USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 803 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 SER OG : rot 74:sc= 0.134 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0.132 USER MOD Set 2.1: A 55 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 41 LYS NZ :NH3+ -172:sc= 1.29 (180deg=1.23) USER MOD Set 3.2: A 78 TYR OH : rot 39:sc= 0.358 USER MOD Set 4.1: A 8 GLN : amide:sc= 0.828 K(o=1.2,f=-1.4!) USER MOD Set 4.2: A 28 SER OG : rot 180:sc= 0.393 USER MOD Set 5.1: A 19 LYS NZ :NH3+ 172:sc= 1.21 (180deg=1.16) USER MOD Set 5.2: A 21 ASN : amide:sc= -0.181 K(o=1,f=-0.3) USER MOD Set 6.1: A 11 SER OG : rot 166:sc= 0.57 USER MOD Set 6.2: A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -118:sc= 0.0692 (180deg=-0.0594) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= -0.0496 USER MOD Single : A 13 HIS : no HD1:sc= -0.0888 X(o=-0.089,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.695 K(o=0.7,f=-5.2!) USER MOD Single : A 24 ASN : amide:sc= -0.909 K(o=-0.91,f=-1.8) USER MOD Single : A 26 TYR OH : rot 71:sc= 0.00176 USER MOD Single : A 31 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-4.1!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00226 USER MOD Single : A 42 ASN : amide:sc= -0.0906 X(o=-0.091,f=-0.091) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00936) USER MOD Single : A 51 HIS : no HD1:sc= -0.0791 K(o=-0.079,f=-1.9) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -35:sc= 1.2 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -49:sc= 0.254 USER MOD Single : A 66 TYR OH : rot 150:sc= -0.536 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 85:sc= 0.695 USER MOD Single : A 73 THR OG1 : rot 70:sc= 0.186 USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= 0.97 (180deg=0.75) USER MOD Single : A 83 ASN : amide:sc= 0.0226 K(o=0.023,f=-1.6) USER MOD Single : A 84 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-5.1!) USER MOD Single : A 86 THR OG1 : rot 47:sc= 0.748 USER MOD Single : A 88 SER OG : rot -33:sc= 0.323 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= -0.15 (180deg=-0.455) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -5.555 -23.096 -0.358 1.00 0.00 N ATOM 2 CA MET A 0 -5.527 -22.947 -1.825 1.00 0.00 C ATOM 3 C MET A 0 -4.364 -22.057 -2.270 1.00 0.00 C ATOM 4 O MET A 0 -3.674 -21.470 -1.439 1.00 0.00 O ATOM 5 CB MET A 0 -6.860 -22.397 -2.354 1.00 0.00 C ATOM 6 CG MET A 0 -8.026 -23.372 -2.163 1.00 0.00 C ATOM 7 SD MET A 0 -9.583 -22.760 -2.864 1.00 0.00 S ATOM 8 CE MET A 0 -10.622 -24.227 -2.647 1.00 0.00 C ATOM 0 H1 MET A 0 -5.423 -24.097 -0.108 1.00 0.00 H new ATOM 0 H2 MET A 0 -4.790 -22.531 0.063 1.00 0.00 H new ATOM 0 H3 MET A 0 -6.471 -22.766 0.007 1.00 0.00 H new ATOM 0 HA MET A 0 -5.377 -23.939 -2.250 1.00 0.00 H new ATOM 0 HB2 MET A 0 -7.089 -21.461 -1.844 1.00 0.00 H new ATOM 0 HB3 MET A 0 -6.757 -22.166 -3.414 1.00 0.00 H new ATOM 0 HG2 MET A 0 -7.775 -24.326 -2.627 1.00 0.00 H new ATOM 0 HG3 MET A 0 -8.163 -23.562 -1.098 1.00 0.00 H new ATOM 0 HE1 MET A 0 -11.623 -24.024 -3.028 1.00 0.00 H new ATOM 0 HE2 MET A 0 -10.188 -25.064 -3.194 1.00 0.00 H new ATOM 0 HE3 MET A 0 -10.681 -24.478 -1.588 1.00 0.00 H new ATOM 20 N ILE A 1 -4.163 -21.962 -3.591 1.00 0.00 N ATOM 21 CA ILE A 1 -3.127 -21.153 -4.224 1.00 0.00 C ATOM 22 C ILE A 1 -3.263 -19.672 -3.850 1.00 0.00 C ATOM 23 O ILE A 1 -2.279 -18.975 -3.613 1.00 0.00 O ATOM 24 CB ILE A 1 -3.112 -21.460 -5.739 1.00 0.00 C ATOM 25 CG1 ILE A 1 -1.748 -21.306 -6.436 1.00 0.00 C ATOM 26 CG2 ILE A 1 -4.225 -20.728 -6.491 1.00 0.00 C ATOM 27 CD1 ILE A 1 -1.278 -19.872 -6.690 1.00 0.00 C ATOM 0 H ILE A 1 -4.739 -22.465 -4.266 1.00 0.00 H new ATOM 0 HA ILE A 1 -2.140 -21.419 -3.846 1.00 0.00 H new ATOM 0 HB ILE A 1 -3.317 -22.529 -5.788 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -0.995 -21.811 -5.831 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -1.791 -21.827 -7.392 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.172 -20.976 -7.551 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -5.193 -21.033 -6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -4.104 -19.652 -6.364 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -0.307 -19.890 -7.185 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -2.000 -19.360 -7.326 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -1.192 -19.344 -5.740 1.00 0.00 H new ATOM 39 N GLN A 2 -4.513 -19.226 -3.750 1.00 0.00 N ATOM 40 CA GLN A 2 -4.899 -17.848 -3.487 1.00 0.00 C ATOM 41 C GLN A 2 -4.769 -17.527 -1.996 1.00 0.00 C ATOM 42 O GLN A 2 -5.773 -17.459 -1.287 1.00 0.00 O ATOM 43 CB GLN A 2 -6.338 -17.612 -3.975 1.00 0.00 C ATOM 44 CG GLN A 2 -6.470 -17.719 -5.500 1.00 0.00 C ATOM 45 CD GLN A 2 -7.829 -17.223 -5.987 1.00 0.00 C ATOM 46 OE1 GLN A 2 -7.904 -16.302 -6.797 1.00 0.00 O ATOM 47 NE2 GLN A 2 -8.909 -17.835 -5.497 1.00 0.00 N ATOM 0 H GLN A 2 -5.317 -19.845 -3.855 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.230 -17.181 -4.031 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.001 -18.339 -3.505 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.669 -16.624 -3.654 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -5.679 -17.138 -5.975 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.331 -18.756 -5.805 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.804 -18.596 -4.826 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -9.840 -17.542 -5.794 1.00 0.00 H new ATOM 56 N ARG A 3 -3.540 -17.288 -1.522 1.00 0.00 N ATOM 57 CA ARG A 3 -3.322 -16.741 -0.189 1.00 0.00 C ATOM 58 C ARG A 3 -3.744 -15.270 -0.191 1.00 0.00 C ATOM 59 O ARG A 3 -3.142 -14.452 -0.886 1.00 0.00 O ATOM 60 CB ARG A 3 -1.856 -16.863 0.223 1.00 0.00 C ATOM 61 CG ARG A 3 -1.408 -18.308 0.466 1.00 0.00 C ATOM 62 CD ARG A 3 0.075 -18.351 0.860 1.00 0.00 C ATOM 63 NE ARG A 3 0.352 -17.652 2.121 1.00 0.00 N ATOM 64 CZ ARG A 3 0.350 -18.189 3.351 1.00 0.00 C ATOM 65 NH1 ARG A 3 -0.024 -19.461 3.551 1.00 0.00 N ATOM 66 NH2 ARG A 3 0.725 -17.435 4.392 1.00 0.00 N ATOM 0 H ARG A 3 -2.684 -17.467 -2.047 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.917 -17.304 0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.231 -16.423 -0.554 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.692 -16.283 1.131 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.013 -18.755 1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.569 -18.901 -0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.392 -19.390 0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.670 -17.903 0.064 1.00 0.00 H new ATOM 0 HE ARG A 3 0.568 -16.657 2.056 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -0.313 -20.038 2.761 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -0.019 -19.852 4.493 1.00 0.00 H new ATOM 0 HH21 ARG A 3 1.007 -16.466 4.244 1.00 0.00 H new ATOM 0 HH22 ARG A 3 0.728 -17.830 5.333 1.00 0.00 H new ATOM 80 N THR A 4 -4.785 -14.943 0.582 1.00 0.00 N ATOM 81 CA THR A 4 -5.349 -13.604 0.651 1.00 0.00 C ATOM 82 C THR A 4 -4.339 -12.643 1.300 1.00 0.00 C ATOM 83 O THR A 4 -3.789 -12.975 2.350 1.00 0.00 O ATOM 84 CB THR A 4 -6.658 -13.664 1.453 1.00 0.00 C ATOM 85 OG1 THR A 4 -7.463 -14.718 0.964 1.00 0.00 O ATOM 86 CG2 THR A 4 -7.448 -12.355 1.365 1.00 0.00 C ATOM 0 H THR A 4 -5.261 -15.615 1.183 1.00 0.00 H new ATOM 0 HA THR A 4 -5.564 -13.230 -0.350 1.00 0.00 H new ATOM 0 HB THR A 4 -6.395 -13.831 2.497 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.297 -14.757 1.477 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.365 -12.444 1.947 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.844 -11.538 1.761 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.697 -12.150 0.324 1.00 0.00 H new ATOM 94 N PRO A 5 -4.077 -11.465 0.708 1.00 0.00 N ATOM 95 CA PRO A 5 -3.133 -10.496 1.243 1.00 0.00 C ATOM 96 C PRO A 5 -3.700 -9.800 2.483 1.00 0.00 C ATOM 97 O PRO A 5 -4.815 -9.281 2.449 1.00 0.00 O ATOM 98 CB PRO A 5 -2.903 -9.490 0.114 1.00 0.00 C ATOM 99 CG PRO A 5 -4.213 -9.526 -0.666 1.00 0.00 C ATOM 100 CD PRO A 5 -4.637 -10.990 -0.547 1.00 0.00 C ATOM 0 HA PRO A 5 -2.205 -10.973 1.559 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.694 -8.493 0.501 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.056 -9.774 -0.510 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.957 -8.853 -0.239 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.073 -9.228 -1.705 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.723 -11.084 -0.551 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.264 -11.575 -1.388 1.00 0.00 H new ATOM 108 N LYS A 6 -2.912 -9.761 3.564 1.00 0.00 N ATOM 109 CA LYS A 6 -3.209 -8.979 4.750 1.00 0.00 C ATOM 110 C LYS A 6 -2.671 -7.563 4.542 1.00 0.00 C ATOM 111 O LYS A 6 -1.472 -7.389 4.340 1.00 0.00 O ATOM 112 CB LYS A 6 -2.560 -9.634 5.975 1.00 0.00 C ATOM 113 CG LYS A 6 -3.111 -8.997 7.252 1.00 0.00 C ATOM 114 CD LYS A 6 -2.213 -9.328 8.447 1.00 0.00 C ATOM 115 CE LYS A 6 -2.737 -8.632 9.706 1.00 0.00 C ATOM 116 NZ LYS A 6 -1.856 -8.874 10.860 1.00 0.00 N ATOM 0 H LYS A 6 -2.038 -10.283 3.631 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.285 -8.935 4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.760 -10.705 5.976 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.478 -9.512 5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.177 -7.916 7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.122 -9.358 7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.185 -10.406 8.603 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.191 -9.008 8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.816 -7.560 9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.741 -8.992 9.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.239 -8.389 11.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.801 -9.896 11.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.905 -8.508 10.653 1.00 0.00 H new ATOM 130 N ILE A 7 -3.563 -6.569 4.599 1.00 0.00 N ATOM 131 CA ILE A 7 -3.253 -5.152 4.463 1.00 0.00 C ATOM 132 C ILE A 7 -3.054 -4.519 5.844 1.00 0.00 C ATOM 133 O ILE A 7 -3.858 -4.761 6.744 1.00 0.00 O ATOM 134 CB ILE A 7 -4.358 -4.440 3.654 1.00 0.00 C ATOM 135 CG1 ILE A 7 -5.711 -4.202 4.364 1.00 0.00 C ATOM 136 CG2 ILE A 7 -4.562 -5.138 2.303 1.00 0.00 C ATOM 137 CD1 ILE A 7 -6.482 -5.447 4.821 1.00 0.00 C ATOM 0 H ILE A 7 -4.557 -6.742 4.747 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.319 -5.037 3.913 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.971 -3.430 3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.531 -3.575 5.237 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -6.352 -3.634 3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.344 -4.625 1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.632 -5.111 1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.855 -6.175 2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.411 -5.143 5.303 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.709 -6.072 3.957 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.874 -6.012 5.528 1.00 0.00 H new ATOM 149 N GLN A 8 -1.999 -3.712 6.029 1.00 0.00 N ATOM 150 CA GLN A 8 -1.765 -2.970 7.248 1.00 0.00 C ATOM 151 C GLN A 8 -1.173 -1.599 6.894 1.00 0.00 C ATOM 152 O GLN A 8 0.012 -1.350 7.097 1.00 0.00 O ATOM 153 CB GLN A 8 -0.880 -3.805 8.179 1.00 0.00 C ATOM 154 CG GLN A 8 0.343 -4.461 7.516 1.00 0.00 C ATOM 155 CD GLN A 8 0.193 -5.961 7.262 1.00 0.00 C ATOM 156 OE1 GLN A 8 -0.904 -6.467 7.039 1.00 0.00 O ATOM 157 NE2 GLN A 8 1.318 -6.678 7.301 1.00 0.00 N ATOM 0 H GLN A 8 -1.282 -3.564 5.318 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.693 -2.779 7.787 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.533 -3.166 8.991 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.492 -4.588 8.628 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.538 -3.962 6.567 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.216 -4.297 8.148 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.209 -6.219 7.490 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.287 -7.685 7.142 1.00 0.00 H new ATOM 166 N VAL A 9 -2.015 -0.709 6.356 1.00 0.00 N ATOM 167 CA VAL A 9 -1.621 0.625 5.918 1.00 0.00 C ATOM 168 C VAL A 9 -1.355 1.519 7.134 1.00 0.00 C ATOM 169 O VAL A 9 -2.220 1.645 7.998 1.00 0.00 O ATOM 170 CB VAL A 9 -2.714 1.227 5.015 1.00 0.00 C ATOM 171 CG1 VAL A 9 -2.314 2.625 4.524 1.00 0.00 C ATOM 172 CG2 VAL A 9 -2.982 0.331 3.796 1.00 0.00 C ATOM 0 H VAL A 9 -3.006 -0.904 6.212 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.700 