A 27 -3.176 -5.338 -4.153 1.00 0.00 C ATOM 351 O ASN A 27 -4.141 -4.750 -4.639 1.00 0.00 O ATOM 352 CB ASN A 27 -2.693 -7.759 -3.970 1.00 0.00 C ATOM 353 CG ASN A 27 -2.028 -8.985 -4.599 1.00 0.00 C ATOM 354 OD1 ASN A 27 -1.244 -9.685 -3.979 1.00 0.00 O ATOM 355 ND2 ASN A 27 -2.383 -9.205 -5.861 1.00 0.00 N ATOM 0 H ASN A 27 -0.509 -7.004 -4.919 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.053 -6.727 -5.822 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.241 -7.554 -3.000 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.749 -7.964 -3.793 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.994 -9.999 -6.369 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.045 -8.580 -6.321 1.00 0.00 H new ATOM 362 N ALA A 28 -2.601 -5.015 -3.004 1.00 0.00 N ATOM 363 CA ALA A 28 -3.090 -3.900 -2.210 1.00 0.00 C ATOM 364 C ALA A 28 -3.509 -2.761 -3.142 1.00 0.00 C ATOM 365 O ALA A 28 -4.699 -2.499 -3.311 1.00 0.00 O ATOM 366 CB ALA A 28 -2.011 -3.471 -1.213 1.00 0.00 C ATOM 0 H ALA A 28 -1.801 -5.506 -2.604 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.967 -4.194 -1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.378 -2.635 -0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.770 -4.306 -0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.116 -3.166 -1.755 1.00 0.00 H new ATOM 372 N LYS A 29 -2.509 -2.115 -3.722 1.00 0.00 N ATOM 373 CA LYS A 29 -2.759 -1.011 -4.632 1.00 0.00 C ATOM 374 C LYS A 29 -3.943 -1.359 -5.537 1.00 0.00 C ATOM 375 O LYS A 29 -5.006 -0.750 -5.436 1.00 0.00 O ATOM 376 CB LYS A 29 -1.485 -0.649 -5.399 1.00 0.00 C ATOM 377 CG LYS A 29 -1.063 0.793 -5.111 1.00 0.00 C ATOM 378 CD LYS A 29 -0.262 1.374 -6.278 1.00 0.00 C ATOM 379 CE LYS A 29 -0.824 2.731 -6.708 1.00 0.00 C ATOM 380 NZ LYS A 29 -0.326 3.095 -8.053 1.00 0.00 N ATOM 0 H LYS A 29 -1.523 -2.335 -3.579 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.034 -0.115 -4.076 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.681 -1.330 -5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.652 -0.776 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.947 1.405 -4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.463 0.825 -4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.783 1.485 -5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.287 0.683 -7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.913 2.695 -6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.535 3.496 -5.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.717 4.018 -8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.712 3.150 -8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.623 2.373 -8.740 1.00 0.00 H new ATOM 394 N ALA A 30 -3.718 -2.338 -6.401 1.00 0.00 N ATOM 395 CA ALA A 30 -4.753 -2.775 -7.323 1.00 0.00 C ATOM 396 C ALA A 30 -6.106 -2.759 -6.609 1.00 0.00 C ATOM 397 O ALA A 30 -6.965 -1.935 -6.918 1.00 0.00 O ATOM 398 CB ALA A 30 -4.399 -4.160 -7.869 1.00 0.00 C ATOM 0 H ALA A 30 -2.834 -2.841 -6.482 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.821 -2.096 -8.173 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.175 -4.488 -8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.444 -4.112 -8.392 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.325 -4.868 -7.044 1.00 0.00 H new ATOM 404 N ARG A 31 -6.253 -3.679 -5.667 1.00 0.00 N ATOM 405 CA ARG A 31 -7.487 -3.781 -4.906 1.00 0.00 C ATOM 406 C ARG A 31 -8.063 -2.388 -4.641 1.00 0.00 C ATOM 407 O ARG A 31 -9.221 -2.121 -4.956 1.00 0.00 O ATOM 408 CB ARG A 31 -7.255 -4.492 -3.572 1.00 0.00 C ATOM 409 CG ARG A 31 -8.528 -4.496 -2.724 1.00 0.00 C ATOM 410 CD ARG A 31 -9.627 -5.326 -3.389 1.00 0.00 C ATOM 411 NE ARG A 31 -10.894 -5.187 -2.636 1.00 0.00 N ATOM 412 CZ ARG A 31 -12.028 -5.828 -2.947 1.00 0.00 C ATOM 413 NH1 ARG A 31 -12.062 -6.657 -4.000 1.00 0.00 N ATOM 414 NH2 ARG A 31 -13.129 -5.641 -2.207 1.00 0.00 N ATOM 0 H ARG A 31 -5.538 -4.361 -5.413 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.194 -4.364 -5.496 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.932 -5.517 -3.754 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.452 -3.996 -3.027 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.310 -4.900 -1.736 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.877 -3.473 -2.580 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.769 -4.998 -4.419 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.330 -6.374 -3.426 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.904 -4.563 -1.829 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.224 -6.799 -4.564 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.926 -7.145 -4.237 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.104 -5.010 -1.406 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.992 -6.130 -2.445 1.00 0.00 H new ATOM 428 N LEU A 32 -7.228 -1.538 -4.063 1.00 0.00 N ATOM 429 CA LEU A 32 -7.639 -0.179 -3.751 1.00 0.00 C ATOM 430 C LEU A 32 -8.410 0.401 -4.939 1.00 0.00 C ATOM 431 O LEU A 32 -9.565 0.799 -4.799 1.00 0.00 O ATOM 432 CB LEU A 32 -6.433 0.663 -3.330 1.00 0.00 C ATOM 433 CG LEU A 32 -6.750 1.975 -2.610 1.00 0.00 C ATOM 434 CD1 LEU A 32 -7.389 1.711 -1.245 1.00 0.00 C ATOM 435 CD2 LEU A 32 -5.503 2.854 -2.499 1.00 0.00 C ATOM 0 H LEU A 32 -6.268 -1.764 -3.802 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.316 -0.172 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.802 0.058 -2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.847 0.892 -4.220 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.479 2.524 -3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.604 2.660 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.316 1.153 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.703 1.131 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.756 3.780 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.733 2.324 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.130 3.084 -3.497 1.00 0.00 H new ATOM 447 N ASN A 33 -7.739 0.430 -6.081 1.00 0.00 N ATOM 448 CA ASN A 33 -8.346 0.955 -7.292 1.00 0.00 C ATOM 449 C ASN A 33 -9.654 0.210 -7.566 1.00 0.00 C ATOM 450 O ASN A 33 -10.595 0.782 -8.113 1.00 0.00 O ATOM 451 CB ASN A 33 -7.427 0.757 -8.499 1.00 0.00 C ATOM 452 CG ASN A 33 -8.095 1.251 -9.784 1.00 0.00 C ATOM 453 OD1 ASN A 33 -8.936 0.591 -10.370 1.00 0.00 O ATOM 454 ND2 ASN A 33 -7.674 2.447 -10.187 1.00 0.00 N ATOM 0 H ASN A 33 -6.781 0.098 -6.193 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.524 2.020 -7.146 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.492 1.295 -8.341 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.174 -0.299 -8.599 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.059 2.864 -11.034 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.966 2.947 -9.649 1.00 0.00 H new ATOM 461 N GLN A 34 -9.670 -1.055 -7.173 1.00 0.00 N ATOM 462 CA GLN A 34 -10.847 -1.884 -7.369 1.00 0.00 C ATOM 463 C GLN A 34 -11.953 -1.476 -6.393 1.00 0.00 C ATOM 464 O GLN A 34 -13.136 -1.597 -6.705 1.00 0.00 O ATOM 465 CB GLN A 34 -10.504 -3.368 -7.220 1.00 0.00 C ATOM 466 CG GLN A 34 -10.291 -4.022 -8.587 1.00 0.00 C ATOM 467 CD GLN A 34 -11.505 -4.862 -8.987 1.00 0.00 C ATOM 468 OE1 GLN A 34 -12.238 -5.375 -8.158 1.00 0.00 O ATOM 469 NE2 GLN A 34 -11.676 -4.974 -10.302 1.00 0.00 N ATOM 0 H GLN A 34 -8.887 -1.526 -6.720 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.211 -1.729 -8.385 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.603 -3.478 -6.616 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.308 -3.879 -6.690 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.113 -3.253 -9.338 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.402 -4.652 -8.558 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.025 -4.519 -10.942 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.458 -5.515 -10.670 1.00 0.00 H new ATOM 478 N TYR A 35 -11.527 -1.002 -5.232 1.00 0.00 N ATOM 479 CA TYR A 35 -12.466 -0.575 -4.208 1.00 0.00 C ATOM 480 C TYR A 35 -13.062 0.793 -4.546 1.00 0.00 C ATOM 481 O TYR A 35 -14.214 1.071 -4.216 1.00 0.00 O ATOM 482 CB TYR A 35 -11.657 -0.460 -2.915 1.00 0.00 C ATOM 483 CG TYR A 35 -12.405 0.230 -1.772 1.00 0.00 C ATOM 484 CD1 TYR A 35 -13.470 -0.402 -1.163 1.00 0.00 C ATOM 485 CD2 TYR A 35 -12.014 1.485 -1.351 1.00 0.00 C ATOM 486 CE1 TYR A 35 -14.173 0.248 -0.088 1.00 0.00 C ATOM 487 CE2 TYR A 35 -12.718 2.135 -0.276 1.00 0.00 C ATOM 488 CZ TYR A 35 -13.763 1.484 0.303 1.00 0.00 C ATOM 489 OH TYR A 35 -14.427 2.098 1.318 1.00 0.00 O ATOM 0 H TYR A 35 -10.544 -0.904 -4.977 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.290 -1.284 -4.124 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.363 -1.459 -2.592 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.740 0.092 -3.120 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -13.776 -1.384 -1.493 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -11.180 1.979 -1.828 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -15.008 -0.236 0.397 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.423 3.117 0.063 1.00 0.00 H new ATOM 0 HH TYR A 35 -14.982 1.442 1.790 1.00 0.00 H new ATOM 499 N PHE A 36 -12.251 1.610 -5.201 1.00 0.00 N ATOM 500 CA PHE A 36 -12.683 2.942 -5.588 1.00 0.00 C ATOM 501 C PHE A 36 -13.510 2.899 -6.875 1.00 0.00 C ATOM 502 O PHE A 36 -14.301 3.802 -7.139 1.00 0.00 O ATOM 503 CB PHE A 36 -11.420 3.769 -5.836 1.00 0.00 C ATOM 504 CG PHE A 36 -10.589 4.028 -4.577 1.00 0.00 C ATOM 505 CD1 PHE A 36 -11.166 3.929 -3.349 1.00 0.00 C ATOM 506 CD2 PHE A 36 -9.274 4.357 -4.686 1.00 0.00 C ATOM 507 CE1 PHE A 36 -10.395 4.169 -2.181 1.00 0.00 C ATOM 508 CE2 PHE A 36 -8.503 4.598 -3.518 1.00 0.00 C ATOM 509 CZ PHE A 36 -9.080 4.499 -2.290 1.00 