USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1057 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: B 99 HIS HD1 : B 99 HIS ND1 : B 138 ZNZN :(H bumps) USER MOD NoAdj-H: B 102 HIS HD1 : B 102 HIS ND1 : B 138 ZNZN :(H bumps) USER MOD NoAdj-H: B 129 HIS HD1 : B 129 HIS ND1 : B 139 ZNZN :(H bumps) USER MOD Set 1.1: A 48 ASN : amide:sc= -26.2! C(o=-27!,f=-20!) USER MOD Set 1.2: A 52 GLN : amide:sc= -1.01 K(o=-27,f=-25) USER MOD Set 2.1: A 31 MET CE :methyl -155:sc= -1.18 (180deg=-3.28!) USER MOD Set 2.2: A 46 CYS SG : rot 13:sc= 0.616 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -173:sc= -0.296 (180deg=-0.448) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -1.1 X(o=-1.1,f=-1.3) USER MOD Single : A 10 GLN : amide:sc= -0.0166 K(o=-0.017,f=-1.7!) USER MOD Single : A 11 THR OG1 : rot -124:sc= 1.27! USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 170:sc= -2.37 USER MOD Single : A 19 THR OG1 : rot -150:sc= -1.49 USER MOD Single : A 24 ASN : amide:sc= -1.85 K(o=-1.8,f=-0.24) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.15) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -148:sc= -16.4! (180deg=-18.6!) USER MOD Single : A 39 ASN : amide:sc= -0.0458 K(o=-0.046,f=-2.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -140:sc= -2.01! (180deg=-5.52!) USER MOD Single : A 59 ASN : amide:sc= -4.18! C(o=-4.2!,f=-17!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 176:sc= -7.13! USER MOD Single : A 71 HIS : no HD1:sc= -0.688 K(o=-0.69,f=-1.9!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 MET CE :methyl 175:sc= 0 (180deg=-0.0257) USER MOD Single : B 92 ASN : amide:sc= -4.18! K(o=-4.2!,f=-0.36) USER MOD Single : B 94 MET CE :methyl -160:sc= -1.23 (180deg=-3.21!) USER MOD Single : B 96 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0983) USER MOD Single : B 97 GLN : amide:sc= -6.97! K(o=-7!,f=-1.8) USER MOD Single : B 107 LYS NZ :NH3+ -153:sc= -1.07 (180deg=-2.72!) USER MOD Single : B 110 LYS NZ :NH3+ 150:sc= -0.197 (180deg=-0.989) USER MOD Single : B 115 HIS : no HD1:sc= -2.05 K(o=-2.1,f=-0.62) USER MOD Single : B 117 HIS : no HD1:sc= -0.451 K(o=-0.45,f=-1) USER MOD Single : B 118 TYR OH : rot 7:sc= -0.604 USER MOD Single : B 121 LYS NZ :NH3+ -164:sc=-0.00336 (180deg=-0.199) USER MOD Single : B 125 TYR OH : rot 150:sc= 0 USER MOD Single : B 128 THR OG1 : rot 180:sc= 0 USER MOD Single : B 130 TYR OH : rot -107:sc= 0.764 USER MOD Single : B 131 ASN : amide:sc= -0.591 K(o=-0.59,f=-5.5!) USER MOD Single : B 132 GLN : amide:sc= -0.662 K(o=-0.66,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -11.765 -10.437 -28.098 1.00 0.00 N ATOM 2 CA GLN A 1 -10.599 -9.954 -28.889 1.00 0.00 C ATOM 3 C GLN A 1 -9.665 -9.149 -27.983 1.00 0.00 C ATOM 4 O GLN A 1 -8.711 -8.549 -28.435 1.00 0.00 O ATOM 5 CB GLN A 1 -11.091 -9.061 -30.032 1.00 0.00 C ATOM 6 CG GLN A 1 -12.067 -9.849 -30.910 1.00 0.00 C ATOM 7 CD GLN A 1 -12.321 -9.077 -32.207 1.00 0.00 C ATOM 8 OE1 GLN A 1 -11.864 -9.472 -33.261 1.00 0.00 O ATOM 9 NE2 GLN A 1 -13.036 -7.986 -32.174 1.00 0.00 N ATOM 0 H1 GLN A 1 -12.337 -11.081 -28.681 1.00 0.00 H new ATOM 0 H2 GLN A 1 -11.427 -10.942 -27.254 1.00 0.00 H new ATOM 0 H3 GLN A 1 -12.346 -9.626 -27.806 1.00 0.00 H new ATOM 0 HA GLN A 1 -10.061 -10.809 -29.299 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -11.581 -8.174 -29.630 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -10.246 -8.716 -30.628 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -11.658 -10.834 -31.134 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -13.005 -10.007 -30.378 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -13.420 -7.654 -31.289 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -13.211 -7.465 -33.033 1.00 0.00 H new ATOM 20 N GLY A 2 -9.933 -9.133 -26.704 1.00 0.00 N ATOM 21 CA GLY A 2 -9.059 -8.370 -25.770 1.00 0.00 C ATOM 22 C GLY A 2 -9.405 -8.740 -24.329 1.00 0.00 C ATOM 23 O GLY A 2 -10.033 -7.981 -23.616 1.00 0.00 O ATOM 0 H GLY A 2 -10.719 -9.615 -26.268 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.011 -8.593 -25.972 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.192 -7.299 -25.924 1.00 0.00 H new ATOM 27 N SER A 3 -8.999 -9.900 -23.890 1.00 0.00 N ATOM 28 CA SER A 3 -9.307 -10.315 -22.495 1.00 0.00 C ATOM 29 C SER A 3 -8.377 -11.458 -22.084 1.00 0.00 C ATOM 30 O SER A 3 -8.760 -12.352 -21.355 1.00 0.00 O ATOM 31 CB SER A 3 -10.759 -10.785 -22.409 1.00 0.00 C ATOM 32 OG SER A 3 -10.931 -11.928 -23.233 1.00 0.00 O ATOM 0 H SER A 3 -8.468 -10.577 -24.438 1.00 0.00 H new ATOM 0 HA SER A 3 -9.160 -9.468 -21.826 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.015 -11.024 -21.377 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.431 -9.988 -22.728 1.00 0.00 H new ATOM 0 HG SER A 3 -11.861 -12.233 -23.179 1.00 0.00 H new ATOM 38 N ARG A 4 -7.157 -11.436 -22.543 1.00 0.00 N ATOM 39 CA ARG A 4 -6.202 -12.521 -22.174 1.00 0.00 C ATOM 40 C ARG A 4 -5.780 -12.342 -20.716 1.00 0.00 C ATOM 41 O ARG A 4 -5.709 -11.239 -20.213 1.00 0.00 O ATOM 42 CB ARG A 4 -4.967 -12.446 -23.078 1.00 0.00 C ATOM 43 CG ARG A 4 -4.000 -13.579 -22.721 1.00 0.00 C ATOM 44 CD ARG A 4 -2.811 -13.572 -23.686 1.00 0.00 C ATOM 45 NE ARG A 4 -3.292 -13.461 -25.105 1.00 0.00 N ATOM 46 CZ ARG A 4 -4.128 -14.324 -25.618 1.00 0.00 C ATOM 47 NH1 ARG A 4 -4.442 -15.410 -24.969 1.00 0.00 N ATOM 48 NH2 ARG A 4 -4.613 -14.122 -26.814 1.00 0.00 N ATOM 0 H ARG A 4 -6.779 -10.715 -23.157 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.682 -13.491 -22.301 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.264 -12.524 -24.124 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.474 -11.482 -22.958 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.649 -13.460 -21.696 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.515 -14.538 -22.772 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.149 -12.738 -23.453 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.228 -14.485 -23.563 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.957 -12.691 -25.684 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.034 -15.592 -24.052 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.096 -16.078 -25.378 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.339 -13.294 -27.342 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.266 -14.792 -27.219 1.00 0.00 H new ATOM 62 N VAL A 5 -5.498 -13.416 -20.029 1.00 0.00 N ATOM 63 CA VAL A 5 -5.083 -13.295 -18.605 1.00 0.00 C ATOM 64 C VAL A 5 -3.730 -12.580 -18.535 1.00 0.00 C ATOM 65 O VAL A 5 -2.685 -13.197 -18.618 1.00 0.00 O ATOM 66 CB VAL A 5 -4.959 -14.689 -17.991 1.00 0.00 C ATOM 67 CG1 VAL A 5 -4.674 -14.567 -16.493 1.00 0.00 C ATOM 68 CG2 VAL A 5 -6.271 -15.451 -18.197 1.00 0.00 C ATOM 0 H VAL A 5 -5.537 -14.368 -20.392 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.828 -12.723 -18.052 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.142 -15.226 -18.472 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.586 -15.562 -16.057 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.742 -14.021 -16.343 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.490 -14.030 -16.010 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.186 -16.446 -17.760 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.085 -14.911 -17.714 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.477 -15.539 -19.264 1.00 0.00 H new ATOM 78 N LEU A 6 -3.748 -11.282 -18.365 1.00 0.00 N ATOM 79 CA LEU A 6 -2.481 -10.492 -18.268 1.00 0.00 C ATOM 80 C LEU A 6 -2.473 -9.771 -16.927 1.00 0.00 C ATOM 81 O LEU A 6 -1.555 -9.892 -16.140 1.00 0.00 O ATOM 82 CB LEU A 6 -2.425 -9.459 -19.402 1.00 0.00 C ATOM 83 CG LEU A 6 -2.202 -10.163 -20.754 1.00 0.00 C ATOM 84 CD1 LEU A 6 -2.683 -9.257 -21.892 1.00 0.00 C ATOM 85 CD2 LEU A 6 -0.708 -10.462 -20.960 1.00 0.00 C ATOM 0 H LEU A 6 -4.600 -10.727 -18.288 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.619 -11.154 -18.351 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.353 -8.888 -19.430 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.619 -8.748 -19.217 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.763 -11.097 -20.755 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.524 -9.757 -22.847 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.745 -9.046 -21.765 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.123 -8.322 -21.874 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.565 -10.959 -21.919 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.145 -9.529 -20.948 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.353 -11.110 -20.159 1.00 0.00 H new ATOM 97 N HIS A 7 -3.511 -9.023 -16.659 1.00 0.00 N ATOM 98 CA HIS A 7 -3.604 -8.286 -15.372 1.00 0.00 C ATOM 99 C HIS A 7 -5.067 -8.244 -14.930 1.00 0.00 C ATOM 100 O HIS A 7 -5.715 -7.221 -15.001 1.00 0.00 O ATOM 101 CB HIS A 7 -3.087 -6.857 -15.562 1.00 0.00 C ATOM 102 CG HIS A 7 -1.672 -6.903 -16.071 1.00 0.00 C ATOM 103 ND1 HIS A 7 -0.606 -7.265 -15.263 1.00 0.00 N ATOM 104 CD2 HIS A 7 -1.133 -6.630 -17.305 1.00 0.00 C ATOM 105 CE1 HIS A 7 0.509 -7.202 -16.012 1.00 0.00 C ATOM 106 NE2 HIS A 7 0.245 -6.821 -17.265 1.00 0.00 N ATOM 0 H HIS A 7 -4.305 -8.892 -17.286 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.002 -8.788 -14.614 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.722 -6.319 -16.266 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.128 -6.315 -14.617 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -0.658 -7.531 -14.280 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.693 -6.315 -18.173 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.498 -7.432 -15.645 1.00 0.00 H new ATOM 114 N VAL A 8 -5.589 -9.343 -14.461 1.00 0.00 N ATOM 115 CA VAL A 8 -7.005 -9.350 -14.002 1.00 0.00 C ATOM 116 C VAL A 8 -7.060 -8.512 -12.731 1.00 0.00 C ATOM 117 O VAL A 8 -6.043 -8.322 -12.094 1.00 0.00 O ATOM 118 CB VAL A 8 -7.437 -10.789 -13.705 1.00 0.00 C ATOM 119 CG1 VAL A 8 -8.958 -10.849 -13.588 1.00 0.00 C ATOM 120 CG2 VAL A 8 -6.983 -11.705 -14.845 1.00 0.00 C ATOM 0 H VAL A 8 -5.098 -10.233 -14.376 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.673 -8.944 -14.762 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.984 -11.117 -12.770 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.267 -11.873 -13.377 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.287 -10.197 -12.779 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.408 -10.520 -14.525 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.291 -12.729 -14.633 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.437 -11.375 -15.779 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.898 -11.663 -14.935 1.00 0.00 H new ATOM 130 N VAL A 9 -8.202 -7.982 -12.340 1.00 0.00 N ATOM 131 CA VAL A 9 -8.209 -7.142 -11.100 1.00 0.00 C ATOM 132 C VAL A 9 -9.512 -7.304 -10.318 1.00 0.00 C ATOM 133 O VAL A 9 -10.598 -7.204 -10.853 1.00 0.00 O ATOM 134 CB VAL A 9 -8.007 -5.660 -11.480 1.00 0.00 C ATOM 135 CG1 VAL A 9 -6.894 -5.532 -12.524 1.00 0.00 C ATOM 136 CG2 VAL A 9 -9.302 -5.097 -12.071 1.00 0.00 C ATOM 0 H VAL A 9 -9.100 -8.091 -12.811 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.393 -7.476 -10.460 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.734 -5.104 -10.583 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.759 -4.482 -12.785 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.964 -5.926 -12.114 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.165 -6.096 -13.416 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.155 -4.050 -12.338 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.572 -5.664 -12.962 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.102 -5.175 -11.335 1.00 0.00 H new ATOM 146 N GLN A 10 -9.393 -7.528 -9.035 1.00 0.00 N ATOM 147 CA GLN A 10 -10.588 -7.678 -8.161 1.00 0.00 C ATOM 148 C GLN A 10 -10.839 -6.359 -7.425 1.00 0.00 C ATOM 149 O GLN A 10 -9.950 -5.794 -6.819 1.00 0.00 O ATOM 150 CB GLN A 10 -10.342 -8.791 -7.140 1.00 0.00 C ATOM 151 CG GLN A 10 -11.576 -8.961 -6.253 1.00 0.00 C ATOM 152 CD GLN A 10 -11.387 -10.176 -5.343 1.00 0.00 C ATOM 153 OE1 GLN A 10 -10.533 -11.005 -5.590 1.00 0.00 O ATOM 154 NE2 GLN A 10 -12.150 -10.319 -4.295 1.00 0.00 N ATOM 0 H GLN A 10 -8.500 -7.614 -8.550 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.456 -7.933 -8.769 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.120 -9.726 -7.654 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.473 -8.550 -6.528 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.732 -8.065 -5.653 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.465 -9.090 -6.870 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.867 -9.624 -4.087 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.030 -11.126 -3.683 1.00 0.00 H new ATOM 163 N THR A 11 -12.043 -5.868 -7.478 1.00 0.00 N ATOM 164 CA THR A 11 -12.372 -4.586 -6.792 1.00 0.00 C ATOM 165 C THR A 11 -12.198 -4.725 -5.293 1.00 0.00 C ATOM 166 O THR A 11 -12.304 -5.790 -4.720 1.00 0.00 O ATOM 167 CB THR A 11 -13.816 -4.224 -7.083 1.00 0.00 C ATOM 168 OG1 THR A 11 -14.026 -4.227 -8.486 1.00 0.00 O ATOM 169 CG2 THR A 11 -14.159 -2.841 -6.505 1.00 0.00 C ATOM 0 H THR A 11 -12.822 -6.303 -7.972 1.00 0.00 H new ATOM 0 HA THR A 11 -11.701 -3.810 -7.159 1.00 0.00 H new ATOM 0 HB THR A 11 -14.466 -4.961 -6.612 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.374 -3.355 -8.767 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.199 -2.602 -6.726 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.010 -2.851 -5.425 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.511 -2.088 -6.954 1.00 0.00 H new ATOM 177 N LEU A 12 -11.947 -3.622 -4.667 1.00 5.40 N ATOM 178 CA LEU A 12 -11.766 -3.577 -3.188 1.00 9.02 C ATOM 179 C LEU A 12 -12.921 -2.759 -2.616 1.00 10.54 C ATOM 180 O LEU A 12 -13.205 -2.807 -1.435 1.00 10.21 O ATOM 181 CB LEU A 12 -10.433 -2.864 -2.835 1.00 7.97 C ATOM 182 CG LEU A 12 -9.150 -3.773 -2.931 1.00 7.96 C ATOM 183 CD1 LEU A 12 -8.806 -4.018 -4.401 1.00 6.40 C ATOM 184 CD2 LEU A 12 -7.900 -3.172 -2.263 1.00 6.66 C ATOM 0 H LEU A 12 -11.855 -2.717 -5.128 1.00 5.40 H new ATOM 0 HA LEU A 12 -11.746 -4.587 -2.780 1.00 9.02 H new ATOM 0 HB2 LEU A 12 -10.307 -2.011 -3.501 1.00 7.97 H new ATOM 0 HB3 LEU A 12 -10.506 -2.469 -1.822 1.00 7.97 H new ATOM 0 HG LEU A 12 -9.403 -4.691 -2.401 1.00 7.96 H new ATOM 0 HD11 LEU A 12 -7.918 -4.647 -4.467 1.00 6.40 H new ATOM 0 HD12 LEU A 12 -9.642 -4.517 -4.892 1.00 6.40 H new ATOM 0 HD13 LEU A 12 -8.613 -3.065 -4.893 1.00 6.40 H new ATOM 0 HD21 LEU A 12 -7.062 -3.860 -2.374 1.00 6.66 H new ATOM 0 HD22 LEU A 12 -7.655 -2.222 -2.738 1.00 6.66 H new ATOM 0 HD23 LEU A 12 -8.097 -3.008 -1.204 1.00 6.66 H new ATOM 196 N TYR A 13 -13.596 -1.996 -3.445 1.00 12.19 N ATOM 197 CA TYR A 13 -14.736 -1.169 -2.928 1.00 12.32 C ATOM 198 C TYR A 13 -15.816 -0.976 -4.022 1.00 14.17 C ATOM 199 O TYR A 13 -15.475 -0.842 -5.181 1.00 14.79 O ATOM 200 CB TYR A 13 -14.204 0.207 -2.511 1.00 14.83 C ATOM 201 CG TYR A 13 -12.906 0.041 -1.755 1.00 15.75 C ATOM 202 CD1 TYR A 13 -12.924 -0.356 -0.412 1.00 18.39 C ATOM 203 CD2 TYR A 13 -11.685 0.283 -2.396 1.00 10.85 C ATOM 204 CE1 TYR A 13 -11.721 -0.509 0.289 1.00 12.56 C ATOM 205 CE2 TYR A 13 -10.483 0.130 -1.696 1.00 10.94 C ATOM 206 CZ TYR A 13 -10.502 -0.266 -0.353 1.00 12.35 C ATOM 207 OH TYR A 13 -9.315 -0.416 0.337 1.00 12.20 O ATOM 0 H TYR A 13 -13.411 -1.910 -4.444 1.00 12.19 H new ATOM 0 HA TYR A 13 -15.184 -1.683 -2.078 1.00 12.32 H new ATOM 0 HB2 TYR A 13 -14.046 0.829 -3.392 1.00 14.83 H new ATOM 0 HB3 TYR A 13 -14.937 0.718 -1.887 1.00 14.83 H new ATOM 0 HD1 TYR A 13 -13.865 -0.544 0.083 1.00 18.39 H new ATOM 0 HD2 TYR A 13 -11.671 0.588 -3.432 1.00 10.85 H new ATOM 0 HE1 TYR A 13 -11.734 -0.814 1.325 1.00 12.56 H new ATOM 0 HE2 TYR A 13 -9.542 0.317 -2.191 1.00 10.94 H new ATOM 0 HH TYR A 13 -8.563 -0.209 -0.257 1.00 12.20 H new ATOM 217 N PRO A 14 -17.096 -0.934 -3.642 1.00 0.00 N ATOM 218 CA PRO A 14 -18.188 -0.720 -4.622 1.00 0.00 C ATOM 219 C PRO A 14 -18.172 0.749 -5.079 1.00 0.00 C ATOM 220 O PRO A 14 -18.913 1.571 -4.578 1.00 0.00 O ATOM 221 CB PRO A 14 -19.481 -1.026 -3.837 1.00 0.00 C ATOM 222 CG PRO A 14 -19.109 -0.991 -2.329 1.00 0.00 C ATOM 223 CD PRO A 14 -17.570 -1.099 -2.241 1.00 0.00 C ATOM 0 HA PRO A 14 -18.095 -1.344 -5.511 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -20.253 -0.290 -4.062 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.880 -2.002 -4.114 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.458 -0.067 -1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.585 -1.814 -1.795 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.156 -0.329 -1.590 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.264 -2.061 -1.831 1.00 0.00 H new ATOM 231 N PHE A 15 -17.324 1.088 -6.004 1.00 0.00 N ATOM 232 CA PHE A 15 -17.254 2.507 -6.463 1.00 0.00 C ATOM 233 C PHE A 15 -18.482 2.871 -7.291 1.00 0.00 C ATOM 234 O PHE A 15 -19.273 2.029 -7.665 1.00 0.00 O ATOM 235 CB PHE A 15 -16.011 2.711 -7.324 1.00 0.00 C ATOM 236 CG PHE A 15 -15.787 4.193 -7.596 1.00 0.00 C ATOM 237 CD1 PHE A 15 -15.645 5.106 -6.536 1.00 0.00 C ATOM 238 CD2 PHE A 15 -15.714 4.657 -8.921 1.00 0.00 C ATOM 239 CE1 PHE A 15 -15.434 6.465 -6.801 1.00 0.00 C ATOM 240 CE2 PHE A 15 -15.503 6.016 -9.180 1.00 0.00 C ATOM 241 CZ PHE A 15 -15.363 6.919 -8.123 1.00 0.00 C ATOM 0 H PHE A 15 -16.676 0.449 -6.464 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.213 3.145 -5.580 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -15.140 2.292 -6.820 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -16.122 2.175 -8.267 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -15.699 4.758 -5.515 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.821 3.963 -9.741 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -15.326 7.163 -5.984 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.448 6.368 -10.200 1.00 0.00 H new ATOM 0 HZ PHE A 15 -15.200 7.967 -8.326 1.00 0.00 H new ATOM 251 N SER A 16 -18.633 4.137 -7.585 1.00 0.00 N ATOM 252 CA SER A 16 -19.797 4.600 -8.402 1.00 0.00 C ATOM 253 C SER A 16 -19.322 5.632 -9.420 1.00 0.00 C ATOM 254 O SER A 16 -18.941 6.735 -9.084 1.00 0.00 O ATOM 255 CB SER A 16 -20.850 5.226 -7.487 1.00 0.00 C ATOM 256 OG SER A 16 -21.441 4.208 -6.689 1.00 0.00 O ATOM 0 H SER A 16 -17.995 4.877 -7.292 1.00 0.00 H new ATOM 0 HA SER A 16 -20.236 3.750 -8.925 1.00 0.00 H new ATOM 0 HB2 SER A 16 -20.392 5.984 -6.851 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.613 5.728 -8.081 1.00 0.00 H new ATOM 0 HG SER A 16 -22.116 4.605 -6.099 1.00 0.00 H new ATOM 262 N SER A 17 -19.347 5.265 -10.672 1.00 0.00 N ATOM 263 CA SER A 17 -18.906 6.186 -11.757 1.00 0.00 C ATOM 264 C SER A 17 -19.941 6.128 -12.883 1.00 0.00 C ATOM 265 O SER A 17 -20.078 5.123 -13.550 1.00 0.00 O ATOM 266 CB SER A 17 -17.526 5.725 -12.245 1.00 0.00 C ATOM 267 OG SER A 17 -16.752 6.861 -12.591 1.00 0.00 O ATOM 0 H SER A 17 -19.660 4.349 -10.994 1.00 0.00 H new ATOM 0 HA SER A 17 -18.827 7.215 -11.407 1.00 0.00 H new ATOM 0 HB2 SER A 17 -17.024 5.151 -11.466 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.633 5.066 -13.107 1.00 0.00 H new ATOM 0 HG SER A 17 -15.824 6.589 -12.748 1.00 0.00 H new ATOM 273 N VAL A 18 -20.667 7.198 -13.098 1.00 0.00 N ATOM 274 CA VAL A 18 -21.695 7.208 -14.168 1.00 0.00 C ATOM 275 C VAL A 18 -21.513 8.450 -15.026 1.00 0.00 C ATOM 276 O VAL A 18 -22.035 9.516 -14.763 1.00 0.00 O ATOM 277 CB VAL A 18 -23.089 7.222 -13.525 1.00 0.00 C ATOM 278 CG1 VAL A 18 -23.297 5.941 -12.710 1.00 0.00 C ATOM 279 CG2 VAL A 18 -23.213 8.435 -12.597 1.00 0.00 C ATOM 0 H VAL A 18 -20.586 8.067 -12.571 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.591 6.320 -14.792 1.00 0.00 H new ATOM 0 HB VAL A 18 -23.844 7.280 -14.309 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -24.288 5.956 -12.256 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -23.211 5.075 -13.366 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -22.540 5.880 -11.928 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -24.203 8.444 -12.141 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -22.454 8.375 -11.817 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -23.070 9.350 -13.173 1.00 0.00 H new ATOM 289 N THR A 19 -20.794 8.270 -16.072 1.00 38.32 N ATOM 290 CA THR A 19 -20.540 9.360 -17.058 1.00 37.06 C ATOM 291 C THR A 19 -20.493 8.729 -18.440 1.00 36.60 C ATOM 292 O THR A 19 -21.077 7.694 -18.690 1.00 36.42 O ATOM 293 CB THR A 19 -19.193 10.064 -16.770 1.00 37.05 C ATOM 294 OG1 THR A 19 -18.939 10.039 -15.374 1.00 37.96 O ATOM 295 CG2 THR A 19 -19.247 11.522 -17.244 1.00 37.86 C ATOM 0 H THR A 19 -20.348 7.383 -16.306 1.00 38.32 H new ATOM 0 HA THR A 19 -21.331 10.107 -16.991 1.00 37.06 H new ATOM 0 HB THR A 19 -18.399 9.542 -17.304 1.00 37.05 H new ATOM 0 HG1 THR A 19 -18.412 10.826 -15.123 1.00 37.96 H new ATOM 0 HG21 THR A 19 -18.294 12.008 -17.036 1.00 37.86 H new ATOM 0 HG22 THR A 19 -19.442 11.549 -18.316 1.00 37.86 H new ATOM 0 HG23 THR A 19 -20.044 12.047 -16.717 1.00 37.86 H new ATOM 303 N GLU A 20 -19.770 9.330 -19.320 1.00 36.33 N ATOM 304 CA GLU A 20 -19.622 8.801 -20.653 1.00 36.39 C ATOM 305 C GLU A 20 -18.528 7.723 -20.585 1.00 30.94 C ATOM 306 O GLU A 20 -18.719 6.603 -21.016 1.00 31.73 O ATOM 307 CB GLU A 20 -19.266 10.005 -21.531 1.00 41.00 C ATOM 308 CG GLU A 20 -19.157 9.556 -22.944 1.00 49.07 C ATOM 309 CD GLU A 20 -18.842 10.740 -23.856 1.00 52.00 C ATOM 310 OE1 GLU A 20 -18.499 11.789 -23.336 1.00 55.13 O ATOM 311 OE2 GLU A 20 -18.949 10.579 -25.061 1.00 54.38 O ATOM 0 H GLU A 20 -19.263 10.198 -19.149 1.00 36.33 H new ATOM 0 HA GLU A 20 -20.509 8.325 -21.070 1.00 36.39 H new ATOM 0 HB2 GLU A 20 -20.030 10.777 -21.439 1.00 41.00 H new ATOM 0 HB3 GLU A 20 -18.325 10.446 -21.202 1.00 41.00 H new ATOM 0 HG2 GLU A 20 -18.375 8.802 -23.033 1.00 49.07 H new ATOM 0 HG3 GLU A 20 -20.090 9.086 -23.256 1.00 49.07 H new ATOM 318 N GLU A 21 -17.371 8.071 -20.081 1.00 0.00 N ATOM 319 CA GLU A 21 -16.243 7.130 -20.008 1.00 0.00 C ATOM 320 C GLU A 21 -15.969 6.717 -18.544 1.00 0.00 C ATOM 321 O GLU A 21 -14.849 6.419 -18.184 1.00 0.00 O ATOM 322 CB GLU A 21 -15.052 7.898 -20.588 1.00 0.00 C ATOM 323 CG GLU A 21 -15.289 8.142 -22.067 1.00 0.00 C ATOM 324 CD GLU A 21 -14.150 8.983 -22.651 1.00 0.00 C ATOM 325 OE1 GLU A 21 -13.240 9.313 -21.907 1.00 0.00 O ATOM 326 OE2 GLU A 21 -14.202 9.277 -23.833 1.00 0.00 O ATOM 0 H GLU A 21 -17.169 8.999 -19.709 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.441 6.208 -20.555 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.927 8.847 -20.066 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.133 7.331 -20.443 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.356 7.190 -22.594 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.240 8.654 -22.211 1.00 0.00 H new ATOM 333 N GLU A 22 -16.973 6.704 -17.703 1.00 0.00 N ATOM 334 CA GLU A 22 -16.757 6.322 -16.263 1.00 0.00 C ATOM 335 C GLU A 22 -17.193 4.859 -16.040 1.00 0.00 C ATOM 336 O GLU A 22 -18.049 4.346 -16.732 1.00 0.00 O ATOM 337 CB GLU A 22 -17.578 7.289 -15.381 1.00 0.00 C ATOM 338 CG GLU A 22 -16.682 8.417 -14.828 1.00 0.00 C ATOM 339 CD GLU A 22 -16.216 9.313 -15.977 1.00 0.00 C ATOM 340 OE1 GLU A 22 -16.235 8.851 -17.106 1.00 0.00 O ATOM 341 OE2 GLU A 22 -15.850 10.446 -15.709 1.00 0.00 O ATOM 0 H GLU A 22 -17.935 6.941 -17.946 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.703 6.398 -15.997 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.393 7.718 -15.964 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -18.031 6.740 -14.556 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.233 9.006 -14.095 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.821 7.991 -14.313 1.00 0.00 H new ATOM 348 N LEU A 23 -16.575 4.177 -15.090 1.00 11.68 N ATOM 349 CA LEU A 23 -16.911 2.728 -14.823 1.00 7.71 C ATOM 350 C LEU A 23 -17.613 2.572 -13.465 1.00 8.71 C ATOM 351 O LEU A 23 -16.998 2.721 -12.428 1.00 10.83 O ATOM 352 CB LEU A 23 -15.591 1.918 -14.784 1.00 7.16 C ATOM 353 CG LEU A 23 -15.807 0.395 -15.005 1.00 8.46 C ATOM 354 CD1 LEU A 23 -17.069 -0.120 -14.308 1.00 6.77 C ATOM 355 CD2 LEU A 23 -15.903 0.082 -16.494 1.00 2.00 C ATOM 0 H LEU A 23 -15.850 4.564 -14.486 1.00 11.68 H new ATOM 0 HA LEU A 23 -17.574 2.369 -15.610 1.00 7.71 H new ATOM 0 HB2 LEU A 23 -14.915 2.298 -15.550 1.00 7.16 H new ATOM 0 HB3 LEU A 23 -15.103 2.074 -13.822 1.00 7.16 H new ATOM 0 HG LEU A 23 -14.945 -0.110 -14.568 1.00 8.46 H new ATOM 0 HD11 LEU A 23 -17.176 -1.189 -14.492 1.00 6.77 H new ATOM 0 HD12 LEU A 23 -16.990 0.057 -13.235 1.00 6.77 H new ATOM 0 HD13 LEU A 23 -17.941 0.405 -14.699 1.00 6.77 H new ATOM 0 HD21 LEU A 23 -16.054 -0.989 -16.632 1.00 2.00 H new ATOM 0 HD22 LEU A 23 -16.743 0.626 -16.927 1.00 2.00 H new ATOM 0 HD23 LEU A 23 -14.981 0.385 -16.990 1.00 2.00 H new ATOM 367 N ASN A 24 -18.873 2.228 -13.455 1.00 0.00 N ATOM 368 CA ASN A 24 -19.581 2.005 -12.154 1.00 0.00 C ATOM 369 C ASN A 24 -19.517 0.504 -11.879 1.00 0.00 C ATOM 370 O ASN A 24 -19.856 -0.289 -12.734 1.00 0.00 O ATOM 371 CB ASN A 24 -21.049 2.445 -12.267 1.00 0.00 C ATOM 372 CG ASN A 24 -21.859 1.887 -11.093 1.00 0.00 C ATOM 373 OD1 ASN A 24 -22.999 1.504 -11.255 1.00 0.00 O ATOM 374 ND2 ASN A 24 -21.313 1.825 -9.910 1.00 0.00 N ATOM 0 H ASN A 24 -19.445 2.091 -14.289 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.118 2.581 -11.353 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -21.111 3.533 -12.276 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -21.470 2.094 -13.209 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -21.844 1.455 -9.122 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.355 2.147 -9.773 1.00 0.00 H new ATOM 381 N PHE A 25 -19.063 0.081 -10.726 1.00 6.72 N ATOM 382 CA PHE A 25 -18.978 -1.385 -10.496 1.00 6.82 C ATOM 383 C PHE A 25 -19.089 -1.707 -9.016 1.00 7.56 C ATOM 384 O PHE A 25 -18.579 -1.007 -8.166 1.00 6.07 O ATOM 385 CB PHE A 25 -17.658 -1.927 -11.069 1.00 9.59 C ATOM 386 CG PHE A 25 -16.431 -1.215 -10.489 1.00 9.18 C ATOM 387 CD1 PHE A 25 -16.243 0.174 -10.640 1.00 5.54 C ATOM 388 CD2 PHE A 25 -15.447 -1.966 -9.834 1.00 11.29 C ATOM 389 CE1 PHE A 25 -15.092 0.786 -10.133 1.00 5.32 C ATOM 390 CE2 PHE A 25 -14.299 -1.349 -9.335 1.00 11.14 C ATOM 391 CZ PHE A 25 -14.121 0.027 -9.482 1.00 12.44 C ATOM 0 H PHE A 25 -18.756 0.673 -9.954 1.00 6.72 H new ATOM 0 HA PHE A 25 -19.811 -1.867 -11.007 1.00 6.82 H new ATOM 0 HB2 PHE A 25 -17.587 -2.995 -10.861 1.00 9.59 H new ATOM 0 HB3 PHE A 25 -17.662 -1.813 -12.153 1.00 9.59 H new ATOM 0 HD1 PHE A 25 -16.989 0.767 -11.148 1.00 5.54 H new ATOM 0 HD2 PHE A 25 -15.578 -3.031 -9.714 1.00 11.29 H new ATOM 0 HE1 PHE A 25 -14.955 1.851 -10.246 1.00 5.32 H new ATOM 0 HE2 PHE A 25 -13.546 -1.939 -8.833 1.00 11.14 H new ATOM 0 HZ PHE A 25 -13.233 0.503 -9.092 1.00 12.44 H new ATOM 401 N GLU A 26 -19.762 -2.784 -8.713 1.00 0.00 N ATOM 402 CA GLU A 26 -19.926 -3.190 -7.296 1.00 0.00 C ATOM 403 C GLU A 26 -18.693 -3.981 -6.881 1.00 0.00 C ATOM 404 O GLU A 26 -18.004 -4.549 -7.706 1.00 0.00 O ATOM 405 CB GLU A 26 -21.195 -4.046 -7.141 1.00 0.00 C ATOM 406 CG GLU A 26 -20.978 -5.454 -7.716 1.00 0.00 C ATOM 407 CD GLU A 26 -20.387 -5.354 -9.123 1.00 0.00 C ATOM 408 OE1 GLU A 26 -20.899 -4.570 -9.904 1.00 0.00 O ATOM 409 OE2 GLU A 26 -19.431 -6.061 -9.394 1.00 0.00 O ATOM 0 H GLU A 26 -20.206 -3.401 -9.393 1.00 0.00 H new ATOM 0 HA GLU A 26 -20.031 -2.312 -6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -21.465 -4.116 -6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -22.029 -3.564 -7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.308 -6.021 -7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -21.924 -5.994 -7.747 1.00 0.00 H new ATOM 416 N LYS A 27 -18.401 -4.019 -5.624 1.00 8.66 N ATOM 417 CA LYS A 27 -17.209 -4.761 -5.178 1.00 8.68 C ATOM 418 C LYS A 27 -17.292 -6.205 -5.672 1.00 6.65 C ATOM 419 O LYS A 27 -18.362 -6.769 -5.798 1.00 10.38 O ATOM 420 CB LYS A 27 -17.147 -4.697 -3.653 1.00 12.96 C ATOM 421 CG LYS A 27 -18.220 -5.607 -3.017 1.00 12.48 C ATOM 422 CD LYS A 27 -17.606 -6.959 -2.605 1.00 20.52 C ATOM 423 CE LYS A 27 -16.941 -6.834 -1.230 1.00 28.24 C ATOM 424 NZ LYS A 27 -17.989 -6.820 -0.172 1.00 29.03 N ATOM 0 H LYS A 27 -18.938 -3.567 -4.884 1.00 8.66 H new ATOM 0 HA LYS A 27 -16.301 -4.320 -5.589 1.00 8.68 H new ATOM 0 HB2 LYS A 27 -16.158 -5.003 -3.313 1.00 12.96 H new ATOM 0 HB3 LYS A 27 -17.294 -3.669 -3.322 1.00 12.96 H new ATOM 0 HG2 LYS A 27 -18.651 -5.116 -2.145 1.00 12.48 H new ATOM 0 HG3 LYS A 27 -19.033 -5.771 -3.725 1.00 12.48 H new ATOM 0 HD2 LYS A 27 -18.380 -7.726 -2.576 1.00 20.52 H new ATOM 0 HD3 LYS A 27 -16.872 -7.276 -3.346 1.00 20.52 H new ATOM 0 HE2 LYS A 27 -16.257 -7.667 -1.068 1.00 28.24 H new ATOM 0 HE3 LYS A 27 -16.348 -5.920 -1.182 1.00 28.24 H new ATOM 0 HZ1 LYS A 27 -17.557 -7.041 0.748 1.00 29.03 H new ATOM 0 HZ2 LYS A 27 -18.428 -5.878 -0.131 1.00 29.03 H new ATOM 0 HZ3 LYS A 27 -18.715 -7.531 -0.393 1.00 29.03 H new ATOM 438 N GLY A 28 -16.170 -6.802 -5.974 1.00 5.06 N ATOM 439 CA GLY A 28 -16.181 -8.202 -6.483 1.00 4.39 C ATOM 440 C GLY A 28 -16.421 -8.189 -7.995 1.00 6.18 C ATOM 441 O GLY A 28 -17.203 -8.963 -8.511 1.00 5.61 O ATOM 0 H GLY A 28 -15.246 -6.379 -5.890 1.00 5.06 H new ATOM 0 HA2 GLY A 28 -15.233 -8.690 -6.258 1.00 4.39 H new ATOM 0 HA3 GLY A 28 -16.962 -8.776 -5.984 1.00 4.39 H new ATOM 445 N GLU A 29 -15.756 -7.309 -8.708 1.00 7.06 N ATOM 446 CA GLU A 29 -15.939 -7.224 -10.196 1.00 6.19 C ATOM 447 C GLU A 29 -14.602 -7.500 -10.889 1.00 6.67 C ATOM 448 O GLU A 29 -13.668 -6.731 -10.783 1.00 8.12 O ATOM 449 CB GLU A 29 -16.401 -5.801 -10.562 1.00 6.64 C ATOM 450 CG GLU A 29 -17.009 -5.702 -11.996 1.00 9.52 C ATOM 451 CD GLU A 29 -16.694 -6.939 -12.851 1.00 8.21 C ATOM 452 OE1 GLU A 29 -17.421 -7.913 -12.741 1.00 6.83 O ATOM 453 OE2 GLU A 29 -15.738 -6.885 -13.602 1.00 8.99 O ATOM 0 H GLU A 29 -15.089 -6.641 -8.321 1.00 7.06 H new ATOM 0 HA GLU A 29 -16.680 -7.956 -10.516 1.00 6.19 H new ATOM 0 HB2 GLU A 29 -17.143 -5.469 -9.836 1.00 6.64 H new ATOM 0 HB3 GLU A 29 -15.553 -5.120 -10.486 1.00 6.64 H new ATOM 0 HG2 GLU A 29 -18.090 -5.580 -11.922 1.00 9.52 H new ATOM 0 HG3 GLU A 29 -16.621 -4.812 -12.492 1.00 9.52 H new ATOM 460 N THR A 30 -14.511 -8.570 -11.621 1.00 0.00 N ATOM 461 CA THR A 30 -13.246 -8.868 -12.348 1.00 0.00 C ATOM 462 C THR A 30 -13.149 -7.895 -13.508 1.00 0.00 C ATOM 463 O THR A 30 -13.887 -8.015 -14.463 1.00 0.00 O ATOM 464 CB THR A 30 -13.334 -10.280 -12.932 1.00 0.00 C ATOM 465 OG1 THR A 30 -13.889 -11.159 -11.966 1.00 0.00 O ATOM 466 CG2 THR A 30 -11.940 -10.756 -13.327 1.00 0.00 C ATOM 0 H THR A 30 -15.257 -9.253 -11.749 1.00 0.00 H new ATOM 0 HA THR A 30 -12.389 -8.786 -11.679 1.00 0.00 H new ATOM 0 HB THR A 30 -13.972 -10.270 -13.815 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.947 -12.063 -12.341 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.003 -11.762 -13.743 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.523 -10.080 -14.073 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.296 -10.767 -12.447 1.00 0.00 H new ATOM 474 N MET A 31 -12.261 -6.938 -13.459 1.00 0.00 N ATOM 475 CA MET A 31 -12.169 -5.984 -14.599 1.00 0.00 C ATOM 476 C MET A 31 -10.943 -6.276 -15.437 1.00 0.00 C ATOM 477 O MET A 31 -9.851 -6.502 -14.959 1.00 0.00 O ATOM 478 CB MET A 31 -12.195 -4.538 -14.089 1.00 0.00 C ATOM 479 CG MET A 31 -13.632 -4.190 -13.602 1.00 0.00 C ATOM 480 SD MET A 31 -13.583 -3.624 -11.881 1.00 0.00 S ATOM 481 CE MET A 31 -13.011 -1.942 -12.223 1.00 0.00 C ATOM 0 H MET A 31 -11.607 -6.778 -12.693 1.00 0.00 H new ATOM 0 HA MET A 31 -13.037 -6.114 -15.245 1.00 0.00 H new ATOM 0 HB2 MET A 31 -11.482 -4.415 -13.273 1.00 0.00 H new ATOM 0 HB3 MET A 31 -11.892 -3.855 -14.883 1.00 0.00 H new ATOM 0 HG2 MET A 31 -14.062 -3.415 -14.236 1.00 0.00 H new ATOM 0 HG3 MET A 31 -14.276 -5.065 -13.687 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.494 -1.549 -11.348 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.328 -1.956 -13.072 1.00 0.00 H new ATOM 0 HE3 MET A 31 -13.866 -1.307 -12.455 1.00 0.00 H new ATOM 491 N GLU A 32 -11.173 -6.294 -16.708 1.00 0.00 N ATOM 492 CA GLU A 32 -10.126 -6.587 -17.703 1.00 0.00 C ATOM 