USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=34 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 21 LYS NZ :NH3+ -168:sc= 3.12 (180deg=1.25) USER MOD Set 1.2: A 679 SER OG : rot -170:sc= 0.994 USER MOD Set 1.3: A 680 GLN : amide:sc= -0.741 K(o=3.4,f=-9.6!) USER MOD Set 2.1: A 664 SER OG : rot -129:sc= 1.37 USER MOD Set 2.2: A 665 GLN : amide:sc= 0 X(o=1.4,f=1.1) USER MOD Set 3.1: A 67 LYS NZ :NH3+ 148:sc= 1.88 (180deg=-0.584!) USER MOD Set 3.2: A 666 TYR OH : rot 130:sc= 0.721 USER MOD Set 4.1: A 39 MET CE :methyl -135:sc= -0.158 (180deg=-0.433) USER MOD Set 4.2: A 668 MET CE :methyl -131:sc= -2.24! (180deg=-3.82!) USER MOD Set 5.1: A 37 TYR OH : rot 93:sc= 0.703 USER MOD Set 5.2: A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0659 USER MOD Single : A 29 LYS NZ :NH3+ 135:sc= 1.12 (180deg=-0.0737) USER MOD Single : A 41 SER OG : rot 112:sc= 1.35 USER MOD Single : A 45 SER OG : rot 180:sc= 0.172 USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= 1.32 (180deg=1.22) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0314 USER MOD Single : A 52 SER OG : rot 82:sc= -0.249! USER MOD Single : A 54 GLN :FLIP amide:sc= -0.359 F(o=-0.96,f=-0.36) USER MOD Single : A 56 GLN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0439 USER MOD Single : A 64 SER OG : rot 180:sc= 0.157 USER MOD Single : A 65 TYR OH : rot 0:sc= 0.958 USER MOD Single : A 66 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 68 SER OG : rot 116:sc= 0.343 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0835 X(o=-0.084,f=-0.067) USER MOD Single : A 77 TYR OH : rot -112:sc= 0.552 USER MOD Single : A 641 SER OG : rot 9:sc= 0.825 USER MOD Single : A 643 GLN : amide:sc= 0.283 X(o=0.28,f=-0.085) USER MOD Single : A 644 ASN :FLIP amide:sc= -0.0618 F(o=-0.65,f=-0.062) USER MOD Single : A 645 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 646 GLN : amide:sc= -0.043 K(o=-0.043,f=-0.61) 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 : amide:sc= -0.0153 K(o=-0.015,f=-1.4) USER MOD Single : A 656 SER OG : rot 180:sc= 0.0706 USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 671 THR OG1 : rot 180:sc= 0 USER MOD Single : A 675 THR OG1 : rot 180:sc= -0.0372 USER MOD Single : A 676 LYS NZ :NH3+ -112:sc= 0.429 (180deg=-1.91) USER MOD Single : A 681 SER OG : rot 180:sc= 0.149 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 HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 907 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 909 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 641 31.852 -22.381 -11.465 1.00 0.00 N ATOM 2 CA SER A 641 32.627 -21.549 -10.523 1.00 0.00 C ATOM 3 C SER A 641 31.688 -20.804 -9.581 1.00 0.00 C ATOM 4 O SER A 641 30.520 -21.180 -9.437 1.00 0.00 O ATOM 5 CB SER A 641 33.483 -20.563 -11.318 1.00 0.00 C ATOM 6 OG SER A 641 33.421 -20.849 -12.704 1.00 0.00 O ATOM 0 HA SER A 641 33.275 -22.185 -9.920 1.00 0.00 H new ATOM 0 HB2 SER A 641 33.138 -19.545 -11.136 1.00 0.00 H new ATOM 0 HB3 SER A 641 34.517 -20.615 -10.977 1.00 0.00 H new ATOM 0 HG SER A 641 32.738 -21.532 -12.867 1.00 0.00 H new ATOM 12 N LEU A 642 32.212 -19.762 -8.935 1.00 0.00 N ATOM 13 CA LEU A 642 31.437 -18.925 -8.024 1.00 0.00 C ATOM 14 C LEU A 642 30.188 -18.363 -8.706 1.00 0.00 C ATOM 15 O LEU A 642 30.241 -17.334 -9.383 1.00 0.00 O ATOM 16 CB LEU A 642 32.309 -17.781 -7.498 1.00 0.00 C ATOM 17 CG LEU A 642 32.144 -17.463 -6.013 1.00 0.00 C ATOM 18 CD1 LEU A 642 33.497 -17.203 -5.373 1.00 0.00 C ATOM 19 CD2 LEU A 642 31.231 -16.265 -5.832 1.00 0.00 C ATOM 0 H LEU A 642 33.186 -19.476 -9.030 1.00 0.00 H new ATOM 0 HA LEU A 642 31.111 -19.546 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 642 33.354 -18.027 -7.686 1.00 0.00 H new ATOM 0 HB3 LEU A 642 32.085 -16.882 -8.072 1.00 0.00 H new ATOM 0 HG LEU A 642 31.691 -18.323 -5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 642 33.362 -16.978 -4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 642 34.125 -18.087 -5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 642 33.976 -16.357 -5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 642 31.121 -16.048 -4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 642 31.662 -15.400 -6.336 1.00 0.00 H new ATOM 0 HD23 LEU A 642 30.253 -16.485 -6.260 1.00 0.00 H new ATOM 31 N GLN A 643 29.073 -19.057 -8.519 1.00 0.00 N ATOM 32 CA GLN A 643 27.797 -18.670 -9.105 1.00 0.00 C ATOM 33 C GLN A 643 26.734 -19.684 -8.714 1.00 0.00 C ATOM 34 O GLN A 643 25.758 -19.356 -8.046 1.00 0.00 O ATOM 35 CB GLN A 643 27.894 -18.591 -10.633 1.00 0.00 C ATOM 36 CG GLN A 643 27.095 -17.445 -11.231 1.00 0.00 C ATOM 37 CD GLN A 643 27.875 -16.664 -12.270 1.00 0.00 C ATOM 38 OE1 GLN A 643 27.398 -16.439 -13.382 1.00 0.00 O ATOM 39 NE2 GLN A 643 29.080 -16.243 -11.917 1.00 0.00 N ATOM 0 H GLN A 643 29.028 -19.906 -7.955 1.00 0.00 H new ATOM 0 HA GLN A 643 27.528 -17.683 -8.728 1.00 0.00 H new ATOM 0 HB2 GLN A 643 28.940 -18.482 -10.918 1.00 0.00 H new ATOM 0 HB3 GLN A 643 27.544 -19.530 -11.061 1.00 0.00 H new ATOM 0 HG2 GLN A 643 26.187 -17.840 -11.686 1.00 0.00 H new ATOM 0 HG3 GLN A 643 26.784 -16.770 -10.434 1.00 0.00 H new ATOM 0 HE21 GLN A 643 29.440 -16.450 -10.985 1.00 0.00 H new ATOM 0 HE22 GLN A 643 29.648 -15.712 -12.577 1.00 0.00 H new ATOM 48 N ASN A 644 26.945 -20.925 -9.133 1.00 0.00 N ATOM 49 CA ASN A 644 26.048 -22.021 -8.786 1.00 0.00 C ATOM 50 C ASN A 644 26.813 -23.079 -8.003 1.00 0.00 C ATOM 51 O ASN A 644 26.285 -24.135 -7.659 1.00 0.00 O ATOM 52 CB ASN A 644 25.438 -22.629 -10.050 1.00 0.00 C ATOM 53 CG ASN A 644 24.142 -23.377 -9.785 1.00 0.00 C ATOM 54 OD1 ASN A 644 23.243 -22.772 -9.025 1.00 0.00 O flip ATOM 55 ND2 ASN A 644 23.948 -24.492 -10.270 1.00 0.00 N flip ATOM 0 H ASN A 644 27.735 -21.199 -9.717 1.00 0.00 H new ATOM 0 HA ASN A 644 25.238 -21.637 -8.166 1.00 0.00 H new ATOM 0 HB2 ASN A 644 25.251 -21.836 -10.774 1.00 0.00 H new ATOM 0 HB3 ASN A 644 26.158 -23.311 -10.502 1.00 0.00 H new ATOM 0 HD21 ASN A 644 24.664 -24.927 -10.851 1.00 0.00 H new ATOM 0 HD22 ASN A 644 23.071 -24.981 -10.091 1.00 0.00 H new ATOM 62 N ASN A 645 28.072 -22.778 -7.739 1.00 0.00 N ATOM 63 CA ASN A 645 28.932 -23.648 -6.956 1.00 0.00 C ATOM 64 C ASN A 645 29.815 -22.794 -6.062 1.00 0.00 C ATOM 65 O ASN A 645 30.507 -21.899 -6.550 1.00 0.00 O ATOM 66 CB ASN A 645 29.782 -24.537 -7.879 1.00 0.00 C ATOM 67 CG ASN A 645 31.126 -24.923 -7.276 1.00 0.00 C ATOM 68 OD1 ASN A 645 32.156 -24.321 -7.585 1.00 0.00 O ATOM 69 ND2 ASN A 645 31.133 -25.944 -6.430 1.00 0.00 N ATOM 0 H ASN A 645 28.527 -21.924 -8.061 1.00 0.00 H new ATOM 0 HA ASN A 645 28.322 -24.304 -6.336 1.00 0.00 H new ATOM 0 HB2 ASN A 645 29.224 -25.443 -8.114 1.00 0.00 H new ATOM 0 HB3 ASN A 645 29.951 -24.014 -8.820 1.00 0.00 H new ATOM 0 HD21 ASN A 645 32.010 -26.254 -6.012 1.00 0.00 H new ATOM 0 HD22 ASN A 645 30.261 -26.419 -6.197 1.00 0.00 H new ATOM 76 N GLN A 646 29.761 -23.051 -4.756 1.00 0.00 N ATOM 77 CA GLN A 646 30.532 -22.281 -3.779 1.00 0.00 C ATOM 78 C GLN A 646 30.237 -20.786 -3.906 1.00 0.00 C ATOM 79 O GLN A 646 31.139 -19.949 -3.832 1.00 0.00 O ATOM 80 CB GLN A 646 32.028 -22.541 -3.955 1.00 0.00 C ATOM 81 CG GLN A 646 32.493 -23.846 -3.336 1.00 0.00 C ATOM 82 CD GLN A 646 33.941 -23.801 -2.896 1.00 0.00 C ATOM 83 OE1 GLN A 646 34.394 -22.820 -2.303 1.00 0.00 O ATOM 84 NE2 GLN A 646 34.681 -24.860 -3.187 1.00 0.00 N ATOM 0 H GLN A 646 29.189 -23.790 -4.348 1.00 0.00 H new ATOM 0 HA GLN A 646 30.234 -22.605 -2.782 1.00 0.00 H new ATOM 0 HB2 GLN A 646 32.265 -22.548 -5.019 1.00 0.00 H new ATOM 0 HB3 GLN A 646 32.587 -21.718 -3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 646 31.864 -24.081 -2.477 1.00 0.00 H new ATOM 0 HG3 GLN A 646 32.362 -24.653 -4.057 1.00 0.00 H new ATOM 0 HE21 GLN A 646 34.267 -25.652 -3.679 1.00 0.00 H new ATOM 0 HE22 GLN A 646 35.665 -24.884 -2.919 1.00 0.00 H new ATOM 93 N ASP A 647 28.967 -20.465 -4.103 1.00 0.00 N ATOM 94 CA ASP A 647 28.536 -19.088 -4.289 1.00 0.00 C ATOM 95 C ASP A 647 28.559 -18.324 -2.971 1.00 0.00 C ATOM 96 O ASP A 647 27.656 -18.449 -2.141 1.00 0.00 O ATOM 97 CB ASP A 647 27.132 -19.032 -4.920 1.00 0.00 C ATOM 98 CG ASP A 647 26.171 -20.083 -4.377 1.00 0.00 C ATOM 99 OD1 ASP A 647 26.491 -21.292 -4.442 1.00 0.00 O ATOM 100 OD2 ASP A 647 25.080 -19.708 -3.896 1.00 0.00 O ATOM 0 H ASP A 647 28.210 -21.148 -4.138 1.00 0.00 H new ATOM 0 HA ASP A 647 29.238 -18.610 -4.972 1.00 0.00 H new ATOM 0 HB2 ASP A 647 26.707 -18.043 -4.751 1.00 0.00 H new ATOM 0 HB3 ASP A 647 27.223 -19.159 -5.999 1.00 0.00 H new ATOM 105 N VAL A 648 29.617 -17.550 -2.781 1.00 0.00 N ATOM 106 CA VAL A 648 29.768 -16.711 -1.599 1.00 0.00 C ATOM 107 C VAL A 648 29.950 -15.256 -2.015 1.00 0.00 C ATOM 108 O VAL A 648 29.956 -14.946 -3.205 1.00 0.00 O ATOM 109 CB VAL A 648 30.978 -17.144 -0.739 1.00 0.00 C ATOM 110 CG1 VAL A 648 30.679 -18.440 -0.004 1.00 0.00 C ATOM 111 CG2 VAL A 648 32.231 -17.280 -1.597 1.00 0.00 C ATOM 0 H VAL A 648 30.394 -17.485 -3.439 1.00 0.00 H new ATOM 0 HA VAL A 648 28.864 -16.823 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 648 31.162 -16.369 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 648 31.544 -18.726 0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 648 29.817 -18.298 0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 648 30.462 -19.226 -0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 648 33.069 -17.585 -0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 648 32.063 -18.030 -2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 648 32.458 -16.322 -2.065 1.00 0.00 H new ATOM 121 N SER A 649 30.097 -14.371 -1.044 1.00 0.00 N ATOM 122 CA SER A 649 30.346 -12.969 -1.331 1.00 0.00 C ATOM 123 C SER A 649 31.830 -12.657 -1.142 1.00 0.00 C ATOM 124 O SER A 649 32.445 -13.093 -0.163 1.00 0.00 O ATOM 125 CB SER A 649 29.482 -12.086 -0.427 1.00 0.00 C ATOM 126 OG SER A 649 28.501 -12.857 0.255 1.00 0.00 O ATOM 0 H SER A 649 30.048 -14.598 -0.051 1.00 0.00 H new ATOM 0 HA SER A 649 30.079 -12.760 -2.367 1.00 0.00 H new ATOM 0 HB2 SER A 649 30.114 -11.573 0.298 1.00 0.00 H new ATOM 0 HB3 SER A 649 28.993 -11.316 -1.025 1.00 0.00 H new ATOM 0 HG SER A 649 27.963 -12.270 0.827 1.00 0.00 H new ATOM 132 N PHE A 650 32.408 -11.924 -2.084 1.00 0.00 N ATOM 133 CA PHE A 650 33.834 -11.622 -2.050 1.00 0.00 C ATOM 134 C PHE A 650 34.092 -10.171 -2.441 1.00 0.00 C ATOM 135 O PHE A 650 33.467 -9.643 -3.361 1.00 0.00 O ATOM 136 CB PHE A 650 34.594 -12.559 -2.994 1.00 0.00 C ATOM 137 CG PHE A 650 35.760 -13.259 -2.355 1.00 0.00 C ATOM 138 CD1 PHE A 650 35.632 -13.848 -1.109 1.00 0.00 C ATOM 139 CD2 PHE A 650 36.983 -13.325 -3.002 1.00 0.00 C ATOM 140 CE1 PHE A 650 36.703 -14.490 -0.520 1.00 0.00 C ATOM 141 CE2 PHE A 650 38.058 -13.966 -2.417 1.00 0.00 C ATOM 142 CZ PHE A 650 37.918 -14.550 -1.174 1.00 0.00 C ATOM 0 H PHE A 650 31.912 -11.527 -2.882 1.00 0.00 H new ATOM 0 HA PHE A 650 34.190 -11.773 -1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 650 33.902 -13.307 -3.381 1.00 0.00 H new ATOM 0 HB3 PHE A 650 34.952 -11.985 -3.848 1.00 0.00 H new ATOM 0 HD1 PHE A 650 34.685 -13.805 -0.592 1.00 0.00 H new ATOM 0 HD2 PHE A 650 37.098 -12.870 -3.975 1.00 0.00 H new ATOM 0 HE1 PHE A 650 36.591 -14.946 0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 650 39.007 -14.010 -2.931 1.00 0.00 H new ATOM 0 HZ PHE A 650 38.756 -15.052 -0.714 1.00 0.00 H new ATOM 152 N GLU A 651 35.034 -9.541 -1.750 1.00 0.00 N ATOM 153 CA GLU A 651 35.383 -8.144 -1.997 1.00 0.00 C ATOM 154 C GLU A 651 36.086 -7.977 -3.340 1.00 0.00 C ATOM 155 O GLU A 651 36.222 -6.860 -3.844 1.00 0.00 O ATOM 156 CB GLU A 651 36.290 -7.621 -0.879 1.00 0.00 C ATOM 157 CG GLU A 651 35.714 -7.811 0.513 1.00 0.00 C ATOM 158 CD GLU A 651 36.239 -9.054 1.198 1.00 0.00 C ATOM 159 OE1 GLU A 651 36.077 -10.161 0.636 1.00 0.00 O ATOM 160 OE2 GLU A 651 36.803 -8.932 2.303 1.00 0.00 O ATOM 0 H GLU A 651 35.576 -9.980 -1.006 1.00 0.00 H new ATOM 0 HA GLU A 651 34.457 -7.569 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 651 37.253 -8.129 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 651 36.479 -6.560 -1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 651 35.951 -6.938 1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 651 34.628 -7.869 0.447 1.00 0.00 H new ATOM 167 N ASN A 652 36.534 -9.088 -3.910 1.00 0.00 N ATOM 168 CA ASN A 652 37.245 -9.062 -5.184 1.00 0.00 C ATOM 169 C ASN A 652 36.274 -8.938 -6.353 1.00 0.00 C ATOM 170 O ASN A 652 36.671 -8.599 -7.468 1.00 0.00 O ATOM 171 CB ASN A 652 38.093 -10.322 -5.350 1.00 0.00 C ATOM 172 CG ASN A 652 39.329 -10.076 -6.195 1.00 0.00 C ATOM 173 OD1 ASN A 652 40.346 -9.588 -5.701 1.00 0.00 O ATOM 174 ND2 ASN A 652 39.255 -10.416 -7.473 1.00 0.00 N ATOM 0 H ASN A 652 36.418 -10.020 -3.511 1.00 0.00 H new ATOM 0 HA ASN A 652 37.898 -8.189 -5.181 1.00 0.00 H new ATOM 0 HB2 ASN A 652 38.394 -10.687 -4.368 1.00 0.00 H new ATOM 0 HB3 ASN A 652 37.490 -11.105 -5.811 1.00 0.00 H new ATOM 0 HD21 ASN A 652 40.059 -10.276 -8.085 1.00 0.00 H new ATOM 0 HD22 ASN A 652 38.394 -10.818 -7.845 1.00 0.00 H new ATOM 181 N ILE A 653 35.002 -9.207 -6.094 1.00 0.00 N ATOM 182 CA ILE A 653 33.981 -9.125 -7.128 1.00 0.00 C ATOM 183 C ILE A 653 32.849 -8.209 -6.688 1.00 0.00 C ATOM 184 O ILE A 653 31.870 -8.653 -6.089 1.00 0.00 O ATOM 185 CB ILE A 653 33.402 -10.511 -7.493 1.00 0.00 C ATOM 186 CG1 ILE A 653 33.781 -11.560 -6.444 1.00 0.00 C ATOM 187 CG2 ILE A 653 33.888 -10.939 -8.869 1.00 0.00 C ATOM 188 CD1 ILE A 653 32.737 -12.640 -6.265 1.00 0.00 C ATOM 0 H ILE A 653 34.653 -9.484 -5.177 1.00 0.00 H new ATOM 0 HA ILE A 653 34.466 -8.717 -8.015 1.00 0.00 H new