USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 606 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 72 LYS NZ :NH3+ -176:sc= 0.312 (180deg=0.276) USER MOD Set 1.2: A 83 HIS : no HE2:sc= -1.5 K(o=-1.2,f=-2.6!) USER MOD Set 2.1: A 79 THR OG1 : rot 123:sc= 0.816 USER MOD Set 2.2: A 81 SER OG : rot -173:sc= 0.502 USER MOD Set 3.1: A 45 SER OG : rot 180:sc= -0.419 USER MOD Set 3.2: A 49 GLN : amide:sc= 0 K(o=-0.42,f=-0.93) USER MOD Set 4.1: A 26 MET CE :methyl -156:sc= -0.598 (180deg=-1.09) USER MOD Set 4.2: A 86 HIS : no HE2:sc= -0.0391 K(o=-0.64,f=-3.1) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= 1.18 (180deg=-0.0741) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= 0.501 (180deg=0.414) USER MOD Single : A 32 THR OG1 : rot -56:sc= 1.87 USER MOD Single : A 34 LYS NZ :NH3+ -165:sc= -0.0796 (180deg=-0.339) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot -165:sc= -1.15 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= 1.78 (180deg=0.672) USER MOD Single : A 55 SER OG : rot -49:sc= 1.22 USER MOD Single : A 56 LYS NZ :NH3+ 152:sc= 0.62 (180deg=0.184) USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= 0.749 (180deg=0.639) USER MOD Single : A 60 SER OG : rot 70:sc= 0.611 USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 75 LYS NZ :NH3+ -175:sc=-3.29e-05 (180deg=-0.0485) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.0515 X(o=-0.052,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 173:sc=-0.00443 (180deg=-0.0589) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 25 -10.670 14.588 5.814 1.00 0.00 N ATOM 38 CA ILE A 25 -9.738 13.480 6.037 1.00 0.00 C ATOM 39 C ILE A 25 -9.040 13.131 4.689 1.00 0.00 C ATOM 40 O ILE A 25 -9.621 13.333 3.609 1.00 0.00 O ATOM 41 CB ILE A 25 -10.491 12.252 6.672 1.00 0.00 C ATOM 42 CG1 ILE A 25 -9.484 11.313 7.392 1.00 0.00 C ATOM 43 CG2 ILE A 25 -11.335 11.475 5.630 1.00 0.00 C ATOM 44 CD1 ILE A 25 -10.114 10.212 8.205 1.00 0.00 C ATOM 0 HA ILE A 25 -8.965 13.767 6.750 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.192 12.644 7.409 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.830 10.864 6.645 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.854 11.914 8.048 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.834 10.638 6.118 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.082 12.141 5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.683 11.099 4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.333 9.610 8.669 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.745 10.647 8.980 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.720 9.581 7.555 1.00 0.00 H new ATOM 56 N MET A 26 -7.805 12.618 4.750 1.00 0.00 N ATOM 57 CA MET A 26 -6.953 12.440 3.553 1.00 0.00 C ATOM 58 C MET A 26 -7.349 11.150 2.813 1.00 0.00 C ATOM 59 O MET A 26 -7.103 10.035 3.298 1.00 0.00 O ATOM 60 CB MET A 26 -5.448 12.403 3.961 1.00 0.00 C ATOM 61 CG MET A 26 -4.430 12.643 2.824 1.00 0.00 C ATOM 62 SD MET A 26 -3.711 14.308 2.854 1.00 0.00 S ATOM 63 CE MET A 26 -5.155 15.378 2.794 1.00 0.00 C ATOM 0 H MET A 26 -7.365 12.315 5.619 1.00 0.00 H new ATOM 0 HA MET A 26 -7.103 13.285 2.881 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.283 13.154 4.733 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.238 11.432 4.410 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.630 11.907 2.899 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.921 12.483 1.864 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.872 16.349 2.387 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.916 14.926 2.158 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.553 15.508 3.800 1.00 0.00 H new ATOM 73 N LYS A 27 -8.024 11.334 1.666 1.00 0.00 N ATOM 74 CA LYS A 27 -8.527 10.239 0.823 1.00 0.00 C ATOM 75 C LYS A 27 -7.427 9.745 -0.132 1.00 0.00 C ATOM 76 O LYS A 27 -7.254 10.276 -1.238 1.00 0.00 O ATOM 77 CB LYS A 27 -9.773 10.712 0.029 1.00 0.00 C ATOM 78 CG LYS A 27 -10.859 11.417 0.872 1.00 0.00 C ATOM 79 CD LYS A 27 -11.368 10.581 2.070 1.00 0.00 C ATOM 80 CE LYS A 27 -11.975 9.217 1.674 1.00 0.00 C ATOM 81 NZ LYS A 27 -13.124 9.350 0.738 1.00 0.00 N ATOM 0 H LYS A 27 -8.238 12.260 1.294 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.818 9.406 1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.447 11.393 -0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.221 9.848 -0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.460 12.360 1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.704 11.661 0.227 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.541 10.412 2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.119 11.158 2.609 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.204 8.601 1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.303 8.695 2.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.922 8.781 1.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.410 10.348 0.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.844 9.014 -0.206 1.00 0.00 H new ATOM 95 N VAL A 28 -6.673 8.745 0.324 1.00 0.00 N ATOM 96 CA VAL A 28 -5.538 8.186 -0.421 1.00 0.00 C ATOM 97 C VAL A 28 -6.012 6.967 -1.220 1.00 0.00 C ATOM 98 O VAL A 28 -6.314 5.922 -0.639 1.00 0.00 O ATOM 99 CB VAL A 28 -4.381 7.764 0.561 1.00 0.00 C ATOM 100 CG1 VAL A 28 -3.084 7.408 -0.207 1.00 0.00 C ATOM 101 CG2 VAL A 28 -4.142 8.859 1.628 1.00 0.00 C ATOM 0 H VAL A 28 -6.831 8.295 1.226 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.151 8.946 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.693 6.859 1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.308 7.122 0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.279 6.578 -0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.751 8.274 -0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.339 8.547 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.864 9.791 1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.055 9.011 2.204 1.00 0.00 H new ATOM 111 N THR A 29 -6.086 7.115 -2.548 1.00 0.00 N ATOM 112 CA THR A 29 -6.473 6.020 -3.444 1.00 0.00 C ATOM 113 C