USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=20 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 588 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 622 GLN : amide:sc= -2.74 K(o=-2.7,f=-11!) USER MOD Set 2.1: A 556 CYS SG : rot 160:sc= -0.834 USER MOD Set 2.2: A 559 CYS SG : rot -4:sc= -20! USER MOD Set 2.3: A 612 CYS SG : rot -129:sc= -1.48 USER MOD Set 2.4: A 615 CYS SG : rot 28:sc= -23.5! USER MOD Set 3.1: A 579 ASN : amide:sc= -6.23! C(o=-9.1!,f=-6!) USER MOD Set 3.2: A 581 ASN : amide:sc= -2.85! C(o=-9.1!,f=-7.6!) USER MOD Set 4.1: A 571 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 577 HIS : no HD1:sc= -11.9! C(o=-12!,f=-13!) USER MOD Set 5.1: A 553 GLN : amide:sc= -3.41! C(o=-6.4!,f=-6.9!) USER MOD Set 5.2: A 565 HIS : no HD1:sc= -2.95! K(o=-6.4!,f=-3.5) USER MOD Single : A 546 GLN : amide:sc= -0.317 X(o=-0.32,f=0) USER MOD Single : A 551 HIS : no HD1:sc= -0.399 K(o=-0.4,f=-1.2) USER MOD Single : A 558 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 560 MET CE :methyl 144:sc= -0.402 (180deg=-1.32) USER MOD Single : A 567 SER OG : rot 180:sc= 0 USER MOD Single : A 575 THR OG1 : rot 166:sc= 0.508 USER MOD Single : A 576 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.3) USER MOD Single : A 583 ASN : amide:sc= -0.0793 K(o=-0.079,f=-0.59) USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 ASN : amide:sc= -0.0462 X(o=-0.046,f=0) USER MOD Single : A 587 TYR OH : rot -72:sc= 0.726 USER MOD Single : A 589 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.028) 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 128:sc= 0.723 USER MOD Single : A 614 ASN : amide:sc= -3.33! K(o=-3.3!,f=-2.4) USER MOD Single : A 623 MET CE :methyl -124:sc= -1.47 (180deg=-7.19!) 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 -51:sc= 0.567 USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 637 SER OG : rot -104:sc= 0.917 USER MOD Single : A 638 MET CE :methyl -148:sc= -9.19! (180deg=-10.7!) USER MOD Single : A 642 THR OG1 : rot -87:sc= 1.22 USER MOD Single : A 644 GLN : amide:sc= 0.298 X(o=0.3,f=0) USER MOD Single : A 648 GLN : amide:sc= -5.07 X(o=-5.1,f=-5.5!) USER MOD Single : A 650 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 653 SER OG : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 546 5.548 -6.854 2.435 1.00 13.53 N ATOM 57 CA GLN A 546 6.267 -7.468 3.538 1.00 30.30 C ATOM 58 C GLN A 546 5.313 -7.755 4.700 1.00 44.22 C ATOM 59 O GLN A 546 4.460 -6.931 5.024 1.00 12.24 O ATOM 60 CB GLN A 546 7.433 -6.588 3.991 1.00 44.35 C ATOM 61 CG GLN A 546 8.643 -6.765 3.071 1.00 25.52 C ATOM 62 CD GLN A 546 9.803 -5.870 3.512 1.00 40.21 C ATOM 63 OE1 GLN A 546 10.923 -6.312 3.708 1.00 30.15 O ATOM 64 NE2 GLN A 546 9.473 -4.589 3.655 1.00 23.33 N ATOM 0 HA GLN A 546 6.683 -8.414 3.192 1.00 30.30 H new ATOM 0 HB2 GLN A 546 7.124 -5.543 3.995 1.00 44.35 H new ATOM 0 HB3 GLN A 546 7.709 -6.842 5.014 1.00 44.35 H new ATOM 0 HG2 GLN A 546 8.960 -7.808 3.078 1.00 25.52 H new ATOM 0 HG3 GLN A 546 8.363 -6.524 2.045 1.00 25.52 H new ATOM 0 HE21 GLN A 546 8.516 -4.286 3.475 1.00 23.33 H new ATOM 0 HE22 GLN A 546 10.177 -3.910 3.945 1.00 23.33 H new ATOM 73 N PHE A 547 5.491 -8.926 5.294 1.00 13.51 N ATOM 74 CA PHE A 547 4.657 -9.331 6.413 1.00 53.13 C ATOM 75 C PHE A 547 5.393 -10.325 7.314 1.00 54.24 C ATOM 76 O PHE A 547 5.508 -11.503 6.980 1.00 40.01 O ATOM 77 CB PHE A 547 3.420 -10.013 5.824 1.00 0.04 C ATOM 78 CG PHE A 547 2.925 -9.386 4.520 1.00 51.34 C ATOM 79 CD1 PHE A 547 3.623 -9.572 3.368 1.00 44.13 C ATOM 80 CD2 PHE A 547 1.786 -8.642 4.512 1.00 43.02 C ATOM 81 CE1 PHE A 547 3.164 -8.990 2.157 1.00 51.23 C ATOM 82 CE2 PHE A 547 1.327 -8.060 3.301 1.00 52.11 C ATOM 83 CZ PHE A 547 2.025 -8.246 2.149 1.00 63.11 C ATOM 0 H PHE A 547 6.200 -9.607 5.022 1.00 13.51 H new ATOM 0 HA PHE A 547 4.394 -8.462 7.016 1.00 53.13 H new ATOM 0 HB2 PHE A 547 3.647 -11.064 5.646 1.00 0.04 H new ATOM 0 HB3 PHE A 547 2.616 -9.981 6.559 1.00 0.04 H new ATOM 0 HD1 PHE A 547 4.527 -10.163 3.374 1.00 44.13 H new ATOM 0 HD2 PHE A 547 1.231 -8.494 5.427 1.00 43.02 H new ATOM 0 HE1 PHE A 547 3.719 -9.138 1.242 1.00 51.23 H new ATOM 0 HE2 PHE A 547 0.423 -7.469 3.295 1.00 52.11 H new ATOM 0 HZ PHE A 547 1.675 -7.803 1.228 1.00 63.11 H new ATOM 93 N PRO A 548 5.884 -9.799 8.468 1.00 62.43 N ATOM 94 CA PRO A 548 6.606 -10.627 9.419 1.00 31.31 C ATOM 95 C PRO A 548 5.647 -11.530 10.198 1.00 62.42 C ATOM 96 O PRO A 548 4.524 -11.133 10.503 1.00 1.54 O ATOM 97 CB PRO A 548 7.352 -9.646 10.308 1.00 13.23 C ATOM 98 CG PRO A 548 6.660 -8.305 10.121 1.00 31.23 C ATOM 99 CD PRO A 548 5.767 -8.409 8.896 1.00 54.40 C ATOM 0 HA PRO A 548 7.301 -11.314 8.936 1.00 31.31 H new ATOM 0 HB2 PRO A 548 7.319 -9.961 11.351 1.00 13.23 H new ATOM 0 HB3 PRO A 548 8.403 -9.586 10.027 1.00 13.23 H new ATOM 0 HG2 PRO A 548 6.071 -8.053 11.003 1.00 31.23 H new ATOM 0 HG3 PRO A 548 7.395 -7.511 9.991 1.00 31.23 H new ATOM 0 HD2 PRO A 548 4.735 -8.154 9.136 1.00 54.40 H new ATOM 0 HD3 PRO A 548 6.090 -7.725 8.111 1.00 54.40 H new ATOM 107 N VAL A 549 6.126 -12.729 10.497 1.00 72.12 N ATOM 108 CA VAL A 549 5.325 -13.692 11.234 1.00 4.12 C ATOM 109 C VAL A 549 4.771 -13.028 12.496 1.00 10.31 C ATOM 110 O VAL A 549 3.598 -13.195 12.826 1.00 71.32 O ATOM 111 CB VAL A 549 6.155 -14.943 11.532 1.00 14.21 C ATOM 112 CG1 VAL A 549 6.536 -15.668 10.240 1.00 21.22 C ATOM 113 CG2 VAL A 549 7.398 -14.594 12.353 1.00 52.21 C ATOM 0 H VAL A 549 7.058 -13.055 10.242 1.00 72.12 H new ATOM 0 HA VAL A 549 4.473 -14.017 10.637 1.00 4.12 H new ATOM 0 HB VAL A 549 5.541 -15.619 12.127 1.00 14.21 H new ATOM 0 HG11 VAL A 549 7.125 -16.553 10.480 1.00 21.22 H new ATOM 0 HG12 VAL A 549 5.632 -15.967 9.710 1.00 21.22 H new ATOM 0 HG13 VAL A 549 7.123 -15.001 9.608 1.00 21.22 H new ATOM 0 HG21 VAL A 549 7.970 -15.501 12.551 1.00 52.21 H new ATOM 0 HG22 VAL A 549 8.016 -13.890 11.796 1.00 52.21 H new ATOM 0 HG23 VAL A 549 7.095 -14.143 13.298 1.00 52.21 H new ATOM 123 N GLU A 550 5.641 -12.288 13.168 1.00 51.44 N ATOM 124 CA GLU A 550 5.253 -11.597 14.386 1.00 71.40 C ATOM 125 C GLU A 550 4.014 -10.735 14.136 1.00 30.11 C ATOM 126 O GLU A 550 3.216 -10.511 15.045 1.00 72.03 O ATOM 127 CB GLU A 550 6.408 -10.754 14.929 1.00 14.55 C ATOM 128 CG GLU A 550 7.053 -9.926 13.816 1.00 2.23 C ATOM 129 CD GLU A 550 7.725 -8.674 14.383 1.00 12.55 C ATOM 130 OE1 GLU A 550 8.110 -8.656 15.562 1.00 34.31 O ATOM 131 OE2 GLU A 550 7.843 -7.694 13.552 1.00 34.12 O ATOM 0 H GLU A 550 6.613 -12.152 12.892 1.00 51.44 H new ATOM 0 HA GLU A 550 5.005 -12.343 15.141 1.00 71.40 H new ATOM 0 HB2 GLU A 550 6.042 -10.092 15.714 1.00 14.55 H new ATOM 0 HB3 GLU A 550 7.156 -11.404 15.383 1.00 14.55 H new ATOM 0 HG2 GLU A 550 7.790 -10.531 13.288 1.00 2.23 H new ATOM 0 HG3 GLU A 550 6.296 -9.638 13.087 1.00 2.23 H new ATOM 139 N HIS A 551 3.892 -10.275 12.900 1.00 41.04 N ATOM 140 CA HIS A 551 2.764 -9.442 12.519 1.00 71.32 C ATOM 141 C HIS A 551 1.611 -10.327 12.040 1.00 24.40 C ATOM 142 O HIS A 551 0.453 -9.914 12.068 1.00 2.01 O ATOM 143 CB HIS A 551 3.184 -8.401 11.479 1.00 35.30 C ATOM 144 CG HIS A 551 3.668 -7.100 12.073 1.00 23.54 C ATOM 145 ND1 HIS A 551 3.877 -5.962 11.315 1.00 2.42 N ATOM 146 CD2 HIS A 551 3.982 -6.770 13.359 1.00 35.01 C ATOM 147 CE1 HIS A 551 4.298 -4.996 12.119 1.00 41.25 C ATOM 148 NE2 HIS A 551 4.363 -5.499 13.385 1.00 54.13 N ATOM 0 H HIS A 551 4.556 -10.463 12.149 1.00 41.04 H new ATOM 0 HA HIS A 551 2.411 -8.883 13.386 1.00 71.32 H new ATOM 0 HB2 HIS A 551 3.975 -8.821 10.858 1.00 35.30 H new ATOM 0 HB3 HIS A 551 2.338 -8.196 10.823 1.00 35.30 H new ATOM 0 HD2 HIS A 551 3.929 -7.431 14.211 1.00 35.01 H new ATOM 0 HE1 HIS A 551 4.546 -3.987 11.823 1.00 41.25 H new ATOM 0 HE2 HIS A 551 4.656 -4.983 14.215 1.00 54.13 H new ATOM 156 N VAL A 552 1.969 -11.529 11.612 1.00 41.04 N ATOM 157 CA VAL A 552 0.979 -12.476 11.127 1.00 23.24 C ATOM 158 C VAL A 552 0.514 -13.358 12.287 1.00 35.45 C ATOM 159 O VAL A 552 1.331 -13.968 12.975 1.00 11.04 O ATOM 160 CB VAL A 552 1.552 -13.280 9.958 1.00 51.51 C ATOM 161 CG1 VAL A 552 0.664 -14.482 9.632 1.00 61.10 C ATOM 162 CG2 VAL A 552 1.747 -12.392 8.727 1.00 62.32 C ATOM 0 H VAL A 552 2.931 -11.869 11.591 1.00 41.04 H new ATOM 0 HA VAL A 552 0.103 -11.951 10.745 1.00 23.24 H new ATOM 0 HB VAL A 552 2.530 -13.658 10.257 1.00 51.51 H new ATOM 0 HG11 VAL A 552 1.094 -15.036 8.798 1.00 61.10 H new ATOM 0 HG12 VAL A 552 0.598 -15.133 10.504 1.00 61.10 H new ATOM 0 HG13 VAL A 552 -0.333 -14.135 9.362 1.00 61.10 H new ATOM 0 HG21 VAL A 552 2.155 -12.987 7.910 1.00 62.32 H new ATOM 0 HG22 VAL A 552 0.787 -11.972 8.426 1.00 62.32 H new ATOM 0 HG23 VAL A 552 2.437 -11.584 8.967 1.00 62.32 H new ATOM 172 N GLN A 553 -0.798 -13.398 12.469 1.00 73.31 N ATOM 173 CA GLN A 553 -1.383 -14.196 13.534 1.00 44.32 C ATOM 174 C GLN A 553 -2.176 -15.365 12.947 1.00 13.22 C ATOM 175 O GLN A 553 -2.739 -15.254 11.859 1.00 45.12 O ATOM 176 CB GLN A 553 -2.264 -13.336 14.442 1.00 5.04 C ATOM 177 CG GLN A 553 -2.632 -14.090 15.722 1.00 53.04 C ATOM 178 CD GLN A 553 -2.844 -13.122 16.887 1.00 2.52 C ATOM 179 OE1 GLN A 553 -2.092 -13.091 17.847 1.00 24.53 O ATOM 180 NE2 GLN A 553 -3.907 -12.334 16.750 1.00 4.11 N ATOM 0 H GLN A 553 -1.473 -12.891 11.897 1.00 73.31 H new ATOM 0 HA GLN A 553 -0.576 -14.601 14.144 1.00 44.32 H new ATOM 0 HB2 GLN A 553 -1.740 -12.414 14.696 1.00 5.04 H new ATOM 0 HB3 GLN A 553 -3.172 -13.051 13.910 1.00 5.04 H new ATOM 0 HG2 GLN A 553 -3.539 -14.671 15.558 1.00 53.04 H new ATOM 0 HG3 GLN A 553 -1.841 -14.797 15.972 1.00 53.04 H new ATOM 0 HE21 GLN A 553 -4.496 -12.411 15.921 1.00 4.11 H new ATOM 0 HE22 GLN A 553 -4.133 -11.652 17.474 1.00 4.11 H new ATOM 189 N LEU A 554 -2.197 -16.459 13.694 1.00 2.34 N ATOM 190 CA LEU A 554 -2.912 -17.647 13.262 1.00 74.10 C ATOM 191 C LEU A 554 -4.346 -17.596 13.794 1.00 50.31 C ATOM 192 O LEU A 554 -4.570 -17.709 14.998 1.00 25.21 O ATOM 193 CB LEU A 554 -2.150 -18.910 13.670 1.00 51.54 C ATOM 194 CG LEU A 554 -0.935 -19.266 12.811 1.00 72.25 C ATOM 195 CD1 LEU A 554 -0.768 -20.783 12.701 1.00 43.13 C ATOM 196 CD2 LEU A 554 -1.020 -18.598 11.437 1.00 41.12 C ATOM 0 H LEU A 554 -1.730 -16.547 14.596 1.00 2.34 H new ATOM 0 HA LEU A 554 -2.975 -17.678 12.174 1.00 74.10 H new ATOM 0 HB2 LEU A 554 -1.819 -18.794 14.702 1.00 51.54 H new ATOM 0 HB3 LEU A 554 -2.843 -19.751 13.650 1.00 51.54 H new ATOM 0 HG LEU A 554 -0.043 -18.878 13.303 1.00 72.25 H new ATOM 0 HD11 LEU A 554 0.103 -21.010 12.085 1.00 43.13 H new ATOM 0 HD12 LEU A 554 -0.629 -21.207 13.696 1.00 43.13 H new ATOM 0 HD13 LEU A 554 -1.658 -21.215 12.244 1.00 43.13 H new ATOM 0 HD21 LEU A 554 -0.144 -18.867 10.847 1.00 41.12 H new ATOM 0 HD22 LEU A 554 -1.921 -18.934 10.924 1.00 41.12 H new ATOM 0 HD23 LEU A 554 -1.055 -17.516 11.560 1.00 41.12 H new ATOM 208 N LEU A 555 -5.280 -17.425 12.870 1.00 12.41 N ATOM 209 CA LEU A 555 -6.686 -17.357 13.231 1.00 11.20 C ATOM 210 C LEU A 555 -7.493 -18.254 12.291 1.00 74.12 C ATOM 211 O LEU A 555 -6.969 -18.864 11.359 1.00 31.15 O ATOM 212 CB LEU A 555 -7.164 -15.903 13.255 1.00 64.42 C ATOM 213 CG LEU A 555 -6.118 -14.860 13.653 1.00 22.25 C ATOM 214 CD1 LEU A 555 -5.432 -14.272 12.419 1.00 24.30 C ATOM 215 CD2 LEU A 555 -6.735 -13.775 14.537 1.00 14.25 C ATOM 0 H LEU A 555 -5.091 -17.332 11.872 1.00 12.41 H new ATOM 0 HA LEU A 555 -6.838 -17.735 14.242 1.00 11.20 H new ATOM 0 HB2 LEU A 555 -7.543 -15.649 12.265 1.00 64.42 H new ATOM 0 HB3 LEU A 555 -8.004 -15.829 13.946 1.00 64.42 H new ATOM 0 HG LEU A 555 -5.348 -15.357 14.243 1.00 22.25 H new ATOM 0 HD11 LEU A 555 -4.693 -13.533 12.731 1.00 24.30 H new ATOM 0 HD12 LEU A 555 -4.937 -15.069 11.864 1.00 24.30 H new ATOM 0 HD13 LEU A 555 -6.176 -13.794 11.782 1.00 24.30 H new ATOM 0 HD21 LEU A 555 -5.970 -13.046 14.806 1.00 14.25 H new ATOM 0 HD22 LEU A 555 -7.537 -13.276 13.994 1.00 14.25 H new ATOM 0 HD23 LEU A 555 -7.138 -14.229 15.442 1.00 14.25 H new ATOM 227 N CYS A 556 -8.794 -18.322 12.558 1.00 50.44 N ATOM 228 CA CYS A 556 -9.699 -19.135 11.754 1.00 3.51 C ATOM 229 C CYS A 556 -10.500 -18.266 10.789 1.00 14.44 C ATOM 230 O CYS A 556 -11.468 -17.634 11.211 1.00 41.53 O ATOM 231 CB CYS A 556 -10.649 -19.922 12.658 1.00 70.44 C ATOM 232 SG CYS A 556 -11.380 -21.392 11.866 1.00 41.43 S ATOM 0 H CYS A 556 -9.245 -17.823 13.325 1.00 50.44 H new ATOM 0 HA CYS A 556 -9.099 -19.834 11.172 1.00 3.51 H new ATOM 0 HB2 CYS A 556 -10.108 -20.235 13.551 1.00 70.44 