0.00 C ATOM 0 H PHE A 36 -11.297 1.375 -5.474 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.304 3.373 -4.803 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.799 3.254 -6.569 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.705 4.726 -6.274 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.210 3.668 -3.262 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.816 4.435 -5.661 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.853 4.090 -1.206 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.459 4.860 -3.605 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.494 4.682 -1.402 1.00 0.00 H new ATOM 519 N GLN A 37 -13.298 1.839 -7.641 1.00 0.00 N ATOM 520 CA GLN A 37 -14.013 1.665 -8.893 1.00 0.00 C ATOM 521 C GLN A 37 -15.316 0.897 -8.659 1.00 0.00 C ATOM 522 O GLN A 37 -16.338 1.201 -9.271 1.00 0.00 O ATOM 523 CB GLN A 37 -13.139 0.958 -9.931 1.00 0.00 C ATOM 524 CG GLN A 37 -13.326 -0.559 -9.863 1.00 0.00 C ATOM 525 CD GLN A 37 -12.389 -1.271 -10.841 1.00 0.00 C ATOM 526 OE1 GLN A 37 -11.218 -1.488 -10.572 1.00 0.00 O ATOM 527 NE2 GLN A 37 -12.966 -1.621 -11.986 1.00 0.00 N ATOM 0 H GLN A 37 -12.641 1.092 -7.418 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.261 2.651 -9.286 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.393 1.315 -10.929 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.092 1.207 -9.760 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.132 -0.908 -8.849 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -14.360 -0.812 -10.095 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.951 -1.409 -12.147 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.424 -2.102 -12.704 1.00 0.00 H new ATOM 536 N LYS A 38 -15.235 -0.083 -7.771 1.00 0.00 N ATOM 537 CA LYS A 38 -16.395 -0.897 -7.448 1.00 0.00 C ATOM 538 C LYS A 38 -17.430 -0.036 -6.722 1.00 0.00 C ATOM 539 O LYS A 38 -18.564 0.096 -7.180 1.00 0.00 O ATOM 540 CB LYS A 38 -15.974 -2.143 -6.666 1.00 0.00 C ATOM 541 CG LYS A 38 -15.431 -3.222 -7.605 1.00 0.00 C ATOM 542 CD LYS A 38 -16.566 -3.907 -8.368 1.00 0.00 C ATOM 543 CE LYS A 38 -16.958 -5.226 -7.699 1.00 0.00 C ATOM 544 NZ LYS A 38 -16.758 -6.359 -8.630 1.00 0.00 N ATOM 0 H LYS A 38 -14.385 -0.332 -7.265 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.868 -1.265 -8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.212 -1.877 -5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.827 -2.534 -6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.731 -2.776 -8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.875 -3.963 -7.030 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.431 -3.246 -8.411 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.257 -4.094 -9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.360 -5.376 -6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.001 -5.185 -7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.029 -7.246 -8.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.347 -6.221 -9.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.757 -6.406 -8.909 1.00 0.00 H new ATOM 558 N GLU A 39 -17.004 0.527 -5.601 1.00 0.00 N ATOM 559 CA GLU A 39 -17.880 1.371 -4.807 1.00 0.00 C ATOM 560 C GLU A 39 -18.127 2.701 -5.522 1.00 0.00 C ATOM 561 O GLU A 39 -19.030 3.450 -5.154 1.00 0.00 O ATOM 562 CB GLU A 39 -17.302 1.600 -3.409 1.00 0.00 C ATOM 563 CG GLU A 39 -17.923 0.639 -2.394 1.00 0.00 C ATOM 564 CD GLU A 39 -19.285 1.148 -1.919 1.00 0.00 C ATOM 565 OE1 GLU A 39 -19.284 2.105 -1.115 1.00 0.00 O ATOM 566 OE2 GLU A 39 -20.297 0.570 -2.370 1.00 0.00 O ATOM 0 H GLU A 39 -16.063 0.415 -5.224 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.836 0.860 -4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.221 1.462 -3.432 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.485 2.629 -3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.036 -0.347 -2.844 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -17.255 0.525 -1.540 1.00 0.00 H new ATOM 573 N LYS A 40 -17.308 2.954 -6.533 1.00 0.00 N ATOM 574 CA LYS A 40 -17.427 4.180 -7.304 1.00 0.00 C ATOM 575 C LYS A 40 -16.882 5.349 -6.481 1.00 0.00 C ATOM 576 O LYS A 40 -17.283 6.494 -6.681 1.00 0.00 O ATOM 577 CB LYS A 40 -18.869 4.379 -7.775 1.00 0.00 C ATOM 578 CG LYS A 40 -18.957 4.337 -9.302 1.00 0.00 C ATOM 579 CD LYS A 40 -20.196 3.564 -9.759 1.00 0.00 C ATOM 580 CE LYS A 40 -21.157 4.473 -10.527 1.00 0.00 C ATOM 581 NZ LYS A 40 -21.902 5.347 -9.592 1.00 0.00 N ATOM 0 H LYS A 40 -16.560 2.331 -6.836 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.826 4.120 -8.211 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.505 3.603 -7.349 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.246 5.335 -7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.992 5.353 -9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.061 3.868 -9.709 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.895 2.729 -10.392 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.704 3.140 -8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.600 5.083 -11.239 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -21.856 3.868 -11.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.550 5.958 -10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -22.449 4.761 -8.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.231 5.937 -9.060 1.00 0.00 H new ATOM 595 N ILE A 41 -15.976 5.020 -5.572 1.00 0.00 N ATOM 596 CA ILE A 41 -15.372 6.028 -4.717 1.00 0.00 C ATOM 597 C ILE A 41 -14.222 6.703 -5.467 1.00 0.00 C ATOM 598 O ILE A 41 -13.765 6.200 -6.493 1.00 0.00 O ATOM 599 CB ILE A 41 -14.958 5.417 -3.377 1.00 0.00 C ATOM 600 CG1 ILE A 41 -16.179 4.925 -2.598 1.00 0.00 C ATOM 601 CG2 ILE A 41 -14.116 6.401 -2.562 1.00 0.00 C ATOM 602 CD1 ILE A 41 -15.793 3.817 -1.616 1.00 0.00 C ATOM 0 H ILE A 41 -15.645 4.069 -5.409 1.00 0.00 H new ATOM 0 HA ILE A 41 -16.096 6.806 -4.475 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.332 4.547 -3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.628 5.757 -2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -16.933 4.554 -3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.835 5.942 -1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.216 6.660 -3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.696 7.304 -2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.679 3.485 -1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.367 2.977 -2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -15.057 4.198 -0.908 1.00 0.00 H new ATOM 614 N GLN A 42 -13.786 7.831 -4.926 1.00 0.00 N ATOM 615 CA GLN A 42 -12.698 8.580 -5.531 1.00 0.00 C ATOM 616 C GLN A 42 -11.620 8.885 -4.489 1.00 0.00 C ATOM 617 O GLN A 42 -11.922 9.390 -3.409 1.00 0.00 O ATOM 618 CB GLN A 42 -13.212 9.865 -6.182 1.00 0.00 C ATOM 619 CG GLN A 42 -14.182 10.599 -5.254 1.00 0.00 C ATOM 620 CD GLN A 42 -15.620 10.490 -5.766 1.00 0.00 C ATOM 621 OE1 GLN A 42 -15.885 9.983 -6.843 1.00 0.00 O ATOM 622 NE2 GLN A 42 -16.529 10.993 -4.936 1.00 0.00 N ATOM 0 H GLN A 42 -14.167 8.245 -4.075 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.254 7.968 -6.316 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.372 10.516 -6.424 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.711 9.627 -7.121 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.117 10.180 -4.250 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.897 11.649 -5.181 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -16.238 11.403 -4.049 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -17.517 10.968 -5.187 1.00 0.00 H new ATOM 631 N GLY A 43 -10.385 8.567 -4.850 1.00 0.00 N ATOM 632 CA GLY A 43 -9.261 8.802 -3.960 1.00 0.00 C ATOM 633 C GLY A 43 -7.937 8.757 -4.725 1.00 0.00 C ATOM 634 O GLY A 43 -7.695 7.832 -5.500 1.00 0.00 O ATOM 0 H GLY A 43 -10.138 8.149 -5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.373 9.772 -3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.255 8.051 -3.170 1.00 0.00 H new ATOM 638 N GLU A 44 -7.115 9.767 -4.481 1.00 0.00 N ATOM 639 CA GLU A 44 -5.822 9.854 -5.138 1.00 0.00 C ATOM 640 C GLU A 44 -4.698 9.857 -4.099 1.00 0.00 C ATOM 641 O GLU A 44 -4.949 9.684 -2.907 1.00 0.00 O ATOM 642 CB GLU A 44 -5.744 11.092 -6.033 1.00 0.00 C ATOM 643 CG GLU A 44 -6.640 12.212 -5.500 1.00 0.00 C ATOM 644 CD GLU A 44 -6.574 13.445 -6.404 1.00 0.00 C ATOM 645 OE1 GLU A 44 -5.493 13.659 -6.993 1.00 0.00 O ATOM 646 OE2 GLU A 44 -7.606 14.144 -6.485 1.00 0.00 O ATOM 0 H GLU A 44 -7.319 10.532 -3.838 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.700 8.978 -5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.713 11.441 -6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.046 10.831 -7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.669 11.859 -5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.331 12.480 -4.490 1.00 0.00 H new ATOM 653 N TYR A 45 -3.483 10.057 -4.588 1.00 0.00 N ATOM 654 CA TYR A 45 -2.321 10.085 -3.717 1.00 0.00 C ATOM 655 C TYR A 45 -1.630 11.449 -3.769 1.00 0.00 C ATOM 656 O TYR A 45 -1.543 12.065 -4.830 1.00 0.00 O ATOM 657 CB TYR A 45 -1.363 9.021 -4.258 1.00 0.00 C ATOM 658 CG TYR A 45 -1.897 7.591 -4.151 1.00 0.00 C ATOM 659 CD1 TYR A 45 -2.949 7.186 -4.947 1.00 0.00 C ATOM 660 CD2 TYR A 45 -1.327 6.707 -3.258 1.00 0.00 C ATOM 661 CE1 TYR A 45 -3.451 5.840 -4.847 1.00 0.00 C ATOM 662 CE2 TYR A 45 -1.830 5.361 -3.157 1.00 0.00 C ATOM 663 CZ TYR A 45 -2.867 4.994 -3.957 1.00 0.00 C ATOM 664 OH TYR A 45 -3.341 3.723 -3.862 1.00 0.00 O ATOM 0 H TYR A 45 -3.278 10.201 -5.577 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.612 9.900 -2.683 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.146 9.240 -5.304 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.419 