THR A 29 -5.228 5.183 -3.758 1.00 0.00 C ATOM 114 O THR A 29 -4.170 5.727 -4.048 1.00 0.00 O ATOM 115 CB THR A 29 -7.108 6.567 -4.763 1.00 0.00 C ATOM 116 OG1 THR A 29 -8.141 7.511 -4.446 1.00 0.00 O ATOM 117 CG2 THR A 29 -7.712 5.442 -5.627 1.00 0.00 C ATOM 0 H THR A 29 -5.881 7.991 -3.029 1.00 0.00 H new ATOM 0 HA THR A 29 -7.225 5.402 -2.952 1.00 0.00 H new ATOM 0 HB THR A 29 -6.311 7.044 -5.333 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.537 7.854 -5.275 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.142 5.870 -6.533 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.931 4.731 -5.896 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.491 4.929 -5.063 1.00 0.00 H new ATOM 125 N VAL A 30 -5.347 3.860 -3.630 1.00 0.00 N ATOM 126 CA VAL A 30 -4.227 2.928 -3.828 1.00 0.00 C ATOM 127 C VAL A 30 -4.576 1.974 -4.974 1.00 0.00 C ATOM 128 O VAL A 30 -5.524 1.188 -4.866 1.00 0.00 O ATOM 129 CB VAL A 30 -3.916 2.110 -2.513 1.00 0.00 C ATOM 130 CG1 VAL A 30 -2.642 1.255 -2.664 1.00 0.00 C ATOM 131 CG2 VAL A 30 -3.809 3.046 -1.288 1.00 0.00 C ATOM 0 H VAL A 30 -6.224 3.400 -3.385 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.333 3.500 -4.075 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.752 1.430 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.460 0.707 -1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.772 0.550 -3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.791 1.903 -2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.594 2.456 -0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.006 3.765 -1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.751 3.578 -1.153 1.00 0.00 H new ATOM 141 N LYS A 31 -3.818 2.078 -6.076 1.00 0.00 N ATOM 142 CA LYS A 31 -3.991 1.243 -7.272 1.00 0.00 C ATOM 143 C LYS A 31 -2.959 0.107 -7.227 1.00 0.00 C ATOM 144 O LYS A 31 -1.757 0.364 -7.090 1.00 0.00 O ATOM 145 CB LYS A 31 -3.833 2.126 -8.556 1.00 0.00 C ATOM 146 CG LYS A 31 -4.195 1.444 -9.914 1.00 0.00 C ATOM 147 CD LYS A 31 -3.067 0.563 -10.509 1.00 0.00 C ATOM 148 CE LYS A 31 -3.473 -0.129 -11.819 1.00 0.00 C ATOM 149 NZ LYS A 31 -4.559 -1.126 -11.628 1.00 0.00 N ATOM 0 H LYS A 31 -3.058 2.753 -6.162 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.988 0.804 -7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.458 3.012 -8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.800 2.469 -8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.083 0.829 -9.772 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.455 2.217 -10.637 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.187 1.181 -10.689 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.781 -0.194 -9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.798 0.624 -12.537 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.602 -0.624 -12.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.667 -1.692 -12.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.320 -1.752 -10.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.451 -0.632 -11.424 1.00 0.00 H new ATOM 163 N THR A 32 -3.438 -1.146 -7.334 1.00 0.00 N ATOM 164 CA THR A 32 -2.577 -2.341 -7.336 1.00 0.00 C ATOM 165 C THR A 32 -2.841 -3.170 -8.603 1.00 0.00 C ATOM 166 O THR A 32 -3.844 -2.943 -9.287 1.00 0.00 O ATOM 167 CB THR A 32 -2.809 -3.225 -6.051 1.00 0.00 C ATOM 168 OG1 THR A 32 -4.065 -3.909 -6.105 1.00 0.00 O ATOM 169 CG2 THR A 32 -2.758 -2.386 -4.785 1.00 0.00 C ATOM 0 H THR A 32 -4.432 -1.357 -7.421 1.00 0.00 H new ATOM 0 HA THR A 32 -1.539 -2.009 -7.327 1.00 0.00 H new ATOM 0 HB THR A 32 -2.003 -3.959 -6.028 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.788 -3.257 -6.222 1.00 0.00 H new ATOM 0 HG21 THR A 32 -2.922 -3.026 -3.918 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.782 -1.908 -4.704 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.534 -1.622 -4.824 1.00 0.00 H new ATOM 177 N PRO A 33 -1.936 -4.139 -8.946 1.00 0.00 N ATOM 178 CA PRO A 33 -2.178 -5.126 -10.040 1.00 0.00 C ATOM 179 C PRO A 33 -3.390 -6.074 -9.804 1.00 0.00 C ATOM 180 O PRO A 33 -3.716 -6.881 -10.678 1.00 0.00 O ATOM 181 CB PRO A 33 -0.849 -5.942 -10.059 1.00 0.00 C ATOM 182 CG PRO A 33 -0.252 -5.739 -8.703 1.00 0.00 C ATOM 183 CD PRO A 33 -0.569 -4.318 -8.360 1.00 0.00 C ATOM 0 HA PRO A 33 -2.430 -4.622 -10.973 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.037 -6.998 -10.254 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.179 -5.588 -10.842 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.680 -6.428 -7.974 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.824 -5.914 -8.713 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.564 -4.150 -7.283 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.152 -3.625 -8.794 1.00 0.00 H new ATOM 191 N LYS A 34 -4.021 -5.989 -8.617 1.00 0.00 N ATOM 192 CA LYS A 34 -5.039 -6.955 -8.152 1.00 0.00 C ATOM 193 C LYS A 34 -6.425 -6.294 -8.056 1.00 0.00 C ATOM 194 O LYS A 34 -7.413 -6.785 -8.610 1.00 0.00 O ATOM 195 CB LYS A 34 -4.586 -7.488 -6.765 1.00 0.00 C ATOM 196 CG LYS A 34 -3.180 -8.121 -6.795 1.00 0.00 C ATOM 197 CD LYS A 34 -2.666 -8.544 -5.410 1.00 0.00 C ATOM 198 CE LYS A 34 -1.325 -9.281 -5.490 1.00 0.00 C ATOM 199 NZ LYS A 34 -1.415 -10.505 -6.322 1.00 0.00 N ATOM 0 H LYS A 34 -3.838 -5.242 -7.947 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.127 -7.776 -8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.595 -6.669 -6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.305 -8.228 -6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.197 -8.993 -7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.479 -7.409 -7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.556 -7.661 -4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.404 -9.188 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.569 -8.615 -5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.997 -9.548 -4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.582 -11.103 -6.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.276 -11.032 -6.