USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=23 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 637 SER OG : rot 110:sc= -0.256 USER MOD Set 1.2: A 638 MET CE :methyl -140:sc= -9.46! (180deg=-9.96!) USER MOD Set 2.1: A 588 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 622 GLN : amide:sc= -2.34 K(o=-2.3,f=-6.5!) USER MOD Set 3.1: A 556 CYS SG : rot -155:sc= 0.26 USER MOD Set 3.2: A 559 CYS SG : rot -4:sc= -16.8! USER MOD Set 3.3: A 612 CYS SG : rot -152:sc= -1.54 USER MOD Set 3.4: A 615 CYS SG : rot 37:sc= -25! USER MOD Set 4.1: A 585 SER OG : rot 180:sc= 0.00266 USER MOD Set 4.2: A 586 ASN : amide:sc= -0.668 K(o=-0.67,f=0) USER MOD Set 5.1: A 579 ASN : amide:sc= -4.71! C(o=-7.2!,f=-6.7!) USER MOD Set 5.2: A 581 ASN : amide:sc= -2.5! C(o=-7.2!,f=-7.9!) USER MOD Set 6.1: A 553 GLN : amide:sc= -3.16! C(o=-11!,f=-11!) USER MOD Set 6.2: A 565 HIS : no HD1:sc= -7.83! K(o=-11!,f=-6.1) USER MOD Single : A 546 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.024) USER MOD Single : A 551 HIS : no HD1:sc= -1.45 X(o=-1.4,f=-1.5) USER MOD Single : A 558 ASN : amide:sc= -0.0272 K(o=-0.027,f=-1.6) USER MOD Single : A 560 MET CE :methyl -138:sc= -1.77 (180deg=-7.15!) USER MOD Single : A 567 SER OG : rot 180:sc= 0 USER MOD Single : A 571 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 575 THR OG1 : rot 171:sc= 0.521 USER MOD Single : A 576 HIS : no HD1:sc= -3.47! C(o=-3.5!,f=-3.6!) USER MOD Single : A 577 HIS : no HE2:sc= -13.4! C(o=-13!,f=-12!) USER MOD Single : A 583 ASN : amide:sc= -0.917 K(o=-0.92,f=-2.8!) USER MOD Single : A 587 TYR OH : rot -63:sc= 0.0313 USER MOD Single : A 589 ASN : amide:sc= -1.72! K(o=-1.7!,f=-0.59) USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 605 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 SER OG : rot 42:sc= 0.357 USER MOD Single : A 614 ASN : amide:sc= -3.48! K(o=-3.5!,f=-2.3) USER MOD Single : A 623 MET CE :methyl 171:sc= -0.53 (180deg=-0.708) USER MOD Single : A 625 TYR OH : rot 180:sc= 0 USER MOD Single : A 626 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 627 SER OG : rot -64:sc= 0.482 USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 LYS NZ :NH3+ -136:sc= 0.296 (180deg=0) USER MOD Single : A 642 THR OG1 : rot -90:sc= 0.653 USER MOD Single : A 644 GLN : amide:sc= 0.573 K(o=0.57,f=-0.0003) USER MOD Single : A 648 GLN : amide:sc= -6.37! C(o=-6.4!,f=-9.5!) USER MOD Single : A 650 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ -101:sc= -0.471 (180deg=-2.12!) USER MOD Single : A 653 SER OG : rot 180:sc= -0.0371 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 546 4.759 -6.587 2.458 1.00 41.33 N ATOM 57 CA GLN A 546 5.539 -6.996 3.613 1.00 10.25 C ATOM 58 C GLN A 546 4.613 -7.411 4.758 1.00 21.35 C ATOM 59 O GLN A 546 3.594 -6.768 5.002 1.00 53.51 O ATOM 60 CB GLN A 546 6.491 -5.882 4.055 1.00 72.24 C ATOM 61 CG GLN A 546 7.804 -5.942 3.272 1.00 4.43 C ATOM 62 CD GLN A 546 8.594 -4.640 3.427 1.00 22.44 C ATOM 63 OE1 GLN A 546 9.730 -4.623 3.872 1.00 43.11 O ATOM 64 NE2 GLN A 546 7.931 -3.555 3.037 1.00 24.41 N ATOM 0 HA GLN A 546 6.146 -7.857 3.331 1.00 10.25 H new ATOM 0 HB2 GLN A 546 6.017 -4.912 3.904 1.00 72.24 H new ATOM 0 HB3 GLN A 546 6.695 -5.974 5.122 1.00 72.24 H new ATOM 0 HG2 GLN A 546 8.404 -6.780 3.625 1.00 4.43 H new ATOM 0 HG3 GLN A 546 7.595 -6.122 2.217 1.00 4.43 H new ATOM 0 HE21 GLN A 546 6.982 -3.641 2.674 1.00 24.41 H new ATOM 0 HE22 GLN A 546 8.372 -2.637 3.101 1.00 24.41 H new ATOM 73 N PHE A 547 5.001 -8.485 5.431 1.00 3.20 N ATOM 74 CA PHE A 547 4.219 -8.994 6.545 1.00 53.34 C ATOM 75 C PHE A 547 5.074 -9.874 7.458 1.00 34.05 C ATOM 76 O PHE A 547 5.335 -11.034 7.142 1.00 0.43 O ATOM 77 CB PHE A 547 3.092 -9.840 5.949 1.00 31.23 C ATOM 78 CG PHE A 547 2.633 -9.380 4.564 1.00 11.12 C ATOM 79 CD1 PHE A 547 3.446 -9.549 3.487 1.00 4.34 C ATOM 80 CD2 PHE A 547 1.412 -8.802 4.410 1.00 54.12 C ATOM 81 CE1 PHE A 547 3.021 -9.121 2.202 1.00 75.40 C ATOM 82 CE2 PHE A 547 0.986 -8.375 3.124 1.00 13.43 C ATOM 83 CZ PHE A 547 1.799 -8.543 2.048 1.00 62.35 C ATOM 0 H PHE A 547 5.847 -9.017 5.226 1.00 3.20 H new ATOM 0 HA PHE A 547 3.835 -8.166 7.140 1.00 53.34 H new ATOM 0 HB2 PHE A 547 3.425 -10.876 5.884 1.00 31.23 H new ATOM 0 HB3 PHE A 547 2.239 -9.821 6.628 1.00 31.23 H new ATOM 0 HD1 PHE A 547 4.415 -10.009 3.609 1.00 4.34 H new ATOM 0 HD2 PHE A 547 0.766 -8.668 5.265 1.00 54.12 H new ATOM 0 HE1 PHE A 547 3.667 -9.254 1.347 1.00 75.40 H new ATOM 0 HE2 PHE A 547 0.016 -7.917 3.001 1.00 13.43 H new ATOM 0 HZ PHE A 547 1.475 -8.218 1.070 1.00 62.35 H new ATOM 93 N PRO A 548 5.496 -9.274 8.603 1.00 5.23 N ATOM 94 CA PRO A 548 6.316 -9.990 9.565 1.00 24.42 C ATOM 95 C PRO A 548 5.479 -10.994 10.360 1.00 75.20 C ATOM 96 O PRO A 548 4.340 -10.706 10.726 1.00 4.44 O ATOM 97 CB PRO A 548 6.934 -8.910 10.438 1.00 63.04 C ATOM 98 CG PRO A 548 6.080 -7.669 10.232 1.00 24.32 C ATOM 99 CD PRO A 548 5.206 -7.902 9.011 1.00 63.22 C ATOM 0 HA PRO A 548 7.091 -10.592 9.090 1.00 24.42 H new ATOM 0 HB2 PRO A 548 6.940 -9.211 11.486 1.00 63.04 H new ATOM 0 HB3 PRO A 548 7.970 -8.723 10.154 1.00 63.04 H new ATOM 0 HG2 PRO A 548 5.465 -7.479 11.111 1.00 24.32 H new ATOM 0 HG3 PRO A 548 6.710 -6.791 10.088 1.00 24.32 H new ATOM 0 HD2 PRO A 548 4.150 -7.775 9.250 1.00 63.22 H new ATOM 0 HD3 PRO A 548 5.440 -7.195 8.216 1.00 63.22 H new ATOM 107 N VAL A 549 6.074 -12.152 10.603 1.00 22.31 N ATOM 108 CA VAL A 549 5.397 -13.200 11.348 1.00 61.42 C ATOM 109 C VAL A 549 4.876 -12.627 12.667 1.00 24.44 C ATOM 110 O VAL A 549 3.728 -12.863 13.041 1.00 63.33 O ATOM 111 CB VAL A 549 6.335 -14.393 11.543 1.00 61.42 C ATOM 112 CG1 VAL A 549 6.769 -14.975 10.196 1.00 23.21 C ATOM 113 CG2 VAL A 549 7.549 -14.004 12.389 1.00 12.10 C ATOM 0 H VAL A 549 7.018 -12.388 10.297 1.00 22.31 H new ATOM 0 HA VAL A 549 4.536 -13.569 10.791 1.00 61.42 H new ATOM 0 HB VAL A 549 5.786 -15.166 12.081 1.00 61.42 H new ATOM 0 HG11 VAL A 549 7.435 -15.821 10.363 1.00 23.21 H new ATOM 0 HG12 VAL A 549 5.890 -15.308 9.644 1.00 23.21 H new ATOM 0 HG13 VAL A 549 7.291 -14.211 9.621 1.00 23.21 H new ATOM 0 HG21 VAL A 549 8.199 -14.870 12.512 1.00 12.10 H new ATOM 0 HG22 VAL A 549 8.099 -13.205 11.891 1.00 12.10 H new ATOM 0 HG23 VAL A 549 7.215 -13.659 13.368 1.00 12.10 H new ATOM 123 N GLU A 550 5.746 -11.885 13.338 1.00 72.45 N ATOM 124 CA GLU A 550 5.388 -11.277 14.608 1.00 41.14 C ATOM 125 C GLU A 550 4.111 -10.447 14.458 1.00 62.52 C ATOM 126 O GLU A 550 3.396 -10.221 15.433 1.00 41.13 O ATOM 127 CB GLU A 550 6.536 -10.423 15.149 1.00 42.20 C ATOM 128 CG GLU A 550 6.940 -9.345 14.141 1.00 4.01 C ATOM 129 CD GLU A 550 7.511 -8.116 14.852 1.00 64.22 C ATOM 130 OE1 GLU A 550 8.648 -7.709 14.569 1.00 52.31 O ATOM 131 OE2 GLU A 550 6.729 -7.579 15.726 1.00 70.33 O ATOM 0 H GLU A 550 6.698 -11.692 13.026 1.00 72.45 H new ATOM 0 HA GLU A 550 5.199 -12.072 15.329 1.00 41.14 H new ATOM 0 HB2 GLU A 550 6.235 -9.955 16.086 1.00 42.20 H new ATOM 0 HB3 GLU A 550 7.393 -11.058 15.371 1.00 42.20 H new ATOM 0 HG2 GLU A 550 7.681 -9.747 13.450 1.00 4.01 H new ATOM 0 HG3 GLU A 550 6.074 -9.056 13.546 1.00 4.01 H new ATOM 139 N HIS A 551 3.864 -10.017 13.229 1.00 33.34 N ATOM 140 CA HIS A 551 2.685 -9.218 12.940 1.00 44.15 C ATOM 141 C HIS A 551 1.584 -10.115 12.372 1.00 35.01 C ATOM 142 O HIS A 551 0.402 -9.788 12.466 1.00 54.41 O ATOM 143 CB HIS A 551 3.035 -8.051 12.014 1.00 0.22 C ATOM 144 CG HIS A 551 3.687 -6.884 12.717 1.00 63.01 C ATOM 145 ND1 HIS A 551 3.830 -5.639 12.129 1.00 61.41 N ATOM 146 CD2 HIS A 551 4.232 -6.786 13.964 1.00 51.25 C ATOM 147 CE1 HIS A 551 4.436 -4.836 12.991 1.00 33.43 C ATOM 148 NE2 HIS A 551 4.684 -5.549 14.128 1.00 44.15 N ATOM 0 H HIS A 551 4.460 -10.207 12.423 1.00 33.34 H new ATOM 0 HA HIS A 551 2.306 -8.775 13.861 1.00 44.15 H new ATOM 0 HB2 HIS A 551 3.703 -8.410 11.231 1.00 0.22 H new ATOM 0 HB3 HIS A 551 2.126 -7.704 11.523 1.00 0.22 H new ATOM 0 HD2 HIS A 551 4.286 -7.580 14.694 1.00 51.25 H new ATOM 0 HE1 HIS A 551 4.689 -3.800 12.823 1.00 33.43 H new ATOM 0 HE2 HIS A 551 5.142 -5.190 14.966 1.00 44.15 H new ATOM 156 N VAL A 552 2.010 -11.229 11.796 1.00 62.12 N ATOM 157 CA VAL A 552 1.075 -12.176 11.213 1.00 34.01 C ATOM 158 C VAL A 552 0.631 -13.173 12.285 1.00 32.22 C ATOM 159 O VAL A 552 1.459 -13.864 12.876 1.00 21.14 O ATOM 160 CB VAL A 552 1.705 -12.851 9.993 1.00 13.11 C ATOM 161 CG1 VAL A 552 0.773 -13.917 9.414 1.00 73.00 C ATOM 162 CG2 VAL A 552 2.084 -11.818 8.930 1.00 10.00 C ATOM 0 H VAL A 552 2.991 -11.497 11.720 1.00 62.12 H new ATOM 0 HA VAL A 552 0.182 -11.661 10.858 1.00 34.01 H new ATOM 0 HB VAL A 552 2.619 -13.347 10.319 1.00 13.11 H new ATOM 0 HG11 VAL A 552 1.245 -14.381 8.548 1.00 73.00 H new ATOM 0 HG12 VAL A 552 0.575 -14.677 10.170 1.00 73.00 H new ATOM 0 HG13 VAL A 552 -0.166 -13.454 9.111 1.00 73.00 H new ATOM 0 HG21 VAL A 552 2.530 -12.324 8.074 1.00 10.00 H new ATOM 0 HG22 VAL A 552 1.191 -11.281 8.610 1.00 10.00 H new ATOM 0 HG23 VAL A 552 2.802 -11.112 9.348 1.00 10.00 H new ATOM 172 N GLN A 553 -0.675 -13.216 12.503 1.00 33.44 N ATOM 173 CA GLN A 553 -1.239 -14.118 13.494 1.00 12.40 C ATOM 174 C GLN A 553 -1.968 -15.274 12.806 1.00 0.31 C ATOM 175 O GLN A 553 -2.177 -15.247 11.594 1.00 15.33 O ATOM 176 CB GLN A 553 -2.174 -13.370 14.447 1.00 50.44 C ATOM 177 CG GLN A 553 -2.511 -14.226 15.669 1.00 3.32 C ATOM 178 CD GLN A 553 -2.957 -13.353 16.844 1.00 54.44 C ATOM 179 OE1 GLN A 553 -2.462 -13.459 17.953 1.00 4.33 O ATOM 180 NE2 GLN A 553 -3.919 -12.486 16.538 1.00 31.15 N ATOM 0 H GLN A 553 -1.359 -12.641 12.011 1.00 33.44 H new ATOM 0 HA GLN A 553 -0.423 -14.531 14.087 1.00 12.40 H new ATOM 0 HB2 GLN A 553 -1.704 -12.441 14.768 1.00 50.44 H new ATOM 0 HB3 GLN A 553 -3.091 -13.099 13.924 1.00 50.44 H new ATOM 0 HG2 GLN A 553 -3.301 -14.933 15.416 1.00 3.32 H new ATOM 0 HG3 GLN A 553 -1.639 -14.813 15.958 1.00 3.32 H new ATOM 0 HE21 GLN A 553 -4.289 -12.449 15.588 1.00 31.15 H new ATOM 0 HE22 GLN A 553 -4.286 -11.858 17.253 1.00 31.15 H new ATOM 189 N LEU A 554 -2.334 -16.262 13.609 1.00 12.22 N ATOM 190 CA LEU A 554 -3.035 -17.425 13.093 1.00 71.22 C ATOM 191 C LEU A 554 -4.497 -17.374 13.540 1.00 75.04 C ATOM 192 O LEU A 554 -4.802 -17.611 14.707 1.00 31.15 O ATOM 193 CB LEU A 554 -2.312 -18.711 13.500 1.00 12.41 C ATOM 194 CG LEU A 554 -1.135 -19.127 12.616 1.00 70.21 C ATOM 195 CD1 LEU A 554 -0.973 -20.648 12.599 1.00 32.43 C ATOM 196 CD2 LEU A 554 -1.277 -18.551 11.206 1.00 55.51 C ATOM 0 H LEU A 554 -2.158 -16.281 14.614 1.00 12.22 H new ATOM 0 HA LEU A 554 -3.034 -17.417 12.003 1.00 71.22 H new ATOM 0 HB2 LEU A 554 -1.950 -18.593 14.521 1.00 12.41 H new ATOM 0 HB3 LEU A 554 -3.038 -19.524 13.511 1.00 12.41 H new ATOM 0 HG LEU A 554 -0.223 -18.710 13.044 1.00 70.21 H new ATOM 0 HD11 LEU A 554 -0.129 -20.917 11.963 1.00 32.43 H new ATOM 0 HD12 LEU A 554 -0.792 -21.006 13.613 1.00 32.43 H new ATOM 0 HD13 LEU A 554 -1.882 -21.106 12.209 1.00 32.43 H new ATOM 0 HD21 LEU A 554 -0.427 -18.862 10.599 1.00 55.51 H new ATOM 0 HD22 LEU A 554 -2.199 -18.917 10.755 1.00 55.51 H new ATOM 0 HD23 LEU A 554 -1.306 -17.463 11.259 1.00 55.51 H new ATOM 208 N LEU A 555 -5.364 -17.063 12.586 1.00 24.14 N ATOM 209 CA LEU A 555 -6.787 -16.978 12.867 1.00 3.21 C ATOM 210 C LEU A 555 -7.542 -17.938 11.946 1.00 12.11 C ATOM 211 O LEU A 555 -6.991 -18.515 11.009 1.00 4.25 O ATOM 212 CB LEU A 555 -7.266 -15.528 12.770 1.00 1.04 C ATOM 213 CG LEU A 555 -6.347 -14.475 13.393 1.00 41.11 C ATOM 214 CD1 LEU A 555 -4.989 -14.446 12.688 1.00 75.22 C ATOM 215 CD2 LEU A 555 -7.017 -13.099 13.403 1.00 62.44 C ATOM 0 H LEU A 555 -5.108 -16.867 11.618 1.00 24.14 H new ATOM 0 HA LEU A 555 -6.993 -17.290 13.891 1.00 3.21 H new ATOM 0 HB2 LEU A 555 -7.406 -15.282 11.717 1.00 1.04 H new ATOM 0 HB3 LEU A 555 -8.243 -15.456 13.247 1.00 1.04 H new ATOM 0 HG LEU A 555 -6.165 -14.752 14.431 1.00 41.11 H new ATOM 0 HD11 LEU A 555 -4.355 -13.689 13.150 1.00 75.22 H new ATOM 0 HD12 LEU A 555 -4.512 -15.422 12.777 1.00 75.22 H new ATOM 0 HD13 LEU A 555 -5.131 -14.206 11.634 1.00 75.22 H new ATOM 0 HD21 LEU A 555 -6.343 -12.369 13.851 1.00 62.44 H new ATOM 0 HD22 LEU A 555 -7.249 -12.800 12.381 1.00 62.44 H new ATOM 0 HD23 LEU A 555 -7.938 -13.147 13.984 1.00 62.44 H new ATOM 227 N CYS A 556 -8.830 -18.098 12.236 1.00 41.34 N ATOM 228 CA CYS A 556 -9.686 -18.980 11.453 1.00 54.25 C ATOM 229 C CYS A 556 -10.568 -18.178 10.499 1.00 1.14 C ATOM 230 O CYS A 556 -11.477 -17.487 10.958 1.00 62.34 O ATOM 231 CB CYS A 556 -10.559 -19.831 12.377 1.00 61.02 C ATOM 232 SG CYS A 556 -11.096 -21.411 11.645 1.00 51.32 S ATOM 0 H CYS A 556 -9.303 -17.628 13.008 1.00 41.34 H new ATOM 0 HA CYS A 556 -9.045 -19.636 10.863 1.00 54.25 H new ATOM 0 HB2 CYS A 556 -10.006 -20.037 13.294 1.00 61.02 H new ATOM 0 HB3 CYS A 556 -11.440 -19.255 12.659 1.00 61.02 H new ATOM 0 HG CYS A 556 -12.191 -21.807 12.223 1.00 51.32 H new ATOM 237 N ILE A 557 -10.284 -18.285 9.210 1.00 44.32 N ATOM 238 CA ILE A 557 -11.056 -17.565 8.211 1.00 20.50 C ATOM 239 C ILE A 557 -12.524 -17.525 8.640 1.00 51.20 C ATOM 240 O ILE A 557 -13.234 -16.565 8.345 1.00 12.23 O ATOM 241 CB ILE A 557 -10.837 -18.174 6.824 1.00 11.43 C ATOM 242 CG1 ILE A 557 -11.889 -19.242 6.522 1.00 74.41 C ATOM 243 CG2 ILE A 557 -9.413 -18.715 6.681 1.00 11.35 C ATOM 244 CD1 ILE A 557 -11.669 -19.852 5.136 1.00 20.32 C ATOM 0 H ILE A 557 -9.530 -18.859 8.834 1.00 44.32 H new ATOM 0 HA ILE A 557 -10.716 -16.532 8.138 1.00 20.50 H new ATOM 0 HB ILE A 557 -10.957 -17.385 6.082 1.00 11.43 H new ATOM 0 HG12 ILE A 557 -11.845 -20.025 7.279 1.00 74.41 H new ATOM 0 HG13 ILE A 557 -12.885 -18.802 6.576 1.00 74.41 H new ATOM 0 HG21 ILE A 557 -9.284 -19.142 5.686 1.00 11.35 H new ATOM 0 HG22 ILE A 557 -8.699 -17.903 6.823 1.00 11.35 H new ATOM 0 HG23 ILE A 557 -9.239 -19.486 7.432 1.00 11.35 H new ATOM 0 HD11 ILE A 557 -12.431 -20.608 4.946 1.00 20.32 H new ATOM 0 HD12 ILE A 557 -11.738 -19.070 4.379 1.00 20.32 H new ATOM 0 HD13 ILE A 557 -10.682 -20.312 5.094 1.00 20.32 H new ATOM 256 N ASN A 558 -12.935 -18.579 9.329 1.00 14.02 N ATOM 257 CA ASN A 558 -14.306 -18.676 9.802 1.00 50.14 C ATOM 258 C ASN A 558 -14.424 -17.977 11.158 1.00 71.04 C ATOM 259 O ASN A 558 -15.089 -16.949 11.274 1.00 35.13 O ATOM 260 CB ASN A 558 -14.724 -20.136 9.985 1.00 64.34 C ATOM 261 CG ASN A 558 -15.248 -20.725 8.673 1.00 15.15 C ATOM 262 OD1 ASN A 558 -14.875 -20.316 7.586 1.00 31.51 O ATOM 263 ND2 ASN A 558 -16.133 -21.705 8.836 1.00 0.41 N ATOM 0 H ASN A 558 -12.343 -19.373 9.571 1.00 14.02 H new ATOM 0 HA ASN A 558 -14.952 -18.206 9.060 1.00 50.14 H new ATOM 0 HB2 ASN A 558 -13.873 -20.720 10.336 1.00 64.34 H new ATOM 0 HB3 ASN A 558 -15.496 -20.204 10.752 1.00 64.34 H new ATOM 0 HD21 ASN A 558 -16.543 -22.163 8.022 1.00 0.41 H new ATOM 0 HD22 ASN A 558 -16.401 -21.999 9.775 1.00 0.41 H new ATOM 270 N CYS A 559 -13.768 -18.563 12.148 1.00 11.24 N ATOM 271 CA CYS A 559 -13.791 -18.009 13.492 1.00 71.23 C ATOM 272 C CYS A 559 -13.149 -16.621 13.450 1.00 33.02 C ATOM 273 O CYS A 559 -13.816 -15.617 13.698 1.00 60.42 O ATOM 274 CB CYS A 559 -13.094 -18.930 14.495 1.00 34.41 C ATOM 275 SG CYS A 559 -13.411 -20.716 14.247 1.00 54.54 S ATOM 0 H CYS A 559 -13.217 -19.416 12.047 1.00 11.24 H new ATOM 0 HA CYS A 559 -14.822 -17.921 13.835 1.00 71.23 H new ATOM 0 HB2 CYS A 559 -12.019 -18.755 14.441 1.00 34.41 H new ATOM 0 HB3 CYS A 559 -13.412 -18.655 15.501 1.00 34.41 H new ATOM 0 HG CYS A 559 -14.262 -20.875 13.277 1.00 54.54 H new ATOM 280 N MET A 560 -11.862 -16.608 13.135 1.00 35.33 N ATOM 281 CA MET A 560 -11.123 -15.360 13.058 1.00 12.33 C ATOM 282 C MET A 560 -10.971 -14.726 14.443 1.00 64.43 C ATOM 283 O MET A 560 -11.094 -13.512 14.591 1.00 54.43 O ATOM 284 CB MET A 560 -11.856 -14.389 12.131 1.00 52.35 C ATOM 285 CG MET A 560 -11.256 -14.416 10.723 1.00 32.53 C ATOM 286 SD MET A 560 -12.246 -13.424 9.618 1.00 3.21 S ATOM 287 CE MET A 560 -13.823 -14.239 9.797 1.00 34.34 C ATOM 0 H MET A 560 -11.312 -17.442 12.930 1.00 35.33 H new ATOM 0 HA MET A 560 -10.129 -15.572 12.665 1.00 12.33 H new ATOM 0 HB2 MET A 560 -12.913 -14.652 12.085 1.00 52.35 H new ATOM 0 HB3 MET A 560 -11.797 -13.379 12.536 1.00 52.35 H new ATOM 0 HG2 MET A 560 -10.234 -14.038 10.747 1.00 32.53 H new ATOM 0 HG3 MET A 560 -11.208 -15.442 10.359 1.00 32.53 H new ATOM 0 HE1 MET A 560 -14.297 -14.333 8.820 1.00 34.34 H new ATOM 0 HE2 MET A 560 -13.674 -15.230 10.225 1.00 34.34 H new ATOM 0 HE3 MET A 560 -14.463 -13.652 10.455 1.00 34.34 H new ATOM 297 N VAL A 561 -10.704 -15.578 15.422 1.00 61.32 N ATOM 298 CA VAL A 561 -10.533 -15.117 16.789 1.00 32.31 C ATOM 299 C VAL A 561 -9.096 -15.389 17.239 1.00 51.04 C ATOM 300 O VAL A 561 -8.780 -15.274 18.422 1.00 43.13 O ATOM 301 CB VAL A 561 -11.577 -15.772 17.696 1.00 11.23 C ATOM 302 CG1 VAL A 561 -12.882 -16.024 16.938 1.00 43.41 C ATOM 303 CG2 VAL A 561 -11.038 -17.067 18.306 1.00 33.42 C ATOM 0 H VAL A 561 -10.602 -16.585 15.295 1.00 61.32 H new ATOM 0 HA VAL A 561 -10.695 -14.041 16.852 1.00 32.31 H new ATOM 0 HB VAL A 561 -11.792 -15.082 18.512 1.00 11.23 H new ATOM 0 HG11 VAL A 561 -13.606 -16.490 17.606 1.00 43.41 H new ATOM 0 HG12 VAL A 561 -13.280 -15.077 16.575 1.00 43.41 H new ATOM 0 HG13 VAL A 561 -12.690 -16.685 16.093 1.00 43.41 H new ATOM 0 HG21 VAL A 561 -11.800 -17.512 18.946 1.00 33.42 H new ATOM 0 HG22 VAL A 561 -10.780 -17.765 17.509 1.00 33.42 H new ATOM 0 HG23 VAL A 561 -10.149 -16.848 18.898 1.00 33.42 H new ATOM 313 N ALA A 562 -8.264 -15.744 16.270 1.00 34.35 N ATOM 314 CA ALA A 562 -6.868 -16.033 16.552 1.00 74.33 C ATOM 315 C ALA A 562 -6.777 -17.285 17.427 1.00 74.14 C ATOM 316 O ALA A 562 -7.207 -17.274 18.579 1.00 53.00 O ATOM 317 CB ALA A 562 -6.217 -14.815 17.208 1.00 2.51 C ATOM 0 H ALA A 562 -8.530 -15.838 15.290 1.00 34.35 H new ATOM 0 HA ALA A 562 -6.324 -16.236 15.629 1.00 74.33 H new ATOM 0 HB1 ALA A 562 -5.170 -15.032 17.420 1.00 2.51 H new ATOM 0 HB2 ALA A 562 -6.282 -13.961 16.534 1.00 2.51 H new ATOM 0 HB3 ALA A 562 -6.735 -14.583 18.139 1.00 2.51 H new ATOM 323 N VAL A 563 -6.215 -18.335 16.846 1.00 40.44 N ATOM 324 CA VAL A 563 -6.062 -19.592 17.558 1.00 51.21 C ATOM 325 C VAL A 563 -4.584 -19.811 17.885 1.00 3.15 C ATOM 326 O VAL A 563 -4.248 -20.632 18.738 1.00 51.40 O ATOM 327 CB VAL A 563 -6.669 -20.734 16.740 1.00 2.21 C ATOM 328 CG1 VAL A 563 -8.175 -20.844 16.986 1.00 41.03 C ATOM 329 CG2 VAL A 563 -6.367 -20.562 15.250 1.00 12.51 C ATOM 0 H VAL A 563 -5.860 -18.341 15.890 1.00 40.44 H new ATOM 0 HA VAL A 563 -6.603 -19.564 18.504 1.00 51.21 H new ATOM 0 HB VAL A 563 -6.207 -21.665 17.069 1.00 2.21 H new ATOM 0 HG11 VAL A 563 -8.582 -21.663 16.393 1.00 41.03 H new ATOM 0 HG12 VAL A 563 -8.358 -21.036 18.043 1.00 41.03 H new ATOM 0 HG13 VAL A 563 -8.660 -19.911 16.697 1.00 41.03 H new ATOM 0 HG21 VAL A 563 -6.810 -21.387 14.691 1.00 12.51 H new ATOM 0 HG22 VAL A 563 -6.788 -19.619 14.900 1.00 12.51 H new ATOM 0 HG23 VAL A 563 -5.288 -20.557 15.096 1.00 12.51 H new ATOM 339 N GLY A 564 -3.739 -19.063 17.191 1.00 55.52 N ATOM 340 CA GLY A 564 -2.305 -19.165 17.397 1.00 3.42 C ATOM 341 C GLY A 564 -1.589 -17.906 16.902 1.00 23.41 C ATOM 342 O GLY A 564 -2.087 -16.795 17.076 1.00 23.23 O ATOM 0 H GLY A 564 -4.021 -18.383 16.485 1.00 55.52 H new ATOM 0 HA2 GLY A 564 -2.096 -19.314 18.456 1.00 3.42 H new ATOM 0 HA3 GLY A 564 -1.919 -20.038 16.870 1.00 3.42 H new ATOM 346 N HIS A 565 -0.431 -18.123 16.295 1.00 74.14 N ATOM 347 CA HIS A 565 0.358 -17.020 15.773 1.00 22.41 C ATOM 348 C HIS A 565 1.162 -17.493 14.560 1.00 75.22 C ATOM 349 O HIS A 565 1.483 -18.675 14.446 1.00 71.04 O ATOM 350 CB HIS A 565 1.239 -16.417 16.869 1.00 61.11 C ATOM 351 CG HIS A 565 0.468 -15.702 17.952 1.00 11.53 C ATOM 352 ND1 HIS A 565 0.518 -14.330 18.127 1.00 42.41 N ATOM 353 CD2 HIS A 565 -0.373 -16.182 18.913 1.00 4.53 C ATOM 354 CE1 HIS A 565 -0.260 -14.009 19.150 1.00 22.44 C ATOM 355 NE2 HIS A 565 -0.811 -15.159 19.637 1.00 44.43 N ATOM 0 H HIS A 565 -0.021 -19.046 16.153 1.00 74.14 H new ATOM 0 HA HIS A 565 -0.304 -16.221 15.438 1.00 22.41 H new ATOM 0 HB2 HIS A 565 1.831 -17.211 17.323 1.00 61.11 H new ATOM 0 HB3 HIS A 565 1.940 -15.717 16.414 1.00 61.11 H new ATOM 0 HD2 HIS A 565 -0.638 -17.219 19.060 1.00 4.53 H new ATOM 0 HE1 HIS A 565 -0.429 -13.013 19.532 1.00 22.44 H new ATOM 0 HE2 HIS A 565 -1.453 -15.222 20.427 1.00 44.43 H new ATOM 363 N GLY A 566 1.463 -16.546 13.684 1.00 13.31 N ATOM 364 CA GLY A 566 2.222 -16.850 12.483 1.00 23.35 C ATOM 365 C GLY A 566 3.726 -16.813 12.762 1.00 24.31 C ATOM 366 O GLY A 566 4.533 -17.062 11.868 1.00 43.04 O ATOM 0 H GLY A 566 1.195 -15.567 13.782 1.00 13.31 H new ATOM 0 HA2 GLY A 566 1.942 -17.835 12.111 1.00 23.35 H new ATOM 0 HA3 GLY A 566 1.976 -16.132 11.701 1.00 23.35 H new ATOM 370 N SER A 567 4.058 -16.501 14.006 1.00 12.12 N ATOM 371 CA SER A 567 5.451 -16.428 14.414 1.00 73.22 C ATOM 372 C SER A 567 5.766 -17.554 15.401 1.00 4.41 C ATOM 373 O SER A 567 6.886 -17.650 15.900 1.00 24.24 O ATOM 374 CB SER A 567 5.771 -15.069 15.038 1.00 5.22 C ATOM 375 OG SER A 567 5.217 -14.937 16.344 1.00 20.14 O ATOM 0 H SER A 567 3.386 -16.296 14.745 1.00 12.12 H new ATOM 0 HA SER A 567 6.075 -16.546 13.528 1.00 73.22 H new ATOM 0 HB2 SER A 567 6.852 -14.939 15.088 1.00 5.22 H new ATOM 0 HB3 SER A 567 5.384 -14.276 14.398 1.00 5.22 H new ATOM 0 HG SER A 567 5.445 -14.056 16.709 1.00 20.14 H new ATOM 381 N ASP A 568 4.759 -18.376 15.653 1.00 31.22 N ATOM 382 CA ASP A 568 4.915 -19.491 16.572 1.00 71.22 C ATOM 383 C ASP A 568 4.869 -20.804 15.787 1.00 43.54 C ATOM 384 O ASP A 568 5.315 -21.840 16.277 1.00 71.03 O ATOM 385 CB ASP A 568 3.785 -19.518 17.603 1.00 52.42 C ATOM 386 CG ASP A 568 4.035 -18.679 18.858 1.00 31.41 C ATOM 387 OD1 ASP A 568 3.683 -19.083 19.976 1.00 31.23 O ATOM 388 OD2 ASP A 568 4.626 -17.552 18.652 1.00 41.54 O ATOM 0 H ASP A 568 3.831 -18.293 15.237 1.00 31.22 H new ATOM 0 HA ASP A 568 5.869 -19.373 17.085 1.00 71.22 H new ATOM 0 HB2 ASP A 568 2.870 -19.167 17.126 1.00 52.42 H new ATOM 0 HB3 ASP A 568 3.612 -20.551 17.903 1.00 52.42 H new ATOM 394 N LEU A 569 4.327 -20.716 14.581 1.00 32.21 N ATOM 395 CA LEU A 569 4.217 -21.884 13.723 1.00 2.13 C ATOM 396 C LEU A 569 5.580 -22.178 13.093 1.00 51.23 C ATOM 397 O LEU A 569 6.423 -21.289 12.986 1.00 4.25 O ATOM 398 CB LEU A 569 3.095 -21.694 12.701 1.00 34.41 C ATOM 399 CG LEU A 569 3.026 -20.323 12.027 1.00 51.41 C ATOM 400 CD1 LEU A 569 4.425 -19.816 11.672 1.00 51.51 C ATOM 401 CD2 LEU A 569 2.102 -20.356 10.808 1.00 70.52 C ATOM 0 H LEU A 569 3.959 -19.854 14.178 1.00 32.21 H new ATOM 0 HA LEU A 569 3.939 -22.761 14.307 1.00 2.13 H new ATOM 0 HB2 LEU A 569 3.204 -22.453 11.926 1.00 34.41 H new ATOM 0 HB3 LEU A 569 2.143 -21.881 13.198 1.00 34.41 H new ATOM 0 HG LEU A 569 2.597 -19.615 12.736 1.00 51.41 H new ATOM 0 HD11 LEU A 569 4.348 -18.839 11.194 1.00 51.51 H new ATOM 0 HD12 LEU A 569 5.022 -19.729 12.580 1.00 51.51 H new ATOM 0 HD13 LEU A 569 4.904 -20.517 10.989 1.00 51.51 H new ATOM 0 HD21 LEU A 569 2.071 -19.368 10.348 1.00 70.52 H new ATOM 0 HD22 LEU A 569 2.478 -21.081 10.086 1.00 70.52 H new ATOM 0 HD23 LEU A 569 1.098 -20.642 11.120 1.00 70.52 H new ATOM 413 N ARG A 570 5.753 -23.428 12.691 1.00 72.32 N ATOM 414 CA ARG A 570 6.999 -23.851 12.074 1.00 53.54 C ATOM 415 C ARG A 570 6.716 -24.643 10.796 1.00 41.04 C ATOM 416 O ARG A 570 5.562 -24.796 10.399 1.00 61.44 O ATOM 417 CB ARG A 570 7.822 -24.715 13.030 1.00 31.42 C ATOM 418 CG ARG A 570 8.562 -23.850 14.052 1.00 22.22 C ATOM 419 CD ARG A 570 7.648 -23.481 15.223 1.00 65.24 C ATOM 420 NE ARG A 570 8.461 -23.167 16.419 1.00 13.51 N ATOM 421 CZ ARG A 570 7.958 -23.054 17.667 1.00 51.41 C ATOM 422 NH1 ARG A 570 6.639 -23.229 17.892 1.00 35.14 N ATOM 423 NH2 ARG A 570 8.776 -22.769 18.663 1.00 12.01 N ATOM 0 H ARG A 570 5.051 -24.162 12.780 1.00 72.32 H new ATOM 0 HA ARG A 570 7.570 -22.955 11.831 1.00 53.54 H new ATOM 0 HB2 ARG A 570 7.167 -25.416 13.548 1.00 31.42 H new ATOM 0 HB3 ARG A 570 8.539 -25.308 12.463 1.00 31.42 H new ATOM 0 HG2 ARG A 570 9.436 -24.386 14.423 1.00 22.22 H new ATOM 0 HG3 ARG A 570 8.926 -22.943 13.570 1.00 22.22 H new ATOM 0 HD2 ARG A 570 7.031 -22.623 14.957 1.00 65.24 H new ATOM 0 HD3 ARG A 570 6.970 -24.306 15.440 1.00 65.24 H new ATOM 0 HE ARG A 570 9.463 -23.027 16.293 1.00 13.51 H new ATOM 0 HH11 ARG A 570 6.014 -23.448 17.116 1.00 35.14 H new ATOM 0 HH12 ARG A 570 6.267 -23.142 18.838 1.00 35.14 H new ATOM 0 HH21 ARG A 570 9.772 -22.638 18.484 1.00 12.01 H new ATOM 0 HH22 ARG A 570 8.413 -22.680 19.612 1.00 12.01 H new ATOM 436 N LYS A 571 7.789 -25.125 10.187 1.00 25.40 N ATOM 437 CA LYS A 571 7.671 -25.898 8.962 1.00 24.22 C ATOM 438 C LYS A 571 8.257 -27.294 9.186 1.00 10.14 C ATOM 439 O LYS A 571 9.064 -27.494 10.093 1.00 34.22 O ATOM 440 CB LYS A 571 8.306 -25.146 7.791 1.00 41.02 C ATOM 441 CG LYS A 571 7.578 -25.456 6.481 1.00 22.11 C ATOM 442 CD LYS A 571 8.416 -25.029 5.274 1.00 72.40 C ATOM 443 CE LYS A 571 8.660 -23.519 5.283 