H new ATOM 0 HB3 CYS A 556 -11.452 -19.262 12.986 1.00 70.44 H new ATOM 0 HG CYS A 556 -11.817 -22.206 12.781 1.00 41.43 H new ATOM 237 N ILE A 557 -10.086 -18.252 9.531 1.00 22.41 N ATOM 238 CA ILE A 557 -10.772 -17.460 8.525 1.00 13.11 C ATOM 239 C ILE A 557 -12.267 -17.414 8.851 1.00 45.04 C ATOM 240 O ILE A 557 -12.920 -16.393 8.641 1.00 71.33 O ATOM 241 CB ILE A 557 -10.464 -17.990 7.123 1.00 33.13 C ATOM 242 CG1 ILE A 557 -11.474 -19.062 6.708 1.00 14.32 C ATOM 243 CG2 ILE A 557 -9.023 -18.495 7.033 1.00 61.33 C ATOM 244 CD1 ILE A 557 -11.262 -19.481 5.252 1.00 24.23 C ATOM 0 H ILE A 557 -9.283 -18.777 9.185 1.00 22.41 H new ATOM 0 HA ILE A 557 -10.410 -16.432 8.538 1.00 13.11 H new ATOM 0 HB ILE A 557 -10.561 -17.165 6.417 1.00 33.13 H new ATOM 0 HG12 ILE A 557 -11.375 -19.931 7.358 1.00 14.32 H new ATOM 0 HG13 ILE A 557 -12.487 -18.681 6.837 1.00 14.32 H new ATOM 0 HG21 ILE A 557 -8.830 -18.866 6.027 1.00 61.33 H new ATOM 0 HG22 ILE A 557 -8.337 -17.678 7.257 1.00 61.33 H new ATOM 0 HG23 ILE A 557 -8.874 -19.301 7.752 1.00 61.33 H new ATOM 0 HD11 ILE A 557 -11.993 -20.244 4.983 1.00 24.23 H new ATOM 0 HD12 ILE A 557 -11.386 -18.615 4.602 1.00 24.23 H new ATOM 0 HD13 ILE A 557 -10.256 -19.884 5.132 1.00 24.23 H new ATOM 256 N ASN A 558 -12.764 -18.532 9.358 1.00 23.31 N ATOM 257 CA ASN A 558 -14.169 -18.633 9.715 1.00 43.53 C ATOM 258 C ASN A 558 -14.422 -17.841 11.000 1.00 70.35 C ATOM 259 O ASN A 558 -15.197 -16.887 11.002 1.00 15.51 O ATOM 260 CB ASN A 558 -14.570 -20.087 9.968 1.00 12.12 C ATOM 261 CG ASN A 558 -15.019 -20.766 8.673 1.00 44.25 C ATOM 262 OD1 ASN A 558 -14.438 -20.587 7.614 1.00 13.44 O ATOM 263 ND2 ASN A 558 -16.081 -21.553 8.814 1.00 71.11 N ATOM 0 H ASN A 558 -12.219 -19.377 9.530 1.00 23.31 H new ATOM 0 HA ASN A 558 -14.757 -18.236 8.887 1.00 43.53 H new ATOM 0 HB2 ASN A 558 -13.727 -20.631 10.395 1.00 12.12 H new ATOM 0 HB3 ASN A 558 -15.377 -20.123 10.700 1.00 12.12 H new ATOM 0 HD21 ASN A 558 -16.457 -22.051 8.007 1.00 71.11 H new ATOM 0 HD22 ASN A 558 -16.520 -21.659 9.729 1.00 71.11 H new ATOM 270 N CYS A 559 -13.753 -18.268 12.061 1.00 52.22 N ATOM 271 CA CYS A 559 -13.896 -17.611 13.349 1.00 31.01 C ATOM 272 C CYS A 559 -13.071 -16.323 13.326 1.00 41.12 C ATOM 273 O CYS A 559 -13.627 -15.226 13.316 1.00 43.43 O ATOM 274 CB CYS A 559 -13.486 -18.531 14.501 1.00 14.42 C ATOM 275 SG CYS A 559 -14.013 -20.273 14.316 1.00 22.55 S ATOM 0 H CYS A 559 -13.111 -19.060 12.055 1.00 52.22 H new ATOM 0 HA CYS A 559 -14.944 -17.366 13.521 1.00 31.01 H new ATOM 0 HB2 CYS A 559 -12.401 -18.503 14.601 1.00 14.42 H new ATOM 0 HB3 CYS A 559 -13.902 -18.137 15.428 1.00 14.42 H new ATOM 0 HG CYS A 559 -14.727 -20.398 13.237 1.00 22.55 H new ATOM 280 N MET A 560 -11.758 -16.499 13.318 1.00 62.21 N ATOM 281 CA MET A 560 -10.851 -15.364 13.296 1.00 25.40 C ATOM 282 C MET A 560 -10.719 -14.740 14.687 1.00 72.41 C ATOM 283 O MET A 560 -10.802 -13.522 14.835 1.00 74.20 O ATOM 284 CB MET A 560 -11.370 -14.314 12.312 1.00 30.21 C ATOM 285 CG MET A 560 -11.752 -14.956 10.977 1.00 42.45 C ATOM 286 SD MET A 560 -12.451 -13.727 9.887 1.00 14.11 S ATOM 287 CE MET A 560 -14.190 -14.058 10.122 1.00 4.21 C ATOM 0 H MET A 560 -11.300 -17.411 13.326 1.00 62.21 H new ATOM 0 HA MET A 560 -9.868 -15.715 12.981 1.00 25.40 H new ATOM 0 HB2 MET A 560 -12.237 -13.808 12.738 1.00 30.21 H new ATOM 0 HB3 MET A 560 -10.606 -13.554 12.149 1.00 30.21 H new ATOM 0 HG2 MET A 560 -10.873 -15.406 10.515 1.00 42.45 H new ATOM 0 HG3 MET A 560 -12.471 -15.759 11.142 1.00 42.45 H new ATOM 0 HE1 MET A 560 -14.746 -13.121 10.091 1.00 4.21 H new ATOM 0 HE2 MET A 560 -14.545 -14.717 9.330 1.00 4.21 H new ATOM 0 HE3 MET A 560 -14.342 -14.538 11.089 1.00 4.21 H new ATOM 297 N VAL A 561 -10.516 -15.604 15.671 1.00 51.10 N ATOM 298 CA VAL A 561 -10.372 -15.153 17.045 1.00 54.33 C ATOM 299 C VAL A 561 -8.913 -15.306 17.477 1.00 21.34 C ATOM 300 O VAL A 561 -8.541 -14.896 18.575 1.00 3.35 O ATOM 301 CB VAL A 561 -11.347 -15.910 17.949 1.00 62.20 C ATOM 302 CG1 VAL A 561 -12.656 -16.210 17.215 1.00 5.23 C ATOM 303 CG2 VAL A 561 -10.712 -17.195 18.485 1.00 62.04 C ATOM 0 H VAL A 561 -10.448 -16.614 15.544 1.00 51.10 H new ATOM 0 HA VAL A 561 -10.626 -14.096 17.129 1.00 54.33 H new ATOM 0 HB VAL A 561 -11.580 -15.270 18.800 1.00 62.20 H new ATOM 0 HG11 VAL A 561 -13.331 -16.749 17.880 1.00 5.23 H new ATOM 0 HG12 VAL A 561 -13.122 -15.275 16.905 1.00 5.23 H new ATOM 0 HG13 VAL A 561 -12.449 -16.821 16.336 1.00 5.23 H new ATOM 0 HG21 VAL A 561 -11.426 -17.714 19.125 1.00 62.04 H new ATOM 0 HG22 VAL A 561 -10.436 -17.840 17.651 1.00 62.04 H new ATOM 0 HG23 VAL A 561 -9.821 -16.947 19.062 1.00 62.04 H new ATOM 313 N ALA A 562 -8.126 -15.899 16.592 1.00 43.24 N ATOM 314 CA ALA A 562 -6.715 -16.112 16.868 1.00 12.31 C ATOM 315 C ALA A 562 -6.545 -17.413 17.654 1.00 22.13 C ATOM 316 O ALA A 562 -6.762 -17.444 18.865 1.00 61.33 O ATOM 317 CB ALA A 562 -6.153 -14.901 17.616 1.00 41.03 C ATOM 0 H ALA A 562 -8.438 -16.239 15.683 1.00 43.24 H new ATOM 0 HA ALA A 562 -6.153 -16.212 15.940 1.00 12.31 H new ATOM 0 HB1 ALA A 562 -5.095 -15.060 17.823 1.00 41.03 H new ATOM 0 HB2 ALA A 562 -6.272 -14.007 17.003 1.00 41.03 H new ATOM 0 HB3 ALA A 562 -6.691 -14.772 18.555 1.00 41.03 H new ATOM 323 N VAL A 563 -6.158 -18.456 16.934 1.00 3.33 N ATOM 324 CA VAL A 563 -5.956 -19.757 17.549 1.00 2.44 C ATOM 325 C VAL A 563 -4.466 -19.956 17.834 1.00 44.34 C ATOM 326 O VAL A 563 -4.077 -20.933 18.471 1.00 62.43 O ATOM 327 CB VAL A 563 -6.547 -20.853 16.661 1.00 64.13 C ATOM 328 CG1 VAL A 563 -8.060 -20.961 16.856 1.00 31.14 C ATOM 329 CG2 VAL A 563 -6.199 -20.613 15.190 1.00 35.21 C ATOM 0 H VAL A 563 -5.979 -18.426 15.930 1.00 3.33 H new ATOM 0 HA VAL A 563 -6.479 -19.814 18.503 1.00 2.44 H new ATOM 0 HB VAL A 563 -6.103 -21.802 16.960 1.00 64.13 H new ATOM 0 HG11 VAL A 563 -8.455 -21.748 16.213 1.00 31.14 H new ATOM 0 HG12 VAL A 563 -8.276 -21.201 17.897 1.00 31.14 H new ATOM 0 HG13 VAL A 563 -8.529 -20.012 16.597 1.00 31.14 H new ATOM 0 HG21 VAL A 563 -6.631 -21.406 14.580 1.00 35.21 H new ATOM 0 HG22 VAL A 563 -6.602 -19.651 14.873 1.00 35.21 H new ATOM 0 HG23 VAL A 563 -5.116 -20.611 15.068 1.00 35.21 H new ATOM 339 N GLY A 564 -3.672 -19.013 17.347 1.00 10.22 N ATOM 340 CA GLY A 564 -2.233 -19.072 17.541 1.00 72.40 C ATOM 341 C GLY A 564 -1.542 -17.872 16.890 1.00 31.41 C ATOM 342 O GLY A 564 -2.182 -16.860 16.610 1.00 1.21 O ATOM 0 H GLY A 564 -3.998 -18.204 16.818 1.00 10.22 H new ATOM 0 HA2 GLY A 564 -2.007 -19.092 18.607 1.00 72.40 H new ATOM 0 HA3 GLY A 564 -1.843 -19.996 17.115 1.00 72.40 H new ATOM 346 N HIS A 565 -0.245 -18.026 16.668 1.00 0.34 N ATOM 347 CA HIS A 565 0.540 -16.967 16.056 1.00 72.43 C ATOM 348 C HIS A 565 1.233 -17.503 14.801 1.00 10.13 C ATOM 349 O HIS A 565 1.604 -18.674 14.745 1.00 63.22 O ATOM 350 CB HIS A 565 1.521 -16.365 17.064 1.00 74.31 C ATOM 351 CG HIS A 565 0.894 -15.369 18.011 1.00 61.54 C ATOM 352 ND1 HIS A 565 0.901 -14.006 17.776 1.00 13.52 N ATOM 353 CD2 HIS A 565 0.242 -15.554 19.194 1.00 14.32 C ATOM 354 CE1 HIS A 565 0.278 -13.406 18.780 1.00 5.42 C ATOM 355 NE2 HIS A 565 -0.129 -14.367 19.658 1.00 2.32 N ATOM 0 H HIS A 565 0.282 -18.868 16.901 1.00 0.34 H new ATOM 0 HA HIS A 565 -0.117 -16.154 15.748 1.00 72.43 H new ATOM 0 HB2 HIS A 565 1.969 -17.171 17.645 1.00 74.31 H new ATOM 0 HB3 HIS A 565 2.329 -15.876 16.521 1.00 74.31 H new ATOM 0 HD2 HIS A 565 0.059 -16.505 19.672 1.00 14.32 H new ATOM 0 HE1 HIS A 565 0.120 -12.343 18.885 1.00 5.42 H new ATOM 0 HE2 HIS A 565 -0.635 -14.201 20.528 1.00 2.32 H new ATOM 363 N GLY A 566 1.386 -16.619 13.826 1.00 24.21 N ATOM 364 CA GLY A 566 2.028 -16.988 12.576 1.00 64.21 C ATOM 365 C GLY A 566 3.541 -17.129 12.757 1.00 21.30 C ATOM 366 O GLY A 566 4.251 -17.488 11.819 1.00 45.30 O ATOM 0 H GLY A 566 1.076 -15.648 13.876 1.00 24.21 H new ATOM 0 HA2 GLY A 566 1.612 -17.928 12.213 1.00 64.21 H new ATOM 0 HA3 GLY A 566 1.818 -16.233 11.818 1.00 64.21 H new ATOM 370 N SER A 567 3.989 -16.840 13.970 1.00 62.01 N ATOM 371 CA SER A 567 5.405 -16.930 14.286 1.00 74.10 C ATOM 372 C SER A 567 5.640 -18.030 15.323 1.00 61.20 C ATOM 373 O SER A 567 6.727 -18.131 15.891 1.00 54.51 O ATOM 374 CB SER A 567 5.940 -15.592 14.800 1.00 22.42 C ATOM 375 OG SER A 567 5.674 -15.409 16.188 1.00 12.40 O ATOM 0 H SER A 567 3.397 -16.543 14.746 1.00 62.01 H new ATOM 0 HA SER A 567 5.945 -17.179 13.373 1.00 74.10 H new ATOM 0 HB2 SER A 567 7.015 -15.541 14.627 1.00 22.42 H new ATOM 0 HB3 SER A 567 5.487 -14.778 14.234 1.00 22.42 H new ATOM 0 HG SER A 567 6.032 -14.544 16.479 1.00 12.40 H new ATOM 381 N ASP A 568 4.604 -18.828 15.538 1.00 2.44 N ATOM 382 CA ASP A 568 4.685 -19.917 16.497 1.00 13.51 C ATOM 383 C ASP A 568 4.631 -21.252 15.752 1.00 53.54 C ATOM 384 O ASP A 568 4.980 -22.292 16.308 1.00 50.43 O ATOM 385 CB ASP A 568 3.511 -19.875 17.478 1.00 41.23 C ATOM 386 CG ASP A 568 3.635 -18.832 18.591 1.00 70.24 C ATOM 387 OD1 ASP A 568 2.656 -18.520 19.285 1.00 24.33 O ATOM 388 OD2 ASP A 568 4.812 -18.325 18.734 1.00 65.21 O ATOM 0 H ASP A 568 3.705 -18.742 15.065 1.00 2.44 H new ATOM 0 HA ASP A 568 5.620 -19.813 17.048 1.00 13.51 H new ATOM 0 HB2 ASP A 568 2.596 -19.680 16.918 1.00 41.23 H new ATOM 0 HB3 ASP A 568 3.402 -20.859 17.934 1.00 41.23 H new ATOM 394 N LEU A 569 4.190 -21.179 14.504 1.00 2.12 N ATOM 395 CA LEU A 569 4.086 -22.369 13.677 1.00 40.22 C ATOM 396 C LEU A 569 5.391 -22.562 12.902 1.00 2.11 C ATOM 397 O LEU A 569 6.205 -21.644 12.811 1.00 52.11 O ATOM 398 CB LEU A 569 2.846 -22.293 12.784 1.00 61.34 C ATOM 399 CG LEU A 569 2.718 -21.037 11.919 1.00 34.42 C ATOM 400 CD1 LEU A 569 4.088 -20.566 11.429 1.00 22.52 C ATOM 401 CD2 LEU A 569 1.743 -21.265 10.762 1.00 34.43 C ATOM 0 H LEU A 569 3.901 -20.315 14.046 1.00 2.12 H new ATOM 0 HA LEU A 569 3.950 -23.254 14.298 1.00 40.22 H new ATOM 0 HB2 LEU A 569 2.841 -23.164 12.128 1.00 61.34 H new ATOM 0 HB3 LEU A 569 1.962 -22.366 13.417 1.00 61.34 H new ATOM 0 HG LEU A 569 2.305 -20.239 12.536 1.00 34.42 H new ATOM 0 HD11 LEU A 569 3.968 -19.672 10.817 1.00 22.52 H new ATOM 0 HD12 LEU A 569 4.722 -20.337 12.286 1.00 22.52 H new ATOM 0 HD13 LEU A 569 4.552 -21.353 10.835 1.00 22.52 H new ATOM 0 HD21 LEU A 569 1.670 -20.357 10.163 1.00 34.43 H new ATOM 0 HD22 LEU A 569 2.103 -22.083 10.138 1.00 34.43 H new ATOM 0 HD23 LEU A 569 0.760 -21.517 11.159 1.00 34.43 H new ATOM 413 N ARG A 570 5.550 -23.762 12.364 1.00 65.01 N ATOM 414 CA ARG A 570 6.743 -24.087 11.600 1.00 70.40 C ATOM 415 C ARG A 570 6.401 -25.065 10.473 1.00 4.53 C ATOM 416 O ARG A 570 5.238 -25.415 10.282 1.00 51.31 O ATOM 417 CB ARG A 570 7.818 -24.707 12.495 1.00 62.12 C ATOM 418 CG ARG A 570 7.202 -25.694 13.489 1.00 3.41 C ATOM 419 CD ARG A 570 7.065 -27.085 12.867 1.00 11.24 C ATOM 420 NE ARG A 570 5.978 -27.833 13.537 1.00 20.42 N ATOM 421 CZ ARG A 570 5.968 -29.174 13.695 1.00 23.05 C ATOM 422 NH1 ARG A 570 6.989 -29.926 13.232 1.00 24.14 N ATOM 423 NH2 ARG A 570 4.945 -29.739 14.310 1.00 44.43 N ATOM 0 H ARG A 570 4.873 -24.521 12.442 1.00 65.01 H new ATOM 0 HA ARG A 570 7.129 -23.160 11.177 1.00 70.40 H new ATOM 0 HB2 ARG A 570 8.558 -25.219 11.880 1.00 62.12 H new ATOM 0 HB3 ARG A 570 8.344 -23.920 13.036 1.00 62.12 H new ATOM 0 HG2 ARG A 570 7.823 -25.751 14.383 1.00 3.41 H new ATOM 0 HG3 ARG A 570 6.222 -25.335 13.804 1.00 3.41 H new ATOM 0 HD2 ARG A 570 6.854 -26.997 11.801 1.00 11.24 H new ATOM 0 HD3 ARG A 570 8.005 -27.629 12.962 1.00 11.24 H new ATOM 0 HE ARG A 570 5.187 -27.303 13.902 1.00 20.42 H new ATOM 0 HH11 ARG A 570 7.776 -29.482 12.759 1.00 24.14 H new ATOM 0 HH12 ARG A 570 6.974 -30.938 13.355 1.00 24.14 H new ATOM 0 HH21 ARG A 570 4.178 -29.164 14.657 1.00 44.43 H new ATOM 0 HH22 ARG A 570 4.922 -30.751 14.437 1.00 44.43 H new ATOM 436 N LYS A 571 7.437 -25.477 9.757 1.00 73.21 N ATOM 437 CA LYS A 571 7.261 -26.407 8.654 1.00 31.03 C ATOM 438 C LYS A 571 7.898 -27.750 9.018 1.00 11.45 C ATOM 439 O LYS A 571 8.755 -27.816 9.899 1.00 52.35 O ATOM 440 CB LYS A 571 7.797 -25.804 7.354 1.00 23.33 C ATOM 441 CG LYS A 571 7.117 -26.433 6.137 1.00 53.13 C ATOM 442 CD LYS A 571 7.574 -25.756 4.843 1.00 54.11 C ATOM 443 CE LYS A 571 7.390 -24.239 4.923 1.00 30.24 C ATOM 444 NZ LYS A 571 7.329 -23.652 3.566 1.00 0.22 N ATOM 0 H LYS A 571 8.401 -25.184 9.919 1.00 73.21 H new ATOM 0 HA LYS A 571 6.202 -26.594 8.478 1.00 31.03 H new ATOM 0 HB2 LYS A 571 7.630 -24.727 7.352 1.00 23.33 H new ATOM 0 HB3 