USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 866 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 63 SER OG : rot -109:sc= 0.99 USER MOD Set 1.2: A 667 LYS NZ :NH3+ 154:sc= 1.19 (180deg=0) USER MOD Set 2.1: A 67 LYS NZ :NH3+ -179:sc= 2.44 (180deg=1.21) USER MOD Set 2.2: A 77 TYR OH : rot 135:sc= -1.27! USER MOD Set 2.3: A 666 TYR OH : rot 180:sc= 1.01 USER MOD Set 3.1: A 49 LYS NZ :NH3+ -108:sc= 1.93 (180deg=-0.0295) USER MOD Set 3.2: A 51 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 39 MET CE :methyl -148:sc= -1.42 (180deg=-1.52) USER MOD Set 4.2: A 66 THR OG1 : rot 50:sc= 1.25 USER MOD Set 5.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0813 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -108:sc= 1.22 (180deg=-1.25) USER MOD Single : A 41 SER OG : rot 119:sc= 0.349! USER MOD Single : A 45 SER OG : rot 90:sc= 1.39 USER MOD Single : A 52 SER OG : rot 82:sc= 1.43 USER MOD Single : A 54 GLN : amide:sc= -0.3 K(o=-0.3,f=-1.2) USER MOD Single : A 56 GLN : amide:sc= 0.575 K(o=0.58,f=-0.75) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 64 SER OG : rot 83:sc= 0.12 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 142:sc= 1.05 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 641 SER OG : rot -18:sc= 0.763 USER MOD Single : A 643 GLN : amide:sc= -0.0461 K(o=-0.046,f=-0.64) USER MOD Single : A 644 ASN : amide:sc= -1.17 K(o=-1.2,f=-1.7!) USER MOD Single : A 645 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 646 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 652 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 654 GLN :FLIP amide:sc= -0.127 F(o=-0.78,f=-0.13) USER MOD Single : A 656 SER OG : rot 180:sc= 0.00424 USER MOD Single : A 664 SER OG : rot -78:sc= 0.385 USER MOD Single : A 665 GLN : amide:sc= 0.309 K(o=0.31,f=-4.6!) USER MOD Single : A 668 MET CE :methyl 165:sc= -1.22 (180deg=-1.97!) USER MOD Single : A 671 THR OG1 : rot 180:sc= 0 USER MOD Single : A 675 THR OG1 : rot 173:sc= 1.32 USER MOD Single : A 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 679 SER OG : rot 180:sc= 0.0369 USER MOD Single : A 680 GLN : amide:sc= -0.185 K(o=-0.19,f=-4.4!) USER MOD Single : A 681 SER OG : rot 180:sc= 0.00336 USER MOD Single : A 682 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 903 SER OG : rot 180:sc= 0 USER MOD Single : A 906 HIS : no HE2:sc= -0.319 K(o=-0.32,f=-5.7!) USER MOD Single : A 907 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 909 SER OG : rot 180:sc= 0.043 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 641 19.405 -16.762 -15.592 1.00 0.00 N ATOM 2 CA SER A 641 18.822 -18.096 -15.348 1.00 0.00 C ATOM 3 C SER A 641 18.862 -18.433 -13.862 1.00 0.00 C ATOM 4 O SER A 641 17.874 -18.906 -13.297 1.00 0.00 O ATOM 5 CB SER A 641 19.590 -19.154 -16.146 1.00 0.00 C ATOM 6 OG SER A 641 20.901 -18.706 -16.467 1.00 0.00 O ATOM 0 HA SER A 641 17.782 -18.087 -15.673 1.00 0.00 H new ATOM 0 HB2 SER A 641 19.650 -20.076 -15.568 1.00 0.00 H new ATOM 0 HB3 SER A 641 19.048 -19.386 -17.063 1.00 0.00 H new ATOM 0 HG SER A 641 20.948 -17.732 -16.367 1.00 0.00 H new ATOM 12 N LEU A 642 20.014 -18.174 -13.241 1.00 0.00 N ATOM 13 CA LEU A 642 20.245 -18.484 -11.831 1.00 0.00 C ATOM 14 C LEU A 642 20.071 -19.977 -11.565 1.00 0.00 C ATOM 15 O LEU A 642 19.642 -20.388 -10.486 1.00 0.00 O ATOM 16 CB LEU A 642 19.324 -17.659 -10.926 1.00 0.00 C ATOM 17 CG LEU A 642 19.993 -16.461 -10.248 1.00 0.00 C ATOM 18 CD1 LEU A 642 19.063 -15.843 -9.217 1.00 0.00 C ATOM 19 CD2 LEU A 642 21.304 -16.879 -9.595 1.00 0.00 C ATOM 0 H LEU A 642 20.814 -17.742 -13.704 1.00 0.00 H new ATOM 0 HA LEU A 642 21.275 -18.215 -11.596 1.00 0.00 H new ATOM 0 HB2 LEU A 642 18.483 -17.300 -11.519 1.00 0.00 H new ATOM 0 HB3 LEU A 642 18.915 -18.313 -10.156 1.00 0.00 H new ATOM 0 HG LEU A 642 20.209 -15.713 -11.011 1.00 0.00 H new ATOM 0 HD11 LEU A 642 19.556 -14.993 -8.746 1.00 0.00 H new ATOM 0 HD12 LEU A 642 18.149 -15.507 -9.707 1.00 0.00 H new ATOM 0 HD13 LEU A 642 18.816 -16.586 -8.458 1.00 0.00 H new ATOM 0 HD21 LEU A 642 21.765 -16.014 -9.118 1.00 0.00 H new ATOM 0 HD22 LEU A 642 21.109 -17.646 -8.845 1.00 0.00 H new ATOM 0 HD23 LEU A 642 21.978 -17.277 -10.354 1.00 0.00 H new ATOM 31 N GLN A 643 20.411 -20.780 -12.562 1.00 0.00 N ATOM 32 CA GLN A 643 20.359 -22.229 -12.442 1.00 0.00 C ATOM 33 C GLN A 643 21.765 -22.762 -12.216 1.00 0.00 C ATOM 34 O GLN A 643 21.977 -23.960 -12.020 1.00 0.00 O ATOM 35 CB GLN A 643 19.747 -22.850 -13.697 1.00 0.00 C ATOM 36 CG GLN A 643 18.235 -22.979 -13.631 1.00 0.00 C ATOM 37 CD GLN A 643 17.556 -22.484 -14.890 1.00 0.00 C ATOM 38 OE1 GLN A 643 17.495 -21.283 -15.148 1.00 0.00 O ATOM 39 NE2 GLN A 643 17.045 -23.407 -15.687 1.00 0.00 N ATOM 0 H GLN A 643 20.729 -20.448 -13.472 1.00 0.00 H new ATOM 0 HA GLN A 643 19.730 -22.498 -11.593 1.00 0.00 H new ATOM 0 HB2 GLN A 643 20.015 -22.243 -14.561 1.00 0.00 H new ATOM 0 HB3 GLN A 643 20.182 -23.837 -13.854 1.00 0.00 H new ATOM 0 HG2 GLN A 643 17.969 -24.023 -13.465 1.00 0.00 H new ATOM 0 HG3 GLN A 643 17.862 -22.416 -12.775 1.00 0.00 H new ATOM 0 HE21 GLN A 643 17.117 -24.393 -15.437 1.00 0.00 H new ATOM 0 HE22 GLN A 643 16.579 -23.133 -16.552 1.00 0.00 H new ATOM 48 N ASN A 644 22.721 -21.849 -12.275 1.00 0.00 N ATOM 49 CA ASN A 644 24.107 -22.139 -11.957 1.00 0.00 C ATOM 50 C ASN A 644 24.502 -21.320 -10.737 1.00 0.00 C ATOM 51 O ASN A 644 23.824 -20.346 -10.404 1.00 0.00 O ATOM 52 CB ASN A 644 25.001 -21.792 -13.149 1.00 0.00 C ATOM 53 CG ASN A 644 26.350 -22.481 -13.106 1.00 0.00 C ATOM 54 OD1 ASN A 644 26.490 -23.573 -12.558 1.00 0.00 O ATOM 55 ND2 ASN A 644 27.347 -21.847 -13.698 1.00 0.00 N ATOM 0 H ASN A 644 22.555 -20.880 -12.547 1.00 0.00 H new ATOM 0 HA ASN A 644 24.229 -23.200 -11.741 1.00 0.00 H new ATOM 0 HB2 ASN A 644 24.489 -22.068 -14.071 1.00 0.00 H new ATOM 0 HB3 ASN A 644 25.152 -20.713 -13.179 1.00 0.00 H new ATOM 0 HD21 ASN A 644 28.278 -22.262 -13.713 1.00 0.00 H new ATOM 0 HD22 ASN A 644 27.185 -20.942 -14.140 1.00 0.00 H new ATOM 62 N ASN A 645 25.566 -21.713 -10.052 1.00 0.00 N ATOM 63 CA ASN A 645 26.012 -20.972 -8.878 1.00 0.00 C ATOM 64 C ASN A 645 27.416 -20.423 -9.083 1.00 0.00 C ATOM 65 O ASN A 645 28.222 -20.362 -8.154 1.00 0.00 O ATOM 66 CB ASN A 645 25.954 -21.846 -7.624 1.00 0.00 C ATOM 67 CG ASN A 645 25.308 -21.119 -6.460 1.00 0.00 C ATOM 68 OD1 ASN A 645 25.991 -20.618 -5.568 1.00 0.00 O ATOM 69 ND2 ASN A 645 23.986 -21.050 -6.463 1.00 0.00 N ATOM 0 H ASN A 645 26.131 -22.530 -10.283 1.00 0.00 H new ATOM 0 HA ASN A 645 25.334 -20.130 -8.737 1.00 0.00 H new ATOM 0 HB2 ASN A 645 25.394 -22.756 -7.841 1.00 0.00 H new ATOM 0 HB3 ASN A 645 26.963 -22.152 -7.347 1.00 0.00 H new ATOM 0 HD21 ASN A 645 23.499 -20.568 -5.707 1.00 0.00 H new ATOM 0 HD22 ASN A 645 23.455 -21.478 -7.221 1.00 0.00 H new ATOM 76 N GLN A 646 27.698 -20.019 -10.311 1.00 0.00 N ATOM 77 CA GLN A 646 28.989 -19.432 -10.644 1.00 0.00 C ATOM 78 C GLN A 646 28.807 -17.995 -11.114 1.00 0.00 C ATOM 79 O GLN A 646 29.730 -17.184 -11.045 1.00 0.00 O ATOM 80 CB GLN A 646 29.691 -20.254 -11.728 1.00 0.00 C ATOM 81 CG GLN A 646 30.716 -21.230 -11.176 1.00 0.00 C ATOM 82 CD GLN A 646 30.116 -22.582 -10.847 1.00 0.00 C ATOM 83 OE1 GLN A 646 29.839 -22.888 -9.686 1.00 0.00 O ATOM 84 NE2 GLN A 646 29.901 -23.397 -11.865 1.00 0.00 N ATOM 0 H GLN A 646 27.050 -20.086 -11.096 1.00 0.00 H new ATOM 0 HA GLN A 646 29.611 -19.436 -9.749 1.00 0.00 H new ATOM 0 HB2 GLN A 646 28.943 -20.807 -12.296 1.00 0.00 H new ATOM 0 HB3 GLN A 646 30.184 -19.577 -12.425 1.00 0.00 H new ATOM 0 HG2 GLN A 646 31.517 -21.360 -11.904 1.00 0.00 H new ATOM 0 HG3 GLN A 646 31.167 -20.808 -10.277 1.00 0.00 H new ATOM 0 HE21 GLN A 646 30.144 -23.106 -12.812 1.00 0.00 H new ATOM 0 HE22 GLN A 646 29.492 -24.317 -11.704 1.00 0.00 H new ATOM 93 N ASP A 647 27.603 -17.687 -11.580 1.00 0.00 N ATOM 94 CA ASP A 647 27.281 -16.351 -12.068 1.00 0.00 C ATOM 95 C ASP A 647 26.894 -15.433 -10.914 1.00 0.00 C ATOM 96 O ASP A 647 26.750 -14.223 -11.086 1.00 0.00 O ATOM 97 CB ASP A 647 26.151 -16.407 -13.111 1.00 0.00 C ATOM 98 CG ASP A 647 25.010 -17.334 -12.720 1.00 0.00 C ATOM 99 OD1 ASP A 647 25.264 -18.540 -12.486 1.00 0.00 O ATOM 100 OD2 ASP A 647 23.851 -16.869 -12.672 1.00 0.00 O ATOM 0 H ASP A 647 26.829 -18.349 -11.630 1.00 0.00 H new ATOM 0 HA ASP A 647 28.171 -15.945 -12.548 1.00 0.00 H new ATOM 0 HB2 ASP A 647 25.757 -15.402 -13.262 1.00 0.00 H new ATOM 0 HB3 ASP A 647 26.564 -16.734 -14.065 1.00 0.00 H new ATOM 105 N VAL A 648 26.742 -16.014 -9.732 1.00 0.00 N ATOM 106 CA VAL A 648 26.416 -15.248 -8.535 1.00 0.00 C ATOM 107 C VAL A 648 27.674 -14.628 -7.938 1.00 0.00 C ATOM 108 O VAL A 648 28.394 -15.268 -7.172 1.00 0.00 O ATOM 109 CB VAL A 648 25.720 -16.118 -7.460 1.00 0.00 C ATOM 110 CG1 VAL A 648 24.642 -15.319 -6.743 1.00 0.00 C ATOM 111 CG2 VAL A 648 25.130 -17.381 -8.075 1.00 0.00 C ATOM 0 H VAL A 648 26.839 -17.017 -9.575 1.00 0.00 H new ATOM 0 HA VAL A 648 25.725 -14.463 -8.841 1.00 0.00 H new ATOM 0 HB VAL A 648 26.472 -16.419 -6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 648 24.164 -15.947 -5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 648 25.093 -14.452 -6.259 1.00 0.00 H new ATOM 0 HG13 VAL A 648 23.896 -14.985 -7.464 1.00 0.00 H new ATOM 0 HG21 VAL A 648 24.647 -17.973 -7.297 1.00 0.00 H new ATOM 0 HG22 VAL A 648 24.395 -17.108 -8.832 1.00 0.00 H new ATOM 0 HG23 VAL A 648 25.925 -17.967 -8.536 1.00 0.00 H new ATOM 121 N SER A 649 27.947 -13.386 -8.311 1.00 0.00 N ATOM 122 CA SER A 649 29.114 -12.677 -7.816 1.00 0.00 C ATOM 123 C SER A 649 28.704 -11.346 -7.191 1.00 0.00 C ATOM 124 O SER A 649 27.661 -10.790 -7.543 1.00 0.00 O ATOM 125 CB SER A 649 30.098 -12.446 -8.964 1.00 0.00 C ATOM 126 OG SER A 649 29.819 -13.313 -10.054 1.00 0.00 O ATOM 0 H SER A 649 27.371 -12.848 -8.958 1.00 0.00 H new ATOM 0 HA SER A 649 29.597 -13.280 -7.047 1.00 0.00 H new ATOM 0 HB2 SER A 649 30.040 -11.409 -9.295 1.00 0.00 H new ATOM 0 HB3 SER A 649 31.117 -12.612 -8.614 1.00 0.00 H new ATOM 0 HG SER A 649 30.459 -13.146 -10.777 1.00 0.00 H new ATOM 132 N PHE A 650 29.521 -10.856 -6.256 1.00 0.00 N ATOM 133 CA PHE A 650 29.280 -9.573 -5.587 1.00 0.00 C ATOM 134 C PHE A 650 27.983 -9.607 -4.781 1.00 0.00 C ATOM 135 O PHE A 650 27.322 -8.586 -4.601 1.00 0.00 O ATOM 136 CB PHE A 650 29.240 -8.425 -6.604 1.00 0.00 C ATOM 137 CG PHE A 650 30.311 -7.391 -6.387 1.00 0.00 C ATOM 138 CD1 PHE A 650 31.651 -7.732 -6.478 1.00 0.00 C ATOM 139 CD2 PHE A 650 29.977 -6.076 -6.096 1.00 0.00 C ATOM 140 CE1 PHE A 650 32.639 -6.787 -6.277 1.00 0.00 C ATOM 141 CE2 PHE A 650 30.963 -5.125 -5.894 1.00 0.00 C ATOM 142 CZ PHE A 650 32.295 -5.482 -5.988 1.00 0.00 C ATOM 0 H PHE A 650 30.365 -11.334 -5.941 1.00 0.00 H new ATOM 0 HA PHE A 650 30.107 -9.400 -4.899 1.00 0.00 H new ATOM 0 HB2 PHE A 650 29.342 -8.837 -7.608 1.00 0.00 H new ATOM 0 HB3 PHE A 650 28.264 -7.941 -6.555 1.00 0.00 H new ATOM 0 HD1 PHE A 650 31.927 -8.750 -6.709 1.00 0.00 H new ATOM 0 HD2 PHE A 650 28.938 -5.791 -6.026 1.00 0.00 H new ATOM 0 HE1 PHE A 650 33.679 -7.069 -6.346 1.00 0.00 H new ATOM 0 HE2 PHE A 650 30.692 -4.105 -5.663 1.00 0.00 H new ATOM 0 HZ PHE A 650 33.066 -4.741 -5.836 1.00 0.00 H new ATOM 152 N GLU A 651 27.642 -10.787 -4.284 1.00 0.00 N ATOM 153 CA GLU A 651 26.415 -10.988 -3.533 1.00 0.00 C ATOM 154 C GLU A 651 26.586 -10.539 -2.084 1.00 0.00 C ATOM 155 O GLU A 651 25.607 -10.319 -1.371 1.00 0.00 O ATOM 156 CB GLU A 651 26.001 -12.466 -3.597 1.00 0.00 C ATOM 157 CG GLU A 651 26.674 -13.357 -2.557 1.00 0.00 C ATOM 158 CD GLU A 651 28.148 -13.604 -2.832 1.00 0.00 C ATOM 159 OE1 GLU A 651 28.622 -13.292 -3.945 1.00 0.00 O ATOM 160 OE2 GLU A 651 28.841 -14.109 -1.927 1.00 0.00 O ATOM 0 H GLU A 651 28.208 -11.629 -4.390 1.00 0.00 H new ATOM 0 HA GLU A 651 25.628 -10.381 -3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 651 24.921 -12.533 -3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 651 26.230 -12.852 -4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 651 26.568 -12.898 -1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 651 26.154 -14.314 -2.520 1.00 0.00 H new ATOM 167 N ASN A 652 27.837 -10.402 -1.658 1.00 0.00 N ATOM 168 CA ASN A 652 28.138 -10.020 -0.285 1.00 0.00 C ATOM 169 C ASN A 652 27.718 -8.582 -0.018 1.00 0.00 C ATOM 170 O ASN A 652 27.152 -8.277 1.029 1.00 0.00 O ATOM 171 CB ASN A 652 29.630 -10.184 0.004 1.00 0.00 C ATOM 172 CG ASN A 652 29.917 -10.342 1.485 1.00 0.00 C ATOM 173 OD1 ASN A 652 30.357 -9.404 2.148 1.00 0.00 O ATOM 174 ND2 ASN A 652 29.675 -11.529 2.012 1.00 0.00 N ATOM 0 H ASN A 652 28.658 -10.550 -2.244 1.00 0.00 H new ATOM 0 HA ASN A 652 27.574 -10.678 0.376 1.00 0.00 H new ATOM 0 HB2 ASN A 652 30.008 -11.055 -0.532 1.00 0.00 H new ATOM 0 HB3 ASN A 652 30.169 -9.317 -0.377 1.00 0.00 H new ATOM 0 HD21 ASN A 652 29.853 -11.693 3.003 1.00 0.00 H new ATOM 0 HD22 ASN A 652 29.310 -12.281 1.428 1.00 0.00 H new ATOM 181 N ILE A 653 27.987 -7.709 -0.974 1.00 0.00 N ATOM 182 CA ILE A 653 27.650 -6.301 -0.837 1.00 0.00 C ATOM 183 C ILE A 653 26.422 -5.972 -1.675 1.00 0.00 C ATOM 184 O ILE A 653 26.529 -5.740 -2.878 1.00 0.00 O ATOM 185 CB ILE A 653 28.820 -5.390 -1.267 1.00 0.00 C ATOM 186 CG1 ILE A 653 30.163 -6.025 -0.901 1.00 0.00 C ATOM 187 CG2 ILE A 653 28.689 -4.017 -0.623 1.00 0.00 C ATOM 188 CD1 ILE A 653 31.125 -6.133 -2.065 1.00 0.00 C ATOM 0 H ILE A 653 28.439 -7.951 -1.856 1.00 0.00 H new ATOM 0 HA ILE A 653 27.441 -6.116 0.217 1.00 0.00 H new ATOM 0 HB ILE A 653 28.781 -5.271 -2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 653 30.629 -5.437 -0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 653 29.985 -7.021 -0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 653 29.522 -3.387 -0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 653 27.750 -3.558 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 653 28.701 -4.121 0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 653 32.054 -6.593 -1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 653 30.680 -6.746 -2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 653 31.334 -5.138 -2.458 1.00 0.00 H new ATOM 200 N GLN A 654 25.261 -5.954 -1.035 1.00 0.00 N ATOM 201 CA GLN A 654 24.004 -5.716 -1.734 1.00 0.00 C ATOM 202 C GLN A 654 23.762 -4.221 -1.938 1.00 0.00 C ATOM 203 O GLN A 654 22.707 -3.692 -1.578 1.00 0.00 O ATOM 204 CB GLN A 654 22.839 -6.333 -0.958 1.00 0.00 C ATOM 205 CG GLN A 654 22.743 -7.843 -1.107 1.00 0.00 C ATOM 206 CD GLN A 654 21.338 -8.314 -1.446 1.00 0.00 C ATOM 207 OE1 GLN A 654 20.331 -7.563 -1.018 1.00 0.00 O flip ATOM 208 NE2 GLN A 654 21.161 -9.350 -2.090 1.00 0.00 N flip ATOM 0 H GLN A 654 25.163 -6.102 -0.031 1.00 0.00 H new ATOM 0 HA GLN A 654 24.070 -6.189 -2.714 1.00 0.00 H new ATOM 0 HB2 GLN A 654 22.945 -6.086 0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 654 21.907 -5.882 -1.298 1.00 0.00 H new ATOM 0 HG2 GLN A 654 23.429 -8.171 -1.888 1.00 0.00 H new ATOM 0 HG3 GLN A 654 23.066 -8.316 -0.180 1.00 0.00 H new ATOM 0 HE21 GLN A 654 21.962 -9.900 -2.401 1.00 0.00 H new ATOM 0 HE22 GLN A 654 20.214 -9.657 -2.312 1.00 0.00 H new ATOM 217 N TRP A 655 24.736 -3.544 -2.524 1.00 0.00 N ATOM 218 CA TRP A 655 24.622 -2.119 -2.777 1.00 0.00 C ATOM 219 C TRP A 655 24.202 -1.865 -4.221 1.00 0.00 C ATOM 220 O TRP A 655 24.755 -2.443 -5.160 1.00 0.00 O ATOM 221 CB TRP A 655 25.936 -1.393 -2.443 1.00 0.00 C ATOM 222 CG TRP A 655 27.039 -1.590 -3.445 1.00 0.00 C ATOM 223 CD1 TRP A 655 27.650 -2.764 -3.773 1.00 0.00 C ATOM 224 CD2 TRP A 655 27.670 -0.576 -4.238 1.00 0.00 C ATOM 225 NE1 TRP A 655 28.614 -2.547 -4.726 1.00 0.00 N ATOM 226 CE2 TRP A 655 28.648 -1.213 -5.028 1.00 0.00 C ATOM 227 CE3 TRP A 655 27.501 0.807 -4.363 1.00 0.00 C ATOM 228 CZ2 TRP A 655 29.454 -0.513 -5.924 1.00 0.00 C ATOM 229 CZ3 TRP A 655 28.302 1.499 -5.252 1.00 0.00 C ATOM 230 CH2 TRP A 655 29.267 0.837 -6.024 1.00 0.00 C ATOM 0 H TRP A 655 25.615 -3.960 -2.833 1.00 0.00 H new ATOM 0 HA TRP A 655 23.848 -1.716 -2.124 1.00 0.00 H new ATOM 0 HB2 TRP A 655 25.732 -0.326 -2.354 1.00 0.00 H new ATOM 0 HB3 TRP A 655 26.285 -1.734 -1.468 1.00 0.00 H new ATOM 0 HD1 TRP A 655 27.410 -3.726 -3.345 1.00 0.00 H new ATOM 0 HE1 TRP A 655 29.209 -3.264 -5.142 1.00 0.00 H new ATOM 0 HE3 TRP A 655 26.758 1.325 -3.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 655 30.200 -1.020 -6.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 655 28.182 2.568 -5.354 1.00 0.00 H new ATOM 0 HH2 TRP A 655 29.875 1.406 -6.712 1.00 0.00 H new ATOM 241 N SER A 656 23.203 -1.022 -4.394 1.00 0.00 N ATOM 242 CA SER A 656 22.712 -0.696 -5.718 1.00 0.00 C ATOM 243 C SER A 656 23.495 0.479 -6.293 1.00 0.00 C ATOM 244 O SER A 656 23.423 1.596 -5.781 1.00 0.00 O ATOM 245 CB SER A 656 21.218 -0.371 -5.655 1.00 0.00 C ATOM 246 OG SER A 656 20.628 -0.927 -4.486 1.00 0.00 O ATOM 0 H SER A 656 22.715 -0.550 -3.633 1.00 0.00 H new ATOM 0 HA SER A 656 22.853 -1.556 -6.373 1.00 0.00 H new ATOM 0 HB2 SER A 656 21.076 0.710 -5.660 1.00 0.00 H new ATOM 0 HB3 SER A 656 20.719 -0.763 -6.541 1.00 0.00 H new ATOM 0 HG SER A 656 19.673 -0.706 -4.465 1.00 0.00 H new ATOM 252 N ILE A 657 24.259 0.215 -7.346 1.00 0.00 N ATOM 253 CA ILE A 657 25.075 1.243 -7.981 1.00 0.00 C ATOM 254 C ILE A 657 24.198 2.235 -8.733 1.00 0.00 C ATOM 255 O ILE A 657 24.633 3.329 -9.097 1.00 0.00 O ATOM 256 CB ILE A 657 26.111 0.626 -8.948 1.00 0.00 C ATOM 257 CG1 ILE A 657 26.619 -0.716 -8.413 1.00 0.00 C ATOM 258 CG2 ILE A 657 27.274 1.581 -9.160 1.00 0.00 C ATOM 259 CD1 ILE A 657 26.122 -1.910 -9.198 1.00 0.00 C ATOM 0 H ILE A 657 24.331 -0.705 -7.780 1.00 0.00 H new ATOM 0 HA ILE A 657 25.613 1.766 -7.190 1.00 0.00 H new ATOM 0 HB ILE A 657 25.622 0.452 -9.906 1.00 0.00 H new ATOM 0 HG12 ILE A 657 27.709 -0.713 -8.424 1.00 0.00 H new ATOM 0 HG13 ILE A 657 26.311 -0.822 -7.373 1.00 0.00 H new ATOM 0 HG21 ILE A 657 27.994 1.131 -9.843 1.00 0.00 H new ATOM 0 HG22 ILE A 657 26.905 2.515 -9.585 1.00 0.00 H new ATOM 0 HG23 ILE A 657 27.758 1.783 -8.204 1.00 0.00 H new ATOM 0 HD11 ILE A 657 26.523 -2.825 -8.761 1.00 0.00 H new ATOM 0 HD12 ILE A 657 25.033 -1.939 -9.166 1.00 0.00 H new ATOM 0 HD13 ILE A 657 26.452 -1.828 -10.234 1.00 0.00 H new ATOM 271 N ASP A 658 22.960 1.836 -8.945 1.00 0.00 N ATOM 272 CA ASP A 658 21.967 2.673 -9.604 1.00 0.00 C ATOM 273 C ASP A 658 21.731 3.943 -8.792 1.00 0.00 C ATOM 274 O ASP A 658 21.631 3.894 -7.564 1.00 0.00 O ATOM 275 CB ASP A 658 20.644 1.915 -9.768 1.00 0.00 C ATOM 276 CG ASP A 658 20.833 0.448 -10.111 1.00 0.00 C ATOM 277 OD1 ASP A 658 21.319 -0.316 -9.247 1.00 0.00 O ATOM 278 OD2 ASP A 658 20.492 0.048 -11.245 1.00 0.00 O ATOM 0 H ASP A 658 22.609 0.920 -8.666 1.00 0.00 H new ATOM 0 HA ASP A 658 22.344 2.939 -10.591 1.00 0.00 H new ATOM 0 HB2 ASP A 658 20.070 1.994 -8.845 1.00 0.00 H new ATOM 0 HB3 ASP A 658 20.055 2.391 -10.551 1.00 0.00 H new ATOM 283 N PRO A 659 21.632 5.098 -9.466 1.00 0.00 N ATOM 284 CA PRO A 659 21.474 6.397 -8.808 1.00 0.00 C ATOM 285 C PRO A 659 20.041 6.657 -8.337 1.00 0.00 C ATOM 286 O PRO A 659 19.412 7.640 -8.734 1.00 0.00 O ATOM 287 CB PRO A 659 21.865 7.384 -9.907 1.00 0.00 C ATOM 288 CG PRO A 659 21.476 6.706 -11.172 1.00 0.00 C ATOM 289 CD PRO A 659 21.665 5.230 -10.937 1.00 0.00 C ATOM 0 HA PRO A 659 22.076 6.472 -7.903 1.00 0.00 H new ATOM 0 HB2 PRO A 659 21.345 8.335 -9.790 1.00 0.00 H new ATOM 0 HB3 PRO A 659 22.933 7.600 -9.885 1.00 0.00 H new ATOM 0 HG2 PRO A 659 20.441 6.929 -11.430 1.00 0.00 H new ATOM 0 HG3 PRO A 659 22.093 7.049 -12.003 1.00 0.00 H new ATOM 0 HD2 PRO A 659 20.875 4.646 -11.408 1.00 0.00 H new ATOM 0 HD3 PRO A 659 22.611 4.878 -11.349 1.00 0.00 H new ATOM 297 N GLY A 660 19.534 5.769 -7.493 1.00 0.00 N ATOM 298 CA GLY A 660 18.196 5.930 -6.960 1.00 0.00 C ATOM 299 C GLY A 660 17.132 5.360 -7.875 1.00 0.00 C ATOM 300 O GLY A 660 16.280 6.092 -8.383 1.00 0.00 O ATOM 0 H GLY A 660 20.027 4.938 -7.167 1.00 0.00 H new ATOM 0 HA2 GLY A 660 18.135 5.440 -5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 660 17.999 6.989 -6.796 1.00 0.00 H new ATOM 304 N ALA A 661 17.174 4.051 -8.078 1.00 0.00 N ATOM 305 CA ALA A 661 16.180 3.371 -8.895 1.00 0.00 C ATOM 306 C ALA A 661 14.995 2.962 -8.036 1.00 0.00 C ATOM 307 O ALA A 661 13.903 2.690 -8.545 1.00 0.00 O ATOM 308 CB ALA A 661 16.790 2.155 -9.576 1.00 0.00 C ATOM 0 H ALA A 661 17.888 3.437 -7.687 1.00 0.00 H new ATOM 0 HA ALA A 661 15.833 4.056 -9.669 1.00 0.00 H new ATOM 0 HB1 ALA A 661 16.032 1.659 -10.182 1.00 0.00 H new ATOM 0 HB2 ALA A 661 17.615 2.471 -10.214 1.00 0.00 H new ATOM 0 HB3 ALA A 661 17.160 1.462 -8.820 1.00 0.00 H new ATOM 314 N ASP A 662 15.230 2.933 -6.724 1.00 0.00 N ATOM 315 CA ASP A 662 14.205 2.584 -5.744 1.00 0.00 C ATOM 316 C ASP A 662 13.726 1.147 -5.941 1.00 0.00 C ATOM 317 O ASP A 662 14.479 0.292 -6.407 1.00 0.00 O ATOM 318 CB ASP A 662 13.027 3.563 -5.824 1.00 0.00 C ATOM 319 CG ASP A 662 12.755 4.251 -4.505 1.00 0.00 C ATOM 320 OD1 ASP A 662 13.443 5.249 -4.198 1.00 0.00 O ATOM 321 OD2 ASP A 662 11.844 3.806 -3.774 1.00 0.00 O ATOM 0 H ASP A 662 16.137 3.151 -6.312 1.00 0.00 H new ATOM 0 HA ASP A 662 14.648 2.658 -4.751 1.00 0.00 H new ATOM 0 HB2 ASP A 662 13.234 4.314 -6.586 1.00 0.00 H new ATOM 0 HB3 ASP A 662 12.133 3.026 -6.141 1.00 0.00 H new ATOM 326 N LEU A 663 12.477 0.886 -5.594 1.00 0.00 N ATOM 327 CA LEU A 663 11.920 -0.454 -5.688 1.00 0.00 C ATOM 328 C LEU A 663 10.821 -0.491 -6.742 1.00 0.00 C ATOM 329 O LEU A 663 9.683 -0.870 -6.459 1.00 0.00 O ATOM 330 CB LEU A 663 11.366 -0.889 -4.330 1.00 0.00 C ATOM 331 CG LEU A 663 12.162 -1.981 -3.612 1.00 0.00 C ATOM 332 CD1 LEU A 663 13.575 -1.507 -3.300 1.00 0.00 C ATOM 333 CD2 LEU A 663 11.448 -2.394 -2.337 1.00 0.00 C ATOM 0 H LEU A 663 11.826 1.588 -5.243 1.00 0.00 H new ATOM 0 HA LEU A 663 12.710 -1.145 -5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 663 11.315 -0.015 -3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 663 10.344 -1.241 -4.470 1.00 0.00 H new ATOM 0 HG LEU A 663 12.234 -2.845 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 663 14.121 -2.301 -2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 663 14.087 -1.253 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 663 13.530 -0.627 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 663 12.023 -3.172 -1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 663 11.351 -1.531 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 663 10.457 -2.777 -2.582 1.00 0.00 H new ATOM 345 N SER A 664 11.180 -0.112 -7.960 1.00 0.00 N ATOM 346 CA SER A 664 10.222 0.038 -9.045 1.00 0.00 C ATOM 347 C SER A 664 9.463 -1.261 -9.328 1.00 0.00 C ATOM 348 O SER A 664 8.246 -1.250 -9.522 1.00 0.00 O ATOM 349 CB SER A 664 10.957 0.499 -10.302 1.00 0.00 C ATOM 350 OG SER A 664 12.361 0.528 -10.083 1.00 0.00 O ATOM 0 H SER A 664 12.142 0.100 -8.223 1.00 0.00 H new ATOM 0 HA SER A 664 9.485 0.782 -8.745 1.00 0.00 H new ATOM 0 HB2 SER A 664 10.727 -0.172 -11.130 1.00 0.00 H new ATOM 0 HB3 SER A 664 10.609 1.491 -10.589 1.00 0.00 H new ATOM 0 HG SER A 664 12.597 1.335 -9.579 1.00 0.00 H new ATOM 356 N GLN A 665 10.179 -2.379 -9.337 1.00 0.00 N ATOM 357 CA GLN A 665 9.586 -3.667 -9.695 1.00 0.00 C ATOM 358 C GLN A 665 8.770 -4.246 -8.544 1.00 0.00 C ATOM 359 O GLN A 665 7.848 -5.035 -8.760 1.00 0.00 O ATOM 360 CB GLN A 665 10.676 -4.659 -10.106 1.00 0.00 C ATOM 361 CG GLN A 665 11.612 -4.130 -11.182 1.00 0.00 C ATOM 362 CD GLN A 665 12.815 -3.408 -10.603 1.00 0.00 C ATOM 363 OE1 GLN A 665 12.897 -3.177 -9.394 1.00 0.00 O ATOM 364 NE2 GLN A 665 13.746 -3.034 -11.460 1.00 0.00 N ATOM 0 H GLN A 665 11.170 -2.422 -9.101 1.00 0.00 H new ATOM 0 HA GLN A 665 8.915 -3.497 -10.537 1.00 0.00 H new ATOM 0 HB2 GLN A 665 11.262 -4.926 -9.227 1.00 0.00 H new ATOM 0 HB3 GLN A 665 10.205 -5.574 -10.465 1.00 0.00 H new ATOM 0 HG2 GLN A 665 11.954 -4.959 -11.801 1.00 0.00 H new ATOM 0 HG3 GLN A 665 11.063 -3.450 -11.834 1.00 0.00 H new ATOM 0 HE21 GLN A 665 13.640 -3.245 -12.452 1.00 0.00 H new ATOM 0 HE22 GLN A 665 14.572 -2.534 -11.130 1.00 0.00 H new ATOM 373 N TYR A 666 9.098 -3.841 -7.327 1.00 0.00 N ATOM 374 CA TYR A 666 8.419 -4.359 -6.146 1.00 0.00 C ATOM 375 C TYR A 666 7.242 -3.468 -5.767 1.00 0.00 C ATOM 376 O TYR A 666 6.496 -3.770 -4.833 1.00 0.00 O ATOM 377 CB TYR A 666 9.395 -4.461 -4.971 1.00 0.00 C ATOM 378 CG TYR A 666 10.404 -5.578 -5.113 1.00 0.00 C ATOM 379 CD1 TYR A 666 9.995 -6.883 -5.357 1.00 0.00 C ATOM 380 CD2 TYR A 666 11.764 -5.328 -4.994 1.00 0.00 C ATOM 381 CE1 TYR A 666 10.911 -7.907 -5.476 1.00 0.00 C ATOM 382 CE2 TYR A 666 12.689 -6.347 -5.116 1.00 0.00 C ATOM 383 CZ TYR A 666 12.257 -7.636 -5.353 1.00 0.00 C ATOM 384 OH TYR A 666 13.175 -8.656 -5.462 1.00 0.00 O ATOM 0 H TYR A 666 9.828 -3.157 -7.130 1.00 0.00 H new ATOM 0 HA TYR A 666 8.042 -5.354 -6.381 1.00 0.00 H new ATOM 0 HB2 TYR A 666 9.926 -3.515 -4.868 1.00 0.00 H new ATOM 0 HB3 TYR A 666 8.829 -4.610 -4.052 1.00 0.00 H new ATOM 0 HD1 TYR A 666 8.941 -7.099 -5.455 1.00 0.00 H new ATOM 0 HD2 TYR A 666 12.105 -4.321 -4.803 1.00 0.00 H new ATOM 0 HE1 TYR A 666 10.576 -8.916 -5.665 1.00 0.00 H new ATOM 0 HE2 TYR A 666 13.744 -6.136 -5.026 1.00 0.00 H new ATOM 0 HH TYR A 666 14.079 -8.295 -5.352 1.00 0.00 H new ATOM 394 N LYS A 667 7.086 -2.370 -6.497 1.00 0.00 N ATOM 395 CA LYS A 667 6.020 -1.416 -6.236 1.00 0.00 C ATOM 396 C LYS A 667 4.659 -2.033 -6.496 1.00 0.00 C ATOM 397 O LYS A 667 4.382 -2.515 -7.598 1.00 0.00 O ATOM 398 CB LYS A 667 6.172 -0.192 -7.127 1.00 0.00 C ATOM 399 CG LYS A 667 6.944 0.948 -6.492 1.00 0.00 C ATOM 400 CD LYS A 667 7.057 2.132 -7.440 1.00 0.00 C ATOM 401 CE LYS A 667 5.734 2.872 -7.569 1.00 0.00 C ATOM 402 NZ LYS A 667 5.677 4.071 -6.694 1.00 0.00 N ATOM 0 H LYS A 667 7.690 -2.119 -7.280 1.00 0.00 H new ATOM 0 HA LYS A 667 6.092 -1.127 -5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 667 6.674 -0.487 -8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 667 5.181 0.166 -7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 667 6.447 1.260 -5.574 1.00 0.00 H new ATOM 0 HG3 LYS A 667 7.941 0.605 -6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 667 7.824 2.817 -7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 667 7.377 1.784 -8.422 1.00 0.00 H new ATOM 0 HE2 LYS A 667 5.587 3.173 -8.606 1.00 0.00 H new ATOM 0 HE3 LYS A 667 4.916 2.198 -7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 5.015 4.764 -7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 5.352 3.794 -5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 6.624 4.496 -6.625 1.00 0.00 H new ATOM 416 N MET A 668 3.818 -2.012 -5.488 1.00 0.00 N ATOM 417 CA MET A 668 2.450 -2.457 -5.637 1.00 0.00 C ATOM 418 C MET A 668 1.550 -1.250 -5.846 1.00 0.00 C ATOM 419 O MET A 668 1.005 -0.694 -4.892 1.00 0.00 O ATOM 420 CB MET A 668 2.025 -3.250 -4.406 1.00 0.00 C ATOM 421 CG MET A 668 0.848 -4.183 -4.645 1.00 0.00 C ATOM 422 SD MET A 668 0.930 -5.683 -3.641 1.00 0.00 S ATOM 423 CE MET A 668 1.728 -5.069 -2.155 1.00 0.00 C ATOM 0 H MET A 668 4.058 -1.690 -4.551 1.00 0.00 H new ATOM 0 HA MET A 668 2.366 -3.110 -6.505 1.00 0.00 H new ATOM 0 HB2 MET A 668 2.874 -3.836 -4.054 1.00 0.00 H new ATOM 0 HB3 MET A 668 1.766 -2.553 -3.609 1.00 0.00 H new ATOM 0 HG2 MET A 668 -0.080 -3.654 -4.425 1.00 0.00 H new ATOM 0 HG3 MET A 668 0.816 -4.458 -5.699 1.00 0.00 H new ATOM 0 HE1 MET A 668 1.609 -5.796 -1.351 1.00 0.00 H new ATOM 0 HE2 MET A 668 2.789 -4.913 -2.350 1.00 0.00 H new ATOM 0 HE3 MET A 668 1.271 -4.125 -1.860 1.00 0.00 H new ATOM 433 N ASP A 669 1.441 -0.823 -7.097 1.00 0.00 N ATOM 434 CA ASP A 669 0.629 0.336 -7.446 1.00 0.00 C ATOM 435 C ASP A 669 -0.846 0.027 -7.241 1.00 0.00 C ATOM 436 O ASP A 669 -1.417 -0.815 -7.935 1.00 0.00 O ATOM 437 CB ASP A 669 0.879 0.755 -8.895 1.00 0.00 C ATOM 438 CG ASP A 669 0.385 2.159 -9.180 1.00 0.00 C ATOM 439 OD1 ASP A 669 0.848 3.107 -8.506 1.00 0.00 O ATOM 440 OD2 ASP A 669 -0.457 2.326 -10.087 1.00 0.00 O ATOM 0 H ASP A 669 1.907 -1.264 -7.890 1.00 0.00 H new ATOM 0 HA ASP A 669 0.913 1.161 -6.793 1.00 0.00 H new ATOM 0 HB2 ASP A 669 1.946 0.697 -9.109 1.00 0.00 H new ATOM 0 HB3 ASP A 669 0.381 0.054 -9.565 1.00 0.00 H new ATOM 445 N VAL A 670 -1.454 0.706 -6.285 1.00 0.00 N ATOM 446 CA VAL A 670 -2.824 0.424 -5.905 1.00 0.00 C ATOM 447 C VAL A 670 -3.816 1.151 -6.809 1.00 0.00 C ATOM 448 O VAL A 670 -3.865 2.382 -6.841 1.00 0.00 O ATOM 449 CB VAL A 670 -3.091 0.824 -4.440 1.00 0.00 C ATOM 450 CG1 VAL A 670 -4.443 0.310 -3.981 1.00 0.00 C ATOM 451 CG2 VAL A 670 -1.984 0.309 -3.527 1.00 0.00 C ATOM 0 H VAL A 670 -1.017 1.460 -5.756 1.00 0.00 H new ATOM 0 HA VAL A 670 -2.965 -0.651 -6.016 1.00 0.00 H new ATOM 0 HB VAL A 670 -3.101 1.912 -4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -4.611 0.603 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -5.226 0.734 -4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -4.464 -0.777 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -2.194 0.603 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -1.936 -0.778 -3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 670 -1.029 0.733 -3.838 1.00 0.00 H new ATOM 461 N THR A 671 -4.594 0.380 -7.548 1.00 0.00 N ATOM 462 CA THR A 671 -5.669 0.929 -8.355 1.00 0.00 C ATOM 463 C THR A 671 -6.947 1.017 -7.528 1.00 0.00 C ATOM 464 O THR A 671 -7.445 0.010 -7.028 1.00 0.00 O ATOM 465 CB THR A 671 -5.917 0.071 -9.614 1.00 0.00 C ATOM 466 OG1 THR A 671 -4.730 -0.663 -9.953 1.00 0.00 O ATOM 467 CG2 THR A 671 -6.332 0.944 -10.788 1.00 0.00 C ATOM 0 H THR A 671 -4.500 -0.634 -7.606 1.00 0.00 H new ATOM 0 HA THR A 671 -5.374 1.928 -8.677 1.00 0.00 H new ATOM 0 HB THR A 671 -6.724 -0.628 -9.397 1.00 0.00 H new ATOM 0 HG1 THR A 671 -4.898 -1.205 -10.752 1.00 0.00 H new ATOM 0 HG21 THR A 671 -6.502 0.319 -11.664 1.00 0.00 H new ATOM 0 HG22 THR A 671 -7.250 1.476 -10.539 1.00 0.00 H new ATOM 0 HG23 THR A 671 -5.542 1.664 -11.003 1.00 0.00 H new ATOM 475 N VAL A 672 -7.453 2.226 -7.353 1.00 0.00 N ATOM 476 CA VAL A 672 -8.654 2.442 -6.558 1.00 0.00 C ATOM 477 C VAL A 672 -9.887 2.472 -7.449 1.00 0.00 C ATOM 478 O VAL A 672 -9.989 3.298 -8.356 1.00 0.00 O ATOM 479 CB VAL A 672 -8.576 3.750 -5.743 1.00 0.00 C ATOM 480 CG1 VAL A 672 -9.264 3.576 -4.399 1.00 0.00 C ATOM 481 CG2 VAL A 672 -7.131 4.185 -5.540 1.00 0.00 C ATOM 0 H VAL A 672 -7.052 3.075 -7.751 1.00 0.00 H new ATOM 0 HA VAL A 672 -8.729 1.609 -5.859 1.00 0.00 H new ATOM 0 HB VAL A 672 -9.089 4.529 -6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -9.201 4.507 -3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -10.311 3.317 -4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -8.774 2.779 -3.840 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -7.107 5.109 -4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -6.589 3.407 -5.002 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -6.661 4.351 -6.510 1.00 0.00 H new ATOM 491 N ILE A 673 -10.815 1.565 -7.189 1.00 0.00 N ATOM 492 CA ILE A 673 -12.010 1.433 -8.011 1.00 0.00 C ATOM 493 C ILE A 673 -13.102 2.399 -7.560 1.00 0.00 C ATOM 494 O ILE A 673 -13.442 2.459 -6.375 1.00 0.00 O ATOM 495 CB ILE A 673 -12.554 -0.015 -7.982 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.605 -0.957 -8.730 1.00 0.00 C ATOM 497 CG2 ILE A 673 -13.954 -0.082 -8.583 1.00 0.00 C ATOM 498 CD1 ILE A 673 -10.853 -1.901 -7.815 1.00 0.00 C ATOM 0 H ILE A 673 -10.764 0.906 -6.412 1.00 0.00 H new ATOM 0 HA ILE A 673 -11.723 1.680 -9.033 1.00 0.00 H new ATOM 0 HB ILE A 673 -12.615 -0.335 -6.942 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -12.177 -1.540 -9.451 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -10.888 -0.364 -9.297 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -14.315 -1.110 -8.551 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -14.627 0.556 -8.010 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -13.923 0.260 -9.618 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -10.199 -2.540 -8.409 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -10.254 -1.324 -7.110 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -11.564 -2.519 -7.267 1.00 0.00 H new ATOM 510 N ASP A 674 -13.631 3.155 -8.515 1.00 0.00 N ATOM 511 CA ASP A 674 -14.729 4.083 -8.260 1.00 0.00 C ATOM 512 C ASP A 674 -16.041 3.328 -8.061 1.00 0.00 C ATOM 513 O ASP A 674 -16.572 2.717 -8.992 1.00 0.00 O ATOM 514 CB ASP A 674 -14.861 5.070 -9.423 1.00 0.00 C ATOM 515 CG ASP A 674 -16.054 5.994 -9.279 1.00 0.00 C ATOM 516 OD1 ASP A 674 -15.997 6.918 -8.445 1.00 0.00 O ATOM 517 OD2 ASP A 674 -17.052 5.808 -10.014 1.00 0.00 O ATOM 0 H ASP A 674 -13.313 3.143 -9.484 1.00 0.00 H new ATOM 0 HA ASP A 674 -14.509 4.635 -7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -13.952 5.667 -9.492 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -14.949 4.514 -10.357 1.00 0.00 H new ATOM 522 N THR A 675 -16.557 3.360 -6.846 1.00 0.00 N ATOM 523 CA THR A 675 -17.772 2.637 -6.517 1.00 0.00 C ATOM 524 C THR A 675 -19.011 3.523 -6.631 1.00 0.00 C ATOM 525 O THR A 675 -19.466 4.101 -5.641 1.00 0.00 O ATOM 526 CB THR A 675 -17.692 2.064 -5.092 1.00 0.00 C ATOM 527 OG1 THR A 675 -16.485 2.508 -4.459 1.00 0.00 O ATOM 528 CG2 THR A 675 -17.729 0.544 -5.115 1.00 0.00 C ATOM 0 H THR A 675 -16.152 3.881 -6.068 1.00 0.00 H new ATOM 0 HA THR A 675 -17.862 1.824 -7.237 1.00 0.00 H new ATOM 0 HB THR A 675 -18.554 2.421 -4.529 1.00 0.00 H new ATOM 0 HG1 THR A 675 -16.489 2.234 -3.518 1.00 0.00 H new ATOM 0 HG21 THR A 675 -17.671 0.163 -4.095 1.00 0.00 H new ATOM 0 HG22 THR A 675 -18.659 0.210 -5.575 1.00 0.00 H new ATOM 0 HG23 THR A 675 -16.884 0.168 -5.691 1.00 0.00 H new ATOM 536 N LYS A 676 -19.549 3.631 -7.841 1.00 0.00 N ATOM 537 CA LYS A 676 -20.808 4.339 -8.056 1.00 0.00 C ATOM 538 C LYS A 676 -21.963 3.529 -7.473 1.00 0.00 C ATOM 539 O LYS A 676 -23.027 4.062 -7.151 1.00 0.00 O ATOM 540 CB LYS A 676 -21.038 4.592 -9.551 1.00 0.00 C ATOM 541 CG LYS A 676 -21.152 3.323 -10.387 1.00 0.00 C ATOM 542 CD LYS A 676 -20.053 3.243 -11.434 1.00 0.00 C ATOM 543 CE LYS A 676 -20.157 1.970 -12.260 1.00 0.00 C ATOM 544 NZ LYS A 676 -19.762 2.193 -13.678 1.00 0.00 N ATOM 0 H LYS A 676 -19.135 3.239 -8.687 1.00 0.00 H new ATOM 0 HA LYS A 676 -20.758 5.303 -7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -21.949 5.178 -9.673 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -20.217 5.196 -9.937 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -21.099 2.451 -9.735 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -22.125 3.296 -10.877 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -20.113 4.110 -12.092 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -19.080 3.281 -10.944 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -19.520 1.201 -11.823 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -21.180 1.596 -12.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -19.847 1.301 -14.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -20.385 2.908 -14.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -18.777 2.525 -13.716 1.00 0.00 H new ATOM 558 N ASP A 677 -21.729 2.229 -7.346 1.00 0.00 N ATOM 559 CA ASP A 677 -22.699 1.309 -6.778 1.00 0.00 C ATOM 560 C ASP A 677 -22.908 1.616 -5.304 1.00 0.00 C ATOM 561 O ASP A 677 -22.049 1.338 -4.465 1.00 0.00 O ATOM 562 CB ASP A 677 -22.235 -0.146 -6.941 1.00 0.00 C ATOM 563 CG ASP A 677 -21.512 -0.400 -8.251 1.00 0.00 C ATOM 564 OD1 ASP A 677 -20.356 0.066 -8.403 1.00 0.00 O ATOM 565 OD2 ASP A 677 -22.086 -1.081 -9.125 1.00 0.00 O ATOM 0 H ASP A 677 -20.858 1.784 -7.636 1.00 0.00 H new ATOM 0 HA ASP A 677 -23.640 1.436 -7.312 1.00 0.00 H new ATOM 0 HB2 ASP A 677 -21.575 -0.405 -6.113 1.00 0.00 H new ATOM 0 HB3 ASP A 677 -23.100 -0.806 -6.877 1.00 0.00 H new ATOM 570 N GLY A 678 -24.042 2.214 -5.004 1.00 0.00 N ATOM 571 CA GLY A 678 -24.370 2.538 -3.635 1.00 0.00 C ATOM 572 C GLY A 678 -25.039 3.886 -3.526 1.00 0.00 C ATOM 573 O GLY A 678 -26.038 4.037 -2.822 1.00 0.00 O ATOM 0 H GLY A 678 -24.749 2.484 -5.688 1.00 0.00 H new ATOM 0 HA2 GLY A 678 -25.028 1.771 -3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 678 -23.462 2.532 -3.032 1.00 0.00 H new ATOM 577 N SER A 679 -24.501 4.865 -4.239 1.00 0.00 N ATOM 578 CA SER A 679 -25.057 6.208 -4.225 1.00 0.00 C ATOM 579 C SER A 679 -26.274 6.292 -5.143 1.00 0.00 C ATOM 580 O SER A 679 -27.282 6.911 -4.801 1.00 0.00 O ATOM 581 CB SER A 679 -23.987 7.216 -4.644 1.00 0.00 C ATOM 582 OG SER A 679 -22.690 6.670 -4.456 1.00 0.00 O ATOM 0 H SER A 679 -23.680 4.753 -4.834 1.00 0.00 H new ATOM 0 HA SER A 679 -25.383 6.448 -3.213 1.00 0.00 H new ATOM 0 HB2 SER A 679 -24.125 7.489 -5.690 1.00 0.00 H new ATOM 0 HB3 SER A 679 -24.091 8.130 -4.060 1.00 0.00 H new ATOM 0 HG SER A 679 -22.016 7.326 -4.730 1.00 0.00 H new ATOM 588 N GLN A 680 -26.178 5.655 -6.301 1.00 0.00 N ATOM 589 CA GLN A 680 -27.289 5.603 -7.236 1.00 0.00 C ATOM 590 C GLN A 680 -28.067 4.305 -7.050 1.00 0.00 C ATOM 591 O GLN A 680 -27.588 3.229 -7.405 1.00 0.00 O ATOM 592 CB GLN A 680 -26.783 5.710 -8.678 1.00 0.00 C ATOM 593 CG GLN A 680 -26.287 7.098 -9.050 1.00 0.00 C ATOM 594 CD GLN A 680 -24.777 7.217 -8.996 1.00 0.00 C ATOM 595 OE1 GLN A 680 -24.142 6.806 -8.029 1.00 0.00 O ATOM 596 NE2 GLN A 680 -24.194 7.789 -10.034 1.00 0.00 N ATOM 0 H GLN A 680 -25.339 5.166 -6.615 1.00 0.00 H new ATOM 0 HA GLN A 680 -27.950 6.446 -7.037 1.00 0.00 H new ATOM 0 HB2 GLN A 680 -25.975 4.994 -8.824 1.00 0.00 H new ATOM 0 HB3 GLN A 680 -27.587 5.427 -9.358 1.00 0.00 H new ATOM 0 HG2 GLN A 680 -26.630 7.344 -10.055 1.00 0.00 H new ATOM 0 HG3 GLN A 680 -26.729 7.830 -8.374 1.00 0.00 H new ATOM 0 HE21 GLN A 680 -24.757 8.117 -10.818 1.00 0.00 H new ATOM 0 HE22 GLN A 680 -23.180 7.902 -10.051 1.00 0.00 H new ATOM 605 N SER A 681 -29.261 4.413 -6.485 1.00 0.00 N ATOM 606 CA SER A 681 -30.102 3.251 -6.232 1.00 0.00 C ATOM 607 C SER A 681 -30.750 2.755 -7.523 1.00 0.00 C ATOM 608 O SER A 681 -31.057 1.570 -7.661 1.00 0.00 O ATOM 609 CB SER A 681 -31.175 3.610 -5.202 1.00 0.00 C ATOM 610 OG SER A 681 -30.690 4.582 -4.284 1.00 0.00 O ATOM 0 H SER A 681 -29.671 5.299 -6.191 1.00 0.00 H new ATOM 0 HA SER A 681 -29.479 2.447 -5.839 1.00 0.00 H new ATOM 0 HB2 SER A 681 -32.060 3.993 -5.711 1.00 0.00 H new ATOM 0 HB3 SER A 681 -31.481 2.714 -4.662 1.00 0.00 H new ATOM 0 HG SER A 681 -31.392 4.798 -3.635 1.00 0.00 H new ATOM 616 N LYS A 682 -30.955 3.667 -8.467 1.00 0.00 N ATOM 617 CA LYS A 682 -31.551 3.318 -9.751 1.00 0.00 C ATOM 618 C LYS A 682 -30.498 2.727 -10.680 1.00 0.00 C ATOM 619 O LYS A 682 -30.822 1.973 -11.600 1.00 0.00 O ATOM 620 CB LYS A 682 -32.183 4.551 -10.399 1.00 0.00 C ATOM 621 CG LYS A 682 -33.463 4.258 -11.164 1.00 0.00 C ATOM 622 CD LYS A 682 -34.080 5.530 -11.719 1.00 0.00 C ATOM 623 CE LYS A 682 -35.347 5.237 -12.504 1.00 0.00 C ATOM 624 NZ LYS A 682 -36.575 5.608 -11.751 1.00 0.00 N ATOM 0 H LYS A 682 -30.717 4.654 -8.367 1.00 0.00 H new ATOM 0 HA LYS A 682 -32.328 2.574 -9.578 1.00 0.00 H new ATOM 0 HB2 LYS A 682 -32.395 5.288 -9.624 1.00 0.00 H new ATOM 0 HB3 LYS A 682 -31.460 5.002 -11.079 1.00 0.00 H new ATOM 0 HG2 LYS A 682 -33.251 3.568 -11.981 1.00 0.00 H new ATOM 0 HG3 LYS A 682 -34.177 3.763 -10.506 1.00 0.00 H new ATOM 0 HD2 LYS A 682 -34.308 6.213 -10.900 1.00 0.00 H new ATOM 0 HD3 LYS A 682 -33.360 6.034 -12.363 1.00 0.00 H new ATOM 0 HE2 LYS A 682 -35.322 5.783 -13.447 1.00 0.00 H new ATOM 0 HE3 LYS A 682 -35.382 4.176 -12.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 682 -37.414 5.390 -12.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 682 -36.614 5.068 -10.