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.450 -10.240 -7.327 1.00 0.00 H new ATOM 213 N GLU A 35 -6.454 -5.164 -7.353 1.00 0.00 N ATOM 214 CA GLU A 35 -7.675 -4.422 -6.999 1.00 0.00 C ATOM 215 C GLU A 35 -7.292 -2.969 -6.663 1.00 0.00 C ATOM 216 O GLU A 35 -6.181 -2.527 -6.985 1.00 0.00 O ATOM 217 CB GLU A 35 -8.404 -5.124 -5.803 1.00 0.00 C ATOM 218 CG GLU A 35 -7.511 -5.402 -4.575 1.00 0.00 C ATOM 219 CD GLU A 35 -8.253 -6.057 -3.391 1.00 0.00 C ATOM 220 OE1 GLU A 35 -8.788 -5.324 -2.529 1.00 0.00 O ATOM 221 OE2 GLU A 35 -8.308 -7.309 -3.321 1.00 0.00 O ATOM 0 H GLU A 35 -5.606 -4.721 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.370 -4.412 -7.839 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.243 -4.502 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.820 -6.068 -6.153 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.688 -6.050 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.071 -4.463 -4.239 1.00 0.00 H new ATOM 228 N LYS A 36 -8.211 -2.215 -6.057 1.00 0.00 N ATOM 229 CA LYS A 36 -7.938 -0.838 -5.605 1.00 0.00 C ATOM 230 C LYS A 36 -8.846 -0.461 -4.432 1.00 0.00 C ATOM 231 O LYS A 36 -9.945 -1.011 -4.281 1.00 0.00 O ATOM 232 CB LYS A 36 -8.066 0.170 -6.794 1.00 0.00 C ATOM 233 CG LYS A 36 -9.429 0.158 -7.553 1.00 0.00 C ATOM 234 CD LYS A 36 -10.368 1.330 -7.174 1.00 0.00 C ATOM 235 CE LYS A 36 -9.777 2.700 -7.546 1.00 0.00 C ATOM 236 NZ LYS A 36 -10.704 3.822 -7.242 1.00 0.00 N ATOM 0 H LYS A 36 -9.161 -2.533 -5.864 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.910 -0.787 -5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.894 1.176 -6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.271 -0.040 -7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.237 0.191 -8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.939 -0.784 -7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.326 1.202 -7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.565 1.302 -6.102 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.843 2.848 -7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.535 2.711 -8.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.259 4.723 -7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.586 3.698 -7.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.916 3.831 -6.224 1.00 0.00 H new ATOM 250 N GLU A 37 -8.361 0.468 -3.594 1.00 0.00 N ATOM 251 CA GLU A 37 -9.089 0.961 -2.420 1.00 0.00 C ATOM 252 C GLU A 37 -8.634 2.381 -2.079 1.00 0.00 C ATOM 253 O GLU A 37 -7.435 2.669 -2.088 1.00 0.00 O ATOM 254 CB GLU A 37 -8.862 0.037 -1.195 1.00 0.00 C ATOM 255 CG GLU A 37 -9.563 0.511 0.095 1.00 0.00 C ATOM 256 CD GLU A 37 -11.094 0.529 -0.021 1.00 0.00 C ATOM 257 OE1 GLU A 37 -11.708 -0.555 -0.022 1.00 0.00 O ATOM 258 OE2 GLU A 37 -11.691 1.619 -0.095 1.00 0.00 O ATOM 0 H GLU A 37 -7.445 0.900 -3.715 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.152 0.965 -2.660 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.215 -0.965 -1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.791 -0.040 -1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.275 -0.142 0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.212 1.512 0.345 1.00 0.00 H new ATOM 265 N GLU A 38 -9.603 3.249 -1.761 1.00 0.00 N ATOM 266 CA GLU A 38 -9.343 4.606 -1.288 1.00 0.00 C ATOM 267 C GLU A 38 -9.526 4.635 0.235 1.00 0.00 C ATOM 268 O GLU A 38 -10.651 4.509 0.737 1.00 0.00 O ATOM 269 CB GLU A 38 -10.295 5.602 -1.982 1.00 0.00 C ATOM 270 CG GLU A 38 -10.073 7.075 -1.592 1.00 0.00 C ATOM 271 CD GLU A 38 -11.053 8.017 -2.298 1.00 0.00 C ATOM 272 OE1 GLU A 38 -10.815 8.371 -3.466 1.00 0.00 O ATOM 273 OE2 GLU A 38 -12.082 8.386 -1.705 1.00 0.00 O ATOM 0 H GLU A 38 -10.596 3.023 -1.827 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.323 4.901 -1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.179 5.504 -3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.323 5.328 -1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.182 7.183 -0.513 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.052 7.364 -1.840 1.00 0.00 H new ATOM 280 N PHE A 39 -8.412 4.773 0.949 1.00 0.00 N ATOM 281 CA PHE A 39 -8.388 4.827 2.412 1.00 0.00 C ATOM 282 C PHE A 39 -8.631 6.256 2.904 1.00 0.00 C ATOM 283 O PHE A 39 -8.303 7.228 2.218 1.00 0.00 O ATOM 284 CB PHE A 39 -7.030 4.322 2.947 1.00 0.00 C ATOM 285 CG PHE A 39 -6.742 2.862 2.627 1.00 0.00 C ATOM 286 CD1 PHE A 39 -6.134 2.498 1.430 1.00 0.00 C ATOM 287 CD2 PHE A 39 -7.087 1.855 3.528 1.00 0.00 C ATOM 288 CE1 PHE A 39 -5.876 1.178 1.143 1.00 0.00 C ATOM 289 CE2 PHE A 39 -6.828 0.535 3.238 1.00 0.00 C ATOM 290 CZ PHE A 39 -6.223 0.198 2.047 1.00 0.00 C ATOM 0 H PHE A 39 -7.488 4.852 0.525 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.184 4.183 2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.234 4.939 2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.004 4.458 4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.861 3.262 0.717 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.562 2.114 4.463 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.402 0.910 0.210 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.099 -0.236 3.944 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.020 -0.838 1.821 1.00 0.00 H new ATOM 300 N ALA A 40 -9.219 6.359 4.094 1.00 0.00 N ATOM 301 CA ALA A 40 -9.379 7.617 4.820 1.00 0.00 C ATOM 302 C ALA A 40 -8.438 7.604 6.032 1.00 0.00 C ATOM 303 O ALA A 40 -8.599 6.782 6.945 1.00 0.00 O ATOM 304 CB ALA A 40 -10.840 7.785 5.244 1.00 0.00 C ATOM 0 H ALA A 40 -9.605 5.555 4.590 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.121 8.464 4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.956 8.724 5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.477 7.795 4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.129 6.956 5.890 1.00 0.00 H new ATOM 310 N VAL A 41 -7.436 8.490 6.002 1.00 0.00 N ATOM 311 CA VAL A 41 -6.404 8.626 7.056 1.00 0.00 C ATOM 312 C VAL A 41 -6.265 10.120 7.381 1.00 0.00 C ATOM 313 O VAL A 41 -6.377 10.928 6.476 1.00 0.00 O ATOM 314 CB VAL A 41 -5.010 8.012 6.619 1.00 0.00 C ATOM 315 CG1 VAL A 41 -5.119 