USER MOD reduce.3.24.130724 H: found=0, std=0, add=1088, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1080 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= -0.66 USER MOD Set 1.2: A 622 GLN : amide:sc= -6.33! C(o=-7!,f=-15!) USER MOD Set 2.1: A 579 ASN : amide:sc= -6.41! C(o=-9.4!,f=-7!) USER MOD Set 2.2: A 581 ASN : amide:sc= -2.96! C(o=-9.4!,f=-9.3!) USER MOD Set 3.1: A 571 LYS NZ :NH3+ 162:sc= -0.857 (180deg=0) USER MOD Set 3.2: A 577 HIS : no HE2:sc= -19.2! C(o=-20!,f=-19!) USER MOD Set 4.1: A 553 GLN : amide:sc= -2.33! C(o=-2.5!,f=-2.7!) USER MOD Set 4.2: A 565 HIS : no HD1:sc= -0.121 X(o=-2.5,f=-2.5) USER MOD Single : A 544 HIS : no HD1:sc= -0.0294 X(o=-0.029,f=-0.0021) USER MOD Single : A 545 MET CE :methyl 145:sc= -0.496 (180deg=-2.53!) USER MOD Single : A 546 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.043) USER MOD Single : A 551 HIS : no HD1:sc= -1.05 K(o=-1,f=-1.8) USER MOD Single : A 558 ASN : amide:sc= -0.3 K(o=-0.3,f=-1.3) USER MOD Single : A 560 MET CE :methyl -106:sc= -2.4! (180deg=-7.36!) USER MOD Single : A 567 SER OG : rot -42:sc= -0.239 USER MOD Single : A 575 THR OG1 : rot 180:sc= -0.0938 USER MOD Single : A 576 HIS : no HD1:sc= -0.0548 X(o=-0.055,f=-0.49) USER MOD Single : A 583 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.11) USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 587 TYR OH : rot -78:sc= 0.382 USER MOD Single : A 589 ASN : amide:sc= -0.676 X(o=-0.68,f=-0.22) USER MOD Single : A 591 SER OG : rot -170:sc= -0.547 USER MOD Single : A 598 ASN : amide:sc= -0.82 K(o=-0.82,f=-0.15) USER MOD Single : A 599 LYS NZ :NH3+ 155:sc= -0.0645 (180deg=-0.416) USER MOD Single : A 602 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 605 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 SER OG : rot 180:sc= -0.391 USER MOD Single : A 614 ASN : amide:sc= -5.24! K(o=-5.2!,f=-4.1) USER MOD Single : A 623 MET CE :methyl 135:sc= -0.225 (180deg=-2.48) 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 -81:sc= 0.595 USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.013) USER MOD Single : A 637 SER OG : rot -102:sc= 0.676 USER MOD Single : A 638 MET CE :methyl -144:sc= -8.61! (180deg=-10.4!) USER MOD Single : A 642 THR OG1 : rot -91:sc= 0.78 USER MOD Single : A 644 GLN : amide:sc= -1.93 K(o=-1.9,f=-1) USER MOD Single : A 648 GLN : amide:sc= -6.13! C(o=-6.1!,f=-6.8!) 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=-0.000109 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD Single : A 666 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.8!) USER MOD Single : A 667 HIS : no HD1:sc= -3.94! C(o=-3.9!,f=-3.8!) USER MOD Single : A 668 CYS SG : rot 180:sc= 0 USER MOD Single : A 671 ASN : amide:sc= 0.416 X(o=0.42,f=-0.012) USER MOD Single : A 673 SER OG : rot 23:sc= 1.23 USER MOD Single : A 676 SER OG : rot 1:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 542 8.606 3.112 0.263 1.00 41.31 N ATOM 2 CA GLY A 542 8.371 2.005 -0.648 1.00 23.20 C ATOM 3 C GLY A 542 7.373 1.009 -0.055 1.00 14.04 C ATOM 4 O GLY A 542 6.843 1.229 1.033 1.00 12.43 O ATOM 0 HA2 GLY A 542 7.991 2.384 -1.597 1.00 23.20 H new ATOM 0 HA3 GLY A 542 9.312 1.499 -0.861 1.00 23.20 H new ATOM 8 N PRO A 543 7.140 -0.094 -0.815 1.00 53.15 N ATOM 9 CA PRO A 543 6.214 -1.124 -0.376 1.00 60.14 C ATOM 10 C PRO A 543 6.830 -1.978 0.734 1.00 0.30 C ATOM 11 O PRO A 543 6.663 -1.680 1.916 1.00 44.22 O ATOM 12 CB PRO A 543 5.891 -1.922 -1.629 1.00 35.21 C ATOM 13 CG PRO A 543 6.996 -1.605 -2.622 1.00 42.25 C ATOM 14 CD PRO A 543 7.749 -0.388 -2.109 1.00 61.31 C ATOM 0 HA PRO A 543 5.305 -0.713 0.064 1.00 60.14 H new ATOM 0 HB2 PRO A 543 5.855 -2.990 -1.413 1.00 35.21 H new ATOM 0 HB3 PRO A 543 4.916 -1.644 -2.028 1.00 35.21 H new ATOM 0 HG2 PRO A 543 7.670 -2.455 -2.727 1.00 42.25 H new ATOM 0 HG3 PRO A 543 6.577 -1.407 -3.609 1.00 42.25 H new ATOM 0 HD2 PRO A 543 8.814 -0.595 -2.007 1.00 61.31 H new ATOM 0 HD3 PRO A 543 7.652 0.455 -2.793 1.00 61.31 H new ATOM 22 N HIS A 544 7.529 -3.022 0.315 1.00 61.22 N ATOM 23 CA HIS A 544 8.171 -3.921 1.259 1.00 0.10 C ATOM 24 C HIS A 544 7.137 -4.435 2.262 1.00 33.33 C ATOM 25 O HIS A 544 7.341 -4.345 3.472 1.00 63.12 O ATOM 26 CB HIS A 544 9.363 -3.239 1.933 1.00 22.14 C ATOM 27 CG HIS A 544 10.546 -3.024 1.019 1.00 74.10 C ATOM 28 ND1 HIS A 544 11.322 -1.879 1.054 1.00 55.43 N ATOM 29 CD2 HIS A 544 11.076 -3.819 0.046 1.00 23.43 C ATOM 30 CE1 HIS A 544 12.273 -1.990 0.138 1.00 12.13 C ATOM 31 NE2 HIS A 544 12.119 -3.193 -0.485 1.00 72.24 N ATOM 0 H HIS A 544 7.665 -3.266 -0.666 1.00 61.22 H new ATOM 0 HA HIS A 544 8.573 -4.785 0.729 1.00 0.10 H new ATOM 0 HB2 HIS A 544 9.042 -2.275 2.327 1.00 22.14 H new ATOM 0 HB3 HIS A 544 9.680 -3.842 2.784 1.00 22.14 H new ATOM 0 HD2 HIS A 544 10.709 -4.793 -0.243 1.00 23.43 H new ATOM 0 HE1 HIS A 544 13.036 -1.257 -0.077 1.00 12.13 H new ATOM 0 HE2 HIS A 544 12.708 -3.553 -1.236 1.00 72.24 H new ATOM 39 N MET A 545 6.048 -4.964 1.723 1.00 41.43 N ATOM 40 CA MET A 545 4.981 -5.492 2.555 1.00 22.53 C ATOM 41 C MET A 545 5.489 -6.635 3.437 1.00 1.13 C ATOM 42 O MET A 545 5.337 -7.806 3.092 1.00 51.44 O ATOM 43 CB MET A 545 3.844 -6.000 1.667 1.00 71.23 C ATOM 44 CG MET A 545 3.049 -4.835 1.074 1.00 44.32 C ATOM 45 SD MET A 545 3.749 -4.355 -0.497 1.00 31.41 S ATOM 46 CE MET A 545 3.633 -5.906 -1.374 1.00 13.30 C ATOM 0 H MET A 545 5.882 -5.038 0.719 1.00 41.43 H new ATOM 0 HA MET A 545 4.619 -4.692 3.201 1.00 22.53 H new ATOM 0 HB2 MET A 545 4.252 -6.613 0.863 1.00 71.23 H new ATOM 0 HB3 MET A 545 3.180 -6.639 2.250 1.00 71.23 H new ATOM 0 HG2 MET A 545 2.006 -5.125 0.944 1.00 44.32 H new ATOM 0 HG3 MET A 545 3.061 -3.989 1.761 1.00 44.32 H new ATOM 0 HE1 MET A 545 3.418 -5.714 -2.425 1.00 13.30 H new ATOM 0 HE2 MET A 545 4.577 -6.443 -1.289 1.00 13.30 H new ATOM 0 HE3 MET A 545 2.833 -6.508 -0.944 1.00 13.30 H new ATOM 56 N GLN A 546 6.082 -6.255 4.559 1.00 3.14 N ATOM 57 CA GLN A 546 6.614 -7.233 5.493 1.00 15.15 C ATOM 58 C GLN A 546 5.491 -7.798 6.366 1.00 10.43 C ATOM 59 O GLN A 546 4.380 -7.270 6.373 1.00 72.23 O ATOM 60 CB GLN A 546 7.723 -6.624 6.353 1.00 12.22 C ATOM 61 CG GLN A 546 7.137 -5.764 7.475 1.00 44.51 C ATOM 62 CD GLN A 546 8.137 -4.697 7.926 1.00 11.42 C ATOM 63 OE1 GLN A 546 8.548 -4.640 9.073 1.00 23.14 O ATOM 64 NE2 GLN A 546 8.503 -3.856 6.962 1.00 23.44 N ATOM 0 H GLN A 546 6.206 -5.283 4.843 1.00 3.14 H new ATOM 0 HA GLN A 546 7.051 -8.052 4.922 1.00 15.15 H new ATOM 0 HB2 GLN A 546 8.334 -7.419 6.781 1.00 12.22 H new ATOM 0 HB3 GLN A 546 8.380 -6.017 5.730 1.00 12.22 H new ATOM 0 HG2 GLN A 546 6.220 -5.286 7.131 1.00 44.51 H new ATOM 0 HG3 GLN A 546 6.868 -6.397 8.321 1.00 44.51 H new ATOM 0 HE21 GLN A 546 8.120 -3.960 6.022 1.00 23.44 H new ATOM 0 HE22 GLN A 546 9.166 -3.107 7.163 1.00 23.44 H new ATOM 73 N PHE A 547 5.820 -8.863 7.082 1.00 1.10 N ATOM 74 CA PHE A 547 4.853 -9.505 7.957 1.00 45.24 C ATOM 75 C PHE A 547 5.551 -10.409 8.975 1.00 50.10 C ATOM 76 O PHE A 547 5.840 -11.569 8.685 1.00 12.14 O ATOM 77 CB PHE A 547 3.947 -10.360 7.070 1.00 71.45 C ATOM 78 CG PHE A 547 3.196 -9.567 5.999 1.00 53.24 C ATOM 79 CD1 PHE A 547 2.044 -8.917 6.316 1.00 20.04 C ATOM 80 CD2 PHE A 547 3.680 -9.511 4.729 1.00 72.12 C ATOM 81 CE1 PHE A 547 1.347 -8.180 5.322 1.00 31.45 C ATOM 82 CE2 PHE A 547 2.983 -8.775 3.735 1.00 53.50 C ATOM 83 CZ PHE A 547 1.831 -8.125 4.053 1.00 50.33 C ATOM 0 H PHE A 547 6.743 -9.298 7.074 1.00 1.10 H new ATOM 0 HA PHE A 547 4.290 -8.751 8.507 1.00 45.24 H new ATOM 0 HB2 PHE A 547 4.551 -11.126 6.584 1.00 71.45 H new ATOM 0 HB3 PHE A 547 3.223 -10.877 7.699 1.00 71.45 H new ATOM 0 HD1 PHE A 547 1.659 -8.961 7.324 1.00 20.04 H new ATOM 0 HD2 PHE A 547 4.595 -10.027 4.477 1.00 72.12 H new ATOM 0 HE1 PHE A 547 0.433 -7.663 5.574 1.00 31.45 H new ATOM 0 HE2 PHE A 547 3.367 -8.731 2.727 1.00 53.50 H new ATOM 0 HZ PHE A 547 1.301 -7.565 3.297 1.00 50.33 H new ATOM 93 N PRO A 548 5.808 -9.828 10.178 1.00 61.43 N ATOM 94 CA PRO A 548 6.466 -10.569 11.241 1.00 42.24 C ATOM 95 C PRO A 548 5.506 -11.568 11.889 1.00 13.31 C ATOM 96 O PRO A 548 4.360 -11.231 12.184 1.00 71.03 O ATOM 97 CB PRO A 548 6.963 -9.508 12.209 1.00 25.22 C ATOM 98 CG PRO A 548 6.167 -8.252 11.896 1.00 2.24 C ATOM 99 CD PRO A 548 5.480 -8.457 10.556 1.00 3.11 C ATOM 0 HA PRO A 548 7.294 -11.179 10.879 1.00 42.24 H new ATOM 0 HB2 PRO A 548 6.810 -9.820 13.242 1.00 25.22 H new ATOM 0 HB3 PRO A 548 8.032 -9.334 12.083 1.00 25.22 H new ATOM 0 HG2 PRO A 548 5.431 -8.062 12.677 1.00 2.24 H new ATOM 0 HG3 PRO A 548 6.824 -7.383 11.859 1.00 2.24 H new ATOM 0 HD2 PRO A 548 4.402 -8.316 10.638 1.00 3.11 H new ATOM 0 HD3 PRO A 548 5.839 -7.745 9.813 1.00 3.11 H new ATOM 107 N VAL A 549 6.008 -12.777 12.093 1.00 44.53 N ATOM 108 CA VAL A 549 5.209 -13.827 12.701 1.00 4.41 C ATOM 109 C VAL A 549 4.520 -13.277 13.951 1.00 33.24 C ATOM 110 O VAL A 549 3.350 -13.568 14.198 1.00 25.54 O ATOM 111 CB VAL A 549 6.083 -15.049 12.989 1.00 64.12 C ATOM 112 CG1 VAL A 549 6.593 -15.677 11.690 1.00 53.11 C ATOM 113 CG2 VAL A 549 7.246 -14.686 13.915 1.00 32.11 C ATOM 0 H VAL A 549 6.959 -13.053 11.848 1.00 44.53 H new ATOM 0 HA VAL A 549 4.427 -14.157 12.017 1.00 4.41 H new ATOM 0 HB VAL A 549 5.466 -15.789 13.500 1.00 64.12 H new ATOM 0 HG11 VAL A 549 7.212 -16.544 11.923 1.00 53.11 H new ATOM 0 HG12 VAL A 549 5.746 -15.990 11.080 1.00 53.11 H new ATOM 0 HG13 VAL A 549 7.186 -14.946 11.140 1.00 53.11 H new ATOM 0 HG21 VAL A 549 7.851 -15.573 14.104 1.00 32.11 H new ATOM 0 HG22 VAL A 549 7.861 -13.920 13.443 1.00 32.11 H new ATOM 0 HG23 VAL A 549 6.855 -14.306 14.859 1.00 32.11 H new ATOM 123 N GLU A 550 5.273 -12.492 14.707 1.00 22.12 N ATOM 124 CA GLU A 550 4.749 -11.899 15.926 1.00 61.31 C ATOM 125 C GLU A 550 3.484 -11.094 15.623 1.00 73.31 C ATOM 126 O GLU A 550 2.554 -11.067 16.427 1.00 13.05 O ATOM 127 CB GLU A 550 5.804 -11.026 16.609 1.00 71.34 C ATOM 128 CG GLU A 550 6.432 -10.047 15.615 1.00 61.22 C ATOM 129 CD GLU A 550 7.002 -8.824 16.336 1.00 15.21 C ATOM 130 OE1 GLU A 550 6.303 -7.810 16.483 1.00 32.03 O ATOM 131 OE2 GLU A 550 8.216 -8.952 16.752 1.00 32.31 O ATOM 0 H GLU A 550 6.242 -12.253 14.499 1.00 22.12 H new ATOM 0 HA GLU A 550 4.489 -12.703 16.615 1.00 61.31 H new ATOM 0 HB2 GLU A 550 5.348 -10.473 17.430 1.00 71.34 H new ATOM 0 HB3 GLU A 550 6.579 -11.658 17.042 1.00 71.34 H new ATOM 0 HG2 GLU A 550 7.224 -10.547 15.058 1.00 61.22 H new ATOM 0 HG3 GLU A 550 5.683 -9.730 14.889 1.00 61.22 H new ATOM 139 N HIS A 551 3.489 -10.458 14.461 1.00 64.54 N ATOM 140 CA HIS A 551 2.354 -9.655 14.041 1.00 35.05 C ATOM 141 C HIS A 551 1.291 -10.558 13.412 1.00 52.22 C ATOM 142 O HIS A 551 0.106 -10.226 13.419 1.00 62.44 O ATOM 143 CB HIS A 551 2.801 -8.527 13.110 1.00 15.40 C ATOM 144 CG HIS A 551 3.231 -7.271 13.830 1.00 43.35 C ATOM 145 ND1 HIS A 551 3.636 -6.127 13.164 1.00 55.41 N ATOM 146 CD2 HIS A 551 3.316 -6.991 15.162 1.00 73.31 C ATOM 147 CE1 HIS A 551 3.948 -5.207 14.065 1.00 52.21 C ATOM 148 NE2 HIS A 551 3.749 -5.745 15.303 1.00 44.24 N ATOM 0 H HIS A 551 4.262 -10.483 13.796 1.00 64.54 H new ATOM 0 HA HIS A 551 1.904 -9.173 14.909 1.00 35.05 H new ATOM 0 HB2 HIS A 551 3.628 -8.883 12.496 1.00 15.40 H new ATOM 0 HB3 HIS A 551 1.983 -8.283 12.432 1.00 15.40 H new ATOM 0 HD2 HIS A 551 3.072 -7.669 15.966 1.00 73.31 H new ATOM 0 HE1 HIS A 551 4.298 -4.207 13.856 1.00 52.21 H new ATOM 0 HE2 HIS A 551 3.907 -5.268 16.191 1.00 44.24 H new ATOM 156 N VAL A 552 1.753 -11.681 12.883 1.00 72.15 N ATOM 157 CA VAL A 552 0.857 -12.634 12.250 1.00 72.21 C ATOM 158 C VAL A 552 0.309 -13.593 13.309 1.00 62.21 C ATOM 159 O VAL A 552 1.073 -14.291 13.974 1.00 2.33 O ATOM 160 CB VAL A 552 1.579 -13.353 11.108 1.00 32.15 C ATOM 161 CG1 VAL A 552 0.740 -14.516 10.576 1.00 61.52 C ATOM 162 CG2 VAL A 552 1.938 -12.377 9.986 1.00 23.24 C ATOM 0 H VAL A 552 2.736 -11.953 12.880 1.00 72.15 H new ATOM 0 HA VAL A 552 0.005 -12.120 11.805 1.00 72.21 H new ATOM 0 HB VAL A 552 2.508 -13.764 11.504 1.00 32.15 H new ATOM 0 HG11 VAL A 552 1.276 -15.010 9.765 1.00 61.52 H new ATOM 0 HG12 VAL A 552 0.558 -15.230 11.379 1.00 61.52 H new ATOM 0 HG13 VAL A 552 -0.212 -14.138 10.204 1.00 61.52 H new ATOM 0 HG21 VAL A 552 2.450 -12.913 9.187 1.00 23.24 H new ATOM 0 HG22 VAL A 552 1.028 -11.923 9.593 1.00 23.24 H new ATOM 0 HG23 VAL A 552 2.592 -11.598 10.377 1.00 23.24 H new ATOM 172 N GLN A 553 -1.010 -13.597 13.432 1.00 21.21 N ATOM 173 CA GLN A 553 -1.669 -14.459 14.399 1.00 63.12 C ATOM 174 C GLN A 553 -2.475 -15.543 13.681 1.00 64.53 C ATOM 175 O GLN A 553 -3.069 -15.289 12.634 1.00 32.53 O ATOM 176 CB GLN A 553 -2.560 -13.646 15.340 1.00 20.50 C ATOM 177 CG GLN A 553 -3.145 -14.532 16.442 1.00 22.11 C ATOM 178 CD GLN A 553 -3.641 -13.688 17.618 1.00 31.30 C ATOM 179 OE1 GLN A 553 -3.153 -13.782 18.732 1.00 33.14 O ATOM 180 NE2 GLN A 553 -4.635 -12.861 17.309 1.00 54.14 N ATOM 0 H GLN A 553 -1.640 -13.017 12.878 1.00 21.21 H new ATOM 0 HA GLN A 553 -0.904 -14.944 15.005 1.00 63.12 H new ATOM 0 HB2 GLN A 553 -1.981 -12.838 15.787 1.00 20.50 H new ATOM 0 HB3 GLN A 553 -3.368 -13.184 14.773 1.00 20.50 H new ATOM 0 HG2 GLN A 553 -3.969 -15.122 16.040 1.00 22.11 H new ATOM 0 HG3 GLN A 553 -2.388 -15.236 16.788 1.00 22.11 H new ATOM 0 HE21 GLN A 553 -4.997 -12.832 16.356 1.00 54.14 H new ATOM 0 HE22 GLN A 553 -5.036 -12.255 18.025 1.00 54.14 H new ATOM 189 N LEU A 554 -2.468 -16.729 14.271 1.00 34.45 N ATOM 190 CA LEU A 554 -3.191 -17.853 13.701 1.00 35.42 C ATOM 191 C LEU A 554 -4.659 -17.778 14.126 1.00 74.12 C ATOM 192 O LEU A 554 -4.976 -17.916 15.306 1.00 23.15 O ATOM 193 CB LEU A 554 -2.511 -19.172 14.072 1.00 23.35 C ATOM 194 CG LEU A 554 -1.205 -19.484 13.337 1.00 14.54 C ATOM 195 CD1 LEU A 554 -1.040 -20.990 13.128 1.00 40.12 C ATOM 196 CD2 LEU A 554 -1.119 -18.709 12.021 1.00 54.21 C ATOM 0 H LEU A 554 -1.973 -16.936 15.138 1.00 34.45 H new ATOM 0 HA LEU A 554 -3.170 -17.806 12.612 1.00 35.42 H new ATOM 0 HB2 LEU A 554 -2.309 -19.165 15.143 1.00 23.35 H new ATOM 0 HB3 LEU A 554 -3.213 -19.985 13.885 1.00 23.35 H new ATOM 0 HG LEU A 554 -0.374 -19.153 13.960 1.00 14.54 H new ATOM 0 HD11 LEU A 554 -0.104 -21.184 12.604 1.00 40.12 H new ATOM 0 HD12 LEU A 554 -1.025 -21.492 14.095 1.00 40.12 H new ATOM 0 HD13 LEU A 554 -1.873 -21.369 12.536 1.00 40.12 H new ATOM 0 HD21 LEU A 554 -0.182 -18.948 11.518 1.00 54.21 H new ATOM 0 HD22 LEU A 554 -1.956 -18.986 11.380 1.00 54.21 H new ATOM 0 HD23 LEU A 554 -1.158 -17.639 12.226 1.00 54.21 H new ATOM 208 N LEU A 555 -5.517 -17.560 13.140 1.00 50.42 N ATOM 209 CA LEU A 555 -6.944 -17.464 13.396 1.00 30.34 C ATOM 210 C LEU A 555 -7.699 -18.326 12.382 1.00 22.45 C ATOM 211 O LEU A 555 -7.116 -18.971 11.511 1.00 54.54 O ATOM 212 CB LEU A 555 -7.389 -16.001 13.411 1.00 12.43 C ATOM 213 CG LEU A 555 -6.362 -14.992 13.931 1.00 72.43 C ATOM 214 CD1 LEU A 555 -5.870 -14.081 12.804 1.00 33.35 C ATOM 215 CD2 LEU A 555 -6.924 -14.195 15.109 1.00 14.31 C ATOM 0 H LEU A 555 -5.251 -17.447 12.162 1.00 50.42 H new ATOM 0 HA LEU A 555 -7.180 -17.855 14.386 1.00 30.34 H new ATOM 0 HB2 LEU A 555 -7.667 -15.716 12.396 1.00 12.43 H new ATOM 0 HB3 LEU A 555 -8.288 -15.922 14.022 1.00 12.43 H new ATOM 0 HG LEU A 555 -5.497 -15.544 14.300 1.00 72.43 H new ATOM 0 HD11 LEU A 555 -5.141 -13.374 13.200 1.00 33.35 H new ATOM 0 HD12 LEU A 555 -5.404 -14.685 12.025 1.00 33.35 H new ATOM 0 HD13 LEU A 555 -6.714 -13.535 12.383 1.00 33.35 H new ATOM 0 HD21 LEU A 555 -6.174 -13.486 15.459 1.00 14.31 H new ATOM 0 HD22 LEU A 555 -7.815 -13.654 14.790 1.00 14.31 H new ATOM 0 HD23 LEU A 555 -7.184 -14.877 15.919 1.00 14.31 H new ATOM 227 N CYS A 556 -9.021 -18.324 12.517 1.00 34.23 N ATOM 228 CA CYS A 556 -9.882 -19.096 11.629 1.00 13.23 C ATOM 229 C CYS A 556 -10.641 -18.179 10.674 1.00 35.14 C ATOM 230 O CYS A 556 -11.589 -17.520 11.099 1.00 11.21 O ATOM 231 CB CYS A 556 -10.871 -19.933 12.443 1.00 25.21 C ATOM 232 SG CYS A 556 -11.725 -21.221 11.478 1.00 50.55 S ATOM 0 H CYS A 556 -9.520 -17.796 13.233 1.00 34.23 H new ATOM 0 HA CYS A 556 -9.251 -19.762 11.041 1.00 13.23 H new ATOM 0 HB2 CYS A 556 -10.338 -20.406 13.268 1.00 25.21 H new ATOM 0 HB3 CYS A 556 -11.616 -19.270 12.883 1.00 25.21 H new ATOM 237 N ILE A 557 -10.214 -18.157 9.421 1.00 41.04 N ATOM 238 CA ILE A 557 -10.860 -17.320 8.424 1.00 34.21 C ATOM 239 C ILE A 557 -12.371 -17.319 8.667 1.00 20.34 C ATOM 240 O ILE A 557 -13.043 -16.320 8.418 1.00 40.22 O ATOM 241 CB ILE A 557 -10.465 -17.763 7.014 1.00 21.41 C ATOM 242 CG1 ILE A 557 -11.437 -18.816 6.477 1.00 21.24 C ATOM 243 CG2 ILE A 557 -9.015 -18.251 6.979 1.00 11.11 C ATOM 244 CD1 ILE A 557 -11.114 -19.170 5.024 1.00 15.22 C ATOM 0 H ILE A 557 -9.428 -18.706 9.072 1.00 41.04 H new ATOM 0 HA ILE A 557 -10.521 -16.288 8.516 1.00 34.21 H new ATOM 0 HB ILE A 557 -10.530 -16.898 6.354 1.00 21.41 H new ATOM 0 HG12 ILE A 557 -11.384 -19.713 7.094 1.00 21.24 H new ATOM 0 HG13 ILE A 557 -12.458 -18.442 6.545 1.00 21.24 H new ATOM 0 HG21 ILE A 557 -8.759 -18.560 5.965 1.00 11.11 H new ATOM 0 HG22 ILE A 557 -8.352 -17.444 7.290 1.00 11.11 H new ATOM 0 HG23 ILE A 557 -8.899 -19.097 7.656 1.00 11.11 H new ATOM 0 HD11 ILE A 557 -11.819 -19.920 4.667 1.00 15.22 H new ATOM 0 HD12 ILE A 557 -11.191 -18.276 4.406 1.00 15.22 H new ATOM 0 HD13 ILE A 557 -10.101 -19.567 4.963 1.00 15.22 H new ATOM 256 N ASN A 558 -12.861 -18.451 9.152 1.00 63.12 N ATOM 257 CA ASN A 558 -14.279 -18.594 9.432 1.00 54.53 C ATOM 258 C ASN A 558 -14.584 -18.008 10.812 1.00 22.31 C ATOM 259 O ASN A 558 -15.524 -17.231 10.967 1.00 12.21 O ATOM 260 CB ASN A 558 -14.694 -20.066 9.441 1.00 61.23 C ATOM 261 CG ASN A 558 -15.076 -20.537 8.036 1.00 50.11 C ATOM 262 OD1 ASN A 558 -14.723 -19.936 7.034 1.00 31.14 O ATOM 263 ND2 ASN A 558 -15.815 -21.642 8.018 1.00 32.42 N ATOM 0 H ASN A 558 -12.300 -19.278 9.358 1.00 63.12 H new ATOM 0 HA ASN A 558 -14.831 -18.069 8.652 1.00 54.53 H new ATOM 0 HB2 ASN A 558 -13.875 -20.676 9.823 1.00 61.23 H new ATOM 0 HB3 ASN A 558 -15.538 -20.206 10.117 1.00 61.23 H new ATOM 0 HD21 ASN A 558 -16.121 -22.036 7.129 1.00 32.42 H new ATOM 0 HD22 ASN A 558 -16.076 -22.096 8.894 1.00 32.42 H new ATOM 270 N CYS A 559 -13.770 -18.404 11.780 1.00 73.50 N ATOM 271 CA CYS A 559 -13.941 -17.929 13.142 1.00 3.14 C ATOM 272 C CYS A 559 -12.634 -17.269 13.588 1.00 53.12 C ATOM 273 O CYS A 559 -11.923 -17.803 14.438 1.00 55.40 O ATOM 274 CB CYS A 559 -14.361 -19.057 14.087 1.00 52.13 C ATOM 275 SG CYS A 559 -15.234 -20.448 13.280 1.00 54.13 S ATOM 0 H CYS A 559 -12.990 -19.048 11.648 1.00 73.50 H new ATOM 0 HA CYS A 559 -14.748 -17.197 13.175 1.00 3.14 H new ATOM 0 HB2 CYS A 559 -13.472 -19.444 14.586 1.00 52.13 H new ATOM 0 HB3 CYS A 559 -15.006 -18.642 14.862 1.00 52.13 H new ATOM 280 N MET A 560 -12.358 -16.118 12.993 1.00 4.44 N ATOM 281 CA MET A 560 -11.149 -15.379 13.318 1.00 31.13 C ATOM 282 C MET A 560 -11.157 -14.930 14.781 1.00 55.11 C ATOM 283 O MET A 560 -11.308 -13.744 15.069 1.00 44.52 O ATOM 284 CB MET A 560 -11.039 -14.154 12.408 1.00 12.05 C ATOM 285 CG MET A 560 -11.091 -14.560 10.934 1.00 1.31 C ATOM 286 SD MET A 560 -11.682 -13.196 9.946 1.00 15.21 S ATOM 287 CE MET A 560 -13.262 -13.848 9.431 1.00 31.32 C ATOM 0 H MET A 560 -12.950 -15.679 12.288 1.00 4.44 H new ATOM 0 HA MET A 560 -10.292 -16.035 13.164 1.00 31.13 H new ATOM 0 HB2 MET A 560 -11.851 -13.460 12.627 1.00 12.05 H new ATOM 0 HB3 MET A 560 -10.106 -13.628 12.611 1.00 12.05 H new ATOM 0 HG2 MET A 560 -10.100 -14.862 10.596 1.00 1.31 H new ATOM 0 HG3 MET A 560 -11.747 -15.422 10.808 1.00 1.31 H new ATOM 0 HE1 MET A 560 -13.211 -14.139 8.382 1.00 31.32 H new ATOM 0 HE2 MET A 560 -13.511 -14.719 10.037 1.00 31.32 H new ATOM 0 HE3 MET A 560 -14.030 -13.085 9.559 1.00 31.32 H new ATOM 297 N VAL A 561 -10.994 -15.902 15.666 1.00 34.11 N ATOM 298 CA VAL A 561 -10.981 -15.622 17.092 1.00 53.32 C ATOM 299 C VAL A 561 -9.580 -15.885 17.646 1.00 22.22 C ATOM 300 O VAL A 561 -9.351 -15.764 18.849 1.00 51.24 O ATOM 301 CB VAL A 561 -12.066 -16.439 17.796 1.00 72.20 C ATOM 302 CG1 VAL A 561 -13.264 -16.671 16.873 1.00 62.24 C ATOM 303 CG2 VAL A 561 -11.505 -17.766 18.311 1.00 72.44 C ATOM 0 H VAL A 561 -10.870 -16.885 15.423 1.00 34.11 H new ATOM 0 HA VAL A 561 -11.212 -14.573 17.277 1.00 53.32 H new ATOM 0 HB VAL A 561 -12.412 -15.865 18.656 1.00 72.20 H new ATOM 0 HG11 VAL A 561 -14.020 -17.254 17.398 1.00 62.24 H new ATOM 0 HG12 VAL A 561 -13.687 -15.711 16.577 1.00 62.24 H new ATOM 0 HG13 VAL A 561 -12.939 -17.214 15.985 1.00 62.24 H new ATOM 0 HG21 VAL A 561 -12.297 -18.328 18.807 1.00 72.44 H new ATOM 0 HG22 VAL A 561 -11.118 -18.347 17.474 1.00 72.44 H new ATOM 0 HG23 VAL A 561 -10.700 -17.570 19.019 1.00 72.44 H new ATOM 313 N ALA A 562 -8.678 -16.241 16.743 1.00 52.11 N ATOM 314 CA ALA A 562 -7.305 -16.523 17.127 1.00 53.55 C ATOM 315 C ALA A 562 -7.242 -17.890 17.810 1.00 65.14 C ATOM 316 O ALA A 562 -7.651 -18.033 18.961 1.00 52.34 O ATOM 317 CB ALA A 562 -6.785 -15.398 18.024 1.00 43.23 C ATOM 0 H ALA A 562 -8.871 -16.341 15.746 1.00 52.11 H new ATOM 0 HA ALA A 562 -6.661 -16.564 16.249 1.00 53.55 H new ATOM 0 HB1 ALA A 562 -5.755 -15.609 18.312 1.00 43.23 H new ATOM 0 HB2 ALA A 562 -6.824 -14.453 17.482 1.00 43.23 H new ATOM 0 HB3 ALA A 562 -7.405 -15.329 18.918 1.00 43.23 H new ATOM 323 N VAL A 563 -6.725 -18.861 17.071 1.00 25.23 N ATOM 324 CA VAL A 563 -6.602 -20.212 17.591 1.00 22.45 C ATOM 325 C VAL A 563 -5.140 -20.484 17.953 1.00 72.30 C ATOM 326 O VAL A 563 -4.825 -21.514 18.548 1.00 74.04 O ATOM 327 CB VAL A 563 -7.164 -21.215 16.582 1.00 54.12 C ATOM 328 CG1 VAL A 563 -8.688 -21.308 16.692 1.00 25.02 C ATOM 329 CG2 VAL A 563 -6.739 -20.855 15.157 1.00 62.42 C ATOM 0 H VAL A 563 -6.387 -18.739 16.117 1.00 25.23 H new ATOM 0 HA VAL A 563 -7.189 -20.325 18.502 1.00 22.45 H new ATOM 0 HB VAL A 563 -6.750 -22.195 16.818 1.00 54.12 H new ATOM 0 HG11 VAL A 563 -9.062 -22.028 15.964 1.00 25.02 H new ATOM 0 HG12 VAL A 563 -8.961 -21.632 17.696 1.00 25.02 H new ATOM 0 HG13 VAL A 563 -9.127 -20.330 16.494 1.00 25.02 H new ATOM 0 HG21 VAL A 563 -7.152 -21.584 14.459 1.00 62.42 H new ATOM 0 HG22 VAL A 563 -7.111 -19.862 14.906 1.00 62.42 H new ATOM 0 HG23 VAL A 563 -5.651 -20.863 15.089 1.00 62.42 H new ATOM 339 N GLY A 564 -4.286 -19.543 17.579 1.00 54.13 N ATOM 340 CA GLY A 564 -2.866 -19.668 17.856 1.00 24.10 C ATOM 341 C GLY A 564 -2.108 -18.416 17.411 1.00 3.41 C ATOM 342 O GLY A 564 -2.708 -17.361 17.210 1.00 0.03 O ATOM 0 H GLY A 564 -4.551 -18.690 17.086 1.00 54.13 H new ATOM 0 HA2 GLY A 564 -2.713 -19.830 18.923 1.00 24.10 H new ATOM 0 HA3 GLY A 564 -2.467 -20.542 17.340 1.00 24.10 H new ATOM 346 N HIS A 565 -0.800 -18.573 17.270 1.00 23.21 N ATOM 347 CA HIS A 565 0.046 -17.468 16.853 1.00 65.24 C ATOM 348 C HIS A 565 0.882 -17.890 15.642 1.00 32.32 C ATOM 349 O HIS A 565 1.265 -19.053 15.523 1.00 41.01 O ATOM 350 CB HIS A 565 0.902 -16.969 18.018 1.00 1.34 C ATOM 351 CG HIS A 565 0.179 -16.027 18.952 1.00 40.04 C ATOM 352 ND1 HIS A 565 -0.876 -16.428 19.752 1.00 75.22 N ATOM 353 CD2 HIS A 565 0.371 -14.700 19.204 1.00 21.40 C ATOM 354 CE1 HIS A 565 -1.294 -15.382 20.449 1.00 3.03 C ATOM 355 NE2 HIS A 565 -0.520 -14.312 20.108 1.00 23.01 N ATOM 0 H HIS A 565 -0.305 -19.449 17.437 1.00 23.21 H new ATOM 0 HA HIS A 565 -0.575 -16.626 16.547 1.00 65.24 H new ATOM 0 HB2 HIS A 565 1.258 -17.827 18.588 1.00 1.34 H new ATOM 0 HB3 HIS A 565 1.782 -16.464 17.619 1.00 1.34 H new ATOM 0 HD2 HIS A 565 1.121 -14.072 18.746 1.00 21.40 H new ATOM 0 HE1 HIS A 565 -2.105 -15.377 21.162 1.00 3.03 H new ATOM 0 HE2 HIS A 565 -0.611 -13.369 20.486 1.00 23.01 H new ATOM 363 N GLY A 566 1.139 -16.922 14.775 1.00 63.51 N ATOM 364 CA GLY A 566 1.922 -17.179 13.578 1.00 41.01 C ATOM 365 C GLY A 566 3.401 -17.370 13.920 1.00 20.45 C ATOM 366 O GLY A 566 4.194 -17.762 13.066 1.00 42.12 O ATOM 0 H GLY A 566 0.819 -15.959 14.877 1.00 63.51 H new ATOM 0 HA2 GLY A 566 1.543 -18.069 13.076 1.00 41.01 H new ATOM 0 HA3 GLY A 566 1.811 -16.348 12.881 1.00 41.01 H new ATOM 370 N SER A 567 3.727 -17.085 15.173 1.00 62.25 N ATOM 371 CA SER A 567 5.097 -17.221 15.639 1.00 73.04 C ATOM 372 C SER A 567 5.210 -18.414 16.590 1.00 52.00 C ATOM 373 O SER A 567 6.234 -18.594 17.247 1.00 11.31 O ATOM 374 CB SER A 567 5.572 -15.943 16.332 1.00 51.43 C ATOM 375 OG SER A 567 6.982 -15.938 16.535 1.00 24.33 O ATOM 0 H SER A 567 3.066 -16.761 15.879 1.00 62.25 H new ATOM 0 HA SER A 567 5.737 -17.392 14.774 1.00 73.04 H new ATOM 0 HB2 SER A 567 5.289 -15.078 15.731 1.00 51.43 H new ATOM 0 HB3 SER A 567 5.067 -15.843 17.293 1.00 51.43 H new ATOM 0 HG SER A 567 7.272 -16.824 16.836 1.00 24.33 H new ATOM 381 N ASP A 568 4.143 -19.199 16.633 1.00 0.54 N ATOM 382 CA ASP A 568 4.110 -20.369 17.493 1.00 35.33 C ATOM 383 C ASP A 568 4.120 -21.632 16.629 1.00 1.12 C ATOM 384 O ASP A 568 4.576 -22.686 17.070 1.00 70.04 O ATOM 385 CB ASP A 568 2.839 -20.390 18.346 1.00 63.42 C ATOM 386 CG ASP A 568 2.972 -21.115 19.687 1.00 44.31 C ATOM 387 OD1 ASP A 568 2.824 -20.508 20.758 1.00 50.10 O ATOM 388 OD2 ASP A 568 3.244 -22.373 19.602 1.00 3.13 O ATOM 0 H ASP A 568 3.295 -19.047 16.086 1.00 0.54 H new ATOM 0 HA ASP A 568 4.982 -20.333 18.146 1.00 35.33 H new ATOM 0 HB2 ASP A 568 2.529 -19.362 18.535 1.00 63.42 H new ATOM 0 HB3 ASP A 568 2.042 -20.863 17.772 1.00 63.42 H new ATOM 394 N LEU A 569 3.612 -21.483 15.415 1.00 63.34 N ATOM 395 CA LEU A 569 3.558 -22.599 14.485 1.00 55.43 C ATOM 396 C LEU A 569 4.940 -22.809 13.865 1.00 45.41 C ATOM 397 O LEU A 569 5.809 -21.944 13.968 1.00 12.43 O ATOM 398 CB LEU A 569 2.448 -22.383 13.454 1.00 52.42 C ATOM 399 CG LEU A 569 2.493 -21.059 12.687 1.00 30.21 C ATOM 400 CD1 LEU A 569 3.934 -20.577 12.510 1.00 61.34 C ATOM 401 CD2 LEU A 569 1.759 -21.175 11.350 1.00 55.01 C ATOM 0 H LEU A 569 3.234 -20.607 15.053 1.00 63.34 H new ATOM 0 HA LEU A 569 3.301 -23.519 15.009 1.00 55.43 H new ATOM 0 HB2 LEU A 569 2.485 -23.199 12.733 1.00 52.42 H new ATOM 0 HB3 LEU A 569 1.487 -22.452 13.964 1.00 52.42 H new ATOM 0 HG LEU A 569 1.971 -20.305 13.276 1.00 30.21 H new ATOM 0 HD11 LEU A 569 3.938 -19.635 11.962 1.00 61.34 H new ATOM 0 HD12 LEU A 569 4.391 -20.430 13.488 1.00 61.34 H new ATOM 0 HD13 LEU A 569 4.501 -21.323 11.953 1.00 61.34 H new ATOM 0 HD21 LEU A 569 1.806 -20.221 10.825 1.00 55.01 H new ATOM 0 HD22 LEU A 569 2.230 -21.947 10.742 1.00 55.01 H new ATOM 0 HD23 LEU A 569 0.717 -21.440 11.529 1.00 55.01 H new ATOM 413 N ARG A 570 5.102 -23.963 13.234 1.00 1.53 N ATOM 414 CA ARG A 570 6.365 -24.297 12.598 1.00 73.22 C ATOM 415 C ARG A 570 6.175 -25.460 11.622 1.00 24.41 C ATOM 416 O ARG A 570 5.296 -26.299 11.813 1.00 12.33 O ATOM 417 CB ARG A 570 7.421 -24.679 13.637 1.00 41.43 C ATOM 418 CG ARG A 570 7.997 -23.434 14.315 1.00 23.22 C ATOM 419 CD ARG A 570 9.398 -23.709 14.867 1.00 72.24 C ATOM 420 NE ARG A 570 9.643 -22.875 16.064 1.00 0.11 N ATOM 421 CZ ARG A 570 8.990 -23.023 17.236 1.00 1.04 C ATOM 422 NH1 ARG A 570 8.045 -23.976 17.379 1.00 60.54 N ATOM 423 NH2 ARG A 570 9.290 -22.221 18.242 1.00 75.45 N ATOM 0 H ARG A 570 4.380 -24.678 13.150 1.00 1.53 H new ATOM 0 HA ARG A 570 6.708 -23.415 12.056 1.00 73.22 H new ATOM 0 HB2 ARG A 570 6.978 -25.334 14.387 1.00 41.43 H new ATOM 0 HB3 ARG A 570 8.223 -25.240 13.157 1.00 41.43 H new ATOM 0 HG2 ARG A 570 8.039 -22.612 13.600 1.00 23.22 H new ATOM 0 HG3 ARG A 570 7.339 -23.119 15.124 1.00 23.22 H new ATOM 0 HD2 ARG A 570 9.497 -24.764 15.122 1.00 72.24 H new ATOM 0 HD3 ARG A 570 10.147 -23.494 14.105 1.00 72.24 H new ATOM 0 HE ARG A 570 10.350 -22.142 16.000 1.00 0.11 H new ATOM 0 HH11 ARG A 570 7.819 -24.592 16.598 1.00 60.54 H new ATOM 0 HH12 ARG A 570 7.557 -24.081 18.268 1.00 60.54 H new ATOM 0 HH21 ARG A 570 10.006 -21.503 18.126 1.00 75.45 H new ATOM 0 HH22 ARG A 570 8.806 -22.319 19.134 1.00 75.45 H new ATOM 436 N LYS A 571 7.015 -25.474 10.597 1.00 21.14 N ATOM 437 CA LYS A 571 6.951 -26.521 9.591 1.00 3.44 C ATOM 438 C LYS A 571 7.522 -27.816 10.173 1.00 75.05 C ATOM 439 O LYS A 571 8.279 -27.785 11.141 1.00 31.53 O ATOM 440 CB LYS A 571 7.642 -26.068 8.303 1.00 34.31 C ATOM 441 CG LYS A 571 6.990 -26.711 7.077 1.00 15.40 C ATOM 442 CD LYS A 571 7.434 -26.012 5.790 1.00 13.35 C ATOM 443 CE LYS A 571 7.234 -24.498 5.892 1.00 64.10 C ATOM 444 NZ LYS A 571 7.086 -23.903 4.545 1.00 73.52 N ATOM 0 H LYS A 571 7.743 -24.777 10.442 1.00 21.14 H new ATOM 0 HA LYS A 571 5.916 -26.724 9.316 1.00 3.44 H new ATOM 0 HB2 LYS A 571 7.590 -24.982 8.220 1.00 34.31 H new ATOM 0 HB3 LYS A 571 8.698 -26.334 8.340 1.00 34.31 H new ATOM 0 HG2 LYS A 571 7.255 -27.767 7.032 1.00 15.40 H new ATOM 0 HG3 LYS A 571 5.905 -26.658 7.168 1.00 15.40 H new ATOM 0 HD2 LYS A 571 8.484 -26.232 5.596 1.00 13.35 H new ATOM 0 HD3 LYS A 571 6.866 -26.402 4.945 1.00 13.35 H new ATOM 0 HE2 LYS A 571 6.349 -24.282 6.491 1.00 64.10 H new ATOM 0 HE3 LYS A 571 8.084 -24.047 6.404 1.00 64.10 H new ATOM 0 HZ1 LYS A 571 6.656 -22.960 4.628 1.00 73.52 H new ATOM 0 HZ2 LYS A 571 8.021 -23.820 4.098 1.00 73.52 H new ATOM 0 HZ3 LYS A 571 6.476 -24.511 3.962 1.00 73.52 H new ATOM 457 N VAL A 572 7.136 -28.924 9.556 1.00 13.42 N ATOM 458 CA VAL A 572 7.599 -30.227 10.000 1.00 21.32 C ATOM 459 C VAL A 572 8.767 -30.676 9.119 1.00 75.10 C ATOM 460 O VAL A 572 8.559 -31.169 8.011 1.00 1.22 O ATOM 461 CB VAL A 572 6.437 -31.222 10.005 1.00 74.22 C ATOM 462 CG1 VAL A 572 6.944 -32.658 9.862 1.00 72.55 C ATOM 463 CG2 VAL A 572 5.585 -31.064 11.266 1.00 21.42 C ATOM 0 H VAL A 572 6.508 -28.945 8.753 1.00 13.42 H new ATOM 0 HA VAL A 572 7.967 -30.173 11.025 1.00 21.32 H new ATOM 0 HB VAL A 572 5.805 -31.003 9.144 1.00 74.22 H new ATOM 0 HG11 VAL A 572 6.098 -33.345 9.869 1.00 72.55 H new ATOM 0 HG12 VAL A 572 7.487 -32.760 8.923 1.00 72.55 H new ATOM 0 HG13 VAL A 572 7.609 -32.894 10.693 1.00 72.55 H new ATOM 0 HG21 VAL A 572 4.766 -31.783 11.244 1.00 21.42 H new ATOM 0 HG22 VAL A 572 6.202 -31.243 12.147 1.00 21.42 H new ATOM 0 HG23 VAL A 572 5.179 -30.053 11.307 1.00 21.42 H new ATOM 473 N GLU A 573 9.968 -30.490 9.644 1.00 5.52 N ATOM 474 CA GLU A 573 11.169 -30.869 8.919 1.00 22.01 C ATOM 475 C GLU A 573 11.085 -30.395 7.467 1.00 14.50 C ATOM 476 O GLU A 573 11.717 -30.972 6.584 1.00 75.02 O ATOM 477 CB GLU A 573 11.398 -32.380 8.990 1.00 73.23 C ATOM 478 CG GLU A 573 10.326 -33.134 8.199 1.00 24.22 C ATOM 479 CD GLU A 573 10.780 -34.561 7.884 1.00 44.11 C ATOM 480 OE1 GLU A 573 9.962 -35.394 7.467 1.00 50.01 O ATOM 481 OE2 GLU A 573 12.034 -34.791 8.085 1.00 35.53 O ATOM 0 H GLU A 573 10.136 -30.082 10.563 1.00 5.52 H new ATOM 0 HA GLU A 573 12.023 -30.382 9.390 1.00 22.01 H new ATOM 0 HB2 GLU A 573 12.384 -32.621 8.594 1.00 73.23 H new ATOM 0 HB3 GLU A 573 11.384 -32.705 10.030 1.00 73.23 H new ATOM 0 HG2 GLU A 573 9.399 -33.161 8.771 1.00 24.22 H new ATOM 0 HG3 GLU A 573 10.113 -32.603 7.271 1.00 24.22 H new ATOM 489 N GLY A 574 10.299 -29.347 7.265 1.00 33.20 N ATOM 490 CA GLY A 574 10.123 -28.789 5.935 1.00 3.52 C ATOM 491 C GLY A 574 9.205 -29.671 5.086 1.00 3.45 C ATOM 492 O GLY A 574 9.464 -29.884 3.903 1.00 21.31 O ATOM 0 H GLY A 574 9.777 -28.870 8.000 1.00 33.20 H new ATOM 0 HA2 GLY A 574 9.702 -27.787 6.010 1.00 3.52 H new ATOM 0 HA3 GLY A 574 11.093 -28.691 5.447 1.00 3.52 H new ATOM 496 N THR A 575 8.152 -30.159 5.724 1.00 32.03 N ATOM 497 CA THR A 575 7.194 -31.013 5.043 1.00 71.12 C ATOM 498 C THR A 575 5.838 -30.313 4.933 1.00 2.54 C ATOM 499 O THR A 575 5.462 -29.844 3.860 1.00 61.41 O ATOM 500 CB THR A 575 7.131 -32.345 5.793 1.00 72.13 C ATOM 501 OG1 THR A 575 8.394 -32.951 5.532 1.00 40.43 O ATOM 502 CG2 THR A 575 6.119 -33.315 5.179 1.00 31.14 C ATOM 0 H THR A 575 7.941 -29.979 6.706 1.00 32.03 H new ATOM 0 HA THR A 575 7.504 -31.215 4.018 1.00 71.12 H new ATOM 0 HB THR A 575 6.873 -32.162 6.836 1.00 72.13 H new ATOM 0 HG1 THR A 575 8.439 -33.820 5.983 1.00 40.43 H new ATOM 0 HG21 THR A 575 6.114 -34.244 5.749 1.00 31.14 H new ATOM 0 HG22 THR A 575 5.125 -32.868 5.204 1.00 31.14 H new ATOM 0 HG23 THR A 575 6.396 -33.524 4.146 1.00 31.14 H new ATOM 510 N HIS A 576 5.141 -30.263 6.059 1.00 4.42 N ATOM 511 CA HIS A 576 3.835 -29.627 6.103 1.00 24.04 C ATOM 512 C HIS A 576 3.816 -28.571 7.210 1.00 41.40 C ATOM 513 O HIS A 576 4.800 -28.401 7.929 1.00 74.30 O ATOM 514 CB HIS A 576 2.728 -30.671 6.261 1.00 23.10 C ATOM 515 CG HIS A 576 2.343 -31.357 4.972 