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 682 -36.557 6.626 -11.537 1.00 0.00 H new ATOM 638 N LEU A 683 -29.237 3.076 -10.415 1.00 0.00 N ATOM 639 CA LEU A 683 -28.094 2.645 -11.222 1.00 0.00 C ATOM 640 C LEU A 683 -28.142 3.257 -12.624 1.00 0.00 C ATOM 641 O LEU A 683 -27.490 4.270 -12.884 1.00 0.00 O ATOM 642 CB LEU A 683 -28.015 1.112 -11.306 1.00 0.00 C ATOM 643 CG LEU A 683 -26.655 0.507 -10.944 1.00 0.00 C ATOM 644 CD1 LEU A 683 -25.625 0.824 -12.021 1.00 0.00 C ATOM 645 CD2 LEU A 683 -26.183 1.006 -9.585 1.00 0.00 C ATOM 0 H LEU A 683 -28.979 3.671 -9.628 1.00 0.00 H new ATOM 0 HA LEU A 683 -27.193 3.004 -10.725 1.00 0.00 H new ATOM 0 HB2 LEU A 683 -28.771 0.689 -10.644 1.00 0.00 H new ATOM 0 HB3 LEU A 683 -28.272 0.806 -12.320 1.00 0.00 H new ATOM 0 HG LEU A 683 -26.769 -0.575 -10.885 1.00 0.00 H new ATOM 0 HD11 LEU A 683 -24.665 0.386 -11.747 1.00 0.00 H new ATOM 0 HD12 LEU A 683 -25.955 0.408 -12.973 1.00 0.00 H new ATOM 0 HD13 LEU A 683 -25.517 1.905 -12.115 1.00 0.00 H new ATOM 0 HD21 LEU A 683 -25.215 0.562 -9.350 1.00 0.00 H new ATOM 0 HD22 LEU A 683 -26.088 2.092 -9.609 1.00 0.00 H new ATOM 0 HD23 LEU A 683 -26.907 0.722 -8.821 1.00 0.00 H new ATOM 657 N GLY A 684 -28.912 2.652 -13.516 1.00 0.00 N ATOM 658 CA GLY A 684 -29.010 3.150 -14.874 1.00 0.00 C ATOM 659 C GLY A 684 -30.444 3.431 -15.267 1.00 0.00 C ATOM 660 O GLY A 684 -31.356 3.271 -14.450 1.00 0.00 O ATOM 0 H GLY A 684 -29.473 1.822 -13.324 1.00 0.00 H new ATOM 0 HA2 GLY A 684 -28.421 4.062 -14.970 1.00 0.00 H new ATOM 0 HA3 GLY A 684 -28.581 2.420 -15.561 1.00 0.00 H new ATOM 664 N GLY A 685 -30.651 3.843 -16.510 1.00 0.00 N ATOM 665 CA GLY A 685 -31.991 4.121 -16.983 1.00 0.00 C ATOM 666 C GLY A 685 -32.833 2.865 -17.065 1.00 0.00 C ATOM 667 O GLY A 685 -32.408 1.863 -17.643 1.00 0.00 O ATOM 0 H GLY A 685 -29.914 3.990 -17.199 1.00 0.00 H new ATOM 0 HA2 GLY A 685 -32.471 4.837 -16.315 1.00 0.00 H new ATOM 0 HA3 GLY A 685 -31.939 4.588 -17.966 1.00 0.00 H new ATOM 671 N GLY A 901 -34.025 2.921 -16.488 1.00 0.00 N ATOM 672 CA GLY A 901 -34.894 1.764 -16.456 1.00 0.00 C ATOM 673 C GLY A 901 -35.557 1.500 -17.790 1.00 0.00 C ATOM 674 O GLY A 901 -36.718 1.855 -17.993 1.00 0.00 O ATOM 0 H GLY A 901 -34.407 3.753 -16.039 1.00 0.00 H new ATOM 0 HA2 GLY A 901 -34.316 0.888 -16.161 1.00 0.00 H new ATOM 0 HA3 GLY A 901 -35.661 1.911 -15.695 1.00 0.00 H new ATOM 678 N GLY A 902 -34.811 0.897 -18.705 1.00 0.00 N ATOM 679 CA GLY A 902 -35.356 0.556 -20.003 1.00 0.00 C ATOM 680 C GLY A 902 -36.304 -0.619 -19.929 1.00 0.00 C ATOM 681 O GLY A 902 -37.223 -0.741 -20.739 1.00 0.00 O ATOM 0 H GLY A 902 -33.834 0.637 -18.570 1.00 0.00 H new ATOM 0 HA2 GLY A 902 -35.880 1.419 -20.414 1.00 0.00 H new ATOM 0 HA3 GLY A 902 -34.541 0.322 -20.688 1.00 0.00 H new ATOM 685 N SER A 903 -36.074 -1.489 -18.960 1.00 0.00 N ATOM 686 CA SER A 903 -36.927 -2.650 -18.756 1.00 0.00 C ATOM 687 C SER A 903 -37.396 -2.727 -17.307 1.00 0.00 C ATOM 688 O SER A 903 -38.562 -3.015 -17.033 1.00 0.00 O ATOM 689 CB SER A 903 -36.171 -3.923 -19.139 1.00 0.00 C ATOM 690 OG SER A 903 -34.872 -3.609 -19.617 1.00 0.00 O ATOM 0 H SER A 903 -35.301 -1.414 -18.299 1.00 0.00 H new ATOM 0 HA SER A 903 -37.806 -2.553 -19.393 1.00 0.00 H new ATOM 0 HB2 SER A 903 -36.096 -4.582 -18.274 1.00 0.00 H new ATOM 0 HB3 SER A 903 -36.725 -4.465 -19.906 1.00 0.00 H new ATOM 0 HG SER A 903 -34.403 -4.436 -19.856 1.00 0.00 H new ATOM 696 N GLY A 904 -36.481 -2.465 -16.381 1.00 0.00 N ATOM 697 CA GLY A 904 -36.813 -2.504 -14.974 1.00 0.00 C ATOM 698 C GLY A 904 -35.863 -1.667 -14.142 1.00 0.00 C ATOM 699 O GLY A 904 -35.506 -0.556 -14.532 1.00 0.00 O ATOM 0 H GLY A 904 -35.511 -2.225 -16.584 1.00 0.00 H new ATOM 0 HA2 GLY A 904 -37.832 -2.144 -14.832 1.00 0.00 H new ATOM 0 HA3 GLY A 904 -36.788 -3.536 -14.624 1.00 0.00 H new ATOM 703 N GLY A 905 -35.453 -2.194 -13.000 1.00 0.00 N ATOM 704 CA GLY A 905 -34.522 -1.487 -12.144 1.00 0.00 C ATOM 705 C GLY A 905 -34.477 -2.081 -10.752 1.00 0.00 C ATOM 706 O GLY A 905 -35.271 -2.965 -10.423 1.00 0.00 O ATOM 0 H GLY A 905 -35.750 -3.104 -12.648 1.00 0.00 H new ATOM 0 HA2 GLY A 905 -33.526 -1.519 -12.585 1.00 0.00 H new ATOM 0 HA3 GLY A 905 -34.810 -0.437 -12.082 1.00 0.00 H new ATOM 710 N HIS A 906 -33.555 -1.605 -9.930 1.00 0.00 N ATOM 711 CA HIS A 906 -33.433 -2.101 -8.568 1.00 0.00 C ATOM 712 C HIS A 906 -34.164 -1.184 -7.598 1.00 0.00 C ATOM 713 O HIS A 906 -34.192 0.035 -7.779 1.00 0.00 O ATOM 714 CB HIS A 906 -31.965 -2.241 -8.166 1.00 0.00 C ATOM 715 CG HIS A 906 -31.522 -3.667 -8.061 1.00 0.00 C ATOM 716 ND1 HIS A 906 -31.528 -4.393 -6.889 1.00 0.00 N ATOM 717 CD2 HIS A 906 -31.075 -4.512 -9.022 1.00 0.00 C ATOM 718 CE1 HIS A 906 -31.100 -5.629 -7.169 1.00 0.00 C ATOM 719 NE2 HIS A 906 -30.810 -5.755 -8.452 1.00 0.00 N ATOM 0 H HIS A 906 -32.883 -0.879 -10.180 1.00 0.00 H new ATOM 0 HA HIS A 906 -33.892 -3.089 -8.526 1.00 0.00 H new ATOM 0 HB2 HIS A 906 -31.343 -1.726 -8.898 1.00 0.00 H new ATOM 0 HB3 HIS A 906 -31.807 -1.746 -7.208 1.00 0.00 H new ATOM 0 HD1 HIS A 906 -31.809 -4.049 -5.971 1.00 0.00 H new ATOM 0 HD2 HIS A 906 -30.945 -4.261 -10.064 1.00 0.00 H new ATOM 0 HE1 HIS A 906 -31.004 -6.421 -6.441 1.00 0.00 H new ATOM 727 N MET A 907 -34.760 -1.775 -6.575 1.00 0.00 N ATOM 728 CA MET A 907 -35.545 -1.020 -5.609 1.00 0.00 C ATOM 729 C MET A 907 -34.708 -0.673 -4.382 1.00 0.00 C ATOM 730 O MET A 907 -34.758 -1.370 -3.367 1.00 0.00 O ATOM 731 CB MET A 907 -36.788 -1.814 -5.197 1.00 0.00 C ATOM 732 CG MET A 907 -38.068 -1.303 -5.835 1.00 0.00 C ATOM 733 SD MET A 907 -39.309 -0.826 -4.617 1.00 0.00 S ATOM 734 CE MET A 907 -40.684 -1.858 -5.118 1.00 0.00 C ATOM 0 H MET A 907 -34.716 -2.777 -6.391 1.00 0.00 H new ATOM 0 HA MET A 907 -35.862 -0.090 -6.080 1.00 0.00 H new ATOM 0 HB2 MET A 907 -36.648 -2.860 -5.468 1.00 0.00 H new ATOM 0 HB3 MET A 907 -36.891 -1.777 -4.113 1.00 0.00 H new ATOM 0 HG2 MET A 907 -37.837 -0.446 -6.467 1.00 0.00 H new ATOM 0 HG3 MET A 907 -38.480 -2.076 -6.484 1.00 0.00 H new ATOM 0 HE1 MET A 907 -41.533 -1.678 -4.459 1.00 0.00 H new ATOM 0 HE2 MET A 907 -40.964 -1.618 -6.144 1.00 0.00 H new ATOM 0 HE3 MET A 907 -40.393 -2.907 -5.057 1.00 0.00 H new ATOM 744 N GLY A 908 -33.920 0.392 -4.493 1.00 0.00 N ATOM 745 CA GLY A 908 -33.129 0.858 -3.370 1.00 0.00 C ATOM 746 C GLY A 908 -31.817 0.113 -3.243 1.00 0.00 C ATOM 747 O GLY A 908 -30.767 0.623 -3.632 1.00 0.00 O ATOM 0 H GLY A 908 -33.815 0.942 -5.345 1.00 0.00 H new ATOM 0 HA2 GLY A 908 -32.930 1.923 -3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 908 -33.702 0.739 -2.451 1.00 0.00 H new ATOM 751 N SER A 909 -31.876 -1.092 -2.703 1.00 0.00 N ATOM 752 CA SER A 909 -30.688 -1.906 -2.521 1.00 0.00 C ATOM 753 C SER A 909 -30.369 -2.673 -3.800 1.00 0.00 C ATOM 754 O SER A 909 -31.265 -3.228 -4.437 1.00 0.00 O ATOM 755 CB SER A 909 -30.900 -2.875 -1.358 1.00 0.00 C ATOM 756 OG SER A 909 -32.086 -2.554 -0.647 1.00 0.00 O ATOM 0 H SER A 909 -32.739 -1.530 -2.382 1.00 0.00 H new ATOM 0 HA SER A 909 -29.844 -1.256 -2.292 1.00 0.00 H new ATOM 0 HB2 SER A 909 -30.961 -3.896 -1.735 1.00 0.00 H new ATOM 0 HB3 SER A 909 -30.044 -2.835 -0.684 1.00 0.00 H new ATOM 0 HG SER A 909 -32.205 -3.186 0.092 1.00 0.00 H new ATOM 762 N GLY A 910 -29.097 -2.686 -4.176 1.00 0.00 N ATOM 763 CA GLY A 910 -28.683 -3.377 -5.383 1.00 0.00 C ATOM 764 C GLY A 910 -27.509 -4.304 -5.144 1.00 0.00 C ATOM 765 O GLY A 910 -26.529 -4.283 -5.890 1.00 0.00 O ATOM 0 H GLY A 910 -28.342 -2.229 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 910 -29.522 -3.952 -5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 910 -28.415 -2.644 -6.144 1.00 0.00 H new ATOM 769 N GLY A 911 -27.603 -5.114 -4.101 1.00 0.00 N ATOM 770 CA GLY A 911 -26.538 -6.039 -3.779 1.00 0.00 C ATOM 771 C GLY A 911 -26.240 -6.058 -2.297 1.00 0.00 C ATOM 772 O GLY A 911 -26.030 -5.010 -1.688 1.00 0.00 O ATOM 0 H GLY A 911 -28.403 -5.147 -3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 911 -26.815 -7.041 -4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 911 -25.638 -5.762 -4.327 1.00 0.00 H new ATOM 776 N LEU A 18 -26.243 -7.244 -1.705 1.00 0.00 N ATOM 777 CA LEU A 18 -25.970 -7.383 -0.279 1.00 0.00 C ATOM 778 C LEU A 18 -24.710 -8.208 -0.039 1.00 0.00 C ATOM 779 O LEU A 18 -24.222 -8.303 1.086 1.00 0.00 O ATOM 780 CB LEU A 18 -27.160 -8.031 0.432 1.00 0.00 C ATOM 781 CG LEU A 18 -28.110 -7.055 1.129 1.00 0.00 C ATOM 782 CD1 LEU A 18 -29.357 -7.776 1.614 1.00 0.00 C ATOM 783 CD2 LEU A 18 -27.408 -6.368 2.289 1.00 0.00 C ATOM 0 H LEU A 18 -26.431 -8.123 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 18 -25.811 -6.385 0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -27.728 -8.609 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -26.781 -8.736 1.172 1.00 0.00 H new ATOM 0 HG LEU A 18 -28.412 -6.295 0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -30.020 -7.065 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -29.872 -8.224 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -29.074 -8.557 2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -28.098 -5.677 2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -27.078 -7.117 3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -26.544 -5.817 1.917 1.00 0.00 H new ATOM 795 N SER A 19 -24.191 -8.813 -1.094 1.00 0.00 N ATOM 796 CA SER A 19 -22.982 -9.611 -0.989 1.00 0.00 C ATOM 797 C SER A 19 -21.752 -8.744 -1.214 1.00 0.00 C ATOM 798 O SER A 19 -20.718 -8.938 -0.568 1.00 0.00 O ATOM 799 CB SER A 19 -23.025 -10.746 -2.009 1.00 0.00 C ATOM 800 OG SER A 19 -24.151 -10.611 -2.865 1.00 0.00 O ATOM 0 H SER A 19 -24.588 -8.767 -2.032 1.00 0.00 H new ATOM 0 HA SER A 19 -22.923 -10.035 0.013 1.00 0.00 H new ATOM 0 HB2 SER A 19 -22.110 -10.744 -2.601 1.00 0.00 H new ATOM 0 HB3 SER A 19 -23.068 -11.705 -1.492 1.00 0.00 H new ATOM 0 HG SER A 19 -24.160 -11.347 -3.512 1.00 0.00 H new ATOM 806 N TRP A 20 -21.891 -7.777 -2.124 1.00 0.00 N ATOM 807 CA TRP A 20 -20.811 -6.855 -2.476 1.00 0.00 C ATOM 808 C TRP A 20 -19.585 -7.622 -2.961 1.00 0.00 C ATOM 809 O TRP A 20 -19.713 -8.683 -3.571 1.00 0.00 O ATOM 810 CB TRP A 20 -20.451 -5.955 -1.286 1.00 0.00 C ATOM 811 CG TRP A 20 -21.644 -5.462 -0.521 1.00 0.00 C ATOM 812 CD1 TRP A 20 -22.788 -4.927 -1.037 1.00 0.00 C ATOM 813 CD2 TRP A 20 -21.802 -5.449 0.900 1.00 0.00 C ATOM 814 NE1 TRP A 20 -23.654 -4.599 -0.024 1.00 0.00 N ATOM 815 CE2 TRP A 20 -23.068 -4.901 1.177 1.00 0.00 C ATOM 816 CE3 TRP A 20 -20.995 -5.850 1.964 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -23.545 -4.745 2.478 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -21.467 -5.693 3.253 1.00 0.00 C ATOM 819 CH2 TRP A 20 -22.731 -5.144 3.500 1.00 0.00 C ATOM 0 H TRP A 20 -22.757 -7.612 -2.637 1.00 0.00 H new ATOM 0 HA TRP A 20 -21.160 -6.218 -3.289 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -19.799 -6.506 -0.609 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -19.883 -5.098 -1.648 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -22.984 -4.783 -2.089 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -24.583 -4.196 -0.146 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -20.019 -6.276 1.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -24.521 -4.325 2.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -20.850 -5.999 4.085 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -23.070 -5.034 4.520 1.00 0.00 H new ATOM 830 N LYS A 21 -18.405 -7.084 -2.697 1.00 0.00 N ATOM 831 CA LYS A 21 -17.170 -7.740 -3.085 1.00 0.00 C ATOM 832 C LYS A 21 -16.559 -8.471 -1.896 1.00 0.00 C ATOM 833 O LYS A 21 -16.447 -7.911 -0.806 1.00 0.00 O ATOM 834 CB LYS A 21 -16.177 -6.718 -3.641 1.00 0.00 C ATOM 835 CG LYS A 21 -16.165 -6.649 -5.157 1.00 0.00 C ATOM 836 CD LYS A 21 -17.362 -5.876 -5.690 1.00 0.00 C ATOM 837 CE LYS A 21 -16.929 -4.683 -6.528 1.00 0.00 C ATOM 838 NZ LYS A 21 -17.922 -4.357 -7.589 1.00 0.00 N ATOM 0 H LYS A 21 -18.278 -6.194 -2.215 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.397 -8.469 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.420 -5.733 -3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.176 -6.967 -3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.244 -6.173 -5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.170 -7.658 -5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.985 -6.538 -6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.975 -5.533 -4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.792 -3.816 -5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.963 -4.894 -6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.589 -3.538 -8.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.035 -5.174 -8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.837 -4.130 -7.150 1.00 0.00 H new ATOM 852 N ARG A 22 -16.184 -9.724 -2.109 1.00 0.00 N ATOM 853 CA ARG A 22 -15.565 -10.531 -1.064 1.00 0.00 C ATOM 854 C ARG A 22 -14.157 -10.015 -0.759 1.00 0.00 C ATOM 855 O ARG A 22 -13.344 -9.834 -1.669 1.00 0.00 O ATOM 856 CB ARG A 22 -15.528 -12.001 -1.500 1.00 0.00 C ATOM 857 CG ARG A 22 -14.389 -12.809 -0.902 1.00 0.00 C ATOM 858 CD ARG A 22 -14.737 -13.344 0.477 1.00 0.00 C ATOM 859 NE ARG A 22 -13.537 -13.689 1.232 1.00 0.00 N ATOM 860 CZ ARG A 22 -13.309 -14.887 1.765 1.00 0.00 C ATOM 861 NH1 ARG A 22 -14.248 -15.828 1.730 1.00 0.00 N ATOM 862 NH2 ARG A 22 -12.150 -15.139 2.360 1.00 0.00 N ATOM 0 H ARG A 22 -16.298 -10.207 -3.000 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.157 -10.454 -0.152 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.472 -12.471 -1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -15.454 -12.042 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.147 -13.641 -1.564 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.497 -12.185 -0.835 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.311 -12.597 1.025 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.372 -14.224 0.378 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.828 -12.967 1.359 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.149 -15.634 1.293 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.067 -16.744 2.140 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.434 -14.414 2.409 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.975 -16.057 2.768 1.00 0.00 H new ATOM 876 N CYS A 23 -13.878 -9.783 0.520 1.00 0.00 N ATOM 877 CA CYS A 23 -12.604 -9.222 0.933 1.00 0.00 C ATOM 878 C CYS A 23 -11.586 -10.333 1.217 1.00 0.00 C ATOM 879 O CYS A 23 -11.957 -11.467 1.541 1.00 0.00 O ATOM 880 CB CYS A 23 -12.824 -8.290 2.136 1.00 0.00 C ATOM 881 SG CYS A 23 -12.297 -8.928 3.758 1.00 0.00 S ATOM 0 H CYS A 23 -14.522 -9.977 1.287 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.182 -8.625 0.125 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -12.294 -7.356 1.947 