6.488 6.363 1.00 0.00 C ATOM 316 CG2 VAL A 41 -4.404 8.737 5.388 1.00 0.00 C ATOM 0 H VAL A 41 -7.310 9.149 5.233 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.715 8.065 7.937 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.326 8.170 7.453 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.146 6.099 6.065 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.446 5.988 7.275 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.842 6.303 5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.450 8.278 5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.088 8.653 4.543 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.248 9.789 5.626 1.00 0.00 H new ATOM 326 N PRO A 42 -6.063 10.543 8.661 1.00 0.00 N ATOM 327 CA PRO A 42 -6.071 11.991 9.037 1.00 0.00 C ATOM 328 C PRO A 42 -4.750 12.725 8.697 1.00 0.00 C ATOM 329 O PRO A 42 -4.364 13.648 9.414 1.00 0.00 O ATOM 330 CB PRO A 42 -6.328 11.919 10.562 1.00 0.00 C ATOM 331 CG PRO A 42 -5.647 10.656 10.993 1.00 0.00 C ATOM 332 CD PRO A 42 -5.827 9.673 9.848 1.00 0.00 C ATOM 0 HA PRO A 42 -6.812 12.570 8.486 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.917 12.788 11.076 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.395 11.892 10.785 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.590 10.831 11.194 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.087 10.269 11.912 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.944 9.048 9.716 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.668 9.003 10.026 1.00 0.00 H new ATOM 340 N GLU A 43 -4.077 12.298 7.588 1.00 0.00 N ATOM 341 CA GLU A 43 -2.738 12.772 7.112 1.00 0.00 C ATOM 342 C GLU A 43 -1.669 12.828 8.230 1.00 0.00 C ATOM 343 O GLU A 43 -0.621 13.477 8.089 1.00 0.00 O ATOM 344 CB GLU A 43 -2.837 14.114 6.312 1.00 0.00 C ATOM 345 CG GLU A 43 -3.223 15.365 7.117 1.00 0.00 C ATOM 346 CD GLU A 43 -3.286 16.631 6.256 1.00 0.00 C ATOM 347 OE1 GLU A 43 -2.223 17.232 5.986 1.00 0.00 O ATOM 348 OE2 GLU A 43 -4.392 17.022 5.835 1.00 0.00 O ATOM 0 H GLU A 43 -4.468 11.584 6.974 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.387 12.011 6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.874 14.299 5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.568 13.983 5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.193 15.203 7.588 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.500 15.513 7.919 1.00 0.00 H new ATOM 355 N ASN A 44 -1.932 12.075 9.308 1.00 0.00 N ATOM 356 CA ASN A 44 -1.041 11.914 10.458 1.00 0.00 C ATOM 357 C ASN A 44 -0.525 10.461 10.463 1.00 0.00 C ATOM 358 O ASN A 44 0.475 10.145 11.115 1.00 0.00 O ATOM 359 CB ASN A 44 -1.816 12.249 11.764 1.00 0.00 C ATOM 360 CG ASN A 44 -0.920 12.362 13.007 1.00 0.00 C ATOM 361 OD1 ASN A 44 -0.643 11.374 13.684 1.00 0.00 O ATOM 362 ND2 ASN A 44 -0.474 13.568 13.326 1.00 0.00 N ATOM 0 H ASN A 44 -2.799 11.546 9.403 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.191 12.593 10.395 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.351 13.189 11.627 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.566 11.478 11.938 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.114 13.693 14.150 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.718 14.372 12.747 1.00 0.00 H new ATOM 369 N SER A 45 -1.256 9.578 9.736 1.00 0.00 N ATOM 370 CA SER A 45 -0.831 8.204 9.467 1.00 0.00 C ATOM 371 C SER A 45 0.354 8.200 8.479 1.00 0.00 C ATOM 372 O SER A 45 0.231 8.683 7.341 1.00 0.00 O ATOM 373 CB SER A 45 -2.013 7.397 8.880 1.00 0.00 C ATOM 374 OG SER A 45 -3.166 7.506 9.696 1.00 0.00 O ATOM 0 H SER A 45 -2.159 9.812 9.324 1.00 0.00 H new ATOM 0 HA SER A 45 -0.511 7.741 10.400 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.240 7.757 7.877 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.729 6.349 8.786 1.00 0.00 H new ATOM 0 HG SER A 45 -3.897 6.987 9.300 1.00 0.00 H new ATOM 380 N SER A 46 1.502 7.694 8.949 1.00 0.00 N ATOM 381 CA SER A 46 2.693 7.466 8.116 1.00 0.00 C ATOM 382 C SER A 46 2.482 6.260 7.191 1.00 0.00 C ATOM 383 O SER A 46 1.481 5.557 7.325 1.00 0.00 O ATOM 384 CB SER A 46 3.914 7.236 9.040 1.00 0.00 C ATOM 385 OG SER A 46 3.647 6.223 9.997 1.00 0.00 O ATOM 0 H SER A 46 1.632 7.429 9.925 1.00 0.00 H new ATOM 0 HA SER A 46 2.871 8.339 7.488 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.780 6.955 8.440 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.168 8.165 9.550 1.00 0.00 H new ATOM 0 HG SER A 46 4.322 6.257 10.707 1.00 0.00 H new ATOM 391 N VAL A 47 3.437 6.011 6.266 1.00 0.00 N ATOM 392 CA VAL A 47 3.449 4.770 5.453 1.00 0.00 C ATOM 393 C VAL A 47 3.544 3.533 6.392 1.00 0.00 C ATOM 394 O VAL A 47 2.927 2.497 6.135 1.00 0.00 O ATOM 395 CB VAL A 47 4.620 4.794 4.395 1.00 0.00 C ATOM 396 CG1 VAL A 47 4.792 3.435 3.664 1.00 0.00 C ATOM 397 CG2 VAL A 47 4.412 5.944 3.375 1.00 0.00 C ATOM 0 H VAL A 47 4.207 6.649 6.063 1.00 0.00 H new ATOM 0 HA VAL A 47 2.518 4.704 4.890 1.00 0.00 H new ATOM 0 HB VAL A 47 5.542 4.974 4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.611 3.508 2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.016 2.656 4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.871 3.186 3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.230 5.943 2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.467 5.800 2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.393 6.898 3.901 1.00 0.00 H new ATOM 407 N GLN A 48 4.277 3.714 7.515 1.00 0.00 N ATOM 408 CA GLN A 48 4.356 2.763 8.648 1.00 0.00 C ATOM 409 C GLN A 48 2.956 2.379 9.183 1.00 0.00 C ATOM 410 O GLN A 48 2.702 1.220 9.475 1.00 0.00 O ATOM 411 CB GLN A 48 5.199 3.395 9.795 1.00 0.00 C ATOM 412 CG GLN A 48 5.510 2.473 11.004 1.00 0.00 C ATOM 413 CD GLN A 48 6.397 1.268 10.668 1.00 0.00 C ATOM 414 OE1 GLN A 48 7.202 1.304 9.742 1.00 0.00 O ATOM 415 NE2 GLN A 48 6.283 0.203 11.443 1.00 0.00 N ATOM 0 H GLN A 48 4.845 4.548 7.662 1.00 0.00 H new ATOM 0 HA GLN A 48 4.831 1.851 8.286 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.144 3.741 9.376 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.672 