ATOM 0 HB ILE A 653 32.315 -10.430 -7.512 1.00 0.00 H new ATOM 0 HG12 ILE A 653 34.726 -12.023 -6.730 1.00 0.00 H new ATOM 0 HG13 ILE A 653 33.946 -11.063 -5.488 1.00 0.00 H new ATOM 0 HG21 ILE A 653 33.473 -11.917 -9.114 1.00 0.00 H new ATOM 0 HG22 ILE A 653 33.564 -10.211 -9.612 1.00 0.00 H new ATOM 0 HG23 ILE A 653 34.976 -10.997 -8.869 1.00 0.00 H new ATOM 0 HD11 ILE A 653 33.072 -13.348 -5.507 1.00 0.00 H new ATOM 0 HD12 ILE A 653 31.797 -12.188 -5.949 1.00 0.00 H new ATOM 0 HD13 ILE A 653 32.589 -13.163 -7.210 1.00 0.00 H new ATOM 200 N GLN A 654 32.984 -6.930 -6.991 1.00 0.00 N ATOM 201 CA GLN A 654 31.992 -5.942 -6.597 1.00 0.00 C ATOM 202 C GLN A 654 31.206 -5.467 -7.811 1.00 0.00 C ATOM 203 O GLN A 654 31.049 -4.268 -8.044 1.00 0.00 O ATOM 204 CB GLN A 654 32.658 -4.756 -5.899 1.00 0.00 C ATOM 205 CG GLN A 654 32.504 -4.780 -4.387 1.00 0.00 C ATOM 206 CD GLN A 654 31.100 -4.428 -3.927 1.00 0.00 C ATOM 207 OE1 GLN A 654 30.202 -4.191 -4.739 1.00 0.00 O ATOM 208 NE2 GLN A 654 30.902 -4.395 -2.618 1.00 0.00 N ATOM 0 H GLN A 654 33.774 -6.549 -7.511 1.00 0.00 H new ATOM 0 HA GLN A 654 31.302 -6.411 -5.895 1.00 0.00 H new ATOM 0 HB2 GLN A 654 33.719 -4.746 -6.148 1.00 0.00 H new ATOM 0 HB3 GLN A 654 32.231 -3.830 -6.285 1.00 0.00 H new ATOM 0 HG2 GLN A 654 32.764 -5.772 -4.017 1.00 0.00 H new ATOM 0 HG3 GLN A 654 33.212 -4.079 -3.944 1.00 0.00 H new ATOM 0 HE21 GLN A 654 31.672 -4.597 -1.980 1.00 0.00 H new ATOM 0 HE22 GLN A 654 29.979 -4.167 -2.247 1.00 0.00 H new ATOM 217 N TRP A 655 30.722 -6.423 -8.585 1.00 0.00 N ATOM 218 CA TRP A 655 29.922 -6.127 -9.762 1.00 0.00 C ATOM 219 C TRP A 655 28.447 -6.058 -9.380 1.00 0.00 C ATOM 220 O TRP A 655 28.115 -5.789 -8.224 1.00 0.00 O ATOM 221 CB TRP A 655 30.161 -7.180 -10.862 1.00 0.00 C ATOM 222 CG TRP A 655 29.917 -8.603 -10.437 1.00 0.00 C ATOM 223 CD1 TRP A 655 30.616 -9.319 -9.505 1.00 0.00 C ATOM 224 CD2 TRP A 655 28.912 -9.490 -10.945 1.00 0.00 C ATOM 225 NE1 TRP A 655 30.099 -10.585 -9.395 1.00 0.00 N ATOM 226 CE2 TRP A 655 29.053 -10.716 -10.265 1.00 0.00 C ATOM 227 CE3 TRP A 655 27.902 -9.365 -11.903 1.00 0.00 C ATOM 228 CZ2 TRP A 655 28.224 -11.806 -10.515 1.00 0.00 C ATOM 229 CZ3 TRP A 655 27.080 -10.449 -12.151 1.00 0.00 C ATOM 230 CH2 TRP A 655 27.244 -11.654 -11.458 1.00 0.00 C ATOM 0 H TRP A 655 30.870 -7.418 -8.418 1.00 0.00 H new ATOM 0 HA TRP A 655 30.223 -5.158 -10.161 1.00 0.00 H new ATOM 0 HB2 TRP A 655 29.514 -6.953 -11.710 1.00 0.00 H new ATOM 0 HB3 TRP A 655 31.189 -7.092 -11.213 1.00 0.00 H new ATOM 0 HD1 TRP A 655 31.454 -8.942 -8.937 1.00 0.00 H new ATOM 0 HE1 TRP A 655 30.440 -11.311 -8.765 1.00 0.00 H new ATOM 0 HE3 TRP A 655 27.766 -8.438 -12.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 655 28.350 -12.738 -9.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 655 26.299 -10.364 -12.892 1.00 0.00 H new ATOM 0 HH2 TRP A 655 26.583 -12.481 -11.672 1.00 0.00 H new ATOM 241 N SER A 656 27.568 -6.289 -10.340 1.00 0.00 N ATOM 242 CA SER A 656 26.139 -6.320 -10.074 1.00 0.00 C ATOM 243 C SER A 656 25.744 -7.645 -9.421 1.00 0.00 C ATOM 244 O SER A 656 25.183 -8.530 -10.071 1.00 0.00 O ATOM 245 CB SER A 656 25.366 -6.117 -11.379 1.00 0.00 C ATOM 246 OG SER A 656 26.250 -5.774 -12.438 1.00 0.00 O ATOM 0 H SER A 656 27.819 -6.458 -11.314 1.00 0.00 H new ATOM 0 HA SER A 656 25.891 -5.513 -9.385 1.00 0.00 H new ATOM 0 HB2 SER A 656 24.824 -7.028 -11.632 1.00 0.00 H new ATOM 0 HB3 SER A 656 24.623 -5.330 -11.249 1.00 0.00 H new ATOM 0 HG SER A 656 25.738 -5.650 -13.264 1.00 0.00 H new ATOM 252 N ILE A 657 26.047 -7.781 -8.135 1.00 0.00 N ATOM 253 CA ILE A 657 25.752 -9.011 -7.409 1.00 0.00 C ATOM 254 C ILE A 657 24.347 -8.953 -6.827 1.00 0.00 C ATOM 255 O ILE A 657 23.834 -9.941 -6.302 1.00 0.00 O ATOM 256 CB ILE A 657 26.768 -9.301 -6.272 1.00 0.00 C ATOM 257 CG1 ILE A 657 27.801 -8.177 -6.139 1.00 0.00 C ATOM 258 CG2 ILE A 657 27.467 -10.632 -6.517 1.00 0.00 C ATOM 259 CD1 ILE A 657 27.552 -7.262 -4.960 1.00 0.00 C ATOM 0 H ILE A 657 26.496 -7.057 -7.575 1.00 0.00 H new ATOM 0 HA ILE A 657 25.830 -9.824 -8.131 1.00 0.00 H new ATOM 0 HB ILE A 657 26.213 -9.355 -5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 657 28.794 -8.617 -6.044 1.00 0.00 H new ATOM 0 HG13 ILE A 657 27.801 -7.585 -7.054 1.00 0.00 H new ATOM 0 HG21 ILE A 657 28.177 -10.824 -5.712 1.00 0.00 H new ATOM 0 HG22 ILE A 657 26.727 -11.432 -6.546 1.00 0.00 H new ATOM 0 HG23 ILE A 657 27.998 -10.594 -7.468 1.00 0.00 H new ATOM 0 HD11 ILE A 657 28.322 -6.491 -4.929 1.00 0.00 H new ATOM 0 HD12 ILE A 657 26.573 -6.794 -5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 657 27.581 -7.841 -4.037 1.00 0.00 H new ATOM 271 N ASP A 658 23.737 -7.783 -6.921 1.00 0.00 N ATOM 272 CA ASP A 658 22.367 -7.591 -6.471 1.00 0.00 C ATOM 273 C ASP A 658 21.401 -8.155 -7.506 1.00 0.00 C ATOM 274 O ASP A 658 21.456 -7.782 -8.678 1.00 0.00 O ATOM 275 CB ASP A 658 22.067 -6.106 -6.250 1.00 0.00 C ATOM 276 CG ASP A 658 22.445 -5.628 -4.861 1.00 0.00 C ATOM 277 OD1 ASP A 658 21.923 -6.179 -3.872 1.00 0.00 O ATOM 278 OD2 ASP A 658 23.265 -4.687 -4.754 1.00 0.00 O ATOM 0 H ASP A 658 24.172 -6.946 -7.308 1.00 0.00 H new ATOM 0 HA ASP A 658 22.241 -8.116 -5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 658 22.607 -5.517 -6.991 1.00 0.00 H new ATOM 0 HB3 ASP A 658 21.004 -5.927 -6.414 1.00 0.00 H new ATOM 283 N PRO A 659 20.500 -9.055 -7.092 1.00 0.00 N ATOM 284 CA PRO A 659 19.520 -9.670 -7.996 1.00 0.00 C ATOM 285 C PRO A 659 18.419 -8.694 -8.409 1.00 0.00 C ATOM 286 O PRO A 659 17.532 -9.033 -9.192 1.00 0.00 O ATOM 287 CB PRO A 659 18.940 -10.810 -7.159 1.00 0.00 C ATOM 288 CG PRO A 659 19.108 -10.372 -5.745 1.00 0.00 C ATOM 289 CD PRO A 659 20.372 -9.555 -5.709 1.00 0.00 C ATOM 0 HA PRO A 659 19.973 -9.997 -8.932 1.00 0.00 H new ATOM 0 HB2 PRO A 659 17.890 -10.981 -7.398 1.00 0.00 H new ATOM 0 HB3 PRO A 659 19.466 -11.746 -7.348 1.00 0.00 H new ATOM 0 HG2 PRO A 659 18.253 -9.782 -5.416 1.00 0.00 H new ATOM 0 HG3 PRO A 659 19.179 -11.230 -5.077 1.00 0.00 H new ATOM 0 HD2 PRO A 659 20.301 -8.737 -4.992 1.00 0.00 H new ATOM 0 HD3 PRO A 659 21.232 -10.159 -5.420 1.00 0.00 H new ATOM 297 N GLY A 660 18.488 -7.486 -7.872 1.00 0.00 N ATOM 298 CA GLY A 660 17.509 -6.469 -8.188 1.00 0.00 C ATOM 299 C GLY A 660 17.235 -5.567 -7.006 1.00 0.00 C ATOM 300 O GLY A 660 16.299 -5.805 -6.242 1.00 0.00 O ATOM 0 H GLY A 660 19.212 -7.190 -7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 660 17.864 -5.871 -9.027 1.00 0.00 H new ATOM 0 HA3 GLY A 660 16.581 -6.944 -8.506 1.00 0.00 H new ATOM 304 N ALA A 661 18.056 -4.536 -6.849 1.00 0.00 N ATOM 305 CA ALA A 661 17.912 -3.606 -5.733 1.00 0.00 C ATOM 306 C ALA A 661 16.715 -2.689 -5.951 1.00 0.00 C ATOM 307 O ALA A 661 16.068 -2.251 -4.997 1.00 0.00 O ATOM 308 CB ALA A 661 19.181 -2.788 -5.555 1.00 0.00 C ATOM 0 H ALA A 661 18.829 -4.322 -7.479 1.00 0.00 H new ATOM 0 HA ALA A 661 17.742 -4.184 -4.825 1.00 0.00 H new ATOM 0 HB1 ALA A 661 19.056 -2.100 -4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 661 20.019 -3.455 -5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 661 19.379 -2.221 -6.465 1.00 0.00 H new ATOM 314 N ASP A 662 16.427 -2.404 -7.211 1.00 0.00 N ATOM 315 CA ASP A 662 15.277 -1.586 -7.572 1.00 0.00 C ATOM 316 C ASP A 662 13.998 -2.408 -7.462 1.00 0.00 C ATOM 317 O ASP A 662 13.818 -3.389 -8.185 1.00 0.00 O ATOM 318 CB ASP A 662 15.441 -1.052 -8.995 1.00 0.00 C ATOM 319 CG ASP A 662 14.168 -0.444 -9.544 1.00 0.00 C ATOM 320 OD1 ASP A 662 13.500 0.320 -8.818 1.00 0.00 O ATOM 321 OD2 ASP A 662 13.840 -0.717 -10.720 1.00 0.00 O ATOM 0 H ASP A 662 16.977 -2.729 -8.006 1.00 0.00 H new ATOM 0 HA ASP A 662 15.212 -0.742 -6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 662 16.231 -0.302 -9.008 1.00 0.00 H new ATOM 0 HB3 ASP A 662 15.762 -1.864 -9.648 1.00 0.00 H new ATOM 326 N LEU A 663 13.118 -2.014 -6.555 1.00 0.00 N ATOM 327 CA LEU A 663 11.903 -2.777 -6.291 1.00 0.00 C ATOM 328 C LEU A 663 10.734 -2.267 -7.129 1.00 0.00 C ATOM 329 O LEU A 663 9.649 -2.016 -6.610 1.00 0.00 O ATOM 330 CB LEU A 663 11.545 -2.717 -4.802 1.00 0.00 C ATOM 331 CG LEU A 663 12.732 -2.664 -3.837 1.00 0.00 C ATOM 332 CD1 LEU A 663 12.346 -1.934 -2.561 1.00 0.00 C ATOM 333 CD2 LEU A 663 13.230 -4.066 -3.517 1.00 0.00 C ATOM 0 H LEU A 663 13.220 -1.172 -5.989 1.00 0.00 H new ATOM 0 HA LEU A 663 12.096 -3.813 -6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 663 10.922 -1.839 -4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 663 10.940 -3.590 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 663 13.541 -2.116 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 663 13.201 -1.905 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 663 12.040 -0.916 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 663 11.520 -2.457 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 663 14.074 -4.004 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 663 12.427 -4.641 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 663 13.546 -4.558 -4.437 1.00 0.00 H new ATOM 345 N SER A 664 10.962 -2.126 -8.427 1.00 0.00 N ATOM 346 CA SER A 664 9.930 -1.663 -9.345 1.00 0.00 C ATOM 347 C SER A 664 8.823 -2.703 -9.482 1.00 0.00 C ATOM 348 O SER A 664 7.648 -2.409 -9.281 1.00 0.00 O ATOM 349 CB SER A 664 10.547 -1.388 -10.709 1.00 0.00 C ATOM 350 OG SER A 664 11.699 -2.191 -10.901 1.00 0.00 O ATOM 0 H SER A 664 11.858 -2.327 -8.871 1.00 0.00 H new ATOM 0 HA SER A 664 9.496 -0.746 -8.947 1.00 0.00 H new ATOM 0 HB2 SER A 664 9.818 -1.593 -11.493 1.00 0.00 H new ATOM 0 HB3 SER A 664 10.813 -0.334 -10.789 1.00 0.00 H new ATOM 0 HG SER A 664 12.449 -1.626 -11.182 1.00 0.00 H new ATOM 356 N GLN A 665 9.222 -3.927 -9.809 1.00 0.00 N ATOM 357 CA GLN A 665 8.280 -5.026 -9.993 1.00 0.00 C ATOM 358 C GLN A 665 7.704 -5.474 -8.657 1.00 0.00 C ATOM 359 O GLN A 665 6.697 -6.175 -8.605 1.00 0.00 O ATOM 360 CB GLN A 665 8.968 -6.208 -10.684 1.00 0.00 C ATOM 361 CG GLN A 665 10.122 -5.805 -11.590 1.00 0.00 C ATOM 362 CD GLN A 665 9.660 -5.376 -12.969 1.00 0.00 C ATOM 363 OE1 GLN A 665 8.973 -6.120 -13.667 1.00 0.00 O ATOM 364 NE2 GLN A 665 10.041 -4.177 -13.374 1.00 0.00 N ATOM 0 H GLN A 665 10.198 -4.185 -9.953 1.00 0.00 H new ATOM 0 HA GLN A 665 7.464 -4.670 -10.622 1.00 0.00 H new ATOM 0 HB2 GLN A 665 9.339 -6.895 -9.924 1.00 0.00 H new ATOM 0 HB3 GLN A 665 8.230 -6.752 -11.273 1.00 0.00 H new ATOM 0 HG2 GLN A 665 10.675 -4.988 -11.126 1.00 0.00 H new ATOM 0 HG3 GLN A 665 10.812 -6.643 -11.687 1.00 0.00 H new ATOM 0 HE21 GLN A 665 10.611 -3.590 -12.765 1.00 0.00 H new ATOM 0 HE22 GLN A 665 9.765 -3.839 -14.296 1.00 0.00 H new ATOM 373 N TYR A 666 8.350 -5.054 -7.580 1.00 0.00 N ATOM 374 CA TYR A 666 7.913 -5.407 -6.239 1.00 0.00 C ATOM 375 C TYR A 666 6.872 -4.414 -5.731 1.00 0.00 C ATOM 376 O TYR A 666 6.194 -4.666 -4.736 1.00 0.00 O ATOM 377 CB TYR A 666 9.108 -5.436 -5.285 1.00 0.00 C ATOM 378 CG TYR A 666 9.900 -6.722 -5.323 1.00 0.00 C ATOM 379 CD1 TYR A 666 9.307 -7.921 -5.695 1.00 0.00 C ATOM 380 CD2 TYR A 666 11.243 -6.737 -4.971 1.00 0.00 C ATOM 381 CE1 TYR A 666 10.028 -9.095 -5.718 1.00 0.00 C ATOM 382 CE2 TYR A 666 11.972 -7.909 -4.989 1.00 0.00 C ATOM 383 CZ TYR A 666 11.358 -9.085 -5.364 1.00 0.00 C ATOM 384 OH TYR A 666 12.075 -10.260 -5.371 1.00 0.00 O ATOM 0 H TYR A 666 9.183 -4.466 -7.610 1.00 0.00 H new ATOM 0 HA TYR A 666 7.460 -6.398 -6.278 1.00 0.00 H new ATOM 0 HB2 TYR A 666 9.772 -4.606 -5.527 1.00 0.00 H new ATOM 0 HB3 TYR A 666 8.751 -5.272 -4.268 1.00 0.00 H new ATOM 0 HD1 TYR A 666 8.263 -7.934 -5.971 1.00 0.00 H new ATOM 0 HD2 TYR A 666 11.725 -5.816 -4.678 1.00 0.00 H new ATOM 0 HE1 TYR A 666 9.552 -10.019 -6.012 1.00 0.00 H new ATOM 0 HE2 TYR A 666 13.016 -7.905 -4.711 1.00 0.00 H new ATOM 0 HH TYR A 666 12.908 -10.132 -5.871 1.00 0.00 H new ATOM 394 N LYS A 667 6.762 -3.285 -6.418 1.00 0.00 N ATOM 395 CA LYS A 667 5.829 -2.238 -6.030 1.00 0.00 C ATOM 396 C LYS A 667 4.400 -2.650 -6.349 1.00 0.00 C ATOM 397 O LYS A 667 4.080 -2.981 -7.492 1.00 0.00 O ATOM 398 CB LYS A 667 6.156 -0.930 -6.757 1.00 0.00 C ATOM 399 CG LYS A 667 7.140 -0.044 -6.015 1.00 0.00 C ATOM 400 CD LYS A 667 7.033 1.405 -6.462 1.00 0.00 C ATOM 401 CE LYS A 667 8.384 1.970 -6.866 1.00 0.00 C ATOM 402 NZ LYS A 667 8.285 2.831 -8.075 1.00 0.00 N ATOM 0 H LYS A 667 7.311 -3.071 -7.251 1.00 0.00 H new ATOM 0 HA LYS A 667 5.925 -2.084 -4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 667 6.563 -1.164 -7.741 1.00 0.00 H new ATOM 0 HB3 LYS A 667 5.232 -0.375 -6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 667 6.953 -0.110 -4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 667 8.155 -0.404 -6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 667 6.343 1.476 -7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 667 6.615 2.005 -5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 667 8.797 2.549 -6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 667 9.077 1.151 -7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 9.227 3.197 -8.