LYS A 571 8.874 -25.959 7.294 1.00 23.33 H new ATOM 0 HG2 LYS A 571 7.348 -27.497 6.096 1.00 53.13 H new ATOM 0 HG3 LYS A 571 6.035 -26.346 6.235 1.00 53.13 H new ATOM 0 HD2 LYS A 571 8.622 -25.989 4.657 1.00 54.11 H new ATOM 0 HD3 LYS A 571 7.005 -26.151 4.001 1.00 54.11 H new ATOM 0 HE2 LYS A 571 6.475 -24.006 5.468 1.00 30.24 H new ATOM 0 HE3 LYS A 571 8.215 -23.796 5.481 1.00 30.24 H new ATOM 0 HZ1 LYS A 571 7.204 -22.622 3.639 1.00 0.22 H new ATOM 0 HZ2 LYS A 571 8.213 -23.859 3.058 1.00 0.22 H new ATOM 0 HZ3 LYS A 571 6.527 -24.062 3.046 1.00 0.22 H new ATOM 457 N VAL A 572 7.455 -28.787 8.323 1.00 12.41 N ATOM 458 CA VAL A 572 7.971 -30.124 8.562 1.00 10.32 C ATOM 459 C VAL A 572 8.513 -30.698 7.252 1.00 60.31 C ATOM 460 O VAL A 572 7.743 -31.088 6.376 1.00 61.45 O ATOM 461 CB VAL A 572 6.886 -30.998 9.195 1.00 4.10 C ATOM 462 CG1 VAL A 572 7.069 -32.466 8.805 1.00 53.00 C ATOM 463 CG2 VAL A 572 6.867 -30.833 10.716 1.00 44.20 C ATOM 0 H VAL A 572 6.744 -28.728 7.594 1.00 12.41 H new ATOM 0 HA VAL A 572 8.799 -30.093 9.270 1.00 10.32 H new ATOM 0 HB VAL A 572 5.922 -30.666 8.810 1.00 4.10 H new ATOM 0 HG11 VAL A 572 6.285 -33.066 9.268 1.00 53.00 H new ATOM 0 HG12 VAL A 572 7.009 -32.565 7.721 1.00 53.00 H new ATOM 0 HG13 VAL A 572 8.043 -32.815 9.148 1.00 53.00 H new ATOM 0 HG21 VAL A 572 6.087 -31.465 11.141 1.00 44.20 H new ATOM 0 HG22 VAL A 572 7.834 -31.125 11.126 1.00 44.20 H new ATOM 0 HG23 VAL A 572 6.667 -29.791 10.966 1.00 44.20 H new ATOM 473 N GLU A 573 9.834 -30.732 7.160 1.00 63.44 N ATOM 474 CA GLU A 573 10.488 -31.253 5.971 1.00 3.20 C ATOM 475 C GLU A 573 9.794 -30.731 4.712 1.00 74.45 C ATOM 476 O GLU A 573 9.678 -31.449 3.719 1.00 24.35 O ATOM 477 CB GLU A 573 10.518 -32.782 5.987 1.00 24.41 C ATOM 478 CG GLU A 573 9.102 -33.359 5.939 1.00 21.31 C ATOM 479 CD GLU A 573 9.133 -34.866 5.676 1.00 74.22 C ATOM 480 OE1 GLU A 573 9.390 -35.652 6.600 1.00 45.11 O ATOM 481 OE2 GLU A 573 8.875 -35.213 4.460 1.00 11.42 O ATOM 0 H GLU A 573 10.469 -30.407 7.889 1.00 63.44 H new ATOM 0 HA GLU A 573 11.520 -30.903 5.965 1.00 3.20 H new ATOM 0 HB2 GLU A 573 11.092 -33.147 5.135 1.00 24.41 H new ATOM 0 HB3 GLU A 573 11.026 -33.130 6.886 1.00 24.41 H new ATOM 0 HG2 GLU A 573 8.593 -33.161 6.882 1.00 21.31 H new ATOM 0 HG3 GLU A 573 8.529 -32.861 5.157 1.00 21.31 H new ATOM 489 N GLY A 574 9.349 -29.486 4.792 1.00 13.03 N ATOM 490 CA GLY A 574 8.668 -28.860 3.671 1.00 25.12 C ATOM 491 C GLY A 574 7.658 -29.819 3.039 1.00 55.33 C ATOM 492 O GLY A 574 7.614 -29.963 1.818 1.00 74.40 O ATOM 0 H GLY A 574 9.447 -28.893 5.616 1.00 13.03 H new ATOM 0 HA2 GLY A 574 8.157 -27.958 4.009 1.00 25.12 H new ATOM 0 HA3 GLY A 574 9.399 -28.551 2.923 1.00 25.12 H new ATOM 496 N THR A 575 6.870 -30.449 3.898 1.00 50.31 N ATOM 497 CA THR A 575 5.862 -31.389 3.439 1.00 63.45 C ATOM 498 C THR A 575 4.460 -30.863 3.750 1.00 30.23 C ATOM 499 O THR A 575 3.598 -30.827 2.874 1.00 75.30 O ATOM 500 CB THR A 575 6.158 -32.748 4.077 1.00 15.15 C ATOM 501 OG1 THR A 575 7.201 -33.291 3.273 1.00 53.33 O ATOM 502 CG2 THR A 575 5.003 -33.738 3.908 1.00 1.24 C ATOM 0 H THR A 575 6.909 -30.327 4.910 1.00 50.31 H new ATOM 0 HA THR A 575 5.896 -31.508 2.356 1.00 63.45 H new ATOM 0 HB THR A 575 6.368 -32.612 5.138 1.00 15.15 H new ATOM 0 HG1 THR A 575 7.609 -34.052 3.737 1.00 53.33 H new ATOM 0 HG21 THR A 575 5.264 -34.686 4.378 1.00 1.24 H new ATOM 0 HG22 THR A 575 4.106 -33.335 4.378 1.00 1.24 H new ATOM 0 HG23 THR A 575 4.815 -33.900 2.847 1.00 1.24 H new ATOM 510 N HIS A 576 4.276 -30.468 5.001 1.00 34.03 N ATOM 511 CA HIS A 576 2.993 -29.945 5.440 1.00 73.33 C ATOM 512 C HIS A 576 3.190 -29.076 6.683 1.00 24.55 C ATOM 513 O HIS A 576 3.626 -29.566 7.724 1.00 2.03 O ATOM 514 CB HIS A 576 1.991 -31.080 5.662 1.00 21.24 C ATOM 515 CG HIS A 576 1.185 -31.437 4.436 1.00 30.23 C ATOM 516 ND1 HIS A 576 1.158 -32.714 3.903 1.00 52.15 N ATOM 517 CD2 HIS A 576 0.377 -30.672 3.647 1.00 64.42 C ATOM 518 CE1 HIS A 576 0.367 -32.706 2.839 1.00 2.15 C ATOM 519 NE2 HIS A 576 -0.115 -31.440 2.682 1.00 11.33 N ATOM 0 H HIS A 576 4.994 -30.500 5.725 1.00 34.03 H new ATOM 0 HA HIS A 576 2.569 -29.311 4.661 1.00 73.33 H new ATOM 0 HB2 HIS A 576 2.530 -31.965 6.000 1.00 21.24 H new ATOM 0 HB3 HIS A 576 1.308 -30.797 6.463 1.00 21.24 H new ATOM 0 HD2 HIS A 576 0.172 -29.620 3.784 1.00 64.42 H new ATOM 0 HE1 HIS A 576 0.144 -33.553 2.208 1.00 2.15 H new ATOM 0 HE2 HIS A 576 -0.749 -31.133 1.944 1.00 11.33 H new ATOM 527 N HIS A 577 2.860 -27.802 6.534 1.00 23.02 N ATOM 528 CA HIS A 577 2.996 -26.860 7.632 1.00 21.24 C ATOM 529 C HIS A 577 2.343 -27.439 8.889 1.00 71.31 C ATOM 530 O HIS A 577 1.481 -28.312 8.799 1.00 71.22 O ATOM 531 CB HIS A 577 2.431 -25.492 7.247 1.00 11.33 C ATOM 532 CG HIS A 577 3.022 -24.917 5.982 1.00 71.11 C ATOM 533 ND1 HIS A 577 3.934 -23.876 5.986 1.00 54.11 N ATOM 534 CD2 HIS A 577 2.823 -25.250 4.674 1.00 13.42 C ATOM 535 CE1 HIS A 577 4.261 -23.602 4.732 1.00 52.43 C ATOM 536 NE2 HIS A 577 3.571 -24.454 3.920 1.00 12.32 N ATOM 0 H HIS A 577 2.499 -27.400 5.669 1.00 23.02 H new ATOM 0 HA HIS A 577 4.052 -26.703 7.853 1.00 21.24 H new ATOM 0 HB2 HIS A 577 1.351 -25.578 7.125 1.00 11.33 H new ATOM 0 HB3 HIS A 577 2.605 -24.795 8.067 1.00 11.33 H new ATOM 0 HD2 HIS A 577 2.168 -26.029 4.313 1.00 13.42 H new ATOM 0 HE1 HIS A 577 4.953 -22.838 4.409 1.00 52.43 H new ATOM 0 HE2 HIS A 577 3.622 -24.476 2.901 1.00 12.32 H new ATOM 544 N VAL A 578 2.779 -26.930 10.032 1.00 54.03 N ATOM 545 CA VAL A 578 2.247 -27.386 11.305 1.00 1.40 C ATOM 546 C VAL A 578 2.495 -26.314 12.369 1.00 61.31 C ATOM 547 O VAL A 578 3.618 -25.836 12.523 1.00 13.13 O ATOM 548 CB VAL A 578 2.853 -28.742 11.670 1.00 64.11 C ATOM 549 CG1 VAL A 578 2.031 -29.888 11.076 1.00 3.31 C ATOM 550 CG2 VAL A 578 4.315 -28.827 11.224 1.00 34.32 C ATOM 0 H VAL A 578 3.494 -26.206 10.103 1.00 54.03 H new ATOM 0 HA VAL A 578 1.169 -27.535 11.238 1.00 1.40 H new ATOM 0 HB VAL A 578 2.827 -28.839 12.755 1.00 64.11 H new ATOM 0 HG11 VAL A 578 2.484 -30.841 11.351 1.00 3.31 H new ATOM 0 HG12 VAL A 578 1.013 -29.845 11.464 1.00 3.31 H new ATOM 0 HG13 VAL A 578 2.010 -29.796 9.990 1.00 3.31 H new ATOM 0 HG21 VAL A 578 4.722 -29.801 11.495 1.00 34.32 H new ATOM 0 HG22 VAL A 578 4.374 -28.697 10.143 1.00 34.32 H new ATOM 0 HG23 VAL A 578 4.891 -28.043 11.715 1.00 34.32 H new ATOM 560 N ASN A 579 1.429 -25.969 13.075 1.00 35.11 N ATOM 561 CA ASN A 579 1.516 -24.963 14.120 1.00 63.20 C ATOM 562 C ASN A 579 1.634 -25.655 15.479 1.00 32.25 C ATOM 563 O ASN A 579 0.695 -26.311 15.929 1.00 4.14 O ATOM 564 CB ASN A 579 0.265 -24.083 14.144 1.00 70.31 C ATOM 565 CG ASN A 579 0.233 -23.210 15.400 1.00 53.02 C ATOM 566 OD1 ASN A 579 -0.808 -22.955 15.984 1.00 62.24 O ATOM 567 ND2 ASN A 579 1.427 -22.767 15.781 1.00 2.13 N ATOM 0 H ASN A 579 0.500 -26.368 12.944 1.00 35.11 H new ATOM 0 HA ASN A 579 2.389 -24.342 13.918 1.00 63.20 H new ATOM 0 HB2 ASN A 579 0.244 -23.451 13.257 1.00 70.31 H new ATOM 0 HB3 ASN A 579 -0.626 -24.710 14.110 1.00 70.31 H new ATOM 0 HD21 ASN A 579 1.512 -22.176 16.608 1.00 2.13 H new ATOM 0 HD22 ASN A 579 2.259 -23.018 15.246 1.00 2.13 H new ATOM 574 N VAL A 580 2.794 -25.485 16.096 1.00 63.43 N ATOM 575 CA VAL A 580 3.047 -26.086 17.395 1.00 54.52 C ATOM 576 C VAL A 580 2.553 -25.141 18.493 1.00 72.14 C ATOM 577 O VAL A 580 2.849 -23.948 18.469 1.00 5.44 O ATOM 578 CB VAL A 580 4.530 -26.436 17.530 1.00 12.12 C ATOM 579 CG1 VAL A 580 4.750 -27.472 18.634 1.00 11.35 C ATOM 580 CG2 VAL A 580 5.101 -26.925 16.198 1.00 45.31 C ATOM 0 H VAL A 580 3.570 -24.939 15.720 1.00 63.43 H new ATOM 0 HA VAL A 580 2.496 -27.021 17.498 1.00 54.52 H new ATOM 0 HB VAL A 580 5.064 -25.528 17.811 1.00 12.12 H new ATOM 0 HG11 VAL A 580 5.812 -27.703 18.709 1.00 11.35 H new ATOM 0 HG12 VAL A 580 4.398 -27.071 19.584 1.00 11.35 H new ATOM 0 HG13 VAL A 580 4.197 -28.381 18.396 1.00 11.35 H new ATOM 0 HG21 VAL A 580 6.157 -27.167 16.322 1.00 45.31 H new ATOM 0 HG22 VAL A 580 4.560 -27.814 15.875 1.00 45.31 H new ATOM 0 HG23 VAL A 580 4.994 -26.142 15.447 1.00 45.31 H new ATOM 590 N ASN A 581 1.808 -25.711 19.428 1.00 33.11 N ATOM 591 CA ASN A 581 1.270 -24.935 20.533 1.00 51.04 C ATOM 592 C ASN A 581 0.461 -25.854 21.450 1.00 23.22 C ATOM 593 O ASN A 581 -0.375 -26.625 20.982 1.00 53.20 O ATOM 594 CB ASN A 581 0.338 -23.832 20.028 1.00 54.21 C ATOM 595 CG ASN A 581 1.107 -22.532 19.785 1.00 3.02 C ATOM 596 OD1 ASN A 581 1.278 -22.081 18.664 1.00 33.14 O ATOM 597 ND2 ASN A 581 1.561 -21.957 20.895 1.00 2.21 N ATOM 0 H ASN A 581 1.564 -26.701 19.444 1.00 33.11 H new ATOM 0 HA ASN A 581 2.106 -24.485 21.068 1.00 51.04 H new ATOM 0 HB2 ASN A 581 -0.143 -24.152 19.104 1.00 54.21 H new ATOM 0 HB3 ASN A 581 -0.454 -23.659 20.756 1.00 54.21 H new ATOM 0 HD21 ASN A 581 2.088 -21.085 20.839 1.00 2.21 H new ATOM 0 HD22 ASN A 581 1.382 -22.388 21.802 1.00 2.21 H new ATOM 604 N PRO A 582 0.747 -25.740 22.775 1.00 52.41 N ATOM 605 CA PRO A 582 0.056 -26.551 23.762 1.00 32.14 C ATOM 606 C PRO A 582 -1.369 -26.043 23.990 1.00 11.51 C ATOM 607 O PRO A 582 -2.280 -26.830 24.243 1.00 51.45 O ATOM 608 CB PRO A 582 0.921 -26.474 25.010 1.00 54.21 C ATOM 609 CG PRO A 582 1.812 -25.257 24.825 1.00 51.55 C ATOM 610 CD PRO A 582 1.731 -24.838 23.366 1.00 44.24 C ATOM 0 HA PRO A 582 -0.069 -27.586 23.443 1.00 32.14 H new ATOM 0 HB2 PRO A 582 0.307 -26.376 25.905 1.00 54.21 H new ATOM 0 HB3 PRO A 582 1.516 -27.379 25.129 1.00 54.21 H new ATOM 0 HG2 PRO A 582 1.487 -24.444 25.474 1.00 51.55 H new ATOM 0 HG3 PRO A 582 2.841 -25.492 25.098 1.00 51.55 H new ATOM 0 HD2 PRO A 582 1.422 -23.797 23.270 1.00 44.24 H new ATOM 0 HD3 PRO A 582 2.699 -24.930 22.873 1.00 44.24 H new ATOM 618 N ASN A 583 -1.517 -24.730 23.892 1.00 13.55 N ATOM 619 CA ASN A 583 -2.816 -24.107 24.085 1.00 41.45 C ATOM 620 C ASN A 583 -3.654 -24.284 22.817 1.00 33.31 C ATOM 621 O ASN A 583 -4.807 -23.859 22.767 1.00 75.33 O ATOM 622 CB ASN A 583 -2.673 -22.607 24.351 1.00 53.24 C ATOM 623 CG ASN A 583 -1.386 -22.307 25.121 1.00 11.52 C ATOM 624 OD1 ASN A 583 -0.333 -22.070 24.553 1.00 25.41 O ATOM 625 ND2 ASN A 583 -1.529 -22.329 26.443 1.00 14.32 N ATOM 0 H ASN A 583 -0.759 -24.080 23.682 1.00 13.55 H new ATOM 0 HA ASN A 583 -3.294 -24.581 24.942 1.00 41.45 H new ATOM 0 HB2 ASN A 583 -2.670 -22.065 23.405 1.00 53.24 H new ATOM 0 HB3 ASN A 583 -3.532 -22.251 24.919 1.00 53.24 H new ATOM 0 HD21 ASN A 583 -0.728 -22.140 27.046 1.00 14.32 H new ATOM 0 HD22 ASN A 583 -2.440 -22.535 26.854 1.00 14.32 H new ATOM 632 N PHE A 584 -3.042 -24.913 21.824 1.00 12.04 N ATOM 633 CA PHE A 584 -3.718 -25.152 20.560 1.00 22.14 C ATOM 634 C PHE A 584 -4.763 -26.261 20.698 1.00 24.44 C ATOM 635 O PHE A 584 -5.781 -26.250 20.008 1.00 45.30 O ATOM 636 CB PHE A 584 -2.649 -25.596 19.559 1.00 15.31 C ATOM 637 CG PHE A 584 -2.942 -25.185 18.115 1.00 43.05 C ATOM 638 CD1 PHE A 584 -3.011 -23.868 17.783 1.00 52.12 C ATOM 639 CD2 PHE A 584 -3.132 -26.137 17.162 1.00 20.01 C ATOM 640 CE1 PHE A 584 -3.282 -23.487 16.442 1.00 13.31 C ATOM 641 CE2 PHE A 584 -3.403 -25.756 15.821 1.00 11.14 C ATOM 642 CZ PHE A 584 -3.473 -24.439 15.490 1.00 44.23 C ATOM 0 H PHE A 584 -2.085 -25.264 21.869 1.00 12.04 H new ATOM 0 HA PHE A 584 -4.230 -24.246 20.234 1.00 22.14 H new ATOM 0 HB2 PHE A 584 -1.689 -25.176 19.858 1.00 15.31 H new ATOM 0 HB3 PHE A 584 -2.551 -26.681 19.605 1.00 15.31 H new ATOM 0 HD1 PHE A 584 -2.860 -23.112 18.539 1.00 52.12 H new ATOM 0 HD2 PHE A 584 -3.077 -27.183 17.425 1.00 20.01 H new ATOM 0 HE1 PHE A 584 -3.336 -22.441 16.178 1.00 13.31 H new ATOM 0 HE2 PHE A 584 -3.553 -26.512 15.064 1.00 11.14 H new ATOM 0 HZ PHE A 584 -3.680 -24.149 14.471 1.00 44.23 H new ATOM 652 N SER A 585 -4.475 -27.193 21.595 1.00 64.52 N ATOM 653 CA SER A 585 -5.376 -28.308 21.832 1.00 15.32 C ATOM 654 C SER A 585 -6.719 -27.792 22.353 1.00 35.11 C ATOM 655 O SER A 585 -7.736 -28.475 22.242 1.00 32.41 O ATOM 656 CB SER A 585 -4.771 -29.305 22.822 1.00 60.24 C ATOM 657 OG SER A 585 -5.756 -30.175 23.373 1.00 70.10 O ATOM 0 H SER A 585 -3.630 -27.199 22.166 1.00 64.52 H new ATOM 0 HA SER A 585 -5.534 -28.827 20.887 1.00 15.32 H new ATOM 0 HB2 SER A 585 -4.006 -29.896 22.319 1.00 60.24 H new ATOM 0 HB3 SER A 585 -4.276 -28.762 23.627 1.00 60.24 H new ATOM 0 HG SER A 585 -5.330 -30.797 23.999 1.00 70.10 H new ATOM 663 N ASN A 586 -6.680 -26.591 22.910 1.00 1.34 N ATOM 664 CA ASN A 586 -7.881 -25.975 23.449 1.00 71.52 C ATOM 665 C ASN A 