493 C GLU A 32 -9.491 -5.254 -18.104 1.00 0.00 C ATOM 494 O GLU A 32 -10.069 -4.469 -18.828 1.00 0.00 O ATOM 495 CB GLU A 32 -10.810 -7.291 -18.905 1.00 0.00 C ATOM 496 CG GLU A 32 -12.352 -7.202 -18.769 1.00 0.00 C ATOM 497 CD GLU A 32 -13.002 -7.656 -20.077 1.00 0.00 C ATOM 498 OE1 GLU A 32 -12.300 -7.708 -21.073 1.00 0.00 O ATOM 499 OE2 GLU A 32 -14.185 -7.947 -20.061 1.00 0.00 O ATOM 0 H GLU A 32 -12.090 -6.108 -17.115 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.344 -7.242 -17.319 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.492 -6.825 -19.838 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.501 -8.335 -18.949 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.693 -7.828 -17.944 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.650 -6.179 -18.537 1.00 0.00 H new ATOM 506 N VAL A 33 -8.327 -4.980 -17.592 1.00 0.00 N ATOM 507 CA VAL A 33 -7.673 -3.678 -17.890 1.00 0.00 C ATOM 508 C VAL A 33 -7.360 -3.534 -19.386 1.00 0.00 C ATOM 509 O VAL A 33 -6.307 -3.930 -19.845 1.00 0.00 O ATOM 510 CB VAL A 33 -6.372 -3.570 -17.086 1.00 0.00 C ATOM 511 CG1 VAL A 33 -5.961 -2.097 -16.967 1.00 0.00 C ATOM 512 CG2 VAL A 33 -6.591 -4.146 -15.685 1.00 0.00 C ATOM 0 H VAL A 33 -7.799 -5.602 -16.979 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.360 -2.880 -17.610 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.586 -4.128 -17.595 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.036 -2.022 -16.395 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.807 -1.681 -17.963 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.748 -1.540 -16.459 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.667 -4.070 -15.112 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.378 -3.586 -15.180 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.884 -5.193 -15.764 1.00 0.00 H new ATOM 522 N ILE A 34 -8.252 -2.952 -20.152 1.00 0.00 N ATOM 523 CA ILE A 34 -7.964 -2.775 -21.613 1.00 0.00 C ATOM 524 C ILE A 34 -6.695 -1.926 -21.807 1.00 0.00 C ATOM 525 O ILE A 34 -5.816 -2.280 -22.568 1.00 0.00 O ATOM 526 CB ILE A 34 -9.125 -2.051 -22.324 1.00 0.00 C ATOM 527 CG1 ILE A 34 -10.368 -2.954 -22.358 1.00 0.00 C ATOM 528 CG2 ILE A 34 -8.696 -1.707 -23.766 1.00 0.00 C ATOM 529 CD1 ILE A 34 -11.569 -2.187 -22.944 1.00 0.00 C ATOM 0 H ILE A 34 -9.154 -2.596 -19.836 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.831 -3.769 -22.039 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.368 -1.137 -21.781 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.166 -3.841 -22.959 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.604 -3.298 -21.351 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.512 -1.195 -24.276 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.820 -1.059 -23.740 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.453 -2.624 -24.302 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.443 -2.838 -22.962 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.780 -1.314 -22.326 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.335 -1.865 -23.959 1.00 0.00 H new ATOM 541 N GLU A 35 -6.610 -0.788 -21.160 1.00 0.00 N ATOM 542 CA GLU A 35 -5.419 0.099 -21.354 1.00 0.00 C ATOM 543 C GLU A 35 -5.094 0.847 -20.078 1.00 0.00 C ATOM 544 O GLU A 35 -5.919 1.007 -19.200 1.00 0.00 O ATOM 545 CB GLU A 35 -5.716 1.109 -22.475 1.00 0.00 C ATOM 546 CG GLU A 35 -4.406 1.625 -23.080 1.00 0.00 C ATOM 547 CD GLU A 35 -3.808 0.557 -24.000 1.00 0.00 C ATOM 548 OE1 GLU A 35 -4.532 0.064 -24.849 1.00 0.00 O ATOM 549 OE2 GLU A 35 -2.638 0.252 -23.838 1.00 0.00 O ATOM 0 H GLU A 35 -7.311 -0.436 -20.508 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.563 -0.519 -21.623 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.322 0.638 -23.249 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.296 1.943 -22.080 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.589 2.541 -23.641 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.700 1.873 -22.287 1.00 0.00 H new ATOM 556 N LYS A 36 -3.864 1.282 -19.963 1.00 0.00 N ATOM 557 CA LYS A 36 -3.420 1.999 -18.738 1.00 0.00 C ATOM 558 C LYS A 36 -2.597 3.250 -19.104 1.00 0.00 C ATOM 559 O LYS A 36 -1.431 3.326 -18.777 1.00 0.00 O ATOM 560 CB LYS A 36 -2.539 1.026 -17.926 1.00 0.00 C ATOM 561 CG LYS A 36 -3.103 -0.413 -18.004 1.00 0.00 C ATOM 562 CD LYS A 36 -2.465 -1.194 -19.166 1.00 0.00 C ATOM 563 CE LYS A 36 -3.302 -2.448 -19.478 1.00 0.00 C ATOM 564 NZ LYS A 36 -4.710 -2.071 -19.784 1.00 0.00 N ATOM 0 H LYS A 36 -3.144 1.167 -20.676 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.287 2.323 -18.162 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.519 1.044 -18.310 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.494 1.349 -16.886 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.914 -0.933 -17.065 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.184 -0.377 -18.136 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.401 -0.560 -20.050 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.446 -1.482 -18.906 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.869 -2.980 -20.325 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.278 -3.130 -18.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.349 -2.829 -19.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.948 -1.188 -19.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.817 -1.933 -20.809 1.00 0.00 H new ATOM 578 N PRO A 37 -3.228 4.220 -19.736 1.00 0.00 N ATOM 579 CA PRO A 37 -2.553 5.474 -20.091 1.00 0.00 C ATOM 580 C PRO A 37 -2.384 6.318 -18.835 1.00 0.00 C ATOM 581 O PRO A 37 -3.005 6.082 -17.817 1.00 0.00 O ATOM 582 CB PRO A 37 -3.497 6.178 -21.077 1.00 0.00 C ATOM 583 CG PRO A 37 -4.859 5.455 -20.975 1.00 0.00 C ATOM 584 CD PRO A 37 -4.639 4.151 -20.168 1.00 0.00 C ATOM 0 HA PRO A 37 -1.567 5.312 -20.526 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.599 7.234 -20.829 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.106 6.126 -22.093 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.594 6.091 -20.482 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.248 5.230 -21.968 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.314 4.094 -19.314 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.824 3.269 -20.780 1.00 0.00 H new ATOM 592 N GLU A 38 -1.560 7.311 -18.912 1.00 0.00 N ATOM 593 CA GLU A 38 -1.351 8.202 -17.733 1.00 0.00 C ATOM 594 C GLU A 38 -2.328 9.374 -17.840 1.00 0.00 C ATOM 595 O GLU A 38 -3.000 9.712 -16.891 1.00 0.00 O ATOM 596 CB GLU A 38 0.091 8.725 -17.738 1.00 0.00 C ATOM 597 CG GLU A 38 0.408 9.426 -16.409 1.00 0.00 C ATOM 598 CD GLU A 38 -0.180 10.841 -16.399 1.00 0.00 C ATOM 599 OE1 GLU A 38 -0.600 11.301 -17.448 1.00 0.00 O ATOM 600 OE2 GLU A 38 -0.196 11.441 -15.338 1.00 0.00 O ATOM 0 H GLU A 38 -1.016 7.552 -19.740 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.524 7.654 -16.807 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.784 7.899 -17.896 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.230 9.420 -18.566 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.001 8.849 -15.579 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.487 9.473 -16.263 1.00 0.00 H new ATOM 607 N ASN A 39 -2.409 9.962 -19.013 1.00 0.00 N ATOM 608 CA ASN A 39 -3.337 11.109 -19.265 1.00 0.00 C ATOM 609 C ASN A 39 -3.032 12.252 -18.297 1.00 0.00 C ATOM 610 O ASN A 39 -2.678 13.342 -18.699 1.00 0.00 O ATOM 611 CB ASN A 39 -4.794 10.646 -19.095 1.00 0.00 C ATOM 612 CG ASN A 39 -5.252 9.903 -20.353 1.00 0.00 C ATOM 613 OD1 ASN A 39 -4.504 9.769 -21.300 1.00 0.00 O ATOM 614 ND2 ASN A 39 -6.460 9.412 -20.400 1.00 0.00 N ATOM 0 H ASN A 39 -1.856 9.686 -19.824 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.194 11.466 -20.285 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.879 9.994 -18.225 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.440 11.505 -18.914 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.777 8.915 -21.233 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.088 9.525 -19.604 1.00 0.00 H new ATOM 621 N ASP A 40 -3.136 11.982 -17.032 1.00 0.00 N ATOM 622 CA ASP A 40 -2.839 13.008 -15.987 1.00 0.00 C ATOM 623 C ASP A 40 -3.357 12.598 -14.583 1.00 0.00 C ATOM 624 O ASP A 40 -2.633 12.707 -13.614 1.00 0.00 O ATOM 625 CB ASP A 40 -3.358 14.428 -16.387 1.00 0.00 C ATOM 626 CG ASP A 40 -2.186 15.325 -16.816 1.00 0.00 C ATOM 627 OD1 ASP A 40 -1.252 14.804 -17.404 1.00 0.00 O ATOM 628 OD2 ASP A 40 -2.247 16.515 -16.552 1.00 0.00 O ATOM 0 H ASP A 40 -3.420 11.074 -16.664 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.752 13.062 -15.924 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.077 14.343 -17.202 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.882 14.881 -15.546 1.00 0.00 H new ATOM 633 N PRO A 41 -4.575 12.153 -14.510 1.00 0.00 N ATOM 634 CA PRO A 41 -5.195 11.741 -13.239 1.00 0.00 C ATOM 635 C PRO A 41 -4.527 10.459 -12.723 1.00 0.00 C ATOM 636 O PRO A 41 -3.979 10.453 -11.641 1.00 0.00 O ATOM 637 CB PRO A 41 -6.680 11.492 -13.596 1.00 0.00 C ATOM 638 CG PRO A 41 -6.820 11.675 -15.135 1.00 0.00 C ATOM 639 CD PRO A 41 -5.421 12.031 -15.678 1.00 0.00 C ATOM 0 HA PRO A 41 -5.087 12.486 -12.451 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.984 10.488 -13.299 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.326 12.191 -13.065 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.193 10.762 -15.599 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.535 12.465 -15.366 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.052 11.257 -16.351 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.445 12.962 -16.245 1.00 0.00 H new ATOM 647 N GLU A 42 -4.592 9.401 -13.516 1.00 0.00 N ATOM 648 CA GLU A 42 -3.994 8.050 -13.173 1.00 0.00 C ATOM 649 C GLU A 42 -5.050 6.958 -13.439 1.00 0.00 C ATOM 650 O GLU A 42 -4.874 5.808 -13.093 1.00 0.00 O ATOM 651 CB GLU A 42 -3.529 7.971 -11.700 1.00 0.00 C ATOM 652 CG GLU A 42 -2.140 8.621 -11.535 1.00 0.00 C ATOM 653 CD GLU A 42 -1.852 8.871 -10.049 1.00 0.00 C ATOM 654 OE1 GLU A 42 -2.646 8.437 -9.232 1.00 0.00 O ATOM 655 OE2 GLU A 42 -0.843 9.491 -9.757 1.00 0.00 O ATOM 0 H GLU A 42 -5.054 9.419 -14.425 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.114 7.901 -13.799 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.251 8.475 -11.057 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.490 6.930 -11.380 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.373 7.973 -11.959 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.102 9.561 -12.085 1.00 0.00 H new ATOM 662 N TRP A 43 -6.149 7.306 -14.060 1.00 14.29 N ATOM 663 CA TRP A 43 -7.211 6.293 -14.344 1.00 10.30 C ATOM 664 C TRP A 43 -6.754 5.333 -15.449 1.00 6.82 C ATOM 665 O TRP A 43 -5.788 5.580 -16.138 1.00 6.91 O ATOM 666 CB TRP A 43 -8.488 7.006 -14.780 1.00 13.39 C ATOM 667 CG TRP A 43 -8.776 8.159 -13.874 1.00 11.71 C ATOM 668 CD1 TRP A 43 -8.229 8.350 -12.651 1.00 13.93 C ATOM 669 CD2 TRP A 43 -9.681 9.277 -14.093 1.00 7.44 C ATOM 670 NE1 TRP A 43 -8.739 9.511 -12.113 1.00 6.63 N ATOM 671 CE2 TRP A 43 -9.636 10.119 -12.960 1.00 8.43 C ATOM 672 CE3 TRP A 43 -10.528 9.640 -15.156 1.00 6.37 C ATOM 673 CZ2 TRP A 43 -10.399 11.276 -12.879 1.00 11.15 C ATOM 674 CZ3 TRP A 43 -11.303 10.811 -15.077 1.00 2.36 C ATOM 675 CH2 TRP A 43 -11.237 11.629 -13.939 1.00 8.17 C ATOM 0 H TRP A 43 -6.357 8.251 -14.383 1.00 14.29 H new ATOM 0 HA TRP A 43 -7.402 5.717 -13.438 1.00 10.30 H new ATOM 0 HB2 TRP A 43 -8.383 7.359 -15.806 1.00 13.39 H new ATOM 0 HB3 TRP A 43 -9.325 6.307 -14.767 1.00 13.39 H new ATOM 0 HD1 TRP A 43 -7.511 7.699 -12.175 1.00 13.93 H new ATOM 0 HE1 TRP A 43 -8.482 9.876 -11.196 1.00 6.63 H new ATOM 0 HE3 TRP A 43 -10.583 9.017 -16.036 1.00 6.37 H new ATOM 0 HZ2 TRP A 43 -10.345 11.901 -12.000 1.00 11.15 H new ATOM 0 HZ3 TRP A 43 -11.952 11.082 -15.896 1.00 2.36 H new ATOM 0 HH2 TRP A 43 -11.832 12.528 -13.883 1.00 8.17 H new ATOM 686 N TRP A 44 -7.452 4.229 -15.607 1.00 6.17 N ATOM 687 CA TRP A 44 -7.083 3.207 -16.646 1.00 5.58 C ATOM 688 C TRP A 44 -8.325 2.859 -17.476 1.00 6.91 C ATOM 689 O TRP A 44 -9.415 2.754 -16.949 1.00 8.86 O ATOM 690 CB TRP A 44 -6.649 1.900 -15.938 1.00 2.99 C ATOM 691 CG TRP A 44 -5.234 1.916 -15.415 1.00 7.04 C ATOM 692 CD1 TRP A 44 -4.289 2.874 -15.609 1.00 5.83 C ATOM 693 CD2 TRP A 44 -4.595 0.883 -14.603 1.00 5.23 C ATOM 694 NE1 TRP A 44 -3.127 2.487 -14.963 1.00 4.61 N ATOM 695 CE2 TRP A 44 -3.265 1.272 -14.334 1.00 9.27 C ATOM 696 CE3 TRP A 44 -5.044 -0.343 -14.079 1.00 6.86 C ATOM 697 CZ2 TRP A 44 -2.407 0.476 -13.575 1.00 11.14 C ATOM 698 CZ3 TRP A 44 -4.186 -1.148 -13.314 1.00 11.80 C ATOM 699 CH2 TRP A 44 -2.870 -0.740 -13.063 1.00 11.72 C ATOM 0 H TRP A 44 -8.274 3.989 -15.052 1.00 6.17 H new ATOM 0 HA TRP A 44 -6.286 3.609 -17.271 1.00 5.58 H new ATOM 0 HB2 TRP A 44 -7.328 1.708 -15.108 1.00 2.99 H new ATOM 0 HB3 TRP A 44 -6.756 1.070 -16.636 1.00 2.99 H new ATOM 0 HD1 TRP A 44 -4.422 3.785 -16.173 1.00 5.83 H new ATOM 0 HE1 TRP A 44 -2.269 3.039 -14.955 1.00 4.61 H new ATOM 0 HE3 TRP A 44 -6.057 -0.667 -14.267 1.00 6.86 H new ATOM 0 HZ2 TRP A 44 -1.393 0.796 -13.384 1.00 11.14 H new ATOM 0 HZ3 TRP A 44 -4.542 -2.087 -12.917 1.00 11.80 H new ATOM 0 HH2 TRP A 44 -2.213 -1.364 -12.475 1.00 11.72 H new ATOM 710 N LYS A 45 -8.170 2.597 -18.749 1.00 0.00 N ATOM 711 CA LYS A 45 -9.355 2.167 -19.536 1.00 0.00 C ATOM 712 C LYS A 45 -9.547 0.704 -19.204 1.00 0.00 C ATOM 713 O LYS A 45 -8.882 -0.146 -19.760 1.00 0.00 O ATOM 714 CB LYS A 45 -9.124 2.289 -21.048 1.00 0.00 C ATOM 715 CG LYS A 45 -8.879 3.783 -21.410 1.00 0.00 C ATOM 716 CD LYS A 45 -8.637 3.931 -22.931 1.00 0.00 C ATOM 717 CE LYS A 45 -8.406 5.405 -23.289 1.00 0.00 C ATOM 718 NZ LYS A 45 -8.164 5.526 -24.753 1.00 0.00 N ATOM 0 H LYS A 45 -7.292 2.661 -19.265 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.213 2.792 -19.289 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.267 1.685 -21.347 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.988 1.908 -21.592 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.739 4.383 -21.111 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.018 4.162 -20.859 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.773 3.337 -23.229 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.494 3.545 -23.482 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.273 6.001 -23.002 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.553 5.796 -22.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.007 6.525 -24.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.325 4.970 -25.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.991 5.168 -25.272 1.00 0.00 H new ATOM 732 N CYS A 46 -10.409 0.394 -18.283 1.00 0.00 N ATOM 733 CA CYS A 46 -10.601 -1.032 -17.896 1.00 0.00 C ATOM 734 C CYS A 46 -12.001 -1.483 -18.234 1.00 0.00 C ATOM 735 O CYS A 46 -12.983 -0.873 -17.854 1.00 0.00 O ATOM 736 CB CYS A 46 -10.364 -1.186 -16.393 1.00 0.00 C ATOM 737 SG CYS A 46 -11.765 -0.490 -15.480 1.00 0.00 S ATOM 0 H CYS A 46 -10.991 1.064 -17.779 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.890 -1.648 -18.447 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.240 -2.239 -16.141 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.443 -0.679 -16.106 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.750 -0.269 -16.299 1.00 0.00 H new ATOM 743 N LYS A 47 -12.101 -2.578 -18.920 1.00 0.00 N ATOM 744 CA LYS A 47 -13.430 -3.108 -19.255 1.00 0.00 C ATOM 745 C LYS A 47 -13.903 -3.887 -18.044 1.00 0.00 C ATOM 746 O LYS A 47 -13.084 -4.428 -17.331 1.00 0.00 O ATOM 747 CB LYS A 47 -13.319 -4.052 -20.454 1.00 0.00 C ATOM 748 CG LYS A 47 -14.604 -4.877 -20.607 1.00 0.00 C ATOM 749 CD LYS A 47 -14.637 -5.524 -21.994 1.00 0.00 C ATOM 750 CE LYS A 47 -15.955 -6.278 -22.172 1.00 0.00 C ATOM 751 NZ LYS A 47 -16.112 -6.681 -23.597 1.00 0.00 N ATOM 0 H LYS A 47 -11.313 -3.127 -19.262 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.123 -2.305 -19.509 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.138 -3.477 -21.362 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.466 -4.717 -20.323 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.649 -5.645 -19.835 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.477 -4.238 -20.472 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.535 -4.761 -22.766 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.796 -6.208 -22.108 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.971 -7.159 -21.531 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.790 -5.647 -21.