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 7.915 2.272 -8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 7.643 3.627 -7.883 1.00 0.00 H new ATOM 416 N MET A 668 3.546 -2.642 -5.340 1.00 0.00 N ATOM 417 CA MET A 668 2.139 -2.920 -5.553 1.00 0.00 C ATOM 418 C MET A 668 1.413 -1.632 -5.917 1.00 0.00 C ATOM 419 O MET A 668 1.211 -0.757 -5.076 1.00 0.00 O ATOM 420 CB MET A 668 1.499 -3.577 -4.320 1.00 0.00 C ATOM 421 CG MET A 668 1.752 -2.847 -3.011 1.00 0.00 C ATOM 422 SD MET A 668 0.821 -3.552 -1.634 1.00 0.00 S ATOM 423 CE MET A 668 1.951 -4.829 -1.086 1.00 0.00 C ATOM 0 H MET A 668 3.801 -2.447 -4.372 1.00 0.00 H new ATOM 0 HA MET A 668 2.050 -3.628 -6.377 1.00 0.00 H new ATOM 0 HB2 MET A 668 0.423 -3.647 -4.479 1.00 0.00 H new ATOM 0 HB3 MET A 668 1.875 -4.596 -4.231 1.00 0.00 H new ATOM 0 HG2 MET A 668 2.817 -2.880 -2.780 1.00 0.00 H new ATOM 0 HG3 MET A 668 1.484 -1.797 -3.127 1.00 0.00 H new ATOM 0 HE1 MET A 668 1.411 -5.769 -0.975 1.00 0.00 H new ATOM 0 HE2 MET A 668 2.746 -4.951 -1.822 1.00 0.00 H new ATOM 0 HE3 MET A 668 2.384 -4.544 -0.127 1.00 0.00 H new ATOM 433 N ASP A 669 1.062 -1.506 -7.187 1.00 0.00 N ATOM 434 CA ASP A 669 0.365 -0.325 -7.673 1.00 0.00 C ATOM 435 C ASP A 669 -1.024 -0.244 -7.059 1.00 0.00 C ATOM 436 O ASP A 669 -1.897 -1.060 -7.360 1.00 0.00 O ATOM 437 CB ASP A 669 0.268 -0.350 -9.199 1.00 0.00 C ATOM 438 CG ASP A 669 -0.114 0.994 -9.780 1.00 0.00 C ATOM 439 OD1 ASP A 669 0.773 1.862 -9.924 1.00 0.00 O ATOM 440 OD2 ASP A 669 -1.303 1.186 -10.108 1.00 0.00 O ATOM 0 H ASP A 669 1.249 -2.209 -7.902 1.00 0.00 H new ATOM 0 HA ASP A 669 0.932 0.558 -7.377 1.00 0.00 H new ATOM 0 HB2 ASP A 669 1.226 -0.663 -9.615 1.00 0.00 H new ATOM 0 HB3 ASP A 669 -0.469 -1.095 -9.500 1.00 0.00 H new ATOM 445 N VAL A 670 -1.227 0.748 -6.207 1.00 0.00 N ATOM 446 CA VAL A 670 -2.466 0.856 -5.458 1.00 0.00 C ATOM 447 C VAL A 670 -3.544 1.532 -6.293 1.00 0.00 C ATOM 448 O VAL A 670 -3.631 2.759 -6.354 1.00 0.00 O ATOM 449 CB VAL A 670 -2.282 1.645 -4.141 1.00 0.00 C ATOM 450 CG1 VAL A 670 -3.216 1.109 -3.065 1.00 0.00 C ATOM 451 CG2 VAL A 670 -0.836 1.591 -3.665 1.00 0.00 C ATOM 0 H VAL A 670 -0.551 1.488 -6.018 1.00 0.00 H new ATOM 0 HA VAL A 670 -2.771 -0.161 -5.212 1.00 0.00 H new ATOM 0 HB VAL A 670 -2.534 2.688 -4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -3.074 1.675 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -4.249 1.210 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -2.995 0.058 -2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -0.737 2.154 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -0.548 0.554 -3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 670 -0.186 2.026 -4.425 1.00 0.00 H new ATOM 461 N THR A 671 -4.356 0.713 -6.945 1.00 0.00 N ATOM 462 CA THR A 671 -5.458 1.203 -7.755 1.00 0.00 C ATOM 463 C THR A 671 -6.733 1.281 -6.923 1.00 0.00 C ATOM 464 O THR A 671 -7.259 0.262 -6.482 1.00 0.00 O ATOM 465 CB THR A 671 -5.687 0.293 -8.974 1.00 0.00 C ATOM 466 OG1 THR A 671 -4.451 -0.342 -9.330 1.00 0.00 O ATOM 467 CG2 THR A 671 -6.213 1.087 -10.159 1.00 0.00 C ATOM 0 H THR A 671 -4.270 -0.303 -6.927 1.00 0.00 H new ATOM 0 HA THR A 671 -5.200 2.201 -8.109 1.00 0.00 H new ATOM 0 HB THR A 671 -6.431 -0.459 -8.711 1.00 0.00 H new ATOM 0 HG1 THR A 671 -4.594 -0.924 -10.105 1.00 0.00 H new ATOM 0 HG21 THR A 671 -6.366 0.418 -11.006 1.00 0.00 H new ATOM 0 HG22 THR A 671 -7.160 1.556 -9.891 1.00 0.00 H new ATOM 0 HG23 THR A 671 -5.491 1.857 -10.430 1.00 0.00 H new ATOM 475 N VAL A 672 -7.212 2.491 -6.700 1.00 0.00 N ATOM 476 CA VAL A 672 -8.399 2.704 -5.884 1.00 0.00 C ATOM 477 C VAL A 672 -9.659 2.616 -6.735 1.00 0.00 C ATOM 478 O VAL A 672 -9.701 3.127 -7.856 1.00 0.00 O ATOM 479 CB VAL A 672 -8.361 4.071 -5.168 1.00 0.00 C ATOM 480 CG1 VAL A 672 -9.210 4.042 -3.906 1.00 0.00 C ATOM 481 CG2 VAL A 672 -6.931 4.469 -4.831 1.00 0.00 C ATOM 0 H VAL A 672 -6.798 3.345 -7.073 1.00 0.00 H new ATOM 0 HA VAL A 672 -8.413 1.918 -5.129 1.00 0.00 H new ATOM 0 HB VAL A 672 -8.774 4.816 -5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -9.169 5.015 -3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -10.243 3.811 -4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -8.828 3.279 -3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -6.931 5.436 -4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -6.489 3.718 -4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -6.347 4.538 -5.749 1.00 0.00 H new ATOM 491 N ILE A 673 -10.677 1.954 -6.208 1.00 0.00 N ATOM 492 CA ILE A 673 -11.942 1.811 -6.913 1.00 0.00 C ATOM 493 C ILE A 673 -13.037 2.623 -6.238 1.00 0.00 C ATOM 494 O ILE A 673 -13.195 2.568 -5.017 1.00 0.00 O ATOM 495 CB ILE A 673 -12.380 0.336 -7.009 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.429 -0.429 -7.929 1.00 0.00 C ATOM 497 CG2 ILE A 673 -13.812 0.241 -7.521 1.00 0.00 C ATOM 498 CD1 ILE A 673 -10.585 -1.462 -7.216 1.00 0.00 C ATOM 0 H ILE A 673 -10.652 1.506 -5.292 1.00 0.00 H new ATOM 0 HA ILE A 673 -11.785 2.190 -7.923 1.00 0.00 H new ATOM 0 HB ILE A 673 -12.342 -0.111 -6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -12.011 -0.924 -8.707 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -10.771 0.282 -8.427 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -14.107 -0.806 -7.584 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -14.479 0.766 -6.837 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -13.876 0.696 -8.510 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -9.937 -1.962 -7.936 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -9.975 -0.972 -6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -11.234 -2.197 -6.741 1.00 0.00 H new ATOM 510 N ASP A 674 -13.785 3.375 -7.039 1.00 0.00 N ATOM 511 CA ASP A 674 -14.878 4.188 -6.529 1.00 0.00 C ATOM 512 C ASP A 674 -16.034 3.312 -6.065 1.00 0.00 C ATOM 513 O ASP A 674 -16.894 2.928 -6.859 1.00 0.00 O ATOM 514 CB ASP A 674 -15.373 5.170 -7.592 1.00 0.00 C ATOM 515 CG ASP A 674 -16.160 6.324 -6.998 1.00 0.00 C ATOM 516 OD1 ASP A 674 -17.212 6.080 -6.371 1.00 0.00 O ATOM 517 OD2 ASP A 674 -15.723 7.488 -7.151 1.00 0.00 O ATOM 0 H ASP A 674 -13.651 3.437 -8.048 1.00 0.00 H new ATOM 0 HA ASP A 674 -14.498 4.753 -5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -14.519 5.563 -8.144 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -15.999 4.639 -8.309 1.00 0.00 H new ATOM 522 N THR A 675 -16.030 3.001 -4.776 1.00 0.00 N ATOM 523 CA THR A 675 -17.090 2.229 -4.140 1.00 0.00 C ATOM 524 C THR A 675 -17.008 0.738 -4.490 1.00 0.00 C ATOM 525 O THR A 675 -16.402 0.343 -5.486 1.00 0.00 O ATOM 526 CB THR A 675 -18.491 2.787 -4.486 1.00 0.00 C ATOM 527 OG1 THR A 675 -18.447 4.224 -4.534 1.00 0.00 O ATOM 528 CG2 THR A 675 -19.517 2.351 -3.450 1.00 0.00 C ATOM 0 H THR A 675 -15.285 3.279 -4.137 1.00 0.00 H new ATOM 0 HA THR A 675 -16.939 2.328 -3.065 1.00 0.00 H new ATOM 0 HB THR A 675 -18.784 2.394 -5.460 1.00 0.00 H new ATOM 0 HG1 THR A 675 -19.336 4.571 -4.755 1.00 0.00 H new ATOM 0 HG21 THR A 675 -20.494 2.755 -3.714 1.00 0.00 H new ATOM 0 HG22 THR A 675 -19.569 1.263 -3.425 1.00 0.00 H new ATOM 0 HG23 THR A 675 -19.224 2.723 -2.468 1.00 0.00 H new ATOM 536 N LYS A 676 -17.612 -0.084 -3.640 1.00 0.00 N ATOM 537 CA LYS A 676 -17.615 -1.535 -3.803 1.00 0.00 C ATOM 538 C LYS A 676 -18.424 -1.969 -5.022 1.00 0.00 C ATOM 539 O LYS A 676 -18.299 -3.102 -5.490 1.00 0.00 O ATOM 540 CB LYS A 676 -18.198 -2.190 -2.549 1.00 0.00 C ATOM 541 CG LYS A 676 -19.403 -1.449 -1.986 1.00 0.00 C ATOM 542 CD LYS A 676 -20.177 -2.299 -0.991 1.00 0.00 C ATOM 543 CE LYS A 676 -21.507 -2.768 -1.566 1.00 0.00 C ATOM 544 NZ LYS A 676 -22.382 -1.633 -1.973 1.00 0.00 N ATOM 0 H LYS A 676 -18.116 0.238 -2.814 1.00 0.00 H new ATOM 0 HA LYS A 676 -16.584 -1.854 -3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -18.488 -3.214 -2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -17.424 -2.245 -1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -19.070 -0.532 -1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -20.062 -1.155 -2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -19.578 -3.164 -0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -20.356 -1.724 -0.083 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -21.321 -3.408 -2.429 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -22.026 -3.376 -0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -23.209 -1.590 -1.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -21.849 -0.742 -1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -22.699 -1.773 -2.953 1.00 0.00 H new ATOM 558 N ASP A 677 -19.242 -1.065 -5.532 1.00 0.00 N ATOM 559 CA ASP A 677 -20.176 -1.384 -6.604 1.00 0.00 C ATOM 560 C ASP A 677 -19.572 -1.105 -7.971 1.00 0.00 C ATOM 561 O ASP A 677 -18.359 -1.191 -8.159 1.00 0.00 O ATOM 562 CB ASP A 677 -21.471 -0.591 -6.416 1.00 0.00 C ATOM 563 CG ASP A 677 -22.087 -0.826 -5.053 1.00 0.00 C ATOM 564 OD1 ASP A 677 -22.196 -1.999 -4.639 1.00 0.00 O ATOM 565 OD2 ASP A 677 -22.442 0.158 -4.376 1.00 0.00 O ATOM 0 H ASP A 677 -19.280 -0.095 -5.219 1.00 0.00 H new ATOM 0 HA ASP A 677 -20.398 -2.450 -6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 677 -21.267 0.472 -6.543 1.00 0.00 H new ATOM 0 HB3 ASP A 677 -22.185 -0.873 -7.190 1.00 0.00 H new ATOM 570 N GLY A 678 -20.433 -0.818 -8.929 1.00 0.00 N ATOM 571 CA GLY A 678 -19.985 -0.494 -10.271 1.00 0.00 C ATOM 572 C GLY A 678 -20.123 -1.665 -11.219 1.00 0.00 C ATOM 573 O GLY A 678 -20.667 -1.529 -12.316 1.00 0.00 O ATOM 0 H GLY A 678 -21.445 -0.802 -8.804 1.00 0.00 H new ATOM 0 HA2 GLY A 678 -20.562 0.349 -10.651 1.00 0.00 H new ATOM 0 HA3 GLY A 678 -18.943 -0.177 -10.237 1.00 0.00 H new ATOM 577 N SER A 679 -19.636 -2.820 -10.796 1.00 0.00 N ATOM 578 CA SER A 679 -19.712 -4.026 -11.608 1.00 0.00 C ATOM 579 C SER A 679 -21.103 -4.642 -11.517 1.00 0.00 C ATOM 580 O SER A 679 -21.599 -5.244 -12.471 1.00 0.00 O ATOM 581 CB SER A 679 -18.651 -5.022 -11.150 1.00 0.00 C ATOM 582 OG SER A 679 -17.634 -4.359 -10.411 1.00 0.00 O ATOM 0 H SER A 679 -19.182 -2.949 -9.892 1.00 0.00 H new ATOM 0 HA SER A 679 -19.525 -3.766 -12.650 1.00 0.00 H new ATOM 0 HB2 SER A 679 -19.111 -5.795 -10.535 1.00 0.00 H new ATOM 0 HB3 SER A 679 -18.214 -5.521 -12.015 1.00 0.00 H new ATOM 0 HG SER A 679 -16.886 -4.974 -10.260 1.00 0.00 H new ATOM 588 N GLN A 680 -21.729 -4.483 -10.362 1.00 0.00 N ATOM 589 CA GLN A 680 -23.107 -4.907 -10.181 1.00 0.00 C ATOM 590 C GLN A 680 -24.022 -3.710 -10.394 1.00 0.00 C ATOM 591 O GLN A 680 -24.315 -2.964 -9.459 1.00 0.00 O ATOM 592 CB GLN A 680 -23.334 -5.508 -8.784 1.00 0.00 C ATOM 593 CG GLN A 680 -22.065 -5.971 -8.081 1.00 0.00 C ATOM 594 CD GLN A 680 -21.449 -4.880 -7.231 1.00 0.00 C ATOM 595 OE1 GLN A 680 -20.341 -4.413 -7.511 1.00 0.00 O ATOM 596 NE2 GLN A 680 -22.163 -4.466 -6.194 1.00 0.00 N ATOM 0 H GLN A 680 -21.304 -4.063 -9.535 1.00 0.00 H new ATOM 0 HA GLN A 680 -23.333 -5.685 -10.910 1.00 0.00 H new ATOM 0 HB2 GLN A 680 -23.830 -4.765 -8.159 1.00 0.00 H new ATOM 0 HB3 GLN A 680 -24.014 -6.355 -8.873 1.00 0.00 H new ATOM 0 HG2 GLN A 680 -22.294 -6.832 -7.453 1.00 0.00 H new ATOM 0 HG3 GLN A 680 -21.340 -6.302 -8.825 1.00 0.00 H new ATOM 0 HE21 GLN A 680 -23.074 -4.883 -6.003 1.00 0.00 H new ATOM 0 HE22 GLN A 680 -21.801 -3.730 -5.587 1.00 0.00 H new ATOM 605 N SER A 681 -24.461 -3.523 -11.630 1.00 0.00 N ATOM 606 CA SER A 681 -25.279 -2.372 -11.998 1.00 0.00 C ATOM 607 C SER A 681 -26.729 -2.526 -11.523 1.00 0.00 C ATOM 608 O SER A 681 -27.667 -2.127 -12.215 1.00 0.00 O ATOM 609 CB SER A 681 -25.230 -2.191 -13.516 1.00 0.00 C ATOM 610 OG SER A 681 -24.406 -3.187 -14.109 1.00 0.00 O ATOM 0 H SER A 681 -24.263 -4.159 -12.403 1.00 0.00 H new ATOM 0 HA SER A 681 -24.874 -1.488 -11.504 1.00 0.00 H new ATOM 0 HB2 SER A 681 -26.237 -2.251 -13.928 1.00 0.00 H new ATOM 0 HB3 SER A 681 -24.845 -1.200 -13.758 1.00 0.00 H new ATOM 0 HG SER A 681 -24.386 -3.059 -15.080 1.00 0.00 H new ATOM 616 N LYS A 682 -26.903 -3.101 -10.338 1.00 0.00 N ATOM 617 CA LYS A 682 -28.221 -3.267 -9.744 1.00 0.00 C ATOM 618 C LYS A 682 -28.426 -2.232 -8.646 1.00 0.00 C ATOM 619 O LYS A 682 -29.453 -2.214 -7.968 1.00 0.00 O ATOM 620 CB LYS A 682 -28.371 -4.676 -9.168 1.00 0.00 C ATOM 621 CG LYS A 682 -29.711 -5.321 -9.473 1.00 0.00 C ATOM 622 CD LYS A 682 -29.740 -6.777 -9.038 1.00 0.00 C ATOM 623 CE LYS A 682 -28.972 -7.665 -10.008 1.00 0.00 C ATOM 624 NZ LYS A 682 -29.323 -9.102 -9.850 1.00 0.00 N ATOM 0 H LYS A 682 -26.139 -3.462 -9.767 1.00 0.00 H new ATOM 0 HA LYS A 682 -28.976 -3.124 -10.517 1.00 0.00 H new ATOM 0 HB2 LYS A 682 -27.575 -5.307 -9.564 1.00 0.00 H new ATOM 0 HB3 LYS A 682 -28.236 -4.633 -8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 682 -30.504 -4.772 -8.965 1.00 0.00 H new ATOM 0 HG3 LYS A 682 -29.913 -5.255 -10.542 1.00 0.00 H new ATOM 0 HD2 LYS A 682 -29.310 -6.868 -8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 682 -30.773 -7.117 -8.972 1.00 0.00 H new ATOM 0 HE2 LYS A 682 -29.183 -7.351 -11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 682 -27.902 -7.534 -9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 682 -28.777 -9.669 -10.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 682 -29.098 -9.410 -8.