1.00 65.12 C ATOM 444 NZ LYS A 571 8.899 -23.025 3.908 1.00 15.43 N ATOM 0 H LYS A 571 8.745 -24.995 10.519 1.00 25.40 H new ATOM 0 HA LYS A 571 6.623 -26.031 8.695 1.00 24.22 H new ATOM 0 HB2 LYS A 571 8.275 -24.074 7.983 1.00 41.02 H new ATOM 0 HB3 LYS A 571 9.356 -25.424 7.702 1.00 41.02 H new ATOM 0 HG2 LYS A 571 7.367 -26.524 6.422 1.00 22.11 H new ATOM 0 HG3 LYS A 571 6.618 -24.940 6.463 1.00 22.11 H new ATOM 0 HD2 LYS A 571 9.370 -25.555 5.285 1.00 72.40 H new ATOM 0 HD3 LYS A 571 7.906 -25.313 4.354 1.00 72.40 H new ATOM 0 HE2 LYS A 571 7.800 -23.008 5.715 1.00 65.12 H new ATOM 0 HE3 LYS A 571 9.518 -23.287 5.914 1.00 65.12 H new ATOM 0 HZ1 LYS A 571 9.063 -21.998 3.932 1.00 15.43 H new ATOM 0 HZ2 LYS A 571 9.734 -23.500 3.509 1.00 15.43 H new ATOM 0 HZ3 LYS A 571 8.068 -23.229 3.316 1.00 15.43 H new ATOM 457 N VAL A 572 7.828 -28.223 8.345 1.00 40.12 N ATOM 458 CA VAL A 572 8.300 -29.594 8.440 1.00 53.03 C ATOM 459 C VAL A 572 8.724 -30.080 7.052 1.00 4.34 C ATOM 460 O VAL A 572 7.880 -30.381 6.211 1.00 74.22 O ATOM 461 CB VAL A 572 7.223 -30.475 9.078 1.00 45.41 C ATOM 462 CG1 VAL A 572 7.362 -31.928 8.620 1.00 1.05 C ATOM 463 CG2 VAL A 572 7.266 -30.373 10.604 1.00 62.41 C ATOM 0 H VAL A 572 7.159 -28.053 7.594 1.00 40.12 H new ATOM 0 HA VAL A 572 9.175 -29.653 9.087 1.00 53.03 H new ATOM 0 HB VAL A 572 6.251 -30.111 8.746 1.00 45.41 H new ATOM 0 HG11 VAL A 572 6.585 -32.533 9.088 1.00 1.05 H new ATOM 0 HG12 VAL A 572 7.259 -31.979 7.536 1.00 1.05 H new ATOM 0 HG13 VAL A 572 8.342 -32.309 8.909 1.00 1.05 H new ATOM 0 HG21 VAL A 572 6.491 -31.008 11.033 1.00 62.41 H new ATOM 0 HG22 VAL A 572 8.242 -30.699 10.963 1.00 62.41 H new ATOM 0 HG23 VAL A 572 7.095 -29.339 10.905 1.00 62.41 H new ATOM 473 N GLU A 573 10.033 -30.141 6.857 1.00 4.40 N ATOM 474 CA GLU A 573 10.581 -30.585 5.586 1.00 14.43 C ATOM 475 C GLU A 573 9.742 -30.040 4.428 1.00 21.21 C ATOM 476 O GLU A 573 9.502 -30.743 3.447 1.00 14.34 O ATOM 477 CB GLU A 573 10.668 -32.111 5.530 1.00 35.11 C ATOM 478 CG GLU A 573 9.302 -32.748 5.796 1.00 22.23 C ATOM 479 CD GLU A 573 9.310 -34.234 5.431 1.00 30.14 C ATOM 480 OE1 GLU A 573 8.574 -34.654 4.526 1.00 42.11 O ATOM 481 OE2 GLU A 573 10.118 -34.962 6.125 1.00 1.35 O ATOM 0 H GLU A 573 10.730 -29.890 7.558 1.00 4.40 H new ATOM 0 HA GLU A 573 11.594 -30.193 5.491 1.00 14.43 H new ATOM 0 HB2 GLU A 573 11.034 -32.422 4.552 1.00 35.11 H new ATOM 0 HB3 GLU A 573 11.388 -32.465 6.267 1.00 35.11 H new ATOM 0 HG2 GLU A 573 9.040 -32.629 6.847 1.00 22.23 H new ATOM 0 HG3 GLU A 573 8.537 -32.232 5.217 1.00 22.23 H new ATOM 489 N GLY A 574 9.320 -28.794 4.580 1.00 42.52 N ATOM 490 CA GLY A 574 8.514 -28.147 3.559 1.00 53.14 C ATOM 491 C GLY A 574 7.475 -29.114 2.987 1.00 55.50 C ATOM 492 O GLY A 574 7.361 -29.261 1.771 1.00 25.11 O ATOM 0 H GLY A 574 9.521 -28.215 5.395 1.00 42.52 H new ATOM 0 HA2 GLY A 574 8.012 -27.278 3.984 1.00 53.14 H new ATOM 0 HA3 GLY A 574 9.158 -27.784 2.758 1.00 53.14 H new ATOM 496 N THR A 575 6.742 -29.747 3.891 1.00 11.01 N ATOM 497 CA THR A 575 5.716 -30.695 3.492 1.00 31.30 C ATOM 498 C THR A 575 4.324 -30.126 3.775 1.00 4.01 C ATOM 499 O THR A 575 3.461 -30.122 2.899 1.00 44.34 O ATOM 500 CB THR A 575 5.989 -32.018 4.211 1.00 1.21 C ATOM 501 OG1 THR A 575 7.053 -32.604 3.467 1.00 61.55 O ATOM 502 CG2 THR A 575 4.837 -33.014 4.063 1.00 42.12 C ATOM 0 H THR A 575 6.838 -29.622 4.899 1.00 11.01 H new ATOM 0 HA THR A 575 5.745 -30.880 2.418 1.00 31.30 H new ATOM 0 HB THR A 575 6.168 -31.826 5.269 1.00 1.21 H new ATOM 0 HG1 THR A 575 7.393 -33.389 3.945 1.00 61.55 H new ATOM 0 HG21 THR A 575 5.082 -33.935 4.592 1.00 42.12 H new ATOM 0 HG22 THR A 575 3.928 -32.585 4.485 1.00 42.12 H new ATOM 0 HG23 THR A 575 4.679 -33.233 3.007 1.00 42.12 H new ATOM 510 N HIS A 576 4.150 -29.659 5.003 1.00 75.14 N ATOM 511 CA HIS A 576 2.878 -29.089 5.412 1.00 15.42 C ATOM 512 C HIS A 576 3.069 -28.276 6.694 1.00 13.42 C ATOM 513 O HIS A 576 3.250 -28.841 7.771 1.00 35.43 O ATOM 514 CB HIS A 576 1.814 -30.179 5.555 1.00 72.02 C ATOM 515 CG HIS A 576 1.316 -30.727 4.239 1.00 63.44 C ATOM 516 ND1 HIS A 576 1.417 -32.065 3.898 1.00 43.15 N ATOM 517 CD2 HIS A 576 0.713 -30.106 3.185 1.00 11.21 C ATOM 518 CE1 HIS A 576 0.896 -32.229 2.691 1.00 60.23 C ATOM 519 NE2 HIS A 576 0.460 -31.014 2.251 1.00 45.14 N ATOM 0 H HIS A 576 4.868 -29.664 5.727 1.00 75.14 H new ATOM 0 HA HIS A 576 2.516 -28.409 4.641 1.00 15.42 H new ATOM 0 HB2 HIS A 576 2.224 -30.998 6.146 1.00 72.02 H new ATOM 0 HB3 HIS A 576 0.968 -29.776 6.113 1.00 72.02 H new ATOM 0 HD2 HIS A 576 0.481 -29.053 3.121 1.00 11.21 H new ATOM 0 HE1 HIS A 576 0.828 -33.161 2.150 1.00 60.23 H new ATOM 0 HE2 HIS A 576 0.013 -30.833 1.352 1.00 45.14 H new ATOM 527 N HIS A 577 3.022 -26.961 6.535 1.00 23.15 N ATOM 528 CA HIS A 577 3.188 -26.064 7.667 1.00 61.33 C ATOM 529 C HIS A 577 2.431 -26.618 8.875 1.00 13.55 C ATOM 530 O HIS A 577 1.277 -27.026 8.756 1.00 54.12 O ATOM 531 CB HIS A 577 2.761 -24.642 7.299 1.00 11.15 C ATOM 532 CG HIS A 577 3.334 -24.146 5.993 1.00 21.51 C ATOM 533 ND1 HIS A 577 4.407 -23.274 5.928 1.00 73.31 N ATOM 534 CD2 HIS A 577 2.974 -24.411 4.704 1.00 15.35 C ATOM 535 CE1 HIS A 577 4.671 -23.031 4.653 1.00 54.44 C ATOM 536 NE2 HIS A 577 3.781 -23.735 3.896 1.00 30.40 N ATOM 0 H HIS A 577 2.871 -26.495 5.640 1.00 23.15 H new ATOM 0 HA HIS A 577 4.242 -26.005 7.939 1.00 61.33 H new ATOM 0 HB2 HIS A 577 1.673 -24.603 7.244 1.00 11.15 H new ATOM 0 HB3 HIS A 577 3.064 -23.965 8.097 1.00 11.15 H new ATOM 0 HD1 HIS A 577 4.909 -22.885 6.726 1.00 73.31 H new ATOM 0 HD2 HIS A 577 2.169 -25.061 4.394 1.00 15.35 H new ATOM 0 HE1 HIS A 577 5.454 -22.388 4.278 1.00 54.44 H new ATOM 544 N VAL A 578 3.111 -26.613 10.012 1.00 21.03 N ATOM 545 CA VAL A 578 2.517 -27.109 11.242 1.00 30.30 C ATOM 546 C VAL A 578 2.697 -26.067 12.347 1.00 1.23 C ATOM 547 O VAL A 578 3.810 -25.845 12.821 1.00 44.11 O ATOM 548 CB VAL A 578 3.117 -28.471 11.601 1.00 54.53 C ATOM 549 CG1 VAL A 578 2.792 -29.512 10.528 1.00 31.33 C ATOM 550 CG2 VAL A 578 4.627 -28.363 11.822 1.00 73.32 C ATOM 0 H VAL A 578 4.068 -26.273 10.107 1.00 21.03 H new ATOM 0 HA VAL A 578 1.446 -27.264 11.113 1.00 30.30 H new ATOM 0 HB VAL A 578 2.665 -28.802 12.536 1.00 54.53 H new ATOM 0 HG11 VAL A 578 3.230 -30.471 10.807 1.00 31.33 H new ATOM 0 HG12 VAL A 578 1.711 -29.618 10.440 1.00 31.33 H new ATOM 0 HG13 VAL A 578 3.204 -29.190 9.572 1.00 31.33 H new ATOM 0 HG21 VAL A 578 5.029 -29.344 12.076 1.00 73.32 H new ATOM 0 HG22 VAL A 578 5.103 -28.001 10.911 1.00 73.32 H new ATOM 0 HG23 VAL A 578 4.827 -27.667 12.637 1.00 73.32 H new ATOM 560 N ASN A 579 1.585 -25.455 12.726 1.00 12.32 N ATOM 561 CA ASN A 579 1.606 -24.441 13.767 1.00 52.21 C ATOM 562 C ASN A 579 1.651 -25.122 15.136 1.00 64.30 C ATOM 563 O ASN A 579 0.663 -25.708 15.575 1.00 12.00 O ATOM 564 CB ASN A 579 0.349 -23.571 13.714 1.00 54.34 C ATOM 565 CG ASN A 579 0.160 -22.799 15.021 1.00 33.33 C ATOM 566 OD1 ASN A 579 -0.946 -22.564 15.479 1.00 34.13 O ATOM 567 ND2 ASN A 579 1.298 -22.420 15.595 1.00 41.12 N ATOM 0 H ASN A 579 0.663 -25.642 12.331 1.00 12.32 H new ATOM 0 HA ASN A 579 2.485 -23.816 13.610 1.00 52.21 H new ATOM 0 HB2 ASN A 579 0.422 -22.871 12.882 1.00 54.34 H new ATOM 0 HB3 ASN A 579 -0.523 -24.197 13.528 1.00 54.34 H new ATOM 0 HD21 ASN A 579 1.278 -21.900 16.472 1.00 41.12 H new ATOM 0 HD22 ASN A 579 2.191 -22.650 15.158 1.00 41.12 H new ATOM 574 N VAL A 580 2.809 -25.023 15.772 1.00 21.35 N ATOM 575 CA VAL A 580 2.997 -25.623 17.083 1.00 55.13 C ATOM 576 C VAL A 580 2.437 -24.684 18.153 1.00 34.12 C ATOM 577 O VAL A 580 2.597 -23.468 18.063 1.00 5.01 O ATOM 578 CB VAL A 580 4.473 -25.961 17.297 1.00 23.02 C ATOM 579 CG1 VAL A 580 4.641 -27.013 18.396 1.00 40.53 C ATOM 580 CG2 VAL A 580 5.125 -26.422 15.992 1.00 21.41 C ATOM 0 H VAL A 580 3.627 -24.536 15.404 1.00 21.35 H new ATOM 0 HA VAL A 580 2.449 -26.562 17.156 1.00 55.13 H new ATOM 0 HB VAL A 580 4.981 -25.053 17.622 1.00 23.02 H new ATOM 0 HG11 VAL A 580 5.700 -27.235 18.528 1.00 40.53 H new ATOM 0 HG12 VAL A 580 4.231 -26.631 19.331 1.00 40.53 H new ATOM 0 HG13 VAL A 580 4.112 -27.923 18.113 1.00 40.53 H new ATOM 0 HG21 VAL A 580 6.174 -26.656 16.172 1.00 21.41 H new ATOM 0 HG22 VAL A 580 4.613 -27.311 15.624 1.00 21.41 H new ATOM 0 HG23 VAL A 580 5.053 -25.628 15.249 1.00 21.41 H new ATOM 590 N ASN A 581 1.791 -25.284 19.142 1.00 34.40 N ATOM 591 CA ASN A 581 1.206 -24.517 20.229 1.00 70.13 C ATOM 592 C ASN A 581 0.518 -25.470 21.208 1.00 74.44 C ATOM 593 O ASN A 581 -0.293 -26.302 20.803 1.00 14.03 O ATOM 594 CB ASN A 581 0.155 -23.536 19.707 1.00 50.44 C ATOM 595 CG ASN A 581 0.781 -22.173 19.402 1.00 74.02 C ATOM 596 OD1 ASN A 581 0.695 -21.654 18.301 1.00 11.21 O ATOM 597 ND2 ASN A 581 1.413 -21.625 20.435 1.00 1.14 N ATOM 0 H ASN A 581 1.660 -26.293 19.213 1.00 34.40 H new ATOM 0 HA ASN A 581 2.006 -23.962 20.719 1.00 70.13 H new ATOM 0 HB2 ASN A 581 -0.307 -23.938 18.805 1.00 50.44 H new ATOM 0 HB3 ASN A 581 -0.638 -23.419 20.446 1.00 50.44 H new ATOM 0 HD21 ASN A 581 1.864 -20.716 20.333 1.00 1.14 H new ATOM 0 HD22 ASN A 581 1.447 -22.114 21.330 1.00 1.14 H new ATOM 604 N PRO A 582 0.876 -25.314 22.510 1.00 13.33 N ATOM 605 CA PRO A 582 0.302 -26.151 23.550 1.00 14.41 C ATOM 606 C PRO A 582 -1.137 -25.732 23.859 1.00 12.41 C ATOM 607 O PRO A 582 -1.975 -26.571 24.186 1.00 11.44 O ATOM 608 CB PRO A 582 1.234 -25.995 24.740 1.00 3.21 C ATOM 609 CG PRO A 582 2.030 -24.726 24.483 1.00 42.35 C ATOM 610 CD PRO A 582 1.833 -24.339 23.026 1.00 70.32 C ATOM 0 HA PRO A 582 0.227 -27.197 23.254 1.00 14.41 H new ATOM 0 HB2 PRO A 582 0.671 -25.921 25.670 1.00 3.21 H new ATOM 0 HB3 PRO A 582 1.894 -26.857 24.835 1.00 3.21 H new ATOM 0 HG2 PRO A 582 1.693 -23.924 25.140 1.00 42.35 H new ATOM 0 HG3 PRO A 582 3.087 -24.889 24.695 1.00 42.35 H new ATOM 0 HD2 PRO A 582 1.451 -23.322 22.934 1.00 70.32 H new ATOM 0 HD3 PRO A 582 2.773 -24.377 22.475 1.00 70.32 H new ATOM 618 N ASN A 583 -1.379 -24.434 23.744 1.00 35.22 N ATOM 619 CA ASN A 583 -2.702 -23.894 24.007 1.00 14.31 C ATOM 620 C ASN A 583 -3.594 -24.121 22.785 1.00 62.44 C ATOM 621 O ASN A 583 -4.763 -23.738 22.784 1.00 23.42 O ATOM 622 CB ASN A 583 -2.640 -22.388 24.273 1.00 64.34 C ATOM 623 CG ASN A 583 -1.341 -22.011 24.988 1.00 22.40 C ATOM 624 OD1 ASN A 583 -0.685 -22.830 25.611 1.00 63.01 O ATOM 625 ND2 ASN A 583 -1.008 -20.730 24.865 1.00 45.24 N ATOM 0 H ASN A 583 -0.681 -23.741 23.472 1.00 35.22 H new ATOM 0 HA ASN A 583 -3.103 -24.400 24.885 1.00 14.31 H new ATOM 0 HB2 ASN A 583 -2.711 -21.845 23.330 1.00 64.34 H new ATOM 0 HB3 ASN A 583 -3.494 -22.087 24.880 1.00 64.34 H new ATOM 0 HD21 ASN A 583 -0.158 -20.379 25.307 1.00 45.24 H new ATOM 0 HD22 ASN A 583 -1.602 -20.098 24.329 1.00 45.24 H new ATOM 632 N PHE A 584 -3.008 -24.744 21.773 1.00 63.05 N ATOM 633 CA PHE A 584 -3.734 -25.027 20.546 1.00 32.34 C ATOM 634 C PHE A 584 -4.742 -26.160 20.755 1.00 3.32 C ATOM 635 O PHE A 584 -5.784 -26.197 20.102 1.00 5.32 O ATOM 636 CB PHE A 584 -2.702 -25.465 19.506 1.00 44.23 C ATOM 637 CG PHE A 584 -3.063 -25.079 18.070 1.00 51.21 C ATOM 638 CD1 PHE A 584 -3.118 -23.768 17.712 1.00 54.03 C ATOM 639 CD2 PHE A 584 -3.329 -26.046 17.152 1.00 32.41 C ATOM 640 CE1 PHE A 584 -3.454 -23.410 16.379 1.00 0.33 C ATOM 641 CE2 PHE A 584 -3.665 -25.688 15.820 1.00 62.24 C ATOM 642 CZ PHE A 584 -3.720 -24.377 15.461 1.00 31.34 C ATOM 0 H PHE A 584 -2.038 -25.061 21.777 1.00 63.05 H new ATOM 0 HA PHE A 584 -4.283 -24.141 20.226 1.00 32.34 H new ATOM 0 HB2 PHE A 584 -1.738 -25.024 19.758 1.00 44.23 H new ATOM 0 HB3 PHE A 584 -2.582 -26.547 19.561 1.00 44.23 H new ATOM 0 HD1 PHE A 584 -2.906 -23.000 18.441 1.00 54.03 H new ATOM 0 HD2 PHE A 584 -3.285 -27.087 17.436 1.00 32.41 H new ATOM 0 HE1 PHE A 584 -3.498 -22.369 16.095 1.00 0.33 H new ATOM 0 HE2 PHE A 584 -3.877 -26.457 15.092 1.00 62.24 H new ATOM 0 HZ PHE A 584 -3.975 -24.105 14.447 1.00 31.34 H new ATOM 652 N SER A 585 -4.396 -27.056 21.668 1.00 41.31 N ATOM 653 CA SER A 585 -5.257 -28.186 21.971 1.00 71.11 C ATOM 654 C SER A 585 -6.633 -27.690 22.421 1.00 61.14 C ATOM 655 O SER A 585 -7.623 -28.411 22.309 1.00 15.34 O ATOM 656 CB SER A 585 -4.636 -29.078 23.048 1.00 75.23 C ATOM 657 OG SER A 585 -4.780 -28.520 24.351 1.00 33.42 O ATOM 0 H SER A 585 -3.531 -27.022 22.208 1.00 41.31 H new ATOM 0 HA SER A 585 -5.371 -28.782 21.065 1.00 71.11 H new ATOM 0 HB2 SER A 585 -5.107 -30.061 23.020 1.00 75.23 H new ATOM 0 HB3 SER A 585 -3.578 -29.225 22.831 1.00 75.23 H new ATOM 0 HG SER A 585 -4.373 -29.120 25.010 1.00 33.42 H new ATOM 663 N ASN A 586 -6.650 -26.463 22.919 1.00 0.41 N ATOM 664 CA ASN A 586 -7.888 -25.862 23.386 1.00 2.31 C ATOM 665 C ASN A 586 -8.587 -25.168 22.215 1.00 63.41 C ATOM 666 O ASN A 586 -9.780 -24.879 22.283 1.00 74.31 O ATOM 667 CB ASN A 586 -7.617 -24.811 24.464 1.00 12.34 C ATOM 668 CG ASN A 586 -7.571 -25.450 25.854 1.00 51.22 C ATOM 669 OD1 ASN A 586 -8.237 -25.025 26.783 1.00 13.14 O ATOM 670 ND2 ASN A 586 -6.750 -26.492 25.943 1.00 44.11 N ATOM 0 H ASN A 586 -5.826 -25.868 23.010 1.00 0.41 H new ATOM 0 HA ASN A 586 -8.511 -26.654 23.802 1.00 2.31 H new ATOM 0 HB2 ASN A 586 -6.671 -24.310 24.259 1.00 12.34 H new ATOM 0 HB3 ASN A 586 -8.395 -24.048 24.436 1.00 12.34 H new ATOM 0 HD21 ASN A 586 -6.649 -26.987 26.829 1.00 44.11 H new ATOM 0 HD22 ASN A 586 -6.221 -26.796 25.125 1.00 44.11 H new ATOM 677 N TYR A 587 -7.813 -24.922 21.168 1.00 52.30 N ATOM 678 CA TYR A 587 -8.343 -24.268 19.984 1.00 51.35 C ATOM 679 C TYR A 587 -8.799 -25.297 18.947 1.00 43.54 C ATOM 680 O TYR A 587 -9.200 -24.934 17.842 1.00 44.13 O ATOM 681 CB TYR A 587 -7.188 -23.451 19.401 1.00 53.24 C ATOM 682 CG TYR A 587 -7.068 -22.041 19.982 1.00 51.31 C ATOM 683 CD1 TYR A 587 -8.155 -21.190 19.960 1.00 64.15 C ATOM 684 CD2 TYR A 587 -5.873 -21.619 20.529 1.00 61.23 C ATOM 685 CE1 TYR A 587 -8.041 -19.863 20.507 1.00 54.14 C ATOM 686 CE2 TYR A 587 -5.760 -20.292 21.076 1.00 62.03 C ATOM 687 CZ TYR A 587 -6.850 -19.479 21.038 1.00 64.43 C ATOM 688 OH TYR A 587 -6.743 -18.226 21.554 1.00 3.14 O ATOM 0 H TYR A 587 -6.823 -25.164 21.115 1.00 52.30 H new ATOM 0 HA TYR A 587 -9.204 -23.651 20.239 1.00 51.35 H new ATOM 0 HB2 TYR A 587 -6.254 -23.985 19.575 1.00 53.24 H new ATOM 0 HB3 TYR A 587 -7.317 -23.378 18.321 1.00 53.24 H new ATOM 0 HD1 TYR A 587 -9.090 -21.520 19.533 1.00 64.15 H new ATOM 0 HD2 TYR A 587 -5.023 -22.284 20.547 1.00 61.23 H new ATOM 0 HE1 TYR A 587 -8.883 -19.187 20.496 1.00 54.14 H new ATOM 0 HE2 TYR A 587 -4.831 -19.950 21.507 1.00 62.03 H new ATOM 0 HH TYR A 587 -6.878 -17.566 20.842 1.00 3.14 H new ATOM 698 N TYR A 588 -8.722 -26.559 19.340 1.00 62.43 N ATOM 699 CA TYR A 588 -9.121 -27.643 18.458 1.00 32.21 C ATOM 700 C TYR A 588 -9.318 -28.943 19.241 1.00 11.22 C ATOM 701 O TYR A 588 -8.805 -29.087 20.350 1.00 75.41 O ATOM 702 CB TYR A 588 -7.969 -27.828 17.468 1.00 14.22 C ATOM 703 CG TYR A 588 -6.804 -28.654 18.017 1.00 40.55 C ATOM 704 CD1 TYR A 588 -6.967 -30.003 18.257 1.00 40.12 C ATOM 705 CD2 TYR A 588 -5.590 -28.049 18.271 1.00 64.20 C ATOM 706 CE1 TYR A 588 -5.870 -30.780 18.773 1.00 51.01 C ATOM 707 CE2 TYR A 588 -4.493 -28.826 18.787 1.00 23.31 C ATOM 708 CZ TYR A 588 -4.687 -30.153 19.013 1.00 70.45 C ATOM 709 OH TYR A 588 -3.651 -30.887 19.500 1.00 71.40 O ATOM 0 H TYR A 588 -8.389 -26.856 20.257 1.00 62.43 H new ATOM 0 HA TYR A 588 -10.063 -27.408 17.963 1.00 32.21 H new ATOM 0 HB2 TYR A 588 -8.351 -28.310 16.568 1.00 14.22 H new ATOM 0 HB3 TYR A 588 -7.598 -26.847 17.171 1.00 14.22 H new ATOM 0 HD1 TYR A 588 -7.917 -30.476 18.058 1.00 40.12 H new ATOM 0 HD2 TYR A 588 -5.463 -26.993 18.083 1.00 64.20 H new ATOM 0 HE1 TYR A 588 -5.984 -31.837 18.965 1.00 51.01 H new ATOM 0 HE2 TYR A 588 -3.538 -28.365 18.990 1.00 23.31 H new ATOM 0 HH TYR A 588 -2.869 -30.309 19.622 1.00 71.40 H new ATOM 719 N ASN A 589 -10.062 -29.855 18.634 1.00 70.53 N ATOM 720 CA ASN A 589 -10.333 -31.138 19.260 1.00 20.22 C ATOM 721 C ASN A 589 -10.168 -32.252 18.224 1.00 4.13 C ATOM 722 O ASN A 589 -10.732 -32.179 17.134 1.00 62.03 O ATOM 723 CB ASN A 589 -11.765 -31.199 19.795 1.00 53.54 C ATOM 724 CG ASN A 589 -11.924 -30.323 21.039 1.00 5.21 C ATOM 725 OD1 ASN A 589 -11.887 -30.788 22.166 1.00 23.43 O ATOM 726 ND2 ASN A 589 -12.101 -29.032 20.773 1.00 14.12 N ATOM 0 H ASN A 589 -10.486 -29.731 17.715 1.00 70.53 H new ATOM 0 HA ASN A 589 -9.633 -31.263 20.086 1.00 20.22 H new ATOM 0 HB2 ASN A 589 -12.460 -30.869 19.023 1.00 53.54 H new ATOM 0 HB3 ASN A 589 -12.023 -32.230 20.037 1.00 53.54 H new ATOM 0 HD21 ASN A 589 -12.216 -28.365 21.536 1.00 14.12 H new ATOM 0 HD22 ASN A 589 -12.122 -28.709 19.806 1.00 14.12 H new ATOM 733 N VAL A 590 -9.391 -33.257 18.602 1.00 73.01 N ATOM 734 CA VAL A 590 -9.145 -34.385 17.719 1.00 5.52 C ATOM 735 C VAL A 590 -10.406 -35.246 17.634 1.00 53.41 C ATOM 736 O VAL A 590 -11.086 -35.458 18.637 1.00 53.23 O ATOM 737 CB VAL A 590 -7.919 -35.166 18.198 1.00 10.50 C ATOM 738 CG1 VAL A 590 -7.878 -36.560 17.570 1.00 31.23 C ATOM 739 CG2 VAL A 590 -6.630 -34.395 17.907 1.00 43.11 C ATOM 0 H VAL A 590 -8.924 -33.314 19.507 1.00 73.01 H new ATOM 0 HA VAL A 590 -8.920 -34.038 16.710 1.00 5.52 H new ATOM 0 HB VAL A 590 -8.000 -35.288 19.278 1.00 10.50 H new ATOM 0 HG11 VAL A 590 -6.997 -37.094 17.927 1.00 31.23 H new ATOM 0 HG12 VAL A 590 -8.775 -37.112 17.850 1.00 31.23 H new ATOM 0 HG13 VAL A 590 -7.832 -36.469 16.485 1.00 31.23 H new ATOM 0 HG21 VAL A 590 -5.774 -34.972 18.257 1.00 43.11 H new ATOM 0 HG22 VAL A 590 -6.540 -34.228 16.834 1.00 43.11 H new ATOM 0 HG23 VAL A 590 -6.656 -33.435 18.423 1.00 43.11 H new ATOM 749 N SER A 591 -10.681 -35.718 16.427 1.00 20.41 N ATOM 750 CA SER A 591 -11.849 -36.552 16.198 1.00 51.32 C ATOM 751 C SER A 591 -11.891 -37.688 17.222 1.00 45.13 C ATOM 752 O SER A 591 -10.848 -38.192 17.637 1.00 75.51 O ATOM 753 CB SER A 591 -11.851 -37.118 14.776 1.00 13.34 C ATOM 754 OG SER A 591 -13.094 -37.735 14.449 1.00 4.35 O ATOM 0 H SER A 591 -10.115 -35.539 15.597 1.00 20.41 H new ATOM 0 HA SER A 591 -12.739 -35.934 16.315 1.00 51.32 H new ATOM 0 HB2 SER A 591 -11.646 -36.316 14.066 1.00 13.34 H new ATOM 0 HB3 SER A 591 -11.047 -37.847 14.675 1.00 13.34 H new ATOM 0 HG SER A 591 -13.056 -38.082 13.533 1.00 4.35 H new ATOM 966 N TRP A 604 6.899 -38.709 9.919 1.00 51.11 N ATOM 967 CA TRP A 604 6.052 -38.517 11.084 1.00 74.43 C ATOM 968 C TRP A 604 4.915 -39.539 11.015 1.00 71.33 C ATOM 969 O TRP A 604 4.792 -40.271 10.034 1.00 62.31 O ATOM 970 CB TRP A 604 5.553 -37.073 11.168 1.00 60.44 C ATOM 971 CG TRP A 604 4.837 -36.588 9.905 1.00 4.25 C ATOM 972 CD1 TRP A 604 4.521 -37.295 8.812 1.00 25.42 C ATOM 973 CD2 TRP A 604 4.358 -35.251 9.649 1.00 3.23 C ATOM 974 NE1 TRP A 604 3.877 -36.516 7.874 1.00 55.51 N ATOM 975 CE2 TRP A 604 3.774 -35.233 8.399 1.00 1.32 C ATOM 976 CE3 TRP A 604 4.417 -34.095 10.448 1.00 55.14 C ATOM 977 CZ2 TRP A 604 3.204 -34.085 7.836 1.00 13.21 C ATOM 978 CZ3 TRP A 604 3.842 -32.956 9.870 1.00 2.14 C ATOM 979 CH2 TRP A 604 3.250 -32.921 8.613 1.00 23.32 C ATOM 0 HA TRP A 604 6.616 -38.684 12.002 1.00 74.43 H new ATOM 0 HB2 TRP A 604 4.874 -36.983 12.016 1.00 60.44 H new ATOM 0 HB3 TRP A 604 6.401 -36.417 11.367 1.00 60.44 H new ATOM 0 HD1 TRP A 604 4.743 -38.344 8.682 1.00 25.42 H new ATOM 0 HE1 TRP A 604 3.538 -36.824 6.963 1.00 55.51 H new ATOM 0 HE3 TRP A 604 4.869 -34.086 11.429 1.00 55.14 H new ATOM 0 HZ2 TRP A 604 2.753 -34.097 6.855 1.00 13.21 H new ATOM 0 HZ3 TRP A 604 3.860 -32.040 10.442 1.00 2.14 H new ATOM 0 HH2 TRP A 604 2.828 -32.001 8.237 1.00 23.32 H new ATOM 990 N LYS A 605 4.113 -39.556 12.069 1.00 74.21 N ATOM 991 CA LYS A 605 2.990 -40.476 12.140 1.00 21.23 C ATOM 992 C LYS A 605 1.688 -39.679 12.232 1.00 54.42 C ATOM 993 O LYS A 605 1.693 -38.520 12.646 1.00 74.44 O ATOM 994 CB LYS A 605 3.184 -41.470 13.287 1.00 63.41 C ATOM 995 CG LYS A 605 3.079 -40.770 14.643 1.00 22.34 C ATOM 996 CD LYS A 605 2.943 -41.789 15.777 1.00 53.21 C ATOM 997 CE LYS A 605 2.199 -41.185 16.970 1.00 50.01 C ATOM 998 NZ LYS A 605 2.640 -41.821 18.231 1.00 34.53 N ATOM 0 H LYS A 605 4.218 -38.948 12.881 1.00 74.21 H new ATOM 0 HA LYS A 605 2.933 -41.077 11.233 1.00 21.23 H new ATOM 0 HB2 LYS A 605 2.433 -42.258 13.221 1.00 63.41 H new ATOM 0 HB3 LYS A 605 4.158 -41.950 13.196 1.00 63.41 H new ATOM 0 HG2 LYS A 605 3.963 -40.153 14.807 1.00 22.34 H new ATOM 0 HG3 LYS A 605 2.219 -40.101 14.645 1.00 22.34 H new ATOM 0 HD2 LYS A 605 2.409 -42.669 15.418 1.00 53.21 H new ATOM 0 HD3 LYS A 605 3.932 -42.123 16.091 1.00 53.21 H new ATOM 0 HE2 LYS A 605 2.381 -40.111 17.014 1.00 50.01 H new ATOM 0 HE3 LYS A 605 1.125 -41.321 16.843 1.00 50.01 H new ATOM 0 HZ1 LYS A 605 2.126 -41.400 19.031 1.00 34.53 H new ATOM 0 HZ2 LYS A 605 2.444 -42.842 18.192 1.00 34.53 H new ATOM 0 HZ3 LYS A 605 3.661 -41.669 18.358 1.00 34.53 H new ATOM 1011 N PRO A 606 0.574 -40.348 11.828 1.00 4.33 N ATOM 1012 CA PRO A 606 -0.733 -39.714 11.861 1.00 44.12 C ATOM 1013 C PRO A 606 -1.263 -39.624 13.293 1.00 33.51 C ATOM 1014 O PRO A 606 -1.008 -40.508 14.110 1.00 61.12 O ATOM 1015 CB PRO A 606 -1.606 -40.567 10.956 1.00 72.22 C ATOM 1016 CG PRO A 606 -0.889 -41.901 10.821 1.00 51.42 C ATOM 1017 CD PRO A 606 0.531 -41.720 11.332 1.00 33.24 C ATOM 0 HA PRO A 606 -0.709 -38.682 11.512 1.00 44.12 H new ATOM 0 HB2 PRO A 606 -2.600 -40.699 11.384 1.00 72.22 H new ATOM 0 HB3 PRO A 606 -1.738 -40.095 9.983 1.00 72.22 H new ATOM 0 HG2 PRO A 606 -1.405 -42.672 11.393 1.00 51.42 H new ATOM 0 HG3 PRO A 606 -0.882 -42.227 9.781 1.00 51.42 H new ATOM 0 HD2 PRO A 606 0.761 -42.434 12.122 1.00 33.24 H new ATOM 0 HD3 PRO A 606 1.261 -41.877 10.538 1.00 33.24 H new ATOM 1025 N GLY A 607 -1.992 -38.549 13.554 1.00 73.30 N ATOM 1026 CA GLY A 607 -2.561 -38.333 14.873 1.00 33.13 C ATOM 1027 C GLY A 607 -4.086 -38.452 14.839 1.00 53.41 C ATOM 1028 O GLY A 607 -4.631 -39.547 14.969 1.00 45.01 O ATOM 0 H GLY A 607 -2.202 -37.818 12.874 1.00 73.30 H new ATOM 0 HA2 GLY A 607 -2.151 -39.061 15.573 1.00 33.13 H new ATOM 0 HA3 GLY A 607 -2.278 -37.346 15.238 1.00 33.13 H new ATOM 1032 N GLY A 608 -4.733 -37.309 14.663 1.00 1.41 N ATOM 1033 CA GLY A 608 -6.185 -37.270 14.610 1.00 65.41 C ATOM 1034 C GLY A 608 -6.675 -35.983 13.944 1.00 32.13 C ATOM 1035 O GLY A 608 -6.070 -34.925 14.109 1.00 30.04 O ATOM 0 H GLY A 608 -4.278 -36.402 14.555 1.00 1.41 H new ATOM 0 HA2 GLY A 608 -6.556 -38.133 14.057 1.00 65.41 H new ATOM 0 HA3 GLY A 608 -6.591 -37.339 15.619 1.00 65.41 H new ATOM 1039 N VAL A 609 -7.767 -36.116 13.206 1.00 52.32 N ATOM 1040 CA VAL A 609 -8.346 -34.976 12.514 1.00 30.25 C ATOM 1041 C VAL A 609 -8.579 -33.843 13.515 1.00 14.33 C ATOM 1042 O VAL A 609 -9.260 -34.030 14.523 1.00 45.20 O ATOM 1043 CB VAL A 609 -9.621 -35.400 11.783 1.00 35.45 C ATOM 1044 CG1 VAL A 609 -10.241 -34.220 11.032 1.00 31.25 C ATOM 1045 CG2 VAL A 609 -9.347 -36.570 10.836 1.00 33.23 C ATOM 0 H VAL A 609 -8.266 -36.995 13.072 1.00 52.32 H new ATOM 0 HA VAL A 609 -7.661 -34.602 11.753 1.00 30.25 H new ATOM 0 HB VAL A 609 -10.340 -35.736 12.531 1.00 35.45 H new ATOM 0 HG11 VAL A 609 -11.146 -34.549 10.521 1.00 31.25 H new ATOM 0 HG12 VAL A 609 -10.491 -33.429 11.739 1.00 31.25 H new ATOM 0 HG13 VAL A 609 -9.529 -33.840 10.300 1.00 31.25 H new ATOM 0 HG21 VAL A 609 -10.270 -36.852 10.329 1.00 33.23 H new ATOM 0 HG22 VAL A 609 -8.603 -36.273 10.097 1.00 33.23 H new ATOM 0 HG23 VAL A 609 -8.973 -37.420 11.407 1.00 33.23 H new ATOM 1055 N ILE A 610 -8.002 -32.692 13.203 1.00 51.05 N ATOM 1056 CA ILE A 610 -8.139 -31.528 14.062 1.00 63.21 C ATOM 1057 C ILE A 610 -9.314 -30.677 13.577 1.00 43.30 C ATOM 1058 O ILE A 610 -9.565 -30.586 12.376 1.00 13.24 O ATOM 1059 CB ILE A 610 -6.816 -30.763 14.142 1.00 52.03 C ATOM 1060 CG1 ILE A 610 -5.625 -31.709 13.977 1.00 3.33 C ATOM 1061 CG2 ILE A 610 -6.730 -29.951 15.436 1.00 64.42 C ATOM 1062 CD1 ILE A 610 -4.316 -31.013 14.358 1.00 32.44 C ATOM 0 H ILE A 610 -7.438 -32.540 12.367 1.00 51.05 H new ATOM 0 HA ILE A 610 -8.367 -31.833 15.084 1.00 63.21 H new ATOM 0 HB ILE A 610 -6.780 -30.054 13.315 1.00 52.03 H new ATOM 0 HG12 ILE A 610 -5.767 -32.591 14.601 1.00 3.33 H new ATOM 0 HG13 ILE A 610 -5.570 -32.054 12.945 1.00 3.33 H new ATOM 0 HG21 ILE A 610 -5.780 -29.417 15.468 1.00 64.42 H new ATOM 0 HG22 ILE A 610 -7.551 -29.234 15.471 1.00 64.42 H new ATOM 0 HG23 ILE A 610 -6.798 -30.622 16.292 1.00 64.42 H new ATOM 0 HD11 ILE A 610 -3.485 -31.707 14.232 1.00 32.44 H new ATOM 0 HD12 ILE A 610 -4.165 -30.145 13.716 1.00 32.44 H new ATOM 0 HD13 ILE A 610 -4.365 -30.690 15.398 1.00 32.44 H new ATOM 1074 N SER A 611 -10.002 -30.074 14.536 1.00 62.34 N ATOM 1075 CA SER A 611 -11.144 -29.233 14.221 1.00 32.24 C ATOM 1076 C SER A 611 -11.183 -28.030 15.166 1.00 55.25 C ATOM 1077 O SER A 611 -11.325 -28.191 16.377 1.00 54.23 O ATOM 1078 CB SER A 611 -12.451 -30.023 14.313 1.00 14.15 C ATOM 1079 OG SER A 611 -12.338 -31.142 15.188 1.00 34.13 O ATOM 0 H SER A 611 -9.790 -30.151 15.531 1.00 62.34 