4.276 10.162 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.998 3.063 11.780 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.570 2.112 11.422 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.606 0.198 12.206 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.872 -0.613 11.278 1.00 0.00 H new ATOM 424 N GLN A 49 2.059 3.366 9.308 1.00 0.00 N ATOM 425 CA GLN A 49 0.691 3.146 9.836 1.00 0.00 C ATOM 426 C GLN A 49 -0.307 2.822 8.699 1.00 0.00 C ATOM 427 O GLN A 49 -1.381 2.253 8.933 1.00 0.00 O ATOM 428 CB GLN A 49 0.236 4.401 10.630 1.00 0.00 C ATOM 429 CG GLN A 49 -1.075 4.223 11.433 1.00 0.00 C ATOM 430 CD GLN A 49 -1.481 5.454 12.244 1.00 0.00 C ATOM 431 OE1 GLN A 49 -0.641 6.242 12.661 1.00 0.00 O ATOM 432 NE2 GLN A 49 -2.766 5.610 12.498 1.00 0.00 N ATOM 0 H GLN A 49 2.251 4.334 9.051 1.00 0.00 H new ATOM 0 HA GLN A 49 0.709 2.285 10.504 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.031 4.685 11.319 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.108 5.228 9.932 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.881 3.974 10.742 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.962 3.376 12.110 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.443 4.937 12.137 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.083 6.403 13.055 1.00 0.00 H new ATOM 441 N PHE A 50 0.078 3.156 7.461 1.00 0.00 N ATOM 442 CA PHE A 50 -0.822 3.102 6.296 1.00 0.00 C ATOM 443 C PHE A 50 -0.927 1.681 5.734 1.00 0.00 C ATOM 444 O PHE A 50 -2.038 1.185 5.491 1.00 0.00 O ATOM 445 CB PHE A 50 -0.349 4.089 5.203 1.00 0.00 C ATOM 446 CG PHE A 50 -1.305 4.222 4.021 1.00 0.00 C ATOM 447 CD1 PHE A 50 -2.611 4.667 4.219 1.00 0.00 C ATOM 448 CD2 PHE A 50 -0.903 3.916 2.724 1.00 0.00 C ATOM 449 CE1 PHE A 50 -3.477 4.803 3.162 1.00 0.00 C ATOM 450 CE2 PHE A 50 -1.776 4.052 1.665 1.00 0.00 C ATOM 451 CZ PHE A 50 -3.062 4.493 1.886 1.00 0.00 C ATOM 0 H PHE A 50 1.021 3.472 7.236 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.817 3.399 6.628 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.208 5.071 5.654 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.624 3.765 4.834 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.946 4.908 5.217 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.104 3.568 2.545 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.484 5.153 3.332 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.451 3.813 0.663 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.746 4.596 1.057 1.00 0.00 H new ATOM 461 N LYS A 51 0.239 1.025 5.543 1.00 0.00 N ATOM 462 CA LYS A 51 0.301 -0.331 4.952 1.00 0.00 C ATOM 463 C LYS A 51 -0.315 -1.383 5.911 1.00 0.00 C ATOM 464 O LYS A 51 -0.651 -2.494 5.503 1.00 0.00 O ATOM 465 CB LYS A 51 1.750 -0.677 4.477 1.00 0.00 C ATOM 466 CG LYS A 51 2.701 -1.400 5.463 1.00 0.00 C ATOM 467 CD LYS A 51 2.968 -0.671 6.803 1.00 0.00 C ATOM 468 CE LYS A 51 4.206 -1.236 7.537 1.00 0.00 C ATOM 469 NZ LYS A 51 4.233 -0.910 8.987 1.00 0.00 N ATOM 0 H LYS A 51 1.150 1.412 5.789 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.314 -0.352 4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.666 -1.296 3.584 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.231 0.254 4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.285 -2.383 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.656 -1.562 4.963 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.114 0.392 6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.093 -0.763 7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.228 -2.319 7.415 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.108 -0.844 7.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.181 -1.103 9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.004 0.096 9.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.533 -1.494 9.487 1.00 0.00 H new ATOM 483 N GLU A 52 -0.456 -0.985 7.187 1.00 0.00 N ATOM 484 CA GLU A 52 -1.200 -1.729 8.217 1.00 0.00 C ATOM 485 C GLU A 52 -2.677 -1.907 7.813 1.00 0.00 C ATOM 486 O GLU A 52 -3.229 -3.008 7.881 1.00 0.00 O ATOM 487 CB GLU A 52 -1.113 -0.964 9.560 1.00 0.00 C ATOM 488 CG GLU A 52 0.315 -0.797 10.096 1.00 0.00 C ATOM 489 CD GLU A 52 0.942 -2.123 10.540 1.00 0.00 C ATOM 490 OE1 GLU A 52 0.440 -2.726 11.512 1.00 0.00 O ATOM 491 OE2 GLU A 52 1.934 -2.576 9.930 1.00 0.00 O ATOM 0 H GLU A 52 -0.047 -0.119 7.538 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.756 -2.719 8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.559 0.022 9.433 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.710 -1.491 10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.938 -0.347 9.323 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.303 -0.106 10.939 1.00 0.00 H new ATOM 498 N GLU A 53 -3.301 -0.797 7.390 1.00 0.00 N ATOM 499 CA GLU A 53 -4.699 -0.793 6.928 1.00 0.00 C ATOM 500 C GLU A 53 -4.831 -1.457 5.552 1.00 0.00 C ATOM 501 O GLU A 53 -5.879 -2.023 5.234 1.00 0.00 O ATOM 502 CB GLU A 53 -5.259 0.649 6.911 1.00 0.00 C ATOM 503 CG GLU A 53 -5.283 1.331 8.296 1.00 0.00 C ATOM 504 CD GLU A 53 -5.968 0.482 9.391 1.00 0.00 C ATOM 505 OE1 GLU A 53 -7.200 0.279 9.323 1.00 0.00 O ATOM 506 OE2 GLU A 53 -5.278 0.014 10.327 1.00 0.00 O ATOM 0 H GLU A 53 -2.854 0.119 7.358 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.291 -1.379 7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.658 1.253 6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.272 0.629 6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.260 1.548 8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.800 2.287 8.212 1.00 0.00 H new ATOM 513 N ILE A 54 -3.759 -1.381 4.741 1.00 0.00 N ATOM 514 CA ILE A 54 -3.703 -2.064 3.439 1.00 0.00 C ATOM 515 C ILE A 54 -3.723 -3.607 3.622 1.00 0.00 C ATOM 516 O ILE A 54 -4.378 -4.310 2.853 1.00 0.00 O ATOM 517 CB ILE A 54 -2.428 -1.649 2.606 1.00 0.00 C ATOM 518 CG1 ILE A 54 -2.412 -0.118 2.273 1.00 0.00 C ATOM 519 CG2 ILE A 54 -2.304 -2.484 1.311 1.00 0.00 C ATOM 520 CD1 ILE A 54 -1.196 0.348 1.469 1.00 0.00 C ATOM 0 H ILE A 54 -2.918 -0.851 4.968 