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 682 -30.339 -9.233 -10.028 1.00 0.00 H new ATOM 638 N LEU A 683 -27.425 -1.380 -8.475 1.00 0.00 N ATOM 639 CA LEU A 683 -27.468 -0.336 -7.466 1.00 0.00 C ATOM 640 C LEU A 683 -27.490 1.039 -8.125 1.00 0.00 C ATOM 641 O LEU A 683 -26.550 1.828 -7.985 1.00 0.00 O ATOM 642 CB LEU A 683 -26.266 -0.457 -6.527 1.00 0.00 C ATOM 643 CG LEU A 683 -26.595 -0.912 -5.104 1.00 0.00 C ATOM 644 CD1 LEU A 683 -26.166 -2.356 -4.889 1.00 0.00 C ATOM 645 CD2 LEU A 683 -25.929 0.005 -4.090 1.00 0.00 C ATOM 0 H LEU A 683 -26.568 -1.394 -9.028 1.00 0.00 H new ATOM 0 HA LEU A 683 -28.380 -0.454 -6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 683 -25.555 -1.160 -6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 683 -25.766 0.510 -6.476 1.00 0.00 H new ATOM 0 HG LEU A 683 -27.674 -0.856 -4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 683 -26.409 -2.660 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 683 -26.690 -3.000 -5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 683 -25.091 -2.444 -5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 683 -26.172 -0.330 -3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 683 -24.848 -0.021 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 683 -26.289 1.024 -4.230 1.00 0.00 H new ATOM 657 N GLY A 684 -28.564 1.315 -8.848 1.00 0.00 N ATOM 658 CA GLY A 684 -28.716 2.596 -9.502 1.00 0.00 C ATOM 659 C GLY A 684 -29.883 3.376 -8.934 1.00 0.00 C ATOM 660 O GLY A 684 -29.812 4.596 -8.790 1.00 0.00 O ATOM 0 H GLY A 684 -29.339 0.668 -8.994 1.00 0.00 H new ATOM 0 HA2 GLY A 684 -27.800 3.175 -9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 684 -28.865 2.444 -10.571 1.00 0.00 H new ATOM 664 N GLY A 685 -30.954 2.667 -8.608 1.00 0.00 N ATOM 665 CA GLY A 685 -32.122 3.299 -8.033 1.00 0.00 C ATOM 666 C GLY A 685 -33.308 3.265 -8.973 1.00 0.00 C ATOM 667 O GLY A 685 -33.749 2.193 -9.389 1.00 0.00 O ATOM 0 H GLY A 685 -31.034 1.658 -8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 685 -32.384 2.797 -7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 685 -31.888 4.334 -7.783 1.00 0.00 H new ATOM 671 N GLY A 901 -33.818 4.440 -9.315 1.00 0.00 N ATOM 672 CA GLY A 901 -34.941 4.529 -10.226 1.00 0.00 C ATOM 673 C GLY A 901 -36.269 4.305 -9.537 1.00 0.00 C ATOM 674 O GLY A 901 -37.211 3.791 -10.143 1.00 0.00 O ATOM 0 H GLY A 901 -33.472 5.337 -8.976 1.00 0.00 H new ATOM 0 HA2 GLY A 901 -34.943 5.511 -10.700 1.00 0.00 H new ATOM 0 HA3 GLY A 901 -34.819 3.792 -11.020 1.00 0.00 H new ATOM 678 N GLY A 902 -36.343 4.679 -8.267 1.00 0.00 N ATOM 679 CA GLY A 902 -37.569 4.512 -7.512 1.00 0.00 C ATOM 680 C GLY A 902 -37.730 3.094 -7.011 1.00 0.00 C ATOM 681 O GLY A 902 -37.590 2.828 -5.817 1.00 0.00 O ATOM 0 H GLY A 902 -35.573 5.097 -7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 902 -37.572 5.199 -6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 902 -38.421 4.775 -8.139 1.00 0.00 H new ATOM 685 N SER A 903 -38.019 2.181 -7.925 1.00 0.00 N ATOM 686 CA SER A 903 -38.131 0.771 -7.594 1.00 0.00 C ATOM 687 C SER A 903 -37.129 -0.035 -8.416 1.00 0.00 C ATOM 688 O SER A 903 -37.087 0.074 -9.641 1.00 0.00 O ATOM 689 CB SER A 903 -39.556 0.274 -7.850 1.00 0.00 C ATOM 690 OG SER A 903 -40.517 1.204 -7.375 1.00 0.00 O ATOM 0 H SER A 903 -38.181 2.395 -8.909 1.00 0.00 H new ATOM 0 HA SER A 903 -37.907 0.637 -6.536 1.00 0.00 H new ATOM 0 HB2 SER A 903 -39.701 0.111 -8.918 1.00 0.00 H new ATOM 0 HB3 SER A 903 -39.702 -0.688 -7.358 1.00 0.00 H new ATOM 0 HG SER A 903 -41.418 0.863 -7.553 1.00 0.00 H new ATOM 696 N GLY A 904 -36.315 -0.830 -7.734 1.00 0.00 N ATOM 697 CA GLY A 904 -35.302 -1.619 -8.409 1.00 0.00 C ATOM 698 C GLY A 904 -35.815 -2.969 -8.873 1.00 0.00 C ATOM 699 O GLY A 904 -35.060 -3.942 -8.922 1.00 0.00 O ATOM 0 H GLY A 904 -36.338 -0.943 -6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 904 -34.929 -1.063 -9.269 1.00 0.00 H new ATOM 0 HA3 GLY A 904 -34.458 -1.769 -7.736 1.00 0.00 H new ATOM 703 N GLY A 905 -37.091 -3.030 -9.226 1.00 0.00 N ATOM 704 CA GLY A 905 -37.680 -4.274 -9.680 1.00 0.00 C ATOM 705 C GLY A 905 -38.122 -5.145 -8.525 1.00 0.00 C ATOM 706 O GLY A 905 -39.306 -5.196 -8.186 1.00 0.00 O ATOM 0 H GLY A 905 -37.732 -2.237 -9.206 1.00 0.00 H new ATOM 0 HA2 GLY A 905 -38.536 -4.058 -10.320 1.00 0.00 H new ATOM 0 HA3 GLY A 905 -36.957 -4.817 -10.288 1.00 0.00 H new ATOM 710 N HIS A 906 -37.165 -5.818 -7.911 1.00 0.00 N ATOM 711 CA HIS A 906 -37.444 -6.674 -6.772 1.00 0.00 C ATOM 712 C HIS A 906 -36.980 -5.998 -5.494 1.00 0.00 C ATOM 713 O HIS A 906 -36.004 -5.243 -5.502 1.00 0.00 O ATOM 714 CB HIS A 906 -36.756 -8.030 -6.941 1.00 0.00 C ATOM 715 CG HIS A 906 -37.566 -9.017 -7.724 1.00 0.00 C ATOM 716 ND1 HIS A 906 -37.479 -9.178 -9.092 1.00 0.00 N ATOM 717 CD2 HIS A 906 -38.503 -9.902 -7.303 1.00 0.00 C ATOM 718 CE1 HIS A 906 -38.347 -10.134 -9.450 1.00 0.00 C ATOM 719 NE2 HIS A 906 -38.994 -10.606 -8.399 1.00 0.00 N ATOM 0 H HIS A 906 -36.183 -5.788 -8.184 1.00 0.00 H new ATOM 0 HA HIS A 906 -38.519 -6.842 -6.712 1.00 0.00 H new ATOM 0 HB2 HIS A 906 -35.797 -7.883 -7.438 1.00 0.00 H new ATOM 0 HB3 HIS A 906 -36.544 -8.446 -5.956 1.00 0.00 H new ATOM 0 HD2 HIS A 906 -38.819 -10.039 -6.279 1.00 0.00 H new ATOM 0 HE1 HIS A 906 -38.498 -10.474 -10.464 1.00 0.00 H new ATOM 0 HE2 HIS A 906 -39.706 -11.336 -8.392 1.00 0.00 H new ATOM 727 N MET A 907 -37.684 -6.261 -4.404 1.00 0.00 N ATOM 728 CA MET A 907 -37.364 -5.644 -3.123 1.00 0.00 C ATOM 729 C MET A 907 -36.155 -6.315 -2.488 1.00 0.00 C ATOM 730 O MET A 907 -36.188 -7.508 -2.176 1.00 0.00 O ATOM 731 CB MET A 907 -38.560 -5.720 -2.176 1.00 0.00 C ATOM 732 CG MET A 907 -39.160 -4.362 -1.842 1.00 0.00 C ATOM 733 SD MET A 907 -39.652 -3.431 -3.310 1.00 0.00 S ATOM 734 CE MET A 907 -41.225 -4.199 -3.694 1.00 0.00 C ATOM 0 H MET A 907 -38.481 -6.897 -4.379 1.00 0.00 H new ATOM 0 HA MET A 907 -37.126 -4.596 -3.305 1.00 0.00 H new ATOM 0 HB2 MET A 907 -39.330 -6.347 -2.626 1.00 0.00 H new ATOM 0 HB3 MET A 907 -38.251 -6.208 -1.252 1.00 0.00 H new ATOM 0 HG2 MET A 907 -40.029 -4.502 -1.199 1.00 0.00 H new ATOM 0 HG3 MET A 907 -38.434 -3.779 -1.275 1.00 0.00 H new ATOM 0 HE1 MET A 907 -41.653 -3.729 -4.580 1.00 0.00 H new ATOM 0 HE2 MET A 907 -41.074 -5.262 -3.884 1.00 0.00 H new ATOM 0 HE3 MET A 907 -41.906 -4.074 -2.852 1.00 0.00 H new ATOM 744 N GLY A 908 -35.094 -5.546 -2.305 1.00 0.00 N ATOM 745 CA GLY A 908 -33.878 -6.078 -1.731 1.00 0.00 C ATOM 746 C GLY A 908 -32.679 -5.863 -2.632 1.00 0.00 C ATOM 747 O GLY A 908 -32.804 -5.869 -3.861 1.00 0.00 O ATOM 0 H GLY A 908 -35.054 -4.556 -2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 908 -33.696 -5.604 -0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 908 -34.003 -7.144 -1.543 1.00 0.00 H new ATOM 751 N SER A 909 -31.520 -5.661 -2.027 1.00 0.00 N ATOM 752 CA SER A 909 -30.292 -5.461 -2.776 1.00 0.00 C ATOM 753 C SER A 909 -29.756 -6.794 -3.293 1.00 0.00 C ATOM 754 O SER A 909 -29.245 -7.608 -2.524 1.00 0.00 O ATOM 755 CB SER A 909 -29.255 -4.777 -1.886 1.00 0.00 C ATOM 756 OG SER A 909 -29.884 -3.874 -0.987 1.00 0.00 O ATOM 0 H SER A 909 -31.405 -5.631 -1.014 1.00 0.00 H new ATOM 0 HA SER A 909 -30.500 -4.824 -3.635 1.00 0.00 H new ATOM 0 HB2 SER A 909 -28.698 -5.527 -1.325 1.00 0.00 H new ATOM 0 HB3 SER A 909 -28.535 -4.241 -2.504 1.00 0.00 H new ATOM 0 HG SER A 909 -29.205 -3.447 -0.424 1.00 0.00 H new ATOM 762 N GLY A 910 -29.896 -7.009 -4.597 1.00 0.00 N ATOM 763 CA GLY A 910 -29.428 -8.239 -5.209 1.00 0.00 C ATOM 764 C GLY A 910 -27.917 -8.320 -5.262 1.00 0.00 C ATOM 765 O GLY A 910 -27.238 -7.297 -5.386 1.00 0.00 O ATOM 0 H GLY A 910 -30.328 -6.349 -5.244 1.00 0.00 H new ATOM 0 HA2 GLY A 910 -29.815 -9.090 -4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 910 -29.829 -8.314 -6.220 1.00 0.00 H new ATOM 769 N GLY A 911 -27.393 -9.535 -5.188 1.00 0.00 N ATOM 770 CA GLY A 911 -25.957 -9.721 -5.163 1.00 0.00 C ATOM 771 C GLY A 911 -25.373 -9.366 -3.813 1.00 0.00 C ATOM 772 O GLY A 911 -24.625 -8.394 -3.685 1.00 0.00 O ATOM 0 H GLY A 911 -27.938 -10.396 -5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 911 -25.720 -10.758 -5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 911 -25.496 -9.103 -5.933 1.00 0.00 H new ATOM 776 N LEU A 18 -25.704 -10.168 -2.807 1.00 0.00 N ATOM 777 CA LEU A 18 -25.324 -9.881 -1.427 1.00 0.00 C ATOM 778 C LEU A 18 -23.873 -10.270 -1.151 1.00 0.00 C ATOM 779 O LEU A 18 -23.437 -10.305 0.002 1.00 0.00 O ATOM 780 CB LEU A 18 -26.256 -10.612 -0.455 1.00 0.00 C ATOM 781 CG LEU A 18 -27.474 -9.807 0.003 1.00 0.00 C ATOM 782 CD1 LEU A 18 -28.481 -10.715 0.693 1.00 0.00 C ATOM 783 CD2 LEU A 18 -27.048 -8.679 0.930 1.00 0.00 C ATOM 0 H LEU A 18 -26.239 -11.029 -2.922 1.00 0.00 H new ATOM 0 HA LEU A 18 -25.418 -8.806 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -26.604 -11.530 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -25.682 -10.905 0.424 1.00 0.00 H new ATOM 0 HG LEU A 18 -27.950 -9.369 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -29.341 -10.127 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -28.808 -11.489 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -28.016 -11.180 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -27.926 -8.117 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -26.550 -9.096 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -26.362 -8.015 0.404 1.00 0.00 H new ATOM 795 N SER A 19 -23.137 -10.582 -2.206 1.00 0.00 N ATOM 796 CA SER A 19 -21.721 -10.883 -2.087 1.00 0.00 C ATOM 797 C SER A 19 -20.889 -9.616 -2.280 1.00 0.00 C ATOM 798 O SER A 19 -19.770 -9.516 -1.774 1.00 0.00 O ATOM 799 CB SER A 19 -21.332 -11.940 -3.121 1.00 0.00 C ATOM 800 OG SER A 19 -22.460 -12.320 -3.901 1.00 0.00 O ATOM 0 H SER A 19 -23.500 -10.633 -3.158 1.00 0.00 H new ATOM 0 HA SER A 19 -21.522 -11.273 -1.089 1.00 0.00 H new ATOM 0 HB2 SER A 19 -20.549 -11.549 -3.771 1.00 0.00 H new ATOM 0 HB3 SER A 19 -20.921 -12.815 -2.617 1.00 0.00 H new ATOM 0 HG SER A 19 -22.191 -12.996 -4.558 1.00 0.00 H new ATOM 806 N TRP A 20 -21.474 -8.646 -2.998 1.00 0.00 N ATOM 807 CA TRP A 20 -20.808 -7.381 -3.320 1.00 0.00 C ATOM 808 C TRP A 20 -19.405 -7.630 -3.872 1.00 0.00 C ATOM 809 O TRP A 20 -19.242 -8.194 -4.956 1.00 0.00 O ATOM 810 CB TRP A 20 -20.743 -6.460 -2.089 1.00 0.00 C ATOM 811 CG TRP A 20 -21.950 -6.538 -1.204 1.00 0.00 C ATOM 812 CD1 TRP A 20 -23.253 -6.360 -1.569 1.00 0.00 C ATOM 813 CD2 TRP A 20 -21.959 -6.812 0.202 1.00 0.00 C ATOM 814 NE1 TRP A 20 -24.074 -6.508 -0.474 1.00 0.00 N ATOM 815 CE2 TRP A 20 -23.302 -6.787 0.625 1.00 0.00 C ATOM 816 CE3 TRP A 20 -20.959 -7.079 1.144 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -23.669 -7.019 1.951 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -21.326 -7.306 2.457 1.00 0.00 C ATOM 819 CH2 TRP A 20 -22.669 -7.276 2.850 1.00 0.00 C ATOM 0 H TRP A 20 -22.421 -8.719 -3.370 1.00 0.00 H new ATOM 0 HA TRP A 20 -21.398 -6.882 -4.088 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -19.859 -6.715 -1.504 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -20.617 -5.431 -2.425 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -23.590 -6.136 -2.570 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -25.091 -6.424 -0.479 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -19.920 -7.107 0.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -24.704 -6.997 2.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -20.563 -7.510 3.193 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -22.922 -7.459 3.884 1.00 0.00 H new ATOM 830 N LYS A 21 -18.401 -7.210 -3.120 1.00 0.00 N ATOM 831 CA LYS A 21 -17.016 -7.464 -3.471 1.00 0.00 C ATOM 832 C LYS A 21 -16.367 -8.291 -2.375 1.00 0.00 C ATOM 833 O LYS A 21 -16.809 -8.257 -1.232 1.00 0.00 O ATOM 834 CB LYS A 21 -16.265 -6.150 -3.672 1.00 0.00 C ATOM 835 CG LYS A 21 -15.709 -5.980 -5.077 1.00 0.00 C ATOM 836 CD LYS A 21 -16.783 -6.197 -6.133 1.00 0.00 C ATOM 837 CE LYS A 21 -16.497 -5.403 -7.396 1.00 0.00 C ATOM 838 NZ LYS A 21 -17.603 -4.468 -7.724 1.00 0.00 N ATOM 0 H LYS A 21 -18.523 -6.686 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.976 -8.018 -4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.936 -5.320 -3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.445 -6.096 -2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.289 -4.980 -5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.894 -6.687 -5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.845 -7.258 -6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.753 -5.905 -5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.572 -4.841 -7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.342 -6.089 -8.