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.009 -7.194 -23.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.115 -5.833 -24.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.321 -7.298 -23.872 1.00 0.00 H new ATOM 765 N ASN A 48 -15.187 -3.980 -17.779 1.00 0.00 N ATOM 766 CA ASN A 48 -15.585 -4.809 -16.582 1.00 0.00 C ATOM 767 C ASN A 48 -15.948 -6.200 -17.096 1.00 0.00 C ATOM 768 O ASN A 48 -16.690 -6.321 -18.043 1.00 0.00 O ATOM 769 CB ASN A 48 -16.716 -4.143 -15.751 1.00 0.00 C ATOM 770 CG ASN A 48 -18.121 -4.221 -16.371 1.00 0.00 C ATOM 771 OD1 ASN A 48 -18.940 -3.371 -16.092 1.00 0.00 O ATOM 772 ND2 ASN A 48 -18.478 -5.208 -17.134 1.00 0.00 N ATOM 0 H ASN A 48 -15.945 -3.545 -18.305 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.755 -4.888 -15.879 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.745 -4.611 -14.767 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.462 -3.094 -15.598 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.433 -5.259 -17.488 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.803 -5.933 -17.380 1.00 0.00 H new ATOM 779 N ALA A 49 -15.400 -7.279 -16.551 1.00 0.00 N ATOM 780 CA ALA A 49 -15.764 -8.604 -17.118 1.00 0.00 C ATOM 781 C ALA A 49 -17.285 -8.692 -17.174 1.00 0.00 C ATOM 782 O ALA A 49 -17.851 -9.476 -17.912 1.00 0.00 O ATOM 783 CB ALA A 49 -15.215 -9.734 -16.246 1.00 0.00 C ATOM 0 H ALA A 49 -14.744 -7.288 -15.770 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.335 -8.707 -18.115 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -15.493 -10.695 -16.679 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.129 -9.659 -16.195 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -15.632 -9.654 -15.242 1.00 0.00 H new ATOM 789 N ARG A 50 -17.955 -7.851 -16.426 1.00 0.00 N ATOM 790 CA ARG A 50 -19.436 -7.852 -16.472 1.00 0.00 C ATOM 791 C ARG A 50 -19.821 -7.422 -17.886 1.00 0.00 C ATOM 792 O ARG A 50 -20.969 -7.445 -18.282 1.00 0.00 O ATOM 793 CB ARG A 50 -20.005 -6.894 -15.395 1.00 0.00 C ATOM 794 CG ARG A 50 -20.443 -7.698 -14.146 1.00 0.00 C ATOM 795 CD ARG A 50 -20.558 -6.788 -12.890 1.00 0.00 C ATOM 796 NE ARG A 50 -21.916 -6.928 -12.253 1.00 0.00 N ATOM 797 CZ ARG A 50 -23.022 -6.779 -12.937 1.00 0.00 C ATOM 798 NH1 ARG A 50 -22.982 -6.419 -14.189 1.00 0.00 N ATOM 799 NH2 ARG A 50 -24.175 -6.964 -12.353 1.00 0.00 N ATOM 0 H ARG A 50 -17.537 -7.170 -15.791 1.00 0.00 H new ATOM 0 HA ARG A 50 -19.851 -8.836 -16.254 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -19.251 -6.158 -15.117 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -20.855 -6.343 -15.799 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -21.403 -8.176 -14.339 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -19.724 -8.494 -13.954 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -19.784 -7.054 -12.170 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.388 -5.749 -13.171 1.00 0.00 H new ATOM 0 HE ARG A 50 -21.975 -7.146 -11.258 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -22.084 -6.251 -14.643 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -23.849 -6.305 -14.715 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -24.212 -7.224 -11.367 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -25.039 -6.849 -12.882 1.00 0.00 H new ATOM 813 N GLY A 51 -18.824 -7.075 -18.655 1.00 8.07 N ATOM 814 CA GLY A 51 -19.025 -6.686 -20.069 1.00 7.79 C ATOM 815 C GLY A 51 -19.183 -5.167 -20.238 1.00 9.08 C ATOM 816 O GLY A 51 -19.907 -4.725 -21.109 1.00 14.41 O ATOM 0 H GLY A 51 -17.852 -7.046 -18.346 1.00 8.07 H new ATOM 0 HA2 GLY A 51 -18.177 -7.029 -20.662 1.00 7.79 H new ATOM 0 HA3 GLY A 51 -19.911 -7.187 -20.459 1.00 7.79 H new ATOM 820 N GLN A 52 -18.514 -4.346 -19.442 1.00 0.00 N ATOM 821 CA GLN A 52 -18.664 -2.849 -19.631 1.00 0.00 C ATOM 822 C GLN A 52 -17.326 -2.126 -19.512 1.00 0.00 C ATOM 823 O GLN A 52 -16.365 -2.675 -19.062 1.00 0.00 O ATOM 824 CB GLN A 52 -19.746 -2.291 -18.659 1.00 0.00 C ATOM 825 CG GLN A 52 -19.195 -1.176 -17.752 1.00 0.00 C ATOM 826 CD GLN A 52 -20.243 -0.789 -16.727 1.00 0.00 C ATOM 827 OE1 GLN A 52 -20.677 -1.600 -15.932 1.00 0.00 O ATOM 828 NE2 GLN A 52 -20.672 0.436 -16.716 1.00 0.00 N ATOM 0 H GLN A 52 -17.888 -4.635 -18.690 1.00 0.00 H new ATOM 0 HA GLN A 52 -19.010 -2.658 -20.647 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -20.586 -1.905 -19.236 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -20.130 -3.103 -18.041 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.289 -1.516 -17.250 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.920 -0.308 -18.352 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -20.304 1.111 -17.386 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -21.377 0.723 -16.038 1.00 0.00 H new ATOM 837 N VAL A 53 -17.257 -0.888 -19.966 1.00 0.00 N ATOM 838 CA VAL A 53 -15.953 -0.147 -19.921 1.00 0.00 C ATOM 839 C VAL A 53 -16.105 1.267 -19.360 1.00 0.00 C ATOM 840 O VAL A 53 -17.150 1.883 -19.423 1.00 0.00 O ATOM 841 CB VAL A 53 -15.374 -0.053 -21.342 1.00 0.00 C ATOM 842 CG1 VAL A 53 -13.881 0.278 -21.276 1.00 0.00 C ATOM 843 CG2 VAL A 53 -15.576 -1.379 -22.086 1.00 0.00 C ATOM 0 H VAL A 53 -18.040 -0.367 -20.361 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.287 -0.701 -19.260 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.895 0.739 -21.880 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.478 0.343 -22.287 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.742 1.232 -20.768 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.359 -0.505 -20.727 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.162 -1.299 -23.091 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -15.069 -2.179 -21.547 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.641 -1.602 -22.149 1.00 0.00 H new ATOM 853 N GLY A 54 -15.025 1.770 -18.816 1.00 3.62 N ATOM 854 CA GLY A 54 -15.017 3.142 -18.231 1.00 3.70 C ATOM 855 C GLY A 54 -13.685 3.372 -17.499 1.00 4.69 C ATOM 856 O GLY A 54 -13.029 2.439 -17.077 1.00 7.25 O ATOM 0 H GLY A 54 -14.134 1.277 -18.753 1.00 3.62 H new ATOM 0 HA2 GLY A 54 -15.147 3.886 -19.017 1.00 3.70 H new ATOM 0 HA3 GLY A 54 -15.851 3.260 -17.539 1.00 3.70 H new ATOM 860 N LEU A 55 -13.294 4.604 -17.332 1.00 0.00 N ATOM 861 CA LEU A 55 -12.016 4.904 -16.613 1.00 0.00 C ATOM 862 C LEU A 55 -12.219 4.626 -15.117 1.00 0.00 C ATOM 863 O LEU A 55 -13.316 4.736 -14.605 1.00 0.00 O ATOM 864 CB LEU A 55 -11.663 6.385 -16.843 1.00 0.00 C ATOM 865 CG LEU A 55 -10.812 6.544 -18.116 1.00 0.00 C ATOM 866 CD1 LEU A 55 -9.432 5.855 -17.955 1.00 0.00 C ATOM 867 CD2 LEU A 55 -11.575 5.942 -19.303 1.00 0.00 C ATOM 0 H LEU A 55 -13.804 5.423 -17.663 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.203 4.280 -16.984 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.576 6.973 -16.933 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.118 6.773 -15.983 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.631 7.604 -18.293 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.852 5.983 -18.869 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.896 6.305 -17.119 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.576 4.792 -17.763 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.980 6.050 -20.210 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.763 4.885 -19.116 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.524 6.463 -19.427 1.00 0.00 H new ATOM 879 N VAL A 56 -11.177 4.256 -14.409 1.00 0.00 N ATOM 880 CA VAL A 56 -11.337 3.962 -12.951 1.00 0.00 C ATOM 881 C VAL A 56 -9.973 4.145 -12.240 1.00 0.00 C ATOM 882 O VAL A 56 -8.973 3.692 -12.760 1.00 0.00 O ATOM 883 CB VAL A 56 -11.813 2.500 -12.807 1.00 0.00 C ATOM 884 CG1 VAL A 56 -10.645 1.526 -13.009 1.00 0.00 C ATOM 885 CG2 VAL A 56 -12.411 2.273 -11.418 1.00 0.00 C ATOM 0 H VAL A 56 -10.231 4.146 -14.775 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.063 4.638 -12.499 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.570 2.318 -13.570 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.003 0.502 -12.903 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.225 1.663 -14.006 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.876 1.721 -12.262 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -12.743 1.239 -11.329 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.656 2.478 -10.659 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.261 2.940 -11.274 1.00 0.00 H new ATOM 895 N PRO A 57 -9.938 4.777 -11.072 1.00 3.33 N ATOM 896 CA PRO A 57 -8.660 4.944 -10.359 1.00 2.75 C ATOM 897 C PRO A 57 -7.965 3.582 -10.250 1.00 4.32 C ATOM 898 O PRO A 57 -8.443 2.674 -9.600 1.00 4.76 O ATOM 899 CB PRO A 57 -9.043 5.517 -8.973 1.00 2.92 C ATOM 900 CG PRO A 57 -10.564 5.845 -9.013 1.00 3.30 C ATOM 901 CD PRO A 57 -11.111 5.357 -10.378 1.00 2.53 C ATOM 0 HA PRO A 57 -7.963 5.610 -10.867 1.00 2.75 H new ATOM 0 HB2 PRO A 57 -8.826 4.795 -8.185 1.00 2.92 H new ATOM 0 HB3 PRO A 57 -8.462 6.413 -8.754 1.00 2.92 H new ATOM 0 HG2 PRO A 57 -11.084 5.351 -8.193 1.00 3.30 H new ATOM 0 HG3 PRO A 57 -10.728 6.916 -8.895 1.00 3.30 H new ATOM 0 HD2 PRO A 57 -11.899 4.615 -10.246 1.00 2.53 H new ATOM 0 HD3 PRO A 57 -11.541 6.180 -10.949 1.00 2.53 H new ATOM 909 N LYS A 58 -6.850 3.432 -10.909 1.00 0.00 N ATOM 910 CA LYS A 58 -6.122 2.133 -10.881 1.00 0.00 C ATOM 911 C LYS A 58 -5.716 1.768 -9.448 1.00 0.00 C ATOM 912 O LYS A 58 -5.068 0.767 -9.219 1.00 0.00 O ATOM 913 CB LYS A 58 -4.878 2.254 -11.769 1.00 0.00 C ATOM 914 CG LYS A 58 -3.679 2.841 -10.969 1.00 0.00 C ATOM 915 CD LYS A 58 -4.045 4.213 -10.370 1.00 0.00 C ATOM 916 CE LYS A 58 -2.844 4.793 -9.615 1.00 0.00 C ATOM 917 NZ LYS A 58 -3.204 6.130 -9.062 1.00 0.00 N ATOM 0 H LYS A 58 -6.408 4.160 -11.470 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.773 1.342 -11.254 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.612 1.274 -12.164 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.098 2.893 -12.624 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.396 2.154 -10.171 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.814 2.943 -11.624 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.350 4.895 -11.163 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.894 4.109 -9.694 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.549 4.121 -8.809 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.989 4.883 -10.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.398 6.779 -9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.025 6.509 -9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.440 6.036 -8.054 1.00 0.00 H new ATOM 931 N ASN A 59 -6.098 2.564 -8.484 1.00 10.56 N ATOM 932 CA ASN A 59 -5.742 2.264 -7.058 1.00 9.74 C ATOM 933 C ASN A 59 -6.962 1.668 -6.344 1.00 9.95 C ATOM 934 O ASN A 59 -6.879 1.223 -5.217 1.00 8.95 O ATOM 935 CB ASN A 59 -5.312 3.567 -6.361 1.00 10.40 C ATOM 936 CG ASN A 59 -6.492 4.540 -6.313 1.00 12.58 C ATOM 937 OD1 ASN A 59 -7.633 4.131 -6.399 1.00 14.84 O ATOM 938 ND2 ASN A 59 -6.267 5.817 -6.174 1.00 14.09 N ATOM 0 H ASN A 59 -6.644 3.415 -8.620 1.00 10.56 H new ATOM 0 HA ASN A 59 -4.922 1.547 -7.023 1.00 9.74 H new ATOM 0 HB2 ASN A 59 -4.964 3.352 -5.351 1.00 10.40 H new ATOM 0 HB3 ASN A 59 -4.477 4.019 -6.897 1.00 10.40 H new ATOM 0 HD21 ASN A 59 -7.048 6.472 -6.138 1.00 14.09 H new ATOM 0 HD22 ASN A 59 -5.310 6.161 -6.102 1.00 14.09 H new ATOM 945 N TYR A 60 -8.097 1.662 -6.992 1.00 10.23 N ATOM 946 CA TYR A 60 -9.331 1.104 -6.357 1.00 5.50 C ATOM 947 C TYR A 60 -9.427 -0.399 -6.657 1.00 5.21 C ATOM 948 O TYR A 60 -10.426 -1.032 -6.377 1.00 7.16 O ATOM 949 CB TYR A 60 -10.560 1.821 -6.946 1.00 3.37 C ATOM 950 CG TYR A 60 -11.169 2.767 -5.931 1.00 2.00 C ATOM 951 CD1 TYR A 60 -10.608 4.032 -5.715 1.00 4.04 C ATOM 952 CD2 TYR A 60 -12.304 2.375 -5.210 1.00 2.00 C ATOM 953 CE1 TYR A 60 -11.183 4.902 -4.783 1.00 4.04 C ATOM 954 CE2 TYR A 60 -12.879 3.243 -4.278 1.00 2.69 C ATOM 955 CZ TYR A 60 -12.320 4.509 -4.062 1.00 4.45 C ATOM 956 OH TYR A 60 -12.887 5.368 -3.145 1.00 9.52 O ATOM 0 H TYR A 60 -8.225 2.021 -7.938 1.00 10.23 H new ATOM 0 HA TYR A 60 -9.293 1.255 -5.278 1.00 5.50 H new ATOM 0 HB2 TYR A 60 -10.270 2.376 -7.838 1.00 3.37 H new ATOM 0 HB3 TYR A 60 -11.302 1.085 -7.255 1.00 3.37 H new ATOM 0 HD1 TYR A 60 -9.731 4.336 -6.268 1.00 4.04 H new ATOM 0 HD2 TYR A 60 -12.736 1.399 -5.375 1.00 2.00 H new ATOM 0 HE1 TYR A 60 -10.751 5.878 -4.618 1.00 4.04 H new ATOM 0 HE2 TYR A 60 -13.754 2.938 -3.724 1.00 2.69 H new ATOM 0 HH TYR A 60 -13.668 4.940 -2.735 1.00 9.52 H new ATOM 966 N VAL A 61 -8.403 -0.972 -7.233 1.00 5.00 N ATOM 967 CA VAL A 61 -8.443 -2.430 -7.562 1.00 4.84 C ATOM 968 C VAL A 61 -7.034 -3.019 -7.442 1.00 5.03 C ATOM 969 O VAL A 61 -6.050 -2.319 -7.558 1.00 5.61 O ATOM 970 CB VAL A 61 -8.948 -2.612 -9.003 1.00 6.97 C ATOM 971 CG1 VAL A 61 -10.285 -1.888 -9.177 1.00 2.00 C ATOM 972 CG2 VAL A 61 -7.932 -2.025 -9.991 1.00 2.97 C ATOM 0 H VAL A 61 -7.539 -0.494 -7.491 1.00 5.00 H new ATOM 0 HA VAL A 61 -9.112 -2.941 -6.870 1.00 4.84 H new ATOM 0 HB VAL A 61 -9.076 -3.677 -9.199 1.00 6.97 H new ATOM 0 HG11 VAL A 61 -10.640 -2.019 -10.199 1.00 2.00 H new ATOM 0 HG12 VAL A 61 -11.016 -2.303 -8.483 1.00 2.00 H new ATOM 0 HG13 VAL A 61 -10.153 -0.826 -8.972 1.00 2.00 H new ATOM 0 HG21 VAL A 61 -8.297 -2.158 -11.010 1.00 2.97 H new ATOM 0 HG22 VAL A 61 -7.800 -0.962 -9.788 1.00 2.97 H new ATOM 0 HG23 VAL A 61 -6.977 -2.537 -9.878 1.00 2.97 H new ATOM 982 N VAL A 62 -6.934 -4.310 -7.229 1.00 0.00 N ATOM 983 CA VAL A 62 -5.582 -4.962 -7.121 1.00 0.00 C ATOM 984 C VAL A 62 -5.335 -5.765 -8.392 1.00 0.00 C ATOM 985 O VAL A 62 -6.252 -6.086 -9.102 1.00 0.00 O ATOM 986 CB VAL A 62 -5.549 -5.905 -5.917 1.00 0.00 C ATOM 987 CG1 VAL A 62 -6.675 -6.934 -6.040 1.00 0.00 C ATOM 988 CG2 VAL A 62 -4.205 -6.632 -5.874 1.00 0.00 C ATOM 0 H VAL A 62 -7.727 -4.943 -7.125 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.814 -4.199 -6.993 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.682 -5.326 -5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.650 -7.605 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.636 -6.420 -6.071 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.542 -7.511 -6.955 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.182 -7.304 -5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.074 -7.208 -6.790 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.400 -5.903 -5.786 1.00 0.00 H new ATOM 998 N VAL A 63 -4.104 -6.089 -8.680 1.00 0.00 N ATOM 999 CA VAL A 63 -3.787 -6.879 -9.919 1.00 0.00 C ATOM 1000 C VAL A 63 -3.395 -8.306 -9.536 1.00 0.00 C ATOM 1001 O VAL A 63 -2.620 -8.528 -8.626 1.00 0.00 O ATOM 1002 CB VAL A 63 -2.626 -6.212 -10.662 1.00 0.00 C ATOM 1003 CG1 VAL A 63 -2.099 -7.152 -11.749 1.00 0.00 C ATOM 1004 CG2 VAL A 63 -3.116 -4.914 -11.306 1.00 0.00 C ATOM 0 H VAL A 63 -3.295 -5.842 -8.111 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.666 -6.909 -10.563 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.824 -5.992 -9.957 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.273 -6.673 -12.275 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.750 -8.078 -11.292 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.898 -7.375 -12.456 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.292 -4.437 -11.836 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.918 -5.137 -12.009 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.488 -4.242 -10.533 1.00 0.00 H new ATOM 1014 N LEU A 64 -3.935 -9.277 -10.230 1.00 0.00 N ATOM 1015 CA LEU A 64 -3.615 -10.709 -9.927 1.00 0.00 C ATOM 1016 C LEU A 64 -2.667 -11.253 -11.005 1.00 0.00 C ATOM 1017 O LEU A 64 -1.544 -11.625 -10.721 1.00 0.00 O ATOM 1018 CB LEU A 64 -4.921 -11.523 -9.919 1.00 