1.00 61.10 C ATOM 516 ND1 HIS A 576 2.518 -32.714 4.764 1.00 61.14 N ATOM 517 CD2 HIS A 576 1.790 -30.860 3.829 1.00 72.13 C ATOM 518 CE1 HIS A 576 2.087 -33.009 3.546 1.00 22.20 C ATOM 519 NE2 HIS A 576 1.637 -31.859 2.968 1.00 14.20 N ATOM 0 H HIS A 576 5.456 -30.652 6.948 1.00 4.42 H new ATOM 0 HA HIS A 576 3.642 -29.117 5.159 1.00 24.04 H new ATOM 0 HB2 HIS A 576 3.053 -31.424 6.979 1.00 23.10 H new ATOM 0 HB3 HIS A 576 1.846 -30.189 6.682 1.00 23.10 H new ATOM 0 HD2 HIS A 576 1.522 -29.829 3.654 1.00 72.13 H new ATOM 0 HE1 HIS A 576 2.091 -33.988 3.091 1.00 22.20 H new ATOM 0 HE2 HIS A 576 1.247 -31.779 2.029 1.00 14.20 H new ATOM 527 N HIS A 577 2.686 -27.887 7.312 1.00 75.32 N ATOM 528 CA HIS A 577 2.525 -26.852 8.319 1.00 51.15 C ATOM 529 C HIS A 577 1.713 -27.400 9.494 1.00 62.42 C ATOM 530 O HIS A 577 0.631 -27.952 9.302 1.00 72.23 O ATOM 531 CB HIS A 577 1.908 -25.592 7.708 1.00 33.03 C ATOM 532 CG HIS A 577 2.914 -24.660 7.076 1.00 15.32 C ATOM 533 ND1 HIS A 577 3.381 -24.826 5.784 1.00 1.22 N ATOM 534 CD2 HIS A 577 3.535 -23.551 7.571 1.00 54.31 C ATOM 535 CE1 HIS A 577 4.245 -23.855 5.524 1.00 32.50 C ATOM 536 NE2 HIS A 577 4.339 -23.067 6.633 1.00 50.42 N ATOM 0 H HIS A 577 1.873 -28.029 6.713 1.00 75.32 H new ATOM 0 HA HIS A 577 3.502 -26.559 8.704 1.00 51.15 H new ATOM 0 HB2 HIS A 577 1.177 -25.886 6.955 1.00 33.03 H new ATOM 0 HB3 HIS A 577 1.366 -25.052 8.484 1.00 33.03 H new ATOM 0 HD1 HIS A 577 3.107 -25.569 5.141 1.00 1.22 H new ATOM 0 HD2 HIS A 577 3.396 -23.137 8.559 1.00 54.31 H new ATOM 0 HE1 HIS A 577 4.780 -23.713 4.597 1.00 32.50 H new ATOM 544 N VAL A 578 2.267 -27.229 10.685 1.00 64.40 N ATOM 545 CA VAL A 578 1.609 -27.700 11.891 1.00 34.45 C ATOM 546 C VAL A 578 1.837 -26.692 13.019 1.00 50.40 C ATOM 547 O VAL A 578 2.958 -26.538 13.501 1.00 0.52 O ATOM 548 CB VAL A 578 2.098 -29.107 12.240 1.00 62.41 C ATOM 549 CG1 VAL A 578 1.918 -30.059 11.056 1.00 62.42 C ATOM 550 CG2 VAL A 578 3.555 -29.081 12.706 1.00 63.11 C ATOM 0 H VAL A 578 3.165 -26.770 10.840 1.00 64.40 H new ATOM 0 HA VAL A 578 0.533 -27.774 11.733 1.00 34.45 H new ATOM 0 HB VAL A 578 1.489 -29.479 13.064 1.00 62.41 H new ATOM 0 HG11 VAL A 578 2.273 -31.052 11.330 1.00 62.42 H new ATOM 0 HG12 VAL A 578 0.863 -30.112 10.789 1.00 62.42 H new ATOM 0 HG13 VAL A 578 2.490 -29.692 10.204 1.00 62.42 H new ATOM 0 HG21 VAL A 578 3.878 -30.094 12.948 1.00 63.11 H new ATOM 0 HG22 VAL A 578 4.184 -28.680 11.911 1.00 63.11 H new ATOM 0 HG23 VAL A 578 3.643 -28.451 13.591 1.00 63.11 H new ATOM 560 N ASN A 579 0.756 -26.031 13.406 1.00 1.25 N ATOM 561 CA ASN A 579 0.824 -25.041 14.468 1.00 24.12 C ATOM 562 C ASN A 579 0.790 -25.750 15.824 1.00 74.35 C ATOM 563 O ASN A 579 -0.235 -26.312 16.208 1.00 1.00 O ATOM 564 CB ASN A 579 -0.366 -24.083 14.405 1.00 14.33 C ATOM 565 CG ASN A 579 -0.495 -23.282 15.703 1.00 70.12 C ATOM 566 OD1 ASN A 579 -1.580 -22.964 16.161 1.00 1.23 O ATOM 567 ND2 ASN A 579 0.670 -22.975 16.267 1.00 74.51 N ATOM 0 H ASN A 579 -0.172 -26.161 13.003 1.00 1.25 H new ATOM 0 HA ASN A 579 1.748 -24.476 14.344 1.00 24.12 H new ATOM 0 HB2 ASN A 579 -0.244 -23.401 13.563 1.00 14.33 H new ATOM 0 HB3 ASN A 579 -1.282 -24.647 14.229 1.00 14.33 H new ATOM 0 HD21 ASN A 579 0.691 -22.442 17.136 1.00 74.51 H new ATOM 0 HD22 ASN A 579 1.542 -23.273 15.830 1.00 74.51 H new ATOM 574 N VAL A 580 1.921 -25.701 16.510 1.00 25.24 N ATOM 575 CA VAL A 580 2.033 -26.332 17.815 1.00 44.04 C ATOM 576 C VAL A 580 1.388 -25.431 18.869 1.00 14.11 C ATOM 577 O VAL A 580 1.571 -24.215 18.848 1.00 53.21 O ATOM 578 CB VAL A 580 3.499 -26.651 18.117 1.00 33.44 C ATOM 579 CG1 VAL A 580 3.613 -27.716 19.211 1.00 43.45 C ATOM 580 CG2 VAL A 580 4.239 -27.085 16.850 1.00 15.23 C ATOM 0 H VAL A 580 2.769 -25.234 16.188 1.00 25.24 H new ATOM 0 HA VAL A 580 1.498 -27.282 17.828 1.00 44.04 H new ATOM 0 HB VAL A 580 3.972 -25.740 18.484 1.00 33.44 H new ATOM 0 HG11 VAL A 580 4.665 -27.925 19.407 1.00 43.45 H new ATOM 0 HG12 VAL A 580 3.139 -27.353 20.123 1.00 43.45 H new ATOM 0 HG13 VAL A 580 3.117 -28.629 18.883 1.00 43.45 H new ATOM 0 HG21 VAL A 580 5.278 -27.306 17.093 1.00 15.23 H new ATOM 0 HG22 VAL A 580 3.765 -27.977 16.439 1.00 15.23 H new ATOM 0 HG23 VAL A 580 4.201 -26.282 16.114 1.00 15.23 H new ATOM 590 N ASN A 581 0.645 -26.063 19.767 1.00 43.54 N ATOM 591 CA ASN A 581 -0.029 -25.333 20.827 1.00 24.13 C ATOM 592 C ASN A 581 -0.856 -26.310 21.666 1.00 42.51 C ATOM 593 O ASN A 581 -1.633 -27.094 21.125 1.00 62.54 O ATOM 594 CB ASN A 581 -0.979 -24.280 20.254 1.00 43.11 C ATOM 595 CG ASN A 581 -0.283 -22.923 20.131 1.00 12.34 C ATOM 596 OD1 ASN A 581 -0.160 -22.354 19.059 1.00 14.52 O ATOM 597 ND2 ASN A 581 0.164 -22.438 21.286 1.00 11.32 N ATOM 0 H ASN A 581 0.495 -27.072 19.782 1.00 43.54 H new ATOM 0 HA ASN A 581 0.731 -24.840 21.433 1.00 24.13 H new ATOM 0 HB2 ASN A 581 -1.335 -24.600 19.275 1.00 43.11 H new ATOM 0 HB3 ASN A 581 -1.855 -24.187 20.896 1.00 43.11 H new ATOM 0 HD21 ASN A 581 0.643 -21.538 21.310 1.00 11.32 H new ATOM 0 HD22 ASN A 581 0.028 -22.966 22.148 1.00 11.32 H new ATOM 604 N PRO A 582 -0.655 -26.227 23.009 1.00 55.25 N ATOM 605 CA PRO A 582 -1.374 -27.094 23.927 1.00 3.42 C ATOM 606 C PRO A 582 -2.828 -26.644 24.082 1.00 71.14 C ATOM 607 O PRO A 582 -3.714 -27.465 24.312 1.00 73.44 O ATOM 608 CB PRO A 582 -0.590 -27.025 25.227 1.00 5.24 C ATOM 609 CG PRO A 582 0.265 -25.771 25.133 1.00 14.12 C ATOM 610 CD PRO A 582 0.257 -25.309 23.685 1.00 33.31 C ATOM 0 HA PRO A 582 -1.440 -28.122 23.570 1.00 3.42 H new ATOM 0 HB2 PRO A 582 -1.260 -26.977 26.085 1.00 5.24 H new ATOM 0 HB3 PRO A 582 0.030 -27.912 25.356 1.00 5.24 H new ATOM 0 HG2 PRO A 582 -0.128 -24.991 25.785 1.00 14.12 H new ATOM 0 HG3 PRO A 582 1.283 -25.978 25.462 1.00 14.12 H new ATOM 0 HD2 PRO A 582 -0.084 -24.277 23.600 1.00 33.31 H new ATOM 0 HD3 PRO A 582 1.256 -25.351 23.250 1.00 33.31 H new ATOM 618 N ASN A 583 -3.029 -25.341 23.949 1.00 65.24 N ATOM 619 CA ASN A 583 -4.360 -24.773 24.070 1.00 12.43 C ATOM 620 C ASN A 583 -5.099 -24.926 22.739 1.00 1.52 C ATOM 621 O ASN A 583 -6.261 -24.541 22.622 1.00 13.45 O ATOM 622 CB ASN A 583 -4.294 -23.281 24.405 1.00 23.35 C ATOM 623 CG ASN A 583 -3.064 -22.966 25.260 1.00 53.53 C ATOM 624 OD1 ASN A 583 -2.234 -22.140 24.917 1.00 0.34 O ATOM 625 ND2 ASN A 583 -2.995 -23.667 26.387 1.00 5.15 N ATOM 0 H ASN A 583 -2.292 -24.663 23.759 1.00 65.24 H new ATOM 0 HA ASN A 583 -4.879 -25.300 24.870 1.00 12.43 H new ATOM 0 HB2 ASN A 583 -4.260 -22.699 23.484 1.00 23.35 H new ATOM 0 HB3 ASN A 583 -5.197 -22.984 24.937 1.00 23.35 H new ATOM 0 HD21 ASN A 583 -2.212 -23.529 27.026 1.00 5.15 H new ATOM 0 HD22 ASN A 583 -3.725 -24.343 26.613 1.00 5.15 H new ATOM 632 N PHE A 584 -4.394 -25.488 21.769 1.00 63.30 N ATOM 633 CA PHE A 584 -4.968 -25.697 20.451 1.00 40.14 C ATOM 634 C PHE A 584 -6.026 -26.802 20.482 1.00 40.31 C ATOM 635 O PHE A 584 -7.003 -26.752 19.736 1.00 22.00 O ATOM 636 CB PHE A 584 -3.826 -26.127 19.528 1.00 23.02 C ATOM 637 CG PHE A 584 -3.998 -25.681 18.075 1.00 41.22 C ATOM 638 CD1 PHE A 584 -3.894 -24.364 17.751 1.00 51.01 C ATOM 639 CD2 PHE A 584 -4.255 -26.601 17.107 1.00 44.02 C ATOM 640 CE1 PHE A 584 -4.054 -23.950 16.402 1.00 1.20 C ATOM 641 CE2 PHE A 584 -4.414 -26.187 15.758 1.00 14.20 C ATOM 642 CZ PHE A 584 -4.311 -24.870 15.434 1.00 24.11 C ATOM 0 H PHE A 584 -3.430 -25.805 21.869 1.00 63.30 H new ATOM 0 HA PHE A 584 -5.448 -24.781 20.105 1.00 40.14 H new ATOM 0 HB2 PHE A 584 -2.890 -25.723 19.913 1.00 23.02 H new ATOM 0 HB3 PHE A 584 -3.739 -27.213 19.556 1.00 23.02 H new ATOM 0 HD1 PHE A 584 -3.690 -23.633 18.520 1.00 51.01 H new ATOM 0 HD2 PHE A 584 -4.338 -27.647 17.364 1.00 44.02 H new ATOM 0 HE1 PHE A 584 -3.972 -22.904 16.145 1.00 1.20 H new ATOM 0 HE2 PHE A 584 -4.617 -26.918 14.989 1.00 14.20 H new ATOM 0 HZ PHE A 584 -4.433 -24.555 14.408 1.00 24.11 H new ATOM 652 N SER A 585 -5.796 -27.773 21.353 1.00 64.10 N ATOM 653 CA SER A 585 -6.717 -28.888 21.491 1.00 23.33 C ATOM 654 C SER A 585 -8.098 -28.378 21.908 1.00 44.22 C ATOM 655 O SER A 585 -9.106 -29.040 21.668 1.00 13.32 O ATOM 656 CB SER A 585 -6.199 -29.908 22.508 1.00 42.41 C ATOM 657 OG SER A 585 -7.141 -30.950 22.746 1.00 64.32 O ATOM 0 H SER A 585 -4.985 -27.811 21.970 1.00 64.10 H new ATOM 0 HA SER A 585 -6.797 -29.386 20.525 1.00 23.33 H new ATOM 0 HB2 SER A 585 -5.266 -30.339 22.146 1.00 42.41 H new ATOM 0 HB3 SER A 585 -5.974 -29.402 23.447 1.00 42.41 H new ATOM 0 HG SER A 585 -6.773 -31.581 23.399 1.00 64.32 H new ATOM 663 N ASN A 586 -8.098 -27.205 22.524 1.00 34.13 N ATOM 664 CA ASN A 586 -9.339 -26.598 22.976 1.00 22.24 C ATOM 665 C ASN A 586 -9.941 -25.770 21.839 1.00 22.51 C ATOM 666 O ASN A 586 -11.098 -25.360 21.911 1.00 50.33 O ATOM 667 CB ASN A 586 -9.094 -25.664 24.163 1.00 53.21 C ATOM 668 CG ASN A 586 -9.152 -26.430 25.486 1.00 75.53 C ATOM 669 OD1 ASN A 586 -10.167 -26.476 26.163 1.00 65.25 O ATOM 670 ND2 ASN A 586 -8.011 -27.028 25.815 1.00 30.31 N ATOM 0 H ASN A 586 -7.259 -26.659 22.721 1.00 34.13 H new ATOM 0 HA ASN A 586 -10.015 -27.398 23.279 1.00 22.24 H new ATOM 0 HB2 ASN A 586 -8.120 -25.185 24.058 1.00 53.21 H new ATOM 0 HB3 ASN A 586 -9.841 -24.870 24.166 1.00 53.21 H new ATOM 0 HD21 ASN A 586 -7.948 -27.566 26.680 1.00 30.31 H new ATOM 0 HD22 ASN A 586 -7.199 -26.949 25.203 1.00 30.31 H new ATOM 677 N TYR A 587 -9.128 -25.550 20.816 1.00 33.30 N ATOM 678 CA TYR A 587 -9.566 -24.779 19.665 1.00 31.10 C ATOM 679 C TYR A 587 -10.015 -25.699 18.527 1.00 3.53 C ATOM 680 O TYR A 587 -10.286 -25.236 17.421 1.00 54.54 O ATOM 681 CB TYR A 587 -8.347 -23.977 19.206 1.00 24.31 C ATOM 682 CG TYR A 587 -8.211 -22.611 19.880 1.00 1.51 C ATOM 683 CD1 TYR A 587 -9.286 -21.745 19.907 1.00 5.24 C ATOM 684 CD2 TYR A 587 -7.014 -22.243 20.461 1.00 71.31 C ATOM 685 CE1 TYR A 587 -9.158 -20.458 20.542 1.00 62.41 C ATOM 686 CE2 TYR A 587 -6.886 -20.957 21.095 1.00 14.13 C ATOM 687 CZ TYR A 587 -7.965 -20.128 21.105 1.00 44.04 C ATOM 688 OH TYR A 587 -7.844 -18.913 21.704 1.00 70.13 O ATOM 0 H TYR A 587 -8.169 -25.892 20.760 1.00 33.30 H new ATOM 0 HA TYR A 587 -10.410 -24.142 19.929 1.00 31.10 H new ATOM 0 HB2 TYR A 587 -7.447 -24.559 19.403 1.00 24.31 H new ATOM 0 HB3 TYR A 587 -8.404 -23.834 18.127 1.00 24.31 H new ATOM 0 HD1 TYR A 587 -10.223 -22.032 19.452 1.00 5.24 H new ATOM 0 HD2 TYR A 587 -6.173 -22.920 20.440 1.00 71.31 H new ATOM 0 HE1 TYR A 587 -9.991 -19.771 20.570 1.00 62.41 H new ATOM 0 HE2 TYR A 587 -5.955 -20.657 21.552 1.00 14.13 H new ATOM 0 HH TYR A 587 -7.724 -18.222 21.020 1.00 70.13 H new ATOM 698 N TYR A 588 -10.078 -26.985 18.839 1.00 55.31 N ATOM 699 CA TYR A 588 -10.489 -27.973 17.856 1.00 34.35 C ATOM 700 C TYR A 588 -10.798 -29.315 18.524 1.00 4.14 C ATOM 701 O TYR A 588 -10.337 -29.580 19.634 1.00 72.43 O ATOM 702 CB TYR A 588 -9.299 -28.149 16.912 1.00 61.13 C ATOM 703 CG TYR A 588 -8.219 -29.094 17.441 1.00 24.13 C ATOM 704 CD1 TYR A 588 -8.481 -30.444 17.561 1.00 4.32 C ATOM 705 CD2 TYR A 588 -6.982 -28.597 17.799 1.00 3.11 C ATOM 706 CE1 TYR A 588 -7.464 -31.333 18.060 1.00 62.24 C ATOM 707 CE2 TYR A 588 -5.965 -29.486 18.298 1.00 61.34 C ATOM 708 CZ TYR A 588 -6.256 -30.811 18.403 1.00 11.43 C ATOM 709 OH TYR A 588 -5.296 -31.651 18.874 1.00 3.40 O ATOM 0 H TYR A 588 -9.852 -27.365 19.758 1.00 55.31 H new ATOM 0 HA TYR A 588 -11.390 -27.646 17.336 1.00 34.35 H new ATOM 0 HB2 TYR A 588 -9.660 -28.526 15.955 1.00 61.13 H new ATOM 0 HB3 TYR A 588 -8.852 -27.173 16.722 1.00 61.13 H new ATOM 0 HD1 TYR A 588 -9.449 -30.833 17.281 1.00 4.32 H new ATOM 0 HD2 TYR A 588 -6.777 -27.541 17.705 1.00 3.11 H new ATOM 0 HE1 TYR A 588 -7.656 -32.391 18.160 1.00 62.24 H new ATOM 0 HE2 TYR A 588 -4.993 -29.110 18.582 1.00 61.34 H new ATOM 0 HH TYR A 588 -4.485 -31.140 19.078 1.00 3.40 H new ATOM 719 N ASN A 589 -11.575 -30.125 17.821 1.00 64.32 N ATOM 720 CA ASN A 589 -11.950 -31.433 18.332 1.00 43.24 C ATOM 721 C ASN A 589 -11.621 -32.498 17.284 1.00 73.30 C ATOM 722 O ASN A 589 -12.002 -32.369 16.121 1.00 21.15 O ATOM 723 CB ASN A 589 -13.450 -31.501 18.621 1.00 34.21 C ATOM 724 CG ASN A 589 -14.259 -30.894 17.473 1.00 64.25 C ATOM 725 OD1 ASN A 589 -14.804 -31.587 16.629 1.00 10.21 O ATOM 726 ND2 ASN A 589 -14.305 -29.565 17.487 1.00 60.22 N ATOM 0 H ASN A 589 -11.956 -29.901 16.901 1.00 64.32 H new ATOM 0 HA ASN A 589 -11.397 -31.607 19.255 1.00 43.24 H new ATOM 0 HB2 ASN A 589 -13.748 -32.539 18.771 1.00 34.21 H new ATOM 0 HB3 ASN A 589 -13.670 -30.969 19.546 1.00 34.21 H new ATOM 0 HD21 ASN A 589 -14.819 -29.065 16.762 1.00 60.22 H new ATOM 0 HD22 ASN A 589 -13.826 -29.046 18.223 1.00 60.22 H new ATOM 733 N VAL A 590 -10.918 -33.527 17.733 1.00 20.33 N ATOM 734 CA VAL A 590 -10.534 -34.615 16.849 1.00 10.41 C ATOM 735 C VAL A 590 -11.768 -35.457 16.518 1.00 24.25 C ATOM 736 O VAL A 590 -12.556 -35.784 17.404 1.00 21.22 O ATOM 737 CB VAL A 590 -9.405 -35.430 17.482 1.00 31.35 C ATOM 738 CG1 VAL A 590 -9.309 -36.819 16.847 1.00 12.14 C ATOM 739 CG2 VAL A 590 -8.071 -34.689 17.383 1.00 4.45 C ATOM 0 H VAL A 590 -10.604 -33.631 18.698 1.00 20.33 H new ATOM 0 HA VAL A 590 -10.146 -34.224 15.908 1.00 10.41 H new ATOM 0 HB VAL A 590 -9.638 -35.560 18.539 1.00 31.35 H new ATOM 0 HG11 VAL A 590 -8.499 -37.378 17.315 1.00 12.14 H new ATOM 0 HG12 VAL A 590 -10.249 -37.352 16.993 1.00 12.14 H new ATOM 0 HG13 VAL A 590 -9.111 -36.718 15.780 1.00 12.14 H new ATOM 0 HG21 VAL A 590 -7.286 -35.291 17.841 1.00 4.45 H new ATOM 0 HG22 VAL A 590 -7.829 -34.513 16.335 1.00 4.45 H new ATOM 0 HG23 VAL A 590 -8.146 -33.734 17.903 1.00 4.45 H new ATOM 749 N SER A 591 -11.896 -35.785 15.241 1.00 10.51 N ATOM 750 CA SER A 591 -13.020 -36.583 14.782 1.00 13.35 C ATOM 751 C SER A 591 -13.168 -37.830 15.657 1.00 43.25 C ATOM 752 O SER A 591 -12.310 -38.112 16.492 1.00 41.22 O ATOM 753 CB SER A 591 -12.851 -36.980 13.315 1.00 72.22 C ATOM 754 OG SER A 591 -13.235 -35.931 12.430 1.00 75.30 O ATOM 0 H SER A 591 -11.240 -35.513 14.509 1.00 10.51 H new ATOM 0 HA SER A 591 -13.924 -35.980 14.864 1.00 13.35 H new ATOM 0 HB2 SER A 591 -11.811 -37.248 13.130 1.00 72.22 H new ATOM 0 HB3 SER A 591 -13.450 -37.867 13.108 1.00 72.22 H new ATOM 0 HG SER A 591 -13.264 -36.272 11.512 1.00 75.30 H new ATOM 760 N ARG A 592 -14.262 -38.543 15.434 1.00 23.30 N ATOM 761 CA ARG A 592 -14.533 -39.754 16.191 1.00 45.31 C ATOM 762 C ARG A 592 -13.450 -40.801 15.922 1.00 31.13 C ATOM 763 O ARG A 592 -12.807 -41.287 16.852 1.00 52.03 O ATOM 764 CB ARG A 592 -15.899 -40.337 15.826 1.00 61.31 C ATOM 765 CG ARG A 592 -16.131 -41.673 16.534 1.00 35.43 C ATOM 766 CD ARG A 592 -17.621 -41.901 16.800 1.00 21.03 C ATOM 767 NE ARG A 592 -17.839 -43.270 17.320 1.00 41.44 N ATOM 768 CZ ARG A 592 -17.793 -44.384 16.559 1.00 52.01 C ATOM 769 NH1 ARG A 592 -17.536 -44.301 15.236 1.00 15.51 N ATOM 770 NH2 ARG A 592 -18.004 -45.556 17.128 1.00 65.42 N ATOM 0 H ARG A 592 -14.971 -38.306 14.740 1.00 23.30 H new ATOM 0 HA ARG A 592 -14.534 -39.491 17.249 1.00 45.31 H new ATOM 0 HB2 ARG A 592 -16.684 -39.634 16.102 1.00 61.31 H new ATOM 0 HB3 ARG A 592 -15.962 -40.477 14.747 1.00 61.31 H new ATOM 0 HG2 ARG A 592 -15.739 -42.486 15.923 1.00 35.43 H new ATOM 0 HG3 ARG A 592 -15.583 -41.689 17.476 1.00 35.43 H new ATOM 0 HD2 ARG A 592 -17.987 -41.168 17.519 1.00 21.03 H new ATOM 0 HD3 ARG A 592 -18.189 -41.758 15.881 1.00 21.03 H new ATOM 0 HE ARG A 592 -18.036 -43.378 18.315 1.00 41.44 H new ATOM 0 HH11 ARG A 592 -17.375 -43.391 14.804 1.00 15.51 H new ATOM 0 HH12 ARG A 592 -17.503 -45.148 14.669 1.00 15.51 H new ATOM 0 HH21 ARG A 592 -18.198 -45.610 18.128 1.00 65.42 H new ATOM 0 HH22 ARG A 592 -17.973 -46.408 16.568 1.00 65.42 H new ATOM 783 N ASP A 593 -13.282 -41.118 14.647 1.00 62.20 N ATOM 784 CA ASP A 593 -12.288 -42.099 14.244 1.00 32.14 C ATOM 785 C ASP A 593 -10.904 -41.634 14.702 1.00 33.34 C ATOM 786 O ASP A 593 -10.640 -40.435 14.774 1.00 75.10 O ATOM 787 CB ASP A 593 -12.255 -42.256 12.723 1.00 25.40 C ATOM 788 CG ASP A 593 -13.612 -42.130 12.030 1.00 54.24 C ATOM 789 OD1 ASP A 593 -14.235 -43.135 11.656 1.00 62.03 O ATOM 790 OD2 ASP A 593 -14.035 -40.921 11.875 1.00 12.23 O ATOM 0 H ASP A 593 -13.817 -40.713 