586 -8.603 -25.216 22.334 1.00 12.44 C ATOM 666 O ASN A 586 -9.753 -24.811 22.498 1.00 32.12 O ATOM 667 CB ASN A 586 -7.539 -24.977 24.557 1.00 74.51 C ATOM 668 CG ASN A 586 -7.452 -25.675 25.916 1.00 64.54 C ATOM 669 OD1 ASN A 586 -8.246 -25.446 26.813 1.00 72.43 O ATOM 670 ND2 ASN A 586 -6.444 -26.538 26.017 1.00 40.52 N ATOM 0 H ASN A 586 -5.835 -26.027 23.000 1.00 1.34 H new ATOM 0 HA ASN A 586 -8.511 -26.765 23.858 1.00 71.52 H new ATOM 0 HB2 ASN A 586 -6.590 -24.490 24.333 1.00 74.51 H new ATOM 0 HB3 ASN A 586 -8.297 -24.195 24.594 1.00 74.51 H new ATOM 0 HD21 ASN A 586 -6.300 -27.055 26.884 1.00 40.52 H new ATOM 0 HD22 ASN A 586 -5.815 -26.683 25.227 1.00 40.52 H new ATOM 677 N TYR A 587 -7.898 -25.045 21.226 1.00 53.54 N ATOM 678 CA TYR A 587 -8.458 -24.340 20.084 1.00 23.43 C ATOM 679 C TYR A 587 -9.012 -25.324 19.051 1.00 3.42 C ATOM 680 O TYR A 587 -9.459 -24.917 17.980 1.00 73.20 O ATOM 681 CB TYR A 587 -7.298 -23.562 19.459 1.00 32.04 C ATOM 682 CG TYR A 587 -7.128 -22.147 20.015 1.00 5.12 C ATOM 683 CD1 TYR A 587 -8.181 -21.256 19.971 1.00 62.34 C ATOM 684 CD2 TYR A 587 -5.920 -21.761 20.561 1.00 12.14 C ATOM 685 CE1 TYR A 587 -8.020 -19.924 20.494 1.00 72.33 C ATOM 686 CE2 TYR A 587 -5.760 -20.429 21.085 1.00 44.14 C ATOM 687 CZ TYR A 587 -6.817 -19.576 21.025 1.00 75.41 C ATOM 688 OH TYR A 587 -6.666 -18.318 21.519 1.00 62.41 O ATOM 0 H TYR A 587 -6.944 -25.382 21.094 1.00 53.54 H new ATOM 0 HA TYR A 587 -9.276 -23.691 20.396 1.00 23.43 H new ATOM 0 HB2 TYR A 587 -6.374 -24.117 19.618 1.00 32.04 H new ATOM 0 HB3 TYR A 587 -7.453 -23.502 18.382 1.00 32.04 H new ATOM 0 HD1 TYR A 587 -9.126 -21.558 19.544 1.00 62.34 H new ATOM 0 HD2 TYR A 587 -5.095 -22.458 20.595 1.00 12.14 H new ATOM 0 HE1 TYR A 587 -8.836 -19.217 20.465 1.00 72.33 H new ATOM 0 HE2 TYR A 587 -4.821 -20.115 21.516 1.00 44.14 H new ATOM 0 HH TYR A 587 -6.638 -17.677 20.778 1.00 62.41 H new ATOM 698 N TYR A 588 -8.964 -26.598 19.409 1.00 24.32 N ATOM 699 CA TYR A 588 -9.455 -27.643 18.527 1.00 52.44 C ATOM 700 C TYR A 588 -9.670 -28.950 19.291 1.00 20.50 C ATOM 701 O TYR A 588 -9.064 -29.168 20.339 1.00 12.33 O ATOM 702 CB TYR A 588 -8.364 -27.854 17.475 1.00 53.22 C ATOM 703 CG TYR A 588 -7.184 -28.696 17.963 1.00 71.11 C ATOM 704 CD1 TYR A 588 -7.354 -30.043 18.212 1.00 44.11 C ATOM 705 CD2 TYR A 588 -5.950 -28.109 18.154 1.00 23.13 C ATOM 706 CE1 TYR A 588 -6.243 -30.836 18.671 1.00 2.33 C ATOM 707 CE2 TYR A 588 -4.839 -28.902 18.614 1.00 42.13 C ATOM 708 CZ TYR A 588 -5.040 -30.226 18.850 1.00 72.04 C ATOM 709 OH TYR A 588 -3.991 -30.975 19.283 1.00 10.25 O ATOM 0 H TYR A 588 -8.592 -26.931 20.299 1.00 24.32 H new ATOM 0 HA TYR A 588 -10.410 -27.356 18.087 1.00 52.44 H new ATOM 0 HB2 TYR A 588 -8.804 -28.335 16.602 1.00 53.22 H new ATOM 0 HB3 TYR A 588 -7.994 -26.882 17.150 1.00 53.22 H new ATOM 0 HD1 TYR A 588 -8.320 -30.502 18.063 1.00 44.11 H new ATOM 0 HD2 TYR A 588 -5.817 -27.055 17.959 1.00 23.13 H new ATOM 0 HE1 TYR A 588 -6.362 -31.891 18.869 1.00 2.33 H new ATOM 0 HE2 TYR A 588 -3.868 -28.455 18.768 1.00 42.13 H new ATOM 0 HH TYR A 588 -3.196 -30.408 19.365 1.00 10.25 H new ATOM 719 N ASN A 589 -10.534 -29.788 18.737 1.00 53.35 N ATOM 720 CA ASN A 589 -10.837 -31.068 19.353 1.00 64.30 C ATOM 721 C ASN A 589 -10.625 -32.185 18.329 1.00 54.03 C ATOM 722 O ASN A 589 -11.176 -32.136 17.230 1.00 64.33 O ATOM 723 CB ASN A 589 -12.292 -31.125 19.820 1.00 13.43 C ATOM 724 CG ASN A 589 -12.572 -30.051 20.874 1.00 22.33 C ATOM 725 OD1 ASN A 589 -12.531 -30.293 22.070 1.00 44.35 O ATOM 726 ND2 ASN A 589 -12.858 -28.856 20.366 1.00 3.15 N ATOM 0 H ASN A 589 -11.034 -29.605 17.867 1.00 53.35 H new ATOM 0 HA ASN A 589 -10.178 -31.192 20.212 1.00 64.30 H new ATOM 0 HB2 ASN A 589 -12.957 -30.985 18.968 1.00 13.43 H new ATOM 0 HB3 ASN A 589 -12.507 -32.110 20.234 1.00 13.43 H new ATOM 0 HD21 ASN A 589 -13.060 -28.073 20.987 1.00 3.15 H new ATOM 0 HD22 ASN A 589 -12.875 -28.722 19.355 1.00 3.15 H new ATOM 733 N VAL A 590 -9.827 -33.165 18.726 1.00 70.05 N ATOM 734 CA VAL A 590 -9.536 -34.292 17.856 1.00 72.13 C ATOM 735 C VAL A 590 -10.772 -35.190 17.761 1.00 4.22 C ATOM 736 O VAL A 590 -11.421 -35.467 18.769 1.00 43.44 O ATOM 737 CB VAL A 590 -8.295 -35.034 18.357 1.00 13.40 C ATOM 738 CG1 VAL A 590 -8.239 -36.453 17.790 1.00 65.32 C ATOM 739 CG2 VAL A 590 -7.020 -34.258 18.022 1.00 51.54 C ATOM 0 H VAL A 590 -9.373 -33.202 19.639 1.00 70.05 H new ATOM 0 HA VAL A 590 -9.306 -33.947 16.848 1.00 72.13 H new ATOM 0 HB VAL A 590 -8.365 -35.110 19.442 1.00 13.40 H new ATOM 0 HG11 VAL A 590 -7.348 -36.958 18.162 1.00 65.32 H new ATOM 0 HG12 VAL A 590 -9.126 -37.005 18.102 1.00 65.32 H new ATOM 0 HG13 VAL A 590 -8.204 -36.409 16.701 1.00 65.32 H new ATOM 0 HG21 VAL A 590 -6.153 -34.807 18.389 1.00 51.54 H new ATOM 0 HG22 VAL A 590 -6.942 -34.136 16.942 1.00 51.54 H new ATOM 0 HG23 VAL A 590 -7.056 -33.277 18.496 1.00 51.54 H new ATOM 749 N SER A 591 -11.059 -35.620 16.541 1.00 13.34 N ATOM 750 CA SER A 591 -12.205 -36.480 16.302 1.00 33.42 C ATOM 751 C SER A 591 -12.028 -37.807 17.044 1.00 3.44 C ATOM 752 O SER A 591 -10.978 -38.056 17.635 1.00 41.20 O ATOM 753 CB SER A 591 -12.402 -36.732 14.806 1.00 54.20 C ATOM 754 OG SER A 591 -13.238 -37.859 14.560 1.00 74.43 O ATOM 0 H SER A 591 -10.518 -35.389 15.708 1.00 13.34 H new ATOM 0 HA SER A 591 -13.095 -35.976 16.679 1.00 33.42 H new ATOM 0 HB2 SER A 591 -12.841 -35.848 14.344 1.00 54.20 H new ATOM 0 HB3 SER A 591 -11.432 -36.890 14.334 1.00 54.20 H new ATOM 0 HG SER A 591 -13.341 -37.985 13.594 1.00 74.43 H new ATOM 966 N TRP A 604 6.061 -39.122 10.860 1.00 62.23 N ATOM 967 CA TRP A 604 5.098 -39.009 11.942 1.00 62.31 C ATOM 968 C TRP A 604 3.983 -40.026 11.691 1.00 62.43 C ATOM 969 O TRP A 604 3.946 -40.665 10.640 1.00 54.20 O ATOM 970 CB TRP A 604 4.582 -37.575 12.069 1.00 55.15 C ATOM 971 CG TRP A 604 4.040 -36.991 10.762 1.00 34.03 C ATOM 972 CD1 TRP A 604 3.829 -37.624 9.600 1.00 33.43 C ATOM 973 CD2 TRP A 604 3.646 -35.622 10.530 1.00 33.15 C ATOM 974 NE1 TRP A 604 3.330 -36.767 8.640 1.00 32.44 N ATOM 975 CE2 TRP A 604 3.215 -35.511 9.224 1.00 31.12 C ATOM 976 CE3 TRP A 604 3.653 -34.514 11.396 1.00 30.21 C ATOM 977 CZ2 TRP A 604 2.760 -34.310 8.666 1.00 34.54 C ATOM 978 CZ3 TRP A 604 3.195 -33.322 10.823 1.00 0.55 C ATOM 979 CH2 TRP A 604 2.758 -33.193 9.510 1.00 22.32 C ATOM 0 HA TRP A 604 5.566 -39.235 12.900 1.00 62.31 H new ATOM 0 HB2 TRP A 604 3.794 -37.549 12.821 1.00 55.15 H new ATOM 0 HB3 TRP A 604 5.390 -36.940 12.432 1.00 55.15 H new ATOM 0 HD1 TRP A 604 4.025 -38.673 9.435 1.00 33.43 H new ATOM 0 HE1 TRP A 604 3.090 -37.011 7.679 1.00 32.44 H new ATOM 0 HE3 TRP A 604 3.985 -34.578 12.422 1.00 30.21 H new ATOM 0 HZ2 TRP A 604 2.429 -34.249 7.640 1.00 34.54 H new ATOM 0 HZ3 TRP A 604 3.180 -32.440 11.446 1.00 0.55 H new ATOM 0 HH2 TRP A 604 2.419 -32.236 9.143 1.00 22.32 H new ATOM 990 N LYS A 605 3.102 -40.146 12.673 1.00 3.51 N ATOM 991 CA LYS A 605 1.989 -41.074 12.572 1.00 63.22 C ATOM 992 C LYS A 605 0.674 -40.299 12.665 1.00 14.23 C ATOM 993 O LYS A 605 0.656 -39.150 13.104 1.00 51.34 O ATOM 994 CB LYS A 605 2.123 -42.186 13.614 1.00 70.52 C ATOM 995 CG LYS A 605 1.496 -41.769 14.945 1.00 14.33 C ATOM 996 CD LYS A 605 1.942 -42.697 16.077 1.00 74.13 C ATOM 997 CE LYS A 605 3.340 -42.324 16.573 1.00 13.44 C ATOM 998 NZ LYS A 605 3.655 -43.046 17.826 1.00 14.24 N ATOM 0 H LYS A 605 3.137 -39.615 13.543 1.00 3.51 H new ATOM 0 HA LYS A 605 1.996 -41.574 11.603 1.00 63.22 H new ATOM 0 HB2 LYS A 605 1.640 -43.092 13.248 1.00 70.52 H new ATOM 0 HB3 LYS A 605 3.176 -42.425 13.763 1.00 70.52 H new ATOM 0 HG2 LYS A 605 1.779 -40.743 15.179 1.00 14.33 H new ATOM 0 HG3 LYS A 605 0.409 -41.788 14.861 1.00 14.33 H new ATOM 0 HD2 LYS A 605 1.232 -42.638 16.902 1.00 74.13 H new ATOM 0 HD3 LYS A 605 1.940 -43.730 15.728 1.00 74.13 H new ATOM 0 HE2 LYS A 605 4.080 -42.567 15.810 1.00 13.44 H new ATOM 0 HE3 LYS A 605 3.398 -41.249 16.742 1.00 13.44 H new ATOM 0 HZ1 LYS A 605 4.607 -42.781 18.149 1.00 14.24 H new ATOM 0 HZ2 LYS A 605 2.959 -42.794 18.556 1.00 14.24 H new ATOM 0 HZ3 LYS A 605 3.620 -44.071 17.654 1.00 14.24 H new ATOM 1011 N PRO A 606 -0.424 -40.976 12.235 1.00 35.01 N ATOM 1012 CA PRO A 606 -1.742 -40.363 12.266 1.00 25.21 C ATOM 1013 C PRO A 606 -2.289 -40.313 13.694 1.00 53.52 C ATOM 1014 O PRO A 606 -2.062 -41.229 14.483 1.00 52.45 O ATOM 1015 CB PRO A 606 -2.592 -41.210 11.333 1.00 24.23 C ATOM 1016 CG PRO A 606 -1.852 -42.529 11.178 1.00 34.33 C ATOM 1017 CD PRO A 606 -0.441 -42.338 11.710 1.00 74.12 C ATOM 0 HA PRO A 606 -1.731 -39.323 11.938 1.00 25.21 H new ATOM 0 HB2 PRO A 606 -3.588 -41.367 11.747 1.00 24.23 H new ATOM 0 HB3 PRO A 606 -2.721 -40.719 10.369 1.00 24.23 H new ATOM 0 HG2 PRO A 606 -2.363 -43.320 11.727 1.00 34.33 H new ATOM 0 HG3 PRO A 606 -1.827 -42.832 10.131 1.00 34.33 H new ATOM 0 HD2 PRO A 606 -0.209 -43.065 12.488 1.00 74.12 H new ATOM 0 HD3 PRO A 606 0.300 -42.468 10.922 1.00 74.12 H new ATOM 1025 N GLY A 607 -3.001 -39.233 13.983 1.00 44.44 N ATOM 1026 CA GLY A 607 -3.583 -39.051 15.301 1.00 2.44 C ATOM 1027 C GLY A 607 -5.110 -38.997 15.224 1.00 41.00 C ATOM 1028 O GLY A 607 -5.781 -40.007 15.428 1.00 72.33 O ATOM 0 H GLY A 607 -3.188 -38.475 13.326 1.00 44.44 H new ATOM 0 HA2 GLY A 607 -3.277 -39.869 15.954 1.00 2.44 H new ATOM 0 HA3 GLY A 607 -3.205 -38.130 15.745 1.00 2.44 H new ATOM 1032 N GLY A 608 -5.614 -37.808 14.929 1.00 12.20 N ATOM 1033 CA GLY A 608 -7.050 -37.609 14.822 1.00 23.22 C ATOM 1034 C GLY A 608 -7.370 -36.305 14.088 1.00 23.42 C ATOM 1035 O GLY A 608 -6.600 -35.348 14.152 1.00 61.14 O ATOM 0 H GLY A 608 -5.054 -36.972 14.761 1.00 12.20 H new ATOM 0 HA2 GLY A 608 -7.498 -38.449 14.291 1.00 23.22 H new ATOM 0 HA3 GLY A 608 -7.493 -37.588 15.818 1.00 23.22 H new ATOM 1039 N VAL A 609 -8.507 -36.310 13.408 1.00 21.23 N ATOM 1040 CA VAL A 609 -8.938 -35.140 12.663 1.00 12.21 C ATOM 1041 C VAL A 609 -9.056 -33.949 13.616 1.00 40.40 C ATOM 1042 O VAL A 609 -9.630 -34.069 14.697 1.00 3.44 O ATOM 1043 CB VAL A 609 -10.242 -35.443 11.921 1.00 5.10 C ATOM 1044 CG1 VAL A 609 -10.557 -34.350 10.898 1.00 63.02 C ATOM 1045 CG2 VAL A 609 -10.185 -36.819 11.254 1.00 15.23 C ATOM 0 H VAL A 609 -9.143 -37.106 13.358 1.00 21.23 H new ATOM 0 HA VAL A 609 -8.201 -34.878 11.904 1.00 12.21 H new ATOM 0 HB VAL A 609 -11.049 -35.459 12.653 1.00 5.10 H new ATOM 0 HG11 VAL A 609 -11.488 -34.590 10.385 1.00 63.02 H new ATOM 0 HG12 VAL A 609 -10.660 -33.393 11.409 1.00 63.02 H new ATOM 0 HG13 VAL A 609 -9.747 -34.288 10.171 1.00 63.02 H new ATOM 0 HG21 VAL A 609 -11.123 -37.010 10.734 1.00 15.23 H new ATOM 0 HG22 VAL A 609 -9.362 -36.843 10.539 1.00 15.23 H new ATOM 0 HG23 VAL A 609 -10.029 -37.585 12.013 1.00 15.23 H new ATOM 1055 N ILE A 610 -8.504 -32.826 13.180 1.00 25.10 N ATOM 1056 CA ILE A 610 -8.539 -31.614 13.981 1.00 74.12 C ATOM 1057 C ILE A 610 -9.603 -30.669 13.420 1.00 53.43 C ATOM 1058 O ILE A 610 -9.869 -30.670 12.219 1.00 74.42 O ATOM 1059 CB ILE A 610 -7.146 -30.989 14.069 1.00 2.20 C ATOM 1060 CG1 ILE A 610 -6.057 -32.060 13.978 1.00 33.23 C ATOM 1061 CG2 ILE A 610 -7.007 -30.136 15.331 1.00 4.44 C ATOM 1062 CD1 ILE A 610 -4.738 -31.552 14.562 1.00 4.12 C ATOM 0 H ILE A 610 -8.030 -32.730 12.282 1.00 25.10 H new ATOM 0 HA ILE A 610 -8.825 -31.844 15.008 1.00 74.12 H new ATOM 0 HB ILE A 610 -7.015 -30.324 13.215 1.00 2.20 H new ATOM 0 HG12 ILE A 610 -6.376 -32.954 14.514 1.00 33.23 H new ATOM 0 HG13 ILE A 610 -5.911 -32.348 12.937 1.00 33.23 H new ATOM 0 HG21 ILE A 610 -6.007 -29.703 15.369 1.00 4.44 H new ATOM 0 HG22 ILE A 610 -7.748 -29.337 15.313 1.00 4.44 H new ATOM 0 HG23 ILE A 610 -7.166 -30.759 16.211 1.00 4.44 H new ATOM 0 HD11 ILE A 610 -3.981 -32.333 14.485 1.00 4.12 H new ATOM 0 HD12 ILE A 610 -4.410 -30.672 14.008 1.00 4.12 H new ATOM 0 HD13 ILE A 610 -4.882 -31.288 15.610 1.00 4.12 H new ATOM 1074 N SER A 611 -10.183 -29.883 14.316 1.00 71.34 N ATOM 1075 CA SER A 611 -11.212 -28.935 13.925 1.00 51.31 C ATOM 1076 C SER A 611 -11.173 -27.712 14.844 1.00 20.21 C ATOM 1077 O SER A 611 -10.864 -27.831 16.029 1.00 61.43 O ATOM 1078 CB SER A 611 -12.599 -29.581 13.960 1.00 45.33 C ATOM 1079 OG SER A 611 -13.616 -28.644 14.305 1.00 45.02 O ATOM 0 H SER A 611 -9.960 -29.884 15.311 1.00 71.34 H new ATOM 0 HA SER A 611 -11.014 -28.619 12.901 1.00 51.31 H new ATOM 0 HB2 SER A 611 -12.821 -30.015 12.985 1.00 45.33 H new ATOM 0 HB3 SER A 611 -12.600 -30.399 14.681 1.00 