0.00 C ATOM 1019 CG LEU A 64 -5.867 -11.021 -8.808 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -7.215 -11.767 -8.854 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -5.208 -11.231 -7.436 1.00 0.00 C ATOM 0 H LEU A 64 -4.589 -9.139 -11.000 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.133 -10.788 -8.952 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.413 -11.440 -10.888 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.697 -12.578 -9.764 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.055 -9.959 -8.969 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.864 -11.395 -8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.691 -11.600 -9.820 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.045 -12.834 -8.713 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.878 -10.876 -6.653 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.006 -12.292 -7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.272 -10.674 -7.393 1.00 0.00 H new ATOM 1033 N SER A 65 -3.105 -11.309 -12.235 1.00 0.00 N ATOM 1034 CA SER A 65 -2.216 -11.834 -13.316 1.00 0.00 C ATOM 1035 C SER A 65 -1.085 -10.837 -13.576 1.00 0.00 C ATOM 1036 O SER A 65 -1.234 -9.647 -13.370 1.00 0.00 O ATOM 1037 CB SER A 65 -3.025 -12.049 -14.600 1.00 0.00 C ATOM 1038 OG SER A 65 -3.788 -10.881 -14.868 1.00 0.00 O ATOM 0 H SER A 65 -4.034 -11.016 -12.538 1.00 0.00 H new ATOM 0 HA SER A 65 -1.792 -12.788 -13.001 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.357 -12.262 -15.435 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.683 -12.911 -14.490 1.00 0.00 H new ATOM 0 HG SER A 65 -4.257 -10.986 -15.722 1.00 0.00 H new ATOM 1044 N ASP A 66 0.047 -11.310 -14.020 1.00 0.00 N ATOM 1045 CA ASP A 66 1.196 -10.394 -14.289 1.00 0.00 C ATOM 1046 C ASP A 66 2.003 -10.926 -15.477 1.00 0.00 C ATOM 1047 O ASP A 66 2.027 -12.111 -15.742 1.00 0.00 O ATOM 1048 CB ASP A 66 2.093 -10.328 -13.052 1.00 0.00 C ATOM 1049 CG ASP A 66 3.027 -9.120 -13.160 1.00 0.00 C ATOM 1050 OD1 ASP A 66 2.638 -8.149 -13.788 1.00 0.00 O ATOM 1051 OD2 ASP A 66 4.113 -9.185 -12.610 1.00 0.00 O ATOM 0 H ASP A 66 0.228 -12.296 -14.209 1.00 0.00 H new ATOM 0 HA ASP A 66 0.822 -9.397 -14.521 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.483 -10.250 -12.152 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.676 -11.245 -12.964 1.00 0.00 H new ATOM 1056 N GLY A 67 2.666 -10.060 -16.195 1.00 0.00 N ATOM 1057 CA GLY A 67 3.471 -10.517 -17.365 1.00 0.00 C ATOM 1058 C GLY A 67 4.846 -11.005 -16.885 1.00 0.00 C ATOM 1059 O GLY A 67 5.135 -12.184 -16.969 1.00 0.00 O ATOM 0 H GLY A 67 2.685 -9.055 -16.022 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.950 -11.320 -17.886 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.592 -9.701 -18.077 1.00 0.00 H new ATOM 1063 N PRO A 68 5.662 -10.096 -16.390 1.00 0.00 N ATOM 1064 CA PRO A 68 7.003 -10.456 -15.895 1.00 0.00 C ATOM 1065 C PRO A 68 6.878 -11.484 -14.759 1.00 0.00 C ATOM 1066 O PRO A 68 6.738 -11.129 -13.604 1.00 0.00 O ATOM 1067 CB PRO A 68 7.615 -9.126 -15.394 1.00 0.00 C ATOM 1068 CG PRO A 68 6.541 -8.014 -15.592 1.00 0.00 C ATOM 1069 CD PRO A 68 5.321 -8.661 -16.283 1.00 0.00 C ATOM 0 HA PRO A 68 7.630 -10.914 -16.660 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.897 -9.205 -14.344 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.522 -8.887 -15.950 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.254 -7.584 -14.633 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.939 -7.201 -16.200 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.412 -8.513 -15.700 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.144 -8.222 -17.265 1.00 0.00 H new ATOM 1077 N ALA A 69 6.945 -12.751 -15.083 1.00 0.00 N ATOM 1078 CA ALA A 69 6.853 -13.816 -14.047 1.00 0.00 C ATOM 1079 C ALA A 69 8.185 -14.551 -14.003 1.00 0.00 C ATOM 1080 O ALA A 69 8.360 -15.597 -14.594 1.00 0.00 O ATOM 1081 CB ALA A 69 5.742 -14.800 -14.423 1.00 0.00 C ATOM 0 H ALA A 69 7.061 -13.094 -16.037 1.00 0.00 H new ATOM 0 HA ALA A 69 6.628 -13.379 -13.074 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.675 -15.580 -13.664 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.792 -14.270 -14.484 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.968 -15.252 -15.389 1.00 0.00 H new ATOM 1087 N LEU A 70 9.119 -13.996 -13.302 1.00 0.00 N ATOM 1088 CA LEU A 70 10.465 -14.634 -13.192 1.00 0.00 C ATOM 1089 C LEU A 70 10.440 -15.673 -12.070 1.00 0.00 C ATOM 1090 O LEU A 70 10.094 -15.377 -10.943 1.00 0.00 O ATOM 1091 CB LEU A 70 11.511 -13.559 -12.869 1.00 0.00 C ATOM 1092 CG LEU A 70 11.741 -12.652 -14.096 1.00 0.00 C ATOM 1093 CD1 LEU A 70 12.271 -11.288 -13.640 1.00 0.00 C ATOM 1094 CD2 LEU A 70 12.768 -13.290 -15.043 1.00 0.00 C ATOM 0 H LEU A 70 9.016 -13.119 -12.792 1.00 0.00 H new ATOM 0 HA LEU A 70 10.720 -15.119 -14.134 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.177 -12.959 -12.022 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.449 -14.031 -12.576 1.00 0.00 H new ATOM 0 HG LEU A 70 10.792 -12.528 -14.618 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.432 -10.651 -14.510 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.545 -10.819 -12.976 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.214 -11.423 -13.110 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.921 -12.640 -15.905 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.713 -13.425 -14.517 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.399 -14.259 -15.380 1.00 0.00 H new ATOM 1106 N HIS A 71 10.804 -16.892 -12.366 1.00 0.00 N ATOM 1107 CA HIS A 71 10.799 -17.948 -11.315 1.00 0.00 C ATOM 1108 C HIS A 71 9.451 -17.941 -10.593 1.00 0.00 C ATOM 1109 CB HIS A 71 11.919 -17.668 -10.309 1.00 0.00 C ATOM 1110 CG HIS A 71 12.101 -18.863 -9.415 1.00 0.00 C ATOM 1111 ND1 HIS A 71 11.194 -19.911 -9.387 1.00 0.00 N ATOM 1112 CD2 HIS A 71 13.081 -19.192 -8.510 1.00 0.00 C ATOM 1113 CE1 HIS A 71 11.642 -20.812 -8.494 1.00 0.00 C ATOM 1114 NE2 HIS A 71 12.788 -20.423 -7.931 1.00 0.00 N ATOM 0 H HIS A 71 11.104 -17.201 -13.290 1.00 0.00 H new ATOM 0 HA HIS A 71 10.959 -18.923 -11.776 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.848 -17.449 -10.835 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.675 -16.788 -9.713 1.00 0.00 H new ATOM 0 HD2 HIS A 71 13.947 -18.588 -8.283 1.00 0.00 H new ATOM 0 HE1 HIS A 71 11.136 -21.737 -8.261 1.00 0.00 H new ATOM 0 HE2 HIS A 71 13.332 -20.921 -7.227 1.00 0.00 H new TER 1122 HIS A 71 ATOM 1123 N GLY B 72 -15.164 -12.489 6.620 1.00 0.00 N ATOM 1124 CA GLY B 72 -14.195 -12.718 5.512 1.00 0.00 C ATOM 1125 C GLY B 72 -13.669 -11.372 5.007 1.00 0.00 C ATOM 1126 O GLY B 72 -13.734 -11.070 3.833 1.00 0.00 O ATOM 0 HA2 GLY B 72 -13.368 -13.336 5.860 1.00 0.00 H new ATOM 0 HA3 GLY B 72 -14.678 -13.260 4.699 1.00 0.00 H new ATOM 1131 N SER B 73 -13.146 -10.564 5.886 1.00 0.00 N ATOM 1132 CA SER B 73 -12.616 -9.238 5.457 1.00 0.00 C ATOM 1133 C SER B 73 -11.236 -9.423 4.823 1.00 0.00 C ATOM 1134 O SER B 73 -10.543 -10.384 5.090 1.00 0.00 O ATOM 1135 CB SER B 73 -12.500 -8.317 6.671 1.00 0.00 C ATOM 1136 OG SER B 73 -13.685 -8.413 7.449 1.00 0.00 O ATOM 0 H SER B 73 -13.062 -10.763 6.883 1.00 0.00 H new ATOM 0 HA SER B 73 -13.295 -8.794 4.729 1.00 0.00 H new ATOM 0 HB2 SER B 73 -11.634 -8.595 7.271 1.00 0.00 H new ATOM 0 HB3 SER B 73 -12.346 -7.288 6.347 1.00 0.00 H new ATOM 0 HG SER B 73 -13.613 -7.825 8.229 1.00 0.00 H new ATOM 1142 N MET B 74 -10.831 -8.507 3.986 1.00 0.00 N ATOM 1143 CA MET B 74 -9.496 -8.631 3.336 1.00 0.00 C ATOM 1144 C MET B 74 -8.434 -8.914 4.400 1.00 0.00 C ATOM 1145 O MET B 74 -8.681 -8.788 5.585 1.00 0.00 O ATOM 1146 CB MET B 74 -9.158 -7.327 2.610 1.00 0.00 C ATOM 1147 CG MET B 74 -10.373 -6.862 1.805 1.00 0.00 C ATOM 1148 SD MET B 74 -9.881 -5.525 0.690 1.00 0.00 S ATOM 1149 CE MET B 74 -11.469 -4.655 0.661 1.00 0.00 C ATOM 0 H MET B 74 -11.366 -7.679 3.725 1.00 0.00 H new ATOM 0 HA MET B 74 -9.517 -9.451 2.618 1.00 0.00 H new ATOM 0 HB2 MET B 74 -8.871 -6.561 3.330 1.00 0.00 H new ATOM 0 HB3 MET B 74 -8.305 -7.477 1.948 1.00 0.00 H new ATOM 0 HG2 MET B 74 -10.784 -7.694 1.233 1.00 0.00 H new ATOM 0 HG3 MET B 74 -11.159 -6.518 2.478 1.00 0.00 H new ATOM 0 HE1 MET B 74 -11.367 -3.731 0.092 1.00 0.00 H new ATOM 0 HE2 MET B 74 -12.222 -5.289 0.193 1.00 0.00 H new ATOM 0 HE3 MET B 74 -11.774 -4.421 1.681 1.00 0.00 H new ATOM 1159 N GLY B 75 -7.254 -9.289 3.991 1.00 0.00 N ATOM 1160 CA GLY B 75 -6.178 -9.577 4.983 1.00 0.00 C ATOM 1161 C GLY B 75 -4.845 -9.758 4.254 1.00 0.00 C ATOM 1162 O GLY B 75 -4.111 -10.692 4.510 1.00 0.00 O ATOM 0 H GLY B 75 -6.987 -9.409 3.014 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -6.103 -8.761 5.701 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -6.421 -10.477 5.547 1.00 0.00 H new ATOM 1166 N VAL B 76 -4.529 -8.873 3.349 1.00 0.00 N ATOM 1167 CA VAL B 76 -3.243 -8.997 2.604 1.00 0.00 C ATOM 1168 C VAL B 76 -2.810 -7.612 2.099 1.00 0.00 C ATOM 1169 O VAL B 76 -3.590 -6.916 1.484 1.00 0.00 O ATOM 1170 CB VAL B 76 -3.434 -9.925 1.396 1.00 0.00 C ATOM 1171 CG1 VAL B 76 -2.487 -9.511 0.269 1.00 0.00 C ATOM 1172 CG2 VAL B 76 -3.126 -11.371 1.776 1.00 0.00 C ATOM 0 H VAL B 76 -5.104 -8.070 3.093 1.00 0.00 H new ATOM 0 HA VAL B 76 -2.483 -9.407 3.269 1.00 0.00 H new ATOM 0 HB VAL B 76 -4.471 -9.846 1.068 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -2.627 -10.173 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.702 -8.485 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -1.456 -9.580 0.616 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -3.267 -12.014 0.907 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -2.094 -11.445 2.119 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -3.797 -11.688 2.574 1.00 0.00 H new ATOM 1182 N PRO B 77 -1.571 -7.267 2.347 1.00 0.00 N ATOM 1183 CA PRO B 77 -1.018 -5.990 1.894 1.00 0.00 C ATOM 1184 C PRO B 77 -0.773 -6.064 0.404 1.00 0.00 C ATOM 1185 O PRO B 77 -0.742 -7.129 -0.179 1.00 0.00 O ATOM 1186 CB PRO B 77 0.310 -5.841 2.642 1.00 0.00 C ATOM 1187 CG PRO B 77 0.573 -7.177 3.375 1.00 0.00 C ATOM 1188 CD PRO B 77 -0.622 -8.098 3.107 1.00 0.00 C ATOM 0 HA PRO B 77 -1.683 -5.148 2.086 1.00 0.00 H new ATOM 0 HB2 PRO B 77 1.120 -5.617 1.948 1.00 0.00 H new ATOM 0 HB3 PRO B 77 0.261 -5.015 3.352 1.00 0.00 H new ATOM 0 HG2 PRO B 77 1.496 -7.634 3.018 1.00 0.00 H new ATOM 0 HG3 PRO B 77 0.694 -7.009 4.445 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -0.323 -8.979 2.539 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -1.064 -8.454 4.038 1.00 0.00 H new ATOM 1196 N ILE B 78 -0.600 -4.946 -0.214 1.00 0.00 N ATOM 1197 CA ILE B 78 -0.357 -4.949 -1.672 1.00 0.00 C ATOM 1198 C ILE B 78 0.779 -3.994 -1.996 1.00 0.00 C ATOM 1199 O ILE B 78 0.732 -2.814 -1.709 1.00 0.00 O ATOM 1200 CB ILE B 78 -1.638 -4.559 -2.394 1.00 0.00 C ATOM 1201 CG1 ILE B 78 -2.586 -5.755 -2.316 1.00 0.00 C ATOM 1202 CG2 ILE B 78 -1.318 -4.243 -3.850 1.00 0.00 C ATOM 1203 CD1 ILE B 78 -4.039 -5.316 -2.453 1.00 0.00 C ATOM 0 H ILE B 78 -0.616 -4.026 0.225 1.00 0.00 H new ATOM 0 HA ILE B 78 -0.067 -5.945 -2.007 1.00 0.00 H new ATOM 0 HB ILE B 78 -2.094 -3.680 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE B 78 -2.343 -6.467 -3.104 1.00 0.00 H new ATOM 0 HG13 ILE B 78 -2.447 -6.271 -1.366 1.00 0.00 H new ATOM 0 HG21 ILE B 78 -2.233 -3.963 -4.371 1.00 0.00 H new ATOM 0 HG22 ILE B 78 -0.608 -3.418 -3.896 1.00 0.00 H new ATOM 0 HG23 ILE B 78 -0.884 -5.122 -4.326 1.00 0.00 H new ATOM 0 HD11 ILE B 78 -4.690 -6.188 -2.394 1.00 0.00 H new ATOM 0 HD12 ILE B 78 -4.287 -4.623 -1.649 1.00 0.00 H new ATOM 0 HD13 ILE B 78 -4.181 -4.822 -3.414 1.00 0.00 H new ATOM 1215 N CYS B 79 1.818 -4.524 -2.566 1.00 0.00 N ATOM 1216 CA CYS B 79 2.998 -3.697 -2.894 1.00 0.00 C ATOM 1217 C CYS B 79 2.594 -2.558 -3.818 1.00 0.00 C ATOM 1218 O CYS B 79 2.146 -2.761 -4.929 1.00 0.00 O ATOM 1219 CB CYS B 79 4.059 -4.572 -3.559 1.00 0.00 C ATOM 1220 SG CYS B 79 5.379 -3.538 -4.229 1.00 0.00 S ATOM 0 H CYS B 79 1.898 -5.508 -2.821 1.00 0.00 H new ATOM 0 HA CYS B 79 3.410 -3.270 -1.980 1.00 0.00 H new ATOM 0 HB2 CYS B 79 4.469 -5.275 -2.834 1.00 0.00 H new ATOM 0 HB3 CYS B 79 3.608 -5.163 -4.356 1.00 0.00 H new ATOM 1225 N GLY B 80 2.749 -1.355 -3.353 1.00 0.00 N ATOM 1226 CA GLY B 80 2.377 -0.179 -4.181 1.00 0.00 C ATOM 1227 C GLY B 80 3.281 -0.117 -5.409 1.00 0.00 C ATOM 1228 O GLY B 80 3.165 0.764 -6.236 1.00 0.00 O ATOM 0 H GLY B 80 3.120 -1.133 -2.429 1.00 0.00 H new ATOM 0 HA2 GLY B 80 1.333 -0.252 -4.487 1.00 0.00 H new ATOM 0 HA3 GLY B 80 2.475 0.736 -3.597 1.00 0.00 H new ATOM 1232 N ALA B 81 4.189 -1.046 -5.531 1.00 0.00 N ATOM 1233 CA ALA B 81 5.105 -1.042 -6.703 1.00 0.00 C ATOM 1234 C ALA B 81 4.449 -1.783 -7.865 1.00 0.00 C ATOM 1235 O ALA B 81 4.412 -1.304 -8.981 1.00 0.00 O ATOM 1236 CB ALA B 81 6.418 -1.732 -6.325 1.00 0.00 C ATOM 0 H ALA B 81 4.335 -1.808 -4.868 1.00 0.00 H new ATOM 0 HA ALA B 81 5.311 -0.014 -7.002 1.00 0.00 H new ATOM 0 HB1 ALA B 81 7.090 -1.730 -7.183 1.00 0.00 H new ATOM 0 HB2 ALA B 81 6.884 -1.198 -5.497 1.00 0.00 H new ATOM 0 HB3 ALA B 81 6.216 -2.760 -6.025 1.00 0.00 H new ATOM 1242 N CYS B 82 3.930 -2.950 -7.605 1.00 0.00 N ATOM 1243 CA CYS B 82 3.268 -3.740 -8.681 1.00 0.00 C ATOM 1244 C CYS B 82 1.786 -3.901 -8.344 1.00 0.00 C ATOM 1245 O CYS B 82 1.057 -4.592 -9.029 1.00 0.00 O ATOM 1246 CB CYS B 82 3.924 -5.119 -8.771 1.00 0.00 C ATOM 1247 SG CYS B 82 4.304 -5.709 -7.103 1.00 0.00 S ATOM 0 H CYS B 82 3.936 -3.394 -6.687 1.00 0.00 H new ATOM 0 HA CYS B 82 3.372 -3.225 -9.636 1.00 0.00 H new ATOM 0 HB2 CYS B 82 3.258 -5.820 -9.274 1.00 0.00 H new ATOM 0 HB3 CYS B 82 4.836 -5.063 -9.366 1.00 0.00 H new ATOM 1252 N ARG B 83 1.336 -3.277 -7.288 1.00 0.00 N ATOM 1253 CA ARG B 83 -0.093 -3.406 -6.907 1.00 0.00 C ATOM 1254 C ARG B 83 -0.434 -4.888 -6.799 1.00 0.00 C ATOM 1255 O ARG B 83 -1.483 -5.329 -7.222 1.00 0.00 O ATOM 1256 CB ARG B 83 -0.978 -2.744 -7.969 1.00 0.00 C ATOM 1257 CG ARG B 83 -0.745 -1.225 -7.969 1.00 0.00 C ATOM 1258 CD ARG B 83 -1.615 -0.555 -9.042 1.00 0.00 C ATOM 1259 NE ARG B 83 -1.166 -0.972 -10.410 1.00 0.00 N ATOM 1260 CZ ARG B 83 -0.174 -0.375 -11.015 1.00 0.00 C ATOM 1261 NH1 ARG B 83 0.359 0.703 -10.509 1.00 0.00 N ATOM 1262 NH2 ARG B 83 0.259 -0.835 -12.158 1.00 0.00 N ATOM 0 H ARG B 83 1.898 -2.685 -6.676 1.00 0.00 H new ATOM 0 HA ARG B 83 -0.269 -2.913 -5.951 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -0.751 -3.156 -8.952 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -2.027 -2.960 -7.767 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -0.983 -0.813 -6.988 1.00 0.00 H new ATOM 0 HG3 ARG B 83 0.307 -1.011 -8.158 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -2.660 -0.828 -8.896 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -1.553 0.529 -8.946 1.00 0.00 H new ATOM 0 HE ARG B 83 -1.646 -1.740 -10.879 1.00 0.00 H new ATOM 0 HH11 ARG B 83 0.001 1.086 -9.634 1.00 0.00 H new ATOM 0 HH12 ARG B 83 1.133 1.162 -10.988 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -0.177 -1.657 -12.575 1.00 0.00 H new ATOM 0 HH22 ARG B 83 1.033 -0.372 -12.634 1.00 0.00 H new ATOM 1276 N ARG B 84 0.456 -5.659 -6.231 1.00 0.00 N ATOM 1277 CA ARG B 84 0.207 -7.121 -6.083 1.00 0.00 C ATOM 1278 C ARG B 84 0.132 -7.453 -4.587 1.00 0.00 C ATOM 1279 O ARG B 84 0.856 -6.874 -3.803 1.00 0.00 O ATOM 1280 CB ARG B 84 1.362 -7.904 -6.719 1.00 0.00 C ATOM 1281 CG ARG B 84 1.124 -8.046 -8.224 1.00 0.00 C ATOM 1282 CD ARG B 84 2.225 -8.914 -8.832 1.00 0.00 C ATOM 1283 NE ARG B 84 2.317 -10.198 -8.084 1.00 0.00 N ATOM 1284 CZ ARG B 84 3.259 -11.054 -8.366 1.00 0.00 C ATOM 1285 NH1 ARG B 84 4.124 -10.784 -9.306 1.00 0.00 N ATOM 1286 NH2 ARG B 84 3.338 -12.179 -7.711 1.00 0.00 N ATOM 0 H ARG B 84 1.350 -5.335 -5.861 1.00 0.00 H new ATOM 0 HA ARG B 84 -0.726 -7.393 -6.577 1.00 0.00 H new ATOM 0 HB2 ARG B 84 2.306 -7.390 -6.538 1.00 0.00 H new ATOM 0 HB3 ARG B 84 1.442 -8.889 -6.260 1.00 0.00 H new ATOM 0 HG2 ARG B 84 0.148 -8.495 -8.408 1.00 0.00 H new ATOM 0 HG3 ARG B 84 1.117 -7.064 -8.697 1.00 0.00 H new ATOM 0 HD2 ARG B 84 2.011 -9.108 -9.883 1.00 0.00 H new