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.885 -8.048 2.192 1.00 0.00 H new ATOM 886 N ALA A 24 -10.306 -10.005 1.074 1.00 0.00 N ATOM 887 CA ALA A 24 -9.249 -11.011 1.094 1.00 0.00 C ATOM 888 C ALA A 24 -8.731 -11.304 2.501 1.00 0.00 C ATOM 889 O ALA A 24 -8.837 -12.437 2.981 1.00 0.00 O ATOM 890 CB ALA A 24 -8.101 -10.577 0.194 1.00 0.00 C ATOM 0 H ALA A 24 -9.975 -9.049 0.943 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.686 -11.937 0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.316 -11.333 0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.464 -10.458 -0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.699 -9.628 0.549 1.00 0.00 H new ATOM 896 N GLY A 25 -8.175 -10.287 3.154 1.00 0.00 N ATOM 897 CA GLY A 25 -7.503 -10.478 4.431 1.00 0.00 C ATOM 898 C GLY A 25 -8.431 -10.963 5.527 1.00 0.00 C ATOM 899 O GLY A 25 -8.365 -12.126 5.925 1.00 0.00 O ATOM 0 H GLY A 25 -8.178 -9.324 2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.694 -11.197 4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.048 -9.537 4.739 1.00 0.00 H new ATOM 903 N CYS A 26 -9.285 -10.070 6.019 1.00 0.00 N ATOM 904 CA CYS A 26 -10.264 -10.420 7.039 1.00 0.00 C ATOM 905 C CYS A 26 -11.079 -11.641 6.616 1.00 0.00 C ATOM 906 O CYS A 26 -11.328 -12.545 7.420 1.00 0.00 O ATOM 907 CB CYS A 26 -11.185 -9.228 7.298 1.00 0.00 C ATOM 908 SG CYS A 26 -10.469 -7.624 6.811 1.00 0.00 S ATOM 0 H CYS A 26 -9.317 -9.094 5.725 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.736 -10.672 7.959 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.119 -9.378 6.756 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.434 -9.197 8.359 1.00 0.00 H new ATOM 913 N GLY A 27 -11.484 -11.660 5.355 1.00 0.00 N ATOM 914 CA GLY A 27 -12.191 -12.801 4.823 1.00 0.00 C ATOM 915 C GLY A 27 -13.689 -12.611 4.868 1.00 0.00 C ATOM 916 O GLY A 27 -14.430 -13.548 5.178 1.00 0.00 O ATOM 0 H GLY A 27 -11.334 -10.901 4.690 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.878 -12.973 3.793 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.921 -13.691 5.391 1.00 0.00 H new ATOM 920 N GLY A 28 -14.137 -11.404 4.566 1.00 0.00 N ATOM 921 CA GLY A 28 -15.554 -11.120 4.573 1.00 0.00 C ATOM 922 C GLY A 28 -16.000 -10.435 3.303 1.00 0.00 C ATOM 923 O GLY A 28 -15.957 -11.022 2.223 1.00 0.00 O ATOM 0 H GLY A 28 -13.542 -10.614 4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.109 -12.050 4.698 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.793 -10.489 5.429 1.00 0.00 H new ATOM 927 N LYS A 29 -16.415 -9.189 3.428 1.00 0.00 N ATOM 928 CA LYS A 29 -16.869 -8.416 2.285 1.00 0.00 C ATOM 929 C LYS A 29 -16.488 -6.959 2.472 1.00 0.00 C ATOM 930 O LYS A 29 -16.526 -6.438 3.587 1.00 0.00 O ATOM 931 CB LYS A 29 -18.385 -8.553 2.094 1.00 0.00 C ATOM 932 CG LYS A 29 -19.165 -8.673 3.395 1.00 0.00 C ATOM 933 CD LYS A 29 -20.232 -9.751 3.306 1.00 0.00 C ATOM 934 CE LYS A 29 -21.617 -9.188 3.574 1.00 0.00 C ATOM 935 NZ LYS A 29 -22.656 -9.851 2.744 1.00 0.00 N ATOM 0 H LYS A 29 -16.448 -8.687 4.315 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.384 -8.803 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.751 -7.687 1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.586 -9.431 1.480 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -18.480 -8.904 4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -19.631 -7.716 3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -20.209 -10.206 2.316 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -20.014 -10.540 4.025 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -21.861 -9.313 4.629 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -21.619 -8.117 3.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -22.982 -9.194 2.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -22.254 -10.701 2.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -23.460 -10.123 3.346 1.00 0.00 H new ATOM 949 N ILE A 30 -16.104 -6.310 1.387 1.00 0.00 N ATOM 950 CA ILE A 30 -15.723 -4.915 1.440 1.00 0.00 C ATOM 951 C ILE A 30 -16.957 -4.040 1.603 1.00 0.00 C ATOM 952 O ILE A 30 -17.758 -3.893 0.677 1.00 0.00 O ATOM 953 CB ILE A 30 -14.949 -4.495 0.171 1.00 0.00 C ATOM 954 CG1 ILE A 30 -13.652 -5.293 0.056 1.00 0.00 C ATOM 955 CG2 ILE A 30 -14.644 -3.004 0.190 1.00 0.00 C ATOM 956 CD1 ILE A 30 -13.534 -6.083 -1.226 1.00 0.00 C ATOM 0 H ILE A 30 -16.049 -6.730 0.459 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.067 -4.781 2.300 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.576 -4.706 -0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -12.807 -4.608 0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -13.581 -5.977 0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.099 -2.733 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.577 -2.442 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.038 -2.768 1.064 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.587 -6.623 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.358 -6.794 -1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.572 -5.403 -2.077 1.00 0.00 H new ATOM 968 N ALA A 31 -17.106 -3.469 2.787 1.00 0.00 N ATOM 969 CA ALA A 31 -18.227 -2.597 3.075 1.00 0.00 C ATOM 970 C ALA A 31 -17.738 -1.194 3.391 1.00 0.00 C ATOM 971 O ALA A 31 -18.496 -0.350 3.873 1.00 0.00 O ATOM 972 CB ALA A 31 -19.054 -3.151 4.228 1.00 0.00 C ATOM 0 H ALA A 31 -16.460 -3.596 3.566 1.00 0.00 H new ATOM 0 HA ALA A 31 -18.864 -2.549 2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.891 -2.483 4.429 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.433 -4.138 3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -18.430 -3.230 5.118 1.00 0.00 H new ATOM 978 N ASP A 32 -16.462 -0.965 3.119 1.00 0.00 N ATOM 979 CA ASP A 32 -15.847 0.338 3.352 1.00 0.00 C ATOM 980 C ASP A 32 -16.448 1.379 2.414 1.00 0.00 C ATOM 981 O ASP A 32 -17.399 2.075 2.767 1.00 0.00 O ATOM 982 CB ASP A 32 -14.332 0.265 3.136 1.00 0.00 C ATOM 983 CG ASP A 32 -13.605 -0.509 4.219 1.00 0.00 C ATOM 984 OD1 ASP A 32 -14.195 -1.434 4.815 1.00 0.00 O ATOM 985 OD2 ASP A 32 -12.419 -0.219 4.453 1.00 0.00 O ATOM 0 H ASP A 32 -15.828 -1.666 2.735 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.042 0.628 4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.132 -0.201 2.171 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.930 1.277 3.091 1.00 0.00 H new ATOM 990 N ARG A 33 -15.891 1.473 1.211 1.00 0.00 N ATOM 991 CA ARG A 33 -16.410 2.359 0.174 1.00 0.00 C ATOM 992 C ARG A 33 -15.688 2.090 -1.131 1.00 0.00 C ATOM 993 O ARG A 33 -16.244 1.483 -2.043 1.00 0.00 O ATOM 994 CB ARG A 33 -16.256 3.835 0.563 1.00 0.00 C ATOM 995 CG ARG A 33 -17.445 4.696 0.154 1.00 0.00 C ATOM 996 CD ARG A 33 -17.081 5.664 -0.957 1.00 0.00 C ATOM 997 NE ARG A 33 -17.915 5.487 -2.150 1.00 0.00 N ATOM 998 CZ ARG A 33 -18.459 6.496 -2.838 1.00 0.00 C ATOM 999 NH1 ARG A 33 -18.278 7.750 -2.441 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -19.175 6.250 -3.929 1.00 0.00 N ATOM 0 H ARG A 33 -15.069 0.939 0.928 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.475 2.156 0.056 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.119 3.906 1.642 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.353 4.233 0.100 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -18.263 4.055 -0.175 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -17.805 5.253 1.019 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -17.185 6.686 -0.593 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.034 5.527 -1.226 1.00 0.00 H new ATOM 0 HE ARG A 33 -18.091 4.536 -2.475 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -17.722 7.946 -1.608 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -18.695 8.517 -2.969 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -19.311 5.289 -4.244 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -19.589 7.022 -4.452 1.00 0.00 H new ATOM 1014 N PHE A 34 -14.441 2.523 -1.205 1.00 0.00 N ATOM 1015 CA PHE A 34 -13.646 2.334 -2.403 1.00 0.00 C ATOM 1016 C PHE A 34 -12.856 1.042 -2.313 1.00 0.00 C ATOM 1017 O PHE A 34 -12.449 0.620 -1.228 1.00 0.00 O ATOM 1018 CB PHE A 34 -12.711 3.525 -2.624 1.00 0.00 C ATOM 1019 CG PHE A 34 -13.245 4.506 -3.626 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -14.559 4.937 -3.555 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -12.442 4.980 -4.649 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -15.062 5.828 -4.480 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -12.938 5.875 -5.578 1.00 0.00 C ATOM 1024 CZ PHE A 34 -14.251 6.295 -5.496 1.00 0.00 C ATOM 0 H PHE A 34 -13.958 3.008 -0.448 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.319 2.268 -3.258 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -12.549 4.035 -1.674 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.740 3.161 -2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.198 4.571 -2.765 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.417 4.647 -4.722 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.087 6.160 -4.410 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.300 6.245 -6.367 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.643 6.988 -6.226 1.00 0.00 H new ATOM 1034 N LEU A 35 -12.665 0.410 -3.454 1.00 0.00 N ATOM 1035 CA LEU A 35 -11.948 -0.847 -3.522 1.00 0.00 C ATOM 1036 C LEU A 35 -10.520 -0.606 -3.975 1.00 0.00 C ATOM 1037 O LEU A 35 -10.278 0.170 -4.898 1.00 0.00 O ATOM 1038 CB LEU A 35 -12.654 -1.804 -4.481 1.00 0.00 C ATOM 1039 CG LEU A 35 -13.675 -2.732 -3.830 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -15.070 -2.139 -3.906 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -13.642 -4.092 -4.494 1.00 0.00 C ATOM 0 H LEU A 35 -13.000 0.751 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.930 -1.298 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -13.157 -1.218 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.902 -2.412 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.413 -2.848 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.780 -2.819 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -15.087 -1.180 -3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.346 -1.991 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.375 -4.746 -4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.880 -3.986 -5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.647 -4.525 -4.387 1.00 0.00 H new ATOM 1053 N LEU A 36 -9.580 -1.259 -3.319 1.00 0.00 N ATOM 1054 CA LEU A 36 -8.175 -1.087 -3.636 1.00 0.00 C ATOM 1055 C LEU A 36 -7.617 -2.340 -4.302 1.00 0.00 C ATOM 1056 O LEU A 36 -7.888 -3.459 -3.869 1.00 0.00 O ATOM 1057 CB LEU A 36 -7.383 -0.766 -2.367 1.00 0.00 C ATOM 1058 CG LEU A 36 -7.845 0.485 -1.614 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -8.260 0.134 -0.198 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -6.748 1.535 -1.589 1.00 0.00 C ATOM 0 H LEU A 36 -9.765 -1.916 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.078 -0.254 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.444 -1.620 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.333 -0.644 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.707 0.895 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.585 1.036 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.080 -0.583 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.414 -0.304 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.099 2.415 -1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.868 1.130 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.489 1.815 -2.610 1.00 0.00 H new ATOM 1072 N TYR A 37 -6.858 -2.135 -5.368 1.00 0.00 N ATOM 1073 CA TYR A 37 -6.231 -3.224 -6.104 1.00 0.00 C ATOM 1074 C TYR A 37 -4.775 -3.384 -5.693 1.00 0.00 C ATOM 1075 O TYR A 37 -3.955 -2.501 -5.938 1.00 0.00 O ATOM 1076 CB TYR A 37 -6.289 -2.940 -7.602 1.00 0.00 C ATOM 1077 CG TYR A 37 -7.190 -3.861 -8.389 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -7.404 -5.180 -8.002 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -7.818 -3.405 -9.535 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -8.223 -6.013 -8.741 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -8.637 -4.229 -10.276 1.00 0.00 C ATOM 1082 CZ TYR A 37 -8.836 -5.532 -9.878 1.00 0.00 C ATOM 1083 OH TYR A 37 -9.658 -6.350 -10.623 1.00 0.00 O ATOM 0 H TYR A 37 -6.659 -1.209 -5.748 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.772 -4.142 -5.876 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.625 -1.914 -7.750 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.280 -3.007 -8.009 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.924 -5.558 -7.112 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.663 -2.385 -9.854 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.382 -7.035 -8.429 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.121 -3.854 -11.166 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.008 -5.851 -11.390 1.00 0.00 H new ATOM 1093 N ALA A 38 -4.458 -4.498 -5.057 1.00 0.00 N ATOM 1094 CA ALA A 38 -3.073 -4.820 -4.754 1.00 0.00 C ATOM 1095 C ALA A 38 -2.609 -5.974 -5.634 1.00 0.00 C ATOM 1096 O ALA A 38 -2.416 -5.804 -6.839 1.00 0.00 O ATOM 1097 CB ALA A 38 -2.895 -5.147 -3.278 1.00 0.00 C ATOM 0 H ALA A 38 -5.136 -5.192 -4.741 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.456 -3.947 -4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.849 -5.384 -3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.192 -4.288 -2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.516 -6.004 -3.018 1.00 0.00 H new ATOM 1103 N MET A 39 -2.468 -7.159 -5.053 1.00 0.00 N ATOM 1104 CA MET A 39 -2.067 -8.331 -5.824 1.00 0.00 C ATOM 1105 C MET A 39 -3.287 -8.980 -6.487 1.00 0.00 C ATOM 1106 O MET A 39 -3.585 -10.154 -6.267 1.00 0.00 O ATOM 1107 CB MET A 39 -1.313 -9.339 -4.947 1.00 0.00 C ATOM 1108 CG MET A 39 -2.032 -9.717 -3.663 1.00 0.00 C ATOM 1109 SD MET A 39 -0.915 -10.410 -2.431 1.00 0.00 S ATOM 1110 CE MET A 39 -0.238 -8.916 -1.715 1.00 0.00 C ATOM 0 H MET A 39 -2.623 -7.334 -4.060 1.00 0.00 H new ATOM 0 HA MET A 39 -1.385 -8.005 -6.609 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.133 -10.244 -5.528 1.00 0.00 H new ATOM 0 HB3 MET A 39 -0.338 -8.923 -4.694 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.522 -8.835 -3.251 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.815 -10.441 -3.888 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.789 -9.098 -1.397 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.252 -8.118 -2.457 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.838 -8.621 -0.854 1.00 0.00 H new ATOM 1120 N ASP A 40 -4.001 -8.168 -7.271 1.00 0.00 N ATOM 1121 CA ASP A 40 -5.152 -8.606 -8.077 1.00 0.00 C ATOM 1122 C ASP A 40 -6.387 -8.914 -7.232 1.00 0.00 C ATOM 1123 O ASP A 40 -7.475 -9.110 -7.771 1.00 0.00 O ATOM 1124 CB ASP A 40 -4.800 -9.819 -8.941 1.00 0.00 C ATOM 1125 CG ASP A 40 -5.367 -9.709 -10.342 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -4.916 -8.824 -11.097 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -6.256 -10.510 -10.695 1.00 0.00 O ATOM 0 H ASP A 40 -3.796 -7.174 -7.368 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.398 -7.764 -8.725 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.716 -9.921 -8.997 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.181 -10.723 -8.467 1.00 0.00 H new ATOM 1132 N SER A 41 -6.232 -8.961 -5.919 1.00 0.00 N ATOM 1133 CA SER A 41 -7.360 -9.213 -5.038 1.00 0.00 C ATOM 1134 C SER A 41 -8.100 -7.910 -4.738 1.00 0.00 C ATOM 1135 O SER A 41 -7.610 -6.825 -5.066 1.00 0.00 O ATOM 1136 CB SER A 41 -6.855 -9.863 -3.752 1.00 0.00 C ATOM 1137 OG SER A 41 -5.466 -10.147 -3.850 1.00 0.00 O ATOM 0 H SER A 41 -5.340 -8.829 -5.442 1.00 0.00 H new ATOM 0 HA SER A 41 -8.062 -9.890 -5.525 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.038 -9.200 -2.906 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.408 -10.783 -3.561 1.00 0.00 H new ATOM 0 HG SER A 41 -4.981 -9.648 -3.160 1.00 0.00 H new ATOM 1143 N TYR A 42 -9.273 -8.017 -4.129 1.00 0.00 N ATOM 1144 CA TYR A 42 -10.063 -6.845 -3.773 1.00 0.00 C ATOM 1145 C TYR A 42 -9.848 -6.491 -2.308 1.00 0.00 C ATOM 1146 O TYR A 42 -10.133 -7.298 -1.420 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.549 -7.101 -4.032 1.00 0.00 C ATOM 1148 CG TYR A 42 -11.931 -7.076 -5.492 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -11.443 -6.095 -6.346 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -12.794 -8.029 -6.014 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -11.801 -6.070 -7.679 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -13.156 -8.008 -7.345 1.00 0.00 C ATOM 1153 CZ TYR A 42 -12.659 -7.026 -8.171 1.00 0.00 C ATOM 1154 OH TYR A 42 -13.022 -7.003 -9.496 1.00 0.00 O ATOM 0 H TYR A 42 -9.700 -8.906 -3.870 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.737 -6.010 -4.393 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.819 -8.071 -3.613 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -12.134 -6.350 -3.501 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.773 -5.340 -5.961 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -13.189 -8.799 -5.368 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.410 -5.304 -8.332 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -13.826 -8.759 -7.737 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.632 -7.747 -9.681 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.338 -5.295 -2.055 1.00 0.00 N ATOM 1165 CA TRP A 43 -9.036 -4.877 -0.696 1.00 0.00 C ATOM 1166 C TRP A 43 -9.800 -3.616 -0.320 1.00 0.00 C ATOM 1167 O TRP A 43 -10.211 -2.838 -1.179 1.00 0.00 O ATOM 1168 CB TRP A 43 -7.533 -4.633 -0.519 1.00 0.00 C ATOM 1169 CG TRP A 43 -6.669 -5.669 -1.168 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.386 -5.780 -2.495 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -5.966 -6.736 -0.519 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -5.572 -6.858 -2.718 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.298 -7.460 -1.522 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -5.843 -7.156 0.807 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -4.519 -8.573 -1.245 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -5.064 -8.266 1.082 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -4.413 -8.962 0.056 1.00 0.00 C ATOM 0 H TRP A 43 -9.126 -4.600 -2.770 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.348 -5.686 -0.035 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.283 -3.655 -0.931 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.304 -4.598 0.546 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.751 -5.113 -3.262 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.226 -7.162 -3.628 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.346 -6.625 1.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.014 -9.112 -2.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.956 -8.601 2.103 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.814 -9.826 0.302 1.00 0.00 H new ATOM 1188 N HIS A 44 -9.986 -3.441 0.975 1.00 0.00 N ATOM 1189 CA HIS A 44 -10.557 -2.224 1.541 1.00 0.00 C ATOM 1190 C HIS A 44 -9.557 -1.671 2.553 1.00 0.00 C ATOM 1191 O HIS A 44 -8.447 -2.192 2.648 1.00 0.00 O ATOM 1192 CB HIS A 44 -11.932 -2.488 2.201 1.00 0.00 C ATOM 1193 CG HIS A 44 -11.947 -3.633 3.174 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -12.562 -3.610 4.417 1.00 0.00 N ATOM 1195 CD2 HIS A 44 -11.348 -4.835 3.079 1.00 0.00 C ATOM 1196 CE1 HIS A 44 -12.297 -4.787 5.024 1.00 0.00 C ATOM 1197 NE2 HIS A 44 -11.562 -5.545 4.240 1.00 0.00 N ATOM 0 H HIS A 44 -9.744 -4.144 1.674 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.736 -1.498 0.748 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -12.252 -1.584 2.719 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.665 -2.683 1.418 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -13.114 -2.844 4.802 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.787 -5.188 2.226 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.639 -5.065 6.010 1.00 0.00 H new ATOM 1205 N SER A 45 -9.931 -0.657 3.317 1.00 0.00 N ATOM 1206 CA SER A 45 -8.992 -0.030 4.246 1.00 0.00 C ATOM 1207 C SER A 45 -8.533 -1.016 5.326 1.00 0.00 C ATOM 1208 O SER A 45 -7.384 -0.989 5.754 1.00 0.00 O ATOM 1209 CB SER A 45 -9.627 1.207 4.886 1.00 0.00 C ATOM 1210 OG SER A 45 -10.727 1.666 4.116 1.00 0.00 O ATOM 0 H SER A 45 -10.867 -0.251 3.316 1.00 0.00 H new ATOM 0 HA SER A 45 -8.112 0.277 3.680 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.959 0.969 5.896 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.883 1.999 4.973 1.00 0.00 H new ATOM 0 HG SER A 45 -11.548 1.231 4.427 1.00 0.00 H new ATOM 1216 N ARG A 46 -9.429 -1.900 5.747 1.00 0.00 N ATOM 1217 CA ARG A 46 -9.103 -2.875 6.787 1.00 0.00 C ATOM 1218 C ARG A 46 -8.248 -4.015 6.232 1.00 0.00 C ATOM 1219 O ARG A 46 -7.643 -4.773 6.989 1.00 0.00 O ATOM 1220 CB ARG A 46 -10.380 -3.442 7.404 1.00 0.00 C ATOM 1221 CG ARG A 46 -10.799 -2.747 8.686 1.00 0.00 C ATOM 1222 CD ARG A 46 -10.638 -3.656 9.890 1.00 0.00 C ATOM 1223 NE ARG A 46 -9.723 -3.096 10.883 1.00 0.00 N ATOM 1224 CZ ARG A 46 -9.087 -3.822 11.802 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -9.229 -5.143 11.822 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -8.297 -3.238 12.694 1.00 0.00 N ATOM 0 H ARG A 46 -10.382 -1.964 5.389 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.529 -2.358 7.556 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.189 -3.364 6.678 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.235 -4.503 7.607 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.200 -1.847 8.826 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.838 -2.429 8.606 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.612 -3.824 10.349 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.267 -4.628 9.563 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.562 -2.089 10.872 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.825 -5.602 11.134 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.742 -5.698 12.526 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.173 -2.226 12.680 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.814 -3.801 13.394 1.00 0.00 H new ATOM 1240 N CYS A 47 -8.198 -4.131 4.913 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.448 -5.201 4.274 1.00 0.00 C ATOM 1242 C CYS A 47 -6.098 -4.698 3.765 1.00 0.00 C ATOM 1243 O CYS A 47 -5.050 -5.277 4.075 1.00 0.00 O ATOM 1244 CB CYS A 47 -8.257 -5.797 3.122 1.00 0.00 C ATOM 1245 SG CYS A 47 -8.843 -7.495 3.423 1.00 0.00 S ATOM 0 H CYS A 47 -8.667 -3.498 4.266 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.263 -5.976 5.018 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.117 -5.157 2.927 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.644 -5.790 2.221 1.00 0.00 H new ATOM 1250 N LEU A 48 -6.131 -3.612 2.998 1.00 0.00 N ATOM 1251 CA LEU A 48 -4.933 -3.061 2.386 1.00 0.00 C ATOM 1252 C LEU A 48 -4.104 -2.282 3.400 1.00 0.00 C ATOM 1253 O LEU A 48 -4.044 -1.052 3.378 1.00 0.00 O ATOM 1254 CB LEU A 48 -5.308 -2.170 1.200 1.00 0.00 C ATOM 1255 CG LEU A 48 -4.468 -2.375 -0.066 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -3.376 -1.330 -0.146 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -3.864 -3.774 -0.105 1.00 0.00 C ATOM 0 H LEU A 48 -6.984 -3.095 2.786 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.324 -3.890 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.355 -2.344 0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.222 -1.128 1.508 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.126 -2.267 -0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.787 -1.487 -1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.824 -0.337 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.729 -1.412 0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.274 -3.890 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.223 -3.918 0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.663 -4.516 -0.094 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.496 -3.019 4.307 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.602 -2.461 5.311 1.00 0.00 C ATOM 1271 C LYS A 49 -1.489 -3.457 5.588 1.00 0.00 C ATOM 1272 O LYS A 49 -1.600 -4.621 5.196 1.00 0.00 O ATOM 1273 CB LYS A 49 -3.373 -2.157 6.603 1.00 0.00 C ATOM 1274 CG LYS A 49 -4.428 -3.199 6.953 1.00 0.00 C ATOM 1275 CD LYS A 49 -3.853 -4.313 7.818 1.00 0.00 C ATOM 1276 CE LYS A 49 -4.339 -5.685 7.371 1.00 0.00 C ATOM 1277 NZ LYS A 49 -3.491 -6.254 6.285 1.00 0.00 N ATOM 0 H LYS A 49 -3.607 -4.031 4.372 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.176 -1.528 4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.664 -2.081 7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.855 -1.184 6.506 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.253 -2.719 7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.838 -3.624 6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.764 -4.281 7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.136 -4.148 8.858 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.340 -6.364 8.223 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.369 -5.609 7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.016 -6.232 5.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.622 -5.691 6.