9.087 -3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.396 7.879 -5.645 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.504 7.024 -2.635 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.273 5.510 -5.465 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.394 4.659 -2.462 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.109 3.226 -4.674 1.00 0.00 H new ATOM 674 N LYS A 46 -1.157 11.881 -2.609 1.00 0.00 N ATOM 675 CA LYS A 46 -0.477 13.161 -2.508 1.00 0.00 C ATOM 676 C LYS A 46 1.021 12.923 -2.303 1.00 0.00 C ATOM 677 O LYS A 46 1.442 12.478 -1.237 1.00 0.00 O ATOM 678 CB LYS A 46 -1.117 14.024 -1.419 1.00 0.00 C ATOM 679 CG LYS A 46 -1.036 15.509 -1.777 1.00 0.00 C ATOM 680 CD LYS A 46 0.148 16.178 -1.077 1.00 0.00 C ATOM 681 CE LYS A 46 -0.026 17.698 -1.036 1.00 0.00 C ATOM 682 NZ LYS A 46 1.174 18.342 -0.457 1.00 0.00 N ATOM 0 H LYS A 46 -1.231 11.367 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.587 13.725 -3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.160 13.735 -1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.614 13.848 -0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.936 15.621 -2.857 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.962 16.007 -1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.241 15.792 -0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.072 15.928 -1.599 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.199 18.077 -2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.905 17.953 -0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.039 19.373 -0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.322 17.993 0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.005 18.113 -1.038 1.00 0.00 H new ATOM 696 N TYR A 47 1.783 13.231 -3.342 1.00 0.00 N ATOM 697 CA TYR A 47 3.225 13.056 -3.290 1.00 0.00 C ATOM 698 C TYR A 47 3.914 14.328 -2.791 1.00 0.00 C ATOM 699 O TYR A 47 3.755 15.396 -3.380 1.00 0.00 O ATOM 700 CB TYR A 47 3.669 12.780 -4.727 1.00 0.00 C ATOM 701 CG TYR A 47 2.972 11.582 -5.375 1.00 0.00 C ATOM 702 CD1 TYR A 47 3.358 10.298 -5.045 1.00 0.00 C ATOM 703 CD2 TYR A 47 1.958 11.784 -6.289 1.00 0.00 C ATOM 704 CE1 TYR A 47 2.703 9.170 -5.655 1.00 0.00 C ATOM 705 CE2 TYR A 47 1.302 10.656 -6.898 1.00 0.00 C ATOM 706 CZ TYR A 47 1.707 9.405 -6.551 1.00 0.00 C ATOM 707 OH TYR A 47 1.088 8.340 -7.127 1.00 0.00 O ATOM 0 H TYR A 47 1.430 13.601 -4.225 1.00 0.00 H new ATOM 0 HA TYR A 47 3.489 12.247 -2.609 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.481 13.667 -5.331 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.746 12.610 -4.737 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.151 10.140 -4.329 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.656 12.788 -6.548 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.996 8.161 -5.407 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.506 10.800 -7.614 1.00 0.00 H new ATOM 0 HH TYR A 47 0.397 8.658 -7.745 1.00 0.00 H new ATOM 717 N THR A 48 4.664 14.171 -1.710 1.00 0.00 N ATOM 718 CA THR A 48 5.378 15.294 -1.125 1.00 0.00 C ATOM 719 C THR A 48 6.888 15.108 -1.286 1.00 0.00 C ATOM 720 O THR A 48 7.465 14.177 -0.725 1.00 0.00 O ATOM 721 CB THR A 48 4.934 15.429 0.332 1.00 0.00 C ATOM 722 OG1 THR A 48 3.558 15.789 0.244 1.00 0.00 O ATOM 723 CG2 THR A 48 5.586 16.621 1.036 1.00 0.00 C ATOM 0 H THR A 48 4.793 13.284 -1.224 1.00 0.00 H new ATOM 0 HA THR A 48 5.141 16.225 -1.639 1.00 0.00 H new ATOM 0 HB THR A 48 5.176 14.513 0.871 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.189 15.895 1.146 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.236 16.670 2.067 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.669 16.502 1.026 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.317 17.541 0.517 1.00 0.00 H new ATOM 731 N GLN A 49 7.485 16.007 -2.054 1.00 0.00 N ATOM 732 CA GLN A 49 8.916 15.954 -2.295 1.00 0.00 C ATOM 733 C GLN A 49 9.678 16.514 -1.092 1.00 0.00 C ATOM 734 O GLN A 49 9.468 17.660 -0.698 1.00 0.00 O ATOM 735 CB GLN A 49 9.285 16.705 -3.576 1.00 0.00 C ATOM 736 CG GLN A 49 10.785 16.601 -3.860 1.00 0.00 C ATOM 737 CD GLN A 49 11.491 17.928 -3.573 1.00 0.00 C ATOM 738 OE1 GLN A 49 10.874 18.936 -3.269 1.00 0.00 O ATOM 739 NE2 GLN A 49 12.815 17.872 -3.685 1.00 0.00 N ATOM 0 H GLN A 49 7.003 16.777 -2.518 1.00 0.00 H new ATOM 0 HA GLN A 49 9.204 14.911 -2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.723 16.297 -4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.001 17.753 -3.482 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.221 15.813 -3.246 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.943 16.319 -4.901 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.268 16.996 -3.943 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.377 18.706 -3.513 1.00 0.00 H new ATOM 748 N VAL A 50 10.549 15.680 -0.542 1.00 0.00 N ATOM 749 CA VAL A 50 11.343 16.078 0.608 1.00 0.00 C ATOM 750 C VAL A 50 12.825 15.850 0.302 1.00 0.00 C ATOM 751 O VAL A 50 13.170 15.309 -0.748 1.00 0.00 O ATOM 752 CB VAL A 50 10.868 15.331 1.855 1.00 0.00 C ATOM 753 CG1 VAL A 50 9.482 15.812 2.289 1.00 0.00 C ATOM 754 CG2 VAL A 50 10.877 13.818 1.625 1.00 0.00 C ATOM 0 H VAL A 50 10.722 14.730 -0.872 1.00 0.00 H new ATOM 0 HA VAL A 50 11.213 17.141 0.813 1.00 0.00 H new ATOM 0 HB VAL A 50 11.566 15.551 2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.169 15.264 3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.521 16.878 2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.768 15.637 1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.535 13.311 2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.213 13.572 0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.890 13.492 1.387 1.00 0.00 H new ATOM 764 N GLY A 51 13.661 16.275 1.237 1.00 0.00 N ATOM 765 CA GLY A 51 15.098 16.125 1.080 1.00 0.00 C ATOM 766 C GLY A 51 15.606 16.928 -0.119 1.00 0.00 C ATOM 767 O GLY A 51 14.821 17.553 -0.829 1.00 0.00 O ATOM 0 H GLY A 51 13.371 16.723 2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.603 16.459 1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.345 15.072 0.948 1.00 0.00 H new ATOM 771 N PRO A 52 16.952 16.882 -0.312 1.00 0.00 N ATOM 772 CA PRO A 52 17.574 17.598 -1.413 1.00 0.00 C ATOM 773 C PRO A 52 17.324 16.883 -2.743 1.00 0.00 C ATOM 774 O PRO A 52 16.961 15.708 -2.761 1.00 0.00 O ATOM 775 CB PRO A 52 19.047 17.676 -1.048 1.00 0.00 C ATOM 776 CG PRO A 52 19.273 16.605 0.006 1.00 0.00 C ATOM 777 CD PRO A 52 17.913 16.152 0.509 1.00 0.00 C ATOM 0 HA PRO A 52 17.159 18.596 -1.555 1.00 0.00 H new ATOM 0 HB2 PRO A 52 19.675 17.503 -1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 52 19.302 18.663 -0.663 1.00 0.00 H new ATOM 0 HG2 PRO A 52 19.823 15.764 -0.416 1.00 0.00 H new ATOM 0 HG3 PRO A 52 19.872 16.998 0.827 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.789 15.075 0.400 1.00 0.00 H new ATOM 0 HD3 PRO A 52 17.785 16.382 1.567 1.00 0.00 H new ATOM 785 N ASP A 53 17.528 17.622 -3.823 1.00 0.00 N ATOM 786 CA ASP A 53 17.330 17.074 -5.154 1.00 0.00 C ATOM 787 C ASP A 53 18.244 15.861 -5.342 1.00 0.00 C ATOM 788 O ASP A 53 17.778 14.776 -5.689 1.00 0.00 O ATOM 789 CB ASP A 53 17.680 18.102 -6.231 1.00 0.00 C ATOM 790 CG ASP A 53 16.523 19.002 -6.666 1.00 0.00 C ATOM 791 OD1 ASP A 53 15.389 18.481 -6.725 1.00 0.00 O ATOM 792 OD2 ASP A 53 16.798 20.193 -6.930 1.00 0.00 O ATOM 0 H ASP A 53 17.829 18.596 -3.804 1.00 0.00 H new ATOM 0 HA ASP A 53 16.281 16.794 -5.251 1.00 0.00 H new ATOM 0 HB2 ASP A 53 18.491 18.731 -5.862 1.00 0.00 H new ATOM 0 HB3 ASP A 53 18.059 17.574 -7.106 1.00 0.00 H new ATOM 797 N HIS A 54 19.528 16.085 -5.105 1.00 0.00 N ATOM 798 CA HIS A 54 20.511 15.024 -5.244 1.00 0.00 C ATOM 799 C HIS A 54 19.969 13.737 -4.620 1.00 0.00 C ATOM 800 O HIS A 54 20.221 12.644 -5.124 1.00 0.00 O ATOM 801 CB HIS A 54 21.856 15.449 -4.653 1.00 0.00 C ATOM 802 CG HIS A 54 22.032 15.082 -3.199 1.00 0.00 C ATOM 803 ND1 HIS A 54 22.321 13.886 -2.611 1.00 0.00 N flip ATOM 804 CD2 HIS A 54 21.909 16.003 -2.173 1.00 0.00 C flip ATOM 805 CE1 HIS A 54 22.374 14.067 -1.297 1.00 0.00 C flip ATOM 806 NE2 HIS A 54 22.118 15.378 -1.024 1.00 0.00 N flip ATOM 0 H HIS A 54 19.911 16.986 -4.818 1.00 0.00 H new ATOM 0 HA HIS A 54 20.691 14.826 -6.301 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.657 14.990 -5.232 1.00 0.00 H new ATOM 0 HB3 HIS A 54 21.963 16.528 -4.760 1.00 0.00 H new ATOM 0 HD2 HIS A 54 21.681 17.052 -2.289 1.00 0.00 H new ATOM 0 HE1 HIS A 54 22.585 13.302 -0.565 1.00 0.00 H new ATOM 0 HE2 HIS A 54 22.092 15.803 -0.097 1.00 0.00 H new ATOM 814 N ASN A 55 19.235 13.910 -3.530 1.00 0.00 N ATOM 815 CA ASN A 55 18.655 12.775 -2.831 1.00 0.00 C ATOM 816 C ASN A 55 17.324 13.195 -2.203 1.00 0.00 C ATOM 817 O ASN A 55 17.281 13.595 -1.041 1.00 0.00 O ATOM 818 CB ASN A 55 19.576 12.291 -1.709 1.00 0.00 C ATOM 819 CG ASN A 55 19.245 10.851 -1.312 1.00 0.00 C ATOM 820 OD1 ASN A 55 18.953 10.003 -2.139 1.00 0.00 O ATOM 821 ND2 ASN A 55 19.306 10.623 -0.003 1.00 0.00 N ATOM 0 H ASN A 55 19.029 14.818 -3.114 1.00 0.00 H new ATOM 0 HA ASN A 55 18.512 11.971 -3.553 1.00 0.00 H new ATOM 0 HB2 ASN A 55 20.615 12.353 -2.034 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.474 12.944 -0.842 1.00 0.00 H new ATOM 0 HD21 ASN A 55 19.102 9.693 0.363 1.00 0.00 H new ATOM 0 HD22 ASN A 55 19.557 11.378 0.635 1.00 0.00 H new ATOM 828 N ARG A 56 16.271 13.088 -3.000 1.00 0.00 N ATOM 829 CA ARG A 56 14.943 13.451 -2.536 1.00 0.00 C ATOM 830 C ARG A 56 14.019 12.232 -2.563 1.00 0.00 C ATOM 831 O ARG A 56 14.344 11.217 -3.178 1.00 0.00 O ATOM 832 CB ARG A 56 14.340 14.558 -3.404 1.00 0.00 C ATOM 833 CG ARG A 56 14.530 14.252 -4.892 1.00 0.00 C ATOM 834 CD ARG A 56 13.337 