0.557 5.338 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.621 1.299 5.616 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.103 3.027 3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.167 3.283 5.380 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.387 2.559 3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.758 0.781 3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.067 0.227 3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.311 -0.652 4.132 1.00 0.00 H new ATOM 182 N TYR A 10 -0.166 2.135 7.187 1.00 0.00 N ATOM 183 CA TYR A 10 0.256 3.032 8.260 1.00 0.00 C ATOM 184 C TYR A 10 0.534 4.431 7.713 1.00 0.00 C ATOM 185 O TYR A 10 0.688 4.603 6.504 1.00 0.00 O ATOM 186 CB TYR A 10 1.547 2.512 8.907 1.00 0.00 C ATOM 187 CG TYR A 10 1.622 1.016 9.113 1.00 0.00 C ATOM 188 CD1 TYR A 10 0.767 0.389 10.037 1.00 0.00 C ATOM 189 CD2 TYR A 10 2.592 0.261 8.429 1.00 0.00 C ATOM 190 CE1 TYR A 10 0.926 -0.978 10.320 1.00 0.00 C ATOM 191 CE2 TYR A 10 2.762 -1.101 8.726 1.00 0.00 C ATOM 192 CZ TYR A 10 1.955 -1.711 9.702 1.00 0.00 C ATOM 193 OH TYR A 10 2.179 -3.009 10.055 1.00 0.00 O ATOM 0 H TYR A 10 0.544 2.017 6.464 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.548 3.073 8.995 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.390 2.817 8.288 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.669 3.000 9.874 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.010 0.957 10.528 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.207 0.729 7.675 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.257 -1.467 11.013 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.511 -1.679 8.205 1.00 0.00 H new ATOM 0 HH TYR A 10 2.926 -3.367 9.530 1.00 0.00 H new ATOM 203 N SER A 11 0.712 5.395 8.623 1.00 0.00 N ATOM 204 CA SER A 11 1.416 6.642 8.346 1.00 0.00 C ATOM 205 C SER A 11 2.760 6.605 9.080 1.00 0.00 C ATOM 206 O SER A 11 2.817 6.208 10.243 1.00 0.00 O ATOM 207 CB SER A 11 0.580 7.860 8.743 1.00 0.00 C ATOM 208 OG SER A 11 0.263 7.878 10.113 1.00 0.00 O ATOM 0 H SER A 11 0.366 5.326 9.580 1.00 0.00 H new ATOM 0 HA SER A 11 1.591 6.738 7.274 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.126 8.769 8.489 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.342 7.868 8.161 1.00 0.00 H new ATOM 0 HG SER A 11 -0.070 8.766 10.360 1.00 0.00 H new ATOM 214 N ARG A 12 3.844 6.993 8.400 1.00 0.00 N ATOM 215 CA ARG A 12 5.184 7.010 8.973 1.00 0.00 C ATOM 216 C ARG A 12 5.307 8.173 9.958 1.00 0.00 C ATOM 217 O ARG A 12 5.705 7.982 11.105 1.00 0.00 O ATOM 218 CB ARG A 12 6.227 7.144 7.856 1.00 0.00 C ATOM 219 CG ARG A 12 7.613 6.680 8.313 1.00 0.00 C ATOM 220 CD ARG A 12 8.628 6.870 7.182 1.00 0.00 C ATOM 221 NE ARG A 12 9.935 6.293 7.522 1.00 0.00 N ATOM 222 CZ ARG A 12 10.260 4.993 7.407 1.00 0.00 C ATOM 223 NH1 ARG A 12 9.353 4.089 7.009 1.00 0.00 N ATOM 224 NH2 ARG A 12 11.507 4.599 7.697 1.00 0.00 N ATOM 0 H ARG A 12 3.810 7.305 7.430 1.00 0.00 H new ATOM 0 HA ARG A 12 5.362 6.076 9.506 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.913 6.556 6.993 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.280 8.183 7.531 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.924 7.246 9.191 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.576 5.631 8.607 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.250 6.404 6.272 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.743 7.933 6.971 1.00 0.00 H new ATOM 0 HE ARG A 12 10.652 6.928 7.873 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.402 4.384 6.789 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.614 3.107 6.926 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.200 5.283 8.002 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.764 3.615 7.613 1.00 0.00 H new ATOM 238 N HIS A 13 4.972 9.374 9.474 1.00 0.00 N ATOM 239 CA HIS A 13 5.058 10.637 10.192 1.00 0.00 C ATOM 240 C HIS A 13 3.639 11.179 10.393 1.00 0.00 C ATOM 241 O HIS A 13 2.750 10.837 9.612 1.00 0.00 O ATOM 242 CB HIS A 13 5.902 11.614 9.365 1.00 0.00 C ATOM 243 CG HIS A 13 7.271 11.105 8.988 1.00 0.00 C ATOM 244 ND1 HIS A 13 8.042 10.337 9.861 1.00 0.00 N ATOM 245 CD2 HIS A 13 7.970 11.280 7.823 1.00 0.00 C ATOM 246 CE1 HIS A 13 9.165 10.075 9.189 1.00 0.00 C ATOM 247 NE2 HIS A 13 9.171 10.617 7.960 1.00 0.00 N ATOM 0 H HIS A 13 4.617 9.490 8.525 1.00 0.00 H new ATOM 0 HA HIS A 13 5.528 10.504 11.166 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.358 11.861 8.453 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.017 12.540 9.928 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.641 11.835 6.957 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.980 9.491 9.590 1.00 0.00 H new ATOM 0 HE2 HIS A 13 9.916 10.551 7.266 1.00 0.00 H new ATOM 255 N PRO A 14 3.403 12.020 11.413 1.00 0.00 N ATOM 256 CA PRO A 14 2.092 12.595 11.668 1.00 0.00 C ATOM 257 C PRO A 14 1.755 13.597 10.562 1.00 0.00 C ATOM 258 O PRO A 14 2.605 14.391 10.166 1.00 0.00 O ATOM 259 CB PRO A 14 2.194 13.257 13.044 1.00 0.00 C ATOM 260 CG PRO A 14 3.673 13.623 13.152 1.00 0.00 C ATOM 261 CD PRO A 14 4.378 12.510 12.375 1.00 0.00 C ATOM 0 HA PRO A 14 1.292 11.855 11.667 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.556 14.138 13.114 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.889 12.578 13.840 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.876 14.603 12.721 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.002 13.657 14.190 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.268 12.888 11.872 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.703 11.712 13.043 1.00 0.00 H new ATOM 269 N ALA A 15 0.526 13.536 10.040 1.00 0.00 N ATOM 270 CA ALA A 15 0.110 14.343 8.905 1.00 0.00 C ATOM 271 C ALA A 15 0.005 15.821 9.281 1.00 0.00 C ATOM 272 O ALA A 15 -0.411 16.169 10.385 1.00 0.00 O ATOM 273 CB ALA A 15 -1.218 13.829 8.358 1.00 0.00 C ATOM 0 H ALA A 15 -0.205 12.922 10.399 1.00 0.00 H new ATOM 0 HA ALA A 15 0.869 14.256 8.128 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.522 14.440 7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.103 12.793 8.038 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.979 13.886 9.136 1.00 0.00 H new ATOM 279 N GLU A 16 0.390 16.676 8.331 1.00 0.00 N ATOM 280 CA GLU A 16 0.451 18.123 8.452 1.00 0.00 C ATOM 281 C GLU A 16 -0.014 18.679 7.108 1.00 0.00 C ATOM 282 O GLU A 16 0.639 18.435 6.093 1.00 0.00 O ATOM 283 CB GLU A 16 1.896 18.557 8.733 1.00 0.00 C ATOM 284 CG GLU A 16 2.426 18.131 10.108 1.00 0.00 C ATOM 285 CD GLU A 16 3.936 18.343 10.198 1.00 0.00 C ATOM 286 OE1 GLU A 16 4.346 19.518 10.312 1.00 0.00 O ATOM 287 OE2 GLU A 16 4.663 17.328 10.117 1.00 0.00 O ATOM 0 H GLU A 16 0.682 16.353 7.409 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.172 18.488 9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.544 18.141 7.962 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.960 19.642 8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.927 18.705 10.889 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.191 17.081 10.284 1.00 0.00 H new ATOM 294 N ASN A 17 -1.157 19.375 7.089 1.00 0.00 N ATOM 295 CA ASN A 17 -1.807 19.802 5.862 1.00 0.00 C ATOM 296 C ASN A 17 -0.897 20.740 5.066 1.00 0.00 C ATOM 297 O ASN A 17 -0.616 21.854 5.506 1.00 0.00 O ATOM 298 CB ASN A 17 -3.165 20.442 6.178 1.00 0.00 C ATOM 299 CG ASN A 17 -4.227 19.421 6.600 1.00 0.00 C ATOM 300 OD1 ASN A 17 -3.922 18.277 6.939 1.00 0.00 O ATOM 301 ND2 ASN A 17 -5.496 19.834 6.571 1.00 0.00 N ATOM 0 H ASN A 17 -1.654 19.655 7.935 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.993 18.931 5.234 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.038 21.175 6.974 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.518 20.983 5.300 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.246 19.195 6.834 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.715 20.788 6.285 1.00 0.00 H new ATOM 308 N GLY A 18 -0.428 20.273 3.901 1.00 0.00 N ATOM 309 CA GLY A 18 0.466 21.013 3.025 1.00 0.00 C ATOM 310 C GLY A 18 1.927 20.955 3.480 1.00 0.00 C ATOM 311 O GLY A 18 2.659 21.924 3.290 1.00 0.00 O ATOM 0 H GLY A 18 -0.670 19.350 3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.389 20.613 2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.145 22.054 2.982 1.00 0.00 H new ATOM 315 N LYS A 19 2.360 19.821 4.047 1.00 0.00 N ATOM 316 CA LYS A 19 3.744 19.569 4.430 1.00 0.00 C ATOM 317 C LYS A 19 4.047 18.083 4.305 1.00 0.00 C ATOM 318 O LYS A 19 3.340 17.235 4.847 1.00 0.00 O ATOM 319 CB LYS A 19 3.992 20.067 5.847 1.00 0.00 C ATOM 320 CG LYS A 19 5.418 19.901 6.407 1.00 0.00 C ATOM 321 CD LYS A 19 5.651 18.480 6.948 1.00 0.00 C ATOM 322 CE LYS A 19 6.881 18.348 7.848 1.00 0.00 C ATOM 323 NZ LYS A 19 6.917 17.022 8.492 1.00 0.00 N ATOM 0 H LYS A 19 1.739 19.039 4.254 1.00 0.00 H new ATOM 0 HA LYS A 19 4.413 20.112 3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.735 21.126 5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.304 19.548 6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.145 20.117 5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.584 20.626 7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.770 18.167 7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.755 17.795 6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.786 18.496 7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.865 19.127 8.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.823 16.902 8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.136 16.946 9.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.818 16.282 7.768 1.00 0.00 H new ATOM 337 N SER A 20 5.110 17.803 3.554 1.00 0.00 N ATOM 338 CA SER A 20 5.398 16.458 3.083 1.00 0.00 C ATOM 339 C SER A 20 5.823 15.534 4.226 1.00 0.00 C ATOM 340 O SER A 20 6.786 15.807 4.942 1.00 0.00 O ATOM 341 CB SER A 20 6.494 16.482 2.022 1.00 0.00 C ATOM 342 OG SER A 20 6.423 15.310 1.236 1.00 0.00 O ATOM 0 H SER A 20 5.791 18.502 3.258 1.00 0.00 H new ATOM 0 HA SER A 20 4.477 16.069 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.382 17.363 1.390 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.472 16.554 2.498 1.00 0.00 H new ATOM 0 HG SER A 20 5.656 15.369 0.629 1.00 0.00 H new ATOM 348 N ASN A 21 5.103 14.427 4.358 1.00 0.00 N ATOM 349 CA ASN A 21 5.292 13.383 5.353 1.00 0.00 C ATOM 350 C ASN A 21 5.669 12.086 4.623 1.00 0.00 C ATOM 351 O ASN A 21 6.286 12.162 3.563 1.00 0.00 O ATOM 352 CB ASN A 21 4.002 13.321 6.188 1.00 0.00 C ATOM 353 CG ASN A 21 3.985 14.440 7.230 1.00 0.00 C ATOM 354 OD1 ASN A 21 4.789 14.434 8.160 1.00 0.00 O ATOM 355 ND2 ASN A 21 3.087 15.412 7.079 1.00 0.00 N ATOM 0 H ASN A 21 4.323 14.223 3.733 1.00 0.00 H new ATOM 0 HA ASN A 21 6.109 13.572 6.049 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.134 13.411 5.535 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.929 12.353 6.684 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.052 16.182 7.747 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.434 15.386 6.296 1.00 0.00 H new ATOM 362 N PHE A 22 5.323 10.909 5.164 1.00 0.00 N ATOM 363 CA PHE A 22 5.539 9.621 4.514 1.00 0.00 C ATOM 364 C PHE A 22 4.375 8.682 4.831 1.00 0.00 C ATOM 365 O PHE A 22 4.019 8.506 5.993 1.00 0.00 O ATOM 366 CB PHE A 22 6.878 9.000 4.933 1.00 0.00 C ATOM 367 CG PHE A 22 7.986 9.114 3.908 1.00 0.00 C ATOM 368 CD1 PHE A 22 8.101 8.142 2.897 1.00 0.00 C ATOM 369 CD2 PHE A 22 8.950 10.134 4.010 1.00 0.00 C ATOM 370 CE1 PHE A 22 9.182 8.180 1.999 1.00 0.00 C ATOM 371 CE2 PHE A 22 10.042 10.160 3.123 1.00 0.00 C ATOM 372 CZ PHE A 22 10.162 9.179 2.123 1.00 0.00 C ATOM 0 H PHE A 22 4.879 10.831 6.079 1.00 0.00 H new ATOM 0 HA PHE A 22 5.582 9.779 3.436 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.208 9.475 5.857 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.718 7.945 5.157 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.357 7.364 2.811 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.852 10.896 4.769 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.259 7.442 1.214 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.789 10.935 3.210 1.00 0.00 H new ATOM 0 HZ PHE A 22 11.007 9.193 1.451 1.00 0.00 H new ATOM 382 N LEU A 23 3.784 8.107 3.778 1.00 0.00 N ATOM 383 CA LEU A 23 2.638 7.216 3.814 1.00 0.00 C ATOM 384 C LEU A 23 3.112 5.812 3.464 1.00 0.00 C ATOM 385 O LEU A 23 3.867 5.651 2.506 1.00 0.00 O ATOM 386 CB LEU A 23 1.613 7.720 2.797 1.00 0.00 C ATOM 387 CG LEU A 23 0.345 6.875 2.678 1.00 0.00 C