13.879 1.00 62.20 H new ATOM 0 HA ASP A 593 -12.552 -43.054 14.699 1.00 32.14 H new ATOM 0 HB2 ASP A 593 -11.582 -41.505 12.310 1.00 25.40 H new ATOM 0 HB3 ASP A 593 -11.830 -43.231 12.483 1.00 25.40 H new ATOM 796 N PRO A 594 -10.035 -42.634 15.009 1.00 45.03 N ATOM 797 CA PRO A 594 -8.684 -42.340 15.458 1.00 54.22 C ATOM 798 C PRO A 594 -7.805 -41.885 14.291 1.00 72.30 C ATOM 799 O PRO A 594 -7.724 -40.693 13.998 1.00 60.53 O ATOM 800 CB PRO A 594 -8.196 -43.626 16.104 1.00 42.11 C ATOM 801 CG PRO A 594 -9.106 -44.726 15.583 1.00 33.13 C ATOM 802 CD PRO A 594 -10.312 -44.065 14.936 1.00 73.43 C ATOM 0 HA PRO A 594 -8.647 -41.514 16.169 1.00 54.22 H new ATOM 0 HB2 PRO A 594 -7.156 -43.824 15.844 1.00 42.11 H new ATOM 0 HB3 PRO A 594 -8.246 -43.560 17.191 1.00 42.11 H new ATOM 0 HG2 PRO A 594 -8.578 -45.348 14.860 1.00 33.13 H new ATOM 0 HG3 PRO A 594 -9.420 -45.380 16.397 1.00 33.13 H new ATOM 0 HD2 PRO A 594 -10.436 -44.392 13.904 1.00 73.43 H new ATOM 0 HD3 PRO A 594 -11.232 -44.317 15.463 1.00 73.43 H new ATOM 810 N VAL A 595 -7.169 -42.859 13.657 1.00 71.23 N ATOM 811 CA VAL A 595 -6.299 -42.574 12.528 1.00 30.24 C ATOM 812 C VAL A 595 -6.998 -42.990 11.233 1.00 75.22 C ATOM 813 O VAL A 595 -7.487 -44.113 11.120 1.00 33.30 O ATOM 814 CB VAL A 595 -4.946 -43.261 12.724 1.00 21.04 C ATOM 815 CG1 VAL A 595 -4.235 -43.465 11.385 1.00 53.42 C ATOM 816 CG2 VAL A 595 -4.067 -42.473 13.697 1.00 2.33 C ATOM 0 H VAL A 595 -7.239 -43.846 13.903 1.00 71.23 H new ATOM 0 HA VAL A 595 -6.099 -41.505 12.460 1.00 30.24 H new ATOM 0 HB VAL A 595 -5.129 -44.244 13.159 1.00 21.04 H new ATOM 0 HG11 VAL A 595 -3.276 -43.955 11.553 1.00 53.42 H new ATOM 0 HG12 VAL A 595 -4.852 -44.087 10.737 1.00 53.42 H new ATOM 0 HG13 VAL A 595 -4.070 -42.498 10.910 1.00 53.42 H new ATOM 0 HG21 VAL A 595 -3.111 -42.983 13.819 1.00 2.33 H new ATOM 0 HG22 VAL A 595 -3.896 -41.471 13.303 1.00 2.33 H new ATOM 0 HG23 VAL A 595 -4.566 -42.403 14.663 1.00 2.33 H new ATOM 826 N VAL A 596 -7.024 -42.062 10.287 1.00 21.34 N ATOM 827 CA VAL A 596 -7.655 -42.319 9.004 1.00 14.51 C ATOM 828 C VAL A 596 -6.749 -41.807 7.883 1.00 4.31 C ATOM 829 O VAL A 596 -6.840 -40.646 7.487 1.00 2.32 O ATOM 830 CB VAL A 596 -9.052 -41.695 8.974 1.00 34.25 C ATOM 831 CG1 VAL A 596 -9.943 -42.394 7.945 1.00 2.11 C ATOM 832 CG2 VAL A 596 -9.694 -41.722 10.363 1.00 32.11 C ATOM 0 H VAL A 596 -6.618 -41.131 10.384 1.00 21.34 H new ATOM 0 HA VAL A 596 -7.788 -43.390 8.852 1.00 14.51 H new ATOM 0 HB VAL A 596 -8.947 -40.653 8.673 1.00 34.25 H new ATOM 0 HG11 VAL A 596 -10.930 -41.931 7.944 1.00 2.11 H new ATOM 0 HG12 VAL A 596 -9.497 -42.300 6.955 1.00 2.11 H new ATOM 0 HG13 VAL A 596 -10.037 -43.449 8.202 1.00 2.11 H new ATOM 0 HG21 VAL A 596 -10.686 -41.273 10.314 1.00 32.11 H new ATOM 0 HG22 VAL A 596 -9.779 -42.754 10.704 1.00 32.11 H new ATOM 0 HG23 VAL A 596 -9.075 -41.159 11.061 1.00 32.11 H new ATOM 842 N ILE A 597 -5.894 -42.698 7.403 1.00 30.22 N ATOM 843 CA ILE A 597 -4.971 -42.351 6.336 1.00 73.44 C ATOM 844 C ILE A 597 -4.877 -43.518 5.350 1.00 51.32 C ATOM 845 O ILE A 597 -5.101 -44.669 5.721 1.00 14.42 O ATOM 846 CB ILE A 597 -3.621 -41.923 6.913 1.00 64.32 C ATOM 847 CG1 ILE A 597 -3.746 -40.608 7.685 1.00 72.31 C ATOM 848 CG2 ILE A 597 -2.556 -41.845 5.817 1.00 61.13 C ATOM 849 CD1 ILE A 597 -3.509 -39.408 6.766 1.00 72.21 C ATOM 0 H ILE A 597 -5.821 -43.660 7.734 1.00 30.22 H new ATOM 0 HA ILE A 597 -5.340 -41.490 5.778 1.00 73.44 H new ATOM 0 HB ILE A 597 -3.297 -42.684 7.623 1.00 64.32 H new ATOM 0 HG12 ILE A 597 -4.737 -40.538 8.132 1.00 72.31 H new ATOM 0 HG13 ILE A 597 -3.025 -40.592 8.503 1.00 72.31 H new ATOM 0 HG21 ILE A 597 -1.606 -41.539 6.254 1.00 61.13 H new ATOM 0 HG22 ILE A 597 -2.442 -42.823 5.350 1.00 61.13 H new ATOM 0 HG23 ILE A 597 -2.861 -41.117 5.065 1.00 61.13 H new ATOM 0 HD11 ILE A 597 -3.604 -38.486 7.340 1.00 72.21 H new ATOM 0 HD12 ILE A 597 -2.508 -39.469 6.339 1.00 72.21 H new ATOM 0 HD13 ILE A 597 -4.246 -39.413 5.963 1.00 72.21 H new ATOM 861 N ASN A 598 -4.545 -43.180 4.113 1.00 41.44 N ATOM 862 CA ASN A 598 -4.418 -44.184 3.071 1.00 72.44 C ATOM 863 C ASN A 598 -3.199 -45.062 3.360 1.00 32.43 C ATOM 864 O ASN A 598 -3.283 -46.288 3.298 1.00 54.14 O ATOM 865 CB ASN A 598 -4.218 -43.534 1.700 1.00 22.42 C ATOM 866 CG ASN A 598 -4.021 -44.594 0.614 1.00 30.13 C ATOM 867 OD1 ASN A 598 -4.952 -45.020 -0.050 1.00 3.21 O ATOM 868 ND2 ASN A 598 -2.761 -44.995 0.471 1.00 1.24 N ATOM 0 H ASN A 598 -4.360 -42.224 3.809 1.00 41.44 H new ATOM 0 HA ASN A 598 -5.334 -44.775 3.060 1.00 72.44 H new ATOM 0 HB2 ASN A 598 -5.082 -42.916 1.457 1.00 22.42 H new ATOM 0 HB3 ASN A 598 -3.352 -42.873 1.730 1.00 22.42 H new ATOM 0 HD21 ASN A 598 -2.526 -45.700 -0.228 1.00 1.24 H new ATOM 0 HD22 ASN A 598 -2.029 -44.597 1.060 1.00 1.24 H new ATOM 875 N LYS A 599 -2.094 -44.401 3.671 1.00 30.03 N ATOM 876 CA LYS A 599 -0.859 -45.106 3.971 1.00 53.01 C ATOM 877 C LYS A 599 -0.207 -44.481 5.206 1.00 41.13 C ATOM 878 O LYS A 599 -0.055 -43.263 5.282 1.00 3.22 O ATOM 879 CB LYS A 599 0.052 -45.136 2.742 1.00 3.24 C ATOM 880 CG LYS A 599 1.521 -45.263 3.152 1.00 32.43 C ATOM 881 CD LYS A 599 2.154 -43.886 3.361 1.00 35.11 C ATOM 882 CE LYS A 599 3.657 -43.925 3.079 1.00 53.24 C ATOM 883 NZ LYS A 599 3.908 -44.113 1.632 1.00 34.32 N ATOM 0 H LYS A 599 -2.028 -43.384 3.722 1.00 30.03 H new ATOM 0 HA LYS A 599 -1.064 -46.149 4.213 1.00 53.01 H new ATOM 0 HB2 LYS A 599 -0.224 -45.973 2.101 1.00 3.24 H new ATOM 0 HB3 LYS A 599 -0.089 -44.227 2.158 1.00 3.24 H new ATOM 0 HG2 LYS A 599 1.597 -45.845 4.071 1.00 32.43 H new ATOM 0 HG3 LYS A 599 2.071 -45.807 2.384 1.00 32.43 H new ATOM 0 HD2 LYS A 599 1.676 -43.159 2.705 1.00 35.11 H new ATOM 0 HD3 LYS A 599 1.981 -43.554 4.385 1.00 35.11 H new ATOM 0 HE2 LYS A 599 4.121 -42.998 3.417 1.00 53.24 H new ATOM 0 HE3 LYS A 599 4.118 -44.736 3.643 1.00 53.24 H new ATOM 0 HZ1 LYS A 599 4.843 -43.728 1.389 1.00 34.32 H new ATOM 0 HZ2 LYS A 599 3.881 -45.127 1.404 1.00 34.32 H new ATOM 0 HZ3 LYS A 599 3.176 -43.616 1.085 1.00 34.32 H new ATOM 896 N VAL A 600 0.161 -45.343 6.142 1.00 71.43 N ATOM 897 CA VAL A 600 0.793 -44.891 7.369 1.00 23.23 C ATOM 898 C VAL A 600 2.299 -44.746 7.139 1.00 71.33 C ATOM 899 O VAL A 600 2.857 -45.377 6.242 1.00 53.42 O ATOM 900 CB VAL A 600 0.453 -45.846 8.516 1.00 42.33 C ATOM 901 CG1 VAL A 600 0.773 -45.211 9.871 1.00 72.14 C ATOM 902 CG2 VAL A 600 -1.011 -46.285 8.447 1.00 1.24 C ATOM 0 H VAL A 600 0.033 -46.353 6.075 1.00 71.43 H new ATOM 0 HA VAL A 600 0.412 -43.911 7.656 1.00 23.23 H new ATOM 0 HB VAL A 600 1.074 -46.735 8.408 1.00 42.33 H new ATOM 0 HG11 VAL A 600 0.522 -45.910 10.669 1.00 72.14 H new ATOM 0 HG12 VAL A 600 1.835 -44.972 9.919 1.00 72.14 H new ATOM 0 HG13 VAL A 600 0.190 -44.298 9.992 1.00 72.14 H new ATOM 0 HG21 VAL A 600 -1.227 -46.963 9.273 1.00 1.24 H new ATOM 0 HG22 VAL A 600 -1.657 -45.410 8.518 1.00 1.24 H new ATOM 0 HG23 VAL A 600 -1.194 -46.795 7.501 1.00 1.24 H new ATOM 912 N PHE A 601 2.914 -43.912 7.964 1.00 30.11 N ATOM 913 CA PHE A 601 4.344 -43.676 7.861 1.00 21.44 C ATOM 914 C PHE A 601 5.058 -44.064 9.158 1.00 1.30 C ATOM 915 O PHE A 601 4.416 -44.268 10.187 1.00 2.12 O ATOM 916 CB PHE A 601 4.534 -42.178 7.617 1.00 70.14 C ATOM 917 CG PHE A 601 3.556 -41.585 6.601 1.00 54.31 C ATOM 918 CD1 PHE A 601 2.333 -41.150 7.008 1.00 32.42 C ATOM 919 CD2 PHE A 601 3.909 -41.491 5.291 1.00 73.51 C ATOM 920 CE1 PHE A 601 1.425 -40.600 6.066 1.00 52.34 C ATOM 921 CE2 PHE A 601 3.001 -40.941 4.348 1.00 14.22 C ATOM 922 CZ PHE A 601 1.778 -40.507 4.756 1.00 52.55 C ATOM 0 H PHE A 601 2.448 -43.391 8.707 1.00 30.11 H new ATOM 0 HA PHE A 601 4.763 -44.276 7.053 1.00 21.44 H new ATOM 0 HB2 PHE A 601 4.424 -41.649 8.564 1.00 70.14 H new ATOM 0 HB3 PHE A 601 5.553 -42.003 7.271 1.00 70.14 H new ATOM 0 HD1 PHE A 601 2.053 -41.223 8.048 1.00 32.42 H new ATOM 0 HD2 PHE A 601 4.880 -41.835 4.968 1.00 73.51 H new ATOM 0 HE1 PHE A 601 0.454 -40.255 6.389 1.00 52.34 H new ATOM 0 HE2 PHE A 601 3.281 -40.867 3.308 1.00 14.22 H new ATOM 0 HZ PHE A 601 1.087 -40.088 4.039 1.00 52.55 H new ATOM 932 N LYS A 602 6.377 -44.153 9.066 1.00 72.32 N ATOM 933 CA LYS A 602 7.185 -44.513 10.219 1.00 51.43 C ATOM 934 C LYS A 602 7.818 -43.250 10.806 1.00 45.45 C ATOM 935 O LYS A 602 7.730 -43.008 12.008 1.00 4.14 O ATOM 936 CB LYS A 602 8.201 -45.594 9.845 1.00 40.41 C ATOM 937 CG LYS A 602 7.556 -46.676 8.978 1.00 74.43 C ATOM 938 CD LYS A 602 6.459 -47.414 9.748 1.00 34.21 C ATOM 939 CE LYS A 602 5.639 -48.308 8.815 1.00 44.33 C ATOM 940 NZ LYS A 602 4.940 -49.359 9.586 1.00 33.31 N ATOM 0 H LYS A 602 6.906 -43.982 8.211 1.00 72.32 H new ATOM 0 HA LYS A 602 6.562 -44.951 10.999 1.00 51.43 H new ATOM 0 HB2 LYS A 602 9.036 -45.143 9.309 1.00 40.41 H new ATOM 0 HB3 LYS A 602 8.609 -46.044 10.750 1.00 40.41 H new ATOM 0 HG2 LYS A 602 7.134 -46.224 8.080 1.00 74.43 H new ATOM 0 HG3 LYS A 602 8.316 -47.386 8.651 1.00 74.43 H new ATOM 0 HD2 LYS A 602 6.907 -48.019 10.536 1.00 34.21 H new ATOM 0 HD3 LYS A 602 5.803 -46.692 10.235 1.00 34.21 H new ATOM 0 HE2 LYS A 602 4.913 -47.705 8.270 1.00 44.33 H new ATOM 0 HE3 LYS A 602 6.293 -48.767 8.074 1.00 44.33 H new ATOM 0 HZ1 LYS A 602 4.388 -49.956 8.938 1.00 33.31 H new ATOM 0 HZ2 LYS A 602 5.638 -49.945 10.087 1.00 33.31 H new ATOM 0 HZ3 LYS A 602 4.301 -48.916 10.277 1.00 33.31 H new ATOM 953 N ASP A 603 8.443 -42.477 9.929 1.00 61.33 N ATOM 954 CA ASP A 603 9.091 -41.245 10.345 1.00 62.12 C ATOM 955 C ASP A 603 8.210 -40.533 11.373 1.00 42.40 C ATOM 956 O ASP A 603 8.710 -40.007 12.366 1.00 22.34 O ATOM 957 CB ASP A 603 9.292 -40.300 9.158 1.00 33.43 C ATOM 958 CG ASP A 603 10.615 -40.473 8.411 1.00 44.03 C ATOM 959 OD1 ASP A 603 11.652 -39.923 8.812 1.00 71.30 O ATOM 960 OD2 ASP A 603 10.555 -41.218 7.360 1.00 74.44 O ATOM 0 H ASP A 603 8.514 -42.681 8.932 1.00 61.33 H new ATOM 0 HA ASP A 603 10.062 -41.501 10.770 1.00 62.12 H new ATOM 0 HB2 ASP A 603 8.473 -40.446 8.454 1.00 33.43 H new ATOM 0 HB3 ASP A 603 9.226 -39.272 9.516 1.00 33.43 H new ATOM 966 N TRP A 604 6.914 -40.538 11.099 1.00 50.41 N ATOM 967 CA TRP A 604 5.959 -39.898 11.988 1.00 74.23 C ATOM 968 C TRP A 604 4.589 -40.535 11.746 1.00 34.01 C ATOM 969 O TRP A 604 4.219 -40.807 10.605 1.00 61.21 O ATOM 970 CB TRP A 604 5.956 -38.381 11.790 1.00 70.23 C ATOM 971 CG TRP A 604 5.723 -37.943 10.343 1.00 53.24 C ATOM 972 CD1 TRP A 604 6.300 -38.422 9.232 1.00 1.32 C ATOM 973 CD2 TRP A 604 4.820 -36.911 9.892 1.00 73.24 C ATOM 974 NE1 TRP A 604 5.837 -37.777 8.103 1.00 23.01 N ATOM 975 CE2 TRP A 604 4.908 -36.829 8.517 1.00 64.41 C ATOM 976 CE3 TRP A 604 3.956 -36.075 10.621 1.00 24.12 C ATOM 977 CZ2 TRP A 604 4.161 -35.925 7.753 1.00 71.10 C ATOM 978 CZ3 TRP A 604 3.216 -35.177 9.843 1.00 43.20 C ATOM 979 CH2 TRP A 604 3.294 -35.082 8.458 1.00 2.15 C ATOM 0 H TRP A 604 6.503 -40.975 10.274 1.00 50.41 H new ATOM 0 HA TRP A 604 6.237 -40.054 13.030 1.00 74.23 H new ATOM 0 HB2 TRP A 604 5.181 -37.944 12.420 1.00 70.23 H new ATOM 0 HB3 TRP A 604 6.910 -37.978 12.132 1.00 70.23 H new ATOM 0 HD1 TRP A 604 7.035 -39.213 9.222 1.00 1.32 H new ATOM 0 HE1 TRP A 604 6.124 -37.962 7.142 1.00 23.01 H new ATOM 0 HE3 TRP A 604 3.870 -36.122 11.697 1.00 24.12 H new ATOM 0 HZ2 TRP A 604 4.249 -35.880 6.678 1.00 71.10 H new ATOM 0 HZ3 TRP A 604 2.537 -34.511 10.354 1.00 43.20 H new ATOM 0 HH2 TRP A 604 2.688 -34.361 7.929 1.00 2.15 H new ATOM 990 N LYS A 605 3.872 -40.754 12.839 1.00 25.11 N ATOM 991 CA LYS A 605 2.551 -41.354 12.760 1.00 3.24 C ATOM 992 C LYS A 605 1.495 -40.247 12.718 1.00 64.31 C ATOM 993 O LYS A 605 1.724 -39.147 13.217 1.00 42.54 O ATOM 994 CB LYS A 605 2.348 -42.354 13.900 1.00 22.12 C ATOM 995 CG LYS A 605 1.779 -41.663 15.141 1.00 24.32 C ATOM 996 CD LYS A 605 2.156 -42.425 16.414 1.00 53.03 C ATOM 997 CE LYS A 605 3.533 -41.995 16.923 1.00 60.32 C ATOM 998 NZ LYS A 605 4.022 -42.938 17.954 1.00 54.10 N ATOM 0 H LYS A 605 4.181 -40.527 13.784 1.00 25.11 H new ATOM 0 HA LYS A 605 2.448 -41.929 11.840 1.00 3.24 H new ATOM 0 HB2 LYS A 605 1.671 -43.146 13.578 1.00 22.12 H new ATOM 0 HB3 LYS A 605 3.298 -42.828 14.147 1.00 22.12 H new ATOM 0 HG2 LYS A 605 2.157 -40.642 15.199 1.00 24.32 H new ATOM 0 HG3 LYS A 605 0.694 -41.597 15.060 1.00 24.32 H new ATOM 0 HD2 LYS A 605 1.407 -42.245 17.185 1.00 53.03 H new ATOM 0 HD3 LYS A 605 2.157 -43.496 16.214 1.00 53.03 H new ATOM 0 HE2 LYS A 605 4.238 -41.957 16.093 1.00 60.32 H new ATOM 0 HE3 LYS A 605 3.476 -40.989 17.339 1.00 60.32 H new ATOM 0 HZ1 LYS A 605 4.958 -42.632 18.289 1.00 54.10 H new ATOM 0 HZ2 LYS A 605 3.357 -42.954 18.753 1.00 54.10 H new ATOM 0 HZ3 LYS A 605 4.096 -43.892 17.545 1.00 54.10 H new ATOM 1011 N PRO A 606 0.332 -40.587 12.102 1.00 54.13 N ATOM 1012 CA PRO A 606 -0.760 -39.635 11.988 1.00 72.05 C ATOM 1013 C PRO A 606 -1.479 -39.462 13.327 1.00 74.21 C ATOM 1014 O PRO A 606 -0.943 -39.821 14.374 1.00 34.12 O ATOM 1015 CB PRO A 606 -1.660 -40.197 10.898 1.00 4.34 C ATOM 1016 CG PRO A 606 -1.290 -41.665 10.769 1.00 61.41 C ATOM 1017 CD PRO A 606 0.025 -41.881 11.500 1.00 63.24 C ATOM 0 HA PRO A 606 -0.419 -38.633 11.727 1.00 72.05 H new ATOM 0 HB2 PRO A 606 -2.711 -40.081 11.161 1.00 4.34 H new ATOM 0 HB3 PRO A 606 -1.507 -39.671 9.955 1.00 4.34 H new ATOM 0 HG2 PRO A 606 -2.071 -42.294 11.195 1.00 61.41 H new ATOM 0 HG3 PRO A 606 -1.193 -41.943 9.720 1.00 61.41 H new ATOM 0 HD2 PRO A 606 -0.067 -42.659 12.258 1.00 63.24 H new ATOM 0 HD3 PRO A 606 0.812 -42.195 10.815 1.00 63.24 H new ATOM 1025 N GLY A 607 -2.682 -38.913 13.250 1.00 55.34 N ATOM 1026 CA GLY A 607 -3.481 -38.688 14.443 1.00 62.13 C ATOM 1027 C GLY A 607 -4.975 -38.797 14.131 1.00 22.35 C ATOM 1028 O GLY A 607 -5.475 -39.884 13.847 1.00 73.24 O ATOM 0 H GLY A 607 -3.123 -38.617 12.379 1.00 55.34 H new ATOM 0 HA2 GLY A 607 -3.212 -39.416 15.208 1.00 62.13 H new ATOM 0 HA3 GLY A 607 -3.262 -37.701 14.851 1.00 62.13 H new ATOM 1032 N GLY A 608 -5.645 -37.656 14.196 1.00 32.45 N ATOM 1033 CA GLY A 608 -7.072 -37.610 13.925 1.00 20.21 C ATOM 1034 C GLY A 608 -7.449 -36.321 13.192 1.00 72.30 C ATOM 1035 O GLY A 608 -6.715 -35.336 13.244 1.00 14.55 O ATOM 0 H GLY A 608 -5.226 -36.756 14.432 1.00 32.45 H new ATOM 0 HA2 GLY A 608 -7.360 -38.472 13.323 1.00 20.21 H new ATOM 0 HA3 GLY A 608 -7.626 -37.676 14.861 1.00 20.21 H new ATOM 1039 N VAL A 609 -8.593 -36.371 12.525 1.00 11.33 N ATOM 1040 CA VAL A 609 -9.077 -35.219 11.782 1.00 24.34 C ATOM 1041 C VAL A 609 -9.374 -34.077 12.756 1.00 22.55 C ATOM 1042 O VAL A 609 -10.096 -34.263 13.735 1.00 63.42 O ATOM 1043 CB VAL A 609 -10.289 -35.614 10.936 1.00 2.12 C ATOM 1044 CG1 VAL A 609 -10.829 -34.412 10.158 1.00 21.33 C ATOM 1045 CG2 VAL A 609 -9.946 -36.769 9.993 1.00 53.20 C ATOM 0 H VAL A 609 -9.199 -37.191 12.483 1.00 11.33 H new ATOM 0 HA VAL A 609 -8.315 -34.864 11.088 1.00 24.34 H new ATOM 0 HB VAL A 609 -11.073 -35.955 11.612 1.00 2.12 H new ATOM 0 HG11 VAL A 609 -11.690 -34.720 9.565 1.00 21.33 H new ATOM 0 HG12 VAL A 609 -11.130 -33.632 10.857 1.00 21.33 H new ATOM 0 HG13 VAL A 609 -10.052 -34.027 9.497 1.00 21.33 H new ATOM 0 HG21 VAL A 609 -10.825 -37.030 9.403 1.00 53.20 H new ATOM 0 HG22 VAL A 609 -9.138 -36.467 9.326 1.00 53.20 H new ATOM 0 HG23 VAL A 609 -9.631 -37.634 10.577 1.00 53.20 H new ATOM 1055 N ILE A 610 -8.802 -32.921 12.455 1.00 61.02 N ATOM 1056 CA ILE A 610 -8.996 -31.749 13.292 1.00 74.15 C ATOM 1057 C ILE A 610 -10.103 -30.878 12.693 1.00 63.23 C ATOM 1058 O ILE A 610 -10.378 -30.954 11.496 1.00 12.03 O ATOM 1059 CB ILE A 610 -7.673 -31.009 13.493 1.00 24.13 C ATOM 1060 CG1 ILE A 610 -6.489 -31.976 13.431 1.00 23.51 C ATOM 1061 CG2 ILE A 610 -7.687 -30.204 14.794 1.00 32.24 C ATOM 1062 CD1 ILE A 610 -5.223 -31.332 14.000 1.00 52.51 C ATOM 0 H ILE A 610 -8.204 -32.771 11.643 1.00 61.02 H new ATOM 0 HA ILE A 610 -9.325 -32.043 14.289 1.00 74.15 H new ATOM 0 HB ILE A 610 -7.552 -30.298 12.676 1.00 24.13 H new ATOM 0 HG12 ILE A 610 -6.724 -32.881 13.992 1.00 23.51 H new ATOM 0 HG13 ILE A 610 -6.315 -32.277 12.398 1.00 23.51 H new ATOM 0 HG21 ILE A 610 -6.734 -29.688 14.913 1.00 32.24 H new ATOM 0 HG22 ILE A 610 -8.495 -29.473 14.761 