14.752 -5.710 1.00 0.00 C ATOM 835 NE ARG A 56 13.809 15.617 -6.815 1.00 0.00 N ATOM 836 CZ ARG A 56 13.041 16.013 -7.839 1.00 0.00 C ATOM 837 NH1 ARG A 56 11.760 15.625 -7.905 1.00 0.00 N ATOM 838 NH2 ARG A 56 13.553 16.797 -8.797 1.00 0.00 N ATOM 0 H ARG A 56 16.311 12.755 -3.963 1.00 0.00 H new ATOM 0 HA ARG A 56 15.038 13.817 -1.514 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.278 14.661 -3.183 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.810 15.511 -3.162 1.00 0.00 H new ATOM 0 HG2 ARG A 56 15.445 14.724 -5.250 1.00 0.00 H new ATOM 0 HG3 ARG A 56 14.649 13.178 -5.034 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.780 13.905 -6.112 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.653 15.308 -5.069 1.00 0.00 H new ATOM 0 HE ARG A 56 14.779 15.931 -6.796 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.370 15.028 -7.176 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.175 15.926 -8.685 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.528 17.093 -8.747 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.968 17.098 -9.576 1.00 0.00 H new ATOM 852 N SER A 57 12.887 12.371 -1.889 1.00 0.00 N ATOM 853 CA SER A 57 11.915 11.294 -1.828 1.00 0.00 C ATOM 854 C SER A 57 10.497 11.867 -1.831 1.00 0.00 C ATOM 855 O SER A 57 10.178 12.750 -1.036 1.00 0.00 O ATOM 856 CB SER A 57 12.133 10.425 -0.587 1.00 0.00 C ATOM 857 OG SER A 57 12.681 11.170 0.497 1.00 0.00 O ATOM 0 H SER A 57 12.621 13.214 -1.380 1.00 0.00 H new ATOM 0 HA SER A 57 12.047 10.664 -2.708 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.184 9.985 -0.281 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.801 9.600 -0.835 1.00 0.00 H new ATOM 0 HG SER A 57 12.804 10.580 1.270 1.00 0.00 H new ATOM 863 N PHE A 58 9.683 11.343 -2.736 1.00 0.00 N ATOM 864 CA PHE A 58 8.306 11.792 -2.854 1.00 0.00 C ATOM 865 C PHE A 58 7.400 11.045 -1.873 1.00 0.00 C ATOM 866 O PHE A 58 7.013 9.904 -2.126 1.00 0.00 O ATOM 867 CB PHE A 58 7.856 11.484 -4.283 1.00 0.00 C ATOM 868 CG PHE A 58 8.175 12.591 -5.289 1.00 0.00 C ATOM 869 CD1 PHE A 58 7.612 13.822 -5.147 1.00 0.00 C ATOM 870 CD2 PHE A 58 9.021 12.346 -6.325 1.00 0.00 C ATOM 871 CE1 PHE A 58 7.909 14.850 -6.080 1.00 0.00 C ATOM 872 CE2 PHE A 58 9.317 13.374 -7.258 1.00 0.00 C ATOM 873 CZ PHE A 58 8.755 14.604 -7.116 1.00 0.00 C ATOM 0 H PHE A 58 9.951 10.612 -3.395 1.00 0.00 H new ATOM 0 HA PHE A 58 8.241 12.856 -2.628 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.333 10.560 -4.612 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.781 11.306 -4.284 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.939 14.017 -4.325 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.468 11.369 -6.438 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.463 15.827 -5.967 1.00 0.00 H new ATOM 0 HE2 PHE A 58 9.989 13.179 -8.081 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.981 15.386 -7.826 1.00 0.00 H new ATOM 883 N ILE A 59 7.087 11.717 -0.775 1.00 0.00 N ATOM 884 CA ILE A 59 6.233 11.131 0.244 1.00 0.00 C ATOM 885 C ILE A 59 4.806 11.019 -0.295 1.00 0.00 C ATOM 886 O ILE A 59 4.117 12.026 -0.453 1.00 0.00 O ATOM 887 CB ILE A 59 6.337 11.922 1.549 1.00 0.00 C ATOM 888 CG1 ILE A 59 7.556 11.480 2.362 1.00 0.00 C ATOM 889 CG2 ILE A 59 5.042 11.819 2.357 1.00 0.00 C ATOM 890 CD1 ILE A 59 7.967 12.560 3.365 1.00 0.00 C ATOM 0 H ILE A 59 7.410 12.662 -0.569 1.00 0.00 H new ATOM 0 HA ILE A 59 6.564 10.120 0.483 1.00 0.00 H new ATOM 0 HB ILE A 59 6.479 12.974 1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.329 10.555 2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.388 11.267 1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.143 12.390 3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.215 12.219 1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.845 10.774 2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.835 12.221 3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.217 13.477 2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.142 12.753 4.050 1.00 0.00 H new ATOM 902 N ALA A 60 4.404 9.785 -0.563 1.00 0.00 N ATOM 903 CA ALA A 60 3.071 9.529 -1.081 1.00 0.00 C ATOM 904 C ALA A 60 2.119 9.257 0.085 1.00 0.00 C ATOM 905 O ALA A 60 2.230 8.232 0.756 1.00 0.00 O ATOM 906 CB ALA A 60 3.124 8.366 -2.074 1.00 0.00 C ATOM 0 H ALA A 60 4.978 8.952 -0.431 1.00 0.00 H new ATOM 0 HA ALA A 60 2.694 10.399 -1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.124 8.174 -2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.791 8.621 -2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.495 7.474 -1.570 1.00 0.00 H new ATOM 912 N GLU A 61 1.203 10.192 0.291 1.00 0.00 N ATOM 913 CA GLU A 61 0.233 10.067 1.364 1.00 0.00 C ATOM 914 C GLU A 61 -1.188 10.043 0.795 1.00 0.00 C ATOM 915 O GLU A 61 -1.501 10.788 -0.132 1.00 0.00 O ATOM 916 CB GLU A 61 0.395 11.194 2.386 1.00 0.00 C ATOM 917 CG GLU A 61 -0.016 12.540 1.786 1.00 0.00 C ATOM 918 CD GLU A 61 0.462 13.699 2.663 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.566 13.561 3.234 1.00 0.00 O ATOM 920 OE2 GLU A 61 -0.286 14.697 2.743 1.00 0.00 O ATOM 0 H GLU A 61 1.113 11.040 -0.268 1.00 0.00 H new ATOM 0 HA GLU A 61 0.413 9.125 1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.213 10.983 3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.432 11.242 2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.404 12.639 0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.100 12.580 1.683 1.00 0.00 H new ATOM 927 N MET A 62 -2.009 9.179 1.375 1.00 0.00 N ATOM 928 CA MET A 62 -3.388 9.049 0.938 1.00 0.00 C ATOM 929 C MET A 62 -4.323 8.834 2.129 1.00 0.00 C ATOM 930 O MET A 62 -3.941 8.210 3.118 1.00 0.00 O ATOM 931 CB MET A 62 -3.508 7.867 -0.026 1.00 0.00 C ATOM 932 CG MET A 62 -4.973 7.480 -0.239 1.00 0.00 C ATOM 933 SD MET A 62 -5.091 6.179 -1.456 1.00 0.00 S ATOM 934 CE MET A 62 -5.582 7.132 -2.883 1.00 0.00 C ATOM 0 H MET A 62 -1.745 8.563 2.144 1.00 0.00 H new ATOM 0 HA MET A 62 -3.679 9.971 0.435 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.054 8.126 -0.982 1.00 0.00 H new ATOM 0 HB3 MET A 62 -2.956 7.014 0.369 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.411 7.149 0.703 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.543 8.349 -0.567 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.022 6.470 -3.629 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.316 7.881 -2.585 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.709 7.628 -3.307 1.00 0.00 H new ATOM 944 N THR A 63 -5.531 9.361 1.995 1.00 0.00 N ATOM 945 CA THR A 63 -6.524 9.235 3.049 1.00 0.00 C ATOM 946 C THR A 63 -7.891 8.889 2.455 1.00 0.00 C ATOM 947 O THR A 63 -8.303 9.473 1.454 1.00 0.00 O ATOM 948 CB THR A 63 -6.524 10.534 3.857 1.00 0.00 C ATOM 949 OG1 THR A 63 -5.145 10.783 4.114 1.00 0.00 O ATOM 950 CG2 THR A 63 -7.136 10.358 5.248 1.00 0.00 C ATOM 0 H THR A 63 -5.845 9.876 1.173 1.00 0.00 H new ATOM 0 HA THR A 63 -6.281 8.415 3.725 1.00 0.00 H new ATOM 0 HB THR A 63 -7.075 11.300 3.312 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.039 11.682 4.490 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.111 11.309 5.779 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.169 10.023 5.151 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.565 9.616 5.806 1.00 0.00 H new ATOM 958 N ILE A 64 -8.556 7.940 3.097 1.00 0.00 N ATOM 959 CA ILE A 64 -9.868 7.509 2.644 1.00 0.00 C ATOM 960 C ILE A 64 -10.807 7.399 3.847 1.00 0.00 C ATOM 961 O ILE A 64 -10.359 7.166 4.969 1.00 0.00 O ATOM 962 CB ILE A 64 -9.757 6.218 1.831 1.00 0.00 C ATOM 963 CG1 ILE A 64 -8.741 5.261 2.457 1.00 0.00 C ATOM 964 CG2 ILE A 64 -9.433 6.519 0.366 1.00 0.00 C ATOM 965 CD1 ILE A 64 -8.972 3.826 1.978 1.00 0.00 C ATOM 0 H ILE A 64 -8.211 7.457 3.927 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.299 8.248 1.968 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.725 5.718 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.731 5.577 2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.818 5.302 3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.360 5.584 -0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.224 7.135 -0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.485 7.053 0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.236 3.166 2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.975 3.505 2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.870 3.783 0.894 1.00 0.00 H new ATOM 977 N TYR A 65 -12.092 7.570 3.573 1.00 0.00 N ATOM 978 CA TYR A 65 -13.097 7.493 4.619 1.00 0.00 C ATOM 979 C TYR A 65 -14.057 6.327 4.371 1.00 0.00 C ATOM 980 O TYR A 65 -14.469 6.087 3.237 1.00 0.00 O ATOM 981 CB TYR A 65 -13.880 8.805 4.549 1.00 0.00 C ATOM 982 CG TYR A 65 -15.151 8.818 5.401 1.00 0.00 C ATOM 983 CD1 TYR A 65 -16.284 8.165 4.959 1.00 0.00 C ATOM 984 CD2 TYR A 65 -15.164 9.482 6.611 1.00 0.00 C ATOM 985 CE1 TYR A 65 -17.480 8.177 5.761 1.00 0.00 C ATOM 986 CE2 TYR A 65 -16.360 9.494 7.412 1.00 0.00 C ATOM 987 CZ TYR A 65 -17.459 8.841 6.948 1.00 0.00 C ATOM 988 OH TYR A 65 -18.589 8.852 7.705 1.00 0.00 O ATOM 0 H TYR A 65 -12.460 7.762 2.641 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.629 7.337 5.591 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.232 9.621 4.870 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.149 9.001 3.511 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.273 7.645 4.012 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.277 9.992 6.957 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.374 7.670 5.428 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.384 10.010 8.360 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.428 9.363 8.526 1.00 0.00 H new ATOM 998 N ILE A 66 -14.384 