ATOM 388 CD1 LEU A 23 -0.379 6.791 4.019 1.00 0.00 C ATOM 389 CD2 LEU A 23 -0.587 7.560 1.675 1.00 0.00 C ATOM 0 H LEU A 23 4.118 8.265 2.827 1.00 0.00 H new ATOM 0 HA LEU A 23 2.176 7.193 4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.329 8.737 3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.090 7.770 1.818 1.00 0.00 H new ATOM 0 HG LEU A 23 0.615 5.869 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.278 6.185 3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.278 6.335 4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.655 7.793 4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.502 6.976 1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.833 8.560 2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.090 7.632 0.707 1.00 0.00 H new ATOM 401 N ASN A 24 2.684 4.811 4.243 1.00 0.00 N ATOM 402 CA ASN A 24 3.173 3.448 4.122 1.00 0.00 C ATOM 403 C ASN A 24 2.024 2.492 3.816 1.00 0.00 C ATOM 404 O ASN A 24 1.300 2.101 4.729 1.00 0.00 O ATOM 405 CB ASN A 24 3.844 3.012 5.431 1.00 0.00 C ATOM 406 CG ASN A 24 4.959 3.923 5.936 1.00 0.00 C ATOM 407 OD1 ASN A 24 4.991 4.249 7.120 1.00 0.00 O ATOM 408 ND2 ASN A 24 5.883 4.324 5.063 1.00 0.00 N ATOM 0 H ASN A 24 1.985 4.933 4.976 1.00 0.00 H new ATOM 0 HA ASN A 24 3.896 3.418 3.307 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.079 2.941 6.204 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.252 2.011 5.293 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.650 4.922 5.371 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.823 4.033 4.087 1.00 0.00 H new ATOM 415 N CYS A 25 1.902 2.037 2.564 1.00 0.00 N ATOM 416 CA CYS A 25 1.147 0.823 2.301 1.00 0.00 C ATOM 417 C CYS A 25 2.084 -0.326 2.654 1.00 0.00 C ATOM 418 O CYS A 25 3.171 -0.417 2.088 1.00 0.00 O ATOM 419 CB CYS A 25 0.693 0.709 0.837 1.00 0.00 C ATOM 420 SG CYS A 25 0.030 2.215 0.080 1.00 0.00 S ATOM 0 H CYS A 25 2.307 2.483 1.741 1.00 0.00 H new ATOM 0 HA CYS A 25 0.230 0.815 2.891 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.542 0.372 0.241 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.069 -0.068 0.775 1.00 0.00 H new ATOM 425 N TYR A 26 1.686 -1.179 3.598 1.00 0.00 N ATOM 426 CA TYR A 26 2.383 -2.416 3.913 1.00 0.00 C ATOM 427 C TYR A 26 1.373 -3.530 3.662 1.00 0.00 C ATOM 428 O TYR A 26 0.226 -3.427 4.101 1.00 0.00 O ATOM 429 CB TYR A 26 2.881 -2.375 5.369 1.00 0.00 C ATOM 430 CG TYR A 26 3.815 -3.497 5.804 1.00 0.00 C ATOM 431 CD1 TYR A 26 3.394 -4.840 5.765 1.00 0.00 C ATOM 432 CD2 TYR A 26 5.061 -3.191 6.382 1.00 0.00 C ATOM 433 CE1 TYR A 26 4.229 -5.866 6.236 1.00 0.00 C ATOM 434 CE2 TYR A 26 5.909 -4.220 6.828 1.00 0.00 C ATOM 435 CZ TYR A 26 5.502 -5.561 6.738 1.00 0.00 C ATOM 436 OH TYR A 26 6.339 -6.558 7.147 1.00 0.00 O ATOM 0 H TYR A 26 0.857 -1.023 4.171 1.00 0.00 H new ATOM 0 HA TYR A 26 3.271 -2.575 3.301 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.393 -1.426 5.527 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.012 -2.382 6.026 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.419 -5.083 5.369 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.367 -2.160 6.484 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.890 -6.891 6.212 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.877 -3.978 7.241 1.00 0.00 H new ATOM 0 HH TYR A 26 6.665 -7.052 6.366 1.00 0.00 H new ATOM 446 N VAL A 27 1.789 -4.584 2.950 1.00 0.00 N ATOM 447 CA VAL A 27 0.977 -5.770 2.728 1.00 0.00 C ATOM 448 C VAL A 27 1.868 -6.981 2.978 1.00 0.00 C ATOM 449 O VAL A 27 3.041 -6.938 2.614 1.00 0.00 O ATOM 450 CB VAL A 27 0.415 -5.789 1.293 1.00 0.00 C ATOM 451 CG1 VAL A 27 -0.682 -6.849 1.149 1.00 0.00 C ATOM 452 CG2 VAL A 27 -0.193 -4.447 0.895 1.00 0.00 C ATOM 0 H VAL A 27 2.708 -4.631 2.511 1.00 0.00 H new ATOM 0 HA VAL A 27 0.121 -5.779 3.403 1.00 0.00 H new ATOM 0 HB VAL A 27 1.261 -6.014 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.062 -6.843 0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.270 -7.832 1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.495 -6.627 1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.576 -4.509 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.009 -4.201 1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.571 -3.671 0.949 1.00 0.00 H new ATOM 462 N SER A 28 1.320 -8.058 3.557 1.00 0.00 N ATOM 463 CA SER A 28 2.016 -9.333 3.673 1.00 0.00 C ATOM 464 C SER A 28 1.056 -10.522 3.617 1.00 0.00 C ATOM 465 O SER A 28 -0.117 -10.396 3.963 1.00 0.00 O ATOM 466 CB SER A 28 2.872 -9.379 4.951 1.00 0.00 C ATOM 467 OG SER A 28 2.065 -9.267 6.107 1.00 0.00 O ATOM 0 H SER A 28 0.381 -8.063 3.956 1.00 0.00 H new ATOM 0 HA SER A 28 2.679 -9.414 2.811 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.433 -10.313 4.984 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.602 -8.570 4.933 1.00 0.00 H new ATOM 0 HG SER A 28 2.632 -9.300 6.906 1.00 0.00 H new ATOM 473 N GLY A 29 1.584 -11.685 3.211 1.00 0.00 N ATOM 474 CA GLY A 29 0.978 -12.994 3.412 1.00 0.00 C ATOM 475 C GLY A 29 0.704 -13.785 2.130 1.00 0.00 C ATOM 476 O GLY A 29 0.084 -14.840 2.224 1.00 0.00 O ATOM 0 H GLY A 29 2.475 -11.734 2.717 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.632 -13.586 4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.038 -12.864 3.948 1.00 0.00 H new ATOM 480 N PHE A 30 1.098 -13.284 0.950 1.00 0.00 N ATOM 481 CA PHE A 30 0.381 -13.594 -0.288 1.00 0.00 C ATOM 482 C PHE A 30 1.272 -14.199 -1.386 1.00 0.00 C ATOM 483 O PHE A 30 2.030 -13.484 -2.028 1.00 0.00 O ATOM 484 CB PHE A 30 -0.357 -12.319 -0.736 1.00 0.00 C ATOM 485 CG PHE A 30 0.494 -11.076 -0.931 1.00 0.00 C ATOM 486 CD1 PHE A 30 1.148 -10.856 -2.156 1.00 0.00 C ATOM 487 CD2 PHE A 30 0.698 -10.176 0.129 1.00 0.00 C ATOM 488 CE1 PHE A 30 2.176 -9.915 -2.246 1.00 0.00 C ATOM 489 CE2 PHE A 30 1.653 -9.157 -0.001 1.00 0.00 C ATOM 490 CZ PHE A 30 2.406 -9.044 -1.175 1.00 0.00 C ATOM 0 H PHE A 30 1.902 -12.668 0.831 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.342 -14.386 -0.093 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.868 -12.533 -1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.127 -12.093 0.002 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.854 -11.417 -3.031 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.123 -10.268 1.038 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.788 -9.860 -3.134 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.808 -8.458 0.807 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.167 -8.282 -1.255 1.00 0.00 H new ATOM 500 N HIS A 31 1.158 -15.507 -1.660 1.00 0.00 N ATOM 501 CA HIS A 31 1.720 -16.113 -2.868 1.00 0.00 C ATOM 502 C HIS A 31 0.594 -16.195 -3.911 1.00 0.00 C ATOM 503 O HIS A 31 -0.548 -16.444 -3.526 1.00 0.00 O ATOM 504 CB HIS A 31 2.393 -17.465 -2.562 1.00 0.00 C ATOM 505 CG HIS A 31 1.555 -18.699 -2.792 1.00 0.00 C ATOM 506 ND1 HIS A 31 1.163 -19.531 -1.745 1.00 0.00 N ATOM 507 CD2 HIS A 31 1.127 -19.247 -3.971 1.00 0.00 C ATOM 508 CE1 HIS A 31 0.471 -20.514 -2.324 1.00 0.00 C ATOM 509 NE2 HIS A 31 0.427 -20.393 -3.660 1.00 0.00 N ATOM 0 H HIS A 31 0.676 -16.168 -1.052 1.00 0.00 H new ATOM 0 HA HIS A 31 2.524 -15.502 -3.277 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.293 -17.545 -3.172 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.714 -17.459 -1.520 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.305 -18.854 -4.961 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.001 -21.318 -1.778 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.033 -21.024 -4.316 1.00 0.00 H new ATOM 517 N PRO A 32 0.867 -15.990 -5.212 1.00 0.00 N ATOM 518 CA PRO A 32 2.180 -15.819 -5.823 1.00 0.00 C ATOM 519 C PRO A 32 2.689 -14.376 -5.685 1.00 0.00 C ATOM 520 O PRO A 32 2.128 -13.574 -4.943 1.00 0.00 O ATOM 521 CB PRO A 32 1.970 -16.231 -7.285 1.00 0.00 C ATOM 522 CG PRO A 32 0.553 -15.737 -7.553 1.00 0.00 C ATOM 523 CD PRO A 32 -0.158 -16.061 -6.242 1.00 0.00 C ATOM 0 HA PRO A 32 2.949 -16.421 -5.339 1.00 0.00 H new ATOM 0 HB2 PRO A 32 2.697 -15.764 -7.949 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.059 -17.309 -7.422 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.530 -14.670 -7.775 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.097 -16.249 -8.400 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.961 -15.350 -6.046 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.611 -17.052 -6.276 1.00 0.00 H new ATOM 531 N SER A 33 3.786 -14.060 -6.378 1.00 0.00 N ATOM 532 CA SER A 33 4.564 -12.849 -6.169 1.00 0.00 C ATOM 533 C SER A 33 3.940 -11.592 -6.785 1.00 0.00 C ATOM 534 O SER A 33 4.139 -10.500 -6.257 1.00 0.00 O ATOM 535 CB SER A 33 5.976 -13.089 -6.709 1.00 0.00 C ATOM 536 OG SER A 33 5.935 -13.437 -8.079 1.00 0.00 O ATOM 0 H SER A 33 4.162 -14.656 -7.115 1.00 0.00 H new ATOM 0 HA SER A 33 4.587 -12.647 -5.098 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.579 -12.191 -6.575 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.458 -13.885 -6.141 1.00 0.00 H new ATOM 0 HG SER A 33 6.847 -13.585 -8.406 1.00 0.00 H new ATOM 542 N ASP A 34 3.237 -11.730 -7.915 1.00 0.00 N ATOM 543 CA ASP A 34 2.817 -10.602 -8.738 1.00 0.00 C ATOM 544 C ASP A 34 1.613 -9.867 -8.134 1.00 0.00 C ATOM 545 O ASP A 34 0.485 -10.354 -8.196 1.00 0.00 O ATOM 546 CB ASP A 34 2.538 -11.096 -10.164 1.00 0.00 C ATOM 547 CG ASP A 34 1.988 -9.987 -11.057 1.00 0.00 C ATOM 548 OD1 ASP A 34 2.659 -8.935 -11.138 1.00 0.00 O ATOM 549 OD2 ASP A 34 0.906 -10.213 -11.642 1.00 0.00 O ATOM 0 H ASP A 34 2.944 -12.636 -8.282 1.00 0.00 H new ATOM 0 HA ASP A 34 3.623 -9.869 -8.772 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.458 -11.488 -10.598 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.825 -11.920 -10.129 1.00 0.00 H new ATOM 554 N ILE A 35 1.872 -8.687 -7.556 1.00 0.00 N ATOM 555 CA ILE A 35 0.875 -7.779 -6.999 1.00 0.00 C ATOM 556 C ILE A 35 1.159 -6.341 -7.433 1.00 0.00 C ATOM 557 O ILE A 35 2.303 -5.982 -7.707 1.00 0.00 O ATOM 558 CB ILE A 35 0.844 -7.914 -5.466 1.00 0.00 C ATOM 559 CG1 ILE A 35 -0.180 -7.014 -4.763 1.00 0.00 C ATOM 560 CG2 ILE A 35 2.199 -7.655 -4.841 1.00 0.00 C ATOM 561 CD1 ILE A 35 -0.507 -7.562 -3.371 1.00 0.00 C ATOM 0 H ILE A 35 2.823 -8.329 -7.463 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.110 -8.047 -7.382 1.00 0.00 H new ATOM 0 HB ILE A 35 0.541 -8.950 -5.313 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.214 -6.001 -4.679 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.090 -6.953 -5.360 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.127 -7.762 -3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.922 -8.373 -5.229 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.525 -6.644 -5.085 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.235 -6.912 -2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.922 -8.566 -3.463 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.403 -7.599 -2.772 1.00 0.00 H new ATOM 573 N GLU A 36 0.099 -5.528 -7.465 1.00 0.00 N ATOM 574 CA GLU A 36 0.117 -4.118 -7.815 1.00 0.00 C ATOM 575 C GLU A 36 -0.381 -3.282 -6.636 1.00 0.00 C ATOM 576 O GLU A 36 -1.449 -3.576 -6.094 1.00 0.00 O ATOM 577 CB GLU A 36 -0.796 -3.858 -9.012 1.00 0.00 C ATOM 578 CG GLU A 36 -0.678 -4.918 -10.103 1.00 0.00 C ATOM 579 CD GLU A 36 -1.460 -4.488 -11.341 1.00 0.00 C ATOM 580 OE1 GLU A 36 -1.062 -3.468 -11.945 1.00 0.00 O ATOM 581 OE2 GLU A 36 -2.493 -5.134 -11.624 1.00 0.00 O ATOM 0 H GLU A 36 -0.838 -5.859 -7.235 1.00 0.00 H new ATOM 0 HA GLU A 36 1.141 -3.841 -8.065 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.830 -3.813 -8.669 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.559 -2.882 -9.436 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.370 -5.070 -10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.058 -5.872 -9.737 1.00 0.00 H new ATOM 588 N VAL A 37 0.375 -2.241 -6.260 1.00 0.00 N ATOM 589 CA VAL A 37 0.028 -1.316 -5.186 1.00 0.00 C ATOM 590 C VAL A 37 0.450 0.096 -5.590 1.00 0.00 C ATOM 591 O VAL A 37 1.502 0.582 -5.175 1.00 0.00 O ATOM 592 CB VAL A 37 0.658 -1.785 -3.856 1.00 0.00 C ATOM 593 CG1 VAL A 37 0.384 -0.893 -2.635 1.00 0.00 C ATOM 594 CG2 VAL A 37 0.152 -3.188 -3.511 1.00 0.00 C ATOM 0 H VAL A 37 1.264 -2.019 -6.708 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.050 -1.300 -5.023 1.00 0.00 H new ATOM 0 HB VAL A 37 1.731 -1.747 -4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.873 -1.317 -1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.774 0.108 -2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.690 -0.836 -2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.599 -3.515 -2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.933 -3.169 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.430 -3.881 -4.306 1.00 0.00 H new ATOM 604 N ASP A 38 -0.389 0.755 -6.398 1.00 0.00 N ATOM 605 CA ASP A 38 -0.244 2.163 -6.734 1.00 0.00 C ATOM 606 C ASP A 38 -0.917 2.981 -5.637 1.00 0.00 C ATOM 607 O ASP A 38 -2.058 2.690 -5.278 1.00 0.00 O ATOM 608 CB ASP A 38 -0.904 2.489 -8.085 1.00 0.00 C ATOM 609 CG ASP A 38 -0.527 1.504 -9.189 1.00 0.00 C ATOM 610 OD1 ASP A 38 0.522 1.731 -9.829 1.00 0.00 O ATOM 611 OD2 ASP A 38 -1.308 0.546 -9.385 1.00 0.00 O ATOM 0 H ASP A 38 -1.196 0.313 -6.839 1.00 0.00 H new ATOM 0 HA ASP A 38 0.816 2.403 -6.813 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.987 2.491 -7.962 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.616 3.495 -8.390 1.00 0.00 H new ATOM 616 N LEU A 39 -0.245 4.016 -5.123 1.00 0.00 N ATOM 617 CA LEU A 39 -0.918 4.979 -4.267 1.00 0.00 C ATOM 618 C LEU A 39 -1.689 5.958 -5.148 1.00 0.00 C ATOM 619 O LEU A 39 -1.219 6.343 -6.219 1.00 0.00 O ATOM 620 CB LEU A 39 0.050 5.686 -3.318 1.00 0.00 C ATOM 621 CG LEU A 39 0.653 4.710 -2.297 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.091 4.342 -2.674 1.00 0.00 C ATOM 623 CD2 LEU A 39 0.601 5.343 -0.903 1.00 0.00 C ATOM 0 H LEU A 39 0.745 4.201 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.620 4.454 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.850 6.152 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.473 6.486 -2.793 1.00 0.00 H new ATOM 0 HG LEU A 39 0.069 3.789 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.495 3.650 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.100 3.870 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.703 5.244 -2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.028 4.654 -0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.173 6.271 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.435 5.555 -0.638 1.00 0.00 H new ATOM 635 N LEU A 40 -2.904 6.299 -4.712 1.00 0.00 N ATOM 636 CA LEU A 40 -3.908 6.953 -5.536 1.00 0.00 C ATOM 637 C LEU A 40 -4.635 7.975 -4.665 1.00 0.00 C ATOM 638 O LEU A 40 -5.241 7.588 -3.668 1.00 0.00 O ATOM 639 CB LEU A 40 -4.859 5.863 -6.059 1.00 0.00 C ATOM 640 CG LEU A 40 -5.626 6.194 -7.347 1.00 0.00 C ATOM 641 CD1 LEU A 40 -6.517 7.432 -7.204 1.00 0.00 C ATOM 642 CD2 LEU A 40 -4.671 6.336 -8.537 1.00 0.00 C ATOM 0 H LEU A 40 -3.218 6.122 -3.758 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.476 7.476 -6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.280 4.955 -6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.584 5.637 -5.277 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.291 5.352 -7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.035 7.618 -8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.249 7.264 -6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.902 8.296 -6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.242 6.570 -9.436 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.960 7.138 -8.339 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.131 5.401 -8.684 1.00 0.00 H new ATOM 654 N LYS A 41 -4.563 9.271 -5.001 1.00 0.00 N ATOM 655 CA LYS A 41 -5.167 10.304 -4.182 1.00 0.00 C ATOM 656 C LYS A 41 -6.665 10.445 -4.477 1.00 0.00 C ATOM 657 O LYS A 41 -7.384 9.451 -4.565 1.00 0.00 O ATOM 658 CB LYS A 41 -4.368 11.585 -4.397 1.00 0.00 C ATOM 659 CG LYS A 41 -2.874 11.352 -4.172 1.00 0.00 C ATOM 660 CD LYS A 41 -2.055 12.438 -4.852 1.00 0.00 C ATOM 661 CE LYS A 41 -2.622 13.811 -4.502 1.00 0.00 C ATOM 662 NZ LYS A 41 -1.752 14.926 -4.904 1.00 0.00 N ATOM 0 H LYS A 41 -4.090 9.618 -5.836 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.124 10.045 -3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.532 11.953 -5.410 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.725 12.357 -3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.659 11.342 -3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.590 10.375 -4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.014 12.373 -4.535 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.069 12.294 -5.932 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.593 13.927 -4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.791 13.862 -3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.128 15.816 -4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.792 14.768 -4.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.719 14.984 -5.942 1.00 0.00 H new ATOM 676 N ASN A 42 -7.124 11.686 -4.671 1.00 0.00 N ATOM 677 CA ASN A 42 -8.427 12.000 -5.246 1.00 0.00 C ATOM 678 C ASN A 42 -8.573 11.417 -6.659 1.00 0.00 C ATOM 679 O ASN A 42 -9.693 11.213 -7.124 1.00 0.00 O ATOM 680 CB ASN A 42 -8.623 13.523 -5.272 1.00 0.00 C ATOM 681 CG ASN A 42 -7.619 14.215 -6.197 1.00 0.00 C ATOM 682 OD1 ASN A 42 -7.873 14.363 -7.390 1.00 0.00 O ATOM 683 ND2 ASN A 42 -6.471 14.632 -5.658 1.00 0.00 N ATOM 0 H ASN A 42 -6.584 12.516 -4.425 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.197 11.545 -4.623 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.637 13.752 -5.601 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.518 13.919 -4.262 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.771 15.090 -6.241 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.294 14.492 -4.663 1.00 0.00 H new ATOM 690 N GLY A 43 -7.452 11.164 -7.344 1.00 0.00 N ATOM 691 CA GLY A 43 -7.436 10.670 -8.710 1.00 0.00 C ATOM 692 C GLY A 43 -6.005 10.417 -9.180 1.00 0.00 C ATOM 693 O GLY A 43 -5.729 9.399 -9.812 1.00 0.00 O ATOM 0 H GLY A 43 -6.521 11.301 -6.952 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.013 9.747 -8.774 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.917 11.393 -9.368 1.00 0.00 H new ATOM 697 N GLU A 44 -5.103 11.356 -8.874 1.00 0.00 N ATOM 698 CA GLU A 44 -3.723 11.358 -9.315 1.00 0.00 C ATOM 699 C GLU A 44 -2.993 10.109 -8.815 1.00 0.00 C ATOM 700 O GLU A 44 -3.019 9.820 -7.617 1.00 0.00 O ATOM 701 CB GLU A 44 -3.055 12.605 -8.738 1.00 0.00 C ATOM 702 CG GLU A 44 -3.607 13.933 -9.269 1.00 0.00 C ATOM 703 CD GLU A 44 -2.925 15.132 -8.607 1.00 0.00 C ATOM 704 OE1 GLU A 44 -2.092 14.907 -7.699 1.00 0.00 O ATOM 705 OE2 GLU A 44 -3.260 16.264 -9.015 1.00 0.00 O ATOM 0 H GLU A 44 -5.333 12.161 -8.291 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.682 11.359 -10.404 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.164 12.590 -7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.987 12.560 -8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.463 13.982 -10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.681 13.979 -9.089 1.00 0.00 H new ATOM 712 N ARG A 45 -2.331 9.390 -9.732 1.00 0.00 N ATOM 713 CA ARG A 45 -1.526 8.221 -9.410 1.00 0.00 C ATOM 714 C ARG A 45 -0.113 8.659 -9.045 1.00 0.00 C ATOM 715 O ARG A 45 0.521 9.412 -9.783 1.00 0.00 O ATOM 716 CB ARG A 45 -1.512 7.226 -10.577 1.00 0.00 C ATOM 717 CG ARG A 45 -0.786 5.940 -10.156 1.00 0.00 C ATOM 718 CD ARG A 45 -0.822 4.861 -11.240 1.00 0.00 C ATOM 719 NE ARG A 45 0.065 5.177 -12.369 1.00 0.00 N ATOM 720 CZ ARG A 45 0.418 4.297 -13.323 1.00 0.00 C ATOM 721 NH1 ARG A 45 -0.021 3.030 -13.288 1.00 0.00 N ATOM 722 NH2 ARG A 45 1.219 4.689 -14.321 1.00 0.00 N ATOM 0 H ARG A 45 -2.345 9.613 -10.727 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.968 7.712 -8.554 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.533 6.995 -10.882 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.014 7.670 -11.439 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.251 6.175 -9.917 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.243 5.551 -9.246 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.530 3.904 -10.807 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.843 4.748 -11.603 1.00 0.00 H new ATOM 0 HE ARG A 45 0.437 6.125 -12.433 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.631 2.722 -12.531 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.255 2.374 -14.019 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.558 5.650 -14.355 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.490 4.026 -15.047 1.00 0.00 H new ATOM 736 N ILE A 46 0.376 8.162 -7.908 1.00 0.00 N ATOM 737 CA ILE A 46 1.699 8.398 -7.401 1.00 0.00 C ATOM 738 C ILE A 46 2.575 7.253 -7.896 1.00 0.00 C ATOM 739 O ILE A 46 2.458 6.125 -7.416 1.00 0.00 O ATOM 740 CB ILE A 46 1.576 8.420 -5.879 1.00 0.00 C ATOM 741 CG1 ILE A 46 0.757 9.633 -5.410 1.00 0.00 C ATOM 742 CG2 ILE A 46 2.964 8.451 -5.258 1.00 0.00 C ATOM 743 CD1 ILE A 46 0.103 9.355 -4.059 1.00 0.00 C ATOM 0 H ILE A 46 -0.177 7.558 -7.299 1.00 0.00 H new ATOM 0 HA ILE A 46 2.144 9.336 -7.733 1.00 0.00 H new ATOM 0 HB ILE A 46 1.054 7.518 -5.558 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.404 10.507 -5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.009 9.868 -6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.876 8.467 -4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.520 7.565 -5.564 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.492 9.344 -5.592 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.471 10.227 -3.747 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.561 8.495 -4.146 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.874 9.144 -3.318 1.00 0.00 H new ATOM 755 N GLU A 47 3.448 7.555 -8.859 1.00 0.00 N ATOM 756 CA GLU A 47 4.402 6.607 -9.414 1.00 0.00 C ATOM 757 C GLU A 47 5.723 6.634 -8.635 1.00 0.00 C ATOM 758 O GLU A 47 6.482 5.668 -8.697 1.00 0.00 O ATOM 759 CB GLU A 47 4.585 6.894 -10.909 1.00 0.00 C ATOM 760 CG GLU A 47 3.260 6.655 -11.655 1.00 0.00 C ATOM 761 CD GLU A 47 3.340 6.981 -13.143 1.00 0.00 C ATOM 762 OE1 GLU A 47 4.467 6.981 -13.683 1.00 0.00 O ATOM 763 OE2 GLU A 47 2.252 7.201 -13.721 1.00 0.00 O ATOM 0 H GLU A 47 3.509 8.483 -9.279 1.00 0.00 H new ATOM 0 HA GLU A 47 4.017 5.592 -9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.913 7.924 -11.053 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.364 6.251 -11.319 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.965 5.613 -11.534 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.479 7.263 -11.198 1.00 0.00 H new ATOM 770 N LYS A 48 5.989 7.708 -7.873 1.00 0.00 N ATOM 771 CA LYS A 48 7.127 7.802 -6.970 1.00 0.00 C ATOM 772 C LYS A 48 6.848 6.969 -5.714 1.00 0.00 C ATOM 773 O LYS A 48 6.521 7.508 -4.656 1.00 0.00 O ATOM 774 CB LYS A 48 7.411 9.279 -6.650 1.00 0.00 C ATOM 775 CG LYS A 48 8.693 9.445 -5.820 1.00 0.00 C ATOM 776 CD LYS A 48 8.993 10.929 -5.578 1.00 0.00 C ATOM 777 CE LYS A 48 10.162 11.112 -4.602 1.00 0.00 C ATOM 778 NZ LYS A 48 11.426 10.582 -5.141 1.00 0.00 N ATOM 0 H LYS A 48 5.404 8.544 -7.874 1.00 0.00 H new ATOM 0 HA LYS A 48 8.024 7.396 -7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.504 9.841 -7.579 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.567 9.702 -6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.583 8.931 -4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.531 8.979 -6.339 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.229 11.413 -6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.105 11.421 -5.181 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.282 12.172 -4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.931 10.610 -3.