45.33 H new ATOM 0 HG SER A 611 -14.329 -28.673 13.634 1.00 45.02 H new ATOM 1085 N CYS A 612 -11.491 -26.565 14.263 1.00 3.42 N ATOM 1086 CA CYS A 612 -11.496 -25.321 15.015 1.00 22.33 C ATOM 1087 C CYS A 612 -12.615 -25.394 16.056 1.00 54.45 C ATOM 1088 O CYS A 612 -13.786 -25.535 15.704 1.00 3.22 O ATOM 1089 CB CYS A 612 -11.647 -24.106 14.098 1.00 24.01 C ATOM 1090 SG CYS A 612 -11.334 -22.493 14.904 1.00 50.02 S ATOM 0 H CYS A 612 -11.747 -26.470 13.280 1.00 3.42 H new ATOM 0 HA CYS A 612 -10.539 -25.195 15.520 1.00 22.33 H new ATOM 0 HB2 CYS A 612 -10.962 -24.215 13.257 1.00 24.01 H new ATOM 0 HB3 CYS A 612 -12.657 -24.101 13.688 1.00 24.01 H new ATOM 0 HG CYS A 612 -12.321 -21.685 14.655 1.00 50.02 H new ATOM 1095 N ARG A 613 -12.217 -25.294 17.315 1.00 2.31 N ATOM 1096 CA ARG A 613 -13.172 -25.346 18.409 1.00 70.03 C ATOM 1097 C ARG A 613 -13.981 -24.049 18.470 1.00 41.34 C ATOM 1098 O ARG A 613 -15.097 -24.032 18.987 1.00 25.43 O ATOM 1099 CB ARG A 613 -12.464 -25.561 19.748 1.00 35.11 C ATOM 1100 CG ARG A 613 -13.439 -25.393 20.916 1.00 63.40 C ATOM 1101 CD ARG A 613 -12.704 -25.459 22.257 1.00 51.35 C ATOM 1102 NE ARG A 613 -13.520 -26.199 23.245 1.00 65.20 N ATOM 1103 CZ ARG A 613 -14.592 -25.682 23.881 1.00 2.43 C ATOM 1104 NH1 ARG A 613 -14.987 -24.414 23.637 1.00 35.23 N ATOM 1105 NH2 ARG A 613 -15.247 -26.433 24.746 1.00 74.42 N ATOM 0 H ARG A 613 -11.245 -25.177 17.603 1.00 2.31 H new ATOM 0 HA ARG A 613 -13.841 -26.187 18.225 1.00 70.03 H new ATOM 0 HB2 ARG A 613 -12.026 -26.559 19.776 1.00 35.11 H new ATOM 0 HB3 ARG A 613 -11.644 -24.850 19.849 1.00 35.11 H new ATOM 0 HG2 ARG A 613 -13.957 -24.438 20.828 1.00 63.40 H new ATOM 0 HG3 ARG A 613 -14.199 -26.173 20.875 1.00 63.40 H new ATOM 0 HD2 ARG A 613 -11.739 -25.950 22.129 1.00 51.35 H new ATOM 0 HD3 ARG A 613 -12.503 -24.451 22.621 1.00 51.35 H new ATOM 0 HE ARG A 613 -13.255 -27.161 23.459 1.00 65.20 H new ATOM 0 HH11 ARG A 613 -14.474 -23.840 22.968 1.00 35.23 H new ATOM 0 HH12 ARG A 613 -15.798 -24.030 24.122 1.00 35.23 H new ATOM 0 HH21 ARG A 613 -14.941 -27.389 24.926 1.00 74.42 H new ATOM 0 HH22 ARG A 613 -16.059 -26.057 25.235 1.00 74.42 H new ATOM 1118 N ASN A 614 -13.387 -22.993 17.933 1.00 2.24 N ATOM 1119 CA ASN A 614 -14.038 -21.694 17.920 1.00 13.02 C ATOM 1120 C ASN A 614 -15.217 -21.729 16.945 1.00 22.22 C ATOM 1121 O ASN A 614 -16.222 -21.052 17.156 1.00 21.30 O ATOM 1122 CB ASN A 614 -13.075 -20.599 17.458 1.00 63.21 C ATOM 1123 CG ASN A 614 -12.006 -20.325 18.518 1.00 33.43 C ATOM 1124 OD1 ASN A 614 -12.247 -20.399 19.712 1.00 4.12 O ATOM 1125 ND2 ASN A 614 -10.816 -20.006 18.017 1.00 34.34 N ATOM 0 H ASN A 614 -12.462 -23.011 17.504 1.00 2.24 H new ATOM 0 HA ASN A 614 -14.373 -21.475 18.934 1.00 13.02 H new ATOM 0 HB2 ASN A 614 -12.598 -20.899 16.525 1.00 63.21 H new ATOM 0 HB3 ASN A 614 -13.631 -19.684 17.252 1.00 63.21 H new ATOM 0 HD21 ASN A 614 -10.036 -19.805 18.643 1.00 34.34 H new ATOM 0 HD22 ASN A 614 -10.683 -19.962 17.007 1.00 34.34 H new ATOM 1132 N CYS A 615 -15.054 -22.525 15.899 1.00 71.43 N ATOM 1133 CA CYS A 615 -16.092 -22.658 14.891 1.00 51.35 C ATOM 1134 C CYS A 615 -16.356 -24.148 14.666 1.00 51.13 C ATOM 1135 O CYS A 615 -17.377 -24.674 15.105 1.00 74.11 O ATOM 1136 CB CYS A 615 -15.714 -21.943 13.592 1.00 44.22 C ATOM 1137 SG CYS A 615 -14.635 -20.480 13.807 1.00 33.12 S ATOM 0 H CYS A 615 -14.219 -23.085 15.727 1.00 71.43 H new ATOM 0 HA CYS A 615 -17.005 -22.177 15.241 1.00 51.35 H new ATOM 0 HB2 CYS A 615 -15.212 -22.654 12.935 1.00 44.22 H new ATOM 0 HB3 CYS A 615 -16.628 -21.632 13.086 1.00 44.22 H new ATOM 0 HG CYS A 615 -13.923 -20.621 14.886 1.00 33.12 H new ATOM 1142 N GLY A 616 -15.418 -24.786 13.982 1.00 43.12 N ATOM 1143 CA GLY A 616 -15.536 -26.205 13.693 1.00 31.14 C ATOM 1144 C GLY A 616 -14.788 -26.568 12.409 1.00 3.12 C ATOM 1145 O GLY A 616 -14.441 -27.729 12.195 1.00 1.54 O ATOM 0 H GLY A 616 -14.572 -24.346 13.619 1.00 43.12 H new ATOM 0 HA2 GLY A 616 -15.137 -26.784 14.526 1.00 31.14 H new ATOM 0 HA3 GLY A 616 -16.588 -26.473 13.593 1.00 31.14 H new ATOM 1149 N GLU A 617 -14.561 -25.554 11.588 1.00 41.53 N ATOM 1150 CA GLU A 617 -13.860 -25.751 10.330 1.00 20.12 C ATOM 1151 C GLU A 617 -12.660 -26.679 10.531 1.00 33.14 C ATOM 1152 O GLU A 617 -11.692 -26.312 11.195 1.00 22.41 O ATOM 1153 CB GLU A 617 -13.424 -24.413 9.730 1.00 64.33 C ATOM 1154 CG GLU A 617 -12.849 -24.604 8.324 1.00 33.45 C ATOM 1155 CD GLU A 617 -13.966 -24.671 7.280 1.00 24.33 C ATOM 1156 OE1 GLU A 617 -14.535 -25.748 7.050 1.00 35.21 O ATOM 1157 OE2 GLU A 617 -14.236 -23.552 6.699 1.00 51.10 O ATOM 0 H GLU A 617 -14.850 -24.593 11.769 1.00 41.53 H new ATOM 0 HA GLU A 617 -14.545 -26.222 9.625 1.00 20.12 H new ATOM 0 HB2 GLU A 617 -14.276 -23.734 9.689 1.00 64.33 H new ATOM 0 HB3 GLU A 617 -12.676 -23.949 10.373 1.00 64.33 H new ATOM 0 HG2 GLU A 617 -12.174 -23.781 8.088 1.00 33.45 H new ATOM 0 HG3 GLU A 617 -12.259 -25.520 8.290 1.00 33.45 H new ATOM 1165 N VAL A 618 -12.764 -27.863 9.946 1.00 21.20 N ATOM 1166 CA VAL A 618 -11.699 -28.846 10.053 1.00 74.53 C ATOM 1167 C VAL A 618 -10.363 -28.184 9.710 1.00 32.44 C ATOM 1168 O VAL A 618 -10.293 -27.348 8.811 1.00 71.31 O ATOM 1169 CB VAL A 618 -12.012 -30.054 9.167 1.00 32.42 C ATOM 1170 CG1 VAL A 618 -10.732 -30.800 8.784 1.00 11.35 C ATOM 1171 CG2 VAL A 618 -13.009 -30.992 9.851 1.00 31.12 C ATOM 0 H VAL A 618 -13.569 -28.164 9.397 1.00 21.20 H new ATOM 0 HA VAL A 618 -11.624 -29.219 11.075 1.00 74.53 H new ATOM 0 HB VAL A 618 -12.472 -29.686 8.250 1.00 32.42 H new ATOM 0 HG11 VAL A 618 -10.983 -31.654 8.155 1.00 11.35 H new ATOM 0 HG12 VAL A 618 -10.069 -30.129 8.238 1.00 11.35 H new ATOM 0 HG13 VAL A 618 -10.231 -31.150 9.687 1.00 11.35 H new ATOM 0 HG21 VAL A 618 -13.214 -31.842 9.200 1.00 31.12 H new ATOM 0 HG22 VAL A 618 -12.588 -31.348 10.791 1.00 31.12 H new ATOM 0 HG23 VAL A 618 -13.936 -30.455 10.050 1.00 31.12 H new ATOM 1181 N TRP A 619 -9.336 -28.583 10.446 1.00 31.21 N ATOM 1182 CA TRP A 619 -8.006 -28.039 10.232 1.00 41.13 C ATOM 1183 C TRP A 619 -7.160 -29.113 9.545 1.00 75.41 C ATOM 1184 O TRP A 619 -6.261 -28.798 8.768 1.00 5.31 O ATOM 1185 CB TRP A 619 -7.396 -27.548 11.546 1.00 31.02 C ATOM 1186 CG TRP A 619 -7.924 -26.188 12.008 1.00 74.32 C ATOM 1187 CD1 TRP A 619 -8.734 -25.350 11.346 1.00 3.23 C ATOM 1188 CD2 TRP A 619 -7.646 -25.540 13.267 1.00 44.24 C ATOM 1189 NE1 TRP A 619 -8.996 -24.213 12.083 1.00 1.15 N ATOM 1190 CE2 TRP A 619 -8.313 -24.332 13.288 1.00 32.44 C ATOM 1191 CE3 TRP A 619 -6.856 -25.960 14.351 1.00 5.11 C ATOM 1192 CZ2 TRP A 619 -8.259 -23.446 14.370 1.00 3.44 C ATOM 1193 CZ3 TRP A 619 -6.811 -25.062 15.425 1.00 73.43 C ATOM 1194 CH2 TRP A 619 -7.477 -23.843 15.462 1.00 34.01 C ATOM 0 H TRP A 619 -9.398 -29.277 11.191 1.00 31.21 H new ATOM 0 HA TRP A 619 -8.048 -27.163 9.585 1.00 41.13 H new ATOM 0 HB2 TRP A 619 -7.593 -28.286 12.324 1.00 31.02 H new ATOM 0 HB3 TRP A 619 -6.314 -27.486 11.431 1.00 31.02 H new ATOM 0 HD1 TRP A 619 -9.132 -25.541 10.360 1.00 3.23 H new ATOM 0 HE1 TRP A 619 -9.583 -23.429 11.796 1.00 1.15 H new ATOM 0 HE3 TRP A 619 -6.326 -26.901 14.355 1.00 5.11 H new ATOM 0 HZ2 TRP A 619 -8.792 -22.507 14.363 1.00 3.44 H new ATOM 0 HZ3 TRP A 619 -6.217 -25.336 16.284 1.00 73.43 H new ATOM 0 HH2 TRP A 619 -7.392 -23.205 16.329 1.00 34.01 H new ATOM 1205 N GLY A 620 -7.480 -30.361 9.856 1.00 2.02 N ATOM 1206 CA GLY A 620 -6.761 -31.484 9.279 1.00 41.12 C ATOM 1207 C GLY A 620 -6.756 -32.680 10.232 1.00 24.44 C ATOM 1208 O GLY A 620 -7.812 -33.206 10.580 1.00 22.14 O ATOM 0 H GLY A 620 -8.228 -30.619 10.500 1.00 2.02 H new ATOM 0 HA2 GLY A 620 -7.223 -31.769 8.334 1.00 41.12 H new ATOM 0 HA3 GLY A 620 -5.736 -31.188 9.056 1.00 41.12 H new ATOM 1212 N LEU A 621 -5.555 -33.076 10.628 1.00 45.11 N ATOM 1213 CA LEU A 621 -5.398 -34.201 11.534 1.00 2.45 C ATOM 1214 C LEU A 621 -4.193 -33.953 12.444 1.00 1.32 C ATOM 1215 O LEU A 621 -3.347 -33.111 12.145 1.00 14.10 O ATOM 1216 CB LEU A 621 -5.318 -35.513 10.752 1.00 43.35 C ATOM 1217 CG LEU A 621 -3.917 -35.953 10.321 1.00 2.53 C ATOM 1218 CD1 LEU A 621 -3.173 -34.810 9.627 1.00 25.31 C ATOM 1219 CD2 LEU A 621 -3.129 -36.512 11.508 1.00 73.22 C ATOM 0 H LEU A 621 -4.681 -32.637 10.338 1.00 45.11 H new ATOM 0 HA LEU A 621 -6.272 -34.295 12.179 1.00 2.45 H new ATOM 0 HB2 LEU A 621 -5.754 -36.304 11.362 1.00 43.35 H new ATOM 0 HB3 LEU A 621 -5.938 -35.420 9.861 1.00 43.35 H new ATOM 0 HG LEU A 621 -4.020 -36.759 9.594 1.00 2.53 H new ATOM 0 HD11 LEU A 621 -2.180 -35.149 9.331 1.00 25.31 H new ATOM 0 HD12 LEU A 621 -3.729 -34.498 8.743 1.00 25.31 H new ATOM 0 HD13 LEU A 621 -3.079 -33.968 10.312 1.00 25.31 H new ATOM 0 HD21 LEU A 621 -2.137 -36.817 11.175 1.00 73.22 H new ATOM 0 HD22 LEU A 621 -3.033 -35.744 12.275 1.00 73.22 H new ATOM 0 HD23 LEU A 621 -3.654 -37.373 11.920 1.00 73.22 H new ATOM 1231 N GLN A 622 -4.153 -34.701 13.537 1.00 62.23 N ATOM 1232 CA GLN A 622 -3.065 -34.573 14.492 1.00 35.30 C ATOM 1233 C GLN A 622 -1.991 -35.628 14.218 1.00 51.52 C ATOM 1234 O GLN A 622 -2.305 -36.797 14.002 1.00 61.11 O ATOM 1235 CB GLN A 622 -3.582 -34.678 15.928 1.00 13.02 C ATOM 1236 CG GLN A 622 -2.866 -33.682 16.843 1.00 53.03 C ATOM 1237 CD GLN A 622 -2.697 -34.255 18.251 1.00 1.23 C ATOM 1238 OE1 GLN A 622 -1.717 -34.908 18.570 1.00 71.42 O ATOM 1239 NE2 GLN A 622 -3.703 -33.974 19.074 1.00 13.12 N ATOM 0 H GLN A 622 -4.856 -35.398 13.783 1.00 62.23 H new ATOM 0 HA GLN A 622 -2.617 -33.587 14.373 1.00 35.30 H new ATOM 0 HB2 GLN A 622 -4.655 -34.488 15.947 1.00 13.02 H new ATOM 0 HB3 GLN A 622 -3.431 -35.692 16.299 1.00 13.02 H new ATOM 0 HG2 GLN A 622 -1.889 -33.437 16.426 1.00 53.03 H new ATOM 0 HG3 GLN A 622 -3.434 -32.753 16.890 1.00 53.03 H new ATOM 0 HE21 GLN A 622 -4.494 -33.422 18.743 1.00 13.12 H new ATOM 0 HE22 GLN A 622 -3.684 -34.311 20.037 1.00 13.12 H new ATOM 1248 N MET A 623 -0.746 -35.176 14.235 1.00 2.42 N ATOM 1249 CA MET A 623 0.377 -36.065 13.991 1.00 33.41 C ATOM 1250 C MET A 623 1.269 -36.175 15.229 1.00 32.33 C ATOM 1251 O MET A 623 1.362 -35.235 16.017 1.00 32.31 O ATOM 1252 CB MET A 623 1.200 -35.538 12.814 1.00 73.20 C ATOM 1253 CG MET A 623 0.332 -35.384 11.564 1.00 55.34 C ATOM 1254 SD MET A 623 -0.123 -36.991 10.934 1.00 40.24 S ATOM 1255 CE MET A 623 0.135 -36.724 9.188 1.00 52.43 C ATOM 0 H MET A 623 -0.490 -34.205 14.414 1.00 2.42 H new ATOM 0 HA MET A 623 -0.013 -37.056 13.758 1.00 33.41 H new ATOM 0 HB2 MET A 623 1.641 -34.576 13.076 1.00 73.20 H new ATOM 0 HB3 MET A 623 2.024 -36.221 12.607 1.00 73.20 H new ATOM 0 HG2 MET A 623 -0.564 -34.811 11.802 1.00 55.34 H new ATOM 0 HG3 MET A 623 0.875 -34.826 10.801 1.00 55.34 H new ATOM 0 HE1 MET A 623 -0.783 -36.950 8.646 1.00 52.43 H new ATOM 0 HE2 MET A 623 0.411 -35.684 9.016 1.00 52.43 H new ATOM 0 HE3 MET A 623 0.935 -37.375 8.835 1.00 52.43 H new ATOM 1265 N ILE A 624 1.902 -37.331 15.362 1.00 22.43 N ATOM 1266 CA ILE A 624 2.784 -37.576 16.491 1.00 35.33 C ATOM 1267 C ILE A 624 4.198 -37.852 15.978 1.00 42.11 C ATOM 1268 O ILE A 624 4.419 -38.811 15.239 1.00 14.53 O ATOM 1269 CB ILE A 624 2.223 -38.691 17.377 1.00 53.21 C ATOM 1270 CG1 ILE A 624 0.819 -38.341 17.875 1.00 72.21 C ATOM 1271 CG2 ILE A 624 3.177 -39.008 18.530 1.00 44.13 C ATOM 1272 CD1 ILE A 624 -0.195 -38.379 16.729 1.00 4.12 C ATOM 0 H ILE A 624 1.822 -38.109 14.707 1.00 22.43 H new ATOM 0 HA ILE A 624 2.842 -36.693 17.127 1.00 35.33 H new ATOM 0 HB ILE A 624 2.135 -39.595 16.774 1.00 53.21 H new ATOM 0 HG12 ILE A 624 0.520 -39.043 18.653 1.00 72.21 H new ATOM 0 HG13 ILE A 624 0.826 -37.349 18.326 1.00 72.21 H new ATOM 0 HG21 ILE A 624 2.754 -39.803 19.144 1.00 44.13 H new ATOM 0 HG22 ILE A 624 4.138 -39.331 18.129 1.00 44.13 H new ATOM 0 HG23 ILE A 624 3.320 -38.116 19.140 1.00 44.13 H new ATOM 0 HD11 ILE A 624 -1.184 -38.127 17.110 1.00 4.12 H new ATOM 0 HD12 ILE A 624 0.094 -37.659 15.964 1.00 4.12 H new ATOM 0 HD13 ILE A 624 -0.217 -39.379 16.296 1.00 4.12 H new ATOM 1284 N TYR A 625 5.120 -36.994 16.390 1.00 63.24 N ATOM 1285 CA TYR A 625 6.508 -37.133 15.981 1.00 74.24 C ATOM 1286 C TYR A 625 7.431 -37.226 17.197 1.00 62.31 C ATOM 1287 O TYR A 625 7.600 -36.252 17.929 1.00 72.22 O ATOM 1288 CB TYR A 625 6.845 -35.864 15.195 1.00 31.40 C ATOM 1289 CG TYR A 625 8.333 -35.509 15.196 1.00 70.11 C ATOM 1290 CD1 TYR A 625 9.282 -36.511 15.186 1.00 33.21 C ATOM 1291 CD2 TYR A 625 8.727 -34.186 15.206 1.00 34.24 C ATOM 1292 CE1 TYR A 625 10.682 -36.177 15.187 1.00 43.21 C ATOM 1293 CE2 TYR A 625 10.127 -33.852 15.207 1.00 2.23 C ATOM 1294 CZ TYR A 625 11.036 -34.864 15.197 1.00 10.45 C ATOM 1295 OH TYR A 625 12.359 -34.548 15.198 1.00 12.32 O ATOM 0 H TYR A 625 4.933 -36.200 17.003 1.00 63.24 H new ATOM 0 HA TYR A 625 6.645 -38.039 15.391 1.00 74.24 H new ATOM 0 HB2 TYR A 625 6.512 -35.988 14.164 1.00 31.40 H new ATOM 0 HB3 TYR A 625 6.282 -35.029 15.613 1.00 31.40 H new ATOM 0 HD1 TYR A 625 8.974 -37.546 15.177 1.00 33.21 H new ATOM 0 HD2 TYR A 625 7.985 -33.402 15.213 1.00 34.24 H new ATOM 0 HE1 TYR A 625 11.434 -36.952 15.180 1.00 43.21 H new ATOM 0 HE2 TYR A 625 10.449 -32.821 15.215 1.00 2.23 H new ATOM 0 HH TYR A 625 12.463 -33.574 15.205 1.00 12.32 H new ATOM 1305 N LYS A 626 8.005 -38.407 17.375 1.00 21.11 N ATOM 1306 CA LYS A 626 8.907 -38.640 18.490 1.00 23.11 C ATOM 1307 C LYS A 626 8.147 -38.447 19.804 1.00 25.50 C ATOM 1308 O LYS A 626 8.754 -38.210 20.847 1.00 5.11 O ATOM 1309 CB LYS A 626 10.152 -37.760 18.365 1.00 43.31 C ATOM 1310 CG LYS A 626 11.300 -38.524 17.702 1.00 20.20 C ATOM 1311 CD LYS A 626 11.615 -39.812 18.466 1.00 13.23 C ATOM 1312 CE LYS A 626 11.402 -39.623 19.970 1.00 75.14 C ATOM 1313 NZ LYS A 626 12.037 -40.726 20.726 1.00 55.35 N ATOM 0 H LYS A 626 7.863 -39.213 16.766 1.00 21.11 H new ATOM 0 HA LYS A 626 9.269 -39.668 18.479 1.00 23.11 H new ATOM 0 HB2 LYS A 626 9.916 -36.871 17.780 1.00 43.31 H new ATOM 0 HB3 LYS A 626 10.461 -37.418 19.353 1.00 43.31 H new ATOM 0 HG2 LYS A 626 11.035 -38.763 16.672 1.00 20.20 H new ATOM 0 HG3 LYS A 626 12.188 -37.893 17.664 1.00 20.20 H new ATOM 0 HD2 LYS A 626 10.978 -40.619 18.103 1.00 13.23 H new ATOM 0 HD3 LYS A 626 12.646 -40.109 18.276 1.00 13.23 H new ATOM 0 HE2 LYS A 626 11.823 -38.668 20.286 1.00 75.14 H new ATOM 0 HE3 LYS A 626 10.335 -39.590 20.191 1.00 75.14 H new ATOM 0 HZ1 LYS A 626 11.883 -40.582 21.744 1.00 55.35 H new ATOM 0 HZ2 LYS A 626 11.617 -41.632 20.437 1.00 55.35 H new ATOM 0 HZ3 LYS A 626 13.058 -40.739 20.529 1.00 55.35 H new ATOM 1326 N SER A 627 6.830 -38.557 19.710 1.00 24.15 N ATOM 1327 CA SER A 627 5.981 -38.398 20.879 1.00 63.01 C ATOM 1328 C SER A 627 5.671 -36.917 21.102 1.00 2.45 C ATOM 1329 O SER A 627 5.685 -36.440 22.236 1.00 32.04 O ATOM 1330 CB SER A 627 6.640 -38.996 22.124 1.00 74.34 C ATOM 1331 OG SER A 627 7.431 -38.039 22.821 1.00 2.55 O ATOM 0 H SER A 627 6.330 -38.754 18.843 1.00 24.15 H new ATOM 0 HA SER A 627 5.049 -38.935 20.701 1.00 63.01 H new ATOM 0 HB2 SER A 627 5.870 -39.384 22.791 1.00 74.34 H new ATOM 0 HB3 SER A 627 7.265 -39.840 21.833 1.00 74.34 H new ATOM 0 HG SER A 627 8.050 -37.608 22.195 1.00 2.55 H new ATOM 1337 N VAL A 628 5.399 -36.229 20.003 1.00 72.41 N ATOM 1338 CA VAL A 628 5.086 -34.812 20.065 1.00 52.24 C ATOM 1339 C VAL A 628 3.773 -34.551 19.322 1.00 25.05 C ATOM 1340 O VAL A 628 3.728 -34.611 18.095 1.00 40.13 O ATOM 1341 CB VAL A 628 6.256 -33.993 19.516 1.00 70.15 C ATOM 1342 CG1 VAL A 628 5.864 -32.524 19.343 1.00 23.32 C ATOM 1343 CG2 VAL A 628 7.489 -34.131 20.411 1.00 50.51 C ATOM 0 H VAL A 628 5.389 -36.627 19.064 1.00 72.41 H new ATOM 0 HA VAL A 628 4.943 -34.497 21.099 1.00 52.24 H new ATOM 0 HB VAL A 628 6.510 -34.389 18.533 1.00 70.15 H new ATOM 0 HG11 VAL A 628 6.714 -31.964 18.952 1.00 23.32 H new ATOM 0 HG12 VAL A 628 5.029 -32.450 18.647 1.00 23.32 H new ATOM 0 HG13 VAL A 628 5.570 -32.110 20.307 1.00 23.32 H new ATOM 0 HG21 VAL A 628 8.306 -33.539 19.998 1.00 50.51 H new ATOM 0 HG22 VAL A 628 7.253 -33.774 21.413 1.00 50.51 H new ATOM 0 HG23 VAL A 628 7.788 -35.178 20.460 1.00 50.51 H new ATOM 1353 N LYS A 629 2.738 -34.267 20.099 1.00 61.12 N ATOM 1354 CA LYS A 629 1.428 -33.997 19.530 1.00 4.05 C ATOM 1355 C LYS A 629 1.484 -32.695 18.728 1.00 31.34 C ATOM 1356 O LYS A 629 1.411 -31.607 19.298 1.00 73.42 O ATOM 1357 CB LYS A 629 0.359 -34.000 20.624 1.00 34.13 C ATOM 1358 CG LYS A 629 0.391 -35.307 21.419 1.00 20.12 C ATOM 1359 CD LYS A 629 -0.415 -36.399 20.713 1.00 52.34 C ATOM 1360 CE LYS A 629 -1.900 -36.302 21.070 1.00 43.23 C ATOM 1361 NZ LYS A 629 -2.195 -37.101 22.280 1.00 61.12 N ATOM 0 H LYS A 629 2.780 -34.218 21.117 1.00 61.12 H new ATOM 0 HA LYS A 629 1.143 -34.787 18.836 1.00 4.05 H new ATOM 0 HB2 LYS A 629 0.519 -33.157 21.296 1.00 34.13 H new ATOM 0 HB3 LYS A 629 -0.626 -33.867 20.176 1.00 34.13 H new ATOM 0 HG2 LYS A 629 1.423 -35.635 21.544 1.00 20.12 H new ATOM 0 HG3 LYS A 629 -0.014 -35.139 22.417 1.00 20.12 H new ATOM 0 HD2 LYS A 629 -0.290 -36.308 19.634 1.00 52.34 H new ATOM 0 HD3 LYS A 629 -0.032 -37.379 20.997 1.00 52.34 H new ATOM 0 HE2 LYS A 629 -2.172 -35.260 21.240 1.00 43.23 H new ATOM 0 HE3 LYS A 629 -2.505 -36.658 20.236 1.00 43.23 H new ATOM 0 HZ1 LYS A 629 -3.207 -37.024 22.508 1.00 61.12 H new ATOM 0 HZ2 LYS A 629 -1.954 -38.097 22.105 1.00 61.12 H new ATOM 0 HZ3 LYS A 629 -1.632 -36.743 23.078 1.00 61.12 H new ATOM 1374 N LEU A 630 1.613 -32.850 17.419 1.00 51.42 N ATOM 1375 CA LEU A 630 1.679 -31.700 16.533 1.00 42.13 C ATOM 1376 C LEU A 630 0.500 -31.743 15.559 1.00 72.40 C ATOM 1377 O LEU A 630 0.427 -32.626 14.705 1.00 44.50 O ATOM 1378 CB LEU A 630 3.044 -31.633 15.843 1.00 15.45 C ATOM 1379 CG LEU A 630 4.264 -31.767 16.757 1.00 53.32 C ATOM 1380 CD1 LEU A 630 5.443 -32.392 16.009 1.00 75.14 C ATOM 1381 CD2 LEU A 630 4.631 -30.420 17.382 1.00 3.41 C ATOM 0 H LEU A 630 1.674 -33.754 16.950 1.00 51.42 H new ATOM 0 HA LEU A 630 1.589 -30.775 17.103 1.00 42.13 H new ATOM 0 HB2 LEU A 630 3.089 -32.422 15.092 1.00 15.45 H new ATOM 0 HB3 LEU A 630 3.115 -30.684 15.312 1.00 15.45 H new ATOM 0 HG LEU A 630 4.007 -32.441 17.574 1.00 53.32 H new ATOM 0 HD11 LEU A 630 6.297 -32.476 16.681 1.00 75.14 H new ATOM 0 HD12 LEU A 630 5.163 -33.383 15.652 1.00 75.14 H new ATOM 0 HD13 LEU A 630 5.710 -31.763 15.160 1.00 75.14 H new ATOM 0 HD21 LEU A 630 5.501 -30.543 18.027 1.00 3.41 H new ATOM 0 HD22 LEU A 630 4.862 -29.704 16.593 1.00 3.41 H new ATOM 0 HD23 LEU A 630 3.792 -30.052 17.972 1.00 3.41 H new ATOM 1393 N PRO A 631 -0.419 -30.754 15.724 1.00 22.24 N ATOM 1394 CA PRO A 631 -1.591 -30.671 14.870 1.00 33.33 C ATOM 1395 C PRO A 631 -1.222 -30.144 13.482 1.00 14.12 C ATOM 1396 O PRO A 631 -0.315 -29.325 13.346 1.00 11.54 O ATOM 1397 CB PRO A 631 -2.556 -29.762 15.614 1.00 72.31 C ATOM 1398 CG PRO A 631 -1.716 -29.001 16.626 1.00 44.21 C ATOM 1399 CD PRO A 631 -0.366 -29.693 16.725 1.00 2.52 C ATOM 0 HA PRO A 631 -2.045 -31.644 14.683 1.00 33.33 H new ATOM 0 HB2 PRO A 631 -3.056 -29.078 14.928 1.00 72.31 H new ATOM 0 HB3 PRO A 631 -3.335 -30.341 16.110 1.00 72.31 H new ATOM 0 HG2 PRO A 631 -1.591 -27.964 16.316 1.00 44.21 H new ATOM 0 HG3 PRO A 631 -2.210 -28.986 17.598 1.00 44.21 H new ATOM 0 HD2 PRO A 631 0.450 -28.999 16.524 1.00 2.52 H new ATOM 0 HD3 PRO A 631 -0.201 -30.098 17.723 1.00 2.52 H new ATOM 1407 N VAL A 632 -1.945 -30.635 12.486 1.00 21.53 N ATOM 1408 CA VAL A 632 -1.705 -30.224 11.114 1.00 51.14 C ATOM 1409 C VAL A 632 -2.898 -29.406 10.615 1.00 10.22 C ATOM 1410 O VAL A 632 -3.992 -29.940 10.442 1.00 54.24 O ATOM 1411 CB VAL A 632 -1.415 -31.448 10.243 1.00 25.43 C ATOM 1412 CG1 VAL A 632 -1.527 -31.104 8.757 1.00 42.31 C ATOM 1413 CG2 VAL A 632 -0.040 -32.038 10.567 1.00 12.43 C ATOM 0 H VAL A 632 -2.697 -31.314 12.602 1.00 21.53 H new ATOM 0 HA VAL A 632 -0.824 -29.585 11.056 1.00 51.14 H new ATOM 0 HB VAL A 632 -2.167 -32.205 10.469 1.00 25.43 H new ATOM 0 HG11 VAL A 632 -1.316 -31.992 8.161 1.00 42.31 H new ATOM 0 HG12 VAL A 632 -2.536 -30.753 8.540 1.00 42.31 H new ATOM 0 HG13 VAL A 632 -0.809 -30.322 8.509 1.00 42.31 H new ATOM 0 HG21 VAL A 632 0.141 -32.907 9.934 1.00 12.43 H new ATOM 0 HG22 VAL A 632 0.730 -31.288 10.384 1.00 12.43 H new ATOM 0 HG23 VAL A 632 -0.011 -32.339 11.614 1.00 12.43 H new ATOM 1423 N LEU A 633 -2.646 -28.123 10.399 1.00 32.10 N ATOM 1424 CA LEU A 633 -3.686 -27.226 9.924 1.00 2.01 C ATOM 1425 C LEU A 633 -3.354 -26.776 8.500 1.00 44.10 C ATOM 1426 O LEU A 633 -2.265 -27.049 7.997 1.00 3.41 O ATOM 1427 CB LEU A 633 -3.884 -26.068 10.905 1.00 64.24 C ATOM 1428 CG LEU A 633 -3.611 -26.382 12.377 1.00 65.11 C ATOM 1429 CD1 LEU A 633 -3.950 -27.839 12.699 1.00 41.30 C ATOM 1430 CD2 LEU A 633 -2.170 -26.032 12.754 1.00 25.40 C ATOM 0 H LEU A 633 -1.737 -27.684 10.544 1.00 32.10 H new ATOM 0 HA LEU A 633 -4.644 -27.743 9.880 1.00 2.01 H new ATOM 0 HB2 LEU A 633 -3.234 -25.247 10.603 1.00 64.24 H new ATOM 0 HB3 LEU A 633 -4.910 -25.712 10.814 1.00 64.24 H new ATOM 0 HG LEU A 633 -4.264 -25.757 12.986 1.00 65.11 H new ATOM 0 HD11 LEU A 633 -3.747 -28.036 13.752 1.00 41.30 H new ATOM 0 HD12 LEU A 633 -5.005 -28.021 12.493 1.00 41.30 H new ATOM 0 HD13 LEU A 633 -3.340 -28.499 12.082 1.00 41.30 H new ATOM 0 HD21 LEU A 633 -2.002 -26.265 13.806 1.00 25.40 H new ATOM 0 HD22 LEU A 633 -1.482 -26.613 12.140 1.00 25.40 H new ATOM 0 HD23 LEU A 633 -1.998 -24.969 12.586 1.00 25.40 H new ATOM 1442 N LYS A 634 -4.312 -26.094 7.890 1.00 32.22 N ATOM 1443 CA LYS A 634 -4.135 -25.604 6.534 1.00 51.30 C ATOM 1444 C LYS A 634 -4.120 -24.074 6.547 1.00 2.15 C ATOM 1445 O LYS A 634 -4.259 -23.457 7.603 1.00 71.43 O ATOM 1446 CB LYS A 634 -5.195 -26.200 5.606 1.00 72.01 C ATOM 1447 CG LYS A 634 -6.437 -26.624 6.393 1.00 52.42 C ATOM 1448 CD LYS A 634 -7.404 -27.413 5.508 1.00 51.21 C ATOM 1449 CE LYS A 634 -8.467 -26.494 4.902 1.00 31.10 C ATOM 1450 NZ LYS A 634 -9.819 -26.903 5.344 1.00 21.51 N ATOM 0 H LYS A 634 -5.214 -25.869 8.310 1.00 32.22 H new ATOM 0 HA LYS A 634 -3.175 -25.930 6.134 1.00 51.30 H new ATOM 0 HB2 LYS A 634 -5.473 -25.468 4.848 1.00 72.01 H new ATOM 0 HB3 LYS A 634 -4.781 -27.061 5.081 1.00 72.01 H new ATOM 0 HG2 LYS A 634 -6.140 -27.233 7.247 1.00 52.42 H new ATOM 0 HG3 LYS A 634 -6.939 -25.742 6.790 1.00 52.42 H new ATOM 0 HD2 LYS A 634 -6.850 -27.910 4.711 1.00 51.21 H new ATOM 0 HD3 LYS A 634 -7.886 -28.194 6.096 1.00 51.21 H new ATOM 0 HE2 LYS A 634 -8.277 -25.463 5.200 1.00 31.10 H new ATOM 0 HE3 LYS A 634 -8.408 -26.528 3.814 1.00 31.10 H new ATOM 0 HZ1 LYS A 634 -10.528 -26.269 4.924 1.00 21.51 H new ATOM 0 HZ2 LYS A 634 -10.003 -27.880 5.038 1.00 21.51 H new ATOM 0 HZ3 LYS A 634 -9.877 -26.848 6.381 1.00 21.51 H new ATOM 1463 N VAL A 635 -3.949 -23.505 5.363 1.00 34.20 N ATOM 1464 CA VAL A 635 -3.914 -22.059 5.225 1.00 31.13 C ATOM 1465 C VAL A 635 -5.317 -21.549 4.889 1.00 2.20 C ATOM 1466 O VAL A 635 -5.760 -20.538 5.432 1.00 32.10 O ATOM 1467 CB VAL A 635 -2.867 -21.658 4.185 1.00 44.13 C ATOM 1468 CG1 VAL A 635 -3.206 -22.241 2.812 1.00 72.52 C ATOM 1469 CG2 VAL A 635 -2.720 -20.137 4.113 1.00 43.30 C ATOM 0 H VAL A 635 -3.833 -24.019 4.490 1.00 34.20 H new ATOM 0 HA VAL A 635 -3.615 -21.593 6.164 1.00 31.13 H new ATOM 0 HB VAL A 635 -1.909 -22.073 4.498 1.00 44.13 H new ATOM 0 HG11 VAL A 635 -2.446 -21.941 2.091 1.00 72.52 H new ATOM 0 HG12 VAL A 635 -3.236 -23.329 2.876 1.00 72.52 H new ATOM 0 HG13 VAL A 635 -4.179 -21.870 2.489 1.00 72.52 H new ATOM 0 HG21 VAL A 635 -1.969 -19.879 3.366 1.00 43.30 H new ATOM 0 HG22 VAL A 635 -3.676 -19.692 3.836 1.00 43.30 H new ATOM 0 HG23 VAL A 635 -2.410 -19.755 5.086 1.00 43.30 H new ATOM 1479 N ARG A 636 -5.976 -22.271 3.995 1.00 31.33 N ATOM 1480 CA ARG A 636 -7.319 -21.904 3.580 1.00 34.32 C ATOM 1481 C ARG A 636 -8.259 -21.875 4.788 1.00 44.23 C ATOM 1482 O ARG A 636 -9.354 -21.321 4.713 1.00 53.22 O ATOM 1483 CB ARG A 636 -7.864 -22.889 2.543 1.00 3.04 C ATOM 1484 CG ARG A 636 -7.817 -24.324 3.073 1.00 52.24 C ATOM 1485 CD ARG A 636 -7.416 -25.303 1.967 1.00 34.14 C ATOM 1486 NE ARG A 636 -8.626 -25.887 1.346 1.00 62.23 N ATOM 1487 CZ ARG A 636 -8.658 -26.419 0.105 1.00 4.51 C ATOM 1488 NH1 ARG A 636 -7.544 -26.444 -0.658 1.00 54.22 N ATOM 1489 NH2 ARG A 636 -9.794 -26.913 -0.351 1.00 4.15 N ATOM 0 H ARG A 636 -5.605 -23.108 3.546 1.00 31.33 H new ATOM 0 HA ARG A 636 -7.267 -20.912 3.131 1.00 34.32 H new ATOM 0 HB2 ARG A 636 -8.891 -22.625 2.289 1.00 3.04 H new ATOM 0 HB3 ARG A 636 -7.280 -22.817 1.625 1.00 3.04 H new ATOM 0 HG2 ARG A 636 -7.106 -24.388 3.896 1.00 52.24 H new ATOM 0 HG3 ARG A 636 -8.793 -24.600 3.472 1.00 52.24 H new ATOM 0 HD2 ARG A 636 -6.822 -24.788 1.212 1.00 34.14 H new ATOM 0 HD3 ARG A 636 -6.791 -26.095 2.380 1.00 34.14 H new ATOM 0 HE ARG A 636 -9.489 -25.888 1.889 1.00 62.23 H new ATOM 0 HH11 ARG A 636 -6.671 -26.059 -0.298 1.00 54.22 H new ATOM 0 HH12 ARG A 636 -7.576 -26.847 -1.594 1.00 54.22 H new ATOM 0 HH21 ARG A 636 -10.631 -26.889 0.232 1.00 4.15 H new ATOM 