ATOM 0 HD3 ARG B 84 3.180 -8.389 -8.793 1.00 0.00 H new ATOM 0 HE ARG B 84 1.642 -10.408 -7.349 1.00 0.00 H new ATOM 0 HH11 ARG B 84 4.062 -9.904 -9.819 1.00 0.00 H new ATOM 0 HH12 ARG B 84 4.862 -11.453 -9.528 1.00 0.00 H new ATOM 0 HH21 ARG B 84 2.662 -12.390 -6.977 1.00 0.00 H new ATOM 0 HH22 ARG B 84 4.076 -12.848 -7.933 1.00 0.00 H new ATOM 1300 N PRO B 85 -0.736 -8.368 -4.225 1.00 0.00 N ATOM 1301 CA PRO B 85 -0.895 -8.760 -2.816 1.00 0.00 C ATOM 1302 C PRO B 85 0.439 -9.229 -2.236 1.00 0.00 C ATOM 1303 O PRO B 85 0.974 -10.247 -2.624 1.00 0.00 O ATOM 1304 CB PRO B 85 -1.934 -9.892 -2.839 1.00 0.00 C ATOM 1305 CG PRO B 85 -2.418 -10.064 -4.296 1.00 0.00 C ATOM 1306 CD PRO B 85 -1.616 -9.084 -5.170 1.00 0.00 C ATOM 0 HA PRO B 85 -1.219 -7.933 -2.185 1.00 0.00 H new ATOM 0 HB2 PRO B 85 -1.496 -10.820 -2.471 1.00 0.00 H new ATOM 0 HB3 PRO B 85 -2.772 -9.654 -2.184 1.00 0.00 H new ATOM 0 HG2 PRO B 85 -2.266 -11.090 -4.632 1.00 0.00 H new ATOM 0 HG3 PRO B 85 -3.486 -9.859 -4.372 1.00 0.00 H new ATOM 0 HD2 PRO B 85 -1.037 -9.612 -5.927 1.00 0.00 H new ATOM 0 HD3 PRO B 85 -2.275 -8.394 -5.697 1.00 0.00 H new ATOM 1314 N ILE B 86 0.976 -8.492 -1.298 1.00 0.00 N ATOM 1315 CA ILE B 86 2.276 -8.904 -0.687 1.00 0.00 C ATOM 1316 C ILE B 86 2.035 -10.139 0.183 1.00 0.00 C ATOM 1317 O ILE B 86 0.920 -10.406 0.590 1.00 0.00 O ATOM 1318 CB ILE B 86 2.850 -7.754 0.148 1.00 0.00 C ATOM 1319 CG1 ILE B 86 3.167 -6.567 -0.770 1.00 0.00 C ATOM 1320 CG2 ILE B 86 4.140 -8.210 0.834 1.00 0.00 C ATOM 1321 CD1 ILE B 86 3.025 -5.255 0.010 1.00 0.00 C ATOM 0 H ILE B 86 0.575 -7.629 -0.931 1.00 0.00 H new ATOM 0 HA ILE B 86 2.998 -9.146 -1.467 1.00 0.00 H new ATOM 0 HB ILE B 86 2.119 -7.457 0.900 1.00 0.00 H new ATOM 0 HG12 ILE B 86 4.180 -6.659 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.492 -6.567 -1.626 1.00 0.00 H new ATOM 0 HG21 ILE B 86 4.546 -7.390 1.427 1.00 0.00 H new ATOM 0 HG22 ILE B 86 3.926 -9.058 1.485 1.00 0.00 H new ATOM 0 HG23 ILE B 86 4.868 -8.507 0.079 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.251 -4.415 -0.647 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.004 -5.161 0.381 1.00 0.00 H new ATOM 0 HD13 ILE B 86 3.718 -5.255 0.851 1.00 0.00 H new ATOM 1333 N GLU B 87 3.052 -10.911 0.459 1.00 0.00 N ATOM 1334 CA GLU B 87 2.833 -12.137 1.288 1.00 0.00 C ATOM 1335 C GLU B 87 4.150 -12.622 1.893 1.00 0.00 C ATOM 1336 O GLU B 87 4.597 -13.724 1.641 1.00 0.00 O ATOM 1337 CB GLU B 87 2.234 -13.239 0.409 1.00 0.00 C ATOM 1338 CG GLU B 87 2.903 -13.218 -0.966 1.00 0.00 C ATOM 1339 CD GLU B 87 2.620 -14.533 -1.695 1.00 0.00 C ATOM 1340 OE1 GLU B 87 1.547 -14.652 -2.266 1.00 0.00 O ATOM 1341 OE2 GLU B 87 3.480 -15.396 -1.670 1.00 0.00 O ATOM 0 H GLU B 87 4.012 -10.752 0.153 1.00 0.00 H new ATOM 0 HA GLU B 87 2.148 -11.896 2.101 1.00 0.00 H new ATOM 0 HB2 GLU B 87 2.377 -14.212 0.880 1.00 0.00 H new ATOM 0 HB3 GLU B 87 1.159 -13.091 0.304 1.00 0.00 H new ATOM 0 HG2 GLU B 87 2.528 -12.378 -1.551 1.00 0.00 H new ATOM 0 HG3 GLU B 87 3.978 -13.075 -0.856 1.00 0.00 H new ATOM 1348 N GLY B 88 4.764 -11.811 2.701 1.00 0.00 N ATOM 1349 CA GLY B 88 6.045 -12.203 3.350 1.00 0.00 C ATOM 1350 C GLY B 88 6.444 -11.085 4.299 1.00 0.00 C ATOM 1351 O GLY B 88 5.889 -10.934 5.369 1.00 0.00 O ATOM 0 H GLY B 88 4.429 -10.879 2.944 1.00 0.00 H new ATOM 0 HA2 GLY B 88 5.927 -13.141 3.892 1.00 0.00 H new ATOM 0 HA3 GLY B 88 6.820 -12.363 2.600 1.00 0.00 H new ATOM 1355 N ARG B 89 7.370 -10.276 3.891 1.00 0.00 N ATOM 1356 CA ARG B 89 7.786 -9.124 4.730 1.00 0.00 C ATOM 1357 C ARG B 89 7.352 -7.861 4.000 1.00 0.00 C ATOM 1358 O ARG B 89 7.720 -7.632 2.864 1.00 0.00 O ATOM 1359 CB ARG B 89 9.297 -9.133 4.929 1.00 0.00 C ATOM 1360 CG ARG B 89 9.674 -10.239 5.916 1.00 0.00 C ATOM 1361 CD ARG B 89 11.123 -10.040 6.378 1.00 0.00 C ATOM 1362 NE ARG B 89 11.848 -11.351 6.372 1.00 0.00 N ATOM 1363 CZ ARG B 89 11.293 -12.429 6.856 1.00 0.00 C ATOM 1364 NH1 ARG B 89 10.124 -12.369 7.435 1.00 0.00 N ATOM 1365 NH2 ARG B 89 11.921 -13.572 6.782 1.00 0.00 N ATOM 0 H ARG B 89 7.864 -10.362 3.003 1.00 0.00 H new ATOM 0 HA ARG B 89 7.326 -9.176 5.717 1.00 0.00 H new ATOM 0 HB2 ARG B 89 9.799 -9.295 3.975 1.00 0.00 H new ATOM 0 HB3 ARG B 89 9.631 -8.166 5.305 1.00 0.00 H new ATOM 0 HG2 ARG B 89 9.002 -10.220 6.774 1.00 0.00 H new ATOM 0 HG3 ARG B 89 9.562 -11.215 5.445 1.00 0.00 H new ATOM 0 HD2 ARG B 89 11.629 -9.332 5.721 1.00 0.00 H new ATOM 0 HD3 ARG B 89 11.138 -9.611 7.380 1.00 0.00 H new ATOM 0 HE ARG B 89 12.790 -11.402 5.984 1.00 0.00 H new ATOM 0 HH11 ARG B 89 9.638 -11.475 7.512 1.00 0.00 H new ATOM 0 HH12 ARG B 89 9.697 -13.216 7.811 1.00 0.00 H new ATOM 0 HH21 ARG B 89 12.842 -13.620 6.347 1.00 0.00 H new ATOM 0 HH22 ARG B 89 11.490 -14.416 7.159 1.00 0.00 H new ATOM 1379 N VAL B 90 6.534 -7.071 4.620 1.00 0.00 N ATOM 1380 CA VAL B 90 6.018 -5.845 3.943 1.00 0.00 C ATOM 1381 C VAL B 90 6.801 -4.609 4.372 1.00 0.00 C ATOM 1382 O VAL B 90 7.410 -4.571 5.423 1.00 0.00 O ATOM 1383 CB VAL B 90 4.548 -5.652 4.325 1.00 0.00 C ATOM 1384 CG1 VAL B 90 3.959 -4.459 3.561 1.00 0.00 C ATOM 1385 CG2 VAL B 90 3.757 -6.916 3.972 1.00 0.00 C ATOM 0 H VAL B 90 6.195 -7.216 5.571 1.00 0.00 H new ATOM 0 HA VAL B 90 6.128 -5.971 2.866 1.00 0.00 H new ATOM 0 HB VAL B 90 4.482 -5.462 5.396 1.00 0.00 H new ATOM 0 HG11 VAL B 90 2.913 -4.329 3.839 1.00 0.00 H new ATOM 0 HG12 VAL B 90 4.516 -3.556 3.811 1.00 0.00 H new ATOM 0 HG13 VAL B 90 4.029 -4.643 2.489 1.00 0.00 H new ATOM 0 HG21 VAL B 90 2.711 -6.778 4.244 1.00 0.00 H new ATOM 0 HG22 VAL B 90 3.832 -7.105 2.901 1.00 0.00 H new ATOM 0 HG23 VAL B 90 4.165 -7.766 4.519 1.00 0.00 H new ATOM 1395 N VAL B 91 6.752 -3.581 3.566 1.00 0.00 N ATOM 1396 CA VAL B 91 7.443 -2.312 3.908 1.00 0.00 C ATOM 1397 C VAL B 91 6.391 -1.215 3.911 1.00 0.00 C ATOM 1398 O VAL B 91 5.787 -0.926 2.904 1.00 0.00 O ATOM 1399 CB VAL B 91 8.527 -1.996 2.874 1.00 0.00 C ATOM 1400 CG1 VAL B 91 8.846 -0.497 2.903 1.00 0.00 C ATOM 1401 CG2 VAL B 91 9.791 -2.786 3.214 1.00 0.00 C ATOM 0 H VAL B 91 6.255 -3.571 2.675 1.00 0.00 H new ATOM 0 HA VAL B 91 7.927 -2.391 4.881 1.00 0.00 H new ATOM 0 HB VAL B 91 8.173 -2.272 1.881 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.618 -0.275 2.166 1.00 0.00 H new ATOM 0 HG12 VAL B 91 7.946 0.071 2.668 1.00 0.00 H new ATOM 0 HG13 VAL B 91 9.201 -0.220 3.895 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.567 -2.565 2.481 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.140 -2.504 4.207 1.00 0.00 H new ATOM 0 HG23 VAL B 91 9.569 -3.853 3.197 1.00 0.00 H new ATOM 1411 N ASN B 92 6.148 -0.614 5.037 1.00 0.00 N ATOM 1412 CA ASN B 92 5.112 0.449 5.086 1.00 0.00 C ATOM 1413 C ASN B 92 5.753 1.801 4.788 1.00 0.00 C ATOM 1414 O ASN B 92 6.453 2.366 5.605 1.00 0.00 O ATOM 1415 CB ASN B 92 4.473 0.472 6.469 1.00 0.00 C ATOM 1416 CG ASN B 92 3.657 -0.805 6.679 1.00 0.00 C ATOM 1417 OD1 ASN B 92 2.735 -0.827 7.469 1.00 0.00 O ATOM 1418 ND2 ASN B 92 3.961 -1.876 5.999 1.00 0.00 N ATOM 0 H ASN B 92 6.618 -0.810 5.921 1.00 0.00 H new ATOM 0 HA ASN B 92 4.345 0.245 4.339 1.00 0.00 H new ATOM 0 HB2 ASN B 92 5.244 0.553 7.235 1.00 0.00 H new ATOM 0 HB3 ASN B 92 3.830 1.347 6.569 1.00 0.00 H new ATOM 0 HD21 ASN B 92 3.424 -2.733 6.131 1.00 0.00 H new ATOM 0 HD22 ASN B 92 4.736 -1.856 5.336 1.00 0.00 H new ATOM 1425 N ALA B 93 5.514 2.320 3.618 1.00 0.00 N ATOM 1426 CA ALA B 93 6.103 3.638 3.248 1.00 0.00 C ATOM 1427 C ALA B 93 5.099 4.397 2.383 1.00 0.00 C ATOM 1428 O ALA B 93 4.207 3.813 1.804 1.00 0.00 O ATOM 1429 CB ALA B 93 7.391 3.412 2.456 1.00 0.00 C ATOM 0 H ALA B 93 4.934 1.888 2.899 1.00 0.00 H new ATOM 0 HA ALA B 93 6.329 4.213 4.146 1.00 0.00 H new ATOM 0 HB1 ALA B 93 7.824 4.374 2.184 1.00 0.00 H new ATOM 0 HB2 ALA B 93 8.101 2.854 3.067 1.00 0.00 H new ATOM 0 HB3 ALA B 93 7.167 2.846 1.552 1.00 0.00 H new ATOM 1435 N MET B 94 5.230 5.691 2.294 1.00 0.00 N ATOM 1436 CA MET B 94 4.270 6.468 1.467 1.00 0.00 C ATOM 1437 C MET B 94 2.874 6.212 2.004 1.00 0.00 C ATOM 1438 O MET B 94 1.879 6.443 1.345 1.00 0.00 O ATOM 1439 CB MET B 94 4.342 6.004 0.011 1.00 0.00 C ATOM 1440 CG MET B 94 5.801 5.844 -0.427 1.00 0.00 C ATOM 1441 SD MET B 94 6.513 7.475 -0.742 1.00 0.00 S ATOM 1442 CE MET B 94 8.175 7.142 -0.109 1.00 0.00 C ATOM 0 H MET B 94 5.956 6.240 2.755 1.00 0.00 H new ATOM 0 HA MET B 94 4.512 7.530 1.511 1.00 0.00 H new ATOM 0 HB2 MET B 94 3.816 5.056 -0.102 1.00 0.00 H new ATOM 0 HB3 MET B 94 3.840 6.726 -0.633 1.00 0.00 H new ATOM 0 HG2 MET B 94 6.371 5.329 0.347 1.00 0.00 H new ATOM 0 HG3 MET B 94 5.858 5.230 -1.326 1.00 0.00 H new ATOM 0 HE1 MET B 94 8.672 8.084 0.122 1.00 0.00 H new ATOM 0 HE2 MET B 94 8.106 6.537 0.795 1.00 0.00 H new ATOM 0 HE3 MET B 94 8.750 6.604 -0.862 1.00 0.00 H new ATOM 1452 N GLY B 95 2.806 5.710 3.194 1.00 0.00 N ATOM 1453 CA GLY B 95 1.484 5.400 3.799 1.00 0.00 C ATOM 1454 C GLY B 95 0.895 4.205 3.058 1.00 0.00 C ATOM 1455 O GLY B 95 -0.306 4.019 2.997 1.00 0.00 O ATOM 0 H GLY B 95 3.612 5.498 3.782 1.00 0.00 H new ATOM 0 HA2 GLY B 95 1.594 5.174 4.860 1.00 0.00 H new ATOM 0 HA3 GLY B 95 0.819 6.261 3.724 1.00 0.00 H new ATOM 1459 N LYS B 96 1.748 3.404 2.482 1.00 0.00 N ATOM 1460 CA LYS B 96 1.286 2.213 1.714 1.00 0.00 C ATOM 1461 C LYS B 96 2.054 0.975 2.168 1.00 0.00 C ATOM 1462 O LYS B 96 2.549 0.903 3.274 1.00 0.00 O ATOM 1463 CB LYS B 96 1.561 2.456 0.224 1.00 0.00 C ATOM 1464 CG LYS B 96 0.741 3.658 -0.276 1.00 0.00 C ATOM 1465 CD LYS B 96 -0.078 3.252 -1.507 1.00 0.00 C ATOM 1466 CE LYS B 96 -0.702 4.495 -2.140 1.00 0.00 C ATOM 1467 NZ LYS B 96 -1.738 5.051 -1.226 1.00 0.00 N ATOM 0 H LYS B 96 2.760 3.526 2.511 1.00 0.00 H new ATOM 0 HA LYS B 96 0.221 2.056 1.884 1.00 0.00 H new ATOM 0 HB2 LYS B 96 2.624 2.641 0.068 1.00 0.00 H new ATOM 0 HB3 LYS B 96 1.304 1.566 -0.351 1.00 0.00 H new ATOM 0 HG2 LYS B 96 0.077 4.011 0.513 1.00 0.00 H new ATOM 0 HG3 LYS B 96 1.406 4.485 -0.527 1.00 0.00 H new ATOM 0 HD2 LYS B 96 0.561 2.745 -2.230 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -0.858 2.547 -1.221 1.00 0.00 H new ATOM 0 HE2 LYS B 96 0.067 5.243 -2.333 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -1.148 4.241 -3.102 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -2.267 5.800 -1.716 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -2.392 4.294 -0.942 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -1.279 5.447 -0.381 1.00 0.00 H new ATOM 1481 N GLN B 97 2.154 0.008 1.305 1.00 0.00 N ATOM 1482 CA GLN B 97 2.882 -1.247 1.620 1.00 0.00 C ATOM 1483 C GLN B 97 3.743 -1.570 0.398 1.00 0.00 C ATOM 1484 O GLN B 97 3.345 -1.307 -0.720 1.00 0.00 O ATOM 1485 CB GLN B 97 1.858 -2.355 1.860 1.00 0.00 C ATOM 1486 CG GLN B 97 1.269 -2.197 3.277 1.00 0.00 C ATOM 1487 CD GLN B 97 -0.226 -2.546 3.287 1.00 0.00 C ATOM 1488 OE1 GLN B 97 -0.877 -2.436 4.305 1.00 0.00 O ATOM 1489 NE2 GLN B 97 -0.801 -2.965 2.195 1.00 0.00 N ATOM 0 H GLN B 97 1.750 0.037 0.369 1.00 0.00 H new ATOM 0 HA GLN B 97 3.505 -1.152 2.510 1.00 0.00 H new ATOM 0 HB2 GLN B 97 1.065 -2.302 1.115 1.00 0.00 H new ATOM 0 HB3 GLN B 97 2.329 -3.332 1.755 1.00 0.00 H new ATOM 0 HG2 GLN B 97 1.803 -2.845 3.972 1.00 0.00 H new ATOM 0 HG3 GLN B 97 1.411 -1.173 3.623 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -0.258 -3.059 1.337 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -1.794 -3.199 2.199 1.00 0.00 H new ATOM 1498 N TRP B 98 4.927 -2.093 0.575 1.00 0.00 N ATOM 1499 CA TRP B 98 5.780 -2.363 -0.617 1.00 0.00 C ATOM 1500 C TRP B 98 6.546 -3.676 -0.444 1.00 0.00 C ATOM 1501 O TRP B 98 7.052 -3.966 0.619 1.00 0.00 O ATOM 1502 CB TRP B 98 6.780 -1.212 -0.759 1.00 0.00 C ATOM 1503 CG TRP B 98 6.035 0.083 -0.823 1.00 0.00 C ATOM 1504 CD1 TRP B 98 5.593 0.786 0.248 1.00 0.00 C ATOM 1505 CD2 TRP B 98 5.636 0.835 -1.996 1.00 0.00 C ATOM 1506 NE1 TRP B 98 4.944 1.923 -0.204 1.00 0.00 N ATOM 1507 CE2 TRP B 98 4.944 1.996 -1.581 1.00 0.00 C ATOM 1508 CE3 TRP B 98 5.806 0.620 -3.369 1.00 0.00 C ATOM 1509 CZ2 TRP B 98 4.437 2.910 -2.505 1.00 0.00 C ATOM 1510 CZ3 TRP B 98 5.303 1.534 -4.301 1.00 0.00 C ATOM 1511 CH2 TRP B 98 4.617 2.678 -3.871 1.00 0.00 C ATOM 0 H TRP B 98 5.334 -2.341 1.477 1.00 0.00 H new ATOM 0 HA TRP B 98 5.151 -2.444 -1.504 1.00 0.00 H new ATOM 0 HB2 TRP B 98 7.469 -1.207 0.085 1.00 0.00 H new ATOM 0 HB3 TRP B 98 7.380 -1.345 -1.659 1.00 0.00 H new ATOM 0 HD1 TRP B 98 5.725 0.506 1.283 1.00 0.00 H new ATOM 0 HE1 TRP B 98 4.518 2.621 0.407 1.00 0.00 H new ATOM 0 HE3 TRP B 98 6.330 -0.260 -3.712 1.00 0.00 H new ATOM 0 HZ2 TRP B 98 3.910 3.790 -2.167 1.00 0.00 H new ATOM 0 HZ3 TRP B 98 5.444 1.357 -5.357 1.00 0.00 H new ATOM 0 HH2 TRP B 98 4.228 3.379 -4.594 1.00 0.00 H new ATOM 1522 N HIS B 99 6.668 -4.459 -1.488 1.00 0.00 N ATOM 1523 CA HIS B 99 7.445 -5.723 -1.347 1.00 0.00 C ATOM 1524 C HIS B 99 8.835 -5.334 -0.854 1.00 0.00 C ATOM 1525 O HIS B 99 9.458 -4.438 -1.389 1.00 0.00 O ATOM 1526 CB HIS B 99 7.587 -6.436 -2.694 1.00 0.00 C ATOM 1527 CG HIS B 99 6.351 -7.232 -3.006 1.00 0.00 C ATOM 1528 ND1 HIS B 99 5.545 -6.941 -4.093 1.00 0.00 N ATOM 1529 CD2 HIS B 99 5.782 -8.322 -2.398 1.00 0.00 C ATOM 1530 CE1 HIS B 99 4.542 -7.837 -4.107 1.00 0.00 C ATOM 1531 NE2 HIS B 99 4.639 -8.703 -3.096 1.00 0.00 N ATOM 0 H HIS B 99 6.272 -4.281 -2.411 1.00 0.00 H new ATOM 0 HA HIS B 99 6.935 -6.397 -0.659 1.00 0.00 H new ATOM 0 HB2 HIS B 99 7.763 -5.704 -3.482 1.00 0.00 H new ATOM 0 HB3 HIS B 99 8.455 -7.095 -2.672 1.00 0.00 H new ATOM 0 HD2 HIS B 99 6.162 -8.810 -1.513 1.00 0.00 H new ATOM 0 HE1 HIS B 99 3.754 -7.854 -4.846 1.00 0.00 H new ATOM 0 HE2 HIS B 99 4.011 -9.477 -2.881 1.00 0.00 H new ATOM 1539 N VAL B 100 9.333 -5.986 0.146 1.00 0.00 N ATOM 1540 CA VAL B 100 10.684 -5.628 0.642 1.00 0.00 C ATOM 1541 C VAL B 100 11.651 -5.663 -0.535 1.00 0.00 C ATOM 1542 O VAL B 100 12.761 -5.174 -0.464 1.00 0.00 O ATOM 1543 CB VAL B 100 11.107 -6.648 1.694 1.00 0.00 C ATOM 1544 CG1 VAL B 100 12.627 -6.627 1.854 1.00 0.00 C ATOM 1545 CG2 VAL B 100 10.441 -6.293 3.023 1.00 0.00 C ATOM 0 H VAL B 100 8.869 -6.748 0.641 1.00 0.00 H new ATOM 0 HA VAL B 100 10.683 -4.633 1.087 1.00 0.00 H new ATOM 0 HB VAL B 100 10.800 -7.647 1.383 1.00 0.00 H new ATOM 0 HG11 VAL B 100 12.924 -7.357 2.607 1.00 0.00 H new ATOM 0 HG12 VAL B 100 13.097 -6.875 0.902 1.00 0.00 H new ATOM 0 HG13 VAL B 100 12.946 -5.633 2.167 1.00 0.00 H new ATOM 0 HG21 VAL B 100 10.737 -7.016 3.783 1.00 0.00 H new ATOM 0 HG22 VAL B 100 10.753 -5.295 3.331 1.00 0.00 H new ATOM 0 HG23 VAL B 100 9.358 -6.314 2.904 1.00 0.00 H new ATOM 1555 N GLU B 101 11.232 -6.256 -1.613 1.00 0.00 N ATOM 1556 CA GLU B 101 12.110 -6.357 -2.808 1.00 0.00 C ATOM 1557 C GLU B 101 11.809 -5.223 -3.797 1.00 0.00 C ATOM 1558 O GLU B 101 12.662 -4.830 -4.569 1.00 0.00 O ATOM 1559 CB GLU B 101 11.863 -7.708 -3.487 1.00 0.00 C ATOM 1560 CG GLU B 101 12.572 -7.757 -4.842 1.00 0.00 C ATOM 1561 CD GLU B 101 14.048 -7.390 -4.665 1.00 0.00 C ATOM 1562 OE1 GLU B 101 14.746 -8.134 -3.994 1.00 0.00 O ATOM 1563 OE2 GLU B 101 14.452 -6.371 -5.199 1.00 0.00 O ATOM 0 H GLU B 101 10.310 -6.679 -1.719 1.00 0.00 H new ATOM 0 HA GLU B 101 13.151 -6.275 -2.496 1.00 0.00 H new ATOM 0 HB2 GLU B 101 12.225 -8.515 -2.850 1.00 0.00 H new ATOM 0 HB3 GLU B 101 10.793 -7.865 -3.623 1.00 0.00 H new ATOM 0 HG2 GLU B 101 12.484 -8.754 -5.273 1.00 0.00 H new ATOM 0 HG3 GLU B 101 12.096 -7.066 -5.538 1.00 0.00 H new ATOM 1570 N HIS B 102 10.607 -4.703 -3.800 1.00 0.00 N ATOM 1571 CA HIS B 102 10.274 -3.610 -4.768 1.00 0.00 C ATOM 1572 C HIS B 102 10.378 -2.241 -4.097 1.00 0.00 C ATOM 1573 O HIS B 102 10.294 -1.223 -4.755 1.00 0.00 O ATOM 1574 CB HIS B 102 8.855 -3.810 -5.311 1.00 0.00 C ATOM 1575 CG HIS B 102 8.794 -5.102 -6.081 1.00 0.00 C ATOM 1576 ND1 HIS B 102 7.632 -5.861 -6.198 1.00 0.00 N ATOM 1577 CD2 HIS B 102 9.754 -5.784 -6.791 1.00 0.00 C ATOM 1578 CE1 HIS B 102 7.929 -6.937 -6.951 1.00 0.00 C ATOM 1579 NE2 HIS B 102 9.205 -6.940 -7.336 1.00 0.00 N ATOM 0 H HIS B 102 9.847 -4.984 -3.180 1.00 0.00 H new ATOM 0 HA HIS B 102 10.989 -3.650 -5.590 1.00 0.00 H new ATOM 0 HB2 HIS B 102 8.138 -3.829 -4.490 1.00 0.00 H new ATOM 0 HB3 HIS B 102 8.579 -2.976 -5.956 1.00 0.00 H new ATOM 0 HD2 HIS