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.194 10.758 -4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.333 9.559 -5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.645 11.055 -6.041 1.00 0.00 H new ATOM 792 N VAL A 49 6.983 5.646 -5.846 1.00 0.00 N ATOM 793 CA VAL A 49 6.856 4.690 -4.757 1.00 0.00 C ATOM 794 C VAL A 49 8.266 4.215 -4.399 1.00 0.00 C ATOM 795 O VAL A 49 8.903 3.500 -5.172 1.00 0.00 O ATOM 796 CB VAL A 49 5.927 3.532 -5.165 1.00 0.00 C ATOM 797 CG1 VAL A 49 5.658 2.624 -3.959 1.00 0.00 C ATOM 798 CG2 VAL A 49 4.580 4.050 -5.690 1.00 0.00 C ATOM 0 H VAL A 49 7.190 5.204 -6.742 1.00 0.00 H new ATOM 0 HA VAL A 49 6.399 5.147 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 49 6.429 2.977 -5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.000 1.808 -4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.600 2.215 -3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.182 3.202 -3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.949 3.206 -5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.085 4.631 -4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.748 4.681 -6.563 1.00 0.00 H new ATOM 808 N GLU A 50 8.747 4.628 -3.223 1.00 0.00 N ATOM 809 CA GLU A 50 10.061 4.326 -2.679 1.00 0.00 C ATOM 810 C GLU A 50 10.021 2.930 -2.054 1.00 0.00 C ATOM 811 O GLU A 50 10.230 2.773 -0.856 1.00 0.00 O ATOM 812 CB GLU A 50 10.404 5.418 -1.654 1.00 0.00 C ATOM 813 CG GLU A 50 11.874 5.430 -1.232 1.00 0.00 C ATOM 814 CD GLU A 50 12.144 6.597 -0.286 1.00 0.00 C ATOM 815 OE1 GLU A 50 12.330 7.719 -0.806 1.00 0.00 O ATOM 816 OE2 GLU A 50 12.142 6.354 0.941 1.00 0.00 O ATOM 0 H GLU A 50 8.195 5.213 -2.596 1.00 0.00 H new ATOM 0 HA GLU A 50 10.835 4.319 -3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.149 6.391 -2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.783 5.280 -0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.126 4.490 -0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.511 5.512 -2.112 1.00 0.00 H new ATOM 823 N HIS A 51 9.700 1.913 -2.859 1.00 0.00 N ATOM 824 CA HIS A 51 9.382 0.587 -2.351 1.00 0.00 C ATOM 825 C HIS A 51 10.611 -0.113 -1.769 1.00 0.00 C ATOM 826 O HIS A 51 11.743 0.163 -2.165 1.00 0.00 O ATOM 827 CB HIS A 51 8.739 -0.268 -3.455 1.00 0.00 C ATOM 828 CG HIS A 51 9.719 -0.771 -4.487 1.00 0.00 C ATOM 829 ND1 HIS A 51 10.423 -1.960 -4.296 1.00 0.00 N ATOM 830 CD2 HIS A 51 10.099 -0.221 -5.684 1.00 0.00 C ATOM 831 CE1 HIS A 51 11.218 -2.066 -5.363 1.00 0.00 C ATOM 832 NE2 HIS A 51 11.062 -1.049 -6.225 1.00 0.00 N ATOM 0 H HIS A 51 9.655 1.991 -3.875 1.00 0.00 H new ATOM 0 HA HIS A 51 8.667 0.709 -1.538 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.240 -1.121 -2.996 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.970 0.320 -3.955 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.717 0.689 -6.122 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.911 -2.880 -5.516 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.558 -0.914 -7.106 1.00 0.00 H new ATOM 840 N SER A 52 10.358 -1.059 -0.860 1.00 0.00 N ATOM 841 CA SER A 52 11.321 -2.056 -0.430 1.00 0.00 C ATOM 842 C SER A 52 11.151 -3.287 -1.320 1.00 0.00 C ATOM 843 O SER A 52 10.024 -3.657 -1.645 1.00 0.00 O ATOM 844 CB SER A 52 11.084 -2.400 1.044 1.00 0.00 C ATOM 845 OG SER A 52 12.004 -3.376 1.484 1.00 0.00 O ATOM 0 H SER A 52 9.454 -1.148 -0.396 1.00 0.00 H new ATOM 0 HA SER A 52 12.340 -1.680 -0.522 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.182 -1.501 1.652 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.066 -2.766 1.178 1.00 0.00 H new ATOM 0 HG SER A 52 11.837 -3.581 2.428 1.00 0.00 H new ATOM 851 N ASP A 53 12.266 -3.915 -1.711 1.00 0.00 N ATOM 852 CA ASP A 53 12.274 -5.102 -2.558 1.00 0.00 C ATOM 853 C ASP A 53 11.577 -6.277 -1.866 1.00 0.00 C ATOM 854 O ASP A 53 11.345 -6.247 -0.657 1.00 0.00 O ATOM 855 CB ASP A 53 13.721 -5.468 -2.915 1.00 0.00 C ATOM 856 CG ASP A 53 14.432 -4.328 -3.638 1.00 0.00 C ATOM 857 OD1 ASP A 53 14.954 -3.444 -2.924 1.00 0.00 O ATOM 858 OD2 ASP A 53 14.435 -4.360 -4.888 1.00 0.00 O ATOM 0 H ASP A 53 13.199 -3.604 -1.441 1.00 0.00 H new ATOM 0 HA ASP A 53 11.723 -4.883 -3.472 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.267 -5.719 -2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.726 -6.357 -3.545 1.00 0.00 H new ATOM 863 N LEU A 54 11.241 -7.314 -2.643 1.00 0.00 N ATOM 864 CA LEU A 54 10.518 -8.474 -2.143 1.00 0.00 C ATOM 865 C LEU A 54 11.338 -9.170 -1.052 1.00 0.00 C ATOM 866 O LEU A 54 12.431 -9.671 -1.310 1.00 0.00 O ATOM 867 CB LEU A 54 10.168 -9.427 -3.300 1.00 0.00 C ATOM 868 CG LEU A 54 9.016 -10.412 -3.010 1.00 0.00 C ATOM 869 CD1 LEU A 54 9.145 -11.183 -1.695 1.00 0.00 C ATOM 870 CD2 LEU A 54 7.646 -9.727 -3.083 1.00 0.00 C ATOM 0 H LEU A 54 11.466 -7.366 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 54 9.578 -8.151 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.905 -8.831 -4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.058 -10.000 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 54 9.096 -11.153 -3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.290 -11.849 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.064 -11.770 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.173 -10.480 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.863 -10.456 -2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.601 -8.924 -2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.498 -9.314 -4.081 1.00 0.00 H new ATOM 882 N SER A 55 10.776 -9.207 0.160 1.00 0.00 N ATOM 883 CA SER A 55 11.252 -9.984 1.291 1.00 0.00 C ATOM 884 C SER A 55 10.056 -10.802 1.763 1.00 0.00 C ATOM 885 O SER A 55 9.069 -10.216 2.190 1.00 0.00 O ATOM 886 CB SER A 55 11.749 -9.036 2.387 1.00 0.00 C ATOM 887 OG SER A 55 12.234 -9.778 3.487 1.00 0.00 O ATOM 0 H SER A 55 9.939 -8.669 0.382 1.00 0.00 H new ATOM 0 HA SER A 55 12.085 -10.636 1.030 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.538 -8.395 1.994 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.938 -8.382 2.708 1.00 0.00 H new ATOM 0 HG SER A 55 12.551 -9.164 4.182 1.00 0.00 H new ATOM 893 N PHE A 56 10.107 -12.132 1.625 1.00 0.00 N ATOM 894 CA PHE A 56 8.954 -13.000 1.852 1.00 0.00 C ATOM 895 C PHE A 56 8.907 -13.611 3.253 1.00 0.00 C ATOM 896 O PHE A 56 7.884 -14.194 3.611 1.00 0.00 O ATOM 897 CB PHE A 56 8.877 -14.086 0.767 1.00 0.00 C ATOM 898 CG PHE A 56 9.963 -15.139 0.800 1.00 0.00 C ATOM 899 CD1 PHE A 56 11.252 -14.848 0.319 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.671 -16.429 1.280 1.00 0.00 C ATOM 901 CE1 PHE A 56 12.281 -15.796 0.453 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.695 -17.384 1.399 1.00 0.00 C ATOM 903 CZ PHE A 56 12.005 -17.061 1.002 1.00 0.00 C ATOM 0 H PHE A 56 10.952 -12.634 1.352 1.00 0.00 H new ATOM 0 HA PHE A 56 8.072 -12.363 1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.912 -14.586 0.850 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.901 -13.599 -0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.451 -13.897 -0.153 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.659 -16.685 1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.284 -15.553 0.134 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.476 -18.365 1.795 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.799 -17.784 1.119 1.00 0.00 H new ATOM 913 N SER A 57 10.006 -13.497 4.012 1.00 0.00 N ATOM 914 CA SER A 57 10.330 -14.231 5.232 1.00 0.00 C ATOM 915 C SER A 57 10.377 -15.745 4.992 1.00 0.00 C ATOM 916 O SER A 57 9.604 -16.290 4.206 1.00 0.00 O ATOM 917 CB SER A 57 9.452 -13.884 6.443 1.00 0.00 C ATOM 918 OG SER A 57 8.149 -14.414 6.333 1.00 0.00 O ATOM 0 H SER A 57 10.744 -12.838 3.766 1.00 0.00 H new ATOM 0 HA SER A 57 11.331 -13.892 5.499 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.921 -14.266 7.350 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.393 -12.801 6.547 1.00 0.00 H new ATOM 0 HG SER A 57 7.868 -14.398 5.394 1.00 0.00 H new ATOM 924 N LYS A 58 11.240 -16.448 5.730 1.00 0.00 N ATOM 925 CA LYS A 58 11.260 -17.908 5.741 1.00 0.00 C ATOM 926 C LYS A 58 9.944 -18.507 6.247 1.00 0.00 C ATOM 927 O LYS A 58 9.724 -19.704 6.073 1.00 0.00 O ATOM 928 CB LYS A 58 12.465 -18.404 6.549 1.00 0.00 C ATOM 929 CG LYS A 58 13.777 -18.042 5.839 1.00 0.00 C ATOM 930 CD LYS A 58 14.981 -18.506 6.667 1.00 0.00 C ATOM 931 CE LYS A 58 16.289 -18.171 5.943 1.00 0.00 C ATOM 932 NZ LYS A 58 17.464 -18.550 6.747 1.00 0.00 N ATOM 0 H LYS A 58 11.942 -16.020 6.334 1.00 0.00 H new ATOM 0 HA LYS A 58 11.365 -18.253 4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.450 -17.961 7.545 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.402 -19.484 6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.805 -18.507 4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.828 -16.964 5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.965 -18.024 7.645 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.919 -19.580 6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.319 -18.691 4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 58 16.324 -17.103 5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.332 -18.309 6.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.447 -18.035 7.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.443 -19.573 6.931 1.00 0.00 H new ATOM 946 N ASP A 59 9.054 -17.682 6.817 1.00 0.00 N ATOM 947 CA ASP A 59 7.743 -18.102 7.275 1.00 0.00 C ATOM 948 C ASP A 59 6.693 -18.101 6.152 1.00 0.00 C ATOM 949 O ASP A 59 5.507 -18.239 6.445 1.00 0.00 O ATOM 950 CB ASP A 59 7.300 -17.200 8.437 1.00 0.00 C ATOM 951 CG ASP A 59 8.374 -17.079 9.516 1.00 0.00 C ATOM 952 OD1 ASP A 59 8.364 -17.933 10.430 1.00 0.00 O ATOM 953 OD2 ASP A 59 9.192 -16.139 9.399 1.00 0.00 O ATOM 0 H ASP A 59 9.238 -16.691 6.970 1.00 0.00 H new ATOM 0 HA ASP A 59 7.823 -19.134 7.616 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.059 -16.208 8.054 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.388 -17.601 8.878 1.00 0.00 H new ATOM 958 N TRP A 60 7.107 -17.966 4.880 1.00 0.00 N ATOM 959 CA TRP A 60 6.236 -18.073 3.710 1.00 0.00 C ATOM 960 C TRP A 60 5.086 -17.064 3.772 1.00 0.00 C ATOM 961 O TRP A 60 3.919 -17.441 3.664 1.00 0.00 O ATOM 962 CB TRP A 60 5.713 -19.510 3.558 1.00 0.00 C ATOM 963 CG TRP A 60 6.751 -20.577 3.423 1.00 0.00 C ATOM 964 CD1 TRP A 60 7.406 -21.174 4.444 1.00 0.00 C ATOM 965 CD2 TRP A 60 7.240 -21.220 2.210 1.00 0.00 C ATOM 966 NE1 TRP A 60 8.270 -22.131 3.955 1.00 0.00 N ATOM 967 CE2 TRP A 60 8.200 -22.208 2.578 1.00 0.00 C ATOM 968 CE3 TRP A 60 6.962 -21.077 0.833 1.00 0.00 C ATOM 969 CZ2 TRP A 60 8.849 -23.013 1.630 1.00 0.00 C ATOM 970 CZ3 TRP A 60 7.601 -21.885 -0.126 1.00 0.00 C ATOM 971 CH2 TRP A 60 8.541 -22.852 0.270 1.00 0.00 C ATOM 0 H TRP A 60 8.079 -17.775 4.638 1.00 0.00 H new ATOM 0 HA TRP A 60 6.827 -17.831 2.826 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.093 -19.743 4.423 1.00 0.00 H new ATOM 0 HB3 TRP A 60 5.065 -19.549 2.682 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.272 -20.936 5.489 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.881 -22.707 4.535 1.00 0.00 H new ATOM 0 HE3 TRP A 60 6.247 -20.335 0.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.577 -23.747 1.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 7.367 -21.761 -1.173 1.00 0.00 H new ATOM 0 HH2 TRP A 60 9.026 -23.470 -0.471 1.00 0.00 H new ATOM 982 N SER A 61 5.417 -15.782 3.959 1.00 0.00 N ATOM 983 CA SER A 61 4.437 -14.736 4.223 1.00 0.00 C ATOM 984 C SER A 61 4.520 -13.610 3.186 1.00 0.00 C ATOM 985 O SER A 61 4.209 -12.478 3.535 1.00 0.00 O ATOM 986 CB SER A 61 4.664 -14.221 5.654 1.00 0.00 C ATOM 987 OG SER A 61 3.565 -13.460 6.109 1.00 0.00 O ATOM 0 H SER A 61 6.379 -15.444 3.930 1.00 0.00 H new ATOM 0 HA SER A 61 3.429 -15.142 4.139 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.826 -15.065 6.324 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.567 -13.612 5.684 1.00 0.00 H new ATOM 0 HG SER A 61 3.328 -12.791 5.433 1.00 0.00 H new ATOM 993 N PHE A 62 4.917 -13.930 1.939 1.00 0.00 N ATOM 994 CA PHE A 62 5.250 -13.039 0.817 1.00 0.00 C ATOM 995 C PHE A 62 4.827 -11.578 1.007 1.00 0.00 C ATOM 996 O PHE A 62 3.631 -11.315 1.141 1.00 0.00 O ATOM 997 CB PHE A 62 4.655 -13.589 -0.485 1.00 0.00 C ATOM 998 CG PHE A 62 5.673 -13.846 -1.576 1.00 0.00 C ATOM 999 CD1 PHE A 62 6.499 -14.981 -1.510 1.00 0.00 C ATOM 1000 CD2 PHE A 62 5.860 -12.908 -2.608 1.00 0.00 C ATOM 1001 CE1 PHE A 62 7.518 -15.176 -2.456 1.00 0.00 C ATOM 1002 CE2 PHE A 62 6.887 -13.099 -3.546 1.00 0.00 C ATOM 1003 CZ PHE A 62 7.713 -14.232 -3.475 1.00 0.00 C ATOM 0 H PHE A 62 5.021 -14.908 1.670 1.00 0.00 H new ATOM 0 HA PHE A 62 6.339 -13.025 0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.131 -14.520 -0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.911 -12.884 -0.857 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.349 -15.708 -0.726 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.216 -12.044 -2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.150 -16.050 -2.399 1.00 0.00 H new ATOM 0 HE2 PHE A 62 7.043 -12.370 -4.327 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.497 -14.376 -4.204 1.00 0.00 H new ATOM 1013 N TYR A 63 5.784 -10.636 1.015 1.00 0.00 N ATOM 1014 CA TYR A 63 5.457 -9.246 1.300 1.00 0.00 C ATOM 1015 C TYR A 63 6.480 -8.298 0.691 1.00 0.00 C ATOM 1016 O TYR A 63 7.518 -8.710 0.177 1.00 0.00 O ATOM 1017 CB TYR A 63 5.429 -8.978 2.806 1.00 0.00 C ATOM 1018 CG TYR A 63 6.642 -9.338 3.614 1.00 0.00 C ATOM 1019 CD1 TYR A 63 6.845 -10.652 4.047 1.00 0.00 C ATOM 1020 CD2 TYR A 63 7.473 -8.307 