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.243 -7.237 6.517 1.00 0.00 H new ATOM 1291 N CYS A 50 -0.430 -3.024 6.257 1.00 0.00 N ATOM 1292 CA CYS A 50 0.602 -3.953 6.683 1.00 0.00 C ATOM 1293 C CYS A 50 0.010 -4.906 7.708 1.00 0.00 C ATOM 1294 O CYS A 50 -0.589 -4.470 8.686 1.00 0.00 O ATOM 1295 CB CYS A 50 1.802 -3.220 7.294 1.00 0.00 C ATOM 1296 SG CYS A 50 3.180 -4.328 7.762 1.00 0.00 S ATOM 0 H CYS A 50 -0.265 -2.050 6.513 1.00 0.00 H new ATOM 0 HA CYS A 50 0.957 -4.502 5.811 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.167 -2.482 6.580 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.471 -2.673 8.177 1.00 0.00 H new ATOM 1301 N SER A 51 0.166 -6.197 7.491 1.00 0.00 N ATOM 1302 CA SER A 51 -0.343 -7.177 8.441 1.00 0.00 C ATOM 1303 C SER A 51 0.592 -7.287 9.641 1.00 0.00 C ATOM 1304 O SER A 51 0.322 -8.016 10.596 1.00 0.00 O ATOM 1305 CB SER A 51 -0.523 -8.531 7.757 1.00 0.00 C ATOM 1306 OG SER A 51 -1.145 -8.374 6.489 1.00 0.00 O ATOM 0 H SER A 51 0.635 -6.593 6.676 1.00 0.00 H new ATOM 0 HA SER A 51 -1.317 -6.847 8.802 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.446 -9.014 7.635 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.128 -9.184 8.386 1.00 0.00 H new ATOM 0 HG SER A 51 -1.250 -9.251 6.065 1.00 0.00 H new ATOM 1312 N SER A 52 1.684 -6.539 9.587 1.00 0.00 N ATOM 1313 CA SER A 52 2.655 -6.519 10.664 1.00 0.00 C ATOM 1314 C SER A 52 2.554 -5.216 11.464 1.00 0.00 C ATOM 1315 O SER A 52 2.807 -5.194 12.670 1.00 0.00 O ATOM 1316 CB SER A 52 4.060 -6.702 10.080 1.00 0.00 C ATOM 1317 OG SER A 52 3.991 -7.110 8.718 1.00 0.00 O ATOM 0 H SER A 52 1.919 -5.934 8.800 1.00 0.00 H new ATOM 0 HA SER A 52 2.448 -7.339 11.352 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.615 -5.767 10.157 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.606 -7.446 10.660 1.00 0.00 H new ATOM 0 HG SER A 52 3.856 -6.325 8.148 1.00 0.00 H new ATOM 1323 N CYS A 53 2.164 -4.137 10.794 1.00 0.00 N ATOM 1324 CA CYS A 53 2.038 -2.838 11.447 1.00 0.00 C ATOM 1325 C CYS A 53 0.583 -2.474 11.727 1.00 0.00 C ATOM 1326 O CYS A 53 0.299 -1.660 12.608 1.00 0.00 O ATOM 1327 CB CYS A 53 2.664 -1.751 10.576 1.00 0.00 C ATOM 1328 SG CYS A 53 4.473 -1.854 10.438 1.00 0.00 S ATOM 0 H CYS A 53 1.930 -4.135 9.801 1.00 0.00 H new ATOM 0 HA CYS A 53 2.561 -2.907 12.401 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.231 -1.808 9.577 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.397 -0.776 10.984 1.00 0.00 H new ATOM 1333 N GLN A 54 -0.328 -3.072 10.965 1.00 0.00 N ATOM 1334 CA GLN A 54 -1.742 -2.711 11.009 1.00 0.00 C ATOM 1335 C GLN A 54 -1.916 -1.228 10.697 1.00 0.00 C ATOM 1336 O GLN A 54 -2.837 -0.572 11.187 1.00 0.00 O ATOM 1337 CB GLN A 54 -2.356 -3.056 12.366 1.00 0.00 C ATOM 1338 CG GLN A 54 -2.749 -4.518 12.487 1.00 0.00 C ATOM 1339 CD GLN A 54 -3.877 -4.903 11.547 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -3.725 -5.795 10.712 1.00 0.00 O ATOM 1341 NE2 GLN A 54 -5.013 -4.234 11.673 1.00 0.00 N ATOM 0 H GLN A 54 -0.109 -3.816 10.303 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.268 -3.291 10.251 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.643 -2.811 13.154 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.237 -2.434 12.528 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.880 -5.142 12.279 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.051 -4.725 13.514 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.098 -3.502 12.378 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.803 -4.451 11.065 1.00 0.00 H new ATOM 1350 N ALA A 55 -1.007 -0.709 9.881 1.00 0.00 N ATOM 1351 CA ALA A 55 -1.039 0.685 9.481 1.00 0.00 C ATOM 1352 C ALA A 55 -1.625 0.808 8.087 1.00 0.00 C ATOM 1353 O ALA A 55 -1.332 -0.014 7.217 1.00 0.00 O ATOM 1354 CB ALA A 55 0.358 1.285 9.530 1.00 0.00 C ATOM 0 H ALA A 55 -0.234 -1.241 9.482 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.670 1.238 10.177 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.316 2.331 9.227 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.748 1.217 10.546 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.013 0.737 8.853 1.00 0.00 H new ATOM 1360 N GLN A 56 -2.460 1.821 7.896 1.00 0.00 N ATOM 1361 CA GLN A 56 -3.131 2.053 6.626 1.00 0.00 C ATOM 1362 C GLN A 56 -2.138 2.090 5.470 1.00 0.00 C ATOM 1363 O GLN A 56 -1.242 2.929 5.435 1.00 0.00 O ATOM 1364 CB GLN A 56 -3.906 3.367 6.682 1.00 0.00 C ATOM 1365 CG GLN A 56 -5.348 3.195 7.123 1.00 0.00 C ATOM 1366 CD GLN A 56 -6.016 2.020 6.443 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -5.978 1.895 5.216 1.00 0.00 O ATOM 1368 NE2 GLN A 56 -6.628 1.150 7.230 1.00 0.00 N ATOM 0 H GLN A 56 -2.690 2.504 8.618 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.820 1.226 6.454 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.403 4.049 7.367 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.888 3.834 5.697 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.382 3.055 8.203 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.905 4.106 6.902 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.635 1.293 8.240 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.093 0.337 6.827 1.00 0.00 H new ATOM 1377 N LEU A 57 -2.301 1.169 4.533 1.00 0.00 N ATOM 1378 CA LEU A 57 -1.419 1.097 3.377 1.00 0.00 C ATOM 1379 C LEU A 57 -2.102 1.697 2.155 1.00 0.00 C ATOM 1380 O LEU A 57 -1.442 2.098 1.199 1.00 0.00 O ATOM 1381 CB LEU A 57 -1.024 -0.354 3.098 1.00 0.00 C ATOM 1382 CG LEU A 57 0.456 -0.683 3.300 1.00 0.00 C ATOM 1383 CD1 LEU A 57 0.923 -0.263 4.685 1.00 0.00 C ATOM 1384 CD2 LEU A 57 0.705 -2.166 3.080 1.00 0.00 C ATOM 0 H LEU A 57 -3.035 0.461 4.550 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.517 1.670 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.614 -1.004 3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.295 -0.595 2.070 1.00 0.00 H new ATOM 0 HG LEU A 57 1.032 -0.121 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.979 -0.508 4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.784 0.811 4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.341 -0.791 5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.763 -2.383 3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.113 -2.744 3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.417 -2.436 2.064 1.00 0.00 H new ATOM 1396 N GLY A 58 -3.427 1.759 2.199 1.00 0.00 N ATOM 1397 CA GLY A 58 -4.181 2.349 1.113 1.00 0.00 C ATOM 1398 C GLY A 58 -4.441 3.823 1.333 1.00 0.00 C ATOM 1399 O GLY A 58 -4.825 4.544 0.411 1.00 0.00 O ATOM 0 H GLY A 58 -3.994 1.409 2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.636 2.213 0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.131 1.826 1.007 1.00 0.00 H new ATOM 1403 N ASP A 59 -4.221 4.275 2.558 1.00 0.00 N ATOM 1404 CA ASP A 59 -4.449 5.672 2.909 1.00 0.00 C ATOM 1405 C ASP A 59 -3.141 6.452 2.910 1.00 0.00 C ATOM 1406 O ASP A 59 -3.034 7.517 3.521 1.00 0.00 O ATOM 1407 CB ASP A 59 -5.127 5.777 4.277 1.00 0.00 C ATOM 1408 CG ASP A 59 -5.787 7.124 4.499 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -6.423 7.645 3.555 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -5.674 7.664 5.620 1.00 0.00 O ATOM 0 H ASP A 59 -3.885 3.696 3.327 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.107 6.106 2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.876 4.990 4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.387 5.606 5.059 1.00 0.00 H new ATOM 1415 N ILE A 60 -2.147 5.918 2.222 1.00 0.00 N ATOM 1416 CA ILE A 60 -0.872 6.595 2.079 1.00 0.00 C ATOM 1417 C ILE A 60 -0.450 6.605 0.624 1.00 0.00 C ATOM 1418 O ILE A 60 -0.738 5.669 -0.120 1.00 0.00 O ATOM 1419 CB ILE A 60 0.244 5.946 2.924 1.00 0.00 C ATOM 1420 CG1 ILE A 60 0.094 4.425 2.952 1.00 0.00 C ATOM 1421 CG2 ILE A 60 0.227 6.512 4.333 1.00 0.00 C ATOM 1422 CD1 ILE A 60 1.404 3.696 3.153 1.00 0.00 C ATOM 0 H ILE A 60 -2.200 5.014 1.752 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.014 7.613 2.442 1.00 0.00 H new ATOM 0 HB ILE A 60 1.205 6.179 2.464 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.593 4.150 3.752 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.357 4.095 2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.018 6.047 4.921 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.388 7.589 4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.738 6.306 4.796 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.224 2.621 3.163 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.086 3.943 2.339 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.847 3.999 4.102 1.00 0.00 H new ATOM 1434 N GLY A 61 0.206 7.677 0.221 1.00 0.00 N ATOM 1435 CA GLY A 61 0.714 7.777 -1.133 1.00 0.00 C ATOM 1436 C GLY A 61 1.960 6.938 -1.325 1.00 0.00 C ATOM 1437 O GLY A 61 2.411 6.718 -2.450 1.00 0.00 O ATOM 0 H GLY A 61 0.399 8.487 0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.055 7.454 -1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.937 8.819 -1.362 1.00 0.00 H new ATOM 1441 N THR A 62 2.525 6.492 -0.211 1.00 0.00 N ATOM 1442 CA THR A 62 3.672 5.607 -0.221 1.00 0.00 C ATOM 1443 C THR A 62 3.271 4.228 -0.732 1.00 0.00 C ATOM 1444 O THR A 62 2.377 3.589 -0.180 1.00 0.00 O ATOM 1445 CB THR A 62 4.256 5.486 1.195 1.00 0.00 C ATOM 1446 OG1 THR A 62 3.680 6.502 2.033 1.00 0.00 O ATOM 1447 CG2 THR A 62 5.772 5.630 1.174 1.00 0.00 C ATOM 0 H THR A 62 2.197 6.736 0.724 1.00 0.00 H new ATOM 0 HA THR A 62 4.428 6.025 -0.886 1.00 0.00 H new ATOM 0 HB THR A 62 4.015 4.499 1.590 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.049 6.427 2.938 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.160 5.540 2.189 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.203 4.847 0.550 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.039 6.606 0.768 1.00 0.00 H new ATOM 1455 N SER A 63 3.931 3.776 -1.784 1.00 0.00 N ATOM 1456 CA SER A 63 3.572 2.522 -2.421 1.00 0.00 C ATOM 1457 C SER A 63 4.055 1.331 -1.600 1.00 0.00 C ATOM 1458 O SER A 63 5.225 1.260 -1.219 1.00 0.00 O ATOM 1459 CB SER A 63 4.156 2.476 -3.830 1.00 0.00 C ATOM 1460 OG SER A 63 4.230 3.783 -4.379 1.00 0.00 O ATOM 0 H SER A 63 4.719 4.259 -2.215 1.00 0.00 H new ATOM 0 HA SER A 63 2.485 2.461 -2.483 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.150 2.029 -3.804 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.538 1.842 -4.466 1.00 0.00 H new ATOM 0 HG SER A 63 3.562 3.878 -5.090 1.00 0.00 H new ATOM 1466 N SER A 64 3.141 0.411 -1.316 1.00 0.00 N ATOM 1467 CA SER A 64 3.468 -0.798 -0.580 1.00 0.00 C ATOM 1468 C SER A 64 4.307 -1.735 -1.445 1.00 0.00 C ATOM 1469 O SER A 64 4.358 -1.584 -2.672 1.00 0.00 O ATOM 1470 CB SER A 64 2.182 -1.491 -0.136 1.00 0.00 C ATOM 1471 OG SER A 64 1.054 -0.667 -0.396 1.00 0.00 O ATOM 0 H SER A 64 2.161 0.483 -1.588 1.00 0.00 H new ATOM 0 HA SER A 64 4.051 -0.533 0.302 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.074 -2.440 -0.661 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.235 -1.719 0.928 1.00 0.00 H new ATOM 0 HG SER A 64 0.779 -0.774 -1.331 1.00 0.00 H new ATOM 1477 N TYR A 65 4.959 -2.697 -0.812 1.00 0.00 N ATOM 1478 CA TYR A 65 5.865 -3.582 -1.522 1.00 0.00 C ATOM 1479 C TYR A 65 5.526 -5.039 -1.265 1.00 0.00 C ATOM 1480 O TYR A 65 4.826 -5.370 -0.304 1.00 0.00 O ATOM 1481 CB TYR A 65 7.308 -3.291 -1.116 1.00 0.00 C ATOM 1482 CG TYR A 65 7.753 -1.897 -1.491 1.00 0.00 C ATOM 1483 CD1 TYR A 65 7.850 -1.518 -2.823 1.00 0.00 C ATOM 1484 CD2 TYR A 65 8.068 -0.957 -0.518 1.00 0.00 C ATOM 1485 CE1 TYR A 65 8.247 -0.245 -3.176 1.00 0.00 C ATOM 1486 CE2 TYR A 65 8.467 0.319 -0.864 1.00 0.00 C ATOM 1487 CZ TYR A 65 8.555 0.670 -2.194 1.00 0.00 C ATOM 1488 OH TYR A 65 8.953 1.940 -2.545 1.00 0.00 O ATOM 0 H TYR A 65 4.878 -2.884 0.187 1.00 0.00 H new ATOM 0 HA TYR A 65 5.752 -3.397 -2.590 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.411 -3.423 -0.039 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.967 -4.018 -1.590 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.610 -2.233 -3.597 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.000 -1.228 0.525 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.316 0.033 -4.217 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.709 1.039 -0.096 1.00 0.00 H new ATOM 0 HH TYR A 65 9.132 2.462 -1.735 1.00 0.00 H new ATOM 1498 N THR A 66 6.017 -5.904 -2.135 1.00 0.00 N ATOM 1499 CA THR A 66 5.756 -7.321 -2.018 1.00 0.00 C ATOM 1500 C THR A 66 6.886 -8.128 -2.649 1.00 0.00 C ATOM 1501 O THR A 66 7.774 -7.569 -3.295 1.00 0.00 O ATOM 1502 CB THR A 66 4.401 -7.687 -2.670 1.00 0.00 C ATOM 1503 OG1 THR A 66 3.869 -8.874 -2.068 1.00 0.00 O ATOM 1504 CG2 THR A 66 4.537 -7.887 -4.173 1.00 0.00 C ATOM 0 H THR A 66 6.600 -5.645 -2.931 1.00 0.00 H new ATOM 0 HA THR A 66 5.703 -7.569 -0.958 1.00 0.00 H new ATOM 0 HB THR A 66 3.718 -6.855 -2.502 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.885 -8.781 -1.093 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.565 -8.143 -4.595 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.901 -6.967 -4.631 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.242 -8.694 -4.370 1.00 0.00 H new ATOM 1512 N LYS A 67 6.851 -9.434 -2.444 1.00 0.00 N ATOM 1513 CA LYS A 67 7.855 -10.334 -2.990 1.00 0.00 C ATOM 1514 C LYS A 67 7.336 -11.761 -2.946 1.00 0.00 C ATOM 1515 O LYS A 67 7.002 -12.346 -3.975 1.00 0.00 O ATOM 1516 CB LYS A 67 9.158 -10.219 -2.191 1.00 0.00 C ATOM 1517 CG LYS A 67 10.401 -10.629 -2.972 1.00 0.00 C ATOM 1518 CD LYS A 67 11.652 -10.554 -2.110 1.00 0.00 C ATOM 1519 CE LYS A 67 12.873 -11.109 -2.833 1.00 0.00 C ATOM 1520 NZ LYS A 67 13.839 -10.040 -3.212 1.00 0.00 N ATOM 0 H LYS A 67 6.128 -9.900 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 67 8.058 -10.059 -4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.276 -9.189 -1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.081 -10.840 -1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.277 -11.645 -3.348 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.517 -9.980 -3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.837 -9.518 -1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.491 -11.112 -1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.372 -11.837 -2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.552 -11.640 -3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.645 -10.463 -3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.368 -9.349 -3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.180 -9.560 -2.355 1.00 0.00 H new ATOM 1534 N SER A 68 7.245 -12.300 -1.743 1.00 0.00 N ATOM 1535 CA SER A 68 6.778 -13.661 -1.536 1.00 0.00 C ATOM 1536 C SER A 68 5.290 -13.689 -1.166 1.00 0.00 C ATOM 1537 O SER A 68 4.897 -14.293 -0.168 1.00 0.00 O ATOM 1538 CB SER A 68 7.624 -14.311 -0.443 1.00 0.00 C ATOM 1539 OG SER A 68 8.698 -13.454 -0.076 1.00 0.00 O ATOM 0 H SER A 68 7.492 -11.809 -0.884 1.00 0.00 H new ATOM 0 HA SER A 68 6.886 -14.222 -2.464 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.004 -14.523 0.428 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.015 -15.265 -0.795 1.00 0.00 H new ATOM 0 HG SER A 68 8.841 -13.504 0.892 1.00 0.00 H new ATOM 1545 N GLY A 69 4.475 -13.015 -1.975 1.00 0.00 N ATOM 1546 CA GLY A 69 3.033 -13.047 -1.795 1.00 0.00 C ATOM 1547 C GLY A 69 2.558 -12.422 -0.494 1.00 0.00 C ATOM 1548 O GLY A 69 1.507 -12.795 0.027 1.00 0.00 