1.00 32.24 H new ATOM 0 HG23 ILE A 610 -7.842 -30.877 15.637 1.00 32.24 H new ATOM 0 HD11 ILE A 610 -4.397 -32.041 13.944 1.00 52.51 H new ATOM 0 HD12 ILE A 610 -4.977 -30.441 13.422 1.00 52.51 H new ATOM 0 HD13 ILE A 610 -5.392 -31.054 15.040 1.00 52.51 H new ATOM 1074 N SER A 611 -10.707 -30.071 13.552 1.00 2.02 N ATOM 1075 CA SER A 611 -11.777 -29.187 13.123 1.00 1.41 C ATOM 1076 C SER A 611 -11.886 -27.996 14.077 1.00 3.53 C ATOM 1077 O SER A 611 -11.971 -28.174 15.291 1.00 3.14 O ATOM 1078 CB SER A 611 -13.111 -29.932 13.050 1.00 52.30 C ATOM 1079 OG SER A 611 -12.933 -31.322 12.795 1.00 62.33 O ATOM 0 H SER A 611 -10.476 -30.011 14.544 1.00 2.02 H new ATOM 0 HA SER A 611 -11.540 -28.823 12.123 1.00 1.41 H new ATOM 0 HB2 SER A 611 -13.651 -29.802 13.988 1.00 52.30 H new ATOM 0 HB3 SER A 611 -13.728 -29.495 12.264 1.00 52.30 H new ATOM 0 HG SER A 611 -13.808 -31.762 12.757 1.00 62.33 H new ATOM 1085 N CYS A 612 -11.880 -26.807 13.492 1.00 5.10 N ATOM 1086 CA CYS A 612 -11.976 -25.587 14.275 1.00 54.30 C ATOM 1087 C CYS A 612 -13.230 -25.674 15.147 1.00 14.12 C ATOM 1088 O CYS A 612 -14.342 -25.790 14.633 1.00 43.12 O ATOM 1089 CB CYS A 612 -11.986 -24.343 13.384 1.00 0.55 C ATOM 1090 SG CYS A 612 -11.742 -22.761 14.273 1.00 71.33 S ATOM 0 H CYS A 612 -11.810 -26.663 12.485 1.00 5.10 H new ATOM 0 HA CYS A 612 -11.097 -25.490 14.912 1.00 54.30 H new ATOM 0 HB2 CYS A 612 -11.204 -24.446 12.632 1.00 0.55 H new ATOM 0 HB3 CYS A 612 -12.936 -24.302 12.852 1.00 0.55 H new ATOM 1095 N ARG A 613 -13.010 -25.615 16.452 1.00 0.33 N ATOM 1096 CA ARG A 613 -14.108 -25.685 17.401 1.00 75.52 C ATOM 1097 C ARG A 613 -14.885 -24.367 17.413 1.00 23.14 C ATOM 1098 O ARG A 613 -16.076 -24.347 17.719 1.00 50.02 O ATOM 1099 CB ARG A 613 -13.599 -25.983 18.812 1.00 1.14 C ATOM 1100 CG ARG A 613 -14.762 -26.122 19.797 1.00 23.11 C ATOM 1101 CD ARG A 613 -14.286 -25.930 21.238 1.00 4.34 C ATOM 1102 NE ARG A 613 -14.772 -27.042 22.085 1.00 64.34 N ATOM 1103 CZ ARG A 613 -14.926 -26.963 23.423 1.00 31.34 C ATOM 1104 NH1 ARG A 613 -14.633 -25.821 24.081 1.00 72.13 N ATOM 1105 NH2 ARG A 613 -15.368 -28.020 24.080 1.00 4.22 N ATOM 0 H ARG A 613 -12.087 -25.519 16.875 1.00 0.33 H new ATOM 0 HA ARG A 613 -14.766 -26.495 17.087 1.00 75.52 H new ATOM 0 HB2 ARG A 613 -13.013 -26.902 18.804 1.00 1.14 H new ATOM 0 HB3 ARG A 613 -12.934 -25.183 19.139 1.00 1.14 H new ATOM 0 HG2 ARG A 613 -15.531 -25.386 19.563 1.00 23.11 H new ATOM 0 HG3 ARG A 613 -15.219 -27.106 19.689 1.00 23.11 H new ATOM 0 HD2 ARG A 613 -13.197 -25.889 21.267 1.00 4.34 H new ATOM 0 HD3 ARG A 613 -14.652 -24.980 21.627 1.00 4.34 H new ATOM 0 HE ARG A 613 -15.005 -27.924 21.628 1.00 64.34 H new ATOM 0 HH11 ARG A 613 -14.292 -25.009 23.566 1.00 72.13 H new ATOM 0 HH12 ARG A 613 -14.752 -25.770 25.093 1.00 72.13 H new ATOM 0 HH21 ARG A 613 -15.587 -28.879 23.576 1.00 4.22 H new ATOM 0 HH22 ARG A 613 -15.490 -27.977 25.092 1.00 4.22 H new ATOM 1118 N ASN A 614 -14.178 -23.298 17.078 1.00 41.11 N ATOM 1119 CA ASN A 614 -14.786 -21.978 17.047 1.00 63.42 C ATOM 1120 C ASN A 614 -15.918 -21.967 16.018 1.00 64.25 C ATOM 1121 O ASN A 614 -16.874 -21.206 16.150 1.00 15.21 O ATOM 1122 CB ASN A 614 -13.767 -20.912 16.641 1.00 63.04 C ATOM 1123 CG ASN A 614 -12.779 -20.637 17.776 1.00 43.11 C ATOM 1124 OD1 ASN A 614 -13.131 -20.594 18.943 1.00 22.23 O ATOM 1125 ND2 ASN A 614 -11.526 -20.453 17.370 1.00 64.20 N ATOM 0 H ASN A 614 -13.190 -23.319 16.826 1.00 41.11 H new ATOM 0 HA ASN A 614 -15.161 -21.756 18.046 1.00 63.42 H new ATOM 0 HB2 ASN A 614 -13.225 -21.241 15.754 1.00 63.04 H new ATOM 0 HB3 ASN A 614 -14.286 -19.991 16.374 1.00 63.04 H new ATOM 0 HD21 ASN A 614 -10.792 -20.262 18.052 1.00 64.20 H new ATOM 0 HD22 ASN A 614 -11.299 -20.502 16.377 1.00 64.20 H new ATOM 1132 N CYS A 615 -15.771 -22.821 15.015 1.00 50.32 N ATOM 1133 CA CYS A 615 -16.769 -22.919 13.963 1.00 12.44 C ATOM 1134 C CYS A 615 -16.977 -24.398 13.635 1.00 71.33 C ATOM 1135 O CYS A 615 -18.004 -24.977 13.985 1.00 32.34 O ATOM 1136 CB CYS A 615 -16.370 -22.110 12.727 1.00 21.13 C ATOM 1137 SG CYS A 615 -15.389 -20.606 13.078 1.00 10.44 S ATOM 0 H CYS A 615 -14.976 -23.451 14.909 1.00 50.32 H new ATOM 0 HA CYS A 615 -17.709 -22.489 14.309 1.00 12.44 H new ATOM 0 HB2 CYS A 615 -15.797 -22.753 12.059 1.00 21.13 H new ATOM 0 HB3 CYS A 615 -17.275 -21.820 12.192 1.00 21.13 H new ATOM 1142 N GLY A 616 -15.986 -24.968 12.965 1.00 2.13 N ATOM 1143 CA GLY A 616 -16.047 -26.369 12.585 1.00 33.14 C ATOM 1144 C GLY A 616 -15.202 -26.637 11.339 1.00 41.25 C ATOM 1145 O GLY A 616 -14.833 -27.778 11.068 1.00 64.41 O ATOM 0 H GLY A 616 -15.136 -24.484 12.675 1.00 2.13 H new ATOM 0 HA2 GLY A 616 -15.693 -26.989 13.409 1.00 33.14 H new ATOM 0 HA3 GLY A 616 -17.082 -26.653 12.395 1.00 33.14 H new ATOM 1149 N GLU A 617 -14.920 -25.565 10.612 1.00 10.05 N ATOM 1150 CA GLU A 617 -14.125 -25.670 9.401 1.00 51.23 C ATOM 1151 C GLU A 617 -12.949 -26.624 9.618 1.00 2.34 C ATOM 1152 O GLU A 617 -11.977 -26.274 10.286 1.00 62.00 O ATOM 1153 CB GLU A 617 -13.637 -24.293 8.944 1.00 35.41 C ATOM 1154 CG GLU A 617 -13.026 -24.365 7.543 1.00 35.12 C ATOM 1155 CD GLU A 617 -14.117 -24.399 6.470 1.00 0.05 C ATOM 1156 OE1 GLU A 617 -14.787 -25.428 6.300 1.00 32.21 O ATOM 1157 OE2 GLU A 617 -14.258 -23.305 5.801 1.00 23.13 O ATOM 0 H GLU A 617 -15.228 -24.620 10.839 1.00 10.05 H new ATOM 0 HA GLU A 617 -14.756 -26.077 8.610 1.00 51.23 H new ATOM 0 HB2 GLU A 617 -14.469 -23.589 8.946 1.00 35.41 H new ATOM 0 HB3 GLU A 617 -12.897 -23.913 9.648 1.00 35.41 H new ATOM 0 HG2 GLU A 617 -12.378 -23.504 7.380 1.00 35.12 H new ATOM 0 HG3 GLU A 617 -12.401 -25.254 7.460 1.00 35.12 H new ATOM 1165 N VAL A 618 -13.076 -27.810 9.042 1.00 21.02 N ATOM 1166 CA VAL A 618 -12.035 -28.817 9.165 1.00 55.11 C ATOM 1167 C VAL A 618 -10.691 -28.206 8.764 1.00 72.45 C ATOM 1168 O VAL A 618 -10.611 -27.458 7.791 1.00 40.12 O ATOM 1169 CB VAL A 618 -12.402 -30.051 8.339 1.00 61.53 C ATOM 1170 CG1 VAL A 618 -11.182 -30.950 8.125 1.00 33.12 C ATOM 1171 CG2 VAL A 618 -13.548 -30.828 8.991 1.00 5.44 C ATOM 0 H VAL A 618 -13.884 -28.097 8.489 1.00 21.02 H new ATOM 0 HA VAL A 618 -11.945 -29.150 10.199 1.00 55.11 H new ATOM 0 HB VAL A 618 -12.743 -29.710 7.362 1.00 61.53 H new ATOM 0 HG11 VAL A 618 -11.470 -31.820 7.535 1.00 33.12 H new ATOM 0 HG12 VAL A 618 -10.408 -30.393 7.597 1.00 33.12 H new ATOM 0 HG13 VAL A 618 -10.798 -31.278 9.091 1.00 33.12 H new ATOM 0 HG21 VAL A 618 -13.788 -31.700 8.383 1.00 5.44 H new ATOM 0 HG22 VAL A 618 -13.247 -31.152 9.987 1.00 5.44 H new ATOM 0 HG23 VAL A 618 -14.426 -30.186 9.068 1.00 5.44 H new ATOM 1181 N TRP A 619 -9.669 -28.549 9.533 1.00 4.12 N ATOM 1182 CA TRP A 619 -8.332 -28.044 9.270 1.00 2.11 C ATOM 1183 C TRP A 619 -7.559 -29.124 8.511 1.00 71.50 C ATOM 1184 O TRP A 619 -6.898 -28.836 7.515 1.00 44.30 O ATOM 1185 CB TRP A 619 -7.642 -27.616 10.567 1.00 54.40 C ATOM 1186 CG TRP A 619 -8.183 -26.312 11.158 1.00 35.33 C ATOM 1187 CD1 TRP A 619 -8.924 -25.375 10.550 1.00 24.13 C ATOM 1188 CD2 TRP A 619 -7.996 -25.837 12.508 1.00 24.42 C ATOM 1189 NE1 TRP A 619 -9.225 -24.335 11.406 1.00 71.01 N ATOM 1190 CE2 TRP A 619 -8.643 -24.625 12.634 1.00 21.33 C ATOM 1191 CE3 TRP A 619 -7.302 -26.413 13.587 1.00 64.21 C ATOM 1192 CZ2 TRP A 619 -8.660 -23.886 13.823 1.00 55.42 C ATOM 1193 CZ3 TRP A 619 -7.329 -25.661 14.768 1.00 64.43 C ATOM 1194 CH2 TRP A 619 -7.976 -24.440 14.911 1.00 44.51 C ATOM 0 H TRP A 619 -9.739 -29.171 10.339 1.00 4.12 H new ATOM 0 HA TRP A 619 -8.374 -27.147 8.653 1.00 2.11 H new ATOM 0 HB2 TRP A 619 -7.752 -28.411 11.305 1.00 54.40 H new ATOM 0 HB3 TRP A 619 -6.574 -27.502 10.378 1.00 54.40 H new ATOM 0 HD1 TRP A 619 -9.245 -25.427 9.520 1.00 24.13 H new ATOM 0 HE1 TRP A 619 -9.774 -23.506 11.179 1.00 71.01 H new ATOM 0 HE3 TRP A 619 -6.789 -27.360 13.511 1.00 64.21 H new ATOM 0 HZ2 TRP A 619 -9.174 -22.939 13.897 1.00 55.42 H new ATOM 0 HZ3 TRP A 619 -6.810 -26.058 15.628 1.00 64.43 H new ATOM 0 HH2 TRP A 619 -7.951 -23.921 15.858 1.00 44.51 H new ATOM 1205 N GLY A 620 -7.669 -30.347 9.011 1.00 44.43 N ATOM 1206 CA GLY A 620 -6.988 -31.472 8.392 1.00 14.22 C ATOM 1207 C GLY A 620 -6.946 -32.674 9.338 1.00 43.12 C ATOM 1208 O GLY A 620 -7.937 -33.388 9.485 1.00 5.33 O ATOM 0 H GLY A 620 -8.219 -30.583 9.837 1.00 44.43 H new ATOM 0 HA2 GLY A 620 -7.499 -31.748 7.469 1.00 14.22 H new ATOM 0 HA3 GLY A 620 -5.973 -31.183 8.120 1.00 14.22 H new ATOM 1212 N LEU A 621 -5.788 -32.861 9.954 1.00 42.21 N ATOM 1213 CA LEU A 621 -5.603 -33.964 10.881 1.00 21.21 C ATOM 1214 C LEU A 621 -4.438 -33.646 11.820 1.00 1.54 C ATOM 1215 O LEU A 621 -3.693 -32.694 11.591 1.00 52.21 O ATOM 1216 CB LEU A 621 -5.437 -35.281 10.120 1.00 20.35 C ATOM 1217 CG LEU A 621 -4.198 -35.390 9.229 1.00 1.34 C ATOM 1218 CD1 LEU A 621 -2.924 -35.097 10.024 1.00 2.21 C ATOM 1219 CD2 LEU A 621 -4.140 -36.752 8.535 1.00 43.43 C ATOM 0 H LEU A 621 -4.968 -32.267 9.829 1.00 42.21 H new ATOM 0 HA LEU A 621 -6.489 -34.091 11.503 1.00 21.21 H new ATOM 0 HB2 LEU A 621 -5.412 -36.095 10.844 1.00 20.35 H new ATOM 0 HB3 LEU A 621 -6.320 -35.433 9.500 1.00 20.35 H new ATOM 0 HG LEU A 621 -4.271 -34.634 8.448 1.00 1.34 H new ATOM 0 HD11 LEU A 621 -2.058 -35.181 9.367 1.00 2.21 H new ATOM 0 HD12 LEU A 621 -2.974 -34.087 10.432 1.00 2.21 H new ATOM 0 HD13 LEU A 621 -2.832 -35.814 10.840 1.00 2.21 H new ATOM 0 HD21 LEU A 621 -3.250 -36.803 7.908 1.00 43.43 H new ATOM 0 HD22 LEU A 621 -4.101 -37.541 9.286 1.00 43.43 H new ATOM 0 HD23 LEU A 621 -5.028 -36.883 7.916 1.00 43.43 H new ATOM 1231 N GLN A 622 -4.317 -34.460 12.858 1.00 2.15 N ATOM 1232 CA GLN A 622 -3.255 -34.277 13.834 1.00 51.35 C ATOM 1233 C GLN A 622 -2.115 -35.261 13.568 1.00 63.33 C ATOM 1234 O GLN A 622 -2.355 -36.437 13.300 1.00 71.55 O ATOM 1235 CB GLN A 622 -3.788 -34.427 15.260 1.00 74.44 C ATOM 1236 CG GLN A 622 -3.199 -33.358 16.181 1.00 13.42 C ATOM 1237 CD GLN A 622 -3.162 -33.844 17.631 1.00 4.35 C ATOM 1238 OE1 GLN A 622 -2.112 -33.996 18.235 1.00 13.43 O ATOM 1239 NE2 GLN A 622 -4.362 -34.078 18.155 1.00 65.31 N ATOM 0 H GLN A 622 -4.937 -35.248 13.045 1.00 2.15 H new ATOM 0 HA GLN A 622 -2.866 -33.264 13.732 1.00 51.35 H new ATOM 0 HB2 GLN A 622 -4.875 -34.349 15.256 1.00 74.44 H new ATOM 0 HB3 GLN A 622 -3.541 -35.417 15.642 1.00 74.44 H new ATOM 0 HG2 GLN A 622 -2.191 -33.105 15.853 1.00 13.42 H new ATOM 0 HG3 GLN A 622 -3.794 -32.447 16.114 1.00 13.42 H new ATOM 0 HE21 GLN A 622 -5.201 -33.930 17.594 1.00 65.31 H new ATOM 0 HE22 GLN A 622 -4.443 -34.405 19.118 1.00 65.31 H new ATOM 1248 N MET A 623 -0.898 -34.744 13.651 1.00 24.43 N ATOM 1249 CA MET A 623 0.281 -35.563 13.423 1.00 33.41 C ATOM 1250 C MET A 623 1.202 -35.551 14.645 1.00 60.14 C ATOM 1251 O MET A 623 1.439 -34.500 15.237 1.00 12.44 O ATOM 1252 CB MET A 623 1.041 -35.036 12.205 1.00 70.14 C ATOM 1253 CG MET A 623 0.266 -35.309 10.914 1.00 34.42 C ATOM 1254 SD MET A 623 0.753 -36.885 10.231 1.00 1.31 S ATOM 1255 CE MET A 623 0.339 -36.620 8.515 1.00 44.20 C ATOM 0 H MET A 623 -0.703 -33.768 13.873 1.00 24.43 H new ATOM 0 HA MET A 623 -0.041 -36.589 13.245 1.00 33.41 H new ATOM 0 HB2 MET A 623 1.209 -33.964 12.313 1.00 70.14 H new ATOM 0 HB3 MET A 623 2.022 -35.509 12.151 1.00 70.14 H new ATOM 0 HG2 MET A 623 -0.805 -35.306 11.116 1.00 34.42 H new ATOM 0 HG3 MET A 623 0.456 -34.516 10.191 1.00 34.42 H new ATOM 0 HE1 MET A 623 1.153 -36.977 7.885 1.00 44.20 H new ATOM 0 HE2 MET A 623 -0.573 -37.165 8.272 1.00 44.20 H new ATOM 0 HE3 MET A 623 0.184 -35.556 8.338 1.00 44.20 H new ATOM 1265 N ILE A 624 1.697 -36.732 14.985 1.00 71.13 N ATOM 1266 CA ILE A 624 2.587 -36.870 16.125 1.00 70.42 C ATOM 1267 C ILE A 624 4.008 -37.143 15.627 1.00 73.30 C ATOM 1268 O ILE A 624 4.196 -37.825 14.620 1.00 5.44 O ATOM 1269 CB ILE A 624 2.059 -37.933 17.091 1.00 61.02 C ATOM 1270 CG1 ILE A 624 0.610 -37.644 17.486 1.00 55.54 C ATOM 1271 CG2 ILE A 624 2.971 -38.064 18.313 1.00 73.54 C ATOM 1272 CD1 ILE A 624 -0.367 -38.328 16.527 1.00 40.00 C ATOM 0 H ILE A 624 1.499 -37.602 14.491 1.00 71.13 H new ATOM 0 HA ILE A 624 2.622 -35.942 16.696 1.00 70.42 H new ATOM 0 HB ILE A 624 2.067 -38.895 16.578 1.00 61.02 H new ATOM 0 HG12 ILE A 624 0.430 -37.992 18.503 1.00 55.54 H new ATOM 0 HG13 ILE A 624 0.436 -36.568 17.482 1.00 55.54 H new ATOM 0 HG21 ILE A 624 2.573 -38.826 18.984 1.00 73.54 H new ATOM 0 HG22 ILE A 624 3.972 -38.351 17.991 1.00 73.54 H new ATOM 0 HG23 ILE A 624 3.018 -37.109 18.836 1.00 73.54 H new ATOM 0 HD11 ILE A 624 -1.390 -38.106 16.831 1.00 40.00 H new ATOM 0 HD12 ILE A 624 -0.201 -37.960 15.515 1.00 40.00 H new ATOM 0 HD13 ILE A 624 -0.207 -39.406 16.552 1.00 40.00 H new ATOM 1284 N TYR A 625 4.971 -36.597 16.355 1.00 33.30 N ATOM 1285 CA TYR A 625 6.369 -36.773 16.000 1.00 74.30 C ATOM 1286 C TYR A 625 7.252 -36.803 17.249 1.00 60.11 C ATOM 1287 O TYR A 625 7.483 -35.770 17.875 1.00 42.32 O ATOM 1288 CB TYR A 625 6.745 -35.556 15.153 1.00 71.34 C ATOM 1289 CG TYR A 625 8.232 -35.198 15.203 1.00 35.52 C ATOM 1290 CD1 TYR A 625 9.177 -36.195 15.338 1.00 40.25 C ATOM 1291 CD2 TYR A 625 8.627 -33.879 15.115 1.00 62.14 C ATOM 1292 CE1 TYR A 625 10.576 -35.858 15.385 1.00 2.12 C ATOM 1293 CE2 TYR A 625 10.026 -33.542 15.162 1.00 24.23 C ATOM 1294 CZ TYR A 625 10.932 -34.548 15.295 1.00 31.33 C ATOM 1295 OH TYR A 625 12.253 -34.230 15.340 1.00 23.13 O ATOM 0 H TYR A 625 4.811 -36.032 17.189 1.00 33.30 H new ATOM 0 HA TYR A 625 6.515 -37.713 15.469 1.00 74.30 H new ATOM 0 HB2 TYR A 625 6.462 -35.745 14.118 1.00 71.34 H new ATOM 0 HB3 TYR A 625 6.164 -34.698 15.490 1.00 71.34 H new ATOM 0 HD1 TYR A 625 8.867 -37.227 15.408 1.00 40.25 H new ATOM 0 HD2 TYR A 625 7.887 -33.099 15.011 1.00 62.14 H new ATOM 0 HE1 TYR A 625 11.326 -36.628 15.489 1.00 2.12 H new ATOM 0 HE2 TYR A 625 10.349 -32.514 15.093 1.00 24.23 H new ATOM 0 HH TYR A 625 12.358 -33.259 15.263 1.00 23.13 H new ATOM 1305 N LYS A 626 7.722 -37.998 17.574 1.00 32.41 N ATOM 1306 CA LYS A 626 8.575 -38.176 18.737 1.00 34.40 C ATOM 1307 C LYS A 626 7.761 -37.914 20.006 1.00 72.22 C ATOM 1308 O LYS A 626 8.322 -37.597 21.053 1.00 24.33 O ATOM 1309 CB LYS A 626 9.828 -37.307 18.620 1.00 64.30 C ATOM 1310 CG LYS A 626 11.001 -38.110 18.054 1.00 62.35 C ATOM 1311 CD LYS A 626 11.280 -39.349 18.907 1.00 64.22 C ATOM 1312 CE LYS A 626 11.016 -39.066 20.387 1.00 72.40 C ATOM 1313 NZ LYS A 626 11.609 -40.127 21.231 1.00 32.44 N ATOM 0 H LYS A 626 7.528 -38.853 17.052 1.00 32.41 H new ATOM 0 HA LYS A 626 8.932 -39.204 18.794 1.00 34.40 H new ATOM 0 HB2 LYS A 626 9.623 -36.452 17.976 1.00 64.30 H new ATOM 0 HB3 LYS A 626 10.093 -36.911 19.600 1.00 64.30 H new ATOM 0 HG2 LYS A 626 10.780 -38.411 17.030 1.00 62.35 H new ATOM 0 HG3 LYS A 626 11.891 -37.482 18.016 1.00 62.35 H new ATOM 0 HD2 LYS A 626 10.651 -40.174 18.573 1.00 64.22 H new ATOM 0 HD3 LYS A 626 12.315 -39.662 18.772 1.00 64.22 H new ATOM 0 HE2 LYS A 626 11.438 -38.098 20.659 1.00 72.40 H new ATOM 0 HE3 LYS A 626 9.942 -39.008 20.566 1.00 72.40 H new ATOM 0 HZ1 LYS A 626 11.421 -39.920 22.233 1.00 32.44 H new ATOM 0 HZ2 LYS A 626 11.188 -41.045 20.982 1.00 32.44 H new ATOM 0 HZ3 LYS A 626 12.636 -40.163 21.072 1.00 32.44 H new ATOM 1326 N SER A 627 6.451 -38.056 19.870 1.00 54.11 N ATOM 1327 CA SER A 627 5.554 -37.838 20.992 1.00 32.34 C ATOM 1328 C SER A 627 5.213 -36.351 21.109 1.00 32.40 C ATOM 1329 O SER A 627 5.093 -35.823 22.213 1.00 21.03 O ATOM 1330 CB SER A 627 6.172 -38.345 22.297 1.00 34.11 C ATOM 1331 OG SER A 627 6.922 -37.332 22.961 1.00 1.03 O ATOM 0 H SER A 627 5.989 -38.319 19.000 1.00 54.11 H new ATOM 0 HA SER A 627 4.638 -38.401 20.812 1.00 32.34 H new ATOM 0 HB2 SER A 627 5.382 -38.703 22.957 1.00 34.11 H new ATOM 0 HB3 SER A 627 6.820 -39.196 22.085 1.00 34.11 H new ATOM 0 HG SER A 627 7.812 -37.266 22.556 1.00 1.03 H new ATOM 1337 N VAL A 628 5.066 -35.718 19.954 1.00 32.54 N ATOM 1338 CA VAL A 628 4.741 -34.303 19.913 1.00 51.20 C ATOM 1339 C VAL A 628 3.437 -34.106 19.137 1.00 42.33 C ATOM 1340 O VAL A 628 3.398 -34.299 17.923 1.00 63.04 O ATOM 1341 CB VAL A 628 5.912 -33.514 19.324 1.00 3.03 C ATOM 1342 CG1 VAL A 628 5.504 -32.071 19.021 1.00 61.14 C ATOM 