B 102 10.780 -5.469 -6.908 1.00 0.00 H new ATOM 0 HE1 HIS B 102 7.218 -7.706 -7.212 1.00 0.00 H new ATOM 0 HE2 HIS B 102 9.678 -7.640 -7.908 1.00 0.00 H new ATOM 1587 N PHE B 103 10.596 -2.186 -2.814 1.00 0.00 N ATOM 1588 CA PHE B 103 10.740 -0.856 -2.173 1.00 0.00 C ATOM 1589 C PHE B 103 12.158 -0.387 -2.438 1.00 0.00 C ATOM 1590 O PHE B 103 13.109 -0.910 -1.894 1.00 0.00 O ATOM 1591 CB PHE B 103 10.488 -0.929 -0.666 1.00 0.00 C ATOM 1592 CG PHE B 103 10.307 0.480 -0.144 1.00 0.00 C ATOM 1593 CD1 PHE B 103 9.259 1.277 -0.624 1.00 0.00 C ATOM 1594 CD2 PHE B 103 11.197 0.999 0.806 1.00 0.00 C ATOM 1595 CE1 PHE B 103 9.102 2.586 -0.157 1.00 0.00 C ATOM 1596 CE2 PHE B 103 11.036 2.310 1.273 1.00 0.00 C ATOM 1597 CZ PHE B 103 9.989 3.102 0.791 1.00 0.00 C ATOM 0 H PHE B 103 10.679 -2.990 -2.192 1.00 0.00 H new ATOM 0 HA PHE B 103 10.006 -0.164 -2.586 1.00 0.00 H new ATOM 0 HB2 PHE B 103 9.601 -1.527 -0.458 1.00 0.00 H new ATOM 0 HB3 PHE B 103 11.325 -1.415 -0.164 1.00 0.00 H new ATOM 0 HD1 PHE B 103 8.571 0.880 -1.356 1.00 0.00 H new ATOM 0 HD2 PHE B 103 12.007 0.389 1.178 1.00 0.00 H new ATOM 0 HE1 PHE B 103 8.294 3.198 -0.530 1.00 0.00 H new ATOM 0 HE2 PHE B 103 11.721 2.709 2.006 1.00 0.00 H new ATOM 0 HZ PHE B 103 9.866 4.113 1.152 1.00 0.00 H new ATOM 1607 N VAL B 104 12.312 0.558 -3.316 1.00 0.00 N ATOM 1608 CA VAL B 104 13.675 1.026 -3.674 1.00 0.00 C ATOM 1609 C VAL B 104 13.746 2.546 -3.686 1.00 0.00 C ATOM 1610 O VAL B 104 12.761 3.242 -3.538 1.00 0.00 O ATOM 1611 CB VAL B 104 14.001 0.537 -5.085 1.00 0.00 C ATOM 1612 CG1 VAL B 104 13.916 -0.996 -5.160 1.00 0.00 C ATOM 1613 CG2 VAL B 104 13.005 1.159 -6.069 1.00 0.00 C ATOM 0 H VAL B 104 11.550 1.029 -3.804 1.00 0.00 H new ATOM 0 HA VAL B 104 14.378 0.637 -2.937 1.00 0.00 H new ATOM 0 HB VAL B 104 15.017 0.837 -5.342 1.00 0.00 H new ATOM 0 HG11 VAL B 104 14.151 -1.324 -6.172 1.00 0.00 H new ATOM 0 HG12 VAL B 104 14.629 -1.435 -4.461 1.00 0.00 H new ATOM 0 HG13 VAL B 104 12.908 -1.318 -4.900 1.00 0.00 H new ATOM 0 HG21 VAL B 104 13.229 0.816 -7.079 1.00 0.00 H new ATOM 0 HG22 VAL B 104 11.992 0.859 -5.800 1.00 0.00 H new ATOM 0 HG23 VAL B 104 13.084 2.245 -6.029 1.00 0.00 H new ATOM 1623 N CYS B 105 14.925 3.047 -3.896 1.00 0.00 N ATOM 1624 CA CYS B 105 15.127 4.513 -3.966 1.00 0.00 C ATOM 1625 C CYS B 105 14.342 5.075 -5.147 1.00 0.00 C ATOM 1626 O CYS B 105 14.152 4.416 -6.152 1.00 0.00 O ATOM 1627 CB CYS B 105 16.616 4.777 -4.166 1.00 0.00 C ATOM 1628 SG CYS B 105 16.875 6.428 -4.860 1.00 0.00 S ATOM 0 H CYS B 105 15.771 2.492 -4.024 1.00 0.00 H new ATOM 0 HA CYS B 105 14.780 4.991 -3.050 1.00 0.00 H new ATOM 0 HB2 CYS B 105 17.139 4.690 -3.213 1.00 0.00 H new ATOM 0 HB3 CYS B 105 17.039 4.025 -4.832 1.00 0.00 H new ATOM 1633 N ALA B 106 13.878 6.286 -5.040 1.00 0.00 N ATOM 1634 CA ALA B 106 13.099 6.889 -6.155 1.00 0.00 C ATOM 1635 C ALA B 106 14.043 7.657 -7.087 1.00 0.00 C ATOM 1636 O ALA B 106 13.656 8.613 -7.728 1.00 0.00 O ATOM 1637 CB ALA B 106 12.061 7.840 -5.562 1.00 0.00 C ATOM 0 H ALA B 106 14.005 6.887 -4.226 1.00 0.00 H new ATOM 0 HA ALA B 106 12.600 6.109 -6.730 1.00 0.00 H new ATOM 0 HB1 ALA B 106 11.480 8.292 -6.366 1.00 0.00 H new ATOM 0 HB2 ALA B 106 11.395 7.285 -4.901 1.00 0.00 H new ATOM 0 HB3 ALA B 106 12.566 8.622 -4.996 1.00 0.00 H new ATOM 1643 N LYS B 107 15.282 7.240 -7.166 1.00 0.00 N ATOM 1644 CA LYS B 107 16.262 7.939 -8.060 1.00 0.00 C ATOM 1645 C LYS B 107 17.137 6.913 -8.783 1.00 0.00 C ATOM 1646 O LYS B 107 17.585 7.141 -9.891 1.00 0.00 O ATOM 1647 CB LYS B 107 17.168 8.845 -7.218 1.00 0.00 C ATOM 1648 CG LYS B 107 18.120 9.630 -8.130 1.00 0.00 C ATOM 1649 CD LYS B 107 17.315 10.509 -9.097 1.00 0.00 C ATOM 1650 CE LYS B 107 18.116 11.767 -9.443 1.00 0.00 C ATOM 1651 NZ LYS B 107 17.958 12.771 -8.350 1.00 0.00 N ATOM 0 H LYS B 107 15.660 6.445 -6.650 1.00 0.00 H new ATOM 0 HA LYS B 107 15.710 8.531 -8.790 1.00 0.00 H new ATOM 0 HB2 LYS B 107 16.562 9.535 -6.631 1.00 0.00 H new ATOM 0 HB3 LYS B 107 17.741 8.244 -6.511 1.00 0.00 H new ATOM 0 HG2 LYS B 107 18.784 10.251 -7.528 1.00 0.00 H new ATOM 0 HG3 LYS B 107 18.750 8.940 -8.691 1.00 0.00 H new ATOM 0 HD2 LYS B 107 17.086 9.951 -10.005 1.00 0.00 H new ATOM 0 HD3 LYS B 107 16.363 10.786 -8.644 1.00 0.00 H new ATOM 0 HE2 LYS B 107 19.169 11.517 -9.573 1.00 0.00 H new ATOM 0 HE3 LYS B 107 17.769 12.184 -10.388 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 18.083 13.728 -8.737 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 17.008 12.686 -7.935 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 18.673 12.599 -7.615 1.00 0.00 H new ATOM 1665 N CYS B 108 17.405 5.796 -8.160 1.00 0.00 N ATOM 1666 CA CYS B 108 18.278 4.767 -8.801 1.00 0.00 C ATOM 1667 C CYS B 108 17.597 3.401 -8.762 1.00 0.00 C ATOM 1668 O CYS B 108 17.987 2.485 -9.455 1.00 0.00 O ATOM 1669 CB CYS B 108 19.589 4.693 -8.028 1.00 0.00 C ATOM 1670 SG CYS B 108 19.249 4.117 -6.351 1.00 0.00 S ATOM 0 H CYS B 108 17.057 5.551 -7.233 1.00 0.00 H new ATOM 0 HA CYS B 108 18.462 5.042 -9.840 1.00 0.00 H new ATOM 0 HB2 CYS B 108 20.282 4.015 -8.526 1.00 0.00 H new ATOM 0 HB3 CYS B 108 20.066 5.673 -8.000 1.00 0.00 H new ATOM 1675 N GLU B 109 16.583 3.253 -7.953 1.00 0.00 N ATOM 1676 CA GLU B 109 15.874 1.952 -7.865 1.00 0.00 C ATOM 1677 C GLU B 109 16.748 0.926 -7.148 1.00 0.00 C ATOM 1678 O GLU B 109 16.884 -0.199 -7.585 1.00 0.00 O ATOM 1679 CB GLU B 109 15.511 1.442 -9.265 1.00 0.00 C ATOM 1680 CG GLU B 109 15.046 2.612 -10.143 1.00 0.00 C ATOM 1681 CD GLU B 109 14.070 2.099 -11.206 1.00 0.00 C ATOM 1682 OE1 GLU B 109 12.907 1.926 -10.884 1.00 0.00 O ATOM 1683 OE2 GLU B 109 14.505 1.889 -12.327 1.00 0.00 O ATOM 0 H GLU B 109 16.215 3.986 -7.346 1.00 0.00 H new ATOM 0 HA GLU B 109 14.955 2.097 -7.297 1.00 0.00 H new ATOM 0 HB2 GLU B 109 16.374 0.956 -9.719 1.00 0.00 H new ATOM 0 HB3 GLU B 109 14.723 0.692 -9.195 1.00 0.00 H new ATOM 0 HG2 GLU B 109 14.564 3.372 -9.528 1.00 0.00 H new ATOM 0 HG3 GLU B 109 15.904 3.085 -10.620 1.00 0.00 H new ATOM 1690 N LYS B 110 17.315 1.298 -6.029 1.00 0.00 N ATOM 1691 CA LYS B 110 18.150 0.334 -5.255 1.00 0.00 C ATOM 1692 C LYS B 110 17.296 -0.180 -4.084 1.00 0.00 C ATOM 1693 O LYS B 110 16.991 0.573 -3.180 1.00 0.00 O ATOM 1694 CB LYS B 110 19.397 1.042 -4.714 1.00 0.00 C ATOM 1695 CG LYS B 110 20.452 -0.002 -4.319 1.00 0.00 C ATOM 1696 CD LYS B 110 20.343 -0.315 -2.825 1.00 0.00 C ATOM 1697 CE LYS B 110 21.415 -1.335 -2.437 1.00 0.00 C ATOM 1698 NZ LYS B 110 22.746 -0.857 -2.902 1.00 0.00 N ATOM 0 H LYS B 110 17.235 2.228 -5.619 1.00 0.00 H new ATOM 0 HA LYS B 110 18.471 -0.491 -5.890 1.00 0.00 H new ATOM 0 HB2 LYS B 110 19.802 1.715 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS B 110 19.135 1.653 -3.851 1.00 0.00 H new ATOM 0 HG2 LYS B 110 20.311 -0.913 -4.901 1.00 0.00 H new ATOM 0 HG3 LYS B 110 21.450 0.372 -4.549 1.00 0.00 H new ATOM 0 HD2 LYS B 110 20.466 0.597 -2.242 1.00 0.00 H new ATOM 0 HD3 LYS B 110 19.352 -0.708 -2.596 1.00 0.00 H new ATOM 0 HE2 LYS B 110 21.424 -1.475 -1.356 1.00 0.00 H new ATOM 0 HE3 LYS B 110 21.189 -2.304 -2.882 1.00 0.00 H new ATOM 0 HZ1 LYS B 110 23.485 -1.211 -2.261 1.00 0.00 H new ATOM 0 HZ2 LYS B 110 22.924 -1.209 -3.864 1.00 0.00 H new ATOM 0 HZ3 LYS B 110 22.760 0.183 -2.906 1.00 0.00 H new ATOM 1712 N PRO B 111 16.896 -1.431 -4.141 1.00 0.00 N ATOM 1713 CA PRO B 111 16.031 -2.016 -3.101 1.00 0.00 C ATOM 1714 C PRO B 111 16.760 -2.178 -1.774 1.00 0.00 C ATOM 1715 O PRO B 111 17.893 -2.611 -1.710 1.00 0.00 O ATOM 1716 CB PRO B 111 15.638 -3.393 -3.644 1.00 0.00 C ATOM 1717 CG PRO B 111 16.465 -3.643 -4.923 1.00 0.00 C ATOM 1718 CD PRO B 111 17.257 -2.360 -5.228 1.00 0.00 C ATOM 0 HA PRO B 111 15.175 -1.372 -2.901 1.00 0.00 H new ATOM 0 HB2 PRO B 111 15.835 -4.168 -2.903 1.00 0.00 H new ATOM 0 HB3 PRO B 111 14.571 -3.427 -3.865 1.00 0.00 H new ATOM 0 HG2 PRO B 111 17.142 -4.486 -4.782 1.00 0.00 H new ATOM 0 HG3 PRO B 111 15.811 -3.896 -5.758 1.00 0.00 H new ATOM 0 HD2 PRO B 111 18.330 -2.551 -5.245 1.00 0.00 H new ATOM 0 HD3 PRO B 111 16.990 -1.952 -6.203 1.00 0.00 H new ATOM 1726 N PHE B 112 16.083 -1.861 -0.711 1.00 0.00 N ATOM 1727 CA PHE B 112 16.690 -2.022 0.644 1.00 0.00 C ATOM 1728 C PHE B 112 16.255 -3.366 1.226 1.00 0.00 C ATOM 1729 O PHE B 112 15.676 -3.428 2.293 1.00 0.00 O ATOM 1730 CB PHE B 112 16.967 -0.743 2.342 1.00 0.00 C ATOM 1731 CG PHE B 112 16.025 0.362 0.794 1.00 0.00 C ATOM 1732 CD1 PHE B 112 14.841 0.568 0.083 1.00 0.00 C ATOM 1733 CD2 PHE B 112 17.025 1.340 0.793 1.00 0.00 C ATOM 1734 CE1 PHE B 112 14.656 1.755 -0.637 1.00 0.00 C ATOM 1735 CE2 PHE B 112 16.840 2.522 0.075 1.00 0.00 C ATOM 1736 CZ PHE B 112 15.656 2.735 -0.638 1.00 0.00 C ATOM 0 H PHE B 112 15.131 -1.495 -0.717 1.00 0.00 H new ATOM 0 HA PHE B 112 17.638 -1.726 0.196 1.00 0.00 H new ATOM 0 HB2 PHE B 112 16.410 -0.951 3.256 1.00 0.00 H new ATOM 0 HB3 PHE B 112 17.980 -0.474 2.640 1.00 0.00 H new ATOM 0 HD1 PHE B 112 14.069 -0.187 0.088 1.00 0.00 H new ATOM 0 HD2 PHE B 112 17.938 1.181 1.347 1.00 0.00 H new ATOM 0 HE1 PHE B 112 13.743 1.914 -1.191 1.00 0.00 H new ATOM 0 HE2 PHE B 112 17.614 3.275 0.070 1.00 0.00 H new ATOM 0 HZ PHE B 112 15.513 3.653 -1.188 1.00 0.00 H new ATOM 1745 N LEU B 113 16.523 -4.442 0.541 1.00 0.00 N ATOM 1746 CA LEU B 113 16.117 -5.780 1.065 1.00 0.00 C ATOM 1747 C LEU B 113 16.340 -5.813 2.576 1.00 0.00 C ATOM 1748 O LEU B 113 15.439 -6.080 3.347 1.00 0.00 O ATOM 1749 CB LEU B 113 16.977 -6.863 0.405 1.00 0.00 C ATOM 1750 CG LEU B 113 16.326 -7.299 -0.914 1.00 0.00 C ATOM 1751 CD1 LEU B 113 16.183 -6.087 -1.814 1.00 0.00 C ATOM 1752 CD2 LEU B 113 17.201 -8.341 -1.608 1.00 0.00 C ATOM 0 H LEU B 113 17.005 -4.455 -0.358 1.00 0.00 H new ATOM 0 HA LEU B 113 15.065 -5.960 0.842 1.00 0.00 H new ATOM 0 HB2 LEU B 113 17.981 -6.482 0.219 1.00 0.00 H new ATOM 0 HB3 LEU B 113 17.079 -7.718 1.073 1.00 0.00 H new ATOM 0 HG LEU B 113 15.348 -7.734 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU B 113 15.721 -6.385 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU B 113 15.558 -5.341 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU B 113 17.167 -5.662 -2.011 1.00 0.00 H new ATOM 0 HD21 LEU B 113 16.732 -8.645 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU B 113 18.181 -7.912 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU B 113 17.315 -9.210 -0.960 1.00 0.00 H new ATOM 1764 N GLY B 114 17.536 -5.524 2.999 1.00 0.00 N ATOM 1765 CA GLY B 114 17.844 -5.513 4.455 1.00 0.00 C ATOM 1766 C GLY B 114 18.664 -4.265 4.780 1.00 0.00 C ATOM 1767 O GLY B 114 19.486 -4.266 5.673 1.00 0.00 O ATOM 0 H GLY B 114 18.322 -5.292 2.392 1.00 0.00 H new ATOM 0 HA2 GLY B 114 16.921 -5.519 5.035 1.00 0.00 H new ATOM 0 HA3 GLY B 114 18.399 -6.410 4.729 1.00 0.00 H new ATOM 1771 N HIS B 115 18.445 -3.201 4.052 1.00 0.00 N ATOM 1772 CA HIS B 115 19.213 -1.942 4.303 1.00 0.00 C ATOM 1773 C HIS B 115 18.263 -0.829 4.755 1.00 0.00 C ATOM 1774 O HIS B 115 17.065 -1.019 4.849 1.00 0.00 O ATOM 1775 CB HIS B 115 19.926 -1.514 3.014 1.00 0.00 C ATOM 1776 CG HIS B 115 20.303 -2.732 2.215 1.00 0.00 C ATOM 1777 ND1 HIS B 115 20.201 -2.771 0.835 1.00 0.00 N ATOM 1778 CD2 HIS B 115 20.780 -3.962 2.591 1.00 0.00 C ATOM 1779 CE1 HIS B 115 20.610 -3.989 0.432 1.00 0.00 C ATOM 1780 NE2 HIS B 115 20.973 -4.754 1.464 1.00 0.00 N ATOM 0 H HIS B 115 17.766 -3.148 3.292 1.00 0.00 H new ATOM 0 HA HIS B 115 19.948 -2.122 5.087 1.00 0.00 H new ATOM 0 HB2 HIS B 115 19.276 -0.868 2.425 1.00 0.00 H new ATOM 0 HB3 HIS B 115 20.817 -0.935 3.255 1.00 0.00 H new ATOM 0 HD2 HIS B 115 20.976 -4.269 3.608 1.00 0.00 H new ATOM 0 HE1 HIS B 115 20.641 -4.308 -0.599 1.00 0.00 H new ATOM 0 HE2 HIS B 115 21.318 -5.713 1.433 1.00 0.00 H new ATOM 1788 N ARG B 116 18.794 0.332 5.034 1.00 0.00 N ATOM 1789 CA ARG B 116 17.936 1.470 5.480 1.00 0.00 C ATOM 1790 C ARG B 116 17.563 2.328 4.268 1.00 0.00 C ATOM 1791 O ARG B 116 18.348 2.498 3.355 1.00 0.00 O ATOM 1792 CB ARG B 116 18.716 2.322 6.491 1.00 0.00 C ATOM 1793 CG ARG B 116 18.054 3.696 6.643 1.00 0.00 C ATOM 1794 CD ARG B 116 18.610 4.401 7.881 1.00 0.00 C ATOM 1795 NE ARG B 116 17.816 5.632 8.154 1.00 0.00 N ATOM 1796 CZ ARG B 116 17.909 6.227 9.310 1.00 0.00 C ATOM 1797 NH1 ARG B 116 18.702 5.746 10.230 1.00 0.00 N ATOM 1798 NH2 ARG B 116 17.212 7.304 9.549 1.00 0.00 N ATOM 0 H ARG B 116 19.790 0.542 4.972 1.00 0.00 H new ATOM 0 HA ARG B 116 17.028 1.088 5.947 1.00 0.00 H new ATOM 0 HB2 ARG B 116 18.748 1.816 7.456 1.00 0.00 H new ATOM 0 HB3 ARG B 116 19.747 2.441 6.159 1.00 0.00 H new ATOM 0 HG2 ARG B 116 18.239 4.300 5.755 1.00 0.00 H new ATOM 0 HG3 ARG B 116 16.974 3.582 6.732 1.00 0.00 H new ATOM 0 HD2 ARG B 116 18.571 3.732 8.741 1.00 0.00 H new ATOM 0 HD3 ARG B 116 19.658 4.659 7.725 1.00 0.00 H new ATOM 0 HE ARG B 116 17.199 6.010 7.435 1.00 0.00 H new ATOM 0 HH11 ARG B 116 19.248 4.905 10.044 1.00 0.00 H new ATOM 0 HH12 ARG B 116 18.775 6.211 11.135 1.00 0.00 H new ATOM 0 HH21 ARG B 116 16.594 7.681 8.831 1.00 0.00 H new ATOM 0 HH22 ARG B 116 17.286 7.769 10.454 1.00 0.00 H new ATOM 1812 N HIS B 117 16.378 2.885 4.258 1.00 0.00 N ATOM 1813 CA HIS B 117 15.962 3.747 3.111 1.00 0.00 C ATOM 1814 C HIS B 117 15.736 5.169 3.600 1.00 0.00 C ATOM 1815 O HIS B 117 15.721 5.444 4.784 1.00 0.00 O ATOM 1816 CB HIS B 117 14.666 3.227 2.498 1.00 0.00 C ATOM 1817 CG HIS B 117 13.710 2.852 3.595 1.00 0.00 C ATOM 1818 ND1 HIS B 117 13.699 1.590 4.168 1.00 0.00 N ATOM 1819 CD2 HIS B 117 12.722 3.563 4.231 1.00 0.00 C ATOM 1820 CE1 HIS B 117 12.736 1.580 5.110 1.00 0.00 C ATOM 1821 NE2 HIS B 117 12.111 2.759 5.189 1.00 0.00 N ATOM 0 H HIS B 117 15.681 2.780 4.995 1.00 0.00 H new ATOM 0 HA HIS B 117 16.750 3.728 2.358 1.00 0.00 H new ATOM 0 HB2 HIS B 117 14.222 3.990 1.858 1.00 0.00 H new ATOM 0 HB3 HIS B 117 14.871 2.362 1.867 1.00 0.00 H new ATOM 0 HD2 HIS B 117 12.459 4.589 4.020 1.00 0.00 H new ATOM 0 HE1 HIS B 117 12.498 0.725 5.725 1.00 0.00 H new ATOM 0 HE2 HIS B 117 11.349 3.015 5.817 1.00 0.00 H new ATOM 1829 N TYR B 118 15.576 6.077 2.684 1.00 0.00 N ATOM 1830 CA TYR B 118 15.369 7.500 3.053 1.00 0.00 C ATOM 1831 C TYR B 118 14.183 8.054 2.254 1.00 0.00 C ATOM 1832 O TYR B 118 14.026 7.765 1.085 1.00 0.00 O ATOM 1833 CB TYR B 118 16.662 8.242 2.734 1.00 0.00 C ATOM 1834 CG TYR B 118 17.813 7.438 3.299 1.00 0.00 C ATOM 1835 CD1 TYR B 118 18.162 6.207 2.719 1.00 0.00 C ATOM 1836 CD2 TYR B 118 18.509 7.894 4.425 1.00 0.00 C ATOM 1837 CE1 TYR B 118 19.200 5.443 3.262 1.00 0.00 C ATOM 1838 CE2 TYR B 118 19.545 7.123 4.966 1.00 0.00 C ATOM 1839 CZ TYR B 118 19.887 5.900 4.388 1.00 0.00 C ATOM 1840 OH TYR B 118 20.903 5.142 4.932 1.00 0.00 O ATOM 0 H TYR B 118 15.580 5.891 1.681 1.00 0.00 H new ATOM 0 HA TYR B 118 15.137 7.620 4.111 1.00 0.00 H new ATOM 0 HB2 TYR B 118 16.775 8.365 1.657 1.00 0.00 H new ATOM 0 HB3 TYR B 118 16.645 9.241 3.169 1.00 0.00 H new ATOM 0 HD1 TYR B 118 17.627 5.850 1.851 1.00 0.00 H new ATOM 0 HD2 TYR B 118 18.247 8.840 4.876 1.00 0.00 H new ATOM 0 HE1 TYR B 118 19.470 4.500 2.810 1.00 0.00 H new ATOM 0 HE2 TYR B 118 20.082 7.476 5.834 1.00 0.00 H new ATOM 0 HH TYR B 118 21.087 4.376 4.350 1.00 0.00 H new ATOM 1850 N GLU B 119 13.327 8.818 2.885 1.00 0.00 N ATOM 1851 CA GLU B 119 12.121 9.353 2.175 1.00 0.00 C ATOM 1852 C GLU B 119 12.265 10.847 1.892 1.00 0.00 C ATOM 1853 O GLU B 119 12.871 11.586 2.643 1.00 0.00 O ATOM 1854 CB GLU B 119 10.888 9.131 3.057 1.00 0.00 C ATOM 1855 CG GLU B 119 10.373 7.703 2.870 1.00 0.00 C ATOM 1856 CD GLU B 119 9.316 7.396 3.929 1.00 0.00 C ATOM 1857 OE1 GLU B 119 8.155 7.680 3.679 1.00 0.00 O ATOM 1858 OE2 GLU B 119 9.681 6.884 4.975 1.00 0.00 O ATOM 0 H GLU B 119 13.410 9.096 3.863 1.00 0.00 H new ATOM 0 HA GLU B 119 12.017 8.829 1.225 1.00 0.00 H new ATOM 0 HB2 GLU B 119 11.141 9.303 4.103 1.00 0.00 H new ATOM 0 HB3 GLU B 119 10.108 9.847 2.796 1.00 0.00 H new ATOM 0 HG2 GLU B 119 9.948 7.587 1.873 1.00 0.00 H new ATOM 0 HG3 GLU B 119 11.198 6.995 2.949 1.00 0.00 H new ATOM 1865 N ARG B 120 11.686 11.296 0.809 1.00 0.00 N ATOM 1866 CA ARG B 120 11.760 12.746 0.462 1.00 0.00 C ATOM 1867 C ARG B 120 10.533 13.160 -0.358 1.00 0.00 C ATOM 1868 O ARG B 120 10.190 12.542 -1.348 1.00 0.00 O ATOM 1869 CB ARG B 120 13.016 13.025 -0.357 1.00 0.00 C ATOM 1870 CG ARG B 120 13.152 14.539 -0.598 1.00 0.00 C ATOM 1871 CD ARG B 120 13.219 14.823 -2.099 1.00 0.00 C ATOM 1872 NE ARG B 120 12.088 14.145 -2.795 1.00 0.00 N ATOM 1873 CZ ARG B 120 11.790 14.469 -4.022 1.00 0.00 C ATOM 1874 NH1 ARG B 120 12.481 15.383 -4.643 1.00 0.00 N ATOM 1875 NH2 ARG B 120 10.798 13.875 -4.629 1.00 0.00 N ATOM 0 H ARG B 120 11.164 10.720 0.149 1.00 0.00 H new ATOM 0 HA ARG B 120 11.789 13.318 1.389 1.00 0.00 H new ATOM 0 HB2 ARG B 120 13.895 12.650 0.168 1.00 0.00 H new ATOM 0 HB3 ARG B 120 12.965 12.498 -1.310 1.00 0.00 H new ATOM 0 HG2 ARG B 120 12.304 15.064 -0.157 1.00 0.00 H new ATOM 0 HG3 ARG B 120 14.050 14.915 -0.107 1.00 0.00 H new ATOM 0 HD2 ARG B 120 13.175 15.897 -2.277 1.00 0.00 H new ATOM 0 HD3 ARG B 120 14.169 14.472 -2.502 1.00 0.00 H new ATOM 0 HE ARG B 120 11.548 13.428 -2.311 1.00 0.00 H new ATOM 0 HH11 ARG B 120 13.256 15.846 -4.169 1.00 0.00 H new ATOM 0 HH12 ARG B 120 12.246 15.635 -5.603 1.00 0.00 H new ATOM 0 HH21 ARG B 120 10.258 13.159 -4.143 1.00 0.00 H new ATOM 0 HH22 ARG B 120 10.563 14.127 -5.589 1.00 0.00 H new ATOM 1889 N LYS B 121 9.882 14.211 0.051 1.00 0.00 N ATOM 1890 CA LYS B 121 8.684 14.702 -0.682 1.00 0.00 C ATOM 1891 C LYS B 121 7.715 13.553 -0.893 1.00 0.00 C ATOM 1892 O LYS B 121 6.882 13.582 -1.778 1.00 0.00 O ATOM 1893 CB LYS B 121 9.097 15.277 -2.037 1.00 0.00 C ATOM 1894 CG LYS B 121 9.892 16.569 -1.828 1.00 0.00 C ATOM 1895 CD LYS B 121 9.978 17.336 -3.151 1.00 0.00 C ATOM 1896 CE LYS B 121 10.725 18.651 -2.929 1.00 0.00 C ATOM 1897 NZ LYS B 121 9.862 19.591 -2.162 1.00 0.00 N ATOM 0 H LYS B 121 10.133 14.759 0.874 1.00 0.00 H new ATOM 0 HA LYS B 121 8.203 15.485 -0.096 1.00 0.00 H new ATOM 0 HB2 LYS B 121 9.700 14.551 -2.582 1.00 0.00 H new ATOM 0 HB3 LYS B 121 8.213 15.476 -2.643 1.00 0.00 H new ATOM 0 HG2 LYS B 121 9.411 17.186 -1.069 1.00 0.00 H new ATOM 0 HG3 LYS B 121 10.893 16.338 -1.464 1.00 0.00 H new ATOM 0 HD2 LYS B 121 10.493 16.734 -3.900 1.00 0.00 H new ATOM 0 HD3 LYS B 121 8.977 17.534 -3.535 1.00 0.00 H new ATOM 0 HE2 LYS B 121 11.652 18.467 -2.386 1.00 0.00 H new ATOM 0 HE3 LYS B 121 10.999 19.092 -3.887 1.00 0.00 H new ATOM 0 HZ1 LYS B 121 10.243 20.556 -2.