O ATOM 0 H GLY A 69 4.791 -12.443 -2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.562 -12.527 -2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.695 -14.083 -1.833 1.00 0.00 H new ATOM 1552 N MET A 70 3.310 -11.464 0.033 1.00 0.00 N ATOM 1553 CA MET A 70 2.940 -10.823 1.292 1.00 0.00 C ATOM 1554 C MET A 70 2.783 -9.319 1.121 1.00 0.00 C ATOM 1555 O MET A 70 3.659 -8.659 0.560 1.00 0.00 O ATOM 1556 CB MET A 70 3.987 -11.103 2.371 1.00 0.00 C ATOM 1557 CG MET A 70 3.716 -12.362 3.176 1.00 0.00 C ATOM 1558 SD MET A 70 4.910 -12.603 4.507 1.00 0.00 S ATOM 1559 CE MET A 70 5.979 -13.844 3.778 1.00 0.00 C ATOM 0 H MET A 70 4.172 -11.115 -0.386 1.00 0.00 H new ATOM 0 HA MET A 70 1.983 -11.243 1.600 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.966 -11.188 1.900 1.00 0.00 H new ATOM 0 HB3 MET A 70 4.032 -10.251 3.050 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.712 -12.310 3.598 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.738 -13.226 2.512 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.771 -14.100 4.481 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.396 -14.736 3.547 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.420 -13.452 2.862 1.00 0.00 H new ATOM 1569 N ILE A 71 1.662 -8.784 1.588 1.00 0.00 N ATOM 1570 CA ILE A 71 1.463 -7.335 1.619 1.00 0.00 C ATOM 1571 C ILE A 71 2.206 -6.740 2.807 1.00 0.00 C ATOM 1572 O ILE A 71 1.801 -6.917 3.959 1.00 0.00 O ATOM 1573 CB ILE A 71 -0.028 -6.929 1.732 1.00 0.00 C ATOM 1574 CG1 ILE A 71 -0.922 -8.153 1.916 1.00 0.00 C ATOM 1575 CG2 ILE A 71 -0.459 -6.127 0.514 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -1.078 -8.570 3.362 1.00 0.00 C ATOM 0 H ILE A 71 0.878 -9.327 1.950 1.00 0.00 H new ATOM 0 HA ILE A 71 1.847 -6.952 0.674 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.137 -6.300 2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.906 -7.941 1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.507 -8.986 1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.509 -5.852 0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.147 -5.224 0.439 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.325 -6.729 -0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.725 -9.445 3.421 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.100 -8.813 3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.521 -7.752 3.931 1.00 0.00 H new ATOM 1588 N LEU A 72 3.290 -6.038 2.528 1.00 0.00 N ATOM 1589 CA LEU A 72 4.115 -5.471 3.568 1.00 0.00 C ATOM 1590 C LEU A 72 4.324 -3.981 3.342 1.00 0.00 C ATOM 1591 O LEU A 72 4.130 -3.477 2.232 1.00 0.00 O ATOM 1592 CB LEU A 72 5.455 -6.198 3.598 1.00 0.00 C ATOM 1593 CG LEU A 72 5.743 -6.961 4.887 1.00 0.00 C ATOM 1594 CD1 LEU A 72 4.619 -7.930 5.220 1.00 0.00 C ATOM 1595 CD2 LEU A 72 7.068 -7.694 4.782 1.00 0.00 C ATOM 0 H LEU A 72 3.617 -5.849 1.581 1.00 0.00 H new ATOM 0 HA LEU A 72 3.613 -5.595 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.491 -6.898 2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.250 -5.470 3.438 1.00 0.00 H new ATOM 0 HG LEU A 72 5.807 -6.237 5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.855 -8.458 6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.688 -7.378 5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.507 -8.650 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.260 -8.234 5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.028 -8.400 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.869 -6.975 4.608 1.00 0.00 H new ATOM 1607 N CYS A 73 4.717 -3.284 4.399 1.00 0.00 N ATOM 1608 CA CYS A 73 4.943 -1.855 4.328 1.00 0.00 C ATOM 1609 C CYS A 73 6.330 -1.551 3.769 1.00 0.00 C ATOM 1610 O CYS A 73 7.083 -2.461 3.407 1.00 0.00 O ATOM 1611 CB CYS A 73 4.784 -1.231 5.715 1.00 0.00 C ATOM 1612 SG CYS A 73 6.027 -1.782 6.928 1.00 0.00 S ATOM 0 H CYS A 73 4.886 -3.692 5.319 1.00 0.00 H new ATOM 0 HA CYS A 73 4.203 -1.422 3.655 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.839 -0.146 5.622 1.00 0.00 H new ATOM 0 HB3 CYS A 73 3.791 -1.468 6.096 1.00 0.00 H new ATOM 1617 N ARG A 74 6.660 -0.267 3.711 1.00 0.00 N ATOM 1618 CA ARG A 74 7.954 0.178 3.214 1.00 0.00 C ATOM 1619 C ARG A 74 9.078 -0.298 4.130 1.00 0.00 C ATOM 1620 O ARG A 74 10.146 -0.689 3.667 1.00 0.00 O ATOM 1621 CB ARG A 74 7.975 1.707 3.107 1.00 0.00 C ATOM 1622 CG ARG A 74 8.926 2.235 2.045 1.00 0.00 C ATOM 1623 CD ARG A 74 10.297 2.568 2.620 1.00 0.00 C ATOM 1624 NE ARG A 74 10.221 3.062 3.997 1.00 0.00 N ATOM 1625 CZ ARG A 74 11.277 3.188 4.804 1.00 0.00 C ATOM 1626 NH1 ARG A 74 12.496 2.901 4.360 1.00 0.00 N ATOM 1627 NH2 ARG A 74 11.112 3.612 6.050 1.00 0.00 N ATOM 0 H ARG A 74 6.043 0.490 4.005 1.00 0.00 H new ATOM 0 HA ARG A 74 8.111 -0.253 2.225 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.968 2.060 2.887 1.00 0.00 H new ATOM 0 HB3 ARG A 74 8.256 2.126 4.073 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.035 1.492 1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.499 3.127 1.587 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.926 1.678 2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.778 3.319 1.994 1.00 0.00 H new ATOM 0 HE ARG A 74 9.306 3.326 4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 74 12.627 2.583 3.400 1.00 0.00 H new ATOM 0 HH12 ARG A 74 13.300 2.998 4.979 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.179 3.842 6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.919 3.708 6.667 1.00 0.00 H new ATOM 1641 N ASN A 75 8.818 -0.278 5.428 1.00 0.00 N ATOM 1642 CA ASN A 75 9.836 -0.611 6.415 1.00 0.00 C ATOM 1643 C ASN A 75 9.953 -2.120 6.591 1.00 0.00 C ATOM 1644 O ASN A 75 11.056 -2.663 6.688 1.00 0.00 O ATOM 1645 CB ASN A 75 9.509 0.048 7.760 1.00 0.00 C ATOM 1646 CG ASN A 75 10.543 -0.255 8.827 1.00 0.00 C ATOM 1647 OD1 ASN A 75 11.745 -0.075 8.618 1.00 0.00 O ATOM 1648 ND2 ASN A 75 10.086 -0.711 9.984 1.00 0.00 N ATOM 0 H ASN A 75 7.910 -0.035 5.824 1.00 0.00 H new ATOM 0 HA ASN A 75 10.792 -0.231 6.054 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.439 1.127 7.624 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.531 -0.294 8.100 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.736 -0.926 10.740 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.084 -0.847 10.119 1.00 0.00 H new ATOM 1655 N ASP A 76 8.812 -2.792 6.607 1.00 0.00 N ATOM 1656 CA ASP A 76 8.766 -4.218 6.902 1.00 0.00 C ATOM 1657 C ASP A 76 9.453 -5.038 5.829 1.00 0.00 C ATOM 1658 O ASP A 76 10.193 -5.967 6.138 1.00 0.00 O ATOM 1659 CB ASP A 76 7.324 -4.693 7.059 1.00 0.00 C ATOM 1660 CG ASP A 76 7.023 -5.130 8.472 1.00 0.00 C ATOM 1661 OD1 ASP A 76 7.517 -6.214 8.883 1.00 0.00 O ATOM 1662 OD2 ASP A 76 6.310 -4.394 9.189 1.00 0.00 O ATOM 0 H ASP A 76 7.902 -2.372 6.419 1.00 0.00 H new ATOM 0 HA ASP A 76 9.300 -4.365 7.841 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.645 -3.889 6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.139 -5.522 6.376 1.00 0.00 H new ATOM 1667 N TYR A 77 9.217 -4.698 4.567 1.00 0.00 N ATOM 1668 CA TYR A 77 9.788 -5.465 3.469 1.00 0.00 C ATOM 1669 C TYR A 77 11.312 -5.406 3.497 1.00 0.00 C ATOM 1670 O TYR A 77 11.980 -6.433 3.362 1.00 0.00 O ATOM 1671 CB TYR A 77 9.280 -4.979 2.109 1.00 0.00 C ATOM 1672 CG TYR A 77 10.017 -5.633 0.966 1.00 0.00 C ATOM 1673 CD1 TYR A 77 9.933 -7.004 0.765 1.00 0.00 C ATOM 1674 CD2 TYR A 77 10.822 -4.892 0.114 1.00 0.00 C ATOM 1675 CE1 TYR A 77 10.632 -7.617 -0.252 1.00 0.00 C ATOM 1676 CE2 TYR A 77 11.519 -5.498 -0.911 1.00 0.00 C ATOM 1677 CZ TYR A 77 11.425 -6.859 -1.089 1.00 0.00 C ATOM 1678 OH TYR A 77 12.131 -7.464 -2.101 1.00 0.00 O ATOM 0 H TYR A 77 8.641 -3.906 4.282 1.00 0.00 H new ATOM 0 HA TYR A 77 9.466 -6.498 3.604 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.214 -5.191 2.023 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.396 -3.897 2.044 1.00 0.00 H new ATOM 0 HD1 TYR A 77 9.310 -7.599 1.416 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.905 -3.824 0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.560 -8.685 -0.393 1.00 0.00 H new ATOM 0 HE2 TYR A 77 12.136 -4.906 -1.571 1.00 0.00 H new ATOM 0 HH TYR A 77 12.034 -6.942 -2.925 1.00 0.00 H new ATOM 1688 N ILE A 78 11.855 -4.207 3.681 1.00 0.00 N ATOM 1689 CA ILE A 78 13.303 -4.017 3.694 1.00 0.00 C ATOM 1690 C ILE A 78 13.922 -4.739 4.887 1.00 0.00 C ATOM 1691 O ILE A 78 15.057 -5.211 4.825 1.00 0.00 O ATOM 1692 CB ILE A 78 13.683 -2.517 3.741 1.00 0.00 C ATOM 1693 CG1 ILE A 78 13.053 -1.772 2.559 1.00 0.00 C ATOM 1694 CG2 ILE A 78 15.197 -2.339 3.735 1.00 0.00 C ATOM 1695 CD1 ILE A 78 13.236 -0.272 2.622 1.00 0.00 C ATOM 0 H ILE A 78 11.316 -3.353 3.823 1.00 0.00 H new ATOM 0 HA ILE A 78 13.695 -4.438 2.768 1.00 0.00 H new ATOM 0 HB ILE A 78 13.295 -2.095 4.668 1.00 0.00 H new ATOM 0 HG12 ILE A 78 13.489 -2.144 1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.987 -1.999 2.524 1.00 0.00 H new ATOM 0 HG21 ILE A 78 15.439 -1.277 3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.625 -2.836 4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.611 -2.777 2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 78 12.765 0.189 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.775 0.113 3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 78 14.300 -0.035 2.626 1.00 0.00 H new ATOM 1707 N ARG A 79 13.161 -4.826 5.969 1.00 0.00 N ATOM 1708 CA ARG A 79 13.604 -5.527 7.164 1.00 0.00 C ATOM 1709 C ARG A 79 13.526 -7.040 6.962 1.00 0.00 C ATOM 1710 O ARG A 79 14.469 -7.769 7.272 1.00 0.00 O ATOM 1711 CB ARG A 79 12.747 -5.119 8.364 1.00 0.00 C ATOM 1712 CG ARG A 79 13.554 -4.770 9.603 1.00 0.00 C ATOM 1713 CD ARG A 79 12.666 -4.694 10.831 1.00 0.00 C ATOM 1714 NE ARG A 79 12.592 -3.338 11.376 1.00 0.00 N ATOM 1715 CZ ARG A 79 11.886 -3.005 12.456 1.00 0.00 C ATOM 1716 NH1 ARG A 79 11.183 -3.924 13.109 1.00 0.00 N ATOM 1717 NH2 ARG A 79 11.876 -1.746 12.878 1.00 0.00 N ATOM 0 H ARG A 79 12.229 -4.417 6.043 1.00 0.00 H new ATOM 0 HA ARG A 79 14.642 -5.254 7.356 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.135 -4.261 8.087 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.064 -5.933 8.604 1.00 0.00 H new ATOM 0 HG2 ARG A 79 14.330 -5.519 9.758 1.00 0.00 H new ATOM 0 HG3 ARG A 79 14.058 -3.815 9.455 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.663 -5.036 10.574 1.00 0.00 H new ATOM 0 HD3 ARG A 79 13.047 -5.371 11.596 1.00 0.00 H new ATOM 0 HE ARG A 79 13.113 -2.602 10.900 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.182 -4.891 12.784 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.645 -3.663 13.935 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.408 -1.035 12.376 1.00 0.00 H new ATOM 0 HH22 ARG A 79 11.336 -1.489 13.704 1.00 0.00 H new ATOM 1731 N LEU A 80 12.399 -7.498 6.432 1.00 0.00 N ATOM 1732 CA LEU A 80 12.140 -8.922 6.273 1.00 0.00 C ATOM 1733 C LEU A 80 13.026 -9.550 5.203 1.00 0.00 C ATOM 1734 O LEU A 80 13.762 -10.496 5.481 1.00 0.00 O ATOM 1735 CB LEU A 80 10.664 -9.162 5.942 1.00 0.00 C ATOM 1736 CG LEU A 80 9.978 -10.222 6.804 1.00 0.00 C ATOM 1737 CD1 LEU A 80 9.607 -9.649 8.160 1.00 0.00 C ATOM 1738 CD2 LEU A 80 8.744 -10.768 6.107 1.00 0.00 C ATOM 0 H LEU A 80 11.644 -6.897 6.102 1.00 0.00 H new ATOM 0 HA LEU A 80 12.380 -9.402 7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.124 -8.221 6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.584 -9.457 4.896 1.00 0.00 H new ATOM 0 HG LEU A 80 10.680 -11.043 6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.120 -10.418 8.759 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.508 -9.308 8.670 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.926 -8.808 8.026 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.272 -11.521 6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.041 -9.956 5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.032 -11.220 5.158 1.00 0.00 H new ATOM 1750 N PHE A 81 12.964 -9.029 3.986 1.00 0.00 N ATOM 1751 CA PHE A 81 13.706 -9.614 2.882 1.00 0.00 C ATOM 1752 C PHE A 81 14.790 -8.667 2.379 1.00 0.00 C ATOM 1753 O PHE A 81 15.801 -8.447 3.051 1.00 0.00 O ATOM 1754 CB PHE A 81 12.757 -9.983 1.737 1.00 0.00 C ATOM 1755 CG PHE A 81 11.745 -11.027 2.103 1.00 0.00 C ATOM 1756 CD1 PHE A 81 12.063 -12.371 2.025 1.00 0.00 C ATOM 1757 CD2 PHE A 81 10.478 -10.662 2.523 1.00 0.00 C ATOM 1758 CE1 PHE A 81 11.135 -13.335 2.361 1.00 0.00 C ATOM 1759 CE2 PHE A 81 9.544 -11.622 2.861 1.00 0.00 C ATOM 1760 CZ PHE A 81 9.873 -12.961 2.780 1.00 0.00 C ATOM 0 H PHE A 81 12.411 -8.208 3.740 1.00 0.00 H new ATOM 0 HA PHE A 81 14.190 -10.519 3.249 1.00 0.00 H new ATOM 0 HB2 PHE A 81 12.235 -9.085 1.406 1.00 0.00 H new ATOM 0 HB3 PHE A 81 13.345 -10.340 0.891 1.00 0.00 H new ATOM 0 HD1 PHE A 81 13.048 -12.669 1.698 1.00 0.00 H new ATOM 0 HD2 PHE A 81 10.217 -9.616 2.587 1.00 0.00 H new ATOM 0 HE1 PHE A 81 11.395 -14.381 2.296 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.558 -11.326 3.188 1.00 0.00 H new ATOM 0 HZ PHE A 81 9.145 -13.714 3.044 1.00 0.00 H new ATOM 1770 N GLY A 82 14.561 -8.100 1.204 1.00 0.00 N ATOM 1771 CA GLY A 82 15.561 -7.276 0.563 1.00 0.00 C ATOM 1772 C GLY A 82 16.054 -7.926 -0.709 1.00 0.00 C ATOM 1773 O GLY A 82 15.204 -8.456 -1.465 1.00 0.00 O ATOM 1774 OXT GLY A 82 17.282 -7.953 -0.938 1.00 0.00 O ATOM 0 H GLY A 82 13.691 -8.198 0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.141 -6.296 0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.398 -7.116 1.243 1.00 0.00 H new TER 1778 GLY A 82 HETATM 1779 ZN ZN A 101 -10.821 -7.378 4.562 1.00 0.00 ZN HETATM 1780 ZN ZN A 102 4.937 -3.025 8.534 1.00 0.00 ZN