0 HH22 ARG A 636 -9.835 -27.318 -1.286 1.00 4.15 H new ATOM 1502 N SER A 637 -7.795 -22.478 5.873 1.00 52.25 N ATOM 1503 CA SER A 637 -8.580 -22.528 7.094 1.00 12.53 C ATOM 1504 C SER A 637 -7.994 -21.568 8.132 1.00 32.11 C ATOM 1505 O SER A 637 -8.649 -21.243 9.122 1.00 63.24 O ATOM 1506 CB SER A 637 -8.634 -23.949 7.657 1.00 72.33 C ATOM 1507 OG SER A 637 -9.501 -24.045 8.784 1.00 73.04 O ATOM 0 H SER A 637 -6.885 -22.936 5.931 1.00 52.25 H new ATOM 0 HA SER A 637 -9.599 -22.221 6.858 1.00 12.53 H new ATOM 0 HB2 SER A 637 -8.973 -24.634 6.880 1.00 72.33 H new ATOM 0 HB3 SER A 637 -7.631 -24.264 7.944 1.00 72.33 H new ATOM 0 HG SER A 637 -8.967 -24.089 9.605 1.00 73.04 H new ATOM 1513 N MET A 638 -6.767 -21.142 7.871 1.00 55.44 N ATOM 1514 CA MET A 638 -6.086 -20.226 8.770 1.00 41.24 C ATOM 1515 C MET A 638 -5.950 -18.838 8.140 1.00 71.25 C ATOM 1516 O MET A 638 -5.547 -18.714 6.984 1.00 11.10 O ATOM 1517 CB MET A 638 -4.697 -20.775 9.101 1.00 44.54 C ATOM 1518 CG MET A 638 -4.795 -22.017 9.988 1.00 70.45 C ATOM 1519 SD MET A 638 -5.343 -21.558 11.623 1.00 23.32 S ATOM 1520 CE MET A 638 -6.927 -22.380 11.661 1.00 10.45 C ATOM 0 H MET A 638 -6.227 -21.414 7.050 1.00 55.44 H new ATOM 0 HA MET A 638 -6.677 -20.134 9.681 1.00 41.24 H new ATOM 0 HB2 MET A 638 -4.171 -21.023 8.179 1.00 44.54 H new ATOM 0 HB3 MET A 638 -4.110 -20.008 9.607 1.00 44.54 H new ATOM 0 HG2 MET A 638 -5.491 -22.733 9.550 1.00 70.45 H new ATOM 0 HG3 MET A 638 -3.825 -22.510 10.046 1.00 70.45 H new ATOM 0 HE1 MET A 638 -7.622 -21.803 12.272 1.00 10.45 H new ATOM 0 HE2 MET A 638 -7.318 -22.463 10.647 1.00 10.45 H new ATOM 0 HE3 MET A 638 -6.810 -23.376 12.088 1.00 10.45 H new ATOM 1530 N LEU A 639 -6.294 -17.830 8.927 1.00 53.32 N ATOM 1531 CA LEU A 639 -6.216 -16.456 8.460 1.00 0.34 C ATOM 1532 C LEU A 639 -4.919 -15.823 8.968 1.00 10.53 C ATOM 1533 O LEU A 639 -4.417 -16.193 10.028 1.00 2.03 O ATOM 1534 CB LEU A 639 -7.475 -15.682 8.858 1.00 22.31 C ATOM 1535 CG LEU A 639 -7.898 -14.558 7.911 1.00 54.12 C ATOM 1536 CD1 LEU A 639 -9.417 -14.373 7.924 1.00 71.23 C ATOM 1537 CD2 LEU A 639 -7.160 -13.258 8.238 1.00 72.33 C ATOM 0 H LEU A 639 -6.627 -17.937 9.885 1.00 53.32 H new ATOM 0 HA LEU A 639 -6.182 -16.425 7.371 1.00 0.34 H new ATOM 0 HB2 LEU A 639 -8.300 -16.389 8.943 1.00 22.31 H new ATOM 0 HB3 LEU A 639 -7.317 -15.256 9.849 1.00 22.31 H new ATOM 0 HG LEU A 639 -7.616 -14.842 6.897 1.00 54.12 H new ATOM 0 HD11 LEU A 639 -9.691 -13.568 7.242 1.00 71.23 H new ATOM 0 HD12 LEU A 639 -9.899 -15.298 7.606 1.00 71.23 H new ATOM 0 HD13 LEU A 639 -9.744 -14.122 8.933 1.00 71.23 H new ATOM 0 HD21 LEU A 639 -7.479 -12.475 7.550 1.00 72.33 H new ATOM 0 HD22 LEU A 639 -7.388 -12.957 9.261 1.00 72.33 H new ATOM 0 HD23 LEU A 639 -6.086 -13.414 8.137 1.00 72.33 H new ATOM 1549 N LEU A 640 -4.414 -14.878 8.188 1.00 21.31 N ATOM 1550 CA LEU A 640 -3.185 -14.190 8.546 1.00 71.14 C ATOM 1551 C LEU A 640 -3.497 -12.724 8.853 1.00 75.24 C ATOM 1552 O LEU A 640 -3.529 -11.890 7.949 1.00 22.02 O ATOM 1553 CB LEU A 640 -2.129 -14.378 7.455 1.00 62.51 C ATOM 1554 CG LEU A 640 -1.682 -15.819 7.196 1.00 43.43 C ATOM 1555 CD1 LEU A 640 -1.598 -16.610 8.502 1.00 23.12 C ATOM 1556 CD2 LEU A 640 -2.591 -16.499 6.171 1.00 73.13 C ATOM 0 H LEU A 640 -4.834 -14.573 7.310 1.00 21.31 H new ATOM 0 HA LEU A 640 -2.757 -14.621 9.451 1.00 71.14 H new ATOM 0 HB2 LEU A 640 -2.519 -13.967 6.524 1.00 62.51 H new ATOM 0 HB3 LEU A 640 -1.252 -13.788 7.721 1.00 62.51 H new ATOM 0 HG LEU A 640 -0.679 -15.794 6.770 1.00 43.43 H new ATOM 0 HD11 LEU A 640 -1.278 -17.630 8.290 1.00 23.12 H new ATOM 0 HD12 LEU A 640 -0.878 -16.136 9.169 1.00 23.12 H new ATOM 0 HD13 LEU A 640 -2.578 -16.629 8.980 1.00 23.12 H new ATOM 0 HD21 LEU A 640 -2.251 -17.521 6.005 1.00 73.13 H new ATOM 0 HD22 LEU A 640 -3.615 -16.513 6.545 1.00 73.13 H new ATOM 0 HD23 LEU A 640 -2.556 -15.948 5.231 1.00 73.13 H new ATOM 1568 N GLU A 641 -3.721 -12.455 10.131 1.00 62.05 N ATOM 1569 CA GLU A 641 -4.030 -11.104 10.568 1.00 24.30 C ATOM 1570 C GLU A 641 -2.771 -10.235 10.537 1.00 63.34 C ATOM 1571 O GLU A 641 -1.793 -10.528 11.222 1.00 24.53 O ATOM 1572 CB GLU A 641 -4.657 -11.110 11.963 1.00 13.22 C ATOM 1573 CG GLU A 641 -6.169 -10.884 11.886 1.00 64.25 C ATOM 1574 CD GLU A 641 -6.797 -10.898 13.280 1.00 35.33 C ATOM 1575 OE1 GLU A 641 -8.030 -10.960 13.404 1.00 23.11 O ATOM 1576 OE2 GLU A 641 -5.957 -10.844 14.258 1.00 54.43 O ATOM 0 H GLU A 641 -3.695 -13.149 10.878 1.00 62.05 H new ATOM 0 HA GLU A 641 -4.759 -10.678 9.879 1.00 24.30 H new ATOM 0 HB2 GLU A 641 -4.453 -12.062 12.453 1.00 13.22 H new ATOM 0 HB3 GLU A 641 -4.200 -10.332 12.574 1.00 13.22 H new ATOM 0 HG2 GLU A 641 -6.373 -9.930 11.401 1.00 64.25 H new ATOM 0 HG3 GLU A 641 -6.625 -11.659 11.270 1.00 64.25 H new ATOM 1584 N THR A 642 -2.836 -9.183 9.734 1.00 73.42 N ATOM 1585 CA THR A 642 -1.714 -8.270 9.604 1.00 2.21 C ATOM 1586 C THR A 642 -2.168 -6.829 9.845 1.00 13.00 C ATOM 1587 O THR A 642 -3.355 -6.523 9.742 1.00 72.13 O ATOM 1588 CB THR A 642 -1.085 -8.486 8.226 1.00 21.22 C ATOM 1589 OG1 THR A 642 -1.622 -7.433 7.430 1.00 23.23 O ATOM 1590 CG2 THR A 642 -1.589 -9.761 7.546 1.00 25.03 C ATOM 0 H THR A 642 -3.649 -8.943 9.167 1.00 73.42 H new ATOM 0 HA THR A 642 -0.954 -8.469 10.359 1.00 2.21 H new ATOM 0 HB THR A 642 -0.000 -8.532 8.325 1.00 21.22 H new ATOM 0 HG1 THR A 642 -2.480 -7.716 7.049 1.00 23.23 H new ATOM 0 HG21 THR A 642 -1.112 -9.867 6.572 1.00 25.03 H new ATOM 0 HG22 THR A 642 -1.345 -10.624 8.165 1.00 25.03 H new ATOM 0 HG23 THR A 642 -2.670 -9.701 7.416 1.00 25.03 H new ATOM 1598 N PRO A 643 -1.174 -5.960 10.170 1.00 13.42 N ATOM 1599 CA PRO A 643 -1.460 -4.558 10.427 1.00 61.33 C ATOM 1600 C PRO A 643 -1.737 -3.807 9.123 1.00 73.53 C ATOM 1601 O PRO A 643 -1.967 -2.599 9.135 1.00 74.22 O ATOM 1602 CB PRO A 643 -0.238 -4.036 11.164 1.00 23.33 C ATOM 1603 CG PRO A 643 0.875 -5.033 10.885 1.00 61.40 C ATOM 1604 CD PRO A 643 0.243 -6.286 10.302 1.00 75.44 C ATOM 0 HA PRO A 643 -2.360 -4.415 11.024 1.00 61.33 H new ATOM 0 HB2 PRO A 643 0.033 -3.040 10.814 1.00 23.33 H new ATOM 0 HB3 PRO A 643 -0.432 -3.956 12.234 1.00 23.33 H new ATOM 0 HG2 PRO A 643 1.599 -4.611 10.188 1.00 61.40 H new ATOM 0 HG3 PRO A 643 1.415 -5.269 11.802 1.00 61.40 H new ATOM 0 HD2 PRO A 643 0.683 -6.539 9.337 1.00 75.44 H new ATOM 0 HD3 PRO A 643 0.392 -7.146 10.955 1.00 75.44 H new ATOM 1612 N GLN A 644 -1.706 -4.555 8.029 1.00 14.40 N ATOM 1613 CA GLN A 644 -1.952 -3.975 6.719 1.00 2.14 C ATOM 1614 C GLN A 644 -3.308 -4.435 6.181 1.00 12.31 C ATOM 1615 O GLN A 644 -3.751 -3.975 5.130 1.00 40.33 O ATOM 1616 CB GLN A 644 -0.827 -4.327 5.744 1.00 22.33 C ATOM 1617 CG GLN A 644 0.512 -4.454 6.474 1.00 11.11 C ATOM 1618 CD GLN A 644 1.683 -4.253 5.510 1.00 20.51 C ATOM 1619 OE1 GLN A 644 2.345 -3.229 5.501 1.00 1.33 O ATOM 1620 NE2 GLN A 644 1.901 -5.287 4.701 1.00 12.43 N ATOM 0 H GLN A 644 -1.514 -5.557 8.023 1.00 14.40 H new ATOM 0 HA GLN A 644 -1.973 -2.890 6.822 1.00 2.14 H new ATOM 0 HB2 GLN A 644 -1.060 -5.264 5.238 1.00 22.33 H new ATOM 0 HB3 GLN A 644 -0.754 -3.559 4.974 1.00 22.33 H new ATOM 0 HG2 GLN A 644 0.565 -3.717 7.275 1.00 11.11 H new ATOM 0 HG3 GLN A 644 0.584 -5.437 6.940 1.00 11.11 H new ATOM 0 HE21 GLN A 644 1.309 -6.115 4.761 1.00 12.43 H new ATOM 0 HE22 GLN A 644 2.661 -5.251 4.021 1.00 12.43 H new ATOM 1629 N GLY A 645 -3.930 -5.337 6.926 1.00 2.33 N ATOM 1630 CA GLY A 645 -5.227 -5.864 6.537 1.00 42.21 C ATOM 1631 C GLY A 645 -5.222 -7.394 6.545 1.00 2.21 C ATOM 1632 O GLY A 645 -4.213 -8.017 6.219 1.00 45.54 O ATOM 0 H GLY A 645 -3.560 -5.716 7.797 1.00 2.33 H new ATOM 0 HA2 GLY A 645 -5.993 -5.496 7.220 1.00 42.21 H new ATOM 0 HA3 GLY A 645 -5.487 -5.503 5.542 1.00 42.21 H new ATOM 1636 N ARG A 646 -6.361 -7.955 6.922 1.00 71.41 N ATOM 1637 CA ARG A 646 -6.501 -9.401 6.977 1.00 43.31 C ATOM 1638 C ARG A 646 -6.223 -10.014 5.603 1.00 41.52 C ATOM 1639 O ARG A 646 -6.540 -9.415 4.576 1.00 14.34 O ATOM 1640 CB ARG A 646 -7.906 -9.801 7.432 1.00 65.33 C ATOM 1641 CG ARG A 646 -7.955 -10.001 8.948 1.00 41.50 C ATOM 1642 CD ARG A 646 -9.359 -10.404 9.402 1.00 11.25 C ATOM 1643 NE ARG A 646 -10.349 -9.410 8.930 1.00 60.44 N ATOM 1644 CZ ARG A 646 -10.559 -8.213 9.516 1.00 11.13 C ATOM 1645 NH1 ARG A 646 -9.849 -7.849 10.605 1.00 21.43 N ATOM 1646 NH2 ARG A 646 -11.470 -7.403 9.009 1.00 3.23 N ATOM 0 H ARG A 646 -7.196 -7.435 7.192 1.00 71.41 H new ATOM 0 HA ARG A 646 -5.777 -9.777 7.699 1.00 43.31 H new ATOM 0 HB2 ARG A 646 -8.620 -9.031 7.140 1.00 65.33 H new ATOM 0 HB3 ARG A 646 -8.207 -10.721 6.930 1.00 65.33 H new ATOM 0 HG2 ARG A 646 -7.240 -10.770 9.240 1.00 41.50 H new ATOM 0 HG3 ARG A 646 -7.657 -9.080 9.450 1.00 41.50 H new ATOM 0 HD2 ARG A 646 -9.607 -11.391 9.011 1.00 11.25 H new ATOM 0 HD3 ARG A 646 -9.392 -10.474 10.489 1.00 11.25 H new ATOM 0 HE ARG A 646 -10.908 -9.645 8.110 1.00 60.44 H new ATOM 0 HH11 ARG A 646 -9.147 -8.481 10.991 1.00 21.43 H new ATOM 0 HH12 ARG A 646 -10.014 -6.942 11.042 1.00 21.43 H new ATOM 0 HH21 ARG A 646 -12.003 -7.686 8.186 1.00 3.23 H new ATOM 0 HH22 ARG A 646 -11.641 -6.494 9.440 1.00 3.23 H new ATOM 1659 N ILE A 647 -5.633 -11.200 5.628 1.00 40.44 N ATOM 1660 CA ILE A 647 -5.309 -11.900 4.396 1.00 22.15 C ATOM 1661 C ILE A 647 -5.688 -13.375 4.539 1.00 23.53 C ATOM 1662 O ILE A 647 -5.437 -13.987 5.577 1.00 52.31 O ATOM 1663 CB ILE A 647 -3.842 -11.675 4.022 1.00 34.13 C ATOM 1664 CG1 ILE A 647 -3.533 -10.183 3.889 1.00 12.43 C ATOM 1665 CG2 ILE A 647 -3.474 -12.452 2.756 1.00 12.24 C ATOM 1666 CD1 ILE A 647 -2.026 -9.928 3.948 1.00 43.43 C ATOM 0 H ILE A 647 -5.371 -11.694 6.481 1.00 40.44 H new ATOM 0 HA ILE A 647 -5.890 -11.500 3.565 1.00 22.15 H new ATOM 0 HB ILE A 647 -3.220 -12.062 4.829 1.00 34.13 H new ATOM 0 HG12 ILE A 647 -3.932 -9.808 2.947 1.00 12.43 H new ATOM 0 HG13 ILE A 647 -4.030 -9.632 4.688 1.00 12.43 H new ATOM 0 HG21 ILE A 647 -2.427 -12.275 2.512 1.00 12.24 H new ATOM 0 HG22 ILE A 647 -3.632 -13.517 2.924 1.00 12.24 H new ATOM 0 HG23 ILE A 647 -4.101 -12.118 1.929 1.00 12.24 H new ATOM 0 HD11 ILE A 647 -1.834 -8.859 3.851 1.00 43.43 H new ATOM 0 HD12 ILE A 647 -1.634 -10.282 4.901 1.00 43.43 H new ATOM 0 HD13 ILE A 647 -1.535 -10.460 3.134 1.00 43.43 H new ATOM 1678 N GLN A 648 -6.285 -13.905 3.482 1.00 33.01 N ATOM 1679 CA GLN A 648 -6.701 -15.297 3.477 1.00 72.34 C ATOM 1680 C GLN A 648 -6.242 -15.983 2.189 1.00 70.45 C ATOM 1681 O GLN A 648 -6.753 -15.690 1.109 1.00 73.52 O ATOM 1682 CB GLN A 648 -8.216 -15.418 3.652 1.00 53.52 C ATOM 1683 CG GLN A 648 -8.580 -16.688 4.424 1.00 50.44 C ATOM 1684 CD GLN A 648 -7.908 -17.916 3.807 1.00 45.44 C ATOM 1685 OE1 GLN A 648 -6.744 -18.201 4.039 1.00 13.20 O ATOM 1686 NE2 GLN A 648 -8.702 -18.624 3.009 1.00 31.24 N ATOM 0 H GLN A 648 -6.491 -13.395 2.623 1.00 33.01 H new ATOM 0 HA GLN A 648 -6.230 -15.799 4.322 1.00 72.34 H new ATOM 0 HB2 GLN A 648 -8.595 -14.545 4.183 1.00 53.52 H new ATOM 0 HB3 GLN A 648 -8.698 -15.432 2.675 1.00 53.52 H new ATOM 0 HG2 GLN A 648 -8.273 -16.586 5.465 1.00 50.44 H new ATOM 0 HG3 GLN A 648 -9.662 -16.822 4.422 1.00 50.44 H new ATOM 0 HE21 GLN A 648 -9.667 -18.330 2.858 1.00 31.24 H new ATOM 0 HE22 GLN A 648 -8.346 -19.461 2.548 1.00 31.24 H new ATOM 1695 N ALA A 649 -5.283 -16.884 2.345 1.00 45.51 N ATOM 1696 CA ALA A 649 -4.749 -17.614 1.208 1.00 43.33 C ATOM 1697 C ALA A 649 -5.266 -19.053 1.243 1.00 71.11 C ATOM 1698 O ALA A 649 -5.789 -19.504 2.261 1.00 41.10 O ATOM 1699 CB ALA A 649 -3.220 -17.543 1.227 1.00 15.30 C ATOM 0 H ALA A 649 -4.862 -17.125 3.242 1.00 45.51 H new ATOM 0 HA ALA A 649 -5.084 -17.166 0.273 1.00 43.33 H new ATOM 0 HB1 ALA A 649 -2.820 -18.091 0.374 1.00 15.30 H new ATOM 0 HB2 ALA A 649 -2.903 -16.502 1.170 1.00 15.30 H new ATOM 0 HB3 ALA A 649 -2.847 -17.986 2.150 1.00 15.30 H new ATOM 1705 N LYS A 650 -5.102 -19.735 0.119 1.00 52.33 N ATOM 1706 CA LYS A 650 -5.546 -21.114 0.008 1.00 11.20 C ATOM 1707 C LYS A 650 -4.332 -22.043 0.074 1.00 51.32 C ATOM 1708 O LYS A 650 -4.398 -23.114 0.674 1.00 24.15 O ATOM 1709 CB LYS A 650 -6.398 -21.303 -1.249 1.00 30.34 C ATOM 1710 CG LYS A 650 -7.130 -20.010 -1.615 1.00 22.50 C ATOM 1711 CD LYS A 650 -6.370 -19.237 -2.694 1.00 64.13 C ATOM 1712 CE LYS A 650 -7.322 -18.372 -3.522 1.00 42.31 C ATOM 1713 NZ LYS A 650 -7.701 -19.068 -4.772 1.00 2.10 N ATOM 0 H LYS A 650 -4.668 -19.358 -0.723 1.00 52.33 H new ATOM 0 HA LYS A 650 -6.193 -21.375 0.846 1.00 11.20 H new ATOM 0 HB2 