4.081 1.00 0.00 C ATOM 1021 CE1 TYR A 63 7.853 -10.938 4.970 1.00 0.00 C ATOM 1022 CE2 TYR A 63 8.544 -8.607 4.936 1.00 0.00 C ATOM 1023 CZ TYR A 63 8.740 -9.927 5.380 1.00 0.00 C ATOM 1024 OH TYR A 63 9.785 -10.229 6.202 1.00 0.00 O ATOM 0 H TYR A 63 6.771 -10.815 0.830 1.00 0.00 H new ATOM 0 HA TYR A 63 4.473 -9.071 0.865 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.236 -7.915 2.951 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.579 -9.517 3.224 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.221 -11.447 3.667 1.00 0.00 H new ATOM 0 HD2 TYR A 63 7.288 -7.286 3.783 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.951 -11.937 5.369 1.00 0.00 H new ATOM 0 HE2 TYR A 63 9.218 -7.825 5.253 1.00 0.00 H new ATOM 0 HH TYR A 63 10.301 -9.417 6.388 1.00 0.00 H new ATOM 1034 N LEU A 64 6.163 -7.008 0.807 1.00 0.00 N ATOM 1035 CA LEU A 64 6.964 -5.876 0.370 1.00 0.00 C ATOM 1036 C LEU A 64 6.263 -4.614 0.868 1.00 0.00 C ATOM 1037 O LEU A 64 5.052 -4.625 1.086 1.00 0.00 O ATOM 1038 CB LEU A 64 7.224 -5.868 -1.156 1.00 0.00 C ATOM 1039 CG LEU A 64 6.010 -5.678 -2.080 1.00 0.00 C ATOM 1040 CD1 LEU A 64 6.370 -5.812 -3.567 1.00 0.00 C ATOM 1041 CD2 LEU A 64 4.919 -6.713 -1.840 1.00 0.00 C ATOM 0 H LEU A 64 5.286 -6.713 1.235 1.00 0.00 H new ATOM 0 HA LEU A 64 7.965 -5.939 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.939 -5.074 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.704 -6.810 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 64 5.663 -4.672 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.475 -5.669 -4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.111 -5.058 -3.831 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.779 -6.805 -3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.087 -6.529 -2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.319 -7.711 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.568 -6.640 -0.810 1.00 0.00 H new ATOM 1053 N LEU A 65 7.032 -3.549 1.102 1.00 0.00 N ATOM 1054 CA LEU A 65 6.549 -2.275 1.599 1.00 0.00 C ATOM 1055 C LEU A 65 6.537 -1.312 0.414 1.00 0.00 C ATOM 1056 O LEU A 65 7.504 -1.280 -0.344 1.00 0.00 O ATOM 1057 CB LEU A 65 7.497 -1.824 2.721 1.00 0.00 C ATOM 1058 CG LEU A 65 6.750 -1.257 3.928 1.00 0.00 C ATOM 1059 CD1 LEU A 65 7.725 -1.109 5.095 1.00 0.00 C ATOM 1060 CD2 LEU A 65 6.130 0.110 3.659 1.00 0.00 C ATOM 0 H LEU A 65 8.040 -3.558 0.943 1.00 0.00 H new ATOM 0 HA LEU A 65 5.542 -2.324 2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.106 -2.670 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.180 -1.068 2.333 1.00 0.00 H new ATOM 0 HG LEU A 65 5.943 -1.954 4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.199 -0.705 5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.142 -2.084 5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.531 -0.432 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.614 0.458 4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.914 0.819 3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.418 0.031 2.837 1.00 0.00 H new ATOM 1072 N TYR A 66 5.443 -0.561 0.233 1.00 0.00 N ATOM 1073 CA TYR A 66 5.213 0.263 -0.947 1.00 0.00 C ATOM 1074 C TYR A 66 4.808 1.668 -0.496 1.00 0.00 C ATOM 1075 O TYR A 66 3.635 1.927 -0.226 1.00 0.00 O ATOM 1076 CB TYR A 66 4.150 -0.376 -1.872 1.00 0.00 C ATOM 1077 CG TYR A 66 3.972 -1.891 -1.843 1.00 0.00 C ATOM 1078 CD1 TYR A 66 3.393 -2.495 -0.708 1.00 0.00 C ATOM 1079 CD2 TYR A 66 4.053 -2.633 -3.039 1.00 0.00 C ATOM 1080 CE1 TYR A 66 2.890 -3.798 -0.771 1.00 0.00 C ATOM 1081 CE2 TYR A 66 3.418 -3.885 -3.134 1.00 0.00 C ATOM 1082 CZ TYR A 66 2.784 -4.438 -2.009 1.00 0.00 C ATOM 1083 OH TYR A 66 2.051 -5.581 -2.111 1.00 0.00 O ATOM 0 H TYR A 66 4.686 -0.512 0.915 1.00 0.00 H new ATOM 0 HA TYR A 66 6.130 0.332 -1.532 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.187 0.075 -1.631 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.388 -0.090 -2.897 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.337 -1.945 0.220 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.602 -2.241 -3.882 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.585 -4.307 0.132 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.418 -4.421 -4.072 1.00 0.00 H new ATOM 0 HH TYR A 66 1.671 -5.647 -3.012 1.00 0.00 H new ATOM 1093 N TYR A 67 5.800 2.554 -0.350 1.00 0.00 N ATOM 1094 CA TYR A 67 5.642 3.770 0.432 1.00 0.00 C ATOM 1095 C TYR A 67 6.143 4.998 -0.298 1.00 0.00 C ATOM 1096 O TYR A 67 7.083 4.922 -1.080 1.00 0.00 O ATOM 1097 CB TYR A 67 6.383 3.631 1.755 1.00 0.00 C ATOM 1098 CG TYR A 67 7.826 3.174 1.692 1.00 0.00 C ATOM 1099 CD1 TYR A 67 8.141 1.816 1.511 1.00 0.00 C ATOM 1100 CD2 TYR A 67 8.847 4.091 1.982 1.00 0.00 C ATOM 1101 CE1 TYR A 67 9.460 1.368 1.680 1.00 0.00 C ATOM 1102 CE2 TYR A 67 10.162 3.642 2.181 1.00 0.00 C ATOM 1103 CZ TYR A 67 10.470 2.279 2.036 1.00 0.00 C ATOM 1104 OH TYR A 67 11.749 1.845 2.228 1.00 0.00 O ATOM 0 H TYR A 67 6.723 2.444 -0.769 1.00 0.00 H new ATOM 0 HA TYR A 67 4.574 3.904 0.606 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.355 4.596 2.261 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.832 2.927 2.379 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.365 1.115 1.241 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.621 5.145 2.052 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.699 0.325 1.537 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.938 4.345 2.446 1.00 0.00 H new ATOM 0 HH TYR A 67 12.320 2.605 2.468 1.00 0.00 H new ATOM 1114 N THR A 68 5.500 6.124 -0.006 1.00 0.00 N ATOM 1115 CA THR A 68 5.705 7.382 -0.724 1.00 0.00 C ATOM 1116 C THR A 68 5.811 8.548 0.258 1.00 0.00 C ATOM 1117 O THR A 68 5.354 8.436 1.394 1.00 0.00 O ATOM 1118 CB THR A 68 4.566 7.594 -1.731 1.00 0.00 C ATOM 1119 OG1 THR A 68 4.855 8.682 -2.583 1.00 0.00 O ATOM 1120 CG2 THR A 68 3.224 7.861 -1.047 1.00 0.00 C ATOM 0 H THR A 68 4.813 6.192 0.745 1.00 0.00 H new ATOM 0 HA THR A 68 6.644 7.334 -1.276 1.00 0.00 H new ATOM 0 HB THR A 68 4.486 6.670 -2.303 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.409 8.374 -3.330 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.452 8.004 -1.803 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.961 7.011 -0.417 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.301 8.758 -0.433 1.00 0.00 H new ATOM 1128 N GLU A 69 6.366 9.675 -0.199 1.00 0.00 N ATOM 1129 CA GLU A 69 6.475 10.911 0.561 1.00 0.00 C ATOM 1130 C GLU A 69 5.223 11.768 0.330 1.00 0.00 C ATOM 1131 O GLU A 69 5.248 12.722 -0.446 1.00 0.00 O ATOM 1132 CB GLU A 69 7.796 11.646 0.244 1.00 0.00 C ATOM 1133 CG GLU A 69 8.443 11.346 -1.119 1.00 0.00 C ATOM 1134 CD GLU A 69 7.557 11.703 -2.308 1.00 0.00 C ATOM 1135 OE1 GLU A 69 7.606 12.879 -2.726 1.00 0.00 O ATOM 1136 OE2 GLU A 69 6.874 10.779 -2.800 1.00 0.00 O ATOM 0 H GLU A 69 6.762 9.748 -1.136 1.00 0.00 H new ATOM 0 HA GLU A 69 6.518 10.687 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.612 12.719 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.517 11.402 1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.380 11.898 -1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.692 10.286 -1.168 1.00 0.00 H new ATOM 1143 N PHE A 70 4.114 11.419 0.998 1.00 0.00 N ATOM 1144 CA PHE A 70 2.818 12.044 0.751 1.00 0.00 C ATOM 1145 C PHE A 70 2.728 13.444 1.355 1.00 0.00 C ATOM 1146 O PHE A 70 3.152 13.672 2.484 1.00 0.00 O ATOM 1147 CB PHE A 70 1.657 11.185 1.273 1.00 0.00 C ATOM 1148 CG PHE A 70 1.293 11.392 2.729 1.00 0.00 C ATOM 1149 CD1 PHE A 70 2.192 10.984 3.721 1.00 0.00 C ATOM 1150 CD2 PHE A 70 0.128 12.096 3.091 1.00 0.00 C ATOM 1151 CE1 PHE A 70 1.863 11.117 5.078 1.00 0.00 C ATOM 1152 CE2 PHE A 70 -0.097 12.401 4.444 1.00 0.00 C ATOM 1153 CZ PHE A 70 0.739 11.868 5.440 1.00 0.00 C ATOM 0 H PHE A 70 4.096 10.699 1.720 1.00 0.00 H new ATOM 0 HA PHE A 70 2.731 12.129 -0.332 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.776 11.388 0.664 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.911 10.135 1.126 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.146 10.564 3.440 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.584 12.398 2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.471 10.645 5.836 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.916 13.048 4.720 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.514 12.038 6.483 1.00 0.00 H new ATOM 1163 N THR A 71 2.123 14.357 0.599 1.00 0.00 N ATOM 1164 CA THR A 71 1.841 15.723 1.014 1.00 0.00 C ATOM 1165 C THR A 71 0.322 15.911 1.008 1.00 0.00 C ATOM 1166 O THR A 71 -0.264 16.008 -0.070 1.00 0.00 O ATOM 1167 CB THR A 71 2.524 16.714 0.058 1.00 0.00 C ATOM 1168 OG1 THR A 71 3.864 16.341 -0.200 1.00 0.00 O ATOM 1169 CG2 THR A 71 2.485 18.130 0.646 1.00 0.00 C ATOM 0 H THR A 71 1.806 14.157 -0.350 1.00 0.00 H new ATOM 0 HA THR A 71 2.230 15.911 2.015 1.00 0.00 H new ATOM 0 HB THR A 71 1.977 16.697 -0.885 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.272 16.989 -0.812 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.972 18.823 -0.041 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.449 18.434 0.794 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.007 18.141 1.603 1.00 0.00 H new ATOM 1177 N PRO A 72 -0.342 15.949 2.173 1.00 0.00 N ATOM 1178 CA PRO A 72 -1.787 16.093 2.244 1.00 0.00 C ATOM 1179 C PRO A 72 -2.162 17.559 2.014 1.00 0.00 C ATOM 1180 O PRO A 72 -2.421 18.296 2.962 1.00 0.00 O ATOM 1181 CB PRO A 72 -2.162 15.591 3.639 1.00 0.00 C ATOM 1182 CG PRO A 72 -0.934 15.947 4.478 1.00 0.00 C ATOM 1183 CD PRO A 72 0.235 15.818 3.501 1.00 0.00 C ATOM 0 HA PRO A 72 -2.324 15.527 1.483 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.062 16.079 4.014 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.356 14.518 3.643 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.006 16.957 4.882 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.821 15.272 5.326 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.982 16.591 3.681 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.737 14.857 3.616 1.00 0.00 H new ATOM 1191 N THR A 73 -2.181 17.986 0.748 1.00 0.00 N ATOM 1192 CA THR A 73 -2.536 19.347 0.374 1.00 0.00 C ATOM 1193 C THR A 73 -4.039 19.553 0.565 1.00 0.00 C ATOM 1194 O THR A 73 -4.834 19.287 -0.333 1.00 0.00 O ATOM 1195 CB THR A 73 -2.086 19.656 -1.059 1.00 0.00 C ATOM 1196 OG1 THR A 73 -2.570 18.687 -1.961 1.00 0.00 O ATOM 1197 CG2 THR A 73 -0.559 19.699 -1.167 1.00 0.00 C ATOM 0 H THR A 73 -1.948 17.390 -0.046 1.00 0.00 H new ATOM 0 HA THR A 73 -2.013 20.050 1.023 1.00 0.00 H new ATOM 0 HB THR A 73 -2.495 20.634 -1.313 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.540 18.785 -2.057 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.273 19.920 -2.195 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.169 20.474 -0.507 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.146 18.733 -0.875 1.00 0.00 H new ATOM 1205 N GLU A 74 -4.404 20.021 1.762 1.00 0.00 N ATOM 1206 CA GLU A 74 -5.762 20.256 2.222 1.00 0.00 C ATOM 1207 C GLU A 74 -6.668 19.031 2.038 1.00 0.00 C ATOM 1208 O GLU A 74 -6.737 18.180 2.923 1.00 0.00 O ATOM 1209 CB GLU A 74 -6.354 21.523 1.585 1.00 0.00 C ATOM 1210 CG GLU A 74 -5.612 22.814 1.944 1.00 0.00 C ATOM 1211 CD GLU A 74 -6.375 24.031 1.422 1.00 0.00 C ATOM 1212 OE1 GLU A 74 -7.601 24.088 1.669 1.00 0.00 O ATOM 1213 OE2 GLU A 74 -5.723 24.881 0.777 1.00 0.00 O ATOM 0 H GLU A 74 -3.712 20.258 2.473 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.710 20.427 3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.352 21.406 0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.395 21.618 1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.497 22.886 3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.609 22.795 1.517 1.00 0.00 H new ATOM 1220 N LYS A 75 -7.394 18.974 0.914 1.00 0.00 N ATOM 1221 CA LYS A 75 -8.441 17.998 0.640 1.00 0.00 C ATOM 1222 C LYS A 75 -7.876 16.729 -0.010 1.00 0.00 C ATOM 1223 O LYS A 75 -8.600 15.740 -0.106 1.00 0.00 O ATOM 1224 CB LYS A 75 -9.516 18.632 -0.263 1.00 0.00 C ATOM 1225 CG LYS A 75 -10.497 19.567 0.465 1.00 0.00 C ATOM 1226 CD LYS A 75 -9.793 20.732 1.168 1.00 0.00 C ATOM 1227 CE LYS A 75 -10.766 21.802 1.668 1.00 0.00 C ATOM 1228 NZ LYS A 75 -10.047 22.891 2.358 1.00 0.00 N ATOM 0 H LYS A 75 -7.259 19.633 0.147 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.890 17.705 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.021 19.193 -1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.084 17.835 -0.744 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.216 19.962 -0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.062 18.993 1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.219 20.347 2.011 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.081 21.188 0.480 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.328 22.208 0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.489 21.352 2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.647 23.740 2.