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.470 -4.097 -8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.511 -4.972 -7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.604 -3.679 -7.046 1.00 0.00 H new ATOM 852 N ARG A 22 -15.328 -9.031 -2.717 1.00 0.00 N ATOM 853 CA ARG A 22 -14.746 -9.979 -1.781 1.00 0.00 C ATOM 854 C ARG A 22 -13.258 -9.736 -1.602 1.00 0.00 C ATOM 855 O ARG A 22 -12.490 -9.820 -2.563 1.00 0.00 O ATOM 856 CB ARG A 22 -14.986 -11.406 -2.271 1.00 0.00 C ATOM 857 CG ARG A 22 -16.422 -11.663 -2.690 1.00 0.00 C ATOM 858 CD ARG A 22 -16.795 -13.114 -2.488 1.00 0.00 C ATOM 859 NE ARG A 22 -17.204 -13.392 -1.114 1.00 0.00 N ATOM 860 CZ ARG A 22 -18.233 -14.174 -0.792 1.00 0.00 C ATOM 861 NH1 ARG A 22 -18.992 -14.711 -1.743 1.00 0.00 N ATOM 862 NH2 ARG A 22 -18.512 -14.427 0.479 1.00 0.00 N ATOM 0 H ARG A 22 -14.872 -8.996 -3.629 1.00 0.00 H new ATOM 0 HA ARG A 22 -15.229 -9.840 -0.814 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.327 -11.609 -3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.715 -12.105 -1.480 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -17.092 -11.028 -2.111 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -16.552 -11.393 -3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.606 -13.377 -3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.945 -13.745 -2.747 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.671 -12.963 -0.358 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -18.787 -14.525 -2.725 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.779 -15.309 -1.491 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.937 -14.022 1.218 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.302 -15.027 0.718 1.00 0.00 H new ATOM 876 N CYS A 23 -12.858 -9.431 -0.377 1.00 0.00 N ATOM 877 CA CYS A 23 -11.458 -9.232 -0.069 1.00 0.00 C ATOM 878 C CYS A 23 -10.807 -10.551 0.320 1.00 0.00 C ATOM 879 O CYS A 23 -11.480 -11.475 0.782 1.00 0.00 O ATOM 880 CB CYS A 23 -11.295 -8.206 1.053 1.00 0.00 C ATOM 881 SG CYS A 23 -12.394 -8.445 2.481 1.00 0.00 S ATOM 0 H CYS A 23 -13.487 -9.317 0.418 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.961 -8.849 -0.960 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.262 -8.232 1.401 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.469 -7.211 0.643 1.00 0.00 H new ATOM 886 N ALA A 24 -9.505 -10.639 0.130 1.00 0.00 N ATOM 887 CA ALA A 24 -8.767 -11.847 0.458 1.00 0.00 C ATOM 888 C ALA A 24 -8.196 -11.769 1.871 1.00 0.00 C ATOM 889 O ALA A 24 -7.438 -12.642 2.296 1.00 0.00 O ATOM 890 CB ALA A 24 -7.655 -12.072 -0.555 1.00 0.00 C ATOM 0 H ALA A 24 -8.933 -9.886 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.454 -12.692 0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.108 -12.980 -0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.086 -12.176 -1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.973 -11.222 -0.541 1.00 0.00 H new ATOM 896 N GLY A 25 -8.574 -10.727 2.597 1.00 0.00 N ATOM 897 CA GLY A 25 -8.011 -10.502 3.911 1.00 0.00 C ATOM 898 C GLY A 25 -8.952 -10.860 5.046 1.00 0.00 C ATOM 899 O GLY A 25 -8.844 -11.939 5.631 1.00 0.00 O ATOM 0 H GLY A 25 -9.260 -10.034 2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.097 -11.087 4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.729 -9.453 4.001 1.00 0.00 H new ATOM 903 N CYS A 26 -9.861 -9.948 5.371 1.00 0.00 N ATOM 904 CA CYS A 26 -10.712 -10.103 6.541 1.00 0.00 C ATOM 905 C CYS A 26 -11.928 -11.006 6.278 1.00 0.00 C ATOM 906 O CYS A 26 -11.795 -12.229 6.185 1.00 0.00 O ATOM 907 CB CYS A 26 -11.117 -8.718 7.109 1.00 0.00 C ATOM 908 SG CYS A 26 -12.359 -7.747 6.166 1.00 0.00 S ATOM 0 H CYS A 26 -10.026 -9.093 4.839 1.00 0.00 H new ATOM 0 HA CYS A 26 -10.127 -10.619 7.303 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.502 -8.867 8.118 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.214 -8.114 7.198 1.00 0.00 H new ATOM 913 N GLY A 27 -13.098 -10.407 6.146 1.00 0.00 N ATOM 914 CA GLY A 27 -14.327 -11.172 6.083 1.00 0.00 C ATOM 915 C GLY A 27 -14.586 -11.768 4.719 1.00 0.00 C ATOM 916 O GLY A 27 -15.414 -12.668 4.580 1.00 0.00 O ATOM 0 H GLY A 27 -13.221 -9.397 6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.287 -11.973 6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.163 -10.528 6.356 1.00 0.00 H new ATOM 920 N GLY A 28 -13.889 -11.270 3.708 1.00 0.00 N ATOM 921 CA GLY A 28 -14.097 -11.763 2.361 1.00 0.00 C ATOM 922 C GLY A 28 -15.352 -11.192 1.741 1.00 0.00 C ATOM 923 O GLY A 28 -15.823 -11.670 0.710 1.00 0.00 O ATOM 0 H GLY A 28 -13.186 -10.536 3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.237 -11.506 1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.163 -12.851 2.378 1.00 0.00 H new ATOM 927 N LYS A 29 -15.897 -10.180 2.388 1.00 0.00 N ATOM 928 CA LYS A 29 -17.070 -9.482 1.900 1.00 0.00 C ATOM 929 C LYS A 29 -16.917 -8.003 2.199 1.00 0.00 C ATOM 930 O LYS A 29 -17.077 -7.570 3.341 1.00 0.00 O ATOM 931 CB LYS A 29 -18.342 -10.032 2.552 1.00 0.00 C ATOM 932 CG LYS A 29 -19.150 -10.935 1.638 1.00 0.00 C ATOM 933 CD LYS A 29 -20.161 -11.759 2.417 1.00 0.00 C ATOM 934 CE LYS A 29 -21.428 -10.967 2.704 1.00 0.00 C ATOM 935 NZ LYS A 29 -22.654 -11.714 2.318 1.00 0.00 N ATOM 0 H LYS A 29 -15.537 -9.818 3.271 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.159 -9.633 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.070 -10.587 3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.967 -9.198 2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -19.669 -10.330 0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -18.478 -11.600 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -20.413 -12.656 1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -19.716 -12.088 3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -21.471 -10.725 3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -21.394 -10.022 2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.361 -11.636 3.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.042 -11.314 1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -22.417 -12.715 2.167 1.00 0.00 H new ATOM 949 N ILE A 30 -16.569 -7.237 1.183 1.00 0.00 N ATOM 950 CA ILE A 30 -16.295 -5.826 1.362 1.00 0.00 C ATOM 951 C ILE A 30 -17.585 -5.036 1.519 1.00 0.00 C ATOM 952 O ILE A 30 -18.341 -4.844 0.566 1.00 0.00 O ATOM 953 CB ILE A 30 -15.474 -5.251 0.184 1.00 0.00 C ATOM 954 CG1 ILE A 30 -14.109 -5.936 0.104 1.00 0.00 C ATOM 955 CG2 ILE A 30 -15.302 -3.743 0.332 1.00 0.00 C ATOM 956 CD1 ILE A 30 -13.436 -5.800 -1.245 1.00 0.00 C ATOM 0 H ILE A 30 -16.469 -7.570 0.224 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.705 -5.729 2.273 1.00 0.00 H new ATOM 0 HB ILE A 30 -16.018 -5.445 -0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -13.456 -5.516 0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -14.230 -6.994 0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.722 -3.359 -0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -16.281 -3.265 0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.780 -3.526 1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.473 -6.311 -1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.067 -6.246 -2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.282 -4.745 -1.470 1.00 0.00 H new ATOM 968 N ALA A 31 -17.823 -4.586 2.740 1.00 0.00 N ATOM 969 CA ALA A 31 -18.915 -3.673 3.028 1.00 0.00 C ATOM 970 C ALA A 31 -18.344 -2.288 3.277 1.00 0.00 C ATOM 971 O ALA A 31 -18.986 -1.422 3.875 1.00 0.00 O ATOM 972 CB ALA A 31 -19.715 -4.155 4.232 1.00 0.00 C ATOM 0 H ALA A 31 -17.267 -4.842 3.556 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.594 -3.636 2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -20.528 -3.457 4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -20.127 -5.142 4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.063 -4.211 5.104 1.00 0.00 H new ATOM 978 N ASP A 32 -17.118 -2.101 2.817 1.00 0.00 N ATOM 979 CA ASP A 32 -16.411 -0.843 2.981 1.00 0.00 C ATOM 980 C ASP A 32 -16.822 0.138 1.893 1.00 0.00 C ATOM 981 O ASP A 32 -17.673 -0.172 1.056 1.00 0.00 O ATOM 982 CB ASP A 32 -14.902 -1.076 2.928 1.00 0.00 C ATOM 983 CG ASP A 32 -14.137 -0.189 3.887 1.00 0.00 C ATOM 984 OD1 ASP A 32 -14.476 1.007 3.996 1.00 0.00 O ATOM 985 OD2 ASP A 32 -13.189 -0.688 4.531 1.00 0.00 O ATOM 0 H ASP A 32 -16.586 -2.816 2.320 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.671 -0.422 3.952 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.692 -2.120 3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.547 -0.897 1.913 1.00 0.00 H new ATOM 990 N ARG A 33 -16.215 1.312 1.905 1.00 0.00 N ATOM 991 CA ARG A 33 -16.538 2.343 0.938 1.00 0.00 C ATOM 992 C ARG A 33 -15.798 2.110 -0.373 1.00 0.00 C ATOM 993 O ARG A 33 -16.399 1.721 -1.371 1.00 0.00 O ATOM 994 CB ARG A 33 -16.193 3.726 1.495 1.00 0.00 C ATOM 995 CG ARG A 33 -17.411 4.579 1.803 1.00 0.00 C ATOM 996 CD ARG A 33 -17.237 6.004 1.305 1.00 0.00 C ATOM 997 NE ARG A 33 -18.520 6.636 0.998 1.00 0.00 N ATOM 998 CZ ARG A 33 -18.880 7.033 -0.221 1.00 0.00 C ATOM 999 NH1 ARG A 33 -18.044 6.885 -1.244 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -20.069 7.591 -0.415 1.00 0.00 N ATOM 0 H ARG A 33 -15.494 1.574 2.577 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.609 2.297 0.743 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.605 3.606 2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.564 4.251 0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -18.293 4.136 1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -17.587 4.588 2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -16.715 6.591 2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.610 6.003 0.413 1.00 0.00 H new ATOM 0 HE ARG A 33 -19.178 6.781 1.763 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -17.126 6.467 -1.096 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -18.321 7.190 -2.177 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -20.708 7.716 0.370 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -20.344 7.895 -1.349 1.00 0.00 H new ATOM 1014 N PHE A 34 -14.494 2.347 -0.362 1.00 0.00 N ATOM 1015 CA PHE A 34 -13.688 2.271 -1.571 1.00 0.00 C ATOM 1016 C PHE A 34 -12.897 0.970 -1.644 1.00 0.00 C ATOM 1017 O PHE A 34 -12.575 0.371 -0.616 1.00 0.00 O ATOM 1018 CB PHE A 34 -12.742 3.470 -1.644 1.00 0.00 C ATOM 1019 CG PHE A 34 -13.262 4.565 -2.526 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -14.587 4.959 -2.449 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -12.435 5.180 -3.450 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -15.077 5.949 -3.273 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -12.921 6.166 -4.282 1.00 0.00 C ATOM 1024 CZ PHE A 34 -14.243 6.551 -4.192 1.00 0.00 C ATOM 0 H PHE A 34 -13.969 2.595 0.477 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.366 2.291 -2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -12.582 3.863 -0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.772 3.140 -2.015 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.244 4.485 -1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.399 4.884 -3.520 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.111 6.253 -3.199 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.268 6.636 -5.003 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.625 7.324 -4.842 1.00 0.00 H new ATOM 1034 N LEU A 35 -12.585 0.534 -2.863 1.00 0.00 N ATOM 1035 CA LEU A 35 -11.787 -0.670 -3.056 1.00 0.00 C ATOM 1036 C LEU A 35 -10.345 -0.298 -3.351 1.00 0.00 C ATOM 1037 O LEU A 35 -10.064 0.810 -3.805 1.00 0.00 O ATOM 1038 CB LEU A 35 -12.328 -1.529 -4.203 1.00 0.00 C ATOM 1039 CG LEU A 35 -13.845 -1.683 -4.272 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -14.220 -2.712 -5.326 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -14.406 -2.074 -2.918 1.00 0.00 C ATOM 0 H LEU A 35 -12.872 0.995 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.843 -1.250 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.984 -1.100 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.886 -2.522 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.279 -0.724 -4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.305 -2.813 -5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.850 -2.388 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.775 -3.674 -5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.489 -2.179 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.970 -3.022 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.163 -1.303 -2.187 1.00 0.00 H new ATOM 1053 N LEU A 36 -9.439 -1.224 -3.100 1.00 0.00 N ATOM 1054 CA LEU A 36 -8.030 -1.000 -3.363 1.00 0.00 C ATOM 1055 C LEU A 36 -7.400 -2.229 -4.003 1.00 0.00 C ATOM 1056 O LEU A 36 -7.652 -3.356 -3.585 1.00 0.00 O ATOM 1057 CB LEU A 36 -7.297 -0.653 -2.069 1.00 0.00 C ATOM 1058 CG LEU A 36 -7.611 0.731 -1.500 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -7.455 0.736 0.011 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -6.710 1.780 -2.135 1.00 0.00 C ATOM 0 H LEU A 36 -9.655 -2.142 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.942 -0.163 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.543 -1.403 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.224 -0.721 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.647 0.975 -1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.683 1.730 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.140 0.010 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.430 0.472 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.945 2.760 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.668 1.538 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.871 1.794 -3.213 1.00 0.00 H new ATOM 1072 N TYR A 37 -6.607 -2.000 -5.036 1.00 0.00 N ATOM 1073 CA TYR A 37 -5.845 -3.060 -5.679 1.00 0.00 C ATOM 1074 C TYR A 37 -4.425 -3.065 -5.140 1.00 0.00 C ATOM 1075 O TYR A 37 -3.851 -2.008 -4.885 1.00 0.00 O ATOM 1076 CB TYR A 37 -5.803 -2.841 -7.190 1.00 0.00 C ATOM 1077 CG TYR A 37 -6.745 -3.721 -7.973 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -6.750 -5.096 -7.798 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -7.625 -3.170 -8.895 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -7.606 -5.902 -8.521 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -8.485 -3.966 -9.622 1.00 0.00 C ATOM 1082 CZ TYR A 37 -8.472 -5.333 -9.432 1.00 0.00 C ATOM 1083 OH TYR A 37 -9.328 -6.132 -10.159 1.00 0.00 O ATOM 0 H TYR A 37 -6.473 -1.078 -5.452 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.327 -4.014 -5.467 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.040 -1.798 -7.401 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.786 -3.014 -7.542 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.074 -5.544 -7.085 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.636 -2.101 -9.045 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.598 -6.972 -8.374 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.164 -3.523 -10.335 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.189 -6.197 -9.695 1.00 0.00 H new ATOM 1093 N ALA A 38 -3.868 -4.249 -4.968 1.00 0.00 N ATOM 1094 CA ALA A 38 -2.492 -4.377 -4.524 1.00 0.00 C ATOM 1095 C ALA A 38 -1.713 -5.277 -5.473 1.00 0.00 C ATOM 1096 O ALA A 38 -0.950 -4.804 -6.314 1.00 0.00 O ATOM 1097 CB ALA A 38 -2.439 -4.918 -3.103 1.00 0.00 C ATOM 0 H ALA A 38 -4.346 -5.135 -5.129 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.030 -3.390 -4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.400 -5.008 -2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.965 -4.236 -2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.914 -5.898 -3.069 1.00 0.00 H new ATOM 1103 N MET A 39 -1.915 -6.580 -5.338 1.00 0.00 N ATOM 1104 CA MET A 39 -1.254 -7.543 -6.205 1.00 0.00 C ATOM 1105 C MET A 39 -2.196 -8.021 -7.303 1.00 0.00 C ATOM 1106 O MET A 39 -1.834 -8.033 -8.478 1.00 0.00 O ATOM 1107 CB MET A 39 -0.744 -8.743 -5.398 1.00 0.00 C ATOM 1108 CG MET A 39 -0.164 -8.374 -4.043 1.00 0.00 C ATOM 1109 SD MET A 39 -1.417 -8.357 -2.747 1.00 0.00 S ATOM 1110 CE MET A 39 -0.459 -7.777 -1.349 1.00 0.00 C ATOM 0 H MET A 39 -2.530 -6.993 -4.637 1.00 0.00 H new ATOM 0 HA MET A 39 -0.403 -7.043 -6.667 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.565 -9.445 -5.252 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.019 -9.261 -5.979 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.619 -9.085 -3.779 1.00 0.00 H new ATOM 0 HG3 MET A 39 0.305 -7.392 -4.106 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.688 -8.385 -0.474 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.604 -7.857 -1.578 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.709 -6.736 -1.144 1.00 0.00 H new ATOM 1120 N ASP A 40 -3.412 -8.395 -6.913 1.00 0.00 N ATOM 1121 CA ASP A 40 -4.377 -8.967 -7.852 1.00 0.00 C ATOM 1122 C ASP A 40 -5.776 -9.021 -7.244 1.00 0.00 C ATOM 1123 O ASP A 40 -6.775 -9.035 -7.965 1.00 0.00 O ATOM 1124 CB ASP A 40 -3.924 -10.379 -8.279 1.00 0.00 C ATOM 1125 CG ASP A 40 -4.934 -11.472 -7.958 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -4.927 -11.985 -6.816 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -5.728 -11.835 -8.854 1.00 0.00 O ATOM 0 H ASP A 40 -3.753 -8.313 -5.955 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.419 -8.323 -8.731 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.731 -10.379 -9.352 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.981 -10.613 -7.785 1.00 0.00 H new ATOM 1132 N SER A 41 -5.848 -9.018 -5.921 1.00 0.00 N ATOM 1133 CA SER A 41 -7.105 -9.231 -5.234 1.00 0.00 C ATOM 1134 C SER A 41 -7.810 -7.913 -4.946 1.00 0.00 C ATOM 1135 O SER A 41 -7.208 -6.841 -5.040 1.00 0.00 O ATOM 1136 CB SER A 41 -6.831 -9.979 -3.934 1.00 0.00 C ATOM 1137 OG SER A 41 -5.433 -10.133 -3.740 1.00 0.00 O ATOM 0 H SER A 41 -5.048 -8.870 -5.305 1.00 0.00 H new ATOM 0 HA SER A 41 -7.763 -9.819 -5.873 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.264 -9.434 -3.095 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.311 -10.957 -3.961 1.00 0.00 H new ATOM 0 HG SER A 41 -5.148 -9.593 -2.973 1.00 0.00 H new ATOM 1143 N TYR A 42 -9.089 -8.004 -4.618 1.00 0.00 N ATOM 1144 CA TYR A 42 -9.856 -6.848 -4.191 1.00 0.00 C ATOM 1145 C TYR A 42 -9.628 -6.606 -2.706 1.00 0.00 C ATOM 1146 O TYR A 42 -9.767 -7.521 -1.897 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.349 -7.071 -4.447 1.00 0.00 C ATOM 1148 CG TYR A 42 -11.757 -6.938 -5.895 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -11.310 -5.878 -6.674 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -12.602 -7.871 -6.480 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -11.691 -5.755 -7.994 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -12.990 -7.754 -7.800 1.00 0.00 C ATOM 1153 CZ TYR A 42 -12.532 -6.695 -8.553 1.00 0.00 C ATOM 1154 OH TYR A 42 -12.920 -6.572 -9.866 1.00 0.00 O ATOM 0 H TYR A 42 -9.620 -8.875 -4.640 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.527 -5.980 -4.762 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.622 -8.066 -4.095 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.918 -6.355 -3.854 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.654 -5.139 -6.239 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.962 -8.703 -5.893 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.333 -4.927 -8.587 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -13.649 -8.488 -8.240 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.511 -7.317 -10.104 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.251 -5.393 -2.351 1.00 0.00 N ATOM 1165 CA TRP A 43 -9.089 -5.034 -0.953 1.00 0.00 C ATOM 1166 C TRP A 43 -9.870 -3.770 -0.637 1.00 0.00 C ATOM 1167 O TRP A 43 -10.537 -3.199 -1.500 1.00 0.00 O ATOM 1168 CB TRP A 43 -7.617 -4.801 -0.594 1.00 0.00 C ATOM 1169 CG TRP A 43 -6.667 -5.817 -1.148 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.095 -5.811 -2.386 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -6.152 -6.975 -0.476 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -5.277 -6.900 -2.533 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.292 -7.627 -1.375 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -6.345 -7.529 0.794 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -4.619 -8.798 -1.047 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -5.672 -8.693 1.120 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -4.820 -9.316 0.200 1.00 0.00 C ATOM 0 H TRP A 43 -9.051 -4.640 -3.009 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.468 -5.869 -0.364 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.322 -3.815 -0.953 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.520 -4.788 0.492 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.263 -5.057 -3.141 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.743 -7.131 -3.371 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -7.006 -7.057 1.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.960 -9.281 -1.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.806 -9.128 2.099 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.311 -10.226 0.483 1.00 0.00 H new ATOM 1188 N HIS A 44 -9.768 -3.347 0.608 1.00 0.00 N ATOM 1189 CA HIS A 44 -10.340 -2.092 1.072 1.00 0.00 C ATOM 1190 C HIS A 44 -9.412 -1.520 2.134 1.00 0.00 C ATOM 1191 O HIS A 44 -8.411 -2.155 2.472 1.00 0.00 O ATOM 1192 CB HIS A 44 -11.771 -2.283 1.622 1.00 0.00 C ATOM 1193 CG HIS A 44 -11.902 -3.376 2.643 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -12.411 -3.194 3.918 1.00 0.00 N ATOM 1195 CD2 HIS A 44 -11.557 -4.684 2.561 1.00 0.00 C ATOM 1196 CE1 HIS A 44 -12.343 -4.376 4.558 1.00 0.00 C ATOM 1197 NE2 HIS A 44 -11.834 -5.291 3.768 1.00 0.00 N ATOM 0 H HIS A 44 -9.281 -3.869 1.336 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.427 -1.398 0.236 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -12.105 -1.345 2.067 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.441 -2.498 0.790 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -12.772 -2.321 4.303 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.135 -5.170 1.694 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.662 -4.547 5.576 1.00 0.00 H new ATOM 1205 N SER A 45 -9.737 -0.351 2.663 1.00 0.00 N ATOM 1206 CA SER A 45 -8.849 0.352 3.592 1.00 0.00 C ATOM 1207 C SER A 45 -8.524 -0.482 4.836 1.00 0.00 C ATOM 1208 O SER A 45 -7.432 -0.374 5.395 1.00 0.00 O ATOM 1209 CB SER A 45 -9.487 1.675 3.997 1.00 0.00 C ATOM 1210 OG SER A 45 -10.706 1.875 3.300 1.00 0.00 O ATOM 0 H SER A 45 -10.611 0.137 2.468 1.00 0.00 H new ATOM 0 HA SER A 45 -7.905 0.533 3.077 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.671 1.683 5.071 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.802 2.496 3.785 1.00 0.00 H new ATOM 0 HG SER A 45 -11.103 2.728 3.573 1.00 0.00 H new ATOM 1216 N ARG A 46 -9.463 -1.323 5.256 1.00 0.00 N ATOM 1217 CA ARG A 46 -9.277 -2.131 6.458 1.00 0.00 C ATOM 1218 C ARG A 46 -8.494 -3.411 6.164 1.00 0.00 C ATOM 1219 O ARG A 46 -7.955 -4.032 7.077 1.00 0.00 O ATOM 1220 CB ARG A 46 -10.630 -2.484 7.078 1.00 0.00 C ATOM 1221 CG ARG A 46 -11.153 -1.431 8.039 1.00 0.00 C ATOM 1222 CD ARG A 46 -10.906 -1.826 9.486 1.00 0.00 C ATOM 1223 NE ARG A 46 -11.057 -0.688 10.393 1.00 0.00 N ATOM 1224 CZ ARG A 46 -11.521 -0.779 11.638 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -11.836 -1.962 12.150 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -11.659 0.318 12.376 1.00 0.00 N ATOM 0 H ARG A 46 -10.357 -1.463 4.785 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.698 -1.535 7.164 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.359 -2.630 6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.541 -3.433 7.606 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.668 -0.476 7.833 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.221 -1.288 7.877 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.603 -2.614 9.772 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.902 -2.238 9.584 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.790 0.235 10.050 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.723 -2.807 11.590 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.191 -2.027 13.104 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.410 1.228 11.989 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.014 0.250 13.330 1.00 0.00 H new ATOM 1240 N CYS A 47 -8.431 -3.808 4.896 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.720 -5.026 4.524 1.00 0.00 C ATOM 1242 C CYS A 47 -6.337 -4.710 3.969 1.00 0.00 C ATOM 1243 O CYS A 47 -5.365 -5.402 4.282 1.00 0.00 O ATOM 1244 CB CYS A 47 -8.523 -5.835 3.503 1.00 0.00 C ATOM 1245 SG CYS A 47 -9.196 -7.401 4.157 1.00 0.00 S ATOM 0 H CYS A 47 -8.859 -3.309 4.116 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.599 -5.624 5.427 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.347 -5.222 3.137 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.885 -6.055 2.647 1.00 0.00 H new ATOM 1250 N LEU A 48 -6.244 -3.663 3.158 1.00 0.00 N ATOM 1251 CA LEU A 48 -4.976 -3.275 2.563 1.00 0.00 C ATOM 1252 C LEU A 48 -4.134 -2.488 3.562 1.00 0.00 C ATOM 1253 O LEU A 48 -3.865 -1.296 3.385 1.00 0.00 O ATOM 1254 CB LEU A 48 -5.198 -2.456 1.290 1.00 0.00 C ATOM 1255 CG LEU A 48 -4.702 -3.106 -0.006 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -4.224 -2.041 -0.978 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -3.594 -4.115 0.272 1.00 0.00 C ATOM 0 H LEU A 48 -7.032 -3.069 2.899 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.437 -4.183 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.264 -2.254 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.701 -1.493 1.407 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.536 -3.644 -0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.874 -2.516 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.047 -1.365 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.408 -1.477 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.263 -4.559 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.755 -3.611 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.971 -4.897 0.931 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.738 -3.172 4.614 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.889 -2.600 5.639 1.00 0.00 C ATOM 1271 C LYS A 49 -1.657 -3.466 5.801 1.00 0.00 C ATOM 1272 O LYS A 49 -1.632 -4.609 5.338 1.00 0.00 O ATOM 1273 CB LYS A 49 -3.631 -2.501 6.978 1.00 0.00 C ATOM 1274 CG LYS A 49 -4.738 -3.529 7.145 1.00 0.00 C ATOM 1275 CD LYS A 49 -4.231 -4.800 7.810 1.00 0.00 C ATOM 1276 CE LYS A 49 -5.266 -5.911 7.754 1.00 0.00 C ATOM 1277 NZ LYS A 49 -5.035 -6.830 6.607 1.00 0.00 N ATOM 0 H LYS A 49 -3.996 -4.144 4.784 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.603 -1.593 5.335 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.913 -2.619 7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.058 -1.503 7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.544 -3.102 7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.159 -3.772 6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.316 -5.129 7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.976 -4.591 8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.240 -6.478 8.684 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.262 -5.475 7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.588 -7.700 6.