5.633 5.451 1.00 0.00 N ATOM 999 CA ILE A 66 -15.288 4.498 5.366 1.00 0.00 C ATOM 1000 C ILE A 66 -16.602 4.843 6.069 1.00 0.00 C ATOM 1001 O ILE A 66 -16.612 5.141 7.262 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.614 3.235 5.908 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -13.186 3.104 5.375 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.455 1.993 5.606 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -13.169 3.096 3.845 1.00 0.00 C ATOM 0 H ILE A 66 -14.039 5.834 6.390 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.530 4.282 4.326 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.546 3.322 6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -12.579 3.931 5.744 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.736 2.185 5.752 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -14.954 1.109 6.001 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.435 2.094 6.073 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.576 1.889 4.528 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.142 3.002 3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.757 2.254 3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.597 4.026 3.472 1.00 0.00 H new ATOM 1017 N LYS A 67 -17.679 4.792 5.299 1.00 0.00 N ATOM 1018 CA LYS A 67 -18.996 5.096 5.832 1.00 0.00 C ATOM 1019 C LYS A 67 -19.518 3.887 6.610 1.00 0.00 C ATOM 1020 O LYS A 67 -20.157 4.041 7.650 1.00 0.00 O ATOM 1021 CB LYS A 67 -19.933 5.561 4.715 1.00 0.00 C ATOM 1022 CG LYS A 67 -19.959 4.550 3.566 1.00 0.00 C ATOM 1023 CD LYS A 67 -19.534 5.205 2.250 1.00 0.00 C ATOM 1024 CE LYS A 67 -20.581 6.217 1.779 1.00 0.00 C ATOM 1025 NZ LYS A 67 -20.486 6.417 0.316 1.00 0.00 N ATOM 0 H LYS A 67 -17.666 4.545 4.310 1.00 0.00 H new ATOM 0 HA LYS A 67 -18.940 5.927 6.535 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -20.940 5.693 5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -19.607 6.532 4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.293 3.718 3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -20.962 4.136 3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -18.574 5.704 2.381 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -19.394 4.439 1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -21.579 5.865 2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -20.434 7.167 2.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -21.203 7.106 0.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.539 6.774 0.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -20.649 5.512 -0.169 1.00 0.00 H new ATOM 1039 N GLN A 68 -19.227 2.710 6.076 1.00 0.00 N ATOM 1040 CA GLN A 68 -19.659 1.474 6.707 1.00 0.00 C ATOM 1041 C GLN A 68 -19.034 1.341 8.097 1.00 0.00 C ATOM 1042 O GLN A 68 -19.532 0.593 8.936 1.00 0.00 O ATOM 1043 CB GLN A 68 -19.318 0.265 5.834 1.00 0.00 C ATOM 1044 CG GLN A 68 -17.818 0.207 5.538 1.00 0.00 C ATOM 1045 CD GLN A 68 -17.458 -1.070 4.775 1.00 0.00 C ATOM 1046 OE1 GLN A 68 -17.822 -1.261 3.627 1.00 0.00 O ATOM 1047 NE2 GLN A 68 -16.725 -1.930 5.476 1.00 0.00 N ATOM 0 H GLN A 68 -18.697 2.586 5.213 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.743 1.505 6.819 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.628 -0.651 6.337 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.875 0.319 4.899 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.525 1.079 4.953 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.258 0.247 6.472 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.454 -1.707 6.434 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.433 -2.812 5.056 1.00 0.00 H new ATOM 1056 N LEU A 69 -17.951 2.078 8.297 1.00 0.00 N ATOM 1057 CA LEU A 69 -17.253 2.052 9.571 1.00 0.00 C ATOM 1058 C LEU A 69 -17.613 3.305 10.371 1.00 0.00 C ATOM 1059 O LEU A 69 -17.739 3.251 11.593 1.00 0.00 O ATOM 1060 CB LEU A 69 -15.749 1.871 9.354 1.00 0.00 C ATOM 1061 CG LEU A 69 -15.321 0.566 8.680 1.00 0.00 C ATOM 1062 CD1 LEU A 69 -13.867 0.227 9.016 1.00 0.00 C ATOM 1063 CD2 LEU A 69 -16.273 -0.576 9.042 1.00 0.00 C ATOM 0 H LEU A 69 -17.540 2.697 7.598 1.00 0.00 H new ATOM 0 HA LEU A 69 -17.572 1.194 10.163 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.386 2.704 8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.252 1.937 10.322 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.379 0.704 7.600 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.588 -0.705 8.525 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.217 1.030 8.668 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.760 0.115 10.095 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.946 -1.492 8.550 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.270 -0.723 10.122 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.282 -0.327 8.712 1.00 0.00 H new ATOM 1075 N GLY A 70 -17.767 4.405 9.648 1.00 0.00 N ATOM 1076 CA GLY A 70 -18.110 5.671 10.276 1.00 0.00 C ATOM 1077 C GLY A 70 -16.853 6.481 10.598 1.00 0.00 C ATOM 1078 O GLY A 70 -16.921 7.482 11.309 1.00 0.00 O ATOM 0 H GLY A 70 -17.661 4.446 8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.758 6.246 9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.673 5.487 11.191 1.00 0.00 H new ATOM 1082 N ARG A 71 -15.734 6.018 10.058 1.00 0.00 N ATOM 1083 CA ARG A 71 -14.464 6.688 10.279 1.00 0.00 C ATOM 1084 C ARG A 71 -13.655 6.733 8.981 1.00 0.00 C ATOM 1085 O ARG A 71 -14.162 6.379 7.917 1.00 0.00 O ATOM 1086 CB ARG A 71 -13.645 5.974 11.357 1.00 0.00 C ATOM 1087 CG ARG A 71 -13.312 4.542 10.934 1.00 0.00 C ATOM 1088 CD ARG A 71 -11.862 4.435 10.456 1.00 0.00 C ATOM 1089 NE ARG A 71 -10.948 4.977 11.486 1.00 0.00 N ATOM 1090 CZ ARG A 71 -10.642 4.344 12.627 1.00 0.00 C ATOM 1091 NH1 ARG A 71 -11.174 3.143 12.890 1.00 0.00 N ATOM 1092 NH2 ARG A 71 -9.803 4.913 13.504 1.00 0.00 N ATOM 0 H ARG A 71 -15.681 5.187 9.468 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.678 7.703 10.614 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.723 6.525 11.544 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.203 5.960 12.293 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.473 3.864 11.772 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -13.986 4.228 10.137 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.614 3.394 10.250 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.737 4.983 9.522 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.524 5.889 11.317 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.812 2.710 12.222 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.941 2.661 13.758 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.398 5.827 13.303 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.570 4.432 14.373 1.00 0.00 H new ATOM 1106 N ARG A 72 -12.412 7.172 9.111 1.00 0.00 N ATOM 1107 CA ARG A 72 -11.529 7.269 7.962 1.00 0.00 C ATOM 1108 C ARG A 72 -10.097 6.907 8.361 1.00 0.00 C ATOM 1109 O ARG A 72 -9.702 7.098 9.510 1.00 0.00 O ATOM 1110 CB ARG A 72 -11.545 8.681 7.372 1.00 0.00 C ATOM 1111 CG ARG A 72 -11.406 9.736 8.471 1.00 0.00 C ATOM 1112 CD ARG A 72 -10.146 10.579 8.265 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.454 12.010 8.484 1.00 0.00 N ATOM 1114 CZ ARG A 72 -11.126 12.776 7.613 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -11.564 12.252 6.460 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -11.359 14.065 7.895 1.00 0.00 N ATOM 0 H ARG A 72 -11.995 7.465 9.995 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.888 6.568 7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.731 8.789 6.655 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.475 8.840 6.826 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.284 10.382 8.473 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.367 9.249 9.445 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.366 10.257 8.955 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.761 10.432 7.256 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.135 12.440 9.352 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.386 11.271 6.246 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.075 12.834 5.797 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.025 14.464 8.773 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.870 14.648 7.232 1.00 0.00 H new ATOM 1130 N ILE A 73 -9.358 6.391 7.389 1.00 0.00 N ATOM 1131 CA ILE A 73 -7.979 6.000 7.625 1.00 0.00 C ATOM 1132 C ILE A 73 -7.054 6.866 6.767 1.00 0.00 C ATOM 1133 O ILE A 73 -7.441 7.312 5.688 1.00 0.00 O ATOM 1134 CB ILE A 73 -7.801 4.497 7.397 1.00 0.00 C ATOM 1135 CG1 ILE A 73 -8.318 4.087 6.017 1.00 0.00 C ATOM 1136 CG2 ILE A 73 -8.459 3.691 8.519 1.00 0.00 C ATOM 1137 CD1 ILE A 73 -7.866 2.669 5.662 1.00 0.00 C ATOM 0 H ILE A 73 -9.689 6.235 6.437 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.706 6.175 8.666 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.735 4.271 7.421 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.407 4.140 6.002 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.954 4.788 5.265 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.318 2.626 8.333 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.003 3.956 9.473 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.525 3.916 8.551 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.247 2.402 4.676 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.777 2.625 5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.252 1.968 6.402 1.00 0.00 H new ATOM 1149 N PHE A 74 -5.850 7.077 7.278 1.00 0.00 N ATOM 1150 CA PHE A 74 -4.868 7.881 6.572 1.00 0.00 C ATOM 1151 C PHE A 74 -3.553 7.116 6.402 1.00 0.00 C ATOM 1152 O PHE A 74 -3.265 6.194 7.162 1.00 0.00 O ATOM 1153 CB PHE A 74 -4.613 9.126 7.423 1.00 0.00 C