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 121 8.896 19.567 -2.546 1.00 0.00 H new ATOM 0 HZ3 LYS B 121 9.844 19.308 -1.161 1.00 0.00 H new ATOM 1911 N GLY B 122 7.806 12.546 -0.080 1.00 0.00 N ATOM 1912 CA GLY B 122 6.876 11.402 -0.233 1.00 0.00 C ATOM 1913 C GLY B 122 7.441 10.412 -1.243 1.00 0.00 C ATOM 1914 O GLY B 122 6.715 9.732 -1.941 1.00 0.00 O ATOM 0 H GLY B 122 8.481 12.465 0.681 1.00 0.00 H new ATOM 0 HA2 GLY B 122 6.728 10.910 0.729 1.00 0.00 H new ATOM 0 HA3 GLY B 122 5.900 11.756 -0.564 1.00 0.00 H new ATOM 1918 N LEU B 123 8.734 10.325 -1.321 1.00 0.00 N ATOM 1919 CA LEU B 123 9.372 9.377 -2.273 1.00 0.00 C ATOM 1920 C LEU B 123 10.623 8.796 -1.626 1.00 0.00 C ATOM 1921 O LEU B 123 11.332 9.471 -0.906 1.00 0.00 O ATOM 1922 CB LEU B 123 9.749 10.098 -3.568 1.00 0.00 C ATOM 1923 CG LEU B 123 8.536 10.200 -4.492 1.00 0.00 C ATOM 1924 CD1 LEU B 123 8.943 10.966 -5.754 1.00 0.00 C ATOM 1925 CD2 LEU B 123 8.051 8.792 -4.871 1.00 0.00 C ATOM 0 H LEU B 123 9.385 10.875 -0.761 1.00 0.00 H new ATOM 0 HA LEU B 123 8.670 8.578 -2.512 1.00 0.00 H new ATOM 0 HB2 LEU B 123 10.126 11.095 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU B 123 10.553 9.560 -4.071 1.00 0.00 H new ATOM 0 HG LEU B 123 7.727 10.725 -3.985 1.00 0.00 H new ATOM 0 HD11 LEU B 123 8.086 11.046 -6.423 1.00 0.00 H new ATOM 0 HD12 LEU B 123 9.284 11.964 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.749 10.433 -6.259 1.00 0.00 H new ATOM 0 HD21 LEU B 123 7.186 8.870 -5.530 1.00 0.00 H new ATOM 0 HD22 LEU B 123 8.851 8.258 -5.384 1.00 0.00 H new ATOM 0 HD23 LEU B 123 7.772 8.248 -3.969 1.00 0.00 H new ATOM 1937 N ALA B 124 10.889 7.546 -1.861 1.00 0.00 N ATOM 1938 CA ALA B 124 12.083 6.919 -1.240 1.00 0.00 C ATOM 1939 C ALA B 124 13.354 7.349 -1.958 1.00 0.00 C ATOM 1940 O ALA B 124 13.352 7.656 -3.133 1.00 0.00 O ATOM 1941 CB ALA B 124 11.974 5.400 -1.334 1.00 0.00 C ATOM 0 H ALA B 124 10.332 6.932 -2.455 1.00 0.00 H new ATOM 0 HA ALA B 124 12.127 7.237 -0.198 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.852 4.943 -0.877 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.078 5.066 -0.811 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.914 5.104 -2.381 1.00 0.00 H new ATOM 1947 N TYR B 125 14.449 7.350 -1.252 1.00 0.00 N ATOM 1948 CA TYR B 125 15.737 7.728 -1.875 1.00 0.00 C ATOM 1949 C TYR B 125 16.861 7.054 -1.110 1.00 0.00 C ATOM 1950 O TYR B 125 16.827 6.974 0.097 1.00 0.00 O ATOM 1951 CB TYR B 125 15.922 9.236 -1.806 1.00 0.00 C ATOM 1952 CG TYR B 125 15.057 9.883 -2.843 1.00 0.00 C ATOM 1953 CD1 TYR B 125 15.486 9.956 -4.168 1.00 0.00 C ATOM 1954 CD2 TYR B 125 13.822 10.410 -2.474 1.00 0.00 C ATOM 1955 CE1 TYR B 125 14.664 10.560 -5.132 1.00 0.00 C ATOM 1956 CE2 TYR B 125 13.008 11.010 -3.426 1.00 0.00 C ATOM 1957 CZ TYR B 125 13.424 11.087 -4.759 1.00 0.00 C ATOM 1958 OH TYR B 125 12.613 11.685 -5.702 1.00 0.00 O ATOM 0 H TYR B 125 14.503 7.103 -0.264 1.00 0.00 H new ATOM 0 HA TYR B 125 15.746 7.414 -2.919 1.00 0.00 H new ATOM 0 HB2 TYR B 125 15.658 9.602 -0.814 1.00 0.00 H new ATOM 0 HB3 TYR B 125 16.968 9.495 -1.973 1.00 0.00 H new ATOM 0 HD1 TYR B 125 16.446 9.550 -4.451 1.00 0.00 H new ATOM 0 HD2 TYR B 125 13.497 10.352 -1.446 1.00 0.00 H new ATOM 0 HE1 TYR B 125 14.989 10.618 -6.160 1.00 0.00 H new ATOM 0 HE2 TYR B 125 12.051 11.418 -3.136 1.00 0.00 H new ATOM 0 HH TYR B 125 11.674 11.568 -5.447 1.00 0.00 H new ATOM 1968 N CYS B 126 17.860 6.571 -1.780 1.00 0.00 N ATOM 1969 CA CYS B 126 18.961 5.921 -1.031 1.00 0.00 C ATOM 1970 C CYS B 126 19.530 6.933 -0.032 1.00 0.00 C ATOM 1971 O CYS B 126 19.125 8.078 0.004 1.00 0.00 O ATOM 1972 CB CYS B 126 20.083 5.506 -1.981 1.00 0.00 C ATOM 1973 SG CYS B 126 19.523 4.167 -3.051 1.00 0.00 S ATOM 0 H CYS B 126 17.963 6.596 -2.794 1.00 0.00 H new ATOM 0 HA CYS B 126 18.574 5.037 -0.524 1.00 0.00 H new ATOM 0 HB2 CYS B 126 20.394 6.359 -2.585 1.00 0.00 H new ATOM 0 HB3 CYS B 126 20.954 5.186 -1.410 1.00 0.00 H new ATOM 1978 N GLU B 127 20.478 6.526 0.757 1.00 0.00 N ATOM 1979 CA GLU B 127 21.097 7.469 1.736 1.00 0.00 C ATOM 1980 C GLU B 127 21.801 8.597 0.981 1.00 0.00 C ATOM 1981 O GLU B 127 21.837 9.730 1.420 1.00 0.00 O ATOM 1982 CB GLU B 127 22.149 6.726 2.568 1.00 0.00 C ATOM 1983 CG GLU B 127 22.628 7.622 3.715 1.00 0.00 C ATOM 1984 CD GLU B 127 23.360 6.770 4.756 1.00 0.00 C ATOM 1985 OE1 GLU B 127 23.820 5.699 4.398 1.00 0.00 O ATOM 1986 OE2 GLU B 127 23.445 7.204 5.892 1.00 0.00 O ATOM 0 H GLU B 127 20.856 5.579 0.770 1.00 0.00 H new ATOM 0 HA GLU B 127 20.317 7.872 2.382 1.00 0.00 H new ATOM 0 HB2 GLU B 127 21.726 5.804 2.966 1.00 0.00 H new ATOM 0 HB3 GLU B 127 22.992 6.444 1.938 1.00 0.00 H new ATOM 0 HG2 GLU B 127 23.292 8.397 3.332 1.00 0.00 H new ATOM 0 HG3 GLU B 127 21.779 8.127 4.175 1.00 0.00 H new ATOM 1993 N THR B 128 22.387 8.282 -0.140 1.00 0.00 N ATOM 1994 CA THR B 128 23.129 9.311 -0.926 1.00 0.00 C ATOM 1995 C THR B 128 22.199 10.064 -1.869 1.00 0.00 C ATOM 1996 O THR B 128 22.281 11.269 -1.986 1.00 0.00 O ATOM 1997 CB THR B 128 24.233 8.628 -1.736 1.00 0.00 C ATOM 1998 OG1 THR B 128 25.180 8.051 -0.851 1.00 0.00 O ATOM 1999 CG2 THR B 128 24.927 9.661 -2.627 1.00 0.00 C ATOM 0 H THR B 128 22.384 7.348 -0.550 1.00 0.00 H new ATOM 0 HA THR B 128 23.561 10.030 -0.230 1.00 0.00 H new ATOM 0 HB THR B 128 23.797 7.848 -2.360 1.00 0.00 H new ATOM 0 HG1 THR B 128 25.887 7.612 -1.369 1.00 0.00 H new ATOM 0 HG21 THR B 128 25.713 9.174 -3.204 1.00 0.00 H new ATOM 0 HG22 THR B 128 24.199 10.103 -3.307 1.00 0.00 H new ATOM 0 HG23 THR B 128 25.364 10.443 -2.006 1.00 0.00 H new ATOM 2007 N HIS B 129 21.327 9.387 -2.552 1.00 0.00 N ATOM 2008 CA HIS B 129 20.430 10.107 -3.481 1.00 0.00 C ATOM 2009 C HIS B 129 19.509 10.985 -2.660 1.00 0.00 C ATOM 2010 O HIS B 129 19.311 12.143 -2.964 1.00 0.00 O ATOM 2011 CB HIS B 129 19.637 9.101 -4.315 1.00 0.00 C ATOM 2012 CG HIS B 129 20.611 8.298 -5.146 1.00 0.00 C ATOM 2013 ND1 HIS B 129 20.493 6.923 -5.364 1.00 0.00 N ATOM 2014 CD2 HIS B 129 21.750 8.678 -5.817 1.00 0.00 C ATOM 2015 CE1 HIS B 129 21.532 6.547 -6.133 1.00 0.00 C ATOM 2016 NE2 HIS B 129 22.327 7.574 -6.436 1.00 0.00 N ATOM 0 H HIS B 129 21.198 8.376 -2.507 1.00 0.00 H new ATOM 0 HA HIS B 129 21.003 10.729 -4.169 1.00 0.00 H new ATOM 0 HB2 HIS B 129 19.059 8.443 -3.666 1.00 0.00 H new ATOM 0 HB3 HIS B 129 18.926 9.619 -4.959 1.00 0.00 H new ATOM 0 HD2 HIS B 129 22.139 9.685 -5.857 1.00 0.00 H new ATOM 0 HE1 HIS B 129 21.702 5.533 -6.465 1.00 0.00 H new ATOM 0 HE2 HIS B 129 23.176 7.554 -7.001 1.00 0.00 H new ATOM 2024 N TYR B 130 18.984 10.471 -1.593 1.00 0.00 N ATOM 2025 CA TYR B 130 18.122 11.298 -0.741 1.00 0.00 C ATOM 2026 C TYR B 130 18.882 12.564 -0.432 1.00 0.00 C ATOM 2027 O TYR B 130 18.438 13.666 -0.684 1.00 0.00 O ATOM 2028 CB TYR B 130 17.880 10.558 0.565 1.00 0.00 C ATOM 2029 CG TYR B 130 17.236 11.486 1.561 1.00 0.00 C ATOM 2030 CD1 TYR B 130 16.281 12.411 1.137 1.00 0.00 C ATOM 2031 CD2 TYR B 130 17.598 11.422 2.914 1.00 0.00 C ATOM 2032 CE1 TYR B 130 15.688 13.270 2.057 1.00 0.00 C ATOM 2033 CE2 TYR B 130 16.999 12.284 3.837 1.00 0.00 C ATOM 2034 CZ TYR B 130 16.043 13.208 3.409 1.00 0.00 C ATOM 2035 OH TYR B 130 15.450 14.062 4.319 1.00 0.00 O ATOM 0 H TYR B 130 19.119 9.510 -1.278 1.00 0.00 H new ATOM 0 HA TYR B 130 17.173 11.513 -1.233 1.00 0.00 H new ATOM 0 HB2 TYR B 130 17.239 9.694 0.391 1.00 0.00 H new ATOM 0 HB3 TYR B 130 18.823 10.181 0.961 1.00 0.00 H new ATOM 0 HD1 TYR B 130 16.002 12.460 0.095 1.00 0.00 H new ATOM 0 HD2 TYR B 130 18.339 10.708 3.243 1.00 0.00 H new ATOM 0 HE1 TYR B 130 14.951 13.987 1.726 1.00 0.00 H new ATOM 0 HE2 TYR B 130 17.275 12.236 4.880 1.00 0.00 H new ATOM 0 HH TYR B 130 16.096 14.745 4.596 1.00 0.00 H new ATOM 2045 N ASN B 131 20.037 12.390 0.120 1.00 0.00 N ATOM 2046 CA ASN B 131 20.863 13.556 0.464 1.00 0.00 C ATOM 2047 C ASN B 131 21.261 14.280 -0.817 1.00 0.00 C ATOM 2048 O ASN B 131 21.170 15.488 -0.907 1.00 0.00 O ATOM 2049 CB ASN B 131 22.114 13.107 1.220 1.00 0.00 C ATOM 2050 CG ASN B 131 21.754 12.805 2.675 1.00 0.00 C ATOM 2051 OD1 ASN B 131 21.716 13.695 3.501 1.00 0.00 O ATOM 2052 ND2 ASN B 131 21.484 11.578 3.027 1.00 0.00 N ATOM 0 H ASN B 131 20.445 11.483 0.348 1.00 0.00 H new ATOM 0 HA ASN B 131 20.293 14.230 1.103 1.00 0.00 H new ATOM 0 HB2 ASN B 131 22.538 12.220 0.748 1.00 0.00 H new ATOM 0 HB3 ASN B 131 22.876 13.885 1.177 1.00 0.00 H new ATOM 0 HD21 ASN B 131 21.241 11.367 3.995 1.00 0.00 H new ATOM 0 HD22 ASN B 131 21.516 10.830 2.334 1.00 0.00 H new ATOM 2059 N GLN B 132 21.677 13.560 -1.824 1.00 0.00 N ATOM 2060 CA GLN B 132 22.040 14.250 -3.094 1.00 0.00 C ATOM 2061 C GLN B 132 20.838 15.086 -3.499 1.00 0.00 C ATOM 2062 O GLN B 132 20.952 16.168 -4.038 1.00 0.00 O ATOM 2063 CB GLN B 132 22.352 13.229 -4.196 1.00 0.00 C ATOM 2064 CG GLN B 132 23.178 13.900 -5.296 1.00 0.00 C ATOM 2065 CD GLN B 132 24.620 14.075 -4.820 1.00 0.00 C ATOM 2066 OE1 GLN B 132 24.910 13.914 -3.649 1.00 0.00 O ATOM 2067 NE2 GLN B 132 25.545 14.400 -5.680 1.00 0.00 N ATOM 0 H GLN B 132 21.780 12.545 -1.824 1.00 0.00 H new ATOM 0 HA GLN B 132 22.927 14.867 -2.952 1.00 0.00 H new ATOM 0 HB2 GLN B 132 22.900 12.384 -3.779 1.00 0.00 H new ATOM 0 HB3 GLN B 132 21.426 12.833 -4.612 1.00 0.00 H new ATOM 0 HG2 GLN B 132 23.155 13.295 -6.203 1.00 0.00 H new ATOM 0 HG3 GLN B 132 22.747 14.869 -5.548 1.00 0.00 H new ATOM 0 HE21 GLN B 132 25.304 14.535 -6.662 1.00 0.00 H new ATOM 0 HE22 GLN B 132 26.510 14.519 -5.371 1.00 0.00 H new ATOM 2076 N LEU B 133 19.677 14.575 -3.209 1.00 0.00 N ATOM 2077 CA LEU B 133 18.423 15.304 -3.531 1.00 0.00 C ATOM 2078 C LEU B 133 18.188 16.391 -2.483 1.00 0.00 C ATOM 2079 O LEU B 133 17.678 17.455 -2.779 1.00 0.00 O ATOM 2080 CB LEU B 133 17.248 14.315 -3.506 1.00 0.00 C ATOM 2081 CG LEU B 133 16.999 13.733 -4.907 1.00 0.00 C ATOM 2082 CD1 LEU B 133 17.796 12.441 -5.099 1.00 0.00 C ATOM 2083 CD2 LEU B 133 15.514 13.425 -5.063 1.00 0.00 C ATOM 0 H LEU B 133 19.542 13.671 -2.756 1.00 0.00 H new ATOM 0 HA LEU B 133 18.503 15.759 -4.518 1.00 0.00 H new ATOM 0 HB2 LEU B 133 17.460 13.509 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU B 133 16.349 14.819 -3.151 1.00 0.00 H new ATOM 0 HG LEU B 133 17.317 14.462 -5.653 1.00 0.00 H new ATOM 0 HD11 LEU B 133 17.608 12.042 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU B 133 18.860 12.650 -4.986 1.00 0.00 H new ATOM 0 HD13 LEU B 133 17.488 11.709 -4.352 1.00 0.00 H new ATOM 0 HD21 LEU B 133 15.330 13.012 -6.055 1.00 0.00 H new ATOM 0 HD22 LEU B 133 15.211 12.701 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU B 133 14.937 14.342 -4.939 1.00 0.00 H new ATOM 2095 N PHE B 134 18.541 16.127 -1.257 1.00 0.00 N ATOM 2096 CA PHE B 134 18.324 17.140 -0.184 1.00 0.00 C ATOM 2097 C PHE B 134 19.253 16.863 0.994 1.00 0.00 C ATOM 2098 O PHE B 134 20.294 17.472 1.141 1.00 0.00 O ATOM 2099 CB PHE B 134 16.866 17.056 0.290 1.00 0.00 C ATOM 2100 CG PHE B 134 15.997 17.925 -0.587 1.00 0.00 C ATOM 2101 CD1 PHE B 134 15.876 19.294 -0.319 1.00 0.00 C ATOM 2102 CD2 PHE B 134 15.321 17.360 -1.669 1.00 0.00 C ATOM 2103 CE1 PHE B 134 15.072 20.097 -1.135 1.00 0.00 C ATOM 2104 CE2 PHE B 134 14.517 18.163 -2.489 1.00 0.00 C ATOM 2105 CZ PHE B 134 14.393 19.532 -2.220 1.00 0.00 C ATOM 0 H PHE B 134 18.970 15.254 -0.950 1.00 0.00 H new ATOM 0 HA PHE B 134 18.536 18.134 -0.577 1.00 0.00 H new ATOM 0 HB2 PHE B 134 16.520 16.023 0.253 1.00 0.00 H new ATOM 0 HB3 PHE B 134 16.791 17.380 1.328 1.00 0.00 H new ATOM 0 HD1 PHE B 134 16.403 19.730 0.517 1.00 0.00 H new ATOM 0 HD2 PHE B 134 15.417 16.304 -1.874 1.00 0.00 H new ATOM 0 HE1 PHE B 134 14.975 21.152 -0.928 1.00 0.00 H new ATOM 0 HE2 PHE B 134 13.994 17.727 -3.327 1.00 0.00 H new ATOM 0 HZ PHE B 134 13.773 20.152 -2.851 1.00 0.00 H new ATOM 2115 N GLY B 135 18.874 15.950 1.840 1.00 0.00 N ATOM 2116 CA GLY B 135 19.720 15.624 3.027 1.00 0.00 C ATOM 2117 C GLY B 135 19.360 16.557 4.184 1.00 0.00 C ATOM 2118 O GLY B 135 20.188 16.901 5.002 1.00 0.00 O ATOM 0 H GLY B 135 18.011 15.411 1.763 1.00 0.00 H new ATOM 0 HA2 GLY B 135 19.566 14.586 3.322 1.00 0.00 H new ATOM 0 HA3 GLY B 135 20.775 15.731 2.775 1.00 0.00 H new ATOM 2122 N ASP B 136 18.123 16.970 4.255 1.00 0.00 N ATOM 2123 CA ASP B 136 17.706 17.881 5.358 1.00 0.00 C ATOM 2124 C ASP B 136 18.701 19.037 5.473 1.00 0.00 C ATOM 2125 O ASP B 136 19.207 19.327 6.537 1.00 0.00 O ATOM 2126 CB ASP B 136 17.670 17.103 6.676 1.00 0.00 C ATOM 2127 CG ASP B 136 16.458 16.172 6.686 1.00 0.00 C ATOM 2128 OD1 ASP B 136 15.864 15.992 5.636 1.00 0.00 O ATOM 2129 OD2 ASP B 136 16.145 15.651 7.745 1.00 0.00 O ATOM 0 H ASP B 136 17.385 16.716 3.598 1.00 0.00 H new ATOM 0 HA ASP B 136 16.714 18.279 5.144 1.00 0.00 H new ATOM 0 HB2 ASP B 136 18.587 16.525 6.795 1.00 0.00 H new ATOM 0 HB3 ASP B 136 17.618 17.794 7.517 1.00 0.00 H new ATOM 2134 N VAL B 137 18.985 19.698 4.383 1.00 0.00 N ATOM 2135 CA VAL B 137 19.947 20.835 4.433 1.00 0.00 C ATOM 2136 C VAL B 137 19.777 21.702 3.183 1.00 0.00 C ATOM 2137 O VAL B 137 20.196 21.481 3.162 1.00 0.00 O ATOM 2138 CB VAL B 137 21.377 20.289 4.483 1.00 0.00 C ATOM 2139 CG1 VAL B 137 21.687 19.545 3.183 1.00 0.00 C ATOM 2140 CG2 VAL B 137 22.358 21.453 4.650 1.00 0.00 C ATOM 0 H VAL B 137 18.593 19.500 3.462 1.00 0.00 H new ATOM 0 HA VAL B 137 19.754 21.436 5.322 1.00 0.00 H new ATOM 0 HB VAL B 137 21.475 19.603 5.325 1.00 0.00 H new ATOM 0 HG11 VAL B 137 22.705 19.157 3.220 1.00 0.00 H new ATOM 0 HG12 VAL B 137 20.987 18.718 3.061 1.00 0.00 H new ATOM 0 HG13 VAL B 137 21.590 20.229 2.340 1.00 0.00 H new ATOM 0 HG21 VAL B 137 23.377 21.068 4.686 1.00 0.00 H new ATOM 0 HG22 VAL B 137 22.258 22.137 3.807 1.00 0.00 H new ATOM 0 HG23 VAL B 137 22.138 21.984 5.576 1.00 0.00 H new TER 2150 VAL B 137 HETATM 2151 ZN ZN B 138 5.835 -5.462 -5.404 1.00 0.00 ZN HETATM 2152 ZN ZN B 139 19.052 5.701 -4.701 1.00 0.00 ZN