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.331 -6.365 5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.024 -7.068 6.551 1.00 0.00 H new ATOM 1291 N CYS A 50 -0.642 -2.923 6.449 1.00 0.00 N ATOM 1292 CA CYS A 50 0.571 -3.664 6.714 1.00 0.00 C ATOM 1293 C CYS A 50 0.285 -4.870 7.594 1.00 0.00 C ATOM 1294 O CYS A 50 -0.505 -4.799 8.536 1.00 0.00 O ATOM 1295 CB CYS A 50 1.601 -2.770 7.393 1.00 0.00 C ATOM 1296 SG CYS A 50 3.204 -3.580 7.688 1.00 0.00 S ATOM 0 H CYS A 50 -0.637 -1.966 6.802 1.00 0.00 H new ATOM 0 HA CYS A 50 0.969 -4.011 5.760 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.761 -1.885 6.778 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.198 -2.427 8.346 1.00 0.00 H new ATOM 1301 N SER A 51 0.934 -5.970 7.277 1.00 0.00 N ATOM 1302 CA SER A 51 0.824 -7.180 8.068 1.00 0.00 C ATOM 1303 C SER A 51 1.730 -7.101 9.301 1.00 0.00 C ATOM 1304 O SER A 51 1.676 -7.961 10.186 1.00 0.00 O ATOM 1305 CB SER A 51 1.193 -8.392 7.208 1.00 0.00 C ATOM 1306 OG SER A 51 0.989 -8.125 5.825 1.00 0.00 O ATOM 0 H SER A 51 1.550 -6.052 6.468 1.00 0.00 H new ATOM 0 HA SER A 51 -0.205 -7.287 8.411 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.236 -8.658 7.379 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.591 -9.250 7.508 1.00 0.00 H new ATOM 0 HG SER A 51 1.234 -8.915 5.300 1.00 0.00 H new ATOM 1312 N SER A 52 2.559 -6.063 9.355 1.00 0.00 N ATOM 1313 CA SER A 52 3.519 -5.909 10.440 1.00 0.00 C ATOM 1314 C SER A 52 3.202 -4.688 11.311 1.00 0.00 C ATOM 1315 O SER A 52 3.094 -4.806 12.532 1.00 0.00 O ATOM 1316 CB SER A 52 4.931 -5.808 9.861 1.00 0.00 C ATOM 1317 OG SER A 52 4.900 -5.854 8.443 1.00 0.00 O ATOM 0 H SER A 52 2.584 -5.317 8.660 1.00 0.00 H new ATOM 0 HA SER A 52 3.452 -6.786 11.083 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.397 -4.879 10.189 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.544 -6.624 10.242 1.00 0.00 H new ATOM 0 HG SER A 52 4.680 -4.966 8.092 1.00 0.00 H new ATOM 1323 N CYS A 53 3.030 -3.521 10.693 1.00 0.00 N ATOM 1324 CA CYS A 53 2.710 -2.308 11.444 1.00 0.00 C ATOM 1325 C CYS A 53 1.197 -2.113 11.529 1.00 0.00 C ATOM 1326 O CYS A 53 0.696 -1.429 12.427 1.00 0.00 O ATOM 1327 CB CYS A 53 3.354 -1.069 10.804 1.00 0.00 C ATOM 1328 SG CYS A 53 5.018 -1.334 10.104 1.00 0.00 S ATOM 0 H CYS A 53 3.106 -3.389 9.684 1.00 0.00 H new ATOM 0 HA CYS A 53 3.115 -2.428 12.449 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.698 -0.706 10.013 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.414 -0.281 11.555 1.00 0.00 H new ATOM 1333 N GLN A 54 0.486 -2.726 10.582 1.00 0.00 N ATOM 1334 CA GLN A 54 -0.971 -2.630 10.489 1.00 0.00 C ATOM 1335 C GLN A 54 -1.410 -1.217 10.122 1.00 0.00 C ATOM 1336 O GLN A 54 -2.484 -0.764 10.520 1.00 0.00 O ATOM 1337 CB GLN A 54 -1.645 -3.084 11.786 1.00 0.00 C ATOM 1338 CG GLN A 54 -2.402 -4.397 11.641 1.00 0.00 C ATOM 1339 CD GLN A 54 -3.905 -4.200 11.566 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -4.338 -3.222 10.786 1.00 0.00 O flip ATOM 1341 NE2 GLN A 54 -4.670 -4.928 12.197 1.00 0.00 N flip ATOM 0 H GLN A 54 0.906 -3.305 9.855 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.289 -3.302 9.692 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.888 -3.192 12.563 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.335 -2.309 12.120 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.062 -4.911 10.742 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.166 -5.043 12.486 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.296 -5.671 12.787 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.678 -4.789 12.130 1.00 0.00 H new ATOM 1350 N ALA A 55 -0.572 -0.524 9.363 1.00 0.00 N ATOM 1351 CA ALA A 55 -0.922 0.792 8.853 1.00 0.00 C ATOM 1352 C ALA A 55 -1.663 0.645 7.533 1.00 0.00 C ATOM 1353 O ALA A 55 -1.325 -0.223 6.728 1.00 0.00 O ATOM 1354 CB ALA A 55 0.326 1.647 8.675 1.00 0.00 C ATOM 0 H ALA A 55 0.354 -0.852 9.088 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.572 1.291 9.572 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.044 2.628 8.293 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.828 1.763 9.636 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.001 1.163 7.969 1.00 0.00 H new ATOM 1360 N GLN A 56 -2.674 1.475 7.315 1.00 0.00 N ATOM 1361 CA GLN A 56 -3.484 1.393 6.110 1.00 0.00 C ATOM 1362 C GLN A 56 -2.707 1.924 4.908 1.00 0.00 C ATOM 1363 O GLN A 56 -2.868 3.077 4.510 1.00 0.00 O ATOM 1364 CB GLN A 56 -4.779 2.187 6.291 1.00 0.00 C ATOM 1365 CG GLN A 56 -5.498 1.914 7.603 1.00 0.00 C ATOM 1366 CD GLN A 56 -6.944 2.371 7.577 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -7.835 1.684 8.085 1.00 0.00 O ATOM 1368 NE2 GLN A 56 -7.190 3.534 6.993 1.00 0.00 N ATOM 0 H GLN A 56 -2.952 2.215 7.960 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.733 0.347 5.929 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.552 3.251 6.229 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.452 1.956 5.465 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.461 0.846 7.819 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.974 2.421 8.413 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.425 4.072 6.585 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.144 3.892 6.951 1.00 0.00 H new ATOM 1377 N LEU A 57 -1.868 1.071 4.336 1.00 0.00 N ATOM 1378 CA LEU A 57 -1.006 1.456 3.224 1.00 0.00 C ATOM 1379 C LEU A 57 -1.821 1.811 1.985 1.00 0.00 C ATOM 1380 O LEU A 57 -1.328 2.484 1.086 1.00 0.00 O ATOM 1381 CB LEU A 57 -0.020 0.328 2.906 1.00 0.00 C ATOM 1382 CG LEU A 57 1.006 0.043 4.002 1.00 0.00 C ATOM 1383 CD1 LEU A 57 1.811 -1.200 3.669 1.00 0.00 C ATOM 1384 CD2 LEU A 57 1.924 1.239 4.193 1.00 0.00 C ATOM 0 H LEU A 57 -1.765 0.099 4.626 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.449 2.344 3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.584 -0.584 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.511 0.577 1.987 1.00 0.00 H new ATOM 0 HG LEU A 57 0.473 -0.135 4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.536 -1.387 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.141 -2.055 3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.335 -1.052 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.649 1.020 4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.449 1.447 3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.333 2.109 4.478 1.00 0.00 H new ATOM 1396 N GLY A 58 -3.066 1.354 1.947 1.00 0.00 N ATOM 1397 CA GLY A 58 -3.943 1.684 0.844 1.00 0.00 C ATOM 1398 C GLY A 58 -4.610 3.039 1.016 1.00 0.00 C ATOM 1399 O GLY A 58 -5.068 3.640 0.044 1.00 0.00 O ATOM 0 H GLY A 58 -3.484 0.759 2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.372 1.679 -0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.709 0.915 0.751 1.00 0.00 H new ATOM 1403 N ASP A 59 -4.658 3.524 2.253 1.00 0.00 N ATOM 1404 CA ASP A 59 -5.317 4.796 2.549 1.00 0.00 C ATOM 1405 C ASP A 59 -4.293 5.912 2.633 1.00 0.00 C ATOM 1406 O ASP A 59 -4.610 7.096 2.506 1.00 0.00 O ATOM 1407 CB ASP A 59 -6.164 4.673 3.831 1.00 0.00 C ATOM 1408 CG ASP A 59 -5.962 5.797 4.836 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -6.570 6.878 4.666 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -5.226 5.592 5.820 1.00 0.00 O ATOM 0 H ASP A 59 -4.251 3.059 3.065 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.000 5.049 1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.217 4.638 3.552 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.930 3.725 4.315 1.00 0.00 H new ATOM 1415 N ILE A 60 -3.061 5.505 2.788 1.00 0.00 N ATOM 1416 CA ILE A 60 -1.931 6.415 2.768 1.00 0.00 C ATOM 1417 C ILE A 60 -1.247 6.319 1.411 1.00 0.00 C ATOM 1418 O ILE A 60 -1.194 5.243 0.824 1.00 0.00 O ATOM 1419 CB ILE A 60 -0.918 6.090 3.894 1.00 0.00 C ATOM 1420 CG1 ILE A 60 -1.645 5.910 5.229 1.00 0.00 C ATOM 1421 CG2 ILE A 60 0.134 7.187 4.006 1.00 0.00 C ATOM 1422 CD1 ILE A 60 -0.760 5.381 6.339 1.00 0.00 C ATOM 0 H ILE A 60 -2.805 4.528 2.933 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.296 7.428 2.937 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.414 5.157 3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.064 6.868 5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.482 5.227 5.087 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.835 6.939 4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.673 7.272 3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.352 8.136 4.233 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.345 5.280 7.253 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.361 4.408 6.054 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.063 6.075 6.510 1.00 0.00 H new ATOM 1434 N GLY A 61 -0.754 7.441 0.905 1.00 0.00 N ATOM 1435 CA GLY A 61 -0.118 7.459 -0.407 1.00 0.00 C ATOM 1436 C GLY A 61 1.252 6.793 -0.427 1.00 0.00 C ATOM 1437 O GLY A 61 2.246 7.414 -0.810 1.00 0.00 O ATOM 0 H GLY A 61 -0.781 8.344 1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.768 6.957 -1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.016 8.492 -0.738 1.00 0.00 H new ATOM 1441 N THR A 62 1.303 5.535 -0.024 1.00 0.00 N ATOM 1442 CA THR A 62 2.548 4.791 0.025 1.00 0.00 C ATOM 1443 C THR A 62 2.684 3.847 -1.165 1.00 0.00 C ATOM 1444 O THR A 62 1.724 3.184 -1.556 1.00 0.00 O ATOM 1445 CB THR A 62 2.641 3.965 1.319 1.00 0.00 C ATOM 1446 OG1 THR A 62 2.000 4.668 2.393 1.00 0.00 O ATOM 1447 CG2 THR A 62 4.091 3.676 1.678 1.00 0.00 C ATOM 0 H THR A 62 0.486 5.003 0.277 1.00 0.00 H new ATOM 0 HA THR A 62 3.354 5.524 -0.006 1.00 0.00 H new ATOM 0 HB THR A 62 2.134 3.014 1.156 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.061 4.137 3.214 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.129 3.091 2.597 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.561 3.114 0.871 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.624 4.616 1.824 1.00 0.00 H new ATOM 1455 N SER A 63 3.875 3.795 -1.737 1.00 0.00 N ATOM 1456 CA SER A 63 4.186 2.809 -2.755 1.00 0.00 C ATOM 1457 C SER A 63 4.777 1.570 -2.089 1.00 0.00 C ATOM 1458 O SER A 63 5.995 1.382 -2.056 1.00 0.00 O ATOM 1459 CB SER A 63 5.159 3.395 -3.778 1.00 0.00 C ATOM 1460 OG SER A 63 5.411 4.769 -3.511 1.00 0.00 O ATOM 0 H SER A 63 4.644 4.427 -1.512 1.00 0.00 H new ATOM 0 HA SER A 63 3.275 2.527 -3.283 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.096 2.838 -3.755 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.748 3.285 -4.781 1.00 0.00 H new ATOM 0 HG SER A 63 6.037 5.122 -4.177 1.00 0.00 H new ATOM 1466 N SER A 64 3.905 0.744 -1.527 1.00 0.00 N ATOM 1467 CA SER A 64 4.325 -0.430 -0.782 1.00 0.00 C ATOM 1468 C SER A 64 4.899 -1.496 -1.709 1.00 0.00 C ATOM 1469 O SER A 64 4.618 -1.515 -2.912 1.00 0.00 O ATOM 1470 CB SER A 64 3.132 -0.986 -0.008 1.00 0.00 C ATOM 1471 OG SER A 64 1.955 -0.262 -0.323 1.00 0.00 O ATOM 0 H SER A 64 2.894 0.869 -1.575 1.00 0.00 H new ATOM 0 HA SER A 64 5.112 -0.141 -0.086 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.993 -2.040 -0.250 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.326 -0.927 1.063 1.00 0.00 H new ATOM 0 HG SER A 64 1.199 -0.632 0.180 1.00 0.00 H new ATOM 1477 N TYR A 65 5.702 -2.383 -1.144 1.00 0.00 N ATOM 1478 CA TYR A 65 6.324 -3.449 -1.912 1.00 0.00 C ATOM 1479 C TYR A 65 5.876 -4.799 -1.382 1.00 0.00 C ATOM 1480 O TYR A 65 5.326 -4.894 -0.282 1.00 0.00 O ATOM 1481 CB TYR A 65 7.851 -3.349 -1.852 1.00 0.00 C ATOM 1482 CG TYR A 65 8.376 -1.931 -1.830 1.00 0.00 C ATOM 1483 CD1 TYR A 65 8.452 -1.179 -2.994 1.00 0.00 C ATOM 1484 CD2 TYR A 65 8.793 -1.345 -0.641 1.00 0.00 C ATOM 1485 CE1 TYR A 65 8.929 0.116 -2.975 1.00 0.00 C ATOM 1486 CE2 TYR A 65 9.272 -0.050 -0.615 1.00 0.00 C ATOM 1487 CZ TYR A 65 9.338 0.676 -1.785 1.00 0.00 C ATOM 1488 OH TYR A 65 9.817 1.966 -1.762 1.00 0.00 O ATOM 0 H TYR A 65 5.939 -2.385 -0.152 1.00 0.00 H new ATOM 0 HA TYR A 65 6.013 -3.346 -2.952 1.00 0.00 H new ATOM 0 HB2 TYR A 65 8.204 -3.870 -0.962 1.00 0.00 H new ATOM 0 HB3 TYR A 65 8.273 -3.868 -2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.133 -1.614 -3.930 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.742 -1.911 0.277 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.981 0.688 -3.890 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.593 0.392 0.317 1.00 0.00 H new ATOM 0 HH TYR A 65 9.800 2.337 -2.669 1.00 0.00 H new ATOM 1498 N THR A 66 6.099 -5.836 -2.166 1.00 0.00 N ATOM 1499 CA THR A 66 5.721 -7.172 -1.768 1.00 0.00 C ATOM 1500 C THR A 66 6.608 -8.217 -2.429 1.00 0.00 C ATOM 1501 O THR A 66 7.378 -7.915 -3.339 1.00 0.00 O ATOM 1502 CB THR A 66 4.239 -7.459 -2.100 1.00 0.00 C ATOM 1503 OG1 THR A 66 3.764 -8.552 -1.307 1.00 0.00 O ATOM 1504 CG2 THR A 66 4.042 -7.767 -3.579 1.00 0.00 C ATOM 0 H THR A 66 6.541 -5.776 -3.083 1.00 0.00 H new ATOM 0 HA THR A 66 5.854 -7.233 -0.688 1.00 0.00 H new ATOM 0 HB THR A 66 3.666 -6.561 -1.868 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.638 -8.254 -0.382 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.987 -7.963 -3.772 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.368 -6.914 -4.175 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.630 -8.644 -3.849 1.00 0.00 H new ATOM 1512 N LYS A 67 6.493 -9.442 -1.947 1.00 0.00 N ATOM 1513 CA LYS A 67 7.245 -10.562 -2.480 1.00 0.00 C ATOM 1514 C LYS A 67 6.352 -11.794 -2.529 1.00 0.00 C ATOM 1515 O LYS A 67 5.983 -12.271 -3.599 1.00 0.00 O ATOM 1516 CB LYS A 67 8.479 -10.826 -1.614 1.00 0.00 C ATOM 1517 CG LYS A 67 9.771 -10.957 -2.407 1.00 0.00 C ATOM 1518 CD LYS A 67 10.988 -10.646 -1.552 1.00 0.00 C ATOM 1519 CE LYS A 67 12.261 -11.220 -2.153 1.00 0.00 C ATOM 1520 NZ LYS A 67 13.140 -10.157 -2.708 1.00 0.00 N ATOM 0 H LYS A 67 5.874 -9.687 -1.174 1.00 0.00 H new ATOM 0 HA LYS A 67 7.580 -10.327 -3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.586 -10.014 -0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.321 -11.740 -1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.854 -11.969 -2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.744 -10.281 -3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.091 -9.566 -1.445 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.843 -11.053 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.803 -11.778 -1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.004 -11.927 -2.