ATOM 1154 CG PHE A 74 -3.188 9.673 7.316 1.00 0.00 C ATOM 1155 CD1 PHE A 74 -2.867 10.543 6.321 1.00 0.00 C ATOM 1156 CD2 PHE A 74 -2.243 9.290 8.215 1.00 0.00 C ATOM 1157 CE1 PHE A 74 -1.545 11.051 6.221 1.00 0.00 C ATOM 1158 CE2 PHE A 74 -0.921 9.797 8.115 1.00 0.00 C ATOM 1159 CZ PHE A 74 -0.599 10.667 7.120 1.00 0.00 C ATOM 0 H PHE A 74 -5.532 6.705 8.173 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.240 8.136 5.580 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.314 9.906 7.126 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.823 8.890 8.466 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.618 10.847 5.607 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -2.498 8.600 9.006 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.290 11.742 5.431 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.170 9.492 8.829 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.407 11.053 7.044 1.00 0.00 H new ATOM 1169 N ALA A 75 -2.791 7.529 5.400 1.00 0.00 N ATOM 1170 CA ALA A 75 -1.514 6.894 5.120 1.00 0.00 C ATOM 1171 C ALA A 75 -0.514 7.954 4.654 1.00 0.00 C ATOM 1172 O ALA A 75 -0.907 9.000 4.140 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.711 5.784 4.086 1.00 0.00 C ATOM 0 H ALA A 75 -3.033 8.295 4.772 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.110 6.432 6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.753 5.308 3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.407 5.042 4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.113 6.210 3.167 1.00 0.00 H new ATOM 1179 N ARG A 76 0.760 7.647 4.852 1.00 0.00 N ATOM 1180 CA ARG A 76 1.819 8.561 4.458 1.00 0.00 C ATOM 1181 C ARG A 76 3.184 7.886 4.609 1.00 0.00 C ATOM 1182 O ARG A 76 3.727 7.815 5.711 1.00 0.00 O ATOM 1183 CB ARG A 76 1.791 9.835 5.305 1.00 0.00 C ATOM 1184 CG ARG A 76 2.850 10.832 4.831 1.00 0.00 C ATOM 1185 CD ARG A 76 3.804 11.202 5.969 1.00 0.00 C ATOM 1186 NE ARG A 76 4.065 12.658 5.958 1.00 0.00 N ATOM 1187 CZ ARG A 76 4.877 13.283 6.821 1.00 0.00 C ATOM 1188 NH1 ARG A 76 5.511 12.582 7.771 1.00 0.00 N ATOM 1189 NH2 ARG A 76 5.054 14.608 6.736 1.00 0.00 N ATOM 0 H ARG A 76 1.082 6.779 5.280 1.00 0.00 H new ATOM 0 HA ARG A 76 1.655 8.829 3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.804 10.293 5.247 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.965 9.584 6.351 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.415 10.402 4.004 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.364 11.731 4.452 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.372 10.909 6.926 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.741 10.656 5.861 1.00 0.00 H new ATOM 0 HE ARG A 76 3.597 13.222 5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.375 11.573 7.837 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.129 13.057 8.428 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.570 15.142 6.014 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.672 15.083 7.393 1.00 0.00 H new ATOM 1203 N GLU A 77 3.700 7.409 3.486 1.00 0.00 N ATOM 1204 CA GLU A 77 4.992 6.743 3.479 1.00 0.00 C ATOM 1205 C GLU A 77 6.016 7.580 2.711 1.00 0.00 C ATOM 1206 O GLU A 77 5.692 8.651 2.201 1.00 0.00 O ATOM 1207 CB GLU A 77 4.880 5.336 2.889 1.00 0.00 C ATOM 1208 CG GLU A 77 4.110 4.407 3.829 1.00 0.00 C ATOM 1209 CD GLU A 77 4.949 4.051 5.058 1.00 0.00 C ATOM 1210 OE1 GLU A 77 5.693 3.051 4.966 1.00 0.00 O ATOM 1211 OE2 GLU A 77 4.827 4.787 6.061 1.00 0.00 O ATOM 0 H GLU A 77 3.247 7.470 2.574 1.00 0.00 H new ATOM 0 HA GLU A 77 5.333 6.643 4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.376 5.382 1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.877 4.933 2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.184 4.888 4.144 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.832 3.497 3.298 1.00 0.00 H new ATOM 1218 N HIS A 78 7.234 7.060 2.653 1.00 0.00 N ATOM 1219 CA HIS A 78 8.308 7.746 1.956 1.00 0.00 C ATOM 1220 C HIS A 78 9.003 6.774 1.000 1.00 0.00 C ATOM 1221 O HIS A 78 10.118 6.327 1.265 1.00 0.00 O ATOM 1222 CB HIS A 78 9.275 8.393 2.950 1.00 0.00 C ATOM 1223 CG HIS A 78 9.396 7.651 4.260 1.00 0.00 C ATOM 1224 ND1 HIS A 78 9.984 6.402 4.362 1.00 0.00 N ATOM 1225 CD2 HIS A 78 9.002 7.995 5.519 1.00 0.00 C ATOM 1226 CE1 HIS A 78 9.938 6.021 5.630 1.00 0.00 C ATOM 1227 NE2 HIS A 78 9.328 7.009 6.346 1.00 0.00 N ATOM 0 H HIS A 78 7.500 6.172 3.078 1.00 0.00 H new ATOM 0 HA HIS A 78 7.897 8.558 1.357 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.261 8.461 2.490 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.946 9.413 3.151 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.385 5.866 3.592 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.508 8.914 5.797 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.317 5.091 6.027 1.00 0.00 H new ATOM 1235 N GLY A 79 8.315 6.475 -0.092 1.00 0.00 N ATOM 1236 CA GLY A 79 8.852 5.564 -1.088 1.00 0.00 C ATOM 1237 C GLY A 79 9.952 6.238 -1.911 1.00 0.00 C ATOM 1238 O GLY A 79 10.155 7.447 -1.810 1.00 0.00 O ATOM 0 H GLY A 79 7.391 6.847 -0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.252 4.677 -0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.052 5.229 -1.748 1.00 0.00 H new ATOM 1242 N SER A 80 10.632 5.426 -2.707 1.00 0.00 N ATOM 1243 CA SER A 80 11.706 5.929 -3.547 1.00 0.00 C ATOM 1244 C SER A 80 11.127 6.739 -4.709 1.00 0.00 C ATOM 1245 O SER A 80 11.486 7.900 -4.900 1.00 0.00 O ATOM 1246 CB SER A 80 12.572 4.784 -4.078 1.00 0.00 C ATOM 1247 OG SER A 80 13.014 3.921 -3.034 1.00 0.00 O ATOM 0 H SER A 80 10.460 4.424 -2.788 1.00 0.00 H new ATOM 0 HA SER A 80 12.339 6.577 -2.941 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.004 4.208 -4.808 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.437 5.195 -4.599 1.00 0.00 H new ATOM 0 HG SER A 80 13.562 3.203 -3.413 1.00 0.00 H new ATOM 1253 N ASN A 81 10.241 6.094 -5.454 1.00 0.00 N ATOM 1254 CA ASN A 81 9.609 6.740 -6.591 1.00 0.00 C ATOM 1255 C ASN A 81 8.107 6.872 -6.328 1.00 0.00 C ATOM 1256 O ASN A 81 7.592 6.316 -5.359 1.00 0.00 O ATOM 1257 CB ASN A 81 9.794 5.915 -7.866 1.00 0.00 C ATOM 1258 CG ASN A 81 9.142 4.538 -7.728 1.00 0.00 C ATOM 1259 OD1 ASN A 81 7.936 4.404 -7.605 1.00 0.00 O ATOM 1260 ND2 ASN A 81 10.004 3.526 -7.756 1.00 0.00 N ATOM 0 H ASN A 81 9.946 5.131 -5.292 1.00 0.00 H new ATOM 0 HA ASN A 81 10.072 7.718 -6.723 1.00 0.00 H new ATOM 0 HB2 ASN A 81 9.357 6.445 -8.713 1.00 0.00 H new ATOM 0 HB3 ASN A 81 10.857 5.798 -8.077 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.667 2.567 -7.672 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.002 3.709 -7.862 1.00 0.00 H new ATOM 1267 N LYS A 82 7.447 7.611 -7.207 1.00 0.00 N ATOM 1268 CA LYS A 82 6.015 7.823 -7.082 1.00 0.00 C ATOM 1269 C LYS A 82 5.320 6.474 -6.886 1.00 0.00 C ATOM 1270 O LYS A 82 4.617 6.272 -5.896 1.00 0.00 O ATOM 1271 CB LYS A 82 5.485 8.620 -8.275 1.00 0.00 C ATOM 1272 CG LYS A 82 5.594 10.125 -8.021 1.00 0.00 C ATOM 1273 CD LYS A 82 4.479 10.885 -8.743 1.00 0.00 C ATOM 1274 CE LYS A 82 5.007 12.189 -9.346 1.00 0.00 C ATOM 1275 NZ LYS A 82 4.719 12.242 -10.797 1.00 0.00 N ATOM 0 H LYS A 82 7.878 8.071 -8.009 1.00 0.00 H new ATOM 0 HA LYS A 82 5.795 8.427 -6.202 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.047 8.357 -9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.445 8.353 -8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.539 10.322 -6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.565 10.486 -8.362 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.059 10.260 -9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.671 11.104 -8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.546 13.041 -8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.081 12.265 -9.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.084 13.133 -11.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.179 11.439 -11.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.691 12.191 -10.949 1.00 0.00 H new ATOM 1289 N LYS A 83 5.540 5.586 -7.844 1.00 0.00 N ATOM 1290 CA LYS A 83 4.943 4.263 -7.789 1.00 0.00 C ATOM 1291 C LYS A 83 5.095 3.698 -6.375 1.00 0.00 C ATOM 1292 O LYS A 83 4.126 3.635 -5.620 1.00 0.00 O ATOM 1293 CB LYS A 83 5.533 3.363 -8.877 1.00 0.00 C ATOM 1294 CG LYS A 83 4.551 2.256 -9.265 1.00 0.00 C ATOM 1295 CD LYS A 83 4.600 1.102 -8.261 1.00 0.00 C ATOM 1296 CE LYS A 83 5.173 -0.161 -8.905 1.00 0.00 C ATOM 1297 NZ LYS A 83 6.649 -0.080 -8.984 1.00 0.00 N ATOM 0 H LYS A 83 6.124 5.757 -8.663 1.00 0.00 H new ATOM 0 HA LYS A 83 3.875 4.318 -7.998 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.778 3.961 -9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.464 2.920 -8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.540 2.661 -9.310 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.790 1.886 -10.262 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.211 1.387 -7.404 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.597 0.900 -7.885 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.882 -1.036 -8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.756 -0.288 -9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.021 -0.946 -9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.921 0.744 -9.