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.588 -1.753 2.884 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.563 -1.859 3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.316 0.128 1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.451 0.444 3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.416 -2.173 0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.221 -3.541 1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.187 -2.328 0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.270 1.420 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.286 0.138 2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.165 -0.182 0.517 1.00 0.00 H new ATOM 532 N SER A 55 -3.022 -4.116 4.660 1.00 0.00 N ATOM 533 CA SER A 55 -2.785 -5.571 4.833 1.00 0.00 C ATOM 534 C SER A 55 -4.092 -6.364 5.046 1.00 0.00 C ATOM 535 O SER A 55 -4.260 -7.465 4.521 1.00 0.00 O ATOM 536 CB SER A 55 -1.784 -5.836 5.985 1.00 0.00 C ATOM 537 OG SER A 55 -2.313 -5.470 7.247 1.00 0.00 O ATOM 0 H SER A 55 -2.609 -3.540 5.394 1.00 0.00 H new ATOM 0 HA SER A 55 -2.347 -5.930 3.902 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.518 -6.893 5.997 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.866 -5.278 5.802 1.00 0.00 H new ATOM 0 HG SER A 55 -2.692 -4.568 7.194 1.00 0.00 H new ATOM 543 N LYS A 56 -5.007 -5.783 5.824 1.00 0.00 N ATOM 544 CA LYS A 56 -6.332 -6.376 6.115 1.00 0.00 C ATOM 545 C LYS A 56 -7.297 -6.184 4.931 1.00 0.00 C ATOM 546 O LYS A 56 -8.172 -7.018 4.688 1.00 0.00 O ATOM 547 CB LYS A 56 -6.890 -5.726 7.412 1.00 0.00 C ATOM 548 CG LYS A 56 -7.111 -4.192 7.311 1.00 0.00 C ATOM 549 CD LYS A 56 -7.332 -3.493 8.671 1.00 0.00 C ATOM 550 CE LYS A 56 -6.111 -3.600 9.604 1.00 0.00 C ATOM 551 NZ LYS A 56 -6.274 -2.780 10.833 1.00 0.00 N ATOM 0 H LYS A 56 -4.857 -4.882 6.277 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.228 -7.451 6.264 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.837 -6.202 7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.202 -5.929 8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.247 -3.743 6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.974 -4.002 6.673 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.562 -2.441 8.500 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.199 -3.933 9.163 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.958 -4.643 9.882 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.217 -3.278 9.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.728 -3.205 11.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.929 -1.815 10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.280 -2.745 11.096 1.00 0.00 H new ATOM 565 N ARG A 57 -7.094 -5.094 4.184 1.00 0.00 N ATOM 566 CA ARG A 57 -7.997 -4.662 3.110 1.00 0.00 C ATOM 567 C ARG A 57 -7.771 -5.484 1.824 1.00 0.00 C ATOM 568 O ARG A 57 -8.719 -5.865 1.130 1.00 0.00 O ATOM 569 CB ARG A 57 -7.752 -3.161 2.838 1.00 0.00 C ATOM 570 CG ARG A 57 -8.782 -2.468 1.924 1.00 0.00 C ATOM 571 CD ARG A 57 -10.124 -2.157 2.621 1.00 0.00 C ATOM 572 NE ARG A 57 -10.902 -3.365 2.953 1.00 0.00 N ATOM 573 CZ ARG A 57 -12.011 -3.773 2.326 1.00 0.00 C ATOM 574 NH1 ARG A 57 -12.534 -3.066 1.332 1.00 0.00 N ATOM 575 NH2 ARG A 57 -12.601 -4.895 2.705 1.00 0.00 N ATOM 0 H ARG A 57 -6.289 -4.479 4.309 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.029 -4.824 3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.731 -2.637 3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.764 -3.049 2.391 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.354 -1.538 1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.971 -3.103 1.059 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.929 -1.596 3.535 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.721 -1.515 1.974 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.566 -3.938 3.727 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.090 -2.197 1.035 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.380 -3.392 0.865 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.210 -5.443 3.471 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.447 -5.212 2.231 1.00 0.00 H new ATOM 589 N PHE A 58 -6.490 -5.742 1.534 1.00 0.00 N ATOM 590 CA PHE A 58 -6.030 -6.483 0.343 1.00 0.00 C ATOM 591 C PHE A 58 -5.681 -7.939 0.719 1.00 0.00 C ATOM 592 O PHE A 58 -5.282 -8.726 -0.148 1.00 0.00 O ATOM 593 CB PHE A 58 -4.808 -5.755 -0.292 1.00 0.00 C ATOM 594 CG PHE A 58 -5.141 -4.388 -0.914 1.00 0.00 C ATOM 595 CD1 PHE A 58 -5.438 -3.282 -0.118 1.00 0.00 C ATOM 596 CD2 PHE A 58 -5.172 -4.217 -2.293 1.00 0.00 C ATOM 597 CE1 PHE A 58 -5.740 -2.056 -0.683 1.00 0.00 C ATOM 598 CE2 PHE A 58 -5.477 -2.989 -2.854 1.00 0.00 C ATOM 599 CZ PHE A 58 -5.766 -1.912 -2.052 1.00 0.00 C ATOM 0 H PHE A 58 -5.723 -5.436 2.132 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.832 -6.513 -0.395 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.044 -5.617 0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.377 -6.396 -1.061 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.432 -3.384 0.957 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.955 -5.056 -2.937 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.956 -1.209 -0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.488 -2.877 -3.928 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.012 -0.957 -2.493 1.00 0.00 H new ATOM 609 N LYS A 59 -5.869 -8.284 2.029 1.00 0.00 N ATOM 610 CA LYS A 59 -5.630 -9.640 2.597 1.00 0.00 C ATOM 611 C LYS A 59 -4.168 -10.085 2.372 1.00 0.00 C ATOM 612 O LYS A 59 -3.867 -11.277 2.287 1.00 0.00 O ATOM 613 CB LYS A 59 -6.649 -10.699 2.047 1.00 0.00 C ATOM 614 CG LYS A 59 -8.153 -10.363 2.282 1.00 0.00 C ATOM 615 CD LYS A 59 -8.740 -9.408 1.219 1.00 0.00 C ATOM 616 CE LYS A 59 -10.098 -8.817 1.603 1.00 0.00 C ATOM 617 NZ LYS A 59 -10.634 -7.940 0.524 1.00 0.00 N ATOM 0 H LYS A 59 -6.196 -7.615 2.726 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.797 -9.576 3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.483 -10.816 0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.432 -11.662 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.728 -11.289 2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.268 -9.912 3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.036 -8.594 1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.842 -9.946 0.277 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.804 -9.623 1.803 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.999 -8.244 2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.640 -7.747 0.