1343 CG2 VAL A 628 7.125 -33.556 20.256 1.00 21.31 C ATOM 0 H VAL A 628 5.166 -36.159 19.040 1.00 32.54 H new ATOM 0 HA VAL A 628 4.581 -33.918 20.920 1.00 51.20 H new ATOM 0 HB VAL A 628 6.195 -33.987 18.383 1.00 3.03 H new ATOM 0 HG11 VAL A 628 6.355 -31.532 18.603 1.00 61.14 H new ATOM 0 HG12 VAL A 628 4.684 -32.068 18.303 1.00 61.14 H new ATOM 0 HG13 VAL A 628 5.182 -31.583 19.941 1.00 61.14 H new ATOM 0 HG21 VAL A 628 7.943 -32.988 19.814 1.00 21.31 H new ATOM 0 HG22 VAL A 628 6.859 -33.120 21.219 1.00 21.31 H new ATOM 0 HG23 VAL A 628 7.438 -34.590 20.400 1.00 21.31 H new ATOM 1353 N LYS A 629 2.402 -33.723 19.869 1.00 34.53 N ATOM 1354 CA LYS A 629 1.100 -33.498 19.265 1.00 73.12 C ATOM 1355 C LYS A 629 1.146 -32.219 18.426 1.00 62.42 C ATOM 1356 O LYS A 629 1.058 -31.117 18.963 1.00 3.53 O ATOM 1357 CB LYS A 629 0.006 -33.492 20.335 1.00 71.13 C ATOM 1358 CG LYS A 629 -0.180 -34.887 20.936 1.00 1.45 C ATOM 1359 CD LYS A 629 -0.919 -35.809 19.965 1.00 41.01 C ATOM 1360 CE LYS A 629 -2.433 -35.716 20.165 1.00 21.30 C ATOM 1361 NZ LYS A 629 -2.859 -36.567 21.299 1.00 61.24 N ATOM 0 H LYS A 629 2.438 -33.563 20.876 1.00 34.53 H new ATOM 0 HA LYS A 629 0.848 -34.315 18.589 1.00 73.12 H new ATOM 0 HB2 LYS A 629 0.266 -32.785 21.122 1.00 71.13 H new ATOM 0 HB3 LYS A 629 -0.933 -33.152 19.898 1.00 71.13 H new ATOM 0 HG2 LYS A 629 0.793 -35.314 21.180 1.00 1.45 H new ATOM 0 HG3 LYS A 629 -0.739 -34.813 21.869 1.00 1.45 H new ATOM 0 HD2 LYS A 629 -0.667 -35.540 18.939 1.00 41.01 H new ATOM 0 HD3 LYS A 629 -0.591 -36.838 20.114 1.00 41.01 H new ATOM 0 HE2 LYS A 629 -2.718 -34.681 20.352 1.00 21.30 H new ATOM 0 HE3 LYS A 629 -2.946 -36.028 19.255 1.00 21.30 H new ATOM 0 HZ1 LYS A 629 -3.889 -36.492 21.421 1.00 61.24 H new ATOM 0 HZ2 LYS A 629 -2.604 -37.557 21.105 1.00 61.24 H new ATOM 0 HZ3 LYS A 629 -2.384 -36.251 22.168 1.00 61.24 H new ATOM 1374 N LEU A 630 1.284 -32.410 17.122 1.00 4.00 N ATOM 1375 CA LEU A 630 1.344 -31.286 16.203 1.00 13.45 C ATOM 1376 C LEU A 630 0.164 -31.363 15.232 1.00 31.15 C ATOM 1377 O LEU A 630 0.104 -32.261 14.394 1.00 54.34 O ATOM 1378 CB LEU A 630 2.707 -31.230 15.511 1.00 22.54 C ATOM 1379 CG LEU A 630 3.929 -31.296 16.430 1.00 11.43 C ATOM 1380 CD1 LEU A 630 5.226 -31.180 15.627 1.00 12.00 C ATOM 1381 CD2 LEU A 630 3.842 -30.239 17.534 1.00 70.33 C ATOM 0 H LEU A 630 1.356 -33.326 16.680 1.00 4.00 H new ATOM 0 HA LEU A 630 1.250 -30.346 16.746 1.00 13.45 H new ATOM 0 HB2 LEU A 630 2.766 -32.055 14.801 1.00 22.54 H new ATOM 0 HB3 LEU A 630 2.761 -30.308 14.933 1.00 22.54 H new ATOM 0 HG LEU A 630 3.938 -32.271 16.917 1.00 11.43 H new ATOM 0 HD11 LEU A 630 6.079 -31.230 16.304 1.00 12.00 H new ATOM 0 HD12 LEU A 630 5.284 -31.998 14.909 1.00 12.00 H new ATOM 0 HD13 LEU A 630 5.240 -30.229 15.095 1.00 12.00 H new ATOM 0 HD21 LEU A 630 4.722 -30.307 18.173 1.00 70.33 H new ATOM 0 HD22 LEU A 630 3.796 -29.247 17.085 1.00 70.33 H new ATOM 0 HD23 LEU A 630 2.946 -30.409 18.131 1.00 70.33 H new ATOM 1393 N PRO A 631 -0.769 -30.385 15.383 1.00 72.15 N ATOM 1394 CA PRO A 631 -1.944 -30.334 14.529 1.00 61.21 C ATOM 1395 C PRO A 631 -1.585 -29.825 13.132 1.00 64.05 C ATOM 1396 O PRO A 631 -0.858 -28.842 12.993 1.00 62.42 O ATOM 1397 CB PRO A 631 -2.921 -29.427 15.259 1.00 73.25 C ATOM 1398 CG PRO A 631 -2.091 -28.636 16.256 1.00 22.22 C ATOM 1399 CD PRO A 631 -0.731 -29.306 16.365 1.00 3.11 C ATOM 0 HA PRO A 631 -2.384 -31.317 14.359 1.00 61.21 H new ATOM 0 HB2 PRO A 631 -3.432 -28.763 14.562 1.00 73.25 H new ATOM 0 HB3 PRO A 631 -3.690 -30.009 15.766 1.00 73.25 H new ATOM 0 HG2 PRO A 631 -1.982 -27.602 15.927 1.00 22.22 H new ATOM 0 HG3 PRO A 631 -2.583 -28.611 17.228 1.00 22.22 H new ATOM 0 HD2 PRO A 631 0.075 -28.604 16.151 1.00 3.11 H new ATOM 0 HD3 PRO A 631 -0.559 -29.691 17.370 1.00 3.11 H new ATOM 1407 N VAL A 632 -2.111 -30.517 12.131 1.00 3.53 N ATOM 1408 CA VAL A 632 -1.855 -30.147 10.750 1.00 43.44 C ATOM 1409 C VAL A 632 -3.037 -29.335 10.216 1.00 3.53 C ATOM 1410 O VAL A 632 -4.107 -29.884 9.961 1.00 51.03 O ATOM 1411 CB VAL A 632 -1.565 -31.398 9.918 1.00 53.11 C ATOM 1412 CG1 VAL A 632 -1.083 -31.024 8.515 1.00 75.12 C ATOM 1413 CG2 VAL A 632 -0.552 -32.302 10.623 1.00 75.52 C ATOM 0 H VAL A 632 -2.713 -31.332 12.250 1.00 3.53 H new ATOM 0 HA VAL A 632 -0.969 -29.515 10.682 1.00 43.44 H new ATOM 0 HB VAL A 632 -2.496 -31.955 9.815 1.00 53.11 H new ATOM 0 HG11 VAL A 632 -0.884 -31.931 7.945 1.00 75.12 H new ATOM 0 HG12 VAL A 632 -1.852 -30.439 8.010 1.00 75.12 H new ATOM 0 HG13 VAL A 632 -0.169 -30.435 8.589 1.00 75.12 H new ATOM 0 HG21 VAL A 632 -0.363 -33.184 10.011 1.00 75.52 H new ATOM 0 HG22 VAL A 632 0.380 -31.757 10.771 1.00 75.52 H new ATOM 0 HG23 VAL A 632 -0.950 -32.610 11.590 1.00 75.52 H new ATOM 1423 N LEU A 633 -2.803 -28.039 10.064 1.00 22.31 N ATOM 1424 CA LEU A 633 -3.835 -27.146 9.566 1.00 62.02 C ATOM 1425 C LEU A 633 -3.461 -26.677 8.158 1.00 1.55 C ATOM 1426 O LEU A 633 -2.355 -26.936 7.687 1.00 22.01 O ATOM 1427 CB LEU A 633 -4.075 -26.001 10.552 1.00 21.54 C ATOM 1428 CG LEU A 633 -3.940 -26.355 12.035 1.00 4.50 C ATOM 1429 CD1 LEU A 633 -4.295 -27.822 12.284 1.00 40.41 C ATOM 1430 CD2 LEU A 633 -2.544 -26.006 12.556 1.00 21.54 C ATOM 0 H LEU A 633 -1.914 -27.587 10.277 1.00 22.31 H new ATOM 0 HA LEU A 633 -4.787 -27.671 9.486 1.00 62.02 H new ATOM 0 HB2 LEU A 633 -3.373 -25.199 10.325 1.00 21.54 H new ATOM 0 HB3 LEU A 633 -5.077 -25.606 10.383 1.00 21.54 H new ATOM 0 HG LEU A 633 -4.654 -25.752 12.597 1.00 4.50 H new ATOM 0 HD11 LEU A 633 -4.191 -28.046 13.346 1.00 40.41 H new ATOM 0 HD12 LEU A 633 -5.324 -28.005 11.974 1.00 40.41 H new ATOM 0 HD13 LEU A 633 -3.624 -28.461 11.710 1.00 40.41 H new ATOM 0 HD21 LEU A 633 -2.474 -26.267 13.612 1.00 21.54 H new ATOM 0 HD22 LEU A 633 -1.796 -26.564 11.994 1.00 21.54 H new ATOM 0 HD23 LEU A 633 -2.367 -24.937 12.434 1.00 21.54 H new ATOM 1442 N LYS A 634 -4.404 -25.994 7.527 1.00 54.31 N ATOM 1443 CA LYS A 634 -4.188 -25.486 6.183 1.00 41.41 C ATOM 1444 C LYS A 634 -3.839 -23.998 6.255 1.00 42.31 C ATOM 1445 O LYS A 634 -3.667 -23.449 7.342 1.00 2.31 O ATOM 1446 CB LYS A 634 -5.395 -25.792 5.293 1.00 4.25 C ATOM 1447 CG LYS A 634 -5.824 -27.253 5.436 1.00 33.34 C ATOM 1448 CD LYS A 634 -7.349 -27.382 5.406 1.00 65.24 C ATOM 1449 CE LYS A 634 -7.956 -26.457 4.349 1.00 63.42 C ATOM 1450 NZ LYS A 634 -9.230 -27.015 3.843 1.00 12.51 N ATOM 0 H LYS A 634 -5.320 -25.780 7.922 1.00 54.31 H new ATOM 0 HA LYS A 634 -3.342 -25.991 5.717 1.00 41.41 H new ATOM 0 HB2 LYS A 634 -6.224 -25.138 5.561 1.00 4.25 H new ATOM 0 HB3 LYS A 634 -5.147 -25.582 4.253 1.00 4.25 H new ATOM 0 HG2 LYS A 634 -5.389 -27.844 4.630 1.00 33.34 H new ATOM 0 HG3 LYS A 634 -5.439 -27.659 6.372 1.00 33.34 H new ATOM 0 HD2 LYS A 634 -7.626 -28.415 5.193 1.00 65.24 H new ATOM 0 HD3 LYS A 634 -7.758 -27.138 6.386 1.00 65.24 H new ATOM 0 HE2 LYS A 634 -8.129 -25.470 4.777 1.00 63.42 H new ATOM 0 HE3 LYS A 634 -7.255 -26.328 3.524 1.00 63.42 H new ATOM 0 HZ1 LYS A 634 -9.654 -26.351 3.164 1.00 12.51 H new ATOM 0 HZ2 LYS A 634 -9.048 -27.924 3.371 1.00 12.51 H new ATOM 0 HZ3 LYS A 634 -9.884 -27.163 4.638 1.00 12.51 H new ATOM 1463 N VAL A 635 -3.745 -23.387 5.083 1.00 65.33 N ATOM 1464 CA VAL A 635 -3.419 -21.974 4.999 1.00 10.31 C ATOM 1465 C VAL A 635 -4.673 -21.188 4.609 1.00 21.25 C ATOM 1466 O VAL A 635 -4.833 -20.033 5.000 1.00 5.04 O ATOM 1467 CB VAL A 635 -2.255 -21.761 4.029 1.00 30.21 C ATOM 1468 CG1 VAL A 635 -2.616 -22.250 2.625 1.00 44.43 C ATOM 1469 CG2 VAL A 635 -1.822 -20.294 4.005 1.00 12.12 C ATOM 0 H VAL A 635 -3.889 -23.845 4.183 1.00 65.33 H new ATOM 0 HA VAL A 635 -3.089 -21.601 5.968 1.00 10.31 H new ATOM 0 HB VAL A 635 -1.411 -22.353 4.383 1.00 30.21 H new ATOM 0 HG11 VAL A 635 -1.772 -22.087 1.955 1.00 44.43 H new ATOM 0 HG12 VAL A 635 -2.852 -23.314 2.660 1.00 44.43 H new ATOM 0 HG13 VAL A 635 -3.482 -21.698 2.259 1.00 44.43 H new ATOM 0 HG21 VAL A 635 -0.993 -20.171 3.308 1.00 12.12 H new ATOM 0 HG22 VAL A 635 -2.659 -19.673 3.687 1.00 12.12 H new ATOM 0 HG23 VAL A 635 -1.504 -19.992 5.003 1.00 12.12 H new ATOM 1479 N ARG A 636 -5.531 -21.847 3.844 1.00 44.41 N ATOM 1480 CA ARG A 636 -6.765 -21.224 3.397 1.00 34.50 C ATOM 1481 C ARG A 636 -7.836 -21.329 4.485 1.00 74.23 C ATOM 1482 O ARG A 636 -8.955 -20.849 4.308 1.00 42.23 O ATOM 1483 CB ARG A 636 -7.282 -21.884 2.117 1.00 53.42 C ATOM 1484 CG ARG A 636 -7.964 -23.219 2.424 1.00 4.30 C ATOM 1485 CD ARG A 636 -8.526 -23.853 1.150 1.00 22.44 C ATOM 1486 NE ARG A 636 -8.315 -25.318 1.179 1.00 43.10 N ATOM 1487 CZ ARG A 636 -9.092 -26.207 0.525 1.00 24.50 C ATOM 1488 NH1 ARG A 636 -10.139 -25.788 -0.216 1.00 14.24 N ATOM 1489 NH2 ARG A 636 -8.811 -27.494 0.621 1.00 54.23 N ATOM 0 H ARG A 636 -5.396 -22.806 3.523 1.00 44.41 H new ATOM 0 HA ARG A 636 -6.552 -20.175 3.191 1.00 34.50 H new ATOM 0 HB2 ARG A 636 -7.987 -21.218 1.619 1.00 53.42 H new ATOM 0 HB3 ARG A 636 -6.454 -22.045 1.427 1.00 53.42 H new ATOM 0 HG2 ARG A 636 -7.249 -23.899 2.888 1.00 4.30 H new ATOM 0 HG3 ARG A 636 -8.769 -23.064 3.143 1.00 4.30 H new ATOM 0 HD2 ARG A 636 -9.590 -23.632 1.063 1.00 22.44 H new ATOM 0 HD3 ARG A 636 -8.038 -23.424 0.275 1.00 22.44 H new ATOM 0 HE ARG A 636 -7.534 -25.678 1.727 1.00 43.10 H new ATOM 0 HH11 ARG A 636 -10.349 -24.792 -0.285 1.00 14.24 H new ATOM 0 HH12 ARG A 636 -10.721 -26.467 -0.707 1.00 14.24 H new ATOM 0 HH21 ARG A 636 -8.017 -27.802 1.183 1.00 54.23 H new ATOM 0 HH22 ARG A 636 -9.388 -28.180 0.133 1.00 54.23 H new ATOM 1502 N SER A 637 -7.456 -21.960 5.586 1.00 73.11 N ATOM 1503 CA SER A 637 -8.370 -22.134 6.702 1.00 12.01 C ATOM 1504 C SER A 637 -7.904 -21.297 7.895 1.00 20.43 C ATOM 1505 O SER A 637 -8.652 -21.102 8.852 1.00 75.43 O ATOM 1506 CB SER A 637 -8.482 -23.608 7.098 1.00 3.53 C ATOM 1507 OG SER A 637 -9.531 -23.830 8.036 1.00 20.25 O ATOM 0 H SER A 637 -6.527 -22.357 5.729 1.00 73.11 H new ATOM 0 HA SER A 637 -9.358 -21.794 6.392 1.00 12.01 H new ATOM 0 HB2 SER A 637 -8.659 -24.210 6.207 1.00 3.53 H new ATOM 0 HB3 SER A 637 -7.536 -23.941 7.526 1.00 3.53 H new ATOM 0 HG SER A 637 -9.151 -23.928 8.934 1.00 20.25 H new ATOM 1513 N MET A 638 -6.670 -20.825 7.800 1.00 63.30 N ATOM 1514 CA MET A 638 -6.095 -20.014 8.860 1.00 63.24 C ATOM 1515 C MET A 638 -5.956 -18.555 8.419 1.00 25.53 C ATOM 1516 O MET A 638 -5.347 -18.270 7.390 1.00 44.55 O ATOM 1517 CB MET A 638 -4.719 -20.567 9.237 1.00 61.33 C ATOM 1518 CG MET A 638 -4.849 -21.890 9.994 1.00 22.23 C ATOM 1519 SD MET A 638 -5.567 -21.604 11.603 1.00 23.33 S ATOM 1520 CE MET A 638 -7.102 -22.497 11.421 1.00 44.10 C ATOM 0 H MET A 638 -6.052 -20.989 7.005 1.00 63.30 H new ATOM 0 HA MET A 638 -6.760 -20.052 9.723 1.00 63.24 H new ATOM 0 HB2 MET A 638 -4.124 -20.716 8.336 1.00 61.33 H new ATOM 0 HB3 MET A 638 -4.188 -19.842 9.853 1.00 61.33 H new ATOM 0 HG2 MET A 638 -5.470 -22.583 9.427 1.00 22.23 H new ATOM 0 HG3 MET A 638 -3.869 -22.355 10.101 1.00 22.23 H new ATOM 0 HE1 MET A 638 -7.895 -21.970 11.952 1.00 44.10 H new ATOM 0 HE2 MET A 638 -7.358 -22.568 10.364 1.00 44.10 H new ATOM 0 HE3 MET A 638 -6.992 -23.499 11.836 1.00 44.10 H new ATOM 1530 N LEU A 639 -6.530 -17.671 9.221 1.00 31.34 N ATOM 1531 CA LEU A 639 -6.478 -16.249 8.927 1.00 22.25 C ATOM 1532 C LEU A 639 -5.210 -15.652 9.541 1.00 22.32 C ATOM 1533 O LEU A 639 -4.884 -15.930 10.694 1.00 23.42 O ATOM 1534 CB LEU A 639 -7.765 -15.560 9.384 1.00 73.00 C ATOM 1535 CG LEU A 639 -8.212 -14.356 8.553 1.00 12.50 C ATOM 1536 CD1 LEU A 639 -7.009 -13.535 8.086 1.00 3.42 C ATOM 1537 CD2 LEU A 639 -9.096 -14.794 7.383 1.00 4.12 C ATOM 0 H LEU A 639 -7.034 -17.912 10.075 1.00 31.34 H new ATOM 0 HA LEU A 639 -6.420 -16.084 7.851 1.00 22.25 H new ATOM 0 HB2 LEU A 639 -8.569 -16.296 9.382 1.00 73.00 H new ATOM 0 HB3 LEU A 639 -7.633 -15.235 10.416 1.00 73.00 H new ATOM 0 HG LEU A 639 -8.817 -13.709 9.188 1.00 12.50 H new ATOM 0 HD11 LEU A 639 -7.355 -12.685 7.497 1.00 3.42 H new ATOM 0 HD12 LEU A 639 -6.456 -13.175 8.953 1.00 3.42 H new ATOM 0 HD13 LEU A 639 -6.358 -14.159 7.474 1.00 3.42 H new ATOM 0 HD21 LEU A 639 -9.400 -13.919 6.809 1.00 4.12 H new ATOM 0 HD22 LEU A 639 -8.538 -15.474 6.740 1.00 4.12 H new ATOM 0 HD23 LEU A 639 -9.981 -15.302 7.766 1.00 4.12 H new ATOM 1549 N LEU A 640 -4.529 -14.843 8.743 1.00 11.23 N ATOM 1550 CA LEU A 640 -3.304 -14.204 9.194 1.00 70.24 C ATOM 1551 C LEU A 640 -3.574 -12.721 9.457 1.00 31.55 C ATOM 1552 O LEU A 640 -3.543 -11.907 8.536 1.00 64.51 O ATOM 1553 CB LEU A 640 -2.171 -14.455 8.196 1.00 12.13 C ATOM 1554 CG LEU A 640 -1.481 -15.817 8.294 1.00 5.32 C ATOM 1555 CD1 LEU A 640 -2.369 -16.831 9.017 1.00 62.22 C ATOM 1556 CD2 LEU A 640 -1.050 -16.314 6.913 1.00 43.52 C ATOM 0 H LEU A 640 -4.802 -14.615 7.787 1.00 11.23 H new ATOM 0 HA LEU A 640 -2.971 -14.640 10.136 1.00 70.24 H new ATOM 0 HB2 LEU A 640 -2.570 -14.344 7.188 1.00 12.13 H new ATOM 0 HB3 LEU A 640 -1.418 -13.678 8.328 1.00 12.13 H new ATOM 0 HG LEU A 640 -0.576 -15.699 8.890 1.00 5.32 H new ATOM 0 HD11 LEU A 640 -1.855 -17.790 9.073 1.00 62.22 H new ATOM 0 HD12 LEU A 640 -2.582 -16.474 10.025 1.00 62.22 H new ATOM 0 HD13 LEU A 640 -3.304 -16.952 8.469 1.00 62.22 H new ATOM 0 HD21 LEU A 640 -0.562 -17.284 7.011 1.00 43.52 H new ATOM 0 HD22 LEU A 640 -1.926 -16.412 6.272 1.00 43.52 H new ATOM 0 HD23 LEU A 640 -0.354 -15.601 6.471 1.00 43.52 H new ATOM 1568 N GLU A 641 -3.834 -12.416 10.720 1.00 5.33 N ATOM 1569 CA GLU A 641 -4.109 -11.045 11.117 1.00 21.30 C ATOM 1570 C GLU A 641 -2.822 -10.218 11.098 1.00 23.45 C ATOM 1571 O GLU A 641 -1.836 -10.583 11.738 1.00 72.13 O ATOM 1572 CB GLU A 641 -4.772 -10.996 12.495 1.00 73.12 C ATOM 1573 CG GLU A 641 -6.251 -10.622 12.378 1.00 12.13 C ATOM 1574 CD GLU A 641 -6.908 -10.544 13.758 1.00 25.43 C ATOM 1575 OE1 GLU A 641 -8.143 -10.490 13.855 1.00 5.12 O ATOM 1576 OE2 GLU A 641 -6.086 -10.543 14.753 1.00 14.02 O ATOM 0 H GLU A 641 -3.860 -13.094 11.481 1.00 5.33 H new ATOM 0 HA GLU A 641 -4.806 -10.612 10.399 1.00 21.30 H new ATOM 0 HB2 GLU A 641 -4.676 -11.966 12.984 1.00 73.12 H new ATOM 0 HB3 GLU A 641 -4.258 -10.269 13.124 1.00 73.12 H new ATOM 0 HG2 GLU A 641 -6.348 -9.662 11.870 1.00 12.13 H new ATOM 0 HG3 GLU A 641 -6.769 -11.360 11.766 1.00 12.13 H new ATOM 1584 N THR A 642 -2.872 -9.120 10.359 1.00 72.31 N ATOM 1585 CA THR A 642 -1.722 -8.239 10.249 1.00 54.34 C ATOM 1586 C THR A 642 -2.155 -6.778 10.390 1.00 40.03 C ATOM 1587 O THR A 642 -3.327 -6.454 10.208 1.00 54.31 O ATOM 1588 CB THR A 642 -1.021 -8.539 8.922 1.00 35.54 C ATOM 1589 OG1 THR A 642 -1.490 -7.521 8.043 1.00 35.10 O ATOM 1590 CG2 THR A 642 -1.512 -9.840 8.282 1.00 14.42 C ATOM 0 H THR A 642 -3.691 -8.820 9.830 1.00 72.31 H new ATOM 0 HA THR A 642 -1.011 -8.415 11.056 1.00 54.34 H new ATOM 0 HB THR A 642 0.055 -8.598 9.085 1.00 35.54 H new ATOM 0 HG1 THR A 642 -2.298 -7.832 7.584 1.00 35.10 H new ATOM 0 HG21 THR A 642 -0.983 -10.006 7.343 1.00 14.42 H new ATOM 0 HG22 THR A 642 -1.321 -10.673 8.958 1.00 14.42 H new ATOM 0 HG23 THR A 642 -2.582 -9.769 8.088 1.00 14.42 H new ATOM 1598 N PRO A 643 -1.159 -5.913 10.721 1.00 31.21 N ATOM 1599 CA PRO A 643 -1.425 -4.495 10.889 1.00 43.54 C ATOM 1600 C PRO A 643 -1.617 -3.809 9.534 1.00 3.14 C ATOM 1601 O PRO A 643 -1.811 -2.596 9.471 1.00 51.03 O ATOM 1602 CB PRO A 643 -0.230 -3.959 11.662 1.00 74.35 C ATOM 1603 CG PRO A 643 0.872 -4.993 11.494 1.00 53.41 C ATOM 1604 CD PRO A 643 0.241 -6.262 10.944 1.00 1.42 C ATOM 0 HA PRO A 643 -2.351 -4.302 11.430 1.00 43.54 H new ATOM 0 HB2 PRO A 643 0.082 -2.989 11.275 1.00 74.35 H new ATOM 0 HB3 PRO A 643 -0.477 -3.818 12.714 1.00 74.35 H new ATOM 0 HG2 PRO A 643 1.641 -4.624 10.815 1.00 53.41 H new ATOM 0 HG3 PRO A 643 1.358 -5.191 12.449 1.00 53.41 H new ATOM 0 HD2 PRO A 643 0.723 -6.575 10.018 1.00 1.42 H new ATOM 0 HD3 PRO A 643 0.336 -7.089 11.648 1.00 1.42 H new ATOM 1612 N GLN A 644 -1.556 -4.615 8.485 1.00 65.21 N ATOM 1613 CA GLN A 644 -1.720 -4.101 7.136 1.00 73.43 C ATOM 1614 C GLN A 644 -3.065 -4.548 6.558 1.00 21.02 C ATOM 1615 O GLN A 644 -3.482 -4.068 5.505 1.00 34.33 O ATOM 1616 CB GLN A 644 -0.564 -4.542 6.236 1.00 2.12 C ATOM 1617 CG GLN A 644 0.781 -4.362 6.944 1.00 34.10 