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.043 0.019 -8.027 1.00 0.00 H new ATOM 1311 N LEU A 84 6.319 3.301 -6.059 1.00 0.00 N ATOM 1312 CA LEU A 84 6.610 2.744 -4.749 1.00 0.00 C ATOM 1313 C LEU A 84 5.836 3.523 -3.684 1.00 0.00 C ATOM 1314 O LEU A 84 4.955 2.973 -3.026 1.00 0.00 O ATOM 1315 CB LEU A 84 8.120 2.706 -4.507 1.00 0.00 C ATOM 1316 CG LEU A 84 8.879 1.558 -5.177 1.00 0.00 C ATOM 1317 CD1 LEU A 84 10.382 1.669 -4.917 1.00 0.00 C ATOM 1318 CD2 LEU A 84 8.319 0.203 -4.741 1.00 0.00 C ATOM 0 H LEU A 84 7.121 3.354 -6.688 1.00 0.00 H new ATOM 0 HA LEU A 84 6.275 1.708 -4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.547 3.648 -4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.294 2.652 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 84 8.733 1.634 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.898 0.841 -5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.752 2.613 -5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.569 1.632 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.876 -0.596 -5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.414 0.101 -3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.268 0.137 -5.021 1.00 0.00 H new ATOM 1330 N ALA A 85 6.193 4.792 -3.548 1.00 0.00 N ATOM 1331 CA ALA A 85 5.543 5.652 -2.575 1.00 0.00 C ATOM 1332 C ALA A 85 4.060 5.287 -2.488 1.00 0.00 C ATOM 1333 O ALA A 85 3.552 4.990 -1.408 1.00 0.00 O ATOM 1334 CB ALA A 85 5.762 7.116 -2.961 1.00 0.00 C ATOM 0 H ALA A 85 6.924 5.245 -4.096 1.00 0.00 H new ATOM 0 HA ALA A 85 5.976 5.508 -1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.274 7.762 -2.231 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.830 7.332 -2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.338 7.299 -3.948 1.00 0.00 H new ATOM 1340 N ALA A 86 3.406 5.322 -3.640 1.00 0.00 N ATOM 1341 CA ALA A 86 1.991 4.998 -3.708 1.00 0.00 C ATOM 1342 C ALA A 86 1.777 3.564 -3.220 1.00 0.00 C ATOM 1343 O ALA A 86 1.001 3.330 -2.294 1.00 0.00 O ATOM 1344 CB ALA A 86 1.487 5.210 -5.137 1.00 0.00 C ATOM 0 H ALA A 86 3.830 5.570 -4.534 1.00 0.00 H new ATOM 0 HA ALA A 86 1.414 5.656 -3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.426 4.967 -5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.635 6.251 -5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.041 4.563 -5.818 1.00 0.00 H new ATOM 1350 N GLN A 87 2.477 2.643 -3.864 1.00 0.00 N ATOM 1351 CA GLN A 87 2.373 1.238 -3.507 1.00 0.00 C ATOM 1352 C GLN A 87 2.214 1.085 -1.993 1.00 0.00 C ATOM 1353 O GLN A 87 1.172 0.637 -1.517 1.00 0.00 O ATOM 1354 CB GLN A 87 3.584 0.452 -4.014 1.00 0.00 C ATOM 1355 CG GLN A 87 3.344 -0.071 -5.431 1.00 0.00 C ATOM 1356 CD GLN A 87 3.216 -1.596 -5.438 1.00 0.00 C ATOM 1357 OE1 GLN A 87 2.131 -2.154 -5.425 1.00 0.00 O ATOM 1358 NE2 GLN A 87 4.382 -2.237 -5.459 1.00 0.00 N ATOM 0 H GLN A 87 3.119 2.842 -4.631 1.00 0.00 H new ATOM 0 HA GLN A 87 1.486 0.826 -3.989 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.467 1.091 -4.003 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.786 -0.383 -3.344 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.437 0.376 -5.839 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.167 0.231 -6.078 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.254 -1.709 -5.469 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.403 -3.257 -5.465 1.00 0.00 H new ATOM 1367 N SER A 88 3.262 1.467 -1.279 1.00 0.00 N ATOM 1368 CA SER A 88 3.252 1.378 0.171 1.00 0.00 C ATOM 1369 C SER A 88 1.983 2.027 0.727 1.00 0.00 C ATOM 1370 O SER A 88 1.207 1.380 1.429 1.00 0.00 O ATOM 1371 CB SER A 88 4.494 2.040 0.772 1.00 0.00 C ATOM 1372 OG SER A 88 5.250 1.133 1.569 1.00 0.00 O ATOM 0 H SER A 88 4.124 1.839 -1.678 1.00 0.00 H new ATOM 0 HA SER A 88 3.265 0.324 0.449 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.122 2.428 -0.030 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.192 2.892 1.381 1.00 0.00 H new ATOM 0 HG SER A 88 6.035 1.593 1.933 1.00 0.00 H new ATOM 1378 N CYS A 89 1.810 3.297 0.390 1.00 0.00 N ATOM 1379 CA CYS A 89 0.648 4.040 0.847 1.00 0.00 C ATOM 1380 C CYS A 89 -0.577 3.130 0.739 1.00 0.00 C ATOM 1381 O CYS A 89 -1.239 2.854 1.738 1.00 0.00 O ATOM 1382 CB CYS A 89 0.465 5.340 0.061 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.498 6.540 1.053 1.00 0.00 S ATOM 0 H CYS A 89 2.455 3.830 -0.194 1.00 0.00 H new ATOM 0 HA CYS A 89 0.787 4.337 1.887 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.438 5.762 -0.192 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.048 5.137 -0.879 1.00 0.00 H new ATOM 0 HG CYS A 89 0.223 6.954 2.053 1.00 0.00 H new ATOM 1389 N ALA A 90 -0.841 2.690 -0.482 1.00 0.00 N ATOM 1390 CA ALA A 90 -1.975 1.817 -0.734 1.00 0.00 C ATOM 1391 C ALA A 90 -1.996 0.701 0.313 1.00 0.00 C ATOM 1392 O ALA A 90 -2.889 0.653 1.157 1.00 0.00 O ATOM 1393 CB ALA A 90 -1.896 1.275 -2.162 1.00 0.00 C ATOM 0 H ALA A 90 -0.289 2.922 -1.308 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.911 2.369 -0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.747 0.620 -2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.914 2.105 -2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.971 0.713 -2.287 1.00 0.00 H new ATOM 1399 N LEU A 91 -1.002 -0.170 0.223 1.00 0.00 N ATOM 1400 CA LEU A 91 -0.894 -1.282 1.152 1.00 0.00 C ATOM 1401 C LEU A 91 -1.239 -0.799 2.562 1.00 0.00 C ATOM 1402 O LEU A 91 -1.783 -1.554 3.365 1.00 0.00 O ATOM 1403 CB LEU A 91 0.484 -1.938 1.046 1.00 0.00 C ATOM 1404 CG LEU A 91 0.738 -3.121 1.982 1.00 0.00 C ATOM 1405 CD1 LEU A 91 -0.036 -4.358 1.525 1.00 0.00 C ATOM 1406 CD2 LEU A 91 2.236 -3.400 2.120 1.00 0.00 C ATOM 0 H LEU A 91 -0.264 -0.128 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.612 -2.061 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.625 -2.276 0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.242 -1.179 1.239 1.00 0.00 H new ATOM 0 HG LEU A 91 0.367 -2.858 2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.162 -5.184 2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.104 -4.138 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.281 -4.634 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.388 -4.246 2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.654 -3.633 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.734 -2.520 2.527 1.00 0.00 H new ATOM 1418 N SER A 92 -0.908 0.458 2.819 1.00 0.00 N ATOM 1419 CA SER A 92 -1.175 1.051 4.118 1.00 0.00 C ATOM 1420 C SER A 92 -2.682 1.073 4.383 1.00 0.00 C ATOM 1421 O SER A 92 -3.143 0.568 5.406 1.00 0.00 O ATOM 1422 CB SER A 92 -0.600 2.466 4.207 1.00 0.00 C ATOM 1423 OG SER A 92 -0.151 2.779 5.523 1.00 0.00 O ATOM 0 H SER A 92 -0.457 1.082 2.150 1.00 0.00 H new ATOM 0 HA SER A 92 -0.687 0.442 4.879 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.230 2.564 3.508 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.360 3.186 3.903 1.00 0.00 H new ATOM 0 HG SER A 92 0.210 3.690 5.537 1.00 0.00 H new ATOM 1429 N LEU A 93 -3.407 1.664 3.445 1.00 0.00 N ATOM 1430 CA LEU A 93 -4.852 1.758 3.564 1.00 0.00 C ATOM 1431 C LEU A 93 -5.456 0.354 3.512 1.00 0.00 C ATOM 1432 O LEU A 93 -6.384 0.045 4.259 1.00 0.00 O ATOM 1433 CB LEU A 93 -5.416 2.710 2.507 1.00 0.00 C ATOM 1434 CG LEU A 93 -4.885 4.144 2.545 1.00 0.00 C ATOM 1435 CD1 LEU A 93 -4.865 4.684 3.976 1.00 0.00 C ATOM 1436 CD2 LEU A 93 -3.511 4.238 1.877 1.00 0.00 C ATOM 0 H LEU A 93 -3.021 2.083 2.599 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.128 2.188 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.207 2.292 1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.500 2.742 2.617 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.565 4.775 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.483 5.705 3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.876 4.675 4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.221 4.057 4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.156 5.268 1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.807 3.591 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.590 3.922 0.837 1.00 0.00 H new ATOM 1448 N VAL A 94 -4.906 -0.460 2.623 1.00 0.00 N ATOM 1449 CA VAL A 94 -5.380 -1.825 2.464 1.00 0.00 C ATOM 1450 C VAL A 94 -5.275 -2.556 3.804 1.00 0.00 C ATOM 1451 O VAL A 94 -6.288 -2.934 4.390 1.00 0.00 O ATOM 1452 CB VAL A 94 -4.606 -2.520 1.342 1.00 0.00 C ATOM 1453 CG1 VAL A 94 -5.254 -3.857 0.976 1.00 0.00 C ATOM 1454 CG2 VAL A 94 -4.488 -1.614 0.115 1.00 0.00 C ATOM 0 H VAL A 94 -4.137 -0.201 2.005 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.430 -1.833 2.170 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.599 -2.724 1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.685 -4.330 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.263 -4.508 1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.277 -3.686 0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.934 -2.132 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.484 -1.365 -0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.962 -0.699 0.388 1.00 0.00 H new ATOM 1464 N ARG A 95 -4.040 -2.733 4.250 1.00 0.00 N ATOM 1465 CA ARG A 95 -3.790 -3.412 5.510 1.00 0.00 C ATOM 1466 C ARG A 95 -4.839 -3.010 6.548 1.00 0.00 C ATOM 1467 O ARG A 95 -5.473 -3.868 7.160 1.00 0.00 O ATOM 1468 CB ARG A 95 -2.397 -3.079 6.048 1.00 0.00 C ATOM 1469 CG ARG A 95 -1.424 -4.235 5.805 1.00 0.00 C ATOM 1470 CD ARG A 95 -0.086 -3.722 5.269 1.00 0.00 C ATOM 1471 NE ARG A 95 0.935 -3.756 6.340 1.00 0.00 N ATOM 1472 CZ ARG A 95 1.568 -4.868 6.739 1.00 0.00 C ATOM 1473 NH1 ARG A 95 1.288 -6.043 6.159 1.00 0.00 N ATOM 1474 NH2 ARG A 95 2.480 -4.805 7.719 1.00 0.00 N ATOM 0 H ARG A 95 -3.202 -2.418 3.761 1.00 0.00 H new ATOM 0 HA ARG A 95 -3.850 -4.485 5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.023 -2.176 5.565 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.457 -2.868 7.116 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.262 -4.780 6.735 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.859 -4.938 5.095 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.237 -4.335 4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.200 -2.704 4.896 1.00 0.00 H