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.819 22.596 3.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.168 23.106 1.846 1.00 0.00 H new ATOM 1242 N ASP A 76 -6.611 16.743 -0.459 1.00 0.00 N ATOM 1243 CA ASP A 76 -5.989 15.593 -1.104 1.00 0.00 C ATOM 1244 C ASP A 76 -5.897 14.424 -0.121 1.00 0.00 C ATOM 1245 O ASP A 76 -5.038 14.414 0.761 1.00 0.00 O ATOM 1246 CB ASP A 76 -4.605 15.955 -1.654 1.00 0.00 C ATOM 1247 CG ASP A 76 -4.685 16.783 -2.934 1.00 0.00 C ATOM 1248 OD1 ASP A 76 -5.186 17.924 -2.849 1.00 0.00 O ATOM 1249 OD2 ASP A 76 -4.224 16.266 -3.975 1.00 0.00 O ATOM 0 H ASP A 76 -5.998 17.554 -0.382 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.611 15.290 -1.946 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.051 16.512 -0.898 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.045 15.041 -1.850 1.00 0.00 H new ATOM 1254 N GLU A 77 -6.797 13.448 -0.291 1.00 0.00 N ATOM 1255 CA GLU A 77 -6.940 12.270 0.547 1.00 0.00 C ATOM 1256 C GLU A 77 -6.329 11.077 -0.187 1.00 0.00 C ATOM 1257 O GLU A 77 -6.759 10.745 -1.291 1.00 0.00 O ATOM 1258 CB GLU A 77 -8.432 12.066 0.831 1.00 0.00 C ATOM 1259 CG GLU A 77 -8.693 10.878 1.762 1.00 0.00 C ATOM 1260 CD GLU A 77 -10.172 10.790 2.130 1.00 0.00 C ATOM 1261 OE1 GLU A 77 -10.994 10.787 1.189 1.00 0.00 O ATOM 1262 OE2 GLU A 77 -10.456 10.720 3.345 1.00 0.00 O ATOM 0 H GLU A 77 -7.473 13.467 -1.055 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.421 12.382 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.841 12.972 1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.960 11.910 -0.110 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.379 9.954 1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.094 10.981 2.667 1.00 0.00 H new ATOM 1269 N TYR A 78 -5.310 10.457 0.419 1.00 0.00 N ATOM 1270 CA TYR A 78 -4.522 9.396 -0.188 1.00 0.00 C ATOM 1271 C TYR A 78 -5.133 8.025 0.114 1.00 0.00 C ATOM 1272 O TYR A 78 -5.869 7.852 1.086 1.00 0.00 O ATOM 1273 CB TYR A 78 -3.054 9.486 0.257 1.00 0.00 C ATOM 1274 CG TYR A 78 -2.237 10.622 -0.338 1.00 0.00 C ATOM 1275 CD1 TYR A 78 -2.629 11.964 -0.163 1.00 0.00 C ATOM 1276 CD2 TYR A 78 -1.035 10.340 -1.016 1.00 0.00 C ATOM 1277 CE1 TYR A 78 -1.900 13.000 -0.769 1.00 0.00 C ATOM 1278 CE2 TYR A 78 -0.269 11.386 -1.559 1.00 0.00 C ATOM 1279 CZ TYR A 78 -0.714 12.714 -1.465 1.00 0.00 C ATOM 1280 OH TYR A 78 -0.002 13.718 -2.054 1.00 0.00 O ATOM 0 H TYR A 78 -5.009 10.689 1.366 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.539 9.524 -1.270 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.031 9.580 1.343 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.563 8.545 0.008 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.494 12.197 0.440 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.701 9.318 -1.119 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.252 14.019 -0.700 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.667 11.167 -2.051 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.013 14.509 -1.476 1.00 0.00 H new ATOM 1290 N ALA A 79 -4.817 7.051 -0.746 1.00 0.00 N ATOM 1291 CA ALA A 79 -5.254 5.669 -0.637 1.00 0.00 C ATOM 1292 C ALA A 79 -4.196 4.741 -1.229 1.00 0.00 C ATOM 1293 O ALA A 79 -3.303 5.189 -1.949 1.00 0.00 O ATOM 1294 CB ALA A 79 -6.587 5.484 -1.365 1.00 0.00 C ATOM 0 H ALA A 79 -4.229 7.217 -1.563 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.391 5.420 0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.908 4.446 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.339 6.134 -0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.465 5.740 -2.418 1.00 0.00 H new ATOM 1300 N CYS A 80 -4.327 3.447 -0.922 1.00 0.00 N ATOM 1301 CA CYS A 80 -3.474 2.363 -1.386 1.00 0.00 C ATOM 1302 C CYS A 80 -4.319 1.427 -2.249 1.00 0.00 C ATOM 1303 O CYS A 80 -5.210 0.762 -1.725 1.00 0.00 O ATOM 1304 CB CYS A 80 -2.931 1.583 -0.177 1.00 0.00 C ATOM 1305 SG CYS A 80 -1.815 2.482 0.931 1.00 0.00 S ATOM 0 H CYS A 80 -5.073 3.116 -0.310 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.638 2.762 -1.961 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.779 1.227 0.408 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.407 0.702 -0.547 1.00 0.00 H new ATOM 1310 N ARG A 81 -4.028 1.327 -3.553 1.00 0.00 N ATOM 1311 CA ARG A 81 -4.565 0.243 -4.367 1.00 0.00 C ATOM 1312 C ARG A 81 -3.993 -1.065 -3.814 1.00 0.00 C ATOM 1313 O ARG A 81 -2.816 -1.102 -3.475 1.00 0.00 O ATOM 1314 CB ARG A 81 -4.129 0.426 -5.828 1.00 0.00 C ATOM 1315 CG ARG A 81 -4.714 -0.633 -6.775 1.00 0.00 C ATOM 1316 CD ARG A 81 -4.009 -0.580 -8.132 1.00 0.00 C ATOM 1317 NE ARG A 81 -4.549 -1.594 -9.050 1.00 0.00 N ATOM 1318 CZ ARG A 81 -3.879 -2.134 -10.084 1.00 0.00 C ATOM 1319 NH1 ARG A 81 -2.694 -1.643 -10.472 1.00 0.00 N ATOM 1320 NH2 ARG A 81 -4.397 -3.190 -10.726 1.00 0.00 N ATOM 0 H ARG A 81 -3.429 1.980 -4.058 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.654 0.234 -4.333 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.433 1.416 -6.169 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.041 0.390 -5.882 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.600 -1.625 -6.337 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.783 -0.463 -6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.129 0.411 -8.569 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.940 -0.741 -7.996 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.505 -1.912 -8.891 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.286 -0.847 -9.981 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.200 -2.065 -11.258 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.293 -3.578 -10.430 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.896 -3.606 -11.511 1.00 0.00 H new ATOM 1334 N VAL A 82 -4.790 -2.134 -3.720 1.00 0.00 N ATOM 1335 CA VAL A 82 -4.288 -3.463 -3.422 1.00 0.00 C ATOM 1336 C VAL A 82 -4.888 -4.410 -4.456 1.00 0.00 C ATOM 1337 O VAL A 82 -6.094 -4.645 -4.443 1.00 0.00 O ATOM 1338 CB VAL A 82 -4.632 -3.855 -1.976 1.00 0.00 C ATOM 1339 CG1 VAL A 82 -4.087 -5.254 -1.683 1.00 0.00 C ATOM 1340 CG2 VAL A 82 -4.025 -2.865 -0.972 1.00 0.00 C ATOM 0 H VAL A 82 -5.801 -2.094 -3.850 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.201 -3.508 -3.487 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.717 -3.839 -1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.331 -5.532 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.537 -5.971 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.005 -5.257 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.286 -3.169 0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.940 -2.856 -1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.417 -1.866 -1.163 1.00 0.00 H new ATOM 1350 N ASN A 83 -4.051 -4.926 -5.365 1.00 0.00 N ATOM 1351 CA ASN A 83 -4.476 -5.805 -6.444 1.00 0.00 C ATOM 1352 C ASN A 83 -3.426 -6.899 -6.647 1.00 0.00 C ATOM 1353 O ASN A 83 -2.580 -6.808 -7.535 1.00 0.00 O ATOM 1354 CB ASN A 83 -4.717 -4.972 -7.707 1.00 0.00 C ATOM 1355 CG ASN A 83 -5.363 -5.799 -8.816 1.00 0.00 C ATOM 1356 OD1 ASN A 83 -6.586 -5.881 -8.899 1.00 0.00 O ATOM 1357 ND2 ASN A 83 -4.547 -6.397 -9.685 1.00 0.00 N ATOM 0 H ASN A 83 -3.048 -4.738 -5.365 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.415 -6.300 -6.197 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.357 -4.123 -7.466 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.769 -4.566 -8.061 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.934 -6.946 -10.453 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.536 -6.305 -9.582 1.00 0.00 H new ATOM 1364 N HIS A 84 -3.494 -7.941 -5.811 1.00 0.00 N ATOM 1365 CA HIS A 84 -2.734 -9.177 -5.963 1.00 0.00 C ATOM 1366 C HIS A 84 -3.311 -9.914 -7.183 1.00 0.00 C ATOM 1367 O HIS A 84 -4.483 -9.705 -7.503 1.00 0.00 O ATOM 1368 CB HIS A 84 -2.954 -9.990 -4.681 1.00 0.00 C ATOM 1369 CG HIS A 84 -2.124 -11.236 -4.537 1.00 0.00 C ATOM 1370 ND1 HIS A 84 -2.627 -12.331 -3.839 1.00 0.00 N ATOM 1371 CD2 HIS A 84 -0.847 -11.518 -4.945 1.00 0.00 C ATOM 1372 CE1 HIS A 84 -1.696 -13.276 -3.963 1.00 0.00 C ATOM 1373 NE2 HIS A 84 -0.604 -12.835 -4.608 1.00 0.00 N ATOM 0 H HIS A 84 -4.097 -7.943 -4.989 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.667 -9.011 -6.113 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.754 -9.344 -3.826 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.006 -10.271 -4.629 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.163 -10.841 -5.435 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.807 -14.282 -3.587 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.241 -13.369 -4.810 1.00 0.00 H new ATOM 1381 N VAL A 85 -2.536 -10.781 -7.855 1.00 0.00 N ATOM 1382 CA VAL A 85 -3.017 -11.579 -8.993 1.00 0.00 C ATOM 1383 C VAL A 85 -3.891 -12.746 -8.503 1.00 0.00 C ATOM 1384 O VAL A 85 -3.594 -13.921 -8.702 1.00 0.00 O ATOM 1385 CB VAL A 85 -1.828 -12.017 -9.871 1.00 0.00 C ATOM 1386 CG1 VAL A 85 -0.961 -13.100 -9.214 1.00 0.00 C ATOM 1387 CG2 VAL A 85 -2.290 -12.488 -11.256 1.00 0.00 C ATOM 0 H VAL A 85 -1.557 -10.948 -7.623 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.661 -10.971 -9.628 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.208 -11.128 -9.987 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.141 -13.365 -9.882 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.556 -12.722 -8.275 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.569 -13.983 -9.018 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.424 -12.789 -11.846 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.966 -13.336 -11.145 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.809 -11.674 -11.763 1.00 0.00 H new ATOM 1397 N THR A 86 -4.977 -12.414 -7.808 1.00 0.00 N ATOM 1398 CA THR A 86 -5.692 -13.323 -6.934 1.00 0.00 C ATOM 1399 C THR A 86 -6.941 -12.597 -6.425 1.00 0.00 C ATOM 1400 O THR A 86 -8.026 -13.175 -6.408 1.00 0.00 O ATOM 1401 CB THR A 86 -4.744 -13.784 -5.814 1.00 0.00 C ATOM 1402 OG1 THR A 86 -4.117 -15.000 -6.167 1.00 0.00 O ATOM 1403 CG2 THR A 86 -5.393 -13.945 -4.438 1.00 0.00 C ATOM 0 H THR A 86 -5.389 -11.481 -7.842 1.00 0.00 H new ATOM 0 HA THR A 86 -6.023 -14.225 -7.449 1.00 0.00 H new ATOM 0 HB THR A 86 -4.019 -12.975 -5.719 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.778 -14.939 -7.084 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.643 -14.273 -3.718 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.810 -12.990 -4.118 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.189 -14.687 -4.496 1.00 0.00 H new ATOM 1411 N LEU A 87 -6.798 -11.315 -6.052 1.00 0.00 N ATOM 1412 CA LEU A 87 -7.932 -10.430 -5.837 1.00 0.00 C ATOM 1413 C LEU A 87 -8.709 -10.296 -7.147 1.00 0.00 C ATOM 1414 O LEU A 87 -8.128 -9.975 -8.183 1.00 0.00 O ATOM 1415 CB LEU A 87 -7.452 -9.046 -5.371 1.00 0.00 C ATOM 1416 CG LEU A 87 -7.547 -8.840 -3.853 1.00 0.00 C ATOM 1417 CD1 LEU A 87 -6.731 -9.865 -3.065 1.00 0.00 C ATOM 1418 CD2 LEU A 87 -7.048 -7.433 -3.513 1.00 0.00 C ATOM 0 H LEU A 87 -5.892 -10.873 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.576 -10.849 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.417 -8.905 -5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.043 -8.279 -5.871 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.591 -8.970 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.836 -9.670 -1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.094 -10.868 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.681 -9.788 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.111 -7.275 -2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.012 -7.326 -3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.665 -6.695 -4.025 1.00 0.00 H new ATOM 1430 N SER A 88 -10.025 -10.525 -7.086 1.00 0.00 N ATOM 1431 CA SER A 88 -10.918 -10.393 -8.229 1.00 0.00 C ATOM 1432 C SER A 88 -11.184 -8.924 -8.588 1.00 0.00 C ATOM 1433 O SER A 88 -11.784 -8.661 -9.629 1.00 0.00 O ATOM 1434 CB SER A 88 -12.230 -11.128 -7.928 1.00 0.00 C ATOM 1435 