C ATOM 1618 CD GLN A 644 1.935 -4.371 5.939 1.00 33.25 C ATOM 1619 OE1 GLN A 644 2.248 -3.377 5.306 1.00 51.23 O ATOM 1620 NE2 GLN A 644 2.548 -5.546 5.830 1.00 34.42 N ATOM 0 H GLN A 644 -1.395 -5.621 8.542 1.00 65.21 H new ATOM 0 HA GLN A 644 -1.708 -3.012 7.180 1.00 73.43 H new ATOM 0 HB2 GLN A 644 -0.695 -5.587 5.956 1.00 2.12 H new ATOM 0 HB3 GLN A 644 -0.574 -3.961 5.314 1.00 2.12 H new ATOM 0 HG2 GLN A 644 0.782 -3.422 7.496 1.00 34.10 H new ATOM 0 HG3 GLN A 644 0.922 -5.160 7.673 1.00 34.10 H new ATOM 0 HE21 GLN A 644 2.235 -6.339 6.390 1.00 34.42 H new ATOM 0 HE22 GLN A 644 3.332 -5.655 5.186 1.00 34.42 H new ATOM 1629 N GLY A 645 -3.706 -5.461 7.273 1.00 63.42 N ATOM 1630 CA GLY A 645 -4.994 -5.978 6.844 1.00 34.15 C ATOM 1631 C GLY A 645 -4.969 -7.505 6.751 1.00 74.02 C ATOM 1632 O GLY A 645 -3.983 -8.087 6.302 1.00 52.14 O ATOM 0 H GLY A 645 -3.357 -5.856 8.146 1.00 63.42 H new ATOM 0 HA2 GLY A 645 -5.767 -5.666 7.546 1.00 34.15 H new ATOM 0 HA3 GLY A 645 -5.255 -5.555 5.874 1.00 34.15 H new ATOM 1636 N ARG A 646 -6.066 -8.111 7.182 1.00 10.53 N ATOM 1637 CA ARG A 646 -6.182 -9.559 7.153 1.00 53.42 C ATOM 1638 C ARG A 646 -5.713 -10.101 5.802 1.00 63.44 C ATOM 1639 O ARG A 646 -5.779 -9.403 4.791 1.00 2.02 O ATOM 1640 CB ARG A 646 -7.626 -10.000 7.398 1.00 34.31 C ATOM 1641 CG ARG A 646 -7.846 -10.366 8.867 1.00 22.05 C ATOM 1642 CD ARG A 646 -9.247 -10.940 9.086 1.00 31.32 C ATOM 1643 NE ARG A 646 -10.256 -9.862 8.991 1.00 34.10 N ATOM 1644 CZ ARG A 646 -10.607 -9.061 10.019 1.00 12.23 C ATOM 1645 NH1 ARG A 646 -10.032 -9.210 11.231 1.00 21.04 N ATOM 1646 NH2 ARG A 646 -11.521 -8.129 9.822 1.00 73.33 N ATOM 0 H ARG A 646 -6.882 -7.625 7.553 1.00 10.53 H new ATOM 0 HA ARG A 646 -5.552 -9.959 7.948 1.00 53.42 H new ATOM 0 HB2 ARG A 646 -8.308 -9.199 7.113 1.00 34.31 H new ATOM 0 HB3 ARG A 646 -7.860 -10.857 6.767 1.00 34.31 H new ATOM 0 HG2 ARG A 646 -7.098 -11.094 9.180 1.00 22.05 H new ATOM 0 HG3 ARG A 646 -7.710 -9.482 9.490 1.00 22.05 H new ATOM 0 HD2 ARG A 646 -9.454 -11.710 8.342 1.00 31.32 H new ATOM 0 HD3 ARG A 646 -9.304 -11.418 10.064 1.00 31.32 H new ATOM 0 HE ARG A 646 -10.715 -9.715 8.092 1.00 34.10 H new ATOM 0 HH11 ARG A 646 -9.326 -9.932 11.375 1.00 21.04 H new ATOM 0 HH12 ARG A 646 -10.303 -8.600 12.003 1.00 21.04 H new ATOM 0 HH21 ARG A 646 -11.951 -8.022 8.903 1.00 73.33 H new ATOM 0 HH22 ARG A 646 -11.797 -7.516 10.589 1.00 73.33 H new ATOM 1659 N ILE A 647 -5.249 -11.342 5.827 1.00 20.21 N ATOM 1660 CA ILE A 647 -4.769 -11.987 4.617 1.00 44.34 C ATOM 1661 C ILE A 647 -5.243 -13.441 4.596 1.00 60.23 C ATOM 1662 O ILE A 647 -5.010 -14.188 5.545 1.00 5.30 O ATOM 1663 CB ILE A 647 -3.251 -11.833 4.494 1.00 53.12 C ATOM 1664 CG1 ILE A 647 -2.862 -10.365 4.305 1.00 35.15 C ATOM 1665 CG2 ILE A 647 -2.699 -12.720 3.376 1.00 30.12 C ATOM 1666 CD1 ILE A 647 -1.418 -10.120 4.746 1.00 11.45 C ATOM 0 H ILE A 647 -5.195 -11.918 6.667 1.00 20.21 H new ATOM 0 HA ILE A 647 -5.188 -11.502 3.735 1.00 44.34 H new ATOM 0 HB ILE A 647 -2.797 -12.169 5.426 1.00 53.12 H new ATOM 0 HG12 ILE A 647 -2.979 -10.086 3.258 1.00 35.15 H new ATOM 0 HG13 ILE A 647 -3.535 -9.730 4.881 1.00 35.15 H new ATOM 0 HG21 ILE A 647 -1.619 -12.592 3.310 1.00 30.12 H new ATOM 0 HG22 ILE A 647 -2.928 -13.763 3.593 1.00 30.12 H new ATOM 0 HG23 ILE A 647 -3.157 -12.438 2.428 1.00 30.12 H new ATOM 0 HD11 ILE A 647 -1.167 -9.069 4.601 1.00 11.45 H new ATOM 0 HD12 ILE A 647 -1.311 -10.377 5.800 1.00 11.45 H new ATOM 0 HD13 ILE A 647 -0.746 -10.739 4.151 1.00 11.45 H new ATOM 1678 N GLN A 648 -5.900 -13.800 3.503 1.00 74.02 N ATOM 1679 CA GLN A 648 -6.410 -15.152 3.346 1.00 43.22 C ATOM 1680 C GLN A 648 -5.894 -15.765 2.042 1.00 33.12 C ATOM 1681 O GLN A 648 -6.473 -15.548 0.979 1.00 44.24 O ATOM 1682 CB GLN A 648 -7.939 -15.171 3.394 1.00 43.45 C ATOM 1683 CG GLN A 648 -8.446 -16.326 4.259 1.00 51.10 C ATOM 1684 CD GLN A 648 -9.635 -17.026 3.597 1.00 2.21 C ATOM 1685 OE1 GLN A 648 -10.779 -16.623 3.731 1.00 23.23 O ATOM 1686 NE2 GLN A 648 -9.302 -18.093 2.877 1.00 63.21 N ATOM 0 H GLN A 648 -6.091 -13.178 2.717 1.00 74.02 H new ATOM 0 HA GLN A 648 -6.047 -15.756 4.178 1.00 43.22 H new ATOM 0 HB2 GLN A 648 -8.306 -14.225 3.793 1.00 43.45 H new ATOM 0 HB3 GLN A 648 -8.337 -15.267 2.384 1.00 43.45 H new ATOM 0 HG2 GLN A 648 -7.642 -17.043 4.422 1.00 51.10 H new ATOM 0 HG3 GLN A 648 -8.740 -15.949 5.239 1.00 51.10 H new ATOM 0 HE21 GLN A 648 -8.325 -18.376 2.807 1.00 63.21 H new ATOM 0 HE22 GLN A 648 -10.024 -18.629 2.395 1.00 63.21 H new ATOM 1695 N ALA A 649 -4.812 -16.519 2.168 1.00 72.24 N ATOM 1696 CA ALA A 649 -4.212 -17.165 1.013 1.00 74.44 C ATOM 1697 C ALA A 649 -4.868 -18.531 0.800 1.00 30.43 C ATOM 1698 O ALA A 649 -5.736 -18.934 1.573 1.00 21.32 O ATOM 1699 CB ALA A 649 -2.699 -17.270 1.214 1.00 13.04 C ATOM 0 H ALA A 649 -4.335 -16.697 3.052 1.00 72.24 H new ATOM 0 HA ALA A 649 -4.381 -16.574 0.113 1.00 74.44 H new ATOM 0 HB1 ALA A 649 -2.250 -17.755 0.347 1.00 13.04 H new ATOM 0 HB2 ALA A 649 -2.277 -16.272 1.331 1.00 13.04 H new ATOM 0 HB3 ALA A 649 -2.491 -17.859 2.107 1.00 13.04 H new ATOM 1705 N LYS A 650 -4.428 -19.206 -0.251 1.00 62.44 N ATOM 1706 CA LYS A 650 -4.961 -20.519 -0.575 1.00 40.32 C ATOM 1707 C LYS A 650 -3.885 -21.577 -0.326 1.00 62.31 C ATOM 1708 O LYS A 650 -4.198 -22.744 -0.094 1.00 55.12 O ATOM 1709 CB LYS A 650 -5.520 -20.533 -1.999 1.00 71.43 C ATOM 1710 CG LYS A 650 -6.456 -19.346 -2.233 1.00 41.33 C ATOM 1711 CD LYS A 650 -7.433 -19.634 -3.375 1.00 44.11 C ATOM 1712 CE LYS A 650 -8.229 -18.381 -3.745 1.00 10.13 C ATOM 1713 NZ LYS A 650 -9.207 -18.685 -4.814 1.00 3.35 N ATOM 0 H LYS A 650 -3.708 -18.869 -0.890 1.00 62.44 H new ATOM 0 HA LYS A 650 -5.802 -20.760 0.075 1.00 40.32 H new ATOM 0 HB2 LYS A 650 -4.699 -20.500 -2.716 1.00 71.43 H new ATOM 0 HB3 LYS A 650 -6.058 -21.465 -2.173 1.00 71.43 H new ATOM 0 HG2 LYS A 650 -7.011 -19.131 -1.320 1.00 41.33 H new ATOM 0 HG3 LYS A 650 -5.870 -18.457 -2.467 1.00 41.33 H new ATOM 0 HD2 LYS A 650 -6.884 -19.991 -4.246 1.00 44.11 H new ATOM 0 HD3 LYS A 650 -8.117 -20.430 -3.081 1.00 44.11 H new ATOM 0 HE2 LYS A 650 -8.749 -18.000 -2.866 1.00 10.13 H new ATOM 0 HE3 LYS A 650 -7.550 -17.596 -4.078 1.00 10.13 H new ATOM 0 HZ1 LYS A 650 -9.739 -17.824 -5.053 1.00 3.35 H new ATOM 0 HZ2 LYS A 650 -8.704 -19.027 -5.658 1.00 3.35 H new ATOM 0 HZ3 LYS A 650 -9.866 -19.418 -4.483 1.00 3.35 H new ATOM 1726 N LYS A 651 -2.638 -21.132 -0.382 1.00 71.44 N ATOM 1727 CA LYS A 651 -1.514 -22.027 -0.166 1.00 22.03 C ATOM 1728 C LYS A 651 -0.521 -21.368 0.794 1.00 32.34 C ATOM 1729 O LYS A 651 -0.535 -20.151 0.968 1.00 12.24 O ATOM 1730 CB LYS A 651 -0.894 -22.442 -1.502 1.00 11.03 C ATOM 1731 CG LYS A 651 -1.842 -23.350 -2.287 1.00 54.04 C ATOM 1732 CD LYS A 651 -2.737 -22.532 -3.220 1.00 53.24 C ATOM 1733 CE LYS A 651 -2.036 -22.260 -4.553 1.00 15.41 C ATOM 1734 NZ LYS A 651 -2.731 -21.182 -5.293 1.00 70.52 N ATOM 0 H LYS A 651 -2.382 -20.164 -0.574 1.00 71.44 H new ATOM 0 HA LYS A 651 -1.848 -22.952 0.304 1.00 22.03 H new ATOM 0 HB2 LYS A 651 -0.663 -21.555 -2.091 1.00 11.03 H new ATOM 0 HB3 LYS A 651 0.048 -22.960 -1.324 1.00 11.03 H new ATOM 0 HG2 LYS A 651 -1.265 -24.069 -2.869 1.00 54.04 H new ATOM 0 HG3 LYS A 651 -2.459 -23.923 -1.595 1.00 54.04 H new ATOM 0 HD2 LYS A 651 -3.669 -23.068 -3.398 1.00 53.24 H new ATOM 0 HD3 LYS A 651 -2.999 -21.587 -2.743 1.00 53.24 H new ATOM 0 HE2 LYS A 651 -0.999 -21.976 -4.374 1.00 15.41 H new ATOM 0 HE3 LYS A 651 -2.019 -23.169 -5.154 1.00 15.41 H new ATOM 0 HZ1 LYS A 651 -2.243 -21.010 -6.195 1.00 70.52 H new ATOM 0 HZ2 LYS A 651 -3.714 -21.467 -5.480 1.00 70.52 H new ATOM 0 HZ3 LYS A 651 -2.725 -20.311 -4.724 1.00 70.52 H new ATOM 1747 N TRP A 652 0.317 -22.202 1.393 1.00 73.34 N ATOM 1748 CA TRP A 652 1.314 -21.716 2.331 1.00 62.24 C ATOM 1749 C TRP A 652 2.423 -21.031 1.529 1.00 14.41 C ATOM 1750 O TRP A 652 3.334 -20.438 2.105 1.00 63.45 O ATOM 1751 CB TRP A 652 1.832 -22.851 3.217 1.00 12.52 C ATOM 1752 CG TRP A 652 0.748 -23.525 4.061 1.00 61.13 C ATOM 1753 CD1 TRP A 652 -0.169 -24.418 3.665 1.00 60.33 C ATOM 1754 CD2 TRP A 652 0.505 -23.323 5.469 1.00 75.12 C ATOM 1755 NE1 TRP A 652 -0.983 -24.805 4.710 1.00 23.21 N ATOM 1756 CE2 TRP A 652 -0.560 -24.118 5.842 1.00 21.01 C ATOM 1757 CE3 TRP A 652 1.162 -22.496 6.396 1.00 20.15 C ATOM 1758 CZ2 TRP A 652 -1.061 -24.164 7.148 1.00 32.14 C ATOM 1759 CZ3 TRP A 652 0.649 -22.554 7.698 1.00 51.42 C ATOM 1760 CH2 TRP A 652 -0.422 -23.348 8.090 1.00 61.44 C ATOM 0 H TRP A 652 0.326 -23.211 1.247 1.00 73.34 H new ATOM 0 HA TRP A 652 0.878 -20.988 3.015 1.00 62.24 H new ATOM 0 HB2 TRP A 652 2.307 -23.603 2.587 1.00 12.52 H new ATOM 0 HB3 TRP A 652 2.603 -22.458 3.880 1.00 12.52 H new ATOM 0 HD1 TRP A 652 -0.260 -24.789 2.655 1.00 60.33 H new ATOM 0 HE1 TRP A 652 -1.753 -25.472 4.661 1.00 23.21 H new ATOM 0 HE3 TRP A 652 1.996 -21.866 6.126 1.00 20.15 H new ATOM 0 HZ2 TRP A 652 -1.896 -24.795 7.415 1.00 32.14 H new ATOM 0 HZ3 TRP A 652 1.119 -21.938 8.450 1.00 51.42 H new ATOM 0 HH2 TRP A 652 -0.760 -23.336 9.116 1.00 61.44 H new ATOM 1771 N SER A 653 2.308 -21.134 0.213 1.00 13.32 N ATOM 1772 CA SER A 653 3.289 -20.531 -0.673 1.00 54.12 C ATOM 1773 C SER A 653 3.158 -19.007 -0.639 1.00 5.14 C ATOM 1774 O SER A 653 4.069 -18.293 -1.057 1.00 14.12 O ATOM 1775 CB SER A 653 3.126 -21.045 -2.105 1.00 65.10 C ATOM 1776 OG SER A 653 3.798 -20.216 -3.049 1.00 43.13 O ATOM 0 H SER A 653 1.551 -21.626 -0.261 1.00 13.32 H new ATOM 0 HA SER A 653 4.283 -20.812 -0.325 1.00 54.12 H new ATOM 0 HB2 SER A 653 3.516 -22.061 -2.172 1.00 65.10 H new ATOM 0 HB3 SER A 653 2.066 -21.093 -2.355 1.00 65.10 H new ATOM 0 HG SER A 653 3.672 -20.578 -3.951 1.00 43.13 H new ATOM 1782 N ARG A 654 2.019 -18.553 -0.136 1.00 65.52 N ATOM 1783 CA ARG A 654 1.758 -17.127 -0.042 1.00 24.25 C ATOM 1784 C ARG A 654 2.005 -16.636 1.386 1.00 32.14 C ATOM 1785 O ARG A 654 2.112 -15.434 1.623 1.00 1.13 O ATOM 1786 CB ARG A 654 0.318 -16.803 -0.444 1.00 22.14 C ATOM 1787 CG ARG A 654 -0.037 -17.454 -1.782 1.00 50.20 C ATOM 1788 CD ARG A 654 0.743 -16.809 -2.929 1.00 51.45 C ATOM 1789 NE ARG A 654 -0.137 -15.890 -3.686 1.00 71.20 N ATOM 1790 CZ ARG A 654 0.301 -15.024 -4.625 1.00 34.24 C ATOM 1791 NH1 ARG A 654 1.614 -14.951 -4.930 1.00 75.34 N ATOM 1792 NH2 ARG A 654 -0.574 -14.250 -5.239 1.00 13.22 N ATOM 0 H ARG A 654 1.267 -19.148 0.211 1.00 65.52 H new ATOM 0 HA ARG A 654 2.437 -16.619 -0.727 1.00 24.25 H new ATOM 0 HB2 ARG A 654 -0.367 -17.154 0.328 1.00 22.14 H new ATOM 0 HB3 ARG A 654 0.191 -15.723 -0.516 1.00 22.14 H new ATOM 0 HG2 ARG A 654 0.184 -18.521 -1.742 1.00 50.20 H new ATOM 0 HG3 ARG A 654 -1.107 -17.357 -1.965 1.00 50.20 H new ATOM 0 HD2 ARG A 654 1.600 -16.263 -2.535 1.00 51.45 H new ATOM 0 HD3 ARG A 654 1.134 -17.580 -3.593 1.00 51.45 H new ATOM 0 HE ARG A 654 -1.137 -15.912 -3.486 1.00 71.20 H new ATOM 0 HH11 ARG A 654 2.283 -15.553 -4.450 1.00 75.34 H new ATOM 0 HH12 ARG A 654 1.937 -14.294 -5.641 1.00 75.34 H new ATOM 0 HH21 ARG A 654 -1.564 -14.312 -5.002 1.00 13.22 H new ATOM 0 HH22 ARG A 654 -0.260 -13.590 -5.951 1.00 13.22 H new ATOM 1805 N VAL A 655 2.087 -17.591 2.301 1.00 63.43 N ATOM 1806 CA VAL A 655 2.319 -17.271 3.699 1.00 60.10 C ATOM 1807 C VAL A 655 3.342 -16.137 3.795 1.00 34.12 C ATOM 1808 O VAL A 655 4.492 -16.298 3.392 1.00 24.20 O ATOM 1809 CB VAL A 655 2.747 -18.528 4.460 1.00 54.22 C ATOM 1810 CG1 VAL A 655 3.492 -18.163 5.745 1.00 22.51 C ATOM 1811 CG2 VAL A 655 1.543 -19.424 4.759 1.00 11.42 C ATOM 0 H VAL A 655 1.997 -18.587 2.101 1.00 63.43 H new ATOM 0 HA VAL A 655 1.400 -16.921 4.168 1.00 60.10 H new ATOM 0 HB VAL A 655 3.432 -19.089 3.824 1.00 54.22 H new ATOM 0 HG11 VAL A 655 3.785 -19.074 6.267 1.00 22.51 H new ATOM 0 HG12 VAL A 655 4.382 -17.584 5.498 1.00 22.51 H new ATOM 0 HG13 VAL A 655 2.841 -17.570 6.387 1.00 22.51 H new ATOM 0 HG21 VAL A 655 1.874 -20.310 5.300 1.00 11.42 H new ATOM 0 HG22 VAL A 655 0.823 -18.876 5.367 1.00 11.42 H new ATOM 0 HG23 VAL A 655 1.072 -19.725 3.823 1.00 11.42 H new ATOM 1821 N PRO A 656 2.873 -14.985 4.346 1.00 34.50 N ATOM 1822 CA PRO A 656 3.733 -13.825 4.500 1.00 22.04 C ATOM 1823 C PRO A 656 4.714 -14.020 5.658 1.00 2.02 C ATOM 1824 O PRO A 656 5.884 -13.653 5.554 1.00 73.40 O ATOM 1825 CB PRO A 656 2.784 -12.657 4.716 1.00 22.41 C ATOM 1826 CG PRO A 656 1.459 -13.270 5.138 1.00 75.14 C ATOM 1827 CD PRO A 656 1.516 -14.758 4.835 1.00 73.54 C ATOM 0 HA PRO A 656 4.365 -13.651 3.629 1.00 22.04 H new ATOM 0 HB2 PRO A 656 3.164 -11.982 5.483 1.00 22.41 H new ATOM 0 HB3 PRO A 656 2.671 -12.072 3.803 1.00 22.41 H new ATOM 0 HG2 PRO A 656 1.283 -13.103 6.201 1.00 75.14 H new ATOM 0 HG3 PRO A 656 0.634 -12.802 4.601 1.00 75.14 H new ATOM 0 HD2 PRO A 656 1.312 -15.352 5.726 1.00 73.54 H new ATOM 0 HD3 PRO A 656 0.774 -15.039 4.088 1.00 73.54 H new ATOM 1835 N PHE A 657 4.202 -14.597 6.735 1.00 12.12 N ATOM 1836 CA PHE A 657 5.018 -14.845 7.911 1.00 22.23 C ATOM 1837 C PHE A 657 5.961 -16.029 7.685 1.00 50.35 C ATOM 1838 O PHE A 657 5.691 -16.891 6.850 1.00 33.23 O ATOM 1839 CB PHE A 657 4.062 -15.183 9.057 1.00 55.34 C ATOM 1840 CG PHE A 657 3.403 -16.558 8.933 1.00 62.35 C ATOM 1841 CD1 PHE A 657 2.239 -16.695 8.243 1.00 33.12 C ATOM 1842 CD2 PHE A 657 3.982 -17.644 9.512 1.00 63.04 C ATOM 1843 CE1 PHE A 657 1.628 -17.972 8.128 1.00 13.32 C ATOM 1844 CE2 PHE A 657 3.371 -18.921 9.397 1.00 42.45 C ATOM 1845 CZ PHE A 657 2.207 -19.058 8.707 1.00 12.52 C ATOM 0 H PHE A 657 3.232 -14.900 6.818 1.00 12.12 H new ATOM 0 HA PHE A 657 5.625 -13.968 8.133 1.00 22.23 H new ATOM 0 HB2 PHE A 657 4.609 -15.138 9.998 1.00 55.34 H new ATOM 0 HB3 PHE A 657 3.284 -14.421 9.104 1.00 55.34 H new ATOM 0 HD1 PHE A 657 1.779 -15.833 7.783 1.00 33.12 H new ATOM 0 HD2 PHE A 657 4.907 -17.535 10.059 1.00 63.04 H new ATOM 0 HE1 PHE A 657 0.703 -18.081 7.581 1.00 13.32 H new ATOM 0 HE2 PHE A 657 3.831 -19.783 9.857 1.00 42.45 H new ATOM 0 HZ PHE A 657 1.743 -20.029 8.619 1.00 12.52 H new ATOM 1855 N SER A 658 7.048 -16.032 8.442 1.00 40.31 N ATOM 1856 CA SER A 658 8.032 -17.095 8.334 1.00 64.10 C ATOM 1857 C SER A 658 7.576 -18.314 9.138 1.00 73.44 C ATOM 1858 O SER A 658 7.011 -18.172 10.221 1.00 74.32 O ATOM 1859 CB SER A 658 9.406 -16.625 8.817 1.00 31.20 C ATOM 1860 OG SER A 658 9.661 -15.268 8.464 1.00 73.44 O ATOM 0 H SER A 658 7.269 -15.315 9.133 1.00 40.31 H new ATOM 0 HA SER A 658 8.121 -17.373 7.284 1.00 64.10 H new ATOM 0 HB2 SER A 658 9.467 -16.735 9.900 1.00 31.20 H new ATOM 0 HB3 SER A 658 10.179 -17.263 8.388 1.00 31.20 H new ATOM 0 HG SER A 658 10.547 -15.006 8.792 1.00 73.44 H new ATOM 1866 N VAL A 659 7.838 -19.485 8.576 1.00 73.33 N ATOM 1867 CA VAL A 659 7.461 -20.729 9.226 1.00 13.43 C ATOM 1868 C VAL A 659 8.670 -21.666 9.266 1.00 54.51 C ATOM 1869 O VAL A 659 8.935 -22.383 8.303 1.00 62.12 O ATOM 1870 CB VAL A 659 6.251 -21.343 8.519 1.00 31.35 C ATOM 1871 CG1 VAL A 659 5.466 -22.252 9.467 1.00 73.40 C ATOM 1872 CG2 VAL A 659 5.350 -20.256 7.930 1.00 33.30 C ATOM 0 H VAL A 659 8.307 -19.599 7.677 1.00 73.33 H new ATOM 0 HA VAL A 659 7.159 -20.545 10.257 1.00 13.43 H new ATOM 0 HB VAL A 659 6.619 -21.955 7.695 1.00 31.35 H new ATOM 0 HG11 VAL A 659 4.611 -22.676 8.940 1.00 73.40 H new ATOM 0 HG12 VAL A 659 6.112 -23.057 9.817 1.00 73.40 H new ATOM 0 HG13 VAL A 659 5.115 -21.672 10.320 1.00 73.40 H new ATOM 0 HG21 VAL A 659 4.498 -20.720 7.433 1.00 33.30 H new ATOM 0 HG22 VAL A 659 4.995 -19.606 8.729 1.00 33.30 H new ATOM 0 HG23 VAL A 659 5.915 -19.667 7.207 1.00 33.30 H new ATOM 1882 N PRO A 660 9.389 -21.628 10.420 1.00 53.44 N ATOM 1883 CA PRO A 660 10.563 -22.464 10.597 1.00 21.33 C ATOM 1884 C PRO A 660 10.166 -23.920 10.852 1.00 0.21 C ATOM 1885 O PRO A 660 9.126 -24.187 11.451 1.00 34.42 O ATOM 1886 CB PRO A 660 11.317 -21.842 11.761 1.00 2.11 C ATOM 1887 CG PRO A 660 10.311 -20.964 12.488 1.00 63.13 C ATOM 1888 CD PRO A 660 9.104 -20.790 11.581 1.00 32.21 C ATOM 0 HA PRO A 660 11.191 -22.501 9.707 1.00 21.33 H new ATOM 0 HB2 PRO A 660 11.715 -22.610 12.424 1.00 2.11 H new ATOM 0 HB3 PRO A 660 12.165 -21.255 11.408 1.00 2.11 H new ATOM 0 HG2 PRO A 660 10.016 -21.422 13.432 1.00 