new ATOM 0 HE ARG A 95 1.172 -2.879 6.803 1.00 0.00 H new ATOM 0 HH11 ARG A 95 0.593 -6.091 5.414 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.770 -6.889 6.463 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.692 -3.911 8.161 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.962 -5.651 8.023 1.00 0.00 H new ATOM 1488 N GLN A 96 -4.991 -1.704 6.713 1.00 0.00 N ATOM 1489 CA GLN A 96 -5.953 -1.177 7.666 1.00 0.00 C ATOM 1490 C GLN A 96 -7.365 -1.652 7.313 1.00 0.00 C ATOM 1491 O GLN A 96 -8.052 -2.241 8.146 1.00 0.00 O ATOM 1492 CB GLN A 96 -5.887 0.350 7.725 1.00 0.00 C ATOM 1493 CG GLN A 96 -4.987 0.816 8.871 1.00 0.00 C ATOM 1494 CD GLN A 96 -3.545 1.004 8.394 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -3.372 2.055 7.596 1.00 0.00 O flip ATOM 1496 NE2 GLN A 96 -2.650 0.246 8.727 1.00 0.00 N flip ATOM 0 H GLN A 96 -4.464 -0.995 6.203 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.700 -1.557 8.656 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.508 0.738 6.779 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.890 0.756 7.857 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.365 1.755 9.276 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.014 0.086 9.680 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.852 -0.542 9.342 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.700 0.400 8.390 1.00 0.00 H new ATOM 1505 N LEU A 97 -7.755 -1.376 6.077 1.00 0.00 N ATOM 1506 CA LEU A 97 -9.072 -1.768 5.604 1.00 0.00 C ATOM 1507 C LEU A 97 -9.373 -3.194 6.068 1.00 0.00 C ATOM 1508 O LEU A 97 -10.412 -3.447 6.675 1.00 0.00 O ATOM 1509 CB LEU A 97 -9.174 -1.579 4.089 1.00 0.00 C ATOM 1510 CG LEU A 97 -9.281 -0.134 3.598 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -8.887 -0.025 2.124 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -10.678 0.433 3.862 1.00 0.00 C ATOM 0 H LEU A 97 -7.183 -0.886 5.389 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.839 -1.125 6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.299 -2.035 3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.045 -2.128 3.732 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.575 0.473 4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.972 1.012 1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.858 -0.362 1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.550 -0.648 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.727 1.461 3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.420 -0.170 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.883 0.412 4.932 1.00 0.00 H new ATOM 1524 N TYR A 98 -8.444 -4.089 5.764 1.00 0.00 N ATOM 1525 CA TYR A 98 -8.597 -5.484 6.142 1.00 0.00 C ATOM 1526 C TYR A 98 -8.752 -5.627 7.658 1.00 0.00 C ATOM 1527 O TYR A 98 -9.760 -6.144 8.137 1.00 0.00 O ATOM 1528 CB TYR A 98 -7.309 -6.183 5.705 1.00 0.00 C ATOM 1529 CG TYR A 98 -7.022 -7.486 6.455 1.00 0.00 C ATOM 1530 CD1 TYR A 98 -7.841 -8.581 6.273 1.00 0.00 C ATOM 1531 CD2 TYR A 98 -5.944 -7.565 7.313 1.00 0.00 C ATOM 1532 CE1 TYR A 98 -7.571 -9.807 6.979 1.00 0.00 C ATOM 1533 CE2 TYR A 98 -5.674 -8.790 8.019 1.00 0.00 C ATOM 1534 CZ TYR A 98 -6.501 -9.851 7.817 1.00 0.00 C ATOM 1535 OH TYR A 98 -6.246 -11.009 8.484 1.00 0.00 O ATOM 0 H TYR A 98 -7.583 -3.875 5.260 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.484 -5.913 5.676 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.367 -6.396 4.638 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.471 -5.501 5.849 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -8.684 -8.519 5.601 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -5.303 -6.708 7.455 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -8.204 -10.672 6.846 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -4.834 -8.865 8.694 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.451 -10.895 9.045 1.00 0.00 H new ATOM 1545 N HIS A 99 -7.737 -5.160 8.371 1.00 0.00 N ATOM 1546 CA HIS A 99 -7.748 -5.229 9.822 1.00 0.00 C ATOM 1547 C HIS A 99 -9.106 -4.762 10.348 1.00 0.00 C ATOM 1548 O HIS A 99 -9.824 -5.527 10.990 1.00 0.00 O ATOM 1549 CB HIS A 99 -6.579 -4.438 10.412 1.00 0.00 C ATOM 1550 CG HIS A 99 -6.999 -3.305 11.317 1.00 0.00 C ATOM 1551 ND1 HIS A 99 -7.878 -3.474 12.373 1.00 0.00 N ATOM 1552 CD2 HIS A 99 -6.652 -1.986 11.313 1.00 0.00 C ATOM 1553 CE1 HIS A 99 -8.045 -2.304 12.970 1.00 0.00 C ATOM 1554 NE2 HIS A 99 -7.285 -1.382 12.312 1.00 0.00 N ATOM 0 H HIS A 99 -6.902 -4.733 7.971 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.610 -6.262 10.142 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.939 -5.119 10.973 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -5.978 -4.035 9.597 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.977 -1.513 10.615 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.673 -2.113 13.828 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.215 -0.392 12.548 1.00 0.00 H new ATOM 1562 N LEU A 100 -9.418 -3.507 10.057 1.00 0.00 N ATOM 1563 CA LEU A 100 -10.677 -2.928 10.493 1.00 0.00 C ATOM 1564 C LEU A 100 -11.822 -3.874 10.127 1.00 0.00 C ATOM 1565 O LEU A 100 -12.668 -4.184 10.965 1.00 0.00 O ATOM 1566 CB LEU A 100 -10.842 -1.516 9.927 1.00 0.00 C ATOM 1567 CG LEU A 100 -10.258 -0.382 10.773 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -10.145 0.907 9.958 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -11.069 -0.181 12.055 1.00 0.00 C ATOM 0 H LEU A 100 -8.820 -2.875 9.524 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.689 -2.816 11.577 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.377 -1.484 8.942 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.906 -1.325 9.784 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.248 -0.663 11.072 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.727 1.697 10.582 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.493 0.739 9.101 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.134 1.205 9.609 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.633 0.630 12.638 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.099 0.069 11.799 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.054 -1.099 12.643 1.00 0.00 H new ATOM 1581 N GLY A 101 -11.812 -4.308 8.875 1.00 0.00 N ATOM 1582 CA GLY A 101 -12.839 -5.213 8.388 1.00 0.00 C ATOM 1583 C GLY A 101 -13.593 -4.602 7.206 1.00 0.00 C ATOM 1584 O GLY A 101 -14.815 -4.472 7.244 1.00 0.00 O ATOM 0 H GLY A 101 -11.109 -4.049 8.183 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.384 -6.156 8.085 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.539 -5.441 9.192 1.00 0.00 H new ATOM 1588 N VAL A 102 -12.832 -4.242 6.182 1.00 0.00 N ATOM 1589 CA VAL A 102 -13.413 -3.648 4.991 1.00 0.00 C ATOM 1590 C VAL A 102 -13.166 -4.569 3.794 1.00 0.00 C ATOM 1591 O VAL A 102 -14.069 -4.810 2.995 1.00 0.00 O ATOM 1592 CB VAL A 102 -12.855 -2.238 4.785 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -13.366 -1.632 3.475 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -13.193 -1.336 5.974 1.00 0.00 C ATOM 0 H VAL A 102 -11.818 -4.351 6.153 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.492 -3.544 5.104 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.770 -2.313 4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.955 -0.630 3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.053 -2.257 2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.454 -1.577 3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.785 -0.340 5.803 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.275 -1.271 6.085 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.760 -1.754 6.883 1.00 0.00 H new ATOM 1604 N ILE A 103 -11.937 -5.057 3.708 1.00 0.00 N ATOM 1605 CA ILE A 103 -11.560 -5.946 2.622 1.00 0.00 C ATOM 1606 C ILE A 103 -11.421 -7.372 3.161 1.00 0.00 C ATOM 1607 O ILE A 103 -11.526 -7.597 4.366 1.00 0.00 O ATOM 1608 CB ILE A 103 -10.303 -5.430 1.919 1.00 0.00 C ATOM 1609 CG1 ILE A 103 -9.235 -5.019 2.934 1.00 0.00 C ATOM 1610 CG2 ILE A 103 -10.644 -4.292 0.954 1.00 0.00 C ATOM 1611 CD1 ILE A 103 -7.894 -4.759 2.245 1.00 0.00 C ATOM 0 H ILE A 103 -11.190 -4.854 4.372 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.338 -5.967 1.859 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.886 -6.243 1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.557 -4.121 3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.118 -5.804 3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.734 -3.943 0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.344 -4.652 0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.098 -3.470 1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.153 -4.468 2.989 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.563 -5.666 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.009 -3.957 1.516 1.00 0.00 H new ATOM 1623 N GLU A 104 -11.186 -8.297 2.242 1.00 0.00 N ATOM 1624 CA GLU A 104 -11.032 -9.694 2.610 1.00 0.00 C ATOM 1625 C GLU A 104 -9.716 -10.246 2.057 1.00 0.00 C ATOM 1626 O GLU A 104 -9.279 -9.853 0.976 1.00 0.00 O ATOM 1627 CB GLU A 104 -12.222 -10.524 2.124 1.00 0.00 C ATOM 1628 CG GLU A 104 -12.411 -10.379 0.613 1.00 0.00 C ATOM 1629 CD GLU A 104 -13.425 -11.397 0.087 1.00 0.00 C ATOM 1630 OE1 GLU A 104 -14.610 -11.263 0.461 1.00 0.00 O ATOM 1631 OE2 GLU A 104 -12.992 -12.286 -0.677 1.00 0.00 O ATOM 0 H GLU A 104 -11.099 -8.106 1.244 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.004 -9.762 3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.065 -11.573 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.128 -10.205 2.640 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.750 -9.369 0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.455 -10.518 0.108 1.00 0.00 H new