LYS A 650 -5.764 -21.613 -2.079 1.00 30.34 H new ATOM 0 HB3 LYS A 650 -7.122 -22.101 -1.085 1.00 30.34 H new ATOM 0 HG2 LYS A 650 -8.134 -20.244 -1.969 1.00 22.50 H new ATOM 0 HG3 LYS A 650 -7.242 -19.387 -0.727 1.00 22.50 H new ATOM 0 HD2 LYS A 650 -5.612 -18.607 -2.229 1.00 64.13 H new ATOM 0 HD3 LYS A 650 -5.847 -19.936 -3.347 1.00 64.13 H new ATOM 0 HE2 LYS A 650 -8.215 -18.145 -2.940 1.00 42.31 H new ATOM 0 HE3 LYS A 650 -6.845 -17.421 -3.759 1.00 42.31 H new ATOM 0 HZ1 LYS A 650 -8.347 -18.467 -5.322 1.00 2.10 H new ATOM 0 HZ2 LYS A 650 -6.847 -19.263 -5.333 1.00 2.10 H new ATOM 0 HZ3 LYS A 650 -8.175 -19.964 -4.540 1.00 2.10 H new ATOM 1726 N LYS A 651 -3.252 -21.598 -0.552 1.00 74.12 N ATOM 1727 CA LYS A 651 -2.025 -22.376 -0.572 1.00 73.13 C ATOM 1728 C LYS A 651 -0.960 -21.662 0.262 1.00 40.12 C ATOM 1729 O LYS A 651 -0.911 -20.433 0.293 1.00 73.23 O ATOM 1730 CB LYS A 651 -1.593 -22.657 -2.013 1.00 5.13 C ATOM 1731 CG LYS A 651 -2.201 -23.965 -2.523 1.00 52.30 C ATOM 1732 CD LYS A 651 -3.701 -23.808 -2.780 1.00 13.22 C ATOM 1733 CE LYS A 651 -3.966 -23.325 -4.207 1.00 43.03 C ATOM 1734 NZ LYS A 651 -4.037 -24.474 -5.138 1.00 14.41 N ATOM 0 H LYS A 651 -3.201 -20.709 -1.049 1.00 74.12 H new ATOM 0 HA LYS A 651 -2.185 -23.353 -0.116 1.00 73.13 H new ATOM 0 HB2 LYS A 651 -1.902 -21.833 -2.656 1.00 5.13 H new ATOM 0 HB3 LYS A 651 -0.506 -22.712 -2.066 1.00 5.13 H new ATOM 0 HG2 LYS A 651 -1.701 -24.269 -3.442 1.00 52.30 H new ATOM 0 HG3 LYS A 651 -2.034 -24.757 -1.793 1.00 52.30 H new ATOM 0 HD2 LYS A 651 -4.203 -24.761 -2.616 1.00 13.22 H new ATOM 0 HD3 LYS A 651 -4.123 -23.099 -2.068 1.00 13.22 H new ATOM 0 HE2 LYS A 651 -4.900 -22.764 -4.240 1.00 43.03 H new ATOM 0 HE3 LYS A 651 -3.174 -22.644 -4.520 1.00 43.03 H new ATOM 0 HZ1 LYS A 651 -4.217 -24.129 -6.102 1.00 14.41 H new ATOM 0 HZ2 LYS A 651 -3.136 -24.993 -5.119 1.00 14.41 H new ATOM 0 HZ3 LYS A 651 -4.808 -25.109 -4.848 1.00 14.41 H new ATOM 1747 N TRP A 652 -0.133 -22.462 0.918 1.00 62.42 N ATOM 1748 CA TRP A 652 0.929 -21.922 1.750 1.00 72.21 C ATOM 1749 C TRP A 652 1.964 -21.270 0.831 1.00 0.34 C ATOM 1750 O TRP A 652 2.865 -20.576 1.300 1.00 64.21 O ATOM 1751 CB TRP A 652 1.526 -23.006 2.649 1.00 63.41 C ATOM 1752 CG TRP A 652 0.527 -23.621 3.631 1.00 72.34 C ATOM 1753 CD1 TRP A 652 -0.423 -24.532 3.379 1.00 74.03 C ATOM 1754 CD2 TRP A 652 0.417 -23.331 5.040 1.00 34.21 C ATOM 1755 NE1 TRP A 652 -1.135 -24.849 4.518 1.00 51.11 N ATOM 1756 CE2 TRP A 652 -0.608 -24.095 5.560 1.00 21.53 C ATOM 1757 CE3 TRP A 652 1.158 -22.452 5.849 1.00 64.22 C ATOM 1758 CZ2 TRP A 652 -0.984 -24.058 6.908 1.00 11.13 C ATOM 1759 CZ3 TRP A 652 0.770 -22.426 7.194 1.00 71.23 C ATOM 1760 CH2 TRP A 652 -0.259 -23.189 7.733 1.00 73.22 C ATOM 0 H TRP A 652 -0.177 -23.481 0.890 1.00 62.42 H new ATOM 0 HA TRP A 652 0.539 -21.163 2.429 1.00 72.21 H new ATOM 0 HB2 TRP A 652 1.937 -23.797 2.022 1.00 63.41 H new ATOM 0 HB3 TRP A 652 2.357 -22.580 3.211 1.00 63.41 H new ATOM 0 HD1 TRP A 652 -0.608 -24.964 2.407 1.00 74.03 H new ATOM 0 HE1 TRP A 652 -1.906 -25.514 4.583 1.00 51.11 H new ATOM 0 HE3 TRP A 652 1.963 -21.844 5.463 1.00 64.22 H new ATOM 0 HZ2 TRP A 652 -1.790 -24.667 7.291 1.00 11.13 H new ATOM 0 HZ3 TRP A 652 1.308 -21.767 7.859 1.00 71.23 H new ATOM 0 HH2 TRP A 652 -0.498 -23.112 8.783 1.00 73.22 H new ATOM 1771 N SER A 653 1.800 -21.515 -0.460 1.00 61.12 N ATOM 1772 CA SER A 653 2.709 -20.960 -1.449 1.00 21.13 C ATOM 1773 C SER A 653 2.482 -19.453 -1.581 1.00 14.11 C ATOM 1774 O SER A 653 3.338 -18.735 -2.095 1.00 52.03 O ATOM 1775 CB SER A 653 2.532 -21.645 -2.805 1.00 40.34 C ATOM 1776 OG SER A 653 2.968 -20.818 -3.881 1.00 64.33 O ATOM 0 H SER A 653 1.051 -22.091 -0.845 1.00 61.12 H new ATOM 0 HA SER A 653 3.731 -21.138 -1.113 1.00 21.13 H new ATOM 0 HB2 SER A 653 3.093 -22.579 -2.815 1.00 40.34 H new ATOM 0 HB3 SER A 653 1.482 -21.902 -2.947 1.00 40.34 H new ATOM 0 HG SER A 653 2.840 -21.291 -4.730 1.00 64.33 H new ATOM 1782 N ARG A 654 1.323 -19.018 -1.107 1.00 42.15 N ATOM 1783 CA ARG A 654 0.972 -17.609 -1.166 1.00 62.13 C ATOM 1784 C ARG A 654 1.205 -16.947 0.193 1.00 4.20 C ATOM 1785 O ARG A 654 1.353 -15.729 0.277 1.00 42.53 O ATOM 1786 CB ARG A 654 -0.491 -17.423 -1.572 1.00 50.45 C ATOM 1787 CG ARG A 654 -0.826 -18.253 -2.813 1.00 21.20 C ATOM 1788 CD ARG A 654 -0.072 -17.735 -4.039 1.00 61.45 C ATOM 1789 NE ARG A 654 -0.979 -16.931 -4.889 1.00 5.25 N ATOM 1790 CZ ARG A 654 -1.146 -15.597 -4.765 1.00 40.00 C ATOM 1791 NH1 ARG A 654 -0.468 -14.906 -3.824 1.00 50.43 N ATOM 1792 NH2 ARG A 654 -1.983 -14.979 -5.578 1.00 4.13 N ATOM 0 H ARG A 654 0.616 -19.616 -0.681 1.00 42.15 H new ATOM 0 HA ARG A 654 1.608 -17.140 -1.916 1.00 62.13 H new ATOM 0 HB2 ARG A 654 -1.141 -17.717 -0.748 1.00 50.45 H new ATOM 0 HB3 ARG A 654 -0.685 -16.369 -1.772 1.00 50.45 H new ATOM 0 HG2 ARG A 654 -0.568 -19.297 -2.637 1.00 21.20 H new ATOM 0 HG3 ARG A 654 -1.899 -18.217 -3.000 1.00 21.20 H new ATOM 0 HD2 ARG A 654 0.777 -17.129 -3.724 1.00 61.45 H new ATOM 0 HD3 ARG A 654 0.328 -18.572 -4.611 1.00 61.45 H new ATOM 0 HE ARG A 654 -1.510 -17.415 -5.613 1.00 5.25 H new ATOM 0 HH11 ARG A 654 0.176 -15.392 -3.200 1.00 50.43 H new ATOM 0 HH12 ARG A 654 -0.600 -13.898 -3.737 1.00 50.43 H new ATOM 0 HH21 ARG A 654 -2.491 -15.509 -6.286 1.00 4.13 H new ATOM 0 HH22 ARG A 654 -2.121 -13.972 -5.498 1.00 4.13 H new ATOM 1805 N VAL A 655 1.231 -17.778 1.224 1.00 21.41 N ATOM 1806 CA VAL A 655 1.444 -17.289 2.575 1.00 11.35 C ATOM 1807 C VAL A 655 2.504 -16.186 2.553 1.00 64.13 C ATOM 1808 O VAL A 655 3.599 -16.383 2.027 1.00 31.33 O ATOM 1809 CB VAL A 655 1.809 -18.450 3.502 1.00 62.43 C ATOM 1810 CG1 VAL A 655 2.726 -17.982 4.634 1.00 53.14 C ATOM 1811 CG2 VAL A 655 0.553 -19.125 4.057 1.00 40.13 C ATOM 0 H VAL A 655 1.108 -18.788 1.151 1.00 21.41 H new ATOM 0 HA VAL A 655 0.527 -16.851 2.970 1.00 11.35 H new ATOM 0 HB VAL A 655 2.354 -19.188 2.914 1.00 62.43 H new ATOM 0 HG11 VAL A 655 2.970 -18.827 5.278 1.00 53.14 H new ATOM 0 HG12 VAL A 655 3.643 -17.570 4.213 1.00 53.14 H new ATOM 0 HG13 VAL A 655 2.219 -17.215 5.219 1.00 53.14 H new ATOM 0 HG21 VAL A 655 0.841 -19.947 4.713 1.00 40.13 H new ATOM 0 HG22 VAL A 655 -0.031 -18.398 4.621 1.00 40.13 H new ATOM 0 HG23 VAL A 655 -0.047 -19.512 3.233 1.00 40.13 H new ATOM 1821 N PRO A 656 2.133 -15.019 3.144 1.00 21.23 N ATOM 1822 CA PRO A 656 3.040 -13.885 3.197 1.00 72.02 C ATOM 1823 C PRO A 656 4.135 -14.107 4.242 1.00 42.52 C ATOM 1824 O PRO A 656 5.319 -13.943 3.950 1.00 12.40 O ATOM 1825 CB PRO A 656 2.156 -12.688 3.508 1.00 75.55 C ATOM 1826 CG PRO A 656 0.866 -13.259 4.075 1.00 60.31 C ATOM 1827 CD PRO A 656 0.845 -14.750 3.777 1.00 41.53 C ATOM 0 HA PRO A 656 3.578 -13.733 2.262 1.00 72.02 H new ATOM 0 HB2 PRO A 656 2.637 -12.023 4.225 1.00 75.55 H new ATOM 0 HB3 PRO A 656 1.962 -12.102 2.610 1.00 75.55 H new ATOM 0 HG2 PRO A 656 0.811 -13.084 5.149 1.00 60.31 H new ATOM 0 HG3 PRO A 656 0.002 -12.768 3.627 1.00 60.31 H new ATOM 0 HD2 PRO A 656 0.722 -15.334 4.689 1.00 41.53 H new ATOM 0 HD3 PRO A 656 0.017 -15.010 3.117 1.00 41.53 H new ATOM 1835 N PHE A 657 3.701 -14.476 5.438 1.00 44.11 N ATOM 1836 CA PHE A 657 4.630 -14.722 6.528 1.00 43.21 C ATOM 1837 C PHE A 657 5.520 -15.930 6.228 1.00 34.33 C ATOM 1838 O PHE A 657 5.175 -16.768 5.396 1.00 30.13 O ATOM 1839 CB PHE A 657 3.791 -15.017 7.773 1.00 62.14 C ATOM 1840 CG PHE A 657 3.042 -16.350 7.716 1.00 23.24 C ATOM 1841 CD1 PHE A 657 1.816 -16.417 7.133 1.00 53.02 C ATOM 1842 CD2 PHE A 657 3.603 -17.468 8.250 1.00 64.41 C ATOM 1843 CE1 PHE A 657 1.121 -17.654 7.081 1.00 72.25 C ATOM 1844 CE2 PHE A 657 2.908 -18.706 8.198 1.00 44.54 C ATOM 1845 CZ PHE A 657 1.682 -18.772 7.614 1.00 32.40 C ATOM 0 H PHE A 657 2.718 -14.611 5.676 1.00 44.11 H new ATOM 0 HA PHE A 657 5.276 -13.855 6.669 1.00 43.21 H new ATOM 0 HB2 PHE A 657 4.443 -15.015 8.647 1.00 62.14 H new ATOM 0 HB3 PHE A 657 3.069 -14.212 7.912 1.00 62.14 H new ATOM 0 HD1 PHE A 657 1.370 -15.529 6.709 1.00 53.02 H new ATOM 0 HD2 PHE A 657 4.577 -17.415 8.714 1.00 64.41 H new ATOM 0 HE1 PHE A 657 0.147 -17.707 6.618 1.00 72.25 H new ATOM 0 HE2 PHE A 657 3.353 -19.594 8.622 1.00 44.54 H new ATOM 0 HZ PHE A 657 1.153 -19.713 7.573 1.00 32.40 H new ATOM 1855 N SER A 658 6.647 -15.982 6.923 1.00 34.00 N ATOM 1856 CA SER A 658 7.588 -17.074 6.742 1.00 70.01 C ATOM 1857 C SER A 658 7.262 -18.212 7.712 1.00 45.24 C ATOM 1858 O SER A 658 6.746 -17.974 8.802 1.00 0.04 O ATOM 1859 CB SER A 658 9.028 -16.599 6.945 1.00 20.10 C ATOM 1860 OG SER A 658 9.297 -15.392 6.237 1.00 50.00 O ATOM 0 H SER A 658 6.929 -15.285 7.612 1.00 34.00 H new ATOM 0 HA SER A 658 7.496 -17.440 5.719 1.00 70.01 H new ATOM 0 HB2 SER A 658 9.212 -16.444 8.008 1.00 20.10 H new ATOM 0 HB3 SER A 658 9.716 -17.376 6.612 1.00 20.10 H new ATOM 0 HG SER A 658 10.226 -15.121 6.394 1.00 50.00 H new ATOM 1866 N VAL A 659 7.578 -19.424 7.279 1.00 10.30 N ATOM 1867 CA VAL A 659 7.326 -20.599 8.095 1.00 14.03 C ATOM 1868 C VAL A 659 8.562 -21.500 8.080 1.00 72.30 C ATOM 1869 O VAL A 659 8.733 -22.310 7.170 1.00 31.11 O ATOM 1870 CB VAL A 659 6.061 -21.311 7.611 1.00 52.21 C ATOM 1871 CG1 VAL A 659 5.445 -22.156 8.728 1.00 65.01 C ATOM 1872 CG2 VAL A 659 5.045 -20.309 7.059 1.00 42.44 C ATOM 0 H VAL A 659 8.006 -19.617 6.374 1.00 10.30 H new ATOM 0 HA VAL A 659 7.145 -20.313 9.131 1.00 14.03 H new ATOM 0 HB VAL A 659 6.345 -21.982 6.801 1.00 52.21 H new ATOM 0 HG11 VAL A 659 4.548 -22.651 8.357 1.00 65.01 H new ATOM 0 HG12 VAL A 659 6.164 -22.907 9.055 1.00 65.01 H new ATOM 0 HG13 VAL A 659 5.184 -21.513 9.569 1.00 65.01 H new ATOM 0 HG21 VAL A 659 4.155 -20.841 6.722 1.00 42.44 H new ATOM 0 HG22 VAL A 659 4.770 -19.601 7.841 1.00 42.44 H new ATOM 0 HG23 VAL A 659 5.485 -19.770 6.220 1.00 42.44 H new ATOM 1882 N PRO A 660 9.414 -21.325 9.125 1.00 1.22 N ATOM 1883 CA PRO A 660 10.629 -22.113 9.240 1.00 4.43 C ATOM 1884 C PRO A 660 10.316 -23.541 9.691 1.00 64.05 C ATOM 1885 O PRO A 660 9.360 -23.767 10.430 1.00 31.11 O ATOM 1886 CB PRO A 660 11.497 -21.354 10.231 1.00 25.21 C ATOM 1887 CG PRO A 660 10.558 -20.426 10.983 1.00 32.04 C ATOM 1888 CD PRO A 660 9.244 -20.375 10.221 1.00 32.20 C ATOM 0 HA PRO A 660 11.145 -22.232 8.287 1.00 4.43 H new ATOM 0 HB2 PRO A 660 11.999 -22.039 10.914 1.00 25.21 H new ATOM 0 HB3 PRO A 660 12.275 -20.789 9.717 1.00 25.21 H new ATOM 0 HG2 PRO A 660 10.397 -20.787 11.999 1.00 32.04 H new ATOM 0 HG3 PRO A 660 10.991 -19.429 11.065 1.00 32.04 H new ATOM 0 HD2 PRO A 660 8.405 -20.653 10.859 1.00 32.20 H new ATOM 0 HD3 PRO A 660 9.042 -19.371 9.847 1.00 32.20 H new ATOM 1896 N ASP A 661 11.141 -24.468 9.226 1.00 40.04 N ATOM 1897 CA ASP A 661 10.964 -25.868 9.571 1.00 23.22 C ATOM 1898 C ASP A 661 11.155 -26.045 11.079 1.00 50.20 C ATOM 1899 O ASP A 661 11.759 -25.198 11.735 1.00 12.34 O ATOM 1900 CB ASP A 661 11.995 -26.746 8.858 1.00 1.34 C ATOM 1901 CG ASP A 661 13.446 -26.279 8.994 1.00 71.12 C ATOM 1902 OD1 ASP A 661 13.714 -25.130 9.375 1.00 42.03 O ATOM 1903 OD2 ASP A 661 14.334 -27.163 8.685 1.00 12.51 O ATOM 0 H ASP A 661 11.934 -24.277 8.613 1.00 40.04 H new ATOM 0 HA ASP A 661 9.962 -26.167 9.264 1.00 23.22 H new ATOM 0 HB2 ASP A 661 11.918 -27.761 9.248 1.00 1.34 H new ATOM 0 HB3 ASP A 661 11.741 -26.791 7.799 1.00 1.34 H new ATOM 1909 N PHE A 662 10.629 -27.151 11.584 1.00 13.21 N ATOM 1910 CA PHE A 662 10.733 -27.449 13.002 1.00 24.43 C ATOM 1911 C PHE A 662 12.120 -27.087 13.538 1.00 20.11 C ATOM 1912 O PHE A 662 13.066 -26.930 12.767 1.00 13.03 O ATOM 1913 CB PHE A 662 10.517 -28.956 13.159 1.00 14.34 C ATOM 1914 CG PHE A 662 10.271 -29.402 14.602 1.00 3.03 C ATOM 1915 CD1 PHE A 662 9.074 -29.153 15.197 1.00 75.44 C ATOM 1916 CD2 PHE A 662 11.251 -30.047 15.290 1.00 21.04 C ATOM 1917 CE1 PHE A 662 8.846 -29.567 16.536 1.00 70.53 C ATOM 1918 CE2 PHE A 662 11.023 -30.461 16.630 1.00 65.15 C ATOM 1919 CZ PHE A 662 9.826 -30.213 17.224 1.00 53.51 C ATOM 0 H PHE A 662 10.129 -27.852 11.036 1.00 13.21 H new ATOM 0 HA PHE A 662 9.995 -26.871 13.559 1.00 24.43 H new ATOM 0 HB2 PHE A 662 9.667 -29.257 12.547 1.00 14.34 H new ATOM 0 HB3 PHE A 662 11.390 -29.480 12.771 1.00 14.34 H new ATOM 0 HD1 PHE A 662 8.296 -28.640 14.651 1.00 75.44 H new ATOM 0 HD2 PHE A 662 12.202 -30.244 14.818 1.00 21.04 H new ATOM 0 HE1 PHE A 662 7.895 -29.369 17.008 1.00 70.53 H new ATOM 0 HE2 PHE A 662 11.801 -30.973 17.177 1.00 65.15 H new ATOM 0 HZ PHE A 662 9.653 -30.529 18.242 1.00 53.51 H new