63.13 H new ATOM 0 HG3 PRO A 660 10.752 -19.996 12.727 1.00 63.13 H new ATOM 0 HD2 PRO A 660 8.186 -21.102 12.079 1.00 32.21 H new ATOM 0 HD3 PRO A 660 8.972 -19.747 11.294 1.00 32.21 H new ATOM 1896 N ASP A 661 11.016 -24.822 10.384 1.00 31.13 N ATOM 1897 CA ASP A 661 10.767 -26.244 10.554 1.00 11.41 C ATOM 1898 C ASP A 661 11.007 -26.628 12.015 1.00 25.23 C ATOM 1899 O ASP A 661 11.705 -25.921 12.740 1.00 2.33 O ATOM 1900 CB ASP A 661 11.711 -27.076 9.685 1.00 43.14 C ATOM 1901 CG ASP A 661 11.813 -26.625 8.226 1.00 21.20 C ATOM 1902 OD1 ASP A 661 12.341 -27.350 7.369 1.00 13.30 O ATOM 1903 OD2 ASP A 661 11.316 -25.461 7.979 1.00 10.33 O ATOM 0 H ASP A 661 11.878 -24.596 9.887 1.00 31.13 H new ATOM 0 HA ASP A 661 9.737 -26.444 10.260 1.00 11.41 H new ATOM 0 HB2 ASP A 661 12.706 -27.050 10.128 1.00 43.14 H new ATOM 0 HB3 ASP A 661 11.380 -28.114 9.706 1.00 43.14 H new ATOM 1909 N PHE A 662 10.416 -27.748 12.404 1.00 22.31 N ATOM 1910 CA PHE A 662 10.558 -28.235 13.766 1.00 75.42 C ATOM 1911 C PHE A 662 11.958 -28.804 14.002 1.00 21.31 C ATOM 1912 O PHE A 662 12.384 -29.725 13.306 1.00 15.11 O ATOM 1913 CB PHE A 662 9.528 -29.352 13.950 1.00 24.42 C ATOM 1914 CG PHE A 662 9.248 -29.705 15.412 1.00 24.34 C ATOM 1915 CD1 PHE A 662 10.223 -30.270 16.174 1.00 21.23 C ATOM 1916 CD2 PHE A 662 8.025 -29.454 15.950 1.00 32.03 C ATOM 1917 CE1 PHE A 662 9.963 -30.598 17.531 1.00 3.44 C ATOM 1918 CE2 PHE A 662 7.765 -29.781 17.307 1.00 30.53 C ATOM 1919 CZ PHE A 662 8.740 -30.346 18.069 1.00 33.33 C ATOM 0 H PHE A 662 9.838 -28.332 11.800 1.00 22.31 H new ATOM 0 HA PHE A 662 10.404 -27.419 14.472 1.00 75.42 H new ATOM 0 HB2 PHE A 662 8.594 -29.053 13.474 1.00 24.42 H new ATOM 0 HB3 PHE A 662 9.879 -30.245 13.432 1.00 24.42 H new ATOM 0 HD1 PHE A 662 11.195 -30.469 15.747 1.00 21.23 H new ATOM 0 HD2 PHE A 662 7.251 -29.006 15.345 1.00 32.03 H new ATOM 0 HE1 PHE A 662 10.737 -31.048 18.136 1.00 3.44 H new ATOM 0 HE2 PHE A 662 6.793 -29.581 17.734 1.00 30.53 H new ATOM 0 HZ PHE A 662 8.543 -30.594 19.101 1.00 33.33 H new ATOM 1929 N ASP A 663 12.636 -28.232 14.986 1.00 20.43 N ATOM 1930 CA ASP A 663 13.980 -28.671 15.323 1.00 33.11 C ATOM 1931 C ASP A 663 14.008 -29.144 16.778 1.00 54.30 C ATOM 1932 O ASP A 663 14.103 -28.331 17.697 1.00 71.34 O ATOM 1933 CB ASP A 663 14.985 -27.527 15.178 1.00 0.03 C ATOM 1934 CG ASP A 663 15.467 -27.267 13.750 1.00 43.22 C ATOM 1935 OD1 ASP A 663 15.081 -26.273 13.117 1.00 63.05 O ATOM 1936 OD2 ASP A 663 16.285 -28.148 13.282 1.00 40.35 O ATOM 0 H ASP A 663 12.280 -27.468 15.561 1.00 20.43 H new ATOM 0 HA ASP A 663 14.252 -29.478 14.643 1.00 33.11 H new ATOM 0 HB2 ASP A 663 14.532 -26.614 15.564 1.00 0.03 H new ATOM 0 HB3 ASP A 663 15.851 -27.743 15.804 1.00 0.03 H new ATOM 1942 N PHE A 664 13.923 -30.456 16.942 1.00 12.43 N ATOM 1943 CA PHE A 664 13.937 -31.046 18.270 1.00 62.12 C ATOM 1944 C PHE A 664 14.902 -30.298 19.192 1.00 13.03 C ATOM 1945 O PHE A 664 14.619 -30.116 20.376 1.00 41.04 O ATOM 1946 CB PHE A 664 14.418 -32.490 18.112 1.00 51.01 C ATOM 1947 CG PHE A 664 14.022 -33.408 19.270 1.00 3.25 C ATOM 1948 CD1 PHE A 664 12.712 -33.559 19.601 1.00 72.41 C ATOM 1949 CD2 PHE A 664 14.981 -34.072 19.970 1.00 62.03 C ATOM 1950 CE1 PHE A 664 12.345 -34.411 20.676 1.00 34.21 C ATOM 1951 CE2 PHE A 664 14.614 -34.924 21.045 1.00 40.21 C ATOM 1952 CZ PHE A 664 13.304 -35.075 21.375 1.00 34.54 C ATOM 0 H PHE A 664 13.844 -31.127 16.178 1.00 12.43 H new ATOM 0 HA PHE A 664 12.942 -30.994 18.711 1.00 62.12 H new ATOM 0 HB2 PHE A 664 14.015 -32.897 17.185 1.00 51.01 H new ATOM 0 HB3 PHE A 664 15.504 -32.492 18.015 1.00 51.01 H new ATOM 0 HD1 PHE A 664 11.951 -33.031 19.046 1.00 72.41 H new ATOM 0 HD2 PHE A 664 16.022 -33.951 19.708 1.00 62.03 H new ATOM 0 HE1 PHE A 664 11.304 -34.532 20.938 1.00 34.21 H new ATOM 0 HE2 PHE A 664 15.375 -35.452 21.600 1.00 40.21 H new ATOM 0 HZ PHE A 664 13.025 -35.723 22.193 1.00 34.54 H new ATOM 1962 N LEU A 665 16.021 -29.885 18.616 1.00 54.42 N ATOM 1963 CA LEU A 665 17.028 -29.160 19.371 1.00 25.35 C ATOM 1964 C LEU A 665 16.419 -27.867 19.917 1.00 22.21 C ATOM 1965 O LEU A 665 16.487 -27.602 21.116 1.00 24.54 O ATOM 1966 CB LEU A 665 18.280 -28.939 18.520 1.00 42.11 C ATOM 1967 CG LEU A 665 18.994 -30.203 18.035 1.00 55.53 C ATOM 1968 CD1 LEU A 665 20.423 -29.888 17.590 1.00 62.51 C ATOM 1969 CD2 LEU A 665 18.953 -31.299 19.101 1.00 12.22 C ATOM 0 H LEU A 665 16.253 -30.039 17.635 1.00 54.42 H new ATOM 0 HA LEU A 665 17.354 -29.746 20.230 1.00 25.35 H new ATOM 0 HB2 LEU A 665 18.003 -28.345 17.649 1.00 42.11 H new ATOM 0 HB3 LEU A 665 18.988 -28.345 19.098 1.00 42.11 H new ATOM 0 HG LEU A 665 18.462 -30.583 17.163 1.00 55.53 H new ATOM 0 HD11 LEU A 665 20.908 -30.803 17.250 1.00 62.51 H new ATOM 0 HD12 LEU A 665 20.399 -29.165 16.774 1.00 62.51 H new ATOM 0 HD13 LEU A 665 20.981 -29.471 18.428 1.00 62.51 H new ATOM 0 HD21 LEU A 665 19.467 -32.186 18.731 1.00 12.22 H new ATOM 0 HD22 LEU A 665 19.446 -30.945 20.006 1.00 12.22 H new ATOM 0 HD23 LEU A 665 17.916 -31.548 19.327 1.00 12.22 H new ATOM 1981 N GLN A 666 15.837 -27.096 19.010 1.00 23.23 N ATOM 1982 CA GLN A 666 15.216 -25.837 19.386 1.00 65.34 C ATOM 1983 C GLN A 666 13.967 -26.093 20.231 1.00 2.21 C ATOM 1984 O GLN A 666 13.893 -25.663 21.381 1.00 0.12 O ATOM 1985 CB GLN A 666 14.880 -25.002 18.149 1.00 1.30 C ATOM 1986 CG GLN A 666 14.546 -23.560 18.536 1.00 55.30 C ATOM 1987 CD GLN A 666 15.802 -22.686 18.534 1.00 34.02 C ATOM 1988 OE1 GLN A 666 16.758 -22.930 17.817 1.00 21.43 O ATOM 1989 NE2 GLN A 666 15.746 -21.657 19.374 1.00 13.45 N ATOM 0 H GLN A 666 15.782 -27.319 18.016 1.00 23.23 H new ATOM 0 HA GLN A 666 15.926 -25.268 19.986 1.00 65.34 H new ATOM 0 HB2 GLN A 666 15.724 -25.011 17.459 1.00 1.30 H new ATOM 0 HB3 GLN A 666 14.035 -25.447 17.624 1.00 1.30 H new ATOM 0 HG2 GLN A 666 13.814 -23.153 17.838 1.00 55.30 H new ATOM 0 HG3 GLN A 666 14.088 -23.542 19.525 1.00 55.30 H new ATOM 0 HE21 GLN A 666 14.914 -21.510 19.946 1.00 13.45 H new ATOM 0 HE22 GLN A 666 16.535 -21.014 19.446 1.00 13.45 H new ATOM 1998 N HIS A 667 13.016 -26.792 19.628 1.00 4.44 N ATOM 1999 CA HIS A 667 11.774 -27.109 20.312 1.00 60.54 C ATOM 2000 C HIS A 667 12.080 -27.628 21.718 1.00 30.21 C ATOM 2001 O HIS A 667 11.251 -27.514 22.620 1.00 61.23 O ATOM 2002 CB HIS A 667 10.936 -28.089 19.488 1.00 62.15 C ATOM 2003 CG HIS A 667 9.447 -27.956 19.703 1.00 44.14 C ATOM 2004 ND1 HIS A 667 8.639 -27.180 18.891 1.00 42.55 N ATOM 2005 CD2 HIS A 667 8.630 -28.508 20.644 1.00 20.53 C ATOM 2006 CE1 HIS A 667 7.394 -27.267 19.333 1.00 33.45 C ATOM 2007 NE2 HIS A 667 7.390 -28.091 20.421 1.00 61.03 N ATOM 0 H HIS A 667 13.081 -27.147 18.674 1.00 4.44 H new ATOM 0 HA HIS A 667 11.173 -26.206 20.419 1.00 60.54 H new ATOM 0 HB2 HIS A 667 11.155 -27.939 18.431 1.00 62.15 H new ATOM 0 HB3 HIS A 667 11.239 -29.107 19.735 1.00 62.15 H new ATOM 0 HD2 HIS A 667 8.939 -29.173 21.437 1.00 20.53 H new ATOM 0 HE1 HIS A 667 6.533 -26.773 18.907 1.00 33.45 H new ATOM 0 HE2 HIS A 667 6.570 -28.344 20.972 1.00 61.03 H new ATOM 2015 N CYS A 668 13.273 -28.187 21.861 1.00 33.04 N ATOM 2016 CA CYS A 668 13.699 -28.724 23.143 1.00 54.32 C ATOM 2017 C CYS A 668 14.240 -27.571 23.990 1.00 2.13 C ATOM 2018 O CYS A 668 13.945 -27.479 25.181 1.00 41.01 O ATOM 2019 CB CYS A 668 14.730 -29.841 22.973 1.00 32.24 C ATOM 2020 SG CYS A 668 15.436 -30.293 24.600 1.00 33.21 S ATOM 0 H CYS A 668 13.958 -28.280 21.111 1.00 33.04 H new ATOM 0 HA CYS A 668 12.849 -29.179 23.651 1.00 54.32 H new ATOM 0 HB2 CYS A 668 14.262 -30.713 22.515 1.00 32.24 H new ATOM 0 HB3 CYS A 668 15.524 -29.515 22.301 1.00 32.24 H new ATOM 0 HG CYS A 668 16.309 -31.244 24.445 1.00 33.21 H new ATOM 2026 N ALA A 669 15.023 -26.720 23.343 1.00 24.25 N ATOM 2027 CA ALA A 669 15.609 -25.577 24.023 1.00 70.10 C ATOM 2028 C ALA A 669 14.510 -24.561 24.342 1.00 23.21 C ATOM 2029 O ALA A 669 14.734 -23.617 25.098 1.00 53.21 O ATOM 2030 CB ALA A 669 16.720 -24.981 23.156 1.00 72.54 C ATOM 0 H ALA A 669 15.265 -26.799 22.355 1.00 24.25 H new ATOM 0 HA ALA A 669 16.061 -25.882 24.967 1.00 70.10 H new ATOM 0 HB1 ALA A 669 17.159 -24.124 23.666 1.00 72.54 H new ATOM 0 HB2 ALA A 669 17.489 -25.733 22.982 1.00 72.54 H new ATOM 0 HB3 ALA A 669 16.304 -24.661 22.201 1.00 72.54 H new ATOM 2036 N GLU A 670 13.347 -24.790 23.750 1.00 3.31 N ATOM 2037 CA GLU A 670 12.213 -23.906 23.962 1.00 64.12 C ATOM 2038 C GLU A 670 11.458 -24.306 25.231 1.00 64.21 C ATOM 2039 O GLU A 670 10.763 -23.486 25.828 1.00 33.32 O ATOM 2040 CB GLU A 670 11.283 -23.907 22.747 1.00 21.21 C ATOM 2041 CG GLU A 670 11.686 -22.822 21.747 1.00 63.13 C ATOM 2042 CD GLU A 670 10.494 -22.400 20.885 1.00 22.33 C ATOM 2043 OE1 GLU A 670 9.441 -23.053 20.923 1.00 54.13 O ATOM 2044 OE2 GLU A 670 10.690 -21.353 20.159 1.00 43.45 O ATOM 0 H GLU A 670 13.165 -25.574 23.124 1.00 3.31 H new ATOM 0 HA GLU A 670 12.588 -22.891 24.091 1.00 64.12 H new ATOM 0 HB2 GLU A 670 11.313 -24.883 22.262 1.00 21.21 H new ATOM 0 HB3 GLU A 670 10.255 -23.744 23.071 1.00 21.21 H new ATOM 0 HG2 GLU A 670 12.077 -21.956 22.282 1.00 63.13 H new ATOM 0 HG3 GLU A 670 12.489 -23.191 21.108 1.00 63.13 H new ATOM 2052 N ASN A 671 11.621 -25.567 25.606 1.00 42.45 N ATOM 2053 CA ASN A 671 10.964 -26.085 26.793 1.00 74.41 C ATOM 2054 C ASN A 671 11.972 -26.152 27.941 1.00 3.44 C ATOM 2055 O ASN A 671 11.604 -26.003 29.105 1.00 13.24 O ATOM 2056 CB ASN A 671 10.427 -27.498 26.553 1.00 44.03 C ATOM 2057 CG ASN A 671 9.117 -27.460 25.764 1.00 31.20 C ATOM 2058 OD1 ASN A 671 8.047 -27.748 26.274 1.00 33.12 O ATOM 2059 ND2 ASN A 671 9.260 -27.090 24.495 1.00 71.14 N ATOM 0 H ASN A 671 12.199 -26.244 25.108 1.00 42.45 H new ATOM 0 HA ASN A 671 10.135 -25.420 27.036 1.00 74.41 H new ATOM 0 HB2 ASN A 671 11.167 -28.084 26.008 1.00 44.03 H new ATOM 0 HB3 ASN A 671 10.266 -27.997 27.509 1.00 44.03 H new ATOM 0 HD21 ASN A 671 8.444 -27.034 23.885 1.00 71.14 H new ATOM 0 HD22 ASN A 671 10.185 -26.862 24.131 1.00 71.14 H new ATOM 2066 N LEU A 672 13.225 -26.375 27.574 1.00 64.12 N ATOM 2067 CA LEU A 672 14.290 -26.463 28.559 1.00 50.21 C ATOM 2068 C LEU A 672 15.001 -25.111 28.657 1.00 34.43 C ATOM 2069 O LEU A 672 15.059 -24.513 29.731 1.00 61.44 O ATOM 2070 CB LEU A 672 15.227 -27.628 28.233 1.00 13.12 C ATOM 2071 CG LEU A 672 14.583 -29.015 28.193 1.00 74.15 C ATOM 2072 CD1 LEU A 672 15.566 -30.090 28.659 1.00 62.23 C ATOM 2073 CD2 LEU A 672 13.282 -29.040 28.998 1.00 2.24 C ATOM 0 H LEU A 672 13.527 -26.498 26.608 1.00 64.12 H new ATOM 0 HA LEU A 672 13.880 -26.681 29.545 1.00 50.21 H new ATOM 0 HB2 LEU A 672 15.690 -27.436 27.265 1.00 13.12 H new ATOM 0 HB3 LEU A 672 16.028 -27.642 28.972 1.00 13.12 H new ATOM 0 HG LEU A 672 14.325 -29.241 27.158 1.00 74.15 H new ATOM 0 HD11 LEU A 672 15.083 -31.066 28.621 1.00 62.23 H new ATOM 0 HD12 LEU A 672 16.439 -30.092 28.007 1.00 62.23 H new ATOM 0 HD13 LEU A 672 15.878 -29.879 29.682 1.00 62.23 H new ATOM 0 HD21 LEU A 672 12.845 -30.038 28.953 1.00 2.24 H new ATOM 0 HD22 LEU A 672 13.492 -28.782 30.036 1.00 2.24 H new ATOM 0 HD23 LEU A 672 12.581 -28.318 28.579 1.00 2.24 H new ATOM 2085 N SER A 673 15.523 -24.670 27.523 1.00 51.43 N ATOM 2086 CA SER A 673 16.227 -23.400 27.467 1.00 2.24 C ATOM 2087 C SER A 673 17.503 -23.472 28.310 1.00 55.23 C ATOM 2088 O SER A 673 18.042 -22.443 28.715 1.00 70.40 O ATOM 2089 CB SER A 673 15.336 -22.254 27.951 1.00 71.12 C ATOM 2090 OG SER A 673 14.632 -21.636 26.877 1.00 34.20 O ATOM 0 H SER A 673 15.473 -25.169 26.635 1.00 51.43 H new ATOM 0 HA SER A 673 16.494 -23.203 26.429 1.00 2.24 H new ATOM 0 HB2 SER A 673 14.622 -22.634 28.682 1.00 71.12 H new ATOM 0 HB3 SER A 673 15.948 -21.509 28.460 1.00 71.12 H new ATOM 0 HG SER A 673 14.569 -22.261 26.125 1.00 34.20 H new ATOM 2096 N ASP A 674 17.948 -24.697 28.548 1.00 13.30 N ATOM 2097 CA ASP A 674 19.149 -24.916 29.335 1.00 64.44 C ATOM 2098 C ASP A 674 20.373 -24.498 28.516 1.00 32.54 C ATOM 2099 O ASP A 674 21.463 -24.334 29.063 1.00 54.24 O ATOM 2100 CB ASP A 674 19.307 -26.394 29.699 1.00 13.00 C ATOM 2101 CG ASP A 674 20.298 -26.679 30.829 1.00 61.41 C ATOM 2102 OD1 ASP A 674 21.513 -26.484 30.677 1.00 42.01 O ATOM 2103 OD2 ASP A 674 19.770 -27.127 31.917 1.00 21.23 O ATOM 0 H ASP A 674 17.498 -25.548 28.210 1.00 13.30 H new ATOM 0 HA ASP A 674 19.066 -24.326 30.248 1.00 64.44 H new ATOM 0 HB2 ASP A 674 18.332 -26.789 29.983 1.00 13.00 H new ATOM 0 HB3 ASP A 674 19.625 -26.939 28.811 1.00 13.00 H new ATOM 2109 N LEU A 675 20.151 -24.339 27.220 1.00 44.11 N ATOM 2110 CA LEU A 675 21.222 -23.943 26.321 1.00 63.31 C ATOM 2111 C LEU A 675 21.365 -22.420 26.344 1.00 60.21 C ATOM 2112 O LEU A 675 22.371 -21.894 26.819 1.00 73.55 O ATOM 2113 CB LEU A 675 20.988 -24.518 24.923 1.00 74.05 C ATOM 2114 CG LEU A 675 20.520 -25.974 24.865 1.00 14.44 C ATOM 2115 CD1 LEU A 675 21.297 -26.839 25.859 1.00 11.23 C ATOM 2116 CD2 LEU A 675 19.008 -26.072 25.080 1.00 71.35 C ATOM 0 H LEU A 675 19.246 -24.477 26.771 1.00 44.11 H new ATOM 0 HA LEU A 675 22.173 -24.357 26.656 1.00 63.31 H new ATOM 0 HB2 LEU A 675 20.247 -23.899 24.417 1.00 74.05 H new ATOM 0 HB3 LEU A 675 21.916 -24.433 24.357 1.00 74.05 H new ATOM 0 HG LEU A 675 20.730 -26.361 23.868 1.00 14.44 H new ATOM 0 HD11 LEU A 675 20.945 -27.869 25.798 1.00 11.23 H new ATOM 0 HD12 LEU A 675 22.360 -26.804 25.619 1.00 11.23 H new ATOM 0 HD13 LEU A 675 21.141 -26.462 26.870 1.00 11.23 H new ATOM 0 HD21 LEU A 675 18.701 -27.117 25.034 1.00 71.35 H new ATOM 0 HD22 LEU A 675 18.752 -25.661 26.057 1.00 71.35 H new ATOM 0 HD23 LEU A 675 18.493 -25.508 24.303 1.00 71.35 H new ATOM 2128 N SER A 676 20.344 -21.754 25.825 1.00 31.31 N ATOM 2129 CA SER A 676 20.343 -20.302 25.780 1.00 11.11 C ATOM 2130 C SER A 676 18.944 -19.790 25.428 1.00 25.33 C ATOM 2131 O SER A 676 18.178 -20.479 24.757 1.00 30.52 O ATOM 2132 CB SER A 676 21.368 -19.782 24.771 1.00 51.55 C ATOM 2133 OG SER A 676 22.705 -19.945 25.235 1.00 2.42 O ATOM 0 H SER A 676 19.512 -22.193 25.432 1.00 31.31 H new ATOM 0 HA SER A 676 20.622 -19.929 26.765 1.00 11.11 H new ATOM 0 HB2 SER A 676 21.246 -20.310 23.825 1.00 51.55 H new ATOM 0 HB3 SER A 676 21.179 -18.727 24.574 1.00 51.55 H new ATOM 0 HG SER A 676 22.696 -20.383 26.112 1.00 2.42 H new ATOM 2139 N LEU A 677 18.655 -18.586 25.897 1.00 13.55 N ATOM 2140 CA LEU A 677 17.362 -17.973 25.641 1.00 61.50 C ATOM 2141 C LEU A 677 17.417 -17.214 24.314 1.00 74.12 C ATOM 2142 O LEU A 677 16.610 -17.462 23.419 1.00 60.31 O ATOM 2143 CB LEU A 677 16.934 -17.108 26.828 1.00 42.23 C ATOM 2144 CG LEU A 677 16.708 -17.846 28.149 1.00 54.41 C ATOM 2145 CD1 LEU A 677 17.897 -18.747 28.484 1.00 22.14 C ATOM 2146 CD2 LEU A 677 16.397 -16.863 29.279 1.00 15.34 C ATOM 0 H LEU A 677 19.294 -18.018 26.453 1.00 13.55 H new ATOM 0 HA LEU A 677 16.591 -18.737 25.540 1.00 61.50 H new ATOM 0 HB2 LEU A 677 17.694 -16.343 26.987 1.00 42.23 H new ATOM 0 HB3 LEU A 677 16.012 -16.591 26.561 1.00 42.23 H new ATOM 0 HG LEU A 677 15.837 -18.492 28.035 1.00 54.41 H new ATOM 0 HD11 LEU A 677 17.710 -19.260 29.428 1.00 22.14 H new ATOM 0 HD12 LEU A 677 18.030 -19.483 27.691 1.00 22.14 H new ATOM 0 HD13 LEU A 677 18.799 -18.141 28.572 1.00 22.14 H new ATOM 0 HD21 LEU A 677 16.241 -17.413 30.207 1.00 15.34 H new ATOM 0 HD22 LEU A 677 17.233 -16.174 29.402 1.00 15.34 H new ATOM 0 HD23 LEU A 677 15.496 -16.301 29.034 1.00 15.34 H new ATOM 2158 N ASP A 678 18.376 -16.304 24.229 1.00 55.15 N ATOM 2159 CA ASP A 678 18.546 -15.507 23.026 1.00 52.33 C ATOM 2160 C ASP A 678 18.535 -16.427 21.803 1.00 5.14 C ATOM 2161 O ASP A 678 19.569 -16.634 21.169 1.00 12.20 O ATOM 2162 CB ASP A 678 19.881 -14.760 23.044 1.00 21.22 C ATOM 2163 CG ASP A 678 19.922 -13.486 22.198 1.00 74.22 C ATOM 2164 OD1 ASP A 678 20.867 -13.261 21.428 1.00 51.14 O ATOM 2165 OD2 ASP A 678 18.915 -12.695 22.355 1.00 73.21 O ATOM 0 H ASP A 678 19.043 -16.101 24.973 1.00 55.15 H new ATOM 0 HA ASP A 678 17.730 -14.786 22.982 1.00 52.33 H new ATOM 0 HB2 ASP A 678 20.121 -14.501 24.075 1.00 21.22 H new ATOM 0 HB3 ASP A 678 20.662 -15.435 22.695 1.00 21.22 H new TER 2171 ASP A 678 HETATM 2172 ZN ZN A 679 -13.701 -22.225 13.076 1.00 63.35 ZN