H new ATOM 0 HA SER A 611 -11.037 -28.879 13.196 1.00 32.24 H new ATOM 0 HB2 SER A 611 -13.247 -29.367 14.665 1.00 14.15 H new ATOM 0 HB3 SER A 611 -12.737 -30.367 13.319 1.00 14.15 H new ATOM 0 HG SER A 611 -11.831 -30.884 15.986 1.00 34.13 H new ATOM 1085 N CYS A 612 -11.055 -26.851 14.575 1.00 11.32 N ATOM 1086 CA CYS A 612 -11.074 -25.621 15.348 1.00 11.44 C ATOM 1087 C CYS A 612 -12.220 -25.706 16.359 1.00 25.10 C ATOM 1088 O CYS A 612 -13.381 -25.843 15.977 1.00 44.44 O ATOM 1089 CB CYS A 612 -11.197 -24.389 14.449 1.00 53.01 C ATOM 1090 SG CYS A 612 -10.932 -22.789 15.298 1.00 75.44 S ATOM 0 H CYS A 612 -10.938 -26.722 13.570 1.00 11.32 H new ATOM 0 HA CYS A 612 -10.129 -25.509 15.880 1.00 11.44 H new ATOM 0 HB2 CYS A 612 -10.476 -24.477 13.636 1.00 53.01 H new ATOM 0 HB3 CYS A 612 -12.189 -24.384 13.997 1.00 53.01 H new ATOM 0 HG CYS A 612 -11.603 -21.858 14.688 1.00 75.44 H new ATOM 1095 N ARG A 613 -11.853 -25.622 17.629 1.00 22.34 N ATOM 1096 CA ARG A 613 -12.835 -25.689 18.698 1.00 53.51 C ATOM 1097 C ARG A 613 -13.705 -24.429 18.698 1.00 23.54 C ATOM 1098 O ARG A 613 -14.862 -24.470 19.113 1.00 71.22 O ATOM 1099 CB ARG A 613 -12.157 -25.832 20.062 1.00 61.13 C ATOM 1100 CG ARG A 613 -13.149 -25.573 21.197 1.00 20.35 C ATOM 1101 CD ARG A 613 -12.467 -25.704 22.561 1.00 35.11 C ATOM 1102 NE ARG A 613 -13.400 -26.311 23.537 1.00 70.32 N ATOM 1103 CZ ARG A 613 -13.106 -26.516 24.838 1.00 13.45 C ATOM 1104 NH1 ARG A 613 -11.901 -26.162 25.333 1.00 63.05 N ATOM 1105 NH2 ARG A 613 -14.016 -27.066 25.621 1.00 24.30 N ATOM 0 H ARG A 613 -10.889 -25.508 17.942 1.00 22.34 H new ATOM 0 HA ARG A 613 -13.458 -26.566 18.522 1.00 53.51 H new ATOM 0 HB2 ARG A 613 -11.739 -26.834 20.161 1.00 61.13 H new ATOM 0 HB3 ARG A 613 -11.325 -25.131 20.134 1.00 61.13 H new ATOM 0 HG2 ARG A 613 -13.574 -24.575 21.093 1.00 20.35 H new ATOM 0 HG3 ARG A 613 -13.976 -26.280 21.130 1.00 20.35 H new ATOM 0 HD2 ARG A 613 -11.571 -26.318 22.471 1.00 35.11 H new ATOM 0 HD3 ARG A 613 -12.147 -24.723 22.913 1.00 35.11 H new ATOM 0 HE ARG A 613 -14.323 -26.592 23.205 1.00 70.32 H new ATOM 0 HH11 ARG A 613 -11.204 -25.736 24.722 1.00 63.05 H new ATOM 0 HH12 ARG A 613 -11.688 -26.321 26.318 1.00 63.05 H new ATOM 0 HH21 ARG A 613 -14.925 -27.329 25.240 1.00 24.30 H new ATOM 0 HH22 ARG A 613 -13.810 -27.228 26.607 1.00 24.30 H new ATOM 1118 N ASN A 614 -13.113 -23.341 18.229 1.00 14.43 N ATOM 1119 CA ASN A 614 -13.820 -22.072 18.170 1.00 5.04 C ATOM 1120 C ASN A 614 -14.993 -22.191 17.196 1.00 34.45 C ATOM 1121 O ASN A 614 -16.074 -21.663 17.453 1.00 30.05 O ATOM 1122 CB ASN A 614 -12.903 -20.954 17.671 1.00 45.13 C ATOM 1123 CG ASN A 614 -11.793 -20.661 18.683 1.00 72.00 C ATOM 1124 OD1 ASN A 614 -11.840 -21.072 19.831 1.00 71.33 O ATOM 1125 ND2 ASN A 614 -10.796 -19.929 18.195 1.00 25.15 N ATOM 0 H ASN A 614 -12.153 -23.311 17.886 1.00 14.43 H new ATOM 0 HA ASN A 614 -14.167 -21.833 19.175 1.00 5.04 H new ATOM 0 HB2 ASN A 614 -12.463 -21.239 16.716 1.00 45.13 H new ATOM 0 HB3 ASN A 614 -13.487 -20.051 17.495 1.00 45.13 H new ATOM 0 HD21 ASN A 614 -10.007 -19.679 18.792 1.00 25.15 H new ATOM 0 HD22 ASN A 614 -10.820 -19.618 17.224 1.00 25.15 H new ATOM 1132 N CYS A 615 -14.741 -22.889 16.099 1.00 54.14 N ATOM 1133 CA CYS A 615 -15.764 -23.084 15.085 1.00 61.41 C ATOM 1134 C CYS A 615 -15.980 -24.588 14.904 1.00 22.22 C ATOM 1135 O CYS A 615 -16.972 -25.138 15.381 1.00 64.14 O ATOM 1136 CB CYS A 615 -15.393 -22.399 13.768 1.00 15.33 C ATOM 1137 SG CYS A 615 -14.139 -21.075 13.919 1.00 64.32 S ATOM 0 H CYS A 615 -13.844 -23.327 15.890 1.00 54.14 H new ATOM 0 HA CYS A 615 -16.695 -22.620 15.410 1.00 61.41 H new ATOM 0 HB2 CYS A 615 -15.023 -23.153 13.074 1.00 15.33 H new ATOM 0 HB3 CYS A 615 -16.296 -21.976 13.327 1.00 15.33 H new ATOM 0 HG CYS A 615 -13.265 -21.406 14.822 1.00 64.32 H new ATOM 1142 N GLY A 616 -15.035 -25.211 14.215 1.00 51.21 N ATOM 1143 CA GLY A 616 -15.110 -26.640 13.965 1.00 24.34 C ATOM 1144 C GLY A 616 -14.442 -27.001 12.637 1.00 45.42 C ATOM 1145 O GLY A 616 -14.098 -28.159 12.405 1.00 45.51 O ATOM 0 H GLY A 616 -14.213 -24.752 13.822 1.00 51.21 H new ATOM 0 HA2 GLY A 616 -14.626 -27.181 14.778 1.00 24.34 H new ATOM 0 HA3 GLY A 616 -16.153 -26.956 13.949 1.00 24.34 H new ATOM 1149 N GLU A 617 -14.278 -25.987 11.799 1.00 30.13 N ATOM 1150 CA GLU A 617 -13.657 -26.182 10.500 1.00 33.51 C ATOM 1151 C GLU A 617 -12.437 -27.096 10.627 1.00 23.10 C ATOM 1152 O GLU A 617 -11.392 -26.677 11.123 1.00 41.13 O ATOM 1153 CB GLU A 617 -13.276 -24.843 9.868 1.00 41.43 C ATOM 1154 CG GLU A 617 -13.078 -24.986 8.357 1.00 14.32 C ATOM 1155 CD GLU A 617 -14.393 -24.759 7.608 1.00 12.34 C ATOM 1156 OE1 GLU A 617 -14.691 -23.623 7.208 1.00 23.43 O ATOM 1157 OE2 GLU A 617 -15.117 -25.814 7.446 1.00 53.11 O ATOM 0 H GLU A 617 -14.565 -25.028 11.995 1.00 30.13 H new ATOM 0 HA GLU A 617 -14.380 -26.664 9.842 1.00 33.51 H new ATOM 0 HB2 GLU A 617 -14.055 -24.108 10.068 1.00 41.43 H new ATOM 0 HB3 GLU A 617 -12.360 -24.469 10.325 1.00 41.43 H new ATOM 0 HG2 GLU A 617 -12.332 -24.269 8.015 1.00 14.32 H new ATOM 0 HG3 GLU A 617 -12.693 -25.980 8.130 1.00 14.32 H new ATOM 1165 N VAL A 618 -12.609 -28.328 10.171 1.00 53.15 N ATOM 1166 CA VAL A 618 -11.535 -29.304 10.227 1.00 63.42 C ATOM 1167 C VAL A 618 -10.300 -28.739 9.521 1.00 35.20 C ATOM 1168 O VAL A 618 -10.304 -28.561 8.304 1.00 11.10 O ATOM 1169 CB VAL A 618 -12.005 -30.635 9.635 1.00 10.31 C ATOM 1170 CG1 VAL A 618 -10.874 -31.664 9.633 1.00 25.44 C ATOM 1171 CG2 VAL A 618 -13.229 -31.166 10.384 1.00 2.22 C ATOM 0 H VAL A 618 -13.477 -28.673 9.761 1.00 53.15 H new ATOM 0 HA VAL A 618 -11.255 -29.504 11.261 1.00 63.42 H new ATOM 0 HB VAL A 618 -12.297 -30.457 8.600 1.00 10.31 H new ATOM 0 HG11 VAL A 618 -11.235 -32.600 9.207 1.00 25.44 H new ATOM 0 HG12 VAL A 618 -10.043 -31.290 9.035 1.00 25.44 H new ATOM 0 HG13 VAL A 618 -10.537 -31.836 10.655 1.00 25.44 H new ATOM 0 HG21 VAL A 618 -13.543 -32.112 9.944 1.00 2.22 H new ATOM 0 HG22 VAL A 618 -12.975 -31.320 11.433 1.00 2.22 H new ATOM 0 HG23 VAL A 618 -14.042 -30.444 10.310 1.00 2.22 H new ATOM 1181 N TRP A 619 -9.274 -28.473 10.315 1.00 30.24 N ATOM 1182 CA TRP A 619 -8.036 -27.932 9.782 1.00 45.10 C ATOM 1183 C TRP A 619 -7.352 -29.031 8.966 1.00 52.35 C ATOM 1184 O TRP A 619 -7.031 -28.831 7.795 1.00 4.53 O ATOM 1185 CB TRP A 619 -7.151 -27.381 10.902 1.00 64.40 C ATOM 1186 CG TRP A 619 -7.669 -26.083 11.524 1.00 72.22 C ATOM 1187 CD1 TRP A 619 -8.459 -25.158 10.963 1.00 51.44 C ATOM 1188 CD2 TRP A 619 -7.401 -25.601 12.858 1.00 62.55 C ATOM 1189 NE1 TRP A 619 -8.718 -24.119 11.833 1.00 13.43 N ATOM 1190 CE2 TRP A 619 -8.054 -24.397 13.022 1.00 33.32 C ATOM 1191 CE3 TRP A 619 -6.631 -26.165 13.891 1.00 53.23 C ATOM 1192 CZ2 TRP A 619 -8.005 -23.654 14.208 1.00 62.04 C ATOM 1193 CZ3 TRP A 619 -6.592 -25.410 15.069 1.00 42.51 C ATOM 1194 CH2 TRP A 619 -7.244 -24.196 15.251 1.00 40.45 C ATOM 0 H TRP A 619 -9.275 -28.622 11.324 1.00 30.24 H new ATOM 0 HA TRP A 619 -8.237 -27.085 9.126 1.00 45.10 H new ATOM 0 HB2 TRP A 619 -7.060 -28.135 11.684 1.00 64.40 H new ATOM 0 HB3 TRP A 619 -6.149 -27.208 10.508 1.00 64.40 H new ATOM 0 HD1 TRP A 619 -8.845 -25.218 9.956 1.00 51.44 H new ATOM 0 HE1 TRP A 619 -9.291 -23.298 11.639 1.00 13.43 H new ATOM 0 HE3 TRP A 619 -6.111 -27.106 13.784 1.00 53.23 H new ATOM 0 HZ2 TRP A 619 -8.526 -22.714 14.313 1.00 62.04 H new ATOM 0 HZ3 TRP A 619 -6.014 -25.798 15.895 1.00 42.51 H new ATOM 0 HH2 TRP A 619 -7.164 -23.673 16.193 1.00 40.45 H new ATOM 1205 N GLY A 620 -7.151 -30.168 9.615 1.00 3.32 N ATOM 1206 CA GLY A 620 -6.511 -31.299 8.964 1.00 14.51 C ATOM 1207 C GLY A 620 -6.409 -32.493 9.915 1.00 55.11 C ATOM 1208 O GLY A 620 -7.387 -33.209 10.125 1.00 14.22 O ATOM 0 H GLY A 620 -7.420 -30.331 10.585 1.00 3.32 H new ATOM 0 HA2 GLY A 620 -7.079 -31.583 8.078 1.00 14.51 H new ATOM 0 HA3 GLY A 620 -5.515 -31.013 8.626 1.00 14.51 H new ATOM 1212 N LEU A 621 -5.217 -32.671 10.464 1.00 30.12 N ATOM 1213 CA LEU A 621 -4.975 -33.766 11.388 1.00 64.43 C ATOM 1214 C LEU A 621 -3.721 -33.465 12.211 1.00 21.34 C ATOM 1215 O LEU A 621 -2.870 -32.683 11.790 1.00 30.21 O ATOM 1216 CB LEU A 621 -4.911 -35.097 10.636 1.00 73.34 C ATOM 1217 CG LEU A 621 -3.639 -35.923 10.839 1.00 13.11 C ATOM 1218 CD1 LEU A 621 -3.716 -37.245 10.074 1.00 63.33 C ATOM 1219 CD2 LEU A 621 -2.395 -35.115 10.464 1.00 13.22 C ATOM 0 H LEU A 621 -4.408 -32.075 10.287 1.00 30.12 H new ATOM 0 HA LEU A 621 -5.803 -33.862 12.090 1.00 64.43 H new ATOM 0 HB2 LEU A 621 -5.766 -35.703 10.937 1.00 73.34 H new ATOM 0 HB3 LEU A 621 -5.023 -34.895 9.571 1.00 73.34 H new ATOM 0 HG LEU A 621 -3.556 -36.168 11.898 1.00 13.11 H new ATOM 0 HD11 LEU A 621 -2.800 -37.813 10.235 1.00 63.33 H new ATOM 0 HD12 LEU A 621 -4.568 -37.823 10.431 1.00 63.33 H new ATOM 0 HD13 LEU A 621 -3.835 -37.043 9.010 1.00 63.33 H new ATOM 0 HD21 LEU A 621 -1.505 -35.725 10.617 1.00 13.22 H new ATOM 0 HD22 LEU A 621 -2.456 -34.819 9.417 1.00 13.22 H new ATOM 0 HD23 LEU A 621 -2.337 -34.225 11.090 1.00 13.22 H new ATOM 1231 N GLN A 622 -3.646 -34.102 13.371 1.00 54.11 N ATOM 1232 CA GLN A 622 -2.511 -33.912 14.257 1.00 1.04 C ATOM 1233 C GLN A 622 -1.377 -34.868 13.880 1.00 51.40 C ATOM 1234 O GLN A 622 -1.617 -36.041 13.599 1.00 11.20 O ATOM 1235 CB GLN A 622 -2.920 -34.097 15.720 1.00 71.31 C ATOM 1236 CG GLN A 622 -2.189 -33.103 16.624 1.00 24.22 C ATOM 1237 CD GLN A 622 -1.948 -33.699 18.013 1.00 71.34 C ATOM 1238 OE1 GLN A 622 -0.836 -34.026 18.392 1.00 64.42 O ATOM 1239 NE2 GLN A 622 -3.050 -33.822 18.747 1.00 11.42 N ATOM 0 H GLN A 622 -4.353 -34.750 13.717 1.00 54.11 H new ATOM 0 HA GLN A 622 -2.152 -32.889 14.141 1.00 1.04 H new ATOM 0 HB2 GLN A 622 -3.997 -33.961 15.820 1.00 71.31 H new ATOM 0 HB3 GLN A 622 -2.696 -35.115 16.038 1.00 71.31 H new ATOM 0 HG2 GLN A 622 -1.236 -32.828 16.172 1.00 24.22 H new ATOM 0 HG3 GLN A 622 -2.775 -32.188 16.714 1.00 24.22 H new ATOM 0 HE21 GLN A 622 -3.950 -33.528 18.368 1.00 11.42 H new ATOM 0 HE22 GLN A 622 -2.995 -34.210 19.689 1.00 11.42 H new ATOM 1248 N MET A 623 -0.166 -34.330 13.886 1.00 53.23 N ATOM 1249 CA MET A 623 1.005 -35.120 13.547 1.00 22.14 C ATOM 1250 C MET A 623 1.969 -35.207 14.733 1.00 73.42 C ATOM 1251 O MET A 623 1.991 -34.321 15.585 1.00 23.25 O ATOM 1252 CB MET A 623 1.721 -34.486 12.353 1.00 61.51 C ATOM 1253 CG MET A 623 1.144 -35.000 11.032 1.00 14.13 C ATOM 1254 SD MET A 623 1.857 -36.586 10.629 1.00 3.53 S ATOM 1255 CE MET A 623 0.689 -37.149 9.403 1.00 40.42 C ATOM 0 H MET A 623 0.029 -33.357 14.120 1.00 53.23 H new ATOM 0 HA MET A 623 0.679 -36.128 13.292 1.00 22.14 H new ATOM 0 HB2 MET A 623 1.623 -33.401 12.399 1.00 61.51 H new ATOM 0 HB3 MET A 623 2.786 -34.712 12.401 1.00 61.51 H new ATOM 0 HG2 MET A 623 0.060 -35.088 11.109 1.00 14.13 H new ATOM 0 HG3 MET A 623 1.350 -34.287 10.234 1.00 14.13 H new ATOM 0 HE1 MET A 623 1.068 -38.054 8.928 1.00 40.42 H new ATOM 0 HE2 MET A 623 -0.266 -37.363 9.882 1.00 40.42 H new ATOM 0 HE3 MET A 623 0.551 -36.374 8.649 1.00 40.42 H new ATOM 1265 N ILE A 624 2.741 -36.284 14.748 1.00 1.34 N ATOM 1266 CA ILE A 624 3.704 -36.498 15.815 1.00 63.20 C ATOM 1267 C ILE A 624 5.113 -36.554 15.221 1.00 40.04 C ATOM 1268 O ILE A 624 5.341 -37.228 14.217 1.00 0.12 O ATOM 1269 CB ILE A 624 3.332 -37.737 16.632 1.00 70.21 C ATOM 1270 CG1 ILE A 624 1.897 -37.639 17.154 1.00 41.02 C ATOM 1271 CG2 ILE A 624 4.338 -37.972 17.761 1.00 73.23 C ATOM 1272 CD1 ILE A 624 0.888 -37.785 16.013 1.00 14.33 C ATOM 0 H ILE A 624 2.719 -37.017 14.039 1.00 1.34 H new ATOM 0 HA ILE A 624 3.686 -35.664 16.517 1.00 63.20 H new ATOM 0 HB ILE A 624 3.377 -38.606 15.975 1.00 70.21 H new ATOM 0 HG12 ILE A 624 1.723 -38.415 17.899 1.00 41.02 H new ATOM 0 HG13 ILE A 624 1.752 -36.680 17.652 1.00 41.02 H new ATOM 0 HG21 ILE A 624 4.050 -38.859 18.326 1.00 73.23 H new ATOM 0 HG22 ILE A 624 5.332 -38.118 17.338 1.00 73.23 H new ATOM 0 HG23 ILE A 624 4.349 -37.107 18.424 1.00 73.23 H new ATOM 0 HD11 ILE A 624 -0.124 -37.712 16.411 1.00 14.33 H new ATOM 0 HD12 ILE A 624 1.049 -36.993 15.282 1.00 14.33 H new ATOM 0 HD13 ILE A 624 1.020 -38.755 15.533 1.00 14.33 H new ATOM 1284 N TYR A 625 6.021 -35.837 15.865 1.00 5.41 N ATOM 1285 CA TYR A 625 7.402 -35.796 15.413 1.00 53.12 C ATOM 1286 C TYR A 625 8.369 -35.854 16.597 1.00 12.40 C ATOM 1287 O TYR A 625 8.507 -34.882 17.338 1.00 11.32 O ATOM 1288 CB TYR A 625 7.571 -34.455 14.696 1.00 2.12 C ATOM 1289 CG TYR A 625 9.029 -34.028 14.512 1.00 