OG SER A 88 -13.038 -11.182 -9.085 1.00 0.00 O ATOM 0 H SER A 88 -10.500 -10.810 -6.229 1.00 0.00 H new ATOM 0 HA SER A 88 -10.435 -10.842 -9.097 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.017 -12.138 -7.578 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.765 -10.619 -7.126 1.00 0.00 H new ATOM 0 HG SER A 88 -12.899 -10.372 -9.619 1.00 0.00 H new ATOM 1441 N GLN A 89 -10.771 -7.974 -7.737 1.00 0.00 N ATOM 1442 CA GLN A 89 -10.969 -6.551 -7.940 1.00 0.00 C ATOM 1443 C GLN A 89 -9.866 -5.779 -7.208 1.00 0.00 C ATOM 1444 O GLN A 89 -9.427 -6.223 -6.148 1.00 0.00 O ATOM 1445 CB GLN A 89 -12.364 -6.143 -7.445 1.00 0.00 C ATOM 1446 CG GLN A 89 -12.628 -6.543 -5.988 1.00 0.00 C ATOM 1447 CD GLN A 89 -13.999 -6.066 -5.516 1.00 0.00 C ATOM 1448 OE1 GLN A 89 -14.094 -5.164 -4.686 1.00 0.00 O ATOM 1449 NE2 GLN A 89 -15.066 -6.673 -6.038 1.00 0.00 N ATOM 0 H GLN A 89 -10.279 -8.190 -6.870 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.910 -6.312 -9.002 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.477 -5.063 -7.545 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.118 -6.603 -8.084 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.565 -7.627 -5.890 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.854 -6.120 -5.348 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.944 -7.417 -6.725 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -16.004 -6.393 -5.751 1.00 0.00 H new ATOM 1458 N PRO A 90 -9.415 -4.631 -7.737 1.00 0.00 N ATOM 1459 CA PRO A 90 -8.420 -3.800 -7.084 1.00 0.00 C ATOM 1460 C PRO A 90 -9.052 -3.129 -5.862 1.00 0.00 C ATOM 1461 O PRO A 90 -9.831 -2.187 -5.993 1.00 0.00 O ATOM 1462 CB PRO A 90 -7.978 -2.794 -8.151 1.00 0.00 C ATOM 1463 CG PRO A 90 -9.216 -2.645 -9.035 1.00 0.00 C ATOM 1464 CD PRO A 90 -9.828 -4.045 -9.003 1.00 0.00 C ATOM 0 HA PRO A 90 -7.559 -4.356 -6.714 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.684 -1.842 -7.708 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.122 -3.160 -8.718 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.903 -1.894 -8.645 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.955 -2.341 -10.049 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.915 -3.998 -9.076 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.478 -4.644 -9.844 1.00 0.00 H new ATOM 1472 N LYS A 91 -8.725 -3.639 -4.670 1.00 0.00 N ATOM 1473 CA LYS A 91 -9.253 -3.161 -3.404 1.00 0.00 C ATOM 1474 C LYS A 91 -8.524 -1.872 -3.032 1.00 0.00 C ATOM 1475 O LYS A 91 -7.389 -1.921 -2.564 1.00 0.00 O ATOM 1476 CB LYS A 91 -9.064 -4.258 -2.346 1.00 0.00 C ATOM 1477 CG LYS A 91 -9.688 -3.874 -0.997 1.00 0.00 C ATOM 1478 CD LYS A 91 -9.286 -4.847 0.119 1.00 0.00 C ATOM 1479 CE LYS A 91 -9.779 -6.276 -0.142 1.00 0.00 C ATOM 1480 NZ LYS A 91 -9.507 -7.158 1.007 1.00 0.00 N ATOM 0 H LYS A 91 -8.070 -4.414 -4.565 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.318 -2.941 -3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.513 -5.185 -2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.000 -4.451 -2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.377 -2.865 -0.728 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.774 -3.858 -1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.201 -4.853 0.218 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.691 -4.494 1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.850 -6.261 -0.346 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.291 -6.674 -1.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.852 -8.116 0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.483 -7.190 1.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.993 -6.791 1.850 1.00 0.00 H new ATOM 1494 N ILE A 92 -9.170 -0.720 -3.244 1.00 0.00 N ATOM 1495 CA ILE A 92 -8.570 0.573 -2.965 1.00 0.00 C ATOM 1496 C ILE A 92 -8.737 0.892 -1.474 1.00 0.00 C ATOM 1497 O ILE A 92 -9.703 1.540 -1.073 1.00 0.00 O ATOM 1498 CB ILE A 92 -9.149 1.662 -3.888 1.00 0.00 C ATOM 1499 CG1 ILE A 92 -9.331 1.227 -5.355 1.00 0.00 C ATOM 1500 CG2 ILE A 92 -8.229 2.886 -3.813 1.00 0.00 C ATOM 1501 CD1 ILE A 92 -8.057 0.701 -6.019 1.00 0.00 C ATOM 0 H ILE A 92 -10.120 -0.666 -3.613 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.502 0.544 -3.180 1.00 0.00 H new ATOM 0 HB ILE A 92 -10.155 1.886 -3.532 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.096 0.452 -5.400 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.702 2.075 -5.930 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.617 3.673 -4.459 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.187 3.247 -2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.227 2.609 -4.141 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.274 0.417 -7.049 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.294 1.479 -6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.694 -0.169 -5.472 1.00 0.00 H new ATOM 1513 N VAL A 93 -7.791 0.419 -0.655 1.00 0.00 N ATOM 1514 CA VAL A 93 -7.780 0.622 0.787 1.00 0.00 C ATOM 1515 C VAL A 93 -7.434 2.084 1.075 1.00 0.00 C ATOM 1516 O VAL A 93 -6.273 2.478 0.988 1.00 0.00 O ATOM 1517 CB VAL A 93 -6.778 -0.343 1.451 1.00 0.00 C ATOM 1518 CG1 VAL A 93 -6.766 -0.158 2.976 1.00 0.00 C ATOM 1519 CG2 VAL A 93 -7.126 -1.804 1.141 1.00 0.00 C ATOM 0 H VAL A 93 -6.997 -0.127 -0.990 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.763 0.407 1.207 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.794 -0.110 1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.051 -0.850 3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.478 0.865 3.216 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.761 -0.358 3.375 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.402 -2.461 1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.125 -2.028 1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.100 -1.963 0.063 1.00 0.00 H new ATOM 1529 N LYS A 94 -8.446 2.886 1.420 1.00 0.00 N ATOM 1530 CA LYS A 94 -8.272 4.289 1.759 1.00 0.00 C ATOM 1531 C LYS A 94 -7.491 4.427 3.064 1.00 0.00 C ATOM 1532 O LYS A 94 -7.744 3.700 4.023 1.00 0.00 O ATOM 1533 CB LYS A 94 -9.645 4.964 1.848 1.00 0.00 C ATOM 1534 CG LYS A 94 -9.527 6.472 2.117 1.00 0.00 C ATOM 1535 CD LYS A 94 -10.883 7.188 2.026 1.00 0.00 C ATOM 1536 CE LYS A 94 -11.182 7.757 0.632 1.00 0.00 C ATOM 1537 NZ LYS A 94 -11.368 6.714 -0.389 1.00 0.00 N ATOM 0 H LYS A 94 -9.415 2.570 1.470 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.694 4.787 0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.189 4.803 0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.227 4.498 2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.101 6.630 3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.836 6.914 1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.673 6.490 2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.906 7.999 2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.080 8.372 0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.364 8.411 0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.794 7.133 -1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.446 6.298 -0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.995 5.972 -0.017 1.00 0.00 H new ATOM 1551 N TRP A 95 -6.553 5.379 3.088 1.00 0.00 N ATOM 1552 CA TRP A 95 -5.818 5.753 4.282 1.00 0.00 C ATOM 1553 C TRP A 95 -6.607 6.850 4.995 1.00 0.00 C ATOM 1554 O TRP A 95 -6.745 7.952 4.467 1.00 0.00 O ATOM 1555 CB TRP A 95 -4.423 6.239 3.889 1.00 0.00 C ATOM 1556 CG TRP A 95 -3.637 6.835 5.009 1.00 0.00 C ATOM 1557 CD1 TRP A 95 -3.245 6.204 6.135 1.00 0.00 C ATOM 1558 CD2 TRP A 95 -3.180 8.207 5.139 1.00 0.00 C ATOM 1559 NE1 TRP A 95 -2.548 7.082 6.941 1.00 0.00 N ATOM 1560 CE2 TRP A 95 -2.528 8.352 6.396 1.00 0.00 C ATOM 1561 CE3 TRP A 95 -3.230 9.336 4.301 1.00 0.00 C ATOM 1562 CZ2 TRP A 95 -2.031 9.592 6.831 1.00 0.00 C ATOM 1563 CZ3 TRP A 95 -2.743 10.580 4.727 1.00 0.00 C ATOM 1564 CH2 TRP A 95 -2.219 10.720 6.021 1.00 0.00 C ATOM 0 H TRP A 95 -6.285 5.914 2.262 1.00 0.00 H new ATOM 0 HA TRP A 95 -5.697 4.902 4.952 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -3.863 5.400 3.475 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.520 6.980 3.096 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.446 5.169 6.370 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -2.105 6.827 7.824 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.651 9.243 3.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.512 9.675 7.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.771 11.429 4.060 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -1.960 11.700 6.394 1.00 0.00 H new ATOM 1575 N ASP A 96 -7.131 6.537 6.187 1.00 0.00 N ATOM 1576 CA ASP A 96 -8.053 7.395 6.928 1.00 0.00 C ATOM 1577 C ASP A 96 -7.327 8.202 8.012 1.00 0.00 C ATOM 1578 O ASP A 96 -7.881 8.488 9.070 1.00 0.00 O ATOM 1579 CB ASP A 96 -9.146 6.498 7.520 1.00 0.00 C ATOM 1580 CG ASP A 96 -10.321 7.278 8.109 1.00 0.00 C ATOM 1581 OD1 ASP A 96 -10.843 8.157 7.390 1.00 0.00 O ATOM 1582 OD2 ASP A 96 -10.688 6.968 9.264 1.00 0.00 O ATOM 0 H ASP A 96 -6.920 5.663 6.669 1.00 0.00 H new ATOM 0 HA ASP A 96 -8.499 8.132 6.260 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.517 5.829 6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.709 5.872 8.298 1.00 0.00 H new ATOM 1587 N ARG A 97 -6.074 8.569 7.732 1.00 0.00 N ATOM 1588 CA ARG A 97 -5.189 9.313 8.620 1.00 0.00 C ATOM 1589 C ARG A 97 -5.055 8.640 9.988 1.00 0.00 C ATOM 1590 O ARG A 97 -5.705 9.044 10.952 1.00 0.00 O ATOM 1591 CB ARG A 97 -5.589 10.795 8.692 1.00 0.00 C ATOM 1592 CG ARG A 97 -4.500 11.616 9.401 1.00 0.00 C ATOM 1593 CD ARG A 97 -4.805 13.117 9.394 1.00 0.00 C ATOM 1594 NE ARG A 97 -4.658 13.696 8.048 1.00 0.00 N ATOM 1595 CZ ARG A 97 -4.432 14.994 7.771 1.00 0.00 C ATOM 1596 NH1 ARG A 97 -4.304 15.906 8.745 1.00 0.00 N ATOM 1597 NH2 ARG A 97 -4.330 15.392 6.497 1.00 0.00 N ATOM 0 H ARG A 97 -5.633 8.344 6.840 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.186 9.295 8.194 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.748 11.184 7.686 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.534 10.897 9.226 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.402 11.272 10.431 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.541 11.440 8.914 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.821 13.284 9.753 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.135 13.628 10.085 1.00 0.00 H new ATOM 0 HE ARG A 97 -4.734 13.058 7.256 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.377 15.622 9.722 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.133 16.884 8.509 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -4.423 14.713 5.742 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.159 16.374 6.282 1.00 0.00 H new ATOM 1611 N ASP A 98 -4.172 7.636 10.073 1.00 0.00 N ATOM 1612 CA ASP A 98 -3.794 6.989 11.319 1.00 0.00 C ATOM 1613 C ASP A 98 -3.273 8.044 12.300 1.00 0.00 C ATOM 1614 O ASP A 98 -3.767 8.161 13.419 1.00 0.00 O ATOM 1615 CB ASP A 98 -2.721 5.930 11.031 1.00 0.00 C ATOM 1616 CG ASP A 98 -3.126 4.939 9.946 1.00 0.00 C ATOM 1617 OD1 ASP A 98 -4.075 4.167 10.196 1.00 0.00 O ATOM 1618 OD2 ASP A 98 -2.473 4.976 8.882 1.00 0.00 O ATOM 0 H ASP A 98 -3.696 7.250 9.258 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.658 6.497 11.767 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.799 6.429 10.732 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.504 5.384 11.949 1.00 0.00 H new ATOM 1623 N MET A 99 -2.303 8.838 11.833 1.00 0.00 N ATOM 1624 CA MET A 99 -1.845 10.072 12.451 1.00 0.00 C ATOM 1625 C MET A 99 -1.372 11.009 11.338 1.00 0.00 C ATOM 1626 O MET A 99 -1.531 12.235 11.516 1.00 0.00 O ATOM 1627 CB MET A 99 -0.750 9.809 13.498 1.00 0.00 C ATOM 1628 CG MET A 99 0.448 9.019 12.960 1.00 0.00 C ATOM 1629 SD MET A 99 1.806 8.810 14.138 1.00 0.00 S ATOM 1630 CE MET A 99 2.969 7.908 13.085 1.00 0.00 C ATOM 1631 OXT MET A 99 -0.864 10.486 10.320 1.00 0.00 O ATOM 0 H MET A 99 -1.797 8.621 10.974 1.00 0.00 H new ATOM 0 HA MET A 99 -2.662 10.543 12.997 1.00 0.00 H new ATOM 0 HB2 MET A 99 -0.397 10.764 13.888 1.00 0.00 H new ATOM 0 HB3 MET A 99 -1.185 9.264 14.335 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.104 8.034 12.644 1.00 0.00 H new ATOM 0 HG3 MET A 99 0.829 9.523 12.072 1.00 0.00 H new ATOM 0 HE1 MET A 99 3.876 7.690 13.648 1.00 0.00 H new ATOM 0 HE2 MET A 99 2.513 6.974 12.756 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.219 8.516 12.215 1.00 0.00 H new TER 1641 MET A 99