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.135 -10.442 -2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.921 -10.016 -3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.980 -9.269 -2.191 1.00 0.00 H new ATOM 1534 N SER A 68 5.979 -12.283 -1.356 1.00 0.00 N ATOM 1535 CA SER A 68 5.104 -13.437 -1.245 1.00 0.00 C ATOM 1536 C SER A 68 3.644 -13.008 -1.083 1.00 0.00 C ATOM 1537 O SER A 68 2.828 -13.739 -0.525 1.00 0.00 O ATOM 1538 CB SER A 68 5.547 -14.279 -0.050 1.00 0.00 C ATOM 1539 OG SER A 68 6.891 -13.981 0.294 1.00 0.00 O ATOM 0 H SER A 68 6.273 -11.893 -0.460 1.00 0.00 H new ATOM 0 HA SER A 68 5.173 -14.027 -2.159 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.895 -14.084 0.802 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.452 -15.338 -0.288 1.00 0.00 H new ATOM 0 HG SER A 68 6.920 -13.591 1.192 1.00 0.00 H new ATOM 1545 N GLY A 69 3.320 -11.811 -1.566 1.00 0.00 N ATOM 1546 CA GLY A 69 1.958 -11.317 -1.468 1.00 0.00 C ATOM 1547 C GLY A 69 1.655 -10.723 -0.107 1.00 0.00 C ATOM 1548 O GLY A 69 0.497 -10.516 0.247 1.00 0.00 O ATOM 0 H GLY A 69 3.975 -11.176 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.792 -10.562 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.263 -12.133 -1.668 1.00 0.00 H new ATOM 1552 N MET A 70 2.702 -10.448 0.660 1.00 0.00 N ATOM 1553 CA MET A 70 2.545 -9.862 1.984 1.00 0.00 C ATOM 1554 C MET A 70 2.561 -8.339 1.893 1.00 0.00 C ATOM 1555 O MET A 70 3.410 -7.764 1.212 1.00 0.00 O ATOM 1556 CB MET A 70 3.662 -10.343 2.914 1.00 0.00 C ATOM 1557 CG MET A 70 3.230 -11.441 3.876 1.00 0.00 C ATOM 1558 SD MET A 70 4.451 -11.748 5.171 1.00 0.00 S ATOM 1559 CE MET A 70 4.450 -13.540 5.217 1.00 0.00 C ATOM 0 H MET A 70 3.669 -10.622 0.387 1.00 0.00 H new ATOM 0 HA MET A 70 1.586 -10.181 2.393 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.493 -10.708 2.310 1.00 0.00 H new ATOM 0 HB3 MET A 70 4.034 -9.495 3.489 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.281 -11.164 4.335 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.058 -12.361 3.318 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.157 -13.885 5.971 1.00 0.00 H new ATOM 0 HE2 MET A 70 3.451 -13.897 5.466 1.00 0.00 H new ATOM 0 HE3 MET A 70 4.742 -13.929 4.241 1.00 0.00 H new ATOM 1569 N ILE A 71 1.620 -7.695 2.566 1.00 0.00 N ATOM 1570 CA ILE A 71 1.542 -6.236 2.568 1.00 0.00 C ATOM 1571 C ILE A 71 2.448 -5.668 3.651 1.00 0.00 C ATOM 1572 O ILE A 71 2.217 -5.892 4.841 1.00 0.00 O ATOM 1573 CB ILE A 71 0.101 -5.725 2.798 1.00 0.00 C ATOM 1574 CG1 ILE A 71 -0.929 -6.746 2.306 1.00 0.00 C ATOM 1575 CG2 ILE A 71 -0.102 -4.387 2.101 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -1.486 -7.624 3.408 1.00 0.00 C ATOM 0 H ILE A 71 0.898 -8.157 3.119 1.00 0.00 H new ATOM 0 HA ILE A 71 1.867 -5.898 1.584 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.045 -5.588 3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.751 -6.217 1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.468 -7.378 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.121 -4.039 2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.602 -3.658 2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.067 -4.505 1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.209 -8.322 2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.674 -8.181 3.875 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.977 -7.001 4.156 1.00 0.00 H new ATOM 1588 N LEU A 72 3.485 -4.957 3.236 1.00 0.00 N ATOM 1589 CA LEU A 72 4.458 -4.403 4.167 1.00 0.00 C ATOM 1590 C LEU A 72 4.911 -3.022 3.699 1.00 0.00 C ATOM 1591 O LEU A 72 4.788 -2.693 2.514 1.00 0.00 O ATOM 1592 CB LEU A 72 5.661 -5.345 4.279 1.00 0.00 C ATOM 1593 CG LEU A 72 5.652 -6.279 5.493 1.00 0.00 C ATOM 1594 CD1 LEU A 72 4.876 -7.553 5.206 1.00 0.00 C ATOM 1595 CD2 LEU A 72 7.069 -6.620 5.911 1.00 0.00 C ATOM 0 H LEU A 72 3.676 -4.749 2.256 1.00 0.00 H new ATOM 0 HA LEU A 72 3.993 -4.301 5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.711 -5.952 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.570 -4.744 4.311 1.00 0.00 H new ATOM 0 HG LEU A 72 5.155 -5.754 6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.889 -8.194 6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.845 -7.302 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.336 -8.078 4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.044 -7.284 6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.582 -7.116 5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.601 -5.705 6.172 1.00 0.00 H new ATOM 1607 N CYS A 73 5.434 -2.219 4.623 1.00 0.00 N ATOM 1608 CA CYS A 73 5.873 -0.870 4.295 1.00 0.00 C ATOM 1609 C CYS A 73 7.304 -0.879 3.759 1.00 0.00 C ATOM 1610 O CYS A 73 7.876 -1.933 3.497 1.00 0.00 O ATOM 1611 CB CYS A 73 5.770 0.066 5.505 1.00 0.00 C ATOM 1612 SG CYS A 73 4.279 -0.166 6.523 1.00 0.00 S ATOM 0 H CYS A 73 5.563 -2.480 5.601 1.00 0.00 H new ATOM 0 HA CYS A 73 5.208 -0.493 3.518 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.649 -0.078 6.134 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.796 1.097 5.153 1.00 0.00 H new ATOM 1617 N ARG A 74 7.877 0.304 3.617 1.00 0.00 N ATOM 1618 CA ARG A 74 9.178 0.462 2.977 1.00 0.00 C ATOM 1619 C ARG A 74 10.301 -0.191 3.786 1.00 0.00 C ATOM 1620 O ARG A 74 11.016 -1.060 3.281 1.00 0.00 O ATOM 1621 CB ARG A 74 9.488 1.947 2.769 1.00 0.00 C ATOM 1622 CG ARG A 74 8.275 2.785 2.391 1.00 0.00 C ATOM 1623 CD ARG A 74 8.224 3.039 0.895 1.00 0.00 C ATOM 1624 NE ARG A 74 7.584 4.314 0.574 1.00 0.00 N ATOM 1625 CZ ARG A 74 7.590 4.857 -0.644 1.00 0.00 C ATOM 1626 NH1 ARG A 74 8.216 4.240 -1.638 1.00 0.00 N ATOM 1627 NH2 ARG A 74 6.974 6.011 -0.862 1.00 0.00 N ATOM 0 H ARG A 74 7.460 1.178 3.938 1.00 0.00 H new ATOM 0 HA ARG A 74 9.127 -0.042 2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 74 9.923 2.348 3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.242 2.044 1.988 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.365 2.274 2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.308 3.736 2.923 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.237 3.031 0.492 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.681 2.229 0.409 1.00 0.00 H new ATOM 0 HE ARG A 74 7.107 4.816 1.323 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.691 3.353 -1.469 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.222 4.653 -2.571 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.494 6.485 -0.097 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.980 6.424 -1.795 1.00 0.00 H new ATOM 1641 N ASN A 75 10.439 0.206 5.043 1.00 0.00 N ATOM 1642 CA ASN A 75 11.574 -0.225 5.858 1.00 0.00 C ATOM 1643 C ASN A 75 11.404 -1.665 6.338 1.00 0.00 C ATOM 1644 O ASN A 75 12.339 -2.465 6.279 1.00 0.00 O ATOM 1645 CB ASN A 75 11.771 0.740 7.044 1.00 0.00 C ATOM 1646 CG ASN A 75 11.668 0.074 8.410 1.00 0.00 C ATOM 1647 OD1 ASN A 75 12.649 -0.454 8.938 1.00 0.00 O ATOM 1648 ND2 ASN A 75 10.480 0.102 8.993 1.00 0.00 N ATOM 0 H ASN A 75 9.784 0.823 5.522 1.00 0.00 H new ATOM 0 HA ASN A 75 12.470 -0.199 5.238 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.749 1.213 6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 75 11.026 1.533 6.981 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.352 -0.323 9.911 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.692 0.549 8.524 1.00 0.00 H new ATOM 1655 N ASP A 76 10.203 -1.999 6.785 1.00 0.00 N ATOM 1656 CA ASP A 76 9.936 -3.304 7.372 1.00 0.00 C ATOM 1657 C ASP A 76 10.009 -4.406 6.323 1.00 0.00 C ATOM 1658 O ASP A 76 10.442 -5.520 6.619 1.00 0.00 O ATOM 1659 CB ASP A 76 8.573 -3.343 8.090 1.00 0.00 C ATOM 1660 CG ASP A 76 7.580 -2.300 7.592 1.00 0.00 C ATOM 1661 OD1 ASP A 76 7.946 -1.100 7.543 1.00 0.00 O ATOM 1662 OD2 ASP A 76 6.439 -2.682 7.256 1.00 0.00 O ATOM 0 H ASP A 76 9.393 -1.380 6.752 1.00 0.00 H new ATOM 0 HA ASP A 76 10.713 -3.480 8.116 1.00 0.00 H new ATOM 0 HB2 ASP A 76 8.136 -4.334 7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 76 8.732 -3.197 9.158 1.00 0.00 H new ATOM 1667 N TYR A 77 9.605 -4.100 5.094 1.00 0.00 N ATOM 1668 CA TYR A 77 9.669 -5.083 4.020 1.00 0.00 C ATOM 1669 C TYR A 77 11.120 -5.415 3.684 1.00 0.00 C ATOM 1670 O TYR A 77 11.466 -6.581 3.489 1.00 0.00 O ATOM 1671 CB TYR A 77 8.944 -4.586 2.768 1.00 0.00 C ATOM 1672 CG TYR A 77 9.329 -5.336 1.518 1.00 0.00 C ATOM 1673 CD1 TYR A 77 8.962 -6.663 1.338 1.00 0.00 C ATOM 1674 CD2 TYR A 77 10.082 -4.721 0.526 1.00 0.00 C ATOM 1675 CE1 TYR A 77 9.331 -7.356 0.202 1.00 0.00 C ATOM 1676 CE2 TYR A 77 10.458 -5.407 -0.611 1.00 0.00 C ATOM 1677 CZ TYR A 77 10.078 -6.723 -0.768 1.00 0.00 C ATOM 1678 OH TYR A 77 10.463 -7.414 -1.889 1.00 0.00 O ATOM 0 H TYR A 77 9.234 -3.190 4.820 1.00 0.00 H new ATOM 0 HA TYR A 77 9.169 -5.986 4.369 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.868 -4.675 2.920 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.159 -3.527 2.628 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.379 -7.161 2.098 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.378 -3.689 0.646 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.036 -8.387 0.074 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.046 -4.916 -1.373 1.00 0.00 H new ATOM 0 HH TYR A 77 11.435 -7.542 -1.877 1.00 0.00 H new ATOM 1688 N ILE A 78 11.961 -4.389 3.619 1.00 0.00 N ATOM 1689 CA ILE A 78 13.377 -4.577 3.316 1.00 0.00 C ATOM 1690 C ILE A 78 14.039 -5.434 4.389 1.00 0.00 C ATOM 1691 O ILE A 78 14.855 -6.305 4.088 1.00 0.00 O ATOM 1692 CB ILE A 78 14.114 -3.222 3.198 1.00 0.00 C ATOM 1693 CG1 ILE A 78 13.613 -2.453 1.974 1.00 0.00 C ATOM 1694 CG2 ILE A 78 15.623 -3.420 3.121 1.00 0.00 C ATOM 1695 CD1 ILE A 78 13.715 -3.232 0.679 1.00 0.00 C ATOM 0 H ILE A 78 11.688 -3.418 3.772 1.00 0.00 H new ATOM 0 HA ILE A 78 13.445 -5.086 2.355 1.00 0.00 H new ATOM 0 HB ILE A 78 13.898 -2.640 4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.573 -2.169 2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 78 14.184 -1.530 1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 78 16.113 -2.450 3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.970 -3.927 4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.866 -4.025 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 78 13.341 -2.622 -0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 78 14.757 -3.493 0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 78 13.121 -4.143 0.754 1.00 0.00 H new ATOM 1707 N ARG A 79 13.665 -5.190 5.637 1.00 0.00 N ATOM 1708 CA ARG A 79 14.199 -5.952 6.759 1.00 0.00 C ATOM 1709 C ARG A 79 13.745 -7.412 6.691 1.00 0.00 C ATOM 1710 O ARG A 79 14.553 -8.333 6.840 1.00 0.00 O ATOM 1711 CB ARG A 79 13.748 -5.319 8.077 1.00 0.00 C ATOM 1712 CG ARG A 79 14.024 -6.178 9.301 1.00 0.00 C ATOM 1713 CD ARG A 79 15.143 -5.602 10.151 1.00 0.00 C ATOM 1714 NE ARG A 79 15.577 -6.540 11.184 1.00 0.00 N ATOM 1715 CZ ARG A 79 16.065 -6.173 12.368 1.00 0.00 C ATOM 1716 NH1 ARG A 79 16.192 -4.883 12.671 1.00 0.00 N ATOM 1717 NH2 ARG A 79 16.438 -7.093 13.247 1.00 0.00 N ATOM 0 H ARG A 79 12.993 -4.469 5.899 1.00 0.00 H new ATOM 0 HA ARG A 79 15.287 -5.932 6.705 1.00 0.00 H new ATOM 0 HB2 ARG A 79 14.251 -4.359 8.198 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.679 -5.114 8.023 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.117 -6.260 9.900 1.00 0.00 H new ATOM 0 HG3 ARG A 79 14.289 -7.187 8.985 1.00 0.00 H new ATOM 0 HD2 ARG A 79 15.989 -5.346 9.513 1.00 0.00 H new ATOM 0 HD3 ARG A 79 14.805 -4.677 10.618 1.00 0.00 H new ATOM 0 HE ARG A 79 15.502 -7.538 10.986 1.00 0.00 H new ATOM 0 HH11 ARG A 79 15.915 -4.171 11.995 1.00 0.00 H new ATOM 0 HH12 ARG A 79 16.566 -4.607 13.579 1.00 0.00 H new ATOM 0 HH21 ARG A 79 16.351 -8.083 13.017 1.00 0.00 H new ATOM 0 HH22 ARG A 79 16.812 -6.811 14.153 1.00 0.00 H new ATOM 1731 N LEU A 80 12.451 -7.608 6.451 1.00 0.00 N ATOM 1732 CA LEU A 80 11.852 -8.935 6.451 1.00 0.00 C ATOM 1733 C LEU A 80 12.237 -9.736 5.206 1.00 0.00 C ATOM 1734 O LEU A 80 12.801 -10.827 5.309 1.00 0.00 O ATOM 1735 CB LEU A 80 10.330 -8.810 6.549 1.00 0.00 C ATOM 1736 CG LEU A 80 9.674 -9.756 7.553 1.00 0.00 C ATOM 1737 CD1 LEU A 80 8.540 -9.060 8.284 1.00 0.00 C ATOM 1738 CD2 LEU A 80 9.170 -11.002 6.849 1.00 0.00 C ATOM 0 H LEU A 80 11.793 -6.854 6.252 1.00 0.00 H new ATOM 0 HA LEU A 80 12.234 -9.477 7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.080 -7.784 6.820 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.900 -8.993 5.564 1.00 0.00 H new ATOM 0 HG LEU A 80 10.422 -10.051 8.289 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.086 -9.751 8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.929 -8.194 8.819 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.789 -8.734 7.564 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.705 -11.668 7.576 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.437 -10.721 6.093 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.006 -11.513 6.372 1.00 0.00 H new ATOM 1750 N PHE A 81 11.933 -9.192 4.037 1.00 0.00 N ATOM 1751 CA PHE A 81 12.166 -9.898 2.783 1.00 0.00 C ATOM 1752 C PHE A 81 13.331 -9.297 2.006 1.00 0.00 C ATOM 1753 O PHE A 81 14.337 -9.963 1.762 1.00 0.00 O ATOM 1754 CB PHE A 81 10.916 -9.855 1.907 1.00 0.00 C ATOM 1755 CG PHE A 81 9.749 -10.622 2.455 1.00 0.00 C ATOM 1756 CD1 PHE A 81 9.649 -11.991 2.263 1.00 0.00 C ATOM 1757 CD2 PHE A 81 8.746 -9.971 3.152 1.00 0.00 C ATOM 1758 CE1 PHE A 81 8.569 -12.696 2.758 1.00 0.00 C ATOM 1759 CE2 PHE A 81 7.664 -10.672 3.650 1.00 0.00 C ATOM 1760 CZ PHE A 81 7.575 -12.038 3.452 1.00 0.00 C ATOM 0 H PHE A 81 11.524 -8.264 3.929 1.00 0.00 H new ATOM 0 HA PHE A 81 12.409 -10.930 3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 81 10.619 -8.815 1.769 1.00 0.00 H new ATOM 0 HB3 PHE A 81 11.164 -10.249 0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 81 10.424 -12.512 1.721 1.00 0.00 H new ATOM 0 HD2 PHE A 81 8.810 -8.904 3.308 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.503 -13.763 2.602 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.888 -10.153 4.194 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.730 -12.588 3.840 1.00 0.00 H new ATOM 1770 N GLY A 82 13.183 -8.038 1.618 1.00 0.00 N ATOM 1771 CA GLY A 82 14.168 -7.406 0.768 1.00 0.00 C ATOM 1772 C GLY A 82 14.079 -7.916 -0.656 1.00 0.00 C ATOM 1773 O GLY A 82 15.126 -8.262 -1.240 1.00 0.00 O ATOM 1774 OXT GLY A 82 12.952 -7.994 -1.193 1.00 0.00 O ATOM 0 H GLY A 82 12.396 -7.443 1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.021 -6.326 0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.166 -7.596 1.162 1.00 0.00 H new TER 1778 GLY A 82 HETATM 1779 ZN ZN A 101 -11.468 -7.199 4.142 1.00 0.00 ZN HETATM 1780 ZN ZN A 102 4.692 -1.905 7.908 1.00 0.00 ZN