53.31 C ATOM 1290 CD1 TYR A 625 9.753 -34.493 13.433 1.00 22.12 C ATOM 1291 CD2 TYR A 625 9.619 -33.177 15.424 1.00 21.02 C ATOM 1292 CE1 TYR A 625 11.125 -34.091 13.260 1.00 60.02 C ATOM 1293 CE2 TYR A 625 10.991 -32.775 15.251 1.00 51.12 C ATOM 1294 CZ TYR A 625 11.676 -33.252 14.177 1.00 2.21 C ATOM 1295 OH TYR A 625 12.972 -32.872 14.013 1.00 33.03 O ATOM 0 H TYR A 625 5.828 -35.279 16.697 1.00 5.41 H new ATOM 0 HA TYR A 625 7.620 -36.646 14.766 1.00 53.12 H new ATOM 0 HB2 TYR A 625 7.094 -34.515 13.718 1.00 2.12 H new ATOM 0 HB3 TYR A 625 7.046 -33.684 15.260 1.00 2.12 H new ATOM 0 HD1 TYR A 625 9.291 -35.158 12.719 1.00 22.12 H new ATOM 0 HD2 TYR A 625 9.052 -32.812 16.268 1.00 21.02 H new ATOM 0 HE1 TYR A 625 11.703 -34.448 12.421 1.00 60.02 H new ATOM 0 HE2 TYR A 625 11.465 -32.110 15.958 1.00 51.12 H new ATOM 0 HH TYR A 625 13.232 -32.271 14.742 1.00 33.03 H new ATOM 1305 N LYS A 626 9.013 -37.003 16.738 1.00 3.41 N ATOM 1306 CA LYS A 626 9.963 -37.200 17.820 1.00 45.23 C ATOM 1307 C LYS A 626 9.214 -37.221 19.153 1.00 2.45 C ATOM 1308 O LYS A 626 9.816 -37.035 20.210 1.00 34.34 O ATOM 1309 CB LYS A 626 11.075 -36.150 17.755 1.00 54.12 C ATOM 1310 CG LYS A 626 12.252 -36.649 16.916 1.00 65.44 C ATOM 1311 CD LYS A 626 11.949 -36.532 15.421 1.00 62.24 C ATOM 1312 CE LYS A 626 11.330 -37.824 14.884 1.00 73.20 C ATOM 1313 NZ LYS A 626 12.384 -38.737 14.388 1.00 34.42 N ATOM 0 H LYS A 626 8.896 -37.807 16.121 1.00 3.41 H new ATOM 0 HA LYS A 626 10.461 -38.164 17.719 1.00 45.23 H new ATOM 0 HB2 LYS A 626 10.684 -35.227 17.327 1.00 54.12 H new ATOM 0 HB3 LYS A 626 11.416 -35.914 18.763 1.00 54.12 H new ATOM 0 HG2 LYS A 626 13.145 -36.071 17.156 1.00 65.44 H new ATOM 0 HG3 LYS A 626 12.467 -37.688 17.167 1.00 65.44 H new ATOM 0 HD2 LYS A 626 11.267 -35.699 15.249 1.00 62.24 H new ATOM 0 HD3 LYS A 626 12.867 -36.311 14.877 1.00 62.24 H new ATOM 0 HE2 LYS A 626 10.757 -38.314 15.671 1.00 73.20 H new ATOM 0 HE3 LYS A 626 10.633 -37.593 14.079 1.00 73.20 H new ATOM 0 HZ1 LYS A 626 11.947 -39.609 14.027 1.00 34.42 H new ATOM 0 HZ2 LYS A 626 12.913 -38.273 13.623 1.00 34.42 H new ATOM 0 HZ3 LYS A 626 13.034 -38.972 15.165 1.00 34.42 H new ATOM 1326 N SER A 627 7.912 -37.448 19.061 1.00 42.22 N ATOM 1327 CA SER A 627 7.074 -37.495 20.247 1.00 25.31 C ATOM 1328 C SER A 627 6.626 -36.083 20.628 1.00 40.11 C ATOM 1329 O SER A 627 6.641 -35.718 21.803 1.00 71.54 O ATOM 1330 CB SER A 627 7.812 -38.151 21.416 1.00 31.22 C ATOM 1331 OG SER A 627 8.519 -37.197 22.204 1.00 33.23 O ATOM 0 H SER A 627 7.417 -37.601 18.183 1.00 42.22 H new ATOM 0 HA SER A 627 6.195 -38.099 20.021 1.00 25.31 H new ATOM 0 HB2 SER A 627 7.097 -38.681 22.044 1.00 31.22 H new ATOM 0 HB3 SER A 627 8.511 -38.894 21.032 1.00 31.22 H new ATOM 0 HG SER A 627 9.218 -36.777 21.660 1.00 33.23 H new ATOM 1337 N VAL A 628 6.238 -35.326 19.612 1.00 13.12 N ATOM 1338 CA VAL A 628 5.786 -33.962 19.826 1.00 53.54 C ATOM 1339 C VAL A 628 4.437 -33.761 19.132 1.00 33.42 C ATOM 1340 O VAL A 628 4.276 -34.115 17.965 1.00 30.52 O ATOM 1341 CB VAL A 628 6.855 -32.976 19.350 1.00 54.34 C ATOM 1342 CG1 VAL A 628 6.295 -31.553 19.277 1.00 24.51 C ATOM 1343 CG2 VAL A 628 8.092 -33.033 20.247 1.00 22.23 C ATOM 0 H VAL A 628 6.227 -35.631 18.639 1.00 13.12 H new ATOM 0 HA VAL A 628 5.637 -33.772 20.889 1.00 53.54 H new ATOM 0 HB VAL A 628 7.157 -33.269 18.345 1.00 54.34 H new ATOM 0 HG11 VAL A 628 7.075 -30.872 18.936 1.00 24.51 H new ATOM 0 HG12 VAL A 628 5.459 -31.526 18.578 1.00 24.51 H new ATOM 0 HG13 VAL A 628 5.952 -31.246 20.265 1.00 24.51 H new ATOM 0 HG21 VAL A 628 8.836 -32.323 19.886 1.00 22.23 H new ATOM 0 HG22 VAL A 628 7.812 -32.778 21.269 1.00 22.23 H new ATOM 0 HG23 VAL A 628 8.511 -34.039 20.226 1.00 22.23 H new ATOM 1353 N LYS A 629 3.501 -33.195 19.880 1.00 44.40 N ATOM 1354 CA LYS A 629 2.171 -32.943 19.352 1.00 63.12 C ATOM 1355 C LYS A 629 2.208 -31.700 18.460 1.00 31.23 C ATOM 1356 O LYS A 629 2.188 -30.575 18.957 1.00 42.02 O ATOM 1357 CB LYS A 629 1.151 -32.855 20.489 1.00 42.34 C ATOM 1358 CG LYS A 629 1.460 -33.878 21.583 1.00 32.51 C ATOM 1359 CD LYS A 629 1.677 -35.270 20.986 1.00 31.52 C ATOM 1360 CE LYS A 629 0.350 -35.891 20.546 1.00 73.23 C ATOM 1361 NZ LYS A 629 0.385 -37.362 20.710 1.00 45.42 N ATOM 0 H LYS A 629 3.638 -32.904 20.848 1.00 44.40 H new ATOM 0 HA LYS A 629 1.845 -33.774 18.727 1.00 63.12 H new ATOM 0 HB2 LYS A 629 1.159 -31.851 20.913 1.00 42.34 H new ATOM 0 HB3 LYS A 629 0.149 -33.028 20.097 1.00 42.34 H new ATOM 0 HG2 LYS A 629 2.350 -33.571 22.132 1.00 32.51 H new ATOM 0 HG3 LYS A 629 0.639 -33.909 22.299 1.00 32.51 H new ATOM 0 HD2 LYS A 629 2.352 -35.202 20.133 1.00 31.52 H new ATOM 0 HD3 LYS A 629 2.158 -35.914 21.722 1.00 31.52 H new ATOM 0 HE2 LYS A 629 -0.467 -35.473 21.135 1.00 73.23 H new ATOM 0 HE3 LYS A 629 0.152 -35.640 19.504 1.00 73.23 H new ATOM 0 HZ1 LYS A 629 -0.524 -37.767 20.407 1.00 45.42 H new ATOM 0 HZ2 LYS A 629 1.152 -37.758 20.129 1.00 45.42 H new ATOM 0 HZ3 LYS A 629 0.552 -37.596 21.710 1.00 45.42 H new ATOM 1374 N LEU A 630 2.260 -31.946 17.159 1.00 4.54 N ATOM 1375 CA LEU A 630 2.300 -30.860 16.194 1.00 31.21 C ATOM 1376 C LEU A 630 1.091 -30.968 15.262 1.00 23.02 C ATOM 1377 O LEU A 630 0.995 -31.905 14.471 1.00 14.20 O ATOM 1378 CB LEU A 630 3.643 -30.844 15.461 1.00 74.14 C ATOM 1379 CG LEU A 630 4.891 -30.843 16.346 1.00 75.42 C ATOM 1380 CD1 LEU A 630 6.148 -31.126 15.521 1.00 12.12 C ATOM 1381 CD2 LEU A 630 5.003 -29.537 17.133 1.00 3.45 C ATOM 0 H LEU A 630 2.275 -32.881 16.751 1.00 4.54 H new ATOM 0 HA LEU A 630 2.228 -29.897 16.700 1.00 31.21 H new ATOM 0 HB2 LEU A 630 3.687 -31.714 14.806 1.00 74.14 H new ATOM 0 HB3 LEU A 630 3.675 -29.962 14.822 1.00 74.14 H new ATOM 0 HG LEU A 630 4.796 -31.649 17.073 1.00 75.42 H new ATOM 0 HD11 LEU A 630 7.021 -31.120 16.174 1.00 12.12 H new ATOM 0 HD12 LEU A 630 6.058 -32.102 15.045 1.00 12.12 H new ATOM 0 HD13 LEU A 630 6.262 -30.358 14.756 1.00 12.12 H new ATOM 0 HD21 LEU A 630 5.898 -29.562 17.754 1.00 3.45 H new ATOM 0 HD22 LEU A 630 5.066 -28.698 16.439 1.00 3.45 H new ATOM 0 HD23 LEU A 630 4.125 -29.418 17.767 1.00 3.45 H new ATOM 1393 N PRO A 631 0.176 -29.970 15.390 1.00 21.20 N ATOM 1394 CA PRO A 631 -1.022 -29.944 14.569 1.00 72.02 C ATOM 1395 C PRO A 631 -0.697 -29.510 13.138 1.00 12.32 C ATOM 1396 O PRO A 631 0.089 -28.587 12.929 1.00 30.12 O ATOM 1397 CB PRO A 631 -1.966 -28.988 15.280 1.00 2.11 C ATOM 1398 CG PRO A 631 -1.096 -28.161 16.213 1.00 30.11 C ATOM 1399 CD PRO A 631 0.258 -28.845 16.316 1.00 14.43 C ATOM 0 HA PRO A 631 -1.479 -30.928 14.461 1.00 72.02 H new ATOM 0 HB2 PRO A 631 -2.488 -28.351 14.566 1.00 2.11 H new ATOM 0 HB3 PRO A 631 -2.728 -29.533 15.837 1.00 2.11 H new ATOM 0 HG2 PRO A 631 -0.983 -27.147 15.831 1.00 30.11 H new ATOM 0 HG3 PRO A 631 -1.559 -28.081 17.196 1.00 30.11 H new ATOM 0 HD2 PRO A 631 1.066 -28.166 16.044 1.00 14.43 H new ATOM 0 HD3 PRO A 631 0.455 -29.183 17.333 1.00 14.43 H new ATOM 1407 N VAL A 632 -1.319 -30.195 12.190 1.00 20.11 N ATOM 1408 CA VAL A 632 -1.106 -29.892 10.785 1.00 1.41 C ATOM 1409 C VAL A 632 -2.334 -29.165 10.233 1.00 61.02 C ATOM 1410 O VAL A 632 -3.295 -29.801 9.803 1.00 63.24 O ATOM 1411 CB VAL A 632 -0.774 -31.173 10.017 1.00 1.15 C ATOM 1412 CG1 VAL A 632 -0.504 -30.873 8.542 1.00 65.33 C ATOM 1413 CG2 VAL A 632 0.410 -31.903 10.655 1.00 41.41 C ATOM 0 H VAL A 632 -1.971 -30.959 12.367 1.00 20.11 H new ATOM 0 HA VAL A 632 -0.252 -29.226 10.663 1.00 1.41 H new ATOM 0 HB VAL A 632 -1.641 -31.831 10.071 1.00 1.15 H new ATOM 0 HG11 VAL A 632 -0.271 -31.800 8.019 1.00 65.33 H new ATOM 0 HG12 VAL A 632 -1.388 -30.417 8.096 1.00 65.33 H new ATOM 0 HG13 VAL A 632 0.339 -30.187 8.459 1.00 65.33 H new ATOM 0 HG21 VAL A 632 0.625 -32.810 10.090 1.00 41.41 H new ATOM 0 HG22 VAL A 632 1.285 -31.254 10.646 1.00 41.41 H new ATOM 0 HG23 VAL A 632 0.164 -32.166 11.684 1.00 41.41 H new ATOM 1423 N LEU A 633 -2.262 -27.842 10.263 1.00 74.41 N ATOM 1424 CA LEU A 633 -3.356 -27.022 9.771 1.00 73.44 C ATOM 1425 C LEU A 633 -3.042 -26.563 8.346 1.00 51.35 C ATOM 1426 O LEU A 633 -1.935 -26.771 7.852 1.00 3.13 O ATOM 1427 CB LEU A 633 -3.642 -25.873 10.739 1.00 42.42 C ATOM 1428 CG LEU A 633 -3.541 -26.209 12.228 1.00 5.00 C ATOM 1429 CD1 LEU A 633 -3.791 -27.698 12.472 1.00 62.41 C ATOM 1430 CD2 LEU A 633 -2.199 -25.752 12.803 1.00 3.54 C ATOM 0 H LEU A 633 -1.463 -27.318 10.620 1.00 74.41 H new ATOM 0 HA LEU A 633 -4.277 -27.603 9.723 1.00 73.44 H new ATOM 0 HB2 LEU A 633 -2.948 -25.061 10.522 1.00 42.42 H new ATOM 0 HB3 LEU A 633 -4.645 -25.497 10.539 1.00 42.42 H new ATOM 0 HG LEU A 633 -4.321 -25.661 12.756 1.00 5.00 H new ATOM 0 HD11 LEU A 633 -3.713 -27.910 13.538 1.00 62.41 H new ATOM 0 HD12 LEU A 633 -4.789 -27.962 12.121 1.00 62.41 H new ATOM 0 HD13 LEU A 633 -3.049 -28.285 11.930 1.00 62.41 H new ATOM 0 HD21 LEU A 633 -2.153 -26.003 13.863 1.00 3.54 H new ATOM 0 HD22 LEU A 633 -1.388 -26.254 12.276 1.00 3.54 H new ATOM 0 HD23 LEU A 633 -2.099 -24.674 12.681 1.00 3.54 H new ATOM 1442 N LYS A 634 -4.037 -25.946 7.724 1.00 24.11 N ATOM 1443 CA LYS A 634 -3.880 -25.455 6.365 1.00 32.24 C ATOM 1444 C LYS A 634 -3.875 -23.925 6.378 1.00 31.20 C ATOM 1445 O LYS A 634 -3.876 -23.310 7.443 1.00 41.31 O ATOM 1446 CB LYS A 634 -4.948 -26.059 5.451 1.00 32.13 C ATOM 1447 CG LYS A 634 -6.229 -26.364 6.231 1.00 23.32 C ATOM 1448 CD LYS A 634 -7.272 -27.033 5.333 1.00 44.50 C ATOM 1449 CE LYS A 634 -8.682 -26.547 5.675 1.00 45.32 C ATOM 1450 NZ LYS A 634 -9.677 -27.606 5.396 1.00 24.21 N ATOM 0 H LYS A 634 -4.954 -25.775 8.136 1.00 24.11 H new ATOM 0 HA LYS A 634 -2.923 -25.774 5.952 1.00 32.24 H new ATOM 0 HB2 LYS A 634 -5.169 -25.368 4.638 1.00 32.13 H new ATOM 0 HB3 LYS A 634 -4.568 -26.974 4.997 1.00 32.13 H new ATOM 0 HG2 LYS A 634 -5.999 -27.015 7.075 1.00 23.32 H new ATOM 0 HG3 LYS A 634 -6.637 -25.441 6.643 1.00 23.32 H new ATOM 0 HD2 LYS A 634 -7.052 -26.814 4.288 1.00 44.50 H new ATOM 0 HD3 LYS A 634 -7.218 -28.115 5.451 1.00 44.50 H new ATOM 0 HE2 LYS A 634 -8.730 -26.263 6.726 1.00 45.32 H new ATOM 0 HE3 LYS A 634 -8.917 -25.656 5.093 1.00 45.32 H new ATOM 0 HZ1 LYS A 634 -10.500 -27.191 4.914 1.00 24.21 H new ATOM 0 HZ2 LYS A 634 -9.249 -28.333 4.787 1.00 24.21 H new ATOM 0 HZ3 LYS A 634 -9.983 -28.040 6.291 1.00 24.21 H new ATOM 1463 N VAL A 635 -3.870 -23.355 5.182 1.00 61.51 N ATOM 1464 CA VAL A 635 -3.865 -21.909 5.042 1.00 63.22 C ATOM 1465 C VAL A 635 -5.269 -21.432 4.666 1.00 71.50 C ATOM 1466 O VAL A 635 -5.619 -20.276 4.898 1.00 20.43 O ATOM 1467 CB VAL A 635 -2.799 -21.485 4.030 1.00 64.34 C ATOM 1468 CG1 VAL A 635 -3.232 -21.824 2.602 1.00 35.11 C ATOM 1469 CG2 VAL A 635 -2.475 -19.996 4.166 1.00 62.25 C ATOM 0 H VAL A 635 -3.869 -23.869 4.301 1.00 61.51 H new ATOM 0 HA VAL A 635 -3.603 -21.435 5.988 1.00 63.22 H new ATOM 0 HB VAL A 635 -1.890 -22.047 4.246 1.00 64.34 H new ATOM 0 HG11 VAL A 635 -2.456 -21.512 1.903 1.00 35.11 H new ATOM 0 HG12 VAL A 635 -3.388 -22.899 2.515 1.00 35.11 H new ATOM 0 HG13 VAL A 635 -4.161 -21.303 2.370 1.00 35.11 H new ATOM 0 HG21 VAL A 635 -1.715 -19.721 3.435 1.00 62.25 H new ATOM 0 HG22 VAL A 635 -3.377 -19.410 3.989 1.00 62.25 H new ATOM 0 HG23 VAL A 635 -2.102 -19.795 5.170 1.00 62.25 H new ATOM 1479 N ARG A 636 -6.036 -22.347 4.091 1.00 21.54 N ATOM 1480 CA ARG A 636 -7.394 -22.035 3.681 1.00 34.01 C ATOM 1481 C ARG A 636 -8.274 -21.781 4.907 1.00 60.01 C ATOM 1482 O ARG A 636 -9.123 -20.891 4.893 1.00 61.05 O ATOM 1483 CB ARG A 636 -7.997 -23.175 2.857 1.00 3.21 C ATOM 1484 CG ARG A 636 -6.923 -23.873 2.020 1.00 21.34 C ATOM 1485 CD ARG A 636 -7.526 -24.484 0.754 1.00 60.31 C ATOM 1486 NE ARG A 636 -7.925 -25.886 1.009 1.00 73.40 N ATOM 1487 CZ ARG A 636 -8.311 -26.751 0.046 1.00 12.43 C ATOM 1488 NH1 ARG A 636 -8.353 -26.362 -1.246 1.00 72.50 N ATOM 1489 NH2 ARG A 636 -8.647 -27.981 0.388 1.00 50.44 N ATOM 0 H ARG A 636 -5.742 -23.305 3.899 1.00 21.54 H new ATOM 0 HA ARG A 636 -7.355 -21.137 3.064 1.00 34.01 H new ATOM 0 HB2 ARG A 636 -8.472 -23.897 3.521 1.00 3.21 H new ATOM 0 HB3 ARG A 636 -8.776 -22.783 2.203 1.00 3.21 H new ATOM 0 HG2 ARG A 636 -6.146 -23.158 1.749 1.00 21.34 H new ATOM 0 HG3 ARG A 636 -6.445 -24.653 2.613 1.00 21.34 H new ATOM 0 HD2 ARG A 636 -8.392 -23.903 0.437 1.00 60.31 H new ATOM 0 HD3 ARG A 636 -6.801 -24.446 -0.059 1.00 60.31 H new ATOM 0 HE ARG A 636 -7.907 -26.220 1.973 1.00 73.40 H new ATOM 0 HH11 ARG A 636 -8.092 -25.409 -1.501 1.00 72.50 H new ATOM 0 HH12 ARG A 636 -8.645 -27.021 -1.968 1.00 72.50 H new ATOM 0 HH21 ARG A 636 -8.613 -28.266 1.367 1.00 50.44 H new ATOM 0 HH22 ARG A 636 -8.941 -28.647 -0.327 1.00 50.44 H new ATOM 1502 N SER A 637 -8.041 -22.579 5.939 1.00 43.05 N ATOM 1503 CA SER A 637 -8.801 -22.452 7.170 1.00 13.21 C ATOM 1504 C SER A 637 -8.110 -21.464 8.112 1.00 12.02 C ATOM 1505 O SER A 637 -8.649 -21.123 9.164 1.00 31.00 O ATOM 1506 CB SER A 637 -8.971 -23.809 7.855 1.00 23.15 C ATOM 1507 OG SER A 637 -7.719 -24.378 8.231 1.00 50.44 O ATOM 0 H SER A 637 -7.336 -23.316 5.947 1.00 43.05 H new ATOM 0 HA SER A 637 -9.793 -22.074 6.922 1.00 13.21 H new ATOM 0 HB2 SER A 637 -9.597 -23.693 8.740 1.00 23.15 H new ATOM 0 HB3 SER A 637 -9.492 -24.491 7.184 1.00 23.15 H new ATOM 0 HG SER A 637 -7.635 -24.369 9.207 1.00 50.44 H new ATOM 1513 N MET A 638 -6.927 -21.032 7.701 1.00 72.12 N ATOM 1514 CA MET A 638 -6.157 -20.090 8.495 1.00 63.31 C ATOM 1515 C MET A 638 -6.047 -18.738 7.788 1.00 53.30 C ATOM 1516 O MET A 638 -5.569 -18.661 6.657 1.00 31.23 O ATOM 1517 CB MET A 638 -4.755 -20.654 8.738 1.00 34.14 C ATOM 1518 CG MET A 638 -4.810 -21.885 9.646 1.00 4.41 C ATOM 1519 SD MET A 638 -5.207 -21.394 11.316 1.00 62.41 S ATOM 1520 CE MET A 638 -6.785 -22.206 11.510 1.00 41.30 C ATOM 0 H MET A 638 -6.483 -21.317 6.828 1.00 72.12 H new ATOM 0 HA MET A 638 -6.669 -19.941 9.446 1.00 63.31 H new ATOM 0 HB2 MET A 638 -4.296 -20.920 7.786 1.00 34.14 H new ATOM 0 HB3 MET A 638 -4.125 -19.890 9.193 1.00 34.14 H new ATOM 0 HG2 MET A 638 -5.558 -22.586 9.277 1.00 4.41 H new ATOM 0 HG3 MET A 638 -3.851 -22.403 9.629 1.00 4.41 H new ATOM 0 HE1 MET A 638 -7.467 -21.551 12.051 1.00 41.30 H new ATOM 0 HE2 MET A 638 -7.201 -22.432 10.528 1.00 41.30 H new ATOM 0 HE3 MET A 638 -6.651 -23.132 12.069 1.00 41.30 H new ATOM 1530 N LEU A 639 -6.499 -17.704 8.483 1.00 25.35 N ATOM 1531 CA LEU A 639 -6.457 -16.359 7.937 1.00 54.35 C ATOM 1532 C LEU A 639 -5.229 -15.628 8.483 1.00 14.03 C ATOM 1533 O LEU A 639 -4.914 -15.737 9.667 1.00 1.12 O ATOM 1534 CB LEU A 639 -7.776 -15.631 8.205 1.00 52.24 C ATOM 1535 CG LEU A 639 -7.809 -14.145 7.839 1.00 23.42 C ATOM 1536 CD1 LEU A 639 -7.251 -13.914 6.434 1.00 61.25 C ATOM 1537 CD2 LEU A 639 -9.218 -13.572 7.998 1.00 75.51 C ATOM 0 H LEU A 639 -6.896 -17.771 9.420 1.00 25.35 H new ATOM 0 HA LEU A 639 -6.352 -16.392 6.853 1.00 54.35 H new ATOM 0 HB2 LEU A 639 -8.567 -16.138 7.653 1.00 52.24 H new ATOM 0 HB3 LEU A 639 -8.014 -15.729 9.264 1.00 52.24 H new ATOM 0 HG LEU A 639 -7.163 -13.608 8.534 1.00 23.42 H new ATOM 0 HD11 LEU A 639 -7.286 -12.850 6.199 1.00 61.25 H new ATOM 0 HD12 LEU A 639 -6.219 -14.261 6.391 1.00 61.25 H new ATOM 0 HD13 LEU A 639 -7.850 -14.465 5.709 1.00 61.25 H new ATOM 0 HD21 LEU A 639 -9.213 -12.515 7.732 1.00 75.51 H new ATOM 0 HD22 LEU A 639 -9.905 -14.108 7.343 1.00 75.51 H new ATOM 0 HD23 LEU A 639 -9.542 -13.684 9.033 1.00 75.51 H new ATOM 1549 N LEU A 640 -4.570 -14.899 7.595 1.00 62.32 N ATOM 1550 CA LEU A 640 -3.383 -14.151 7.974 1.00 54.35 C ATOM 1551 C LEU A 640 -3.760 -12.685 8.197 1.00 14.12 C ATOM 1552 O LEU A 640 -4.196 -12.004 7.270 1.00 3.31 O ATOM 1553 CB LEU A 640 -2.272 -14.349 6.941 1.00 73.24 C ATOM 1554 CG LEU A 640 -1.575 -15.711 6.959 1.00 74.35 C ATOM 1555 CD1 LEU A 640 -1.394 -16.215 8.392 1.00 61.45 C ATOM 1556 CD2 LEU A 640 -2.323 -16.721 6.086 1.00 73.30 C ATOM 0 H LEU A 640 -4.835 -14.810 6.614 1.00 62.32 H new ATOM 0 HA LEU A 640 -2.981 -14.525 8.916 1.00 54.35 H new ATOM 0 HB2 LEU A 640 -2.694 -14.192 5.948 1.00 73.24 H new ATOM 0 HB3 LEU A 640 -1.519 -13.576 7.093 1.00 73.24 H new ATOM 0 HG LEU A 640 -0.579 -15.591 6.532 1.00 74.35 H new ATOM 0 HD11 LEU A 640 -0.896 -17.185 8.377 1.00 61.45 H new ATOM 0 HD12 LEU A 640 -0.787 -15.505 8.954 1.00 61.45 H new ATOM 0 HD13 LEU A 640 -2.369 -16.315 8.868 1.00 61.45 H new ATOM 0 HD21 LEU A 640 -1.807 -17.681 6.116 1.00 73.30 H new ATOM 0 HD22 LEU A 640 -3.339 -16.844 6.461 1.00 73.30 H new ATOM 0 HD23 LEU A 640 -2.356 -16.359 5.058 1.00 73.30 H new ATOM 1568 N GLU A 641 -3.579 -12.242 9.433 1.00 73.51 N ATOM 1569 CA GLU A 641 -3.895 -10.870 9.790 1.00 10.12 C ATOM 1570 C GLU A 641 -2.678 -9.970 9.568 1.00 24.23 C ATOM 1571 O GLU A 641 -1.580 -10.280 10.029 1.00 30.20 O ATOM 1572 CB GLU A 641 -4.388 -10.779 11.236 1.00 63.03 C ATOM 1573 CG GLU A 641 -5.912 -10.655 11.289 1.00 42.21 C ATOM 1574 CD GLU A 641 -6.389 -10.371 12.715 1.00 74.54 C ATOM 1575 OE1 GLU A 641 -5.576 -10.020 13.582 1.00 34.24 O ATOM 1576 OE2 GLU A 641 -7.656 -10.527 12.906 1.00 4.24 O ATOM 0 H GLU A 641 -3.217 -12.810 10.199 1.00 73.51 H new ATOM 0 HA GLU A 641 -4.701 -10.524 9.144 1.00 10.12 H new ATOM 0 HB2 GLU A 641 -4.072 -11.664 11.788 1.00 63.03 H new ATOM 0 HB3 GLU A 641 -3.932 -9.918 11.726 1.00 63.03 H new ATOM 0 HG2 GLU A 641 -6.239 -9.854 10.626 1.00 42.21 H new ATOM 0 HG3 GLU A 641 -6.368 -11.576 10.925 1.00 42.21 H new ATOM 1584 N THR A 642 -2.913 -8.874 8.863 1.00 44.24 N ATOM 1585 CA THR A 642 -1.849 -7.927 8.574 1.00 22.00 C ATOM 1586 C THR A 642 -2.372 -6.492 8.668 1.00 61.35 C ATOM 1587 O THR A 642 -3.578 -6.261 8.593 1.00 23.30 O ATOM 1588 CB THR A 642 -1.267 -8.273 7.202 1.00 21.41 C ATOM 1589 OG1 THR A 642 -1.925 -7.379 6.310 1.00 54.23 O ATOM 1590 CG2 THR A 642 -1.692 -9.662 6.719 1.00 11.42 C ATOM 0 H THR A 642 -3.825 -8.620 8.483 1.00 44.24 H new ATOM 0 HA THR A 642 -1.048 -7.996 9.310 1.00 22.00 H new ATOM 0 HB THR A 642 -0.179 -8.221 7.246 1.00 21.41 H new ATOM 0 HG1 THR A 642 -2.747 -7.796 5.976 1.00 54.23 H new ATOM 0 HG21 THR A 642 -1.252 -9.858 5.741 1.00 11.42 H new ATOM 0 HG22 THR A 642 -1.349 -10.415 7.429 1.00 11.42 H new ATOM 0 HG23 THR A 642 -2.779 -9.704 6.643 1.00 11.42 H new ATOM 1598 N PRO A 643 -1.414 -5.541 8.834 1.00 72.23 N ATOM 1599 CA PRO A 643 -1.766 -4.135 8.938 1.00 21.32 C ATOM 1600 C PRO A 643 -2.147 -3.562 7.572 1.00 62.34 C ATOM 1601 O PRO A 643 -2.434 -2.372 7.452 1.00 75.42 O ATOM 1602 CB PRO A 643 -0.541 -3.467 9.542 1.00 34.31 C ATOM 1603 CG PRO A 643 0.611 -4.434 9.323 1.00 43.42 C ATOM 1604 CD PRO A 643 0.023 -5.778 8.926 1.00 5.03 C ATOM 0 HA PRO A 643 -2.644 -3.966 9.562 1.00 21.32 H new ATOM 0 HB2 PRO A 643 -0.343 -2.508 9.063 1.00 34.31 H new ATOM 0 HB3 PRO A 643 -0.688 -3.268 10.604 1.00 34.31 H new ATOM 0 HG2 PRO A 643 1.277 -4.064 8.544 1.00 43.42 H new ATOM 0 HG3 PRO A 643 1.206 -4.531 10.231 1.00 43.42 H new ATOM 0 HD2 PRO A 643 0.429 -6.123 7.975 1.00 5.03 H new ATOM 0 HD3 PRO A 643 0.251 -6.544 9.667 1.00 5.03 H new ATOM 1612 N GLN A 644 -2.137 -4.436 6.576 1.00 45.14 N ATOM 1613 CA GLN A 644 -2.478 -4.032 5.222 1.00 5.22 C ATOM 1614 C GLN A 644 -3.830 -4.622 4.817 1.00 42.31 C ATOM 1615 O GLN A 644 -4.343 -4.325 3.739 1.00 3.41 O ATOM 1616 CB GLN A 644 -1.383 -4.442 4.235 1.00 3.33 C ATOM 1617 CG GLN A 644 0.006 -4.115 4.790 1.00 75.23 C ATOM 1618 CD GLN A 644 1.048 -4.077 3.670 1.00 31.13 C ATOM 1619 OE1 GLN A 644 1.460 -3.027 3.206 1.00 1.33 O ATOM 1620 NE2 GLN A 644 1.450 -5.278 3.264 1.00 34.21 N ATOM 0 H GLN A 644 -1.898 -5.422 6.679 1.00 45.14 H new ATOM 0 HA GLN A 644 -2.555 -2.945 5.197 1.00 5.22 H new ATOM 0 HB2 GLN A 644 -1.454 -5.510 4.030 1.00 3.33 H new ATOM 0 HB3 GLN A 644 -1.531 -3.925 3.287 1.00 3.33 H new ATOM 0 HG2 GLN A 644 -0.020 -3.152 5.301 1.00 75.23 H new ATOM 0 HG3 GLN A 644 0.291 -4.862 5.531 1.00 75.23 H new ATOM 0 HE21 GLN A 644 1.064 -6.118 3.696 1.00 34.21 H new ATOM 0 HE22 GLN A 644 2.144 -5.359 2.521 1.00 34.21 H new ATOM 1629 N GLY A 645 -4.369 -5.447 5.702 1.00 2.13 N ATOM 1630 CA GLY A 645 -5.652 -6.081 5.450 1.00 24.13 C ATOM 1631 C GLY A 645 -5.523 -7.606 5.471 1.00 50.41 C ATOM 1632 O GLY A 645 -4.603 -8.163 4.874 1.00 1.33 O ATOM 0 H GLY A 645 -3.941 -5.691 6.595 1.00 2.13 H new ATOM 0 HA2 GLY A 645 -6.373 -5.763 6.203 1.00 24.13 H new ATOM 0 HA3 GLY A 645 -6.038 -5.758 4.483 1.00 24.13 H new ATOM 1636 N ARG A 646 -6.459 -8.237 6.164 1.00 30.11 N ATOM 1637 CA ARG A 646 -6.462 -9.686 6.270 1.00 30.34 C ATOM 1638 C ARG A 646 -6.238 -10.320 4.896 1.00 40.22 C ATOM 1639 O ARG A 646 -6.646 -9.763 3.878 1.00 52.02 O ATOM 1640 CB ARG A 646 -7.785 -10.193 6.849 1.00 64.44 C ATOM 1641 CG ARG A 646 -7.724 -10.266 8.376 1.00 45.33 C ATOM 1642 CD ARG A 646 -9.108 -10.538 8.968 1.00 40.25 C ATOM 1643 NE ARG A 646 -9.814 -9.260 9.211 1.00 32.34 N ATOM 1644 CZ ARG A 646 -9.579 -8.455 10.269 1.00 22.33 C ATOM 1645 NH1 ARG A 646 -8.652 -8.790 11.192 1.00 43.21 N ATOM 1646 NH2 ARG A 646 -10.269 -7.336 10.388 1.00 22.31 N ATOM 0 H ARG A 646 -7.221 -7.771 6.658 1.00 30.11 H new ATOM 0 HA ARG A 646 -5.652 -9.971 6.941 1.00 30.34 H new ATOM 0 HB2 ARG A 646 -8.596 -9.531 6.545 1.00 64.44 H new ATOM 0 HB3 ARG A 646 -8.009 -11.179 6.443 1.00 64.44 H new ATOM 0 HG2 ARG A 646 -7.034 -11.054 8.679 1.00 45.33 H new ATOM 0 HG3 ARG A 646 -7.332 -9.329 8.773 1.00 45.33 H new ATOM 0 HD2 ARG A 646 -9.688 -11.160 8.286 1.00 40.25 H new ATOM 0 HD3 ARG A 646 -9.011 -11.093 9.901 1.00 40.25 H new ATOM 0 HE ARG A 646 -10.522 -8.969 8.537 1.00 32.34 H new ATOM 0 HH11 ARG A 646 -8.123 -9.657 11.093 1.00 43.21 H new ATOM 0 HH12 ARG A 646 -8.480 -8.176 11.988 1.00 43.21 H new ATOM 0 HH21 ARG A 646 -10.968 -7.091 9.687 1.00 22.31 H new ATOM 0 HH22 ARG A 646 -10.104 -6.717 11.181 1.00 22.31 H new ATOM 1659 N ILE A 647 -5.590 -11.475 4.911 1.00 61.23 N ATOM 1660 CA ILE A 647 -5.307 -12.190 3.678 1.00 63.41 C ATOM 1661 C ILE A 647 -5.666 -13.667 3.856 1.00 42.00 C ATOM 1662 O ILE A 647 -5.134 -14.337 4.740 1.00 43.41 O ATOM 1663 CB ILE A 647 -3.858 -11.958 3.244 1.00 11.32 C ATOM 1664 CG1 ILE A 647 -3.611 -10.481 2.928 1.00 62.32 C ATOM 1665 CG2 ILE A 647 -3.485 -12.866 2.071 1.00 45.33 C ATOM 1666 CD1 ILE A 647 -2.165 -10.088 3.240 1.00 75.32 C ATOM 0 H ILE A 647 -5.253 -11.934 5.757 1.00 61.23 H new ATOM 0 HA ILE A 647 -5.924 -11.807 2.866 1.00 63.41 H new ATOM 0 HB ILE A 647 -3.205 -12.223 4.076 1.00 11.32 H new ATOM 0 HG12 ILE A 647 -3.825 -10.290 1.876 1.00 62.32 H new ATOM 0 HG13 ILE A 647 -4.294 -9.862 3.510 1.00 62.32 H new ATOM 0 HG21 ILE A 647 -2.450 -12.681 1.782 1.00 45.33 H new ATOM 0 HG22 ILE A 647 -3.598 -13.909 2.368 1.00 45.33 H new ATOM 0 HG23 ILE A 647 -4.141 -12.656 1.226 1.00 45.33 H new ATOM 0 HD11 ILE A 647 -2.016 -9.034 3.007 1.00 75.32 H new ATOM 0 HD12 ILE A 647 -1.962 -10.258 4.297 1.00 75.32 H new ATOM 0 HD13 ILE A 647 -1.486 -10.692 2.639 1.00 75.32 H new ATOM 1678 N GLN A 648 -6.566 -14.131 3.002 1.00 70.21 N ATOM 1679 CA GLN A 648 -7.002 -15.516 3.054 1.00 74.22 C ATOM 1680 C GLN A 648 -6.737 -16.207 1.715 1.00 62.03 C ATOM 1681 O GLN A 648 -7.405 -15.923 0.722 1.00 14.32 O ATOM 1682 CB GLN A 648 -8.481 -15.611 3.436 1.00 62.30 C ATOM 1683 CG GLN A 648 -8.760 -16.886 4.236 1.00 44.43 C ATOM 1684 CD GLN A 648 -8.071 -18.094 3.599 1.00 61.33 C ATOM 1685 OE1 GLN A 648 -6.864 -18.261 3.668 1.00 73.44 O ATOM 1686 NE2 GLN A 648 -8.902 -18.925 2.977 1.00 75.23 N ATOM 0 H GLN A 648 -7.005 -13.573 2.270 1.00 70.21 H new ATOM 0 HA GLN A 648 -6.427 -16.029 3.825 1.00 74.22 H new ATOM 0 HB2 GLN A 648 -8.765 -14.739 4.025 1.00 62.30 H new ATOM 0 HB3 GLN A 648 -9.094 -15.601 2.535 1.00 62.30 H new ATOM 0 HG2 GLN A 648 -8.409 -16.761 5.260 1.00 44.43 H new ATOM 0 HG3 GLN A 648 -9.835 -17.060 4.286 1.00 44.43 H new ATOM 0 HE21 GLN A 648 -9.902 -18.726 2.957 1.00 75.23 H new ATOM 0 HE22 GLN A 648 -8.539 -19.762 2.520 1.00 75.23 H new ATOM 1695 N ALA A 649 -5.759 -17.101 1.730 1.00 32.21 N ATOM 1696 CA ALA A 649 -5.397 -17.835 0.529 1.00 0.32 C ATOM 1697 C ALA A 649 -5.892 -19.277 0.649 1.00 32.42 C ATOM 1698 O ALA A 649 -6.581 -19.623 1.608 1.00 24.40 O ATOM 1699 CB ALA A 649 -3.884 -17.753 0.318 1.00 22.31 C ATOM 0 H ALA A 649 -5.206 -17.334 2.555 1.00 32.21 H new ATOM 0 HA ALA A 649 -5.873 -17.396 -0.348 1.00 0.32 H new ATOM 0 HB1 ALA A 649 -3.612 -18.303 -0.583 1.00 22.31 H new ATOM 0 HB2 ALA A 649 -3.588 -16.710 0.209 1.00 22.31 H new ATOM 0 HB3 ALA A 649 -3.373 -18.187 1.177 1.00 22.31 H new ATOM 1705 N LYS A 650 -5.522 -20.080 -0.338 1.00 34.23 N ATOM 1706 CA LYS A 650 -5.920 -21.478 -0.355 1.00 14.42 C ATOM 1707 C LYS A 650 -4.676 -22.359 -0.227 1.00 75.21 C ATOM 1708 O LYS A 650 -4.786 -23.570 -0.040 1.00 0.14 O ATOM 1709 CB LYS A 650 -6.763 -21.779 -1.595 1.00 73.45 C ATOM 1710 CG LYS A 650 -7.986 -20.862 -1.664 1.00 41.02 C ATOM 1711 CD LYS A 650 -9.089 -21.482 -2.525 1.00 1.25 C ATOM 1712 CE LYS A 650 -10.111 -20.426 -2.950 1.00 10.22 C ATOM 1713 NZ LYS A 650 -10.976 -20.948 -4.031 1.00 51.13 N ATOM 0 H LYS A 650 -4.951 -19.789 -1.132 1.00 34.23 H new ATOM 0 HA LYS A 650 -6.559 -21.703 0.499 1.00 14.42 H new ATOM 0 HB2 LYS A 650 -6.156 -21.650 -2.491 1.00 73.45 H new ATOM 0 HB3 LYS A 650 -7.085 -22.820 -1.576 1.00 73.45 H new ATOM 0 HG2 LYS A 650 -8.365 -20.679 -0.658 1.00 41.02 H new ATOM 0 HG3 LYS A 650 -7.697 -19.895 -2.077 1.00 41.02 H new ATOM 0 HD2 LYS A 650 -8.649 -21.944 -3.409 1.00 1.25 H new ATOM 0 HD3 LYS A 650 -9.589 -22.274 -1.967 1.00 1.25 H new ATOM 0 HE2 LYS A 650 -10.722 -20.138 -2.095 1.00 10.22 H new ATOM 0 HE3 LYS A 650 -9.595 -19.528 -3.290 1.00 10.22 H new ATOM 0 HZ1 LYS A 650 -11.664 -20.219 -4.308 1.00 51.13 H new ATOM 0 HZ2 LYS A 650 -10.391 -21.201 -4.852 1.00 51.13 H new ATOM 0 HZ3 LYS A 650 -11.482 -21.791 -3.694 1.00 51.13 H new ATOM 1726 N LYS A 651 -3.522 -21.718 -0.334 1.00 12.33 N ATOM 1727 CA LYS A 651 -2.259 -22.428 -0.232 1.00 62.54 C ATOM 1728 C LYS A 651 -1.248 -21.558 0.517 1.00 63.33 C ATOM 1729 O LYS A 651 -1.420 -20.344 0.614 1.00 64.24 O ATOM 1730 CB LYS A 651 -1.782 -22.873 -1.617 1.00 4.25 C ATOM 1731 CG LYS A 651 -2.344 -24.250 -1.975 1.00 13.24 C ATOM 1732 CD LYS A 651 -1.651 -25.351 -1.171 1.00 23.44 C ATOM 1733 CE LYS A 651 -0.323 -25.750 -1.818 1.00 51.24 C ATOM 1734 NZ LYS A 651 0.780 -24.911 -1.298 1.00 32.33 N ATOM 0 H LYS A 651 -3.435 -20.714 -0.490 1.00 12.33 H new ATOM 0 HA LYS A 651 -2.382 -23.343 0.347 1.00 62.54 H new ATOM 0 HB2 LYS A 651 -2.094 -22.144 -2.365 1.00 4.25 H new ATOM 0 HB3 LYS A 651 -0.693 -22.904 -1.637 1.00 4.25 H new ATOM 0 HG2 LYS A 651 -3.416 -24.271 -1.779 1.00 13.24 H new ATOM 0 HG3 LYS A 651 -2.211 -24.435 -3.041 1.00 13.24 H new ATOM 0 HD2 LYS A 651 -1.474 -25.006 -0.152 1.00 23.44 H new ATOM 0 HD3 LYS A 651 -2.303 -26.222 -1.104 1.00 23.44 H new ATOM 0 HE2 LYS A 651 -0.115 -26.801 -1.616 1.00 51.24 H new ATOM 0 HE3 LYS A 651 -0.392 -25.641 -2.900 1.00 51.24 H new ATOM 0 HZ1 LYS A 651 1.008 -24.169 -1.990 1.00 32.33 H new ATOM 0 HZ2 LYS A 651 0.489 -24.471 -0.402 1.00 32.33 H new ATOM 0 HZ3 LYS A 651 1.620 -25.503 -1.136 1.00 32.33 H new ATOM 1747 N TRP A 652 -0.215 -22.213 1.027 1.00 34.15 N ATOM 1748 CA TRP A 652 0.823 -21.514 1.765 1.00 25.30 C ATOM 1749 C TRP A 652 1.771 -20.871 0.751 1.00 5.52 C ATOM 1750 O TRP A 652 2.683 -20.135 1.128 1.00 34.10 O ATOM 1751 CB TRP A 652 1.537 -22.458 2.735 1.00 71.43 C ATOM 1752 CG TRP A 652 0.595 -23.211 3.676 1.00 30.44 C ATOM 1753 CD1 TRP A 652 -0.286 -24.172 3.367 1.00 32.41 C ATOM 1754 CD2 TRP A 652 0.476 -23.025 5.103 1.00 74.54 C ATOM 1755 NE1 TRP A 652 -0.962 -24.618 4.485 1.00 53.41 N ATOM 1756 CE2 TRP A 652 -0.484 -23.898 5.574 1.00 51.02 C ATOM 1757 CE3 TRP A 652 1.156 -22.149 5.966 1.00 21.00 C ATOM 1758 CZ2 TRP A 652 -0.850 -23.979 6.923 1.00 74.24 C ATOM 1759 CZ3 TRP A 652 0.778 -22.243 7.311 1.00 45.50 C ATOM 1760 CH2 TRP A 652 -0.186 -23.115 7.801 1.00 23.42 C ATOM 0 H TRP A 652 -0.075 -23.220 0.944 1.00 34.15 H new ATOM 0 HA TRP A 652 0.392 -20.729 2.387 1.00 25.30 H new ATOM 0 HB2 TRP A 652 2.116 -23.182 2.162 1.00 71.43 H new ATOM 0 HB3 TRP A 652 2.246 -21.883 3.331 1.00 71.43 H new ATOM 0 HD1 TRP A 652 -0.447 -24.550 2.368 1.00 32.41 H new ATOM 0 HE1 TRP A 652 -1.680 -25.342 4.508 1.00 53.41 H new ATOM 0 HE3 TRP A 652 1.910 -21.458 5.619 1.00 21.00 H new ATOM 0 HZ2 TRP A 652 -1.604 -24.671 7.267 1.00 74.24 H new ATOM 0 HZ3 TRP A 652 1.271 -21.591 8.017 1.00 45.50 H new ATOM 0 HH2 TRP A 652 -0.422 -23.126 8.855 1.00 23.42 H new ATOM 1771 N SER A 653 1.524 -21.170 -0.515 1.00 63.54 N ATOM 1772 CA SER A 653 2.344 -20.630 -1.586 1.00 65.22 C ATOM 1773 C SER A 653 2.127 -19.120 -1.701 1.00 72.11 C ATOM 1774 O SER A 653 2.897 -18.427 -2.364 1.00 1.23 O ATOM 1775 CB SER A 653 2.032 -21.314 -2.918 1.00 75.34 C ATOM 1776 OG SER A 653 2.361 -20.489 -4.033 1.00 20.34 O ATOM 0 H SER A 653 0.767 -21.780 -0.824 1.00 63.54 H new ATOM 0 HA SER A 653 3.390 -20.823 -1.346 1.00 65.22 H new ATOM 0 HB2 SER A 653 2.587 -22.250 -2.983 1.00 75.34 H new ATOM 0 HB3 SER A 653 0.973 -21.568 -2.955 1.00 75.34 H new ATOM 0 HG SER A 653 2.148 -20.962 -4.864 1.00 20.34 H new ATOM 1782 N ARG A 654 1.074 -18.655 -1.045 1.00 52.23 N ATOM 1783 CA ARG A 654 0.745 -17.240 -1.065 1.00 50.44 C ATOM 1784 C ARG A 654 1.013 -16.613 0.304 1.00 5.32 C ATOM 1785 O ARG A 654 1.093 -15.391 0.427 1.00 65.41 O ATOM 1786 CB ARG A 654 -0.722 -17.020 -1.440 1.00 71.32 C ATOM 1787 CG ARG A 654 -1.225 -18.133 -2.362 1.00 63.21 C ATOM 1788 CD ARG A 654 -0.419 -18.174 -3.662 1.00 54.55 C ATOM 1789 NE ARG A 654 -1.206 -18.840 -4.724 1.00 63.32 N ATOM 1790 CZ ARG A 654 -0.671 -19.352 -5.853 1.00 74.34 C ATOM 1791 NH1 ARG A 654 0.658 -19.278 -6.077 1.00 52.14 N ATOM 1792 NH2 ARG A 654 -1.468 -19.927 -6.735 1.00 53.42 N ATOM 0 H ARG A 654 0.438 -19.233 -0.496 1.00 52.23 H new ATOM 0 HA ARG A 654 1.376 -16.764 -1.816 1.00 50.44 H new ATOM 0 HB2 ARG A 654 -1.331 -16.988 -0.537 1.00 71.32 H new ATOM 0 HB3 ARG A 654 -0.834 -16.055 -1.934 1.00 71.32 H new ATOM 0 HG2 ARG A 654 -1.150 -19.094 -1.853 1.00 63.21 H new ATOM 0 HG3 ARG A 654 -2.279 -17.974 -2.588 1.00 63.21 H new ATOM 0 HD2 ARG A 654 -0.160 -17.161 -3.971 1.00 54.55 H new ATOM 0 HD3 ARG A 654 0.517 -18.708 -3.502 1.00 54.55 H new ATOM 0 HE ARG A 654 -2.215 -18.917 -4.595 1.00 63.32 H new ATOM 0 HH11 ARG A 654 1.267 -18.833 -5.391 1.00 52.14 H new ATOM 0 HH12 ARG A 654 1.053 -19.668 -6.933 1.00 52.14 H new ATOM 0 HH21 ARG A 654 -2.471 -19.979 -6.558 1.00 53.42 H new ATOM 0 HH22 ARG A 654 -1.080 -20.319 -7.593 1.00 53.42 H new ATOM 1805 N VAL A 655 1.145 -17.477 1.300 1.00 62.24 N ATOM 1806 CA VAL A 655 1.403 -17.023 2.656 1.00 61.53 C ATOM 1807 C VAL A 655 2.399 -15.863 2.620 1.00 51.53 C ATOM 1808 O VAL A 655 3.473 -15.979 2.032 1.00 70.22 O ATOM 1809 CB VAL A 655 1.880 -18.194 3.517 1.00 25.23 C ATOM 1810 CG1 VAL A 655 2.765 -17.705 4.665 1.00 5.24 C ATOM 1811 CG2 VAL A 655 0.695 -19.005 4.046 1.00 65.14 C ATOM 0 H VAL A 655 1.078 -18.489 1.195 1.00 62.24 H new ATOM 0 HA VAL A 655 0.487 -16.651 3.115 1.00 61.53 H new ATOM 0 HB VAL A 655 2.480 -18.850 2.887 1.00 25.23 H new ATOM 0 HG11 VAL A 655 3.091 -18.557 5.262 1.00 5.24 H new ATOM 0 HG12 VAL A 655 3.637 -17.192 4.259 1.00 5.24 H new ATOM 0 HG13 VAL A 655 2.199 -17.017 5.293 1.00 5.24 H new ATOM 0 HG21 VAL A 655 1.062 -19.831 4.655 1.00 65.14 H new ATOM 0 HG22 VAL A 655 0.057 -18.363 4.653 1.00 65.14 H new ATOM 0 HG23 VAL A 655 0.121 -19.399 3.208 1.00 65.14 H new ATOM 1821 N PRO A 656 1.997 -14.740 3.273 1.00 55.40 N ATOM 1822 CA PRO A 656 2.841 -13.558 3.321 1.00 23.53 C ATOM 1823 C PRO A 656 4.001 -13.754 4.300 1.00 44.34 C ATOM 1824 O PRO A 656 5.156 -13.501 3.958 1.00 54.32 O ATOM 1825 CB PRO A 656 1.911 -12.425 3.722 1.00 72.33 C ATOM 1826 CG PRO A 656 0.687 -13.087 4.333 1.00 74.52 C ATOM 1827 CD PRO A 656 0.731 -14.565 3.980 1.00 23.34 C ATOM 0 HA PRO A 656 3.319 -13.343 2.365 1.00 23.53 H new ATOM 0 HB2 PRO A 656 2.393 -11.759 4.438 1.00 72.33 H new ATOM 0 HB3 PRO A 656 1.637 -11.820 2.858 1.00 72.33 H new ATOM 0 HG2 PRO A 656 0.681 -12.953 5.415 1.00 74.52 H new ATOM 0 HG3 PRO A 656 -0.225 -12.630 3.950 1.00 74.52 H new ATOM 0 HD2 PRO A 656 0.687 -15.187 4.874 1.00 23.34 H new ATOM 0 HD3 PRO A 656 -0.115 -14.848 3.353 1.00 23.34 H new ATOM 1835 N PHE A 657 3.655 -14.202 5.497 1.00 34.01 N ATOM 1836 CA PHE A 657 4.653 -14.434 6.527 1.00 34.33 C ATOM 1837 C PHE A 657 5.564 -15.605 6.154 1.00 70.22 C ATOM 1838 O PHE A 657 5.323 -16.292 5.162 1.00 3.02 O ATOM 1839 CB PHE A 657 3.897 -14.781 7.812 1.00 43.12 C ATOM 1840 CG PHE A 657 3.221 -16.153 7.785 1.00 54.13 C ATOM 1841 CD1 PHE A 657 1.976 -16.287 7.254 1.00 14.31 C ATOM 1842 CD2 PHE A 657 3.864 -17.239 8.291 1.00 2.44 C ATOM 1843 CE1 PHE A 657 1.348 -17.560 7.229 1.00 74.11 C ATOM 1844 CE2 PHE A 657 3.236 -18.512 8.266 1.00 3.12 C ATOM 1845 CZ PHE A 657 1.991 -18.646 7.736 1.00 43.15 C ATOM 0 H PHE A 657 2.697 -14.411 5.777 1.00 34.01 H new ATOM 0 HA PHE A 657 5.276 -13.548 6.648 1.00 34.33 H new ATOM 0 HB2 PHE A 657 4.592 -14.746 8.651 1.00 43.12 H new ATOM 0 HB3 PHE A 657 3.140 -14.018 7.993 1.00 43.12 H new ATOM 0 HD1 PHE A 657 1.465 -15.425 6.851 1.00 14.31 H new ATOM 0 HD2 PHE A 657 4.853 -17.133 8.712 1.00 2.44 H new ATOM 0 HE1 PHE A 657 0.359 -17.666 6.807 1.00 74.11 H new ATOM 0 HE2 PHE A 657 3.747 -19.374 8.668 1.00 3.12 H new ATOM 0 HZ PHE A 657 1.513 -19.614 7.718 1.00 43.15 H new ATOM 1855 N SER A 658 6.591 -15.797 6.968 1.00 4.11 N ATOM 1856 CA SER A 658 7.540 -16.873 6.736 1.00 51.23 C ATOM 1857 C SER A 658 7.578 -17.807 7.946 1.00 30.45 C ATOM 1858 O SER A 658 7.350 -17.376 9.076 1.00 74.25 O ATOM 1859 CB SER A 658 8.938 -16.322 6.446 1.00 14.13 C ATOM 1860 OG SER A 658 8.888 -15.037 5.832 1.00 63.13 O ATOM 0 H SER A 658 6.787 -15.225 7.790 1.00 4.11 H new ATOM 0 HA SER A 658 7.212 -17.435 5.862 1.00 51.23 H new ATOM 0 HB2 SER A 658 9.503 -16.258 7.376 1.00 14.13 H new ATOM 0 HB3 SER A 658 9.473 -17.014 5.796 1.00 14.13 H new ATOM 0 HG SER A 658 9.800 -14.719 5.664 1.00 63.13 H new ATOM 1866 N VAL A 659 7.868 -19.070 7.670 1.00 23.20 N ATOM 1867 CA VAL A 659 7.939 -20.070 8.722 1.00 2.55 C ATOM 1868 C VAL A 659 8.942 -21.154 8.323 1.00 35.31 C ATOM 1869 O VAL A 659 8.658 -21.977 7.453 1.00 1.53 O ATOM 1870 CB VAL A 659 6.543 -20.623 9.013 1.00 31.51 C ATOM 1871 CG1 VAL A 659 5.664 -20.579 7.762 1.00 50.23 C ATOM 1872 CG2 VAL A 659 6.623 -22.044 9.577 1.00 51.42 C ATOM 0 H VAL A 659 8.057 -19.424 6.732 1.00 23.20 H new ATOM 0 HA VAL A 659 8.296 -19.624 9.650 1.00 2.55 H new ATOM 0 HB VAL A 659 6.082 -19.987 9.769 1.00 31.51 H new ATOM 0 HG11 VAL A 659 4.677 -20.978 7.997 1.00 50.23 H new ATOM 0 HG12 VAL A 659 5.567 -19.548 7.421 1.00 50.23 H new ATOM 0 HG13 VAL A 659 6.120 -21.180 6.975 1.00 50.23 H new ATOM 0 HG21 VAL A 659 5.617 -22.414 9.775 1.00 51.42 H new ATOM 0 HG22 VAL A 659 7.113 -22.696 8.854 1.00 51.42 H new ATOM 0 HG23 VAL A 659 7.196 -22.036 10.504 1.00 51.42 H new ATOM 1882 N PRO A 660 10.123 -21.120 8.995 1.00 24.41 N ATOM 1883 CA PRO A 660 11.169 -22.091 8.719 1.00 3.53 C ATOM 1884 C PRO A 660 10.826 -23.454 9.323 1.00 54.13 C ATOM 1885 O PRO A 660 9.797 -23.604 9.980 1.00 21.23 O ATOM 1886 CB PRO A 660 12.434 -21.483 9.305 1.00 35.31 C ATOM 1887 CG PRO A 660 11.969 -20.422 10.289 1.00 31.24 C ATOM 1888 CD PRO A 660 10.494 -20.161 10.032 1.00 71.25 C ATOM 0 HA PRO A 660 11.292 -22.285 7.654 1.00 3.53 H new ATOM 0 HB2 PRO A 660 13.037 -22.241 9.804 1.00 35.31 H new ATOM 0 HB3 PRO A 660 13.055 -21.046 8.524 1.00 35.31 H new ATOM 0 HG2 PRO A 660 12.124 -20.758 11.314 1.00 31.24 H new ATOM 0 HG3 PRO A 660 12.546 -19.506 10.163 1.00 31.24 H new ATOM 0 HD2 PRO A 660 9.903 -20.307 10.936 1.00 71.25 H new ATOM 0 HD3 PRO A 660 10.325 -19.136 9.702 1.00 71.25 H new ATOM 1896 N ASP A 661 11.706 -24.413 9.077 1.00 4.24 N ATOM 1897 CA ASP A 661 11.509 -25.759 9.588 1.00 3.44 C ATOM 1898 C ASP A 661 11.409 -25.710 11.114 1.00 22.54 C ATOM 1899 O ASP A 661 11.831 -24.738 11.737 1.00 3.54 O ATOM 1900 CB ASP A 661 12.685 -26.665 9.220 1.00 23.32 C ATOM 1901 CG ASP A 661 13.095 -26.626 7.747 1.00 64.13 C ATOM 1902 OD1 ASP A 661 12.321 -27.010 6.858 1.00 54.42 O ATOM 1903 OD2 ASP A 661 14.282 -26.172 7.523 1.00 21.50 O ATOM 0 H ASP A 661 12.558 -24.285 8.530 1.00 4.24 H new ATOM 0 HA ASP A 661 10.595 -26.157 9.147 1.00 3.44 H new ATOM 0 HB2 ASP A 661 13.545 -26.384 9.828 1.00 23.32 H new ATOM 0 HB3 ASP A 661 12.430 -27.691 9.483 1.00 23.32 H new ATOM 1909 N PHE A 662 10.848 -26.773 11.672 1.00 31.05 N ATOM 1910 CA PHE A 662 10.687 -26.864 13.114 1.00 70.23 C ATOM 1911 C PHE A 662 12.004 -27.252 13.789 1.00 31.41 C ATOM 1912 O PHE A 662 12.575 -28.299 13.488 1.00 61.41 O ATOM 1913 CB PHE A 662 9.650 -27.957 13.380 1.00 53.14 C ATOM 1914 CG PHE A 662 9.530 -28.356 14.852 1.00 61.32 C ATOM 1915 CD1 PHE A 662 10.342 -29.321 15.363 1.00 53.42 C ATOM 1916 CD2 PHE A 662 8.612 -27.747 15.649 1.00 21.22 C ATOM 1917 CE1 PHE A 662 10.231 -29.691 16.729 1.00 34.30 C ATOM 1918 CE2 PHE A 662 8.501 -28.118 17.015 1.00 1.05 C ATOM 1919 CZ PHE A 662 9.313 -29.082 17.527 1.00 73.35 C ATOM 0 H PHE A 662 10.499 -27.578 11.152 1.00 31.05 H new ATOM 0 HA PHE A 662 10.374 -25.900 13.515 1.00 70.23 H new ATOM 0 HB2 PHE A 662 8.677 -27.614 13.027 1.00 53.14 H new ATOM 0 HB3 PHE A 662 9.909 -28.839 12.795 1.00 53.14 H new ATOM 0 HD1 PHE A 662 11.071 -29.805 14.730 1.00 53.42 H new ATOM 0 HD2 PHE A 662 7.967 -26.981 15.243 1.00 21.22 H new ATOM 0 HE1 PHE A 662 10.876 -30.456 17.135 1.00 34.30 H new ATOM 0 HE2 PHE A 662 7.772 -27.635 17.648 1.00 1.05 H new ATOM 0 HZ PHE A 662 9.229 -29.364 18.566 1.00 73.35 H new