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.107 -7.044 0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.529 -8.416 -0.395 1.00 0.00 H new ATOM 631 N SER A 60 -3.259 -9.101 2.349 1.00 0.00 N ATOM 632 CA SER A 60 -1.847 -9.287 1.988 1.00 0.00 C ATOM 633 C SER A 60 -0.936 -8.609 3.030 1.00 0.00 C ATOM 634 O SER A 60 -0.971 -7.392 3.157 1.00 0.00 O ATOM 635 CB SER A 60 -1.621 -8.671 0.602 1.00 0.00 C ATOM 636 OG SER A 60 -2.402 -9.319 -0.391 1.00 0.00 O ATOM 0 H SER A 60 -3.489 -8.136 2.585 1.00 0.00 H new ATOM 0 HA SER A 60 -1.603 -10.349 1.968 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.872 -7.611 0.629 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.566 -8.742 0.339 1.00 0.00 H new ATOM 0 HG SER A 60 -3.348 -9.104 -0.255 1.00 0.00 H new ATOM 642 N HIS A 61 -0.095 -9.403 3.729 1.00 0.00 N ATOM 643 CA HIS A 61 0.741 -8.932 4.873 1.00 0.00 C ATOM 644 C HIS A 61 1.687 -7.758 4.501 1.00 0.00 C ATOM 645 O HIS A 61 2.154 -7.661 3.362 1.00 0.00 O ATOM 646 CB HIS A 61 1.569 -10.103 5.469 1.00 0.00 C ATOM 647 CG HIS A 61 0.789 -11.052 6.350 1.00 0.00 C ATOM 648 ND1 HIS A 61 0.500 -12.351 6.006 1.00 0.00 N ATOM 649 CD2 HIS A 61 0.273 -10.880 7.591 1.00 0.00 C ATOM 650 CE1 HIS A 61 -0.158 -12.930 6.990 1.00 0.00 C ATOM 651 NE2 HIS A 61 -0.307 -12.061 7.965 1.00 0.00 N ATOM 0 H HIS A 61 0.029 -10.394 3.520 1.00 0.00 H new ATOM 0 HA HIS A 61 0.042 -8.556 5.620 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.010 -10.671 4.650 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.393 -9.687 6.048 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.312 -9.975 8.178 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.515 -13.949 6.995 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -0.777 -12.238 8.853 1.00 0.00 H new ATOM 660 N THR A 62 2.003 -6.936 5.529 1.00 0.00 N ATOM 661 CA THR A 62 2.725 -5.645 5.401 1.00 0.00 C ATOM 662 C THR A 62 4.143 -5.769 4.808 1.00 0.00 C ATOM 663 O THR A 62 4.671 -4.800 4.244 1.00 0.00 O ATOM 664 CB THR A 62 2.796 -4.924 6.791 1.00 0.00 C ATOM 665 OG1 THR A 62 3.430 -5.769 7.767 1.00 0.00 O ATOM 666 CG2 THR A 62 1.399 -4.522 7.300 1.00 0.00 C ATOM 0 H THR A 62 1.758 -7.156 6.494 1.00 0.00 H new ATOM 0 HA THR A 62 2.147 -5.054 4.691 1.00 0.00 H new ATOM 0 HB THR A 62 3.385 -4.018 6.650 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.468 -5.303 8.628 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.493 -4.025 8.266 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.933 -3.843 6.586 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.781 -5.413 7.409 1.00 0.00 H new ATOM 674 N ASP A 63 4.739 -6.960 4.950 1.00 0.00 N ATOM 675 CA ASP A 63 6.072 -7.268 4.405 1.00 0.00 C ATOM 676 C ASP A 63 6.051 -7.222 2.868 1.00 0.00 C ATOM 677 O ASP A 63 6.945 -6.647 2.245 1.00 0.00 O ATOM 678 CB ASP A 63 6.538 -8.665 4.895 1.00 0.00 C ATOM 679 CG ASP A 63 7.954 -9.046 4.422 1.00 0.00 C ATOM 680 OD1 ASP A 63 8.935 -8.666 5.093 1.00 0.00 O ATOM 681 OD2 ASP A 63 8.097 -9.712 3.368 1.00 0.00 O ATOM 0 H ASP A 63 4.311 -7.741 5.447 1.00 0.00 H new ATOM 0 HA ASP A 63 6.776 -6.516 4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.510 -8.686 5.984 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.832 -9.418 4.544 1.00 0.00 H new ATOM 686 N GLN A 64 4.992 -7.804 2.277 1.00 0.00 N ATOM 687 CA GLN A 64 4.860 -7.964 0.812 1.00 0.00 C ATOM 688 C GLN A 64 4.283 -6.711 0.131 1.00 0.00 C ATOM 689 O GLN A 64 4.158 -6.670 -1.099 1.00 0.00 O ATOM 690 CB GLN A 64 4.002 -9.218 0.505 1.00 0.00 C ATOM 691 CG GLN A 64 4.663 -10.533 0.969 1.00 0.00 C ATOM 692 CD GLN A 64 3.819 -11.768 0.676 1.00 0.00 C ATOM 693 OE1 GLN A 64 3.939 -12.390 -0.383 1.00 0.00 O ATOM 694 NE2 GLN A 64 2.951 -12.125 1.607 1.00 0.00 N ATOM 0 H GLN A 64 4.200 -8.178 2.800 1.00 0.00 H new ATOM 0 HA GLN A 64 5.859 -8.099 0.396 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.032 -9.115 0.991 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.817 -9.270 -0.568 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.631 -10.638 0.478 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.853 -10.477 2.041 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.879 -11.587 2.471 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.353 -12.939 1.462 1.00 0.00 H new ATOM 703 N LEU A 65 3.934 -5.703 0.939 1.00 0.00 N ATOM 704 CA LEU A 65 3.407 -4.421 0.457 1.00 0.00 C ATOM 705 C LEU A 65 4.562 -3.432 0.240 1.00 0.00 C ATOM 706 O LEU A 65 5.267 -3.092 1.187 1.00 0.00 O ATOM 707 CB LEU A 65 2.402 -3.846 1.497 1.00 0.00 C ATOM 708 CG LEU A 65 1.224 -4.785 1.894 1.00 0.00 C ATOM 709 CD1 LEU A 65 0.374 -4.163 3.015 1.00 0.00 C ATOM 710 CD2 LEU A 65 0.356 -5.160 0.675 1.00 0.00 C ATOM 0 H LEU A 65 4.010 -5.755 1.955 1.00 0.00 H new ATOM 0 HA LEU A 65 2.891 -4.576 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.953 -3.584 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.986 -2.921 1.098 1.00 0.00 H new ATOM 0 HG LEU A 65 1.658 -5.709 2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.441 -4.840 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.997 -3.995 3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.037 -3.213 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.455 -5.816 0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.061 -4.255 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.970 -5.675 -0.064 1.00 0.00 H new ATOM 722 N VAL A 66 4.778 -3.005 -1.014 1.00 0.00 N ATOM 723 CA VAL A 66 5.708 -1.898 -1.337 1.00 0.00 C ATOM 724 C VAL A 66 4.942 -0.823 -2.135 1.00 0.00 C ATOM 725 O VAL A 66 4.447 -1.082 -3.236 1.00 0.00 O ATOM 726 CB VAL A 66 7.017 -2.377 -2.106 1.00 0.00 C ATOM 727 CG1 VAL A 66 7.928 -3.234 -1.189 1.00 0.00 C ATOM 728 CG2 VAL A 66 6.697 -3.145 -3.414 1.00 0.00 C ATOM 0 H VAL A 66 4.320 -3.410 -1.830 1.00 0.00 H new ATOM 0 HA VAL A 66 6.070 -1.477 -0.399 1.00 0.00 H new ATOM 0 HB VAL A 66 7.553 -1.470 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.813 -3.545 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.231 -2.644 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.381 -4.115 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.627 -3.447 -3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.105 -4.030 -3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.133 -2.499 -4.087 1.00 0.00 H new ATOM 738 N LEU A 67 4.786 0.365 -1.532 1.00 0.00 N ATOM 739 CA LEU A 67 4.165 1.527 -2.188 1.00 0.00 C ATOM 740 C LEU A 67 5.225 2.190 -3.060 1.00 0.00 C ATOM 741 O LEU A 67 6.375 2.273 -2.658 1.00 0.00 O ATOM 742 CB LEU A 67 3.643 2.534 -1.123 1.00 0.00 C ATOM 743 CG LEU A 67 2.374 2.115 -0.320 1.00 0.00 C ATOM 744 CD1 LEU A 67 2.139 3.062 0.876 1.00 0.00 C ATOM 745 CD2 LEU A 67 1.127 2.070 -1.231 1.00 0.00 C ATOM 0 H LEU A 67 5.087 0.548 -0.575 1.00 0.00 H new ATOM 0 HA LEU A 67 3.316 1.209 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.447 2.724 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.431 3.479 -1.624 1.00 0.00 H new ATOM 0 HG LEU A 67 2.545 1.111 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.248 2.748 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.001 3.028 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.002 4.080 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.258 1.775 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.956 3.056 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.287 1.347 -2.031 1.00 0.00 H new ATOM 757 N ILE A 68 4.851 2.583 -4.282 1.00 0.00 N ATOM 758 CA ILE A 68 5.726 3.340 -5.193 1.00 0.00 C ATOM 759 C ILE A 68 4.980 4.608 -5.641 1.00 0.00 C ATOM 760 O ILE A 68 3.788 4.551 -5.995 1.00 0.00 O ATOM 761 CB ILE A 68 6.202 2.517 -6.469 1.00 0.00 C ATOM 762 CG1 ILE A 68 6.982 1.210 -6.084 1.00 0.00 C ATOM 763 CG2 ILE A 68 7.081 3.392 -7.410 1.00 0.00 C ATOM 764 CD1 ILE A 68 6.120 0.013 -5.717 1.00 0.00 C ATOM 0 H ILE A 68 3.929 2.386 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 68 6.634 3.581 -4.640 1.00 0.00 H new ATOM 0 HB ILE A 68 5.294 2.223 -6.996 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.622 0.931 -6.921 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.637 1.434 -5.242 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.390 2.801 -8.272 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.506 4.254 -7.748 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.963 3.734 -6.869 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.760 -0.834 -5.469 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.498 0.262 -4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.483 -0.249 -6.562 1.00 0.00 H new ATOM 776 N PHE A 69 5.700 5.738 -5.619 1.00 0.00 N ATOM 777 CA PHE A 69 5.195 7.039 -6.075 1.00 0.00 C ATOM 778 C PHE A 69 6.400 7.928 -6.448 1.00 0.00 C ATOM 779 O PHE A 69 7.450 7.872 -5.778 1.00 0.00 O ATOM 780 CB PHE A 69 4.317 7.713 -4.981 1.00 0.00 C ATOM 781 CG PHE A 69 3.436 8.870 -5.483 1.00 0.00 C ATOM 782 CD1 PHE A 69 3.916 10.180 -5.537 1.00 0.00 C ATOM 783 CD2 PHE A 69 2.120 8.641 -5.891 1.00 0.00 C ATOM 784 CE1 PHE A 69 3.115 11.213 -5.978 1.00 0.00 C ATOM 785 CE2 PHE A 69 1.316 9.681 -6.334 1.00 0.00 C ATOM 786 CZ PHE A 69 1.815 10.966 -6.376 1.00 0.00 C ATOM 0 H PHE A 69 6.661 5.774 -5.280 1.00 0.00 H new ATOM 0 HA PHE A 69 4.560 6.900 -6.950 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.675 6.955 -4.532 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.969 8.087 -4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.930 10.388 -5.229 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.722 7.638 -5.861 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.506 12.219 -6.012 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.301 9.485 -6.646 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.191 11.778 -6.719 1.00 0.00 H new ATOM 796 N ALA A 70 6.242 8.696 -7.553 1.00 0.00 N ATOM 797 CA ALA A 70 7.273 9.615 -8.115 1.00 0.00 C ATOM 798 C ALA A 70 8.463 8.862 -8.763 1.00 0.00 C ATOM 799 O ALA A 70 9.329 9.489 -9.382 1.00 0.00 O ATOM 800 CB ALA A 70 7.758 10.644 -7.065 1.00 0.00 C ATOM 0 H ALA A 70 5.377 8.697 -8.093 1.00 0.00 H new ATOM 0 HA ALA A 70 6.782 10.166 -8.917 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.508 11.295 -7.513 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.913 11.244 -6.726 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.194 10.119 -6.215 1.00 0.00 H new ATOM 806 N GLY A 71 8.470 7.519 -8.656 1.00 0.00 N ATOM 807 CA GLY A 71 9.556 6.676 -9.154 1.00 0.00 C ATOM 808 C GLY A 71 10.189 5.831 -8.055 1.00 0.00 C ATOM 809 O GLY A 71 10.756 4.774 -8.343 1.00 0.00 O ATOM 0 H GLY A 71 7.714 6.993 -8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.174 6.021 -9.937 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.320 7.305 -9.610 1.00 0.00 H new ATOM 813 N LYS A 72 10.102 6.295 -6.789 1.00 0.00 N ATOM 814 CA LYS A 72 10.757 5.622 -5.636 1.00 0.00 C ATOM 815 C LYS A 72 9.738 4.764 -4.856 1.00 0.00 C ATOM 816 O LYS A 72 8.540 5.069 -4.852 1.00 0.00 O ATOM 817 CB LYS A 72 11.473 6.680 -4.714 1.00 0.00 C ATOM 818 CG LYS A 72 10.565 7.769 -4.057 1.00 0.00 C ATOM 819 CD LYS A 72 9.851 7.304 -2.753 1.00 0.00 C ATOM 820 CE LYS A 72 10.786 7.099 -1.544 1.00 0.00 C ATOM 821 NZ LYS A 72 11.155 8.367 -0.885 1.00 0.00 N ATOM 0 H LYS A 72 9.583 7.136 -6.535 1.00 0.00 H new ATOM 0 HA LYS A 72 11.526 4.946 -6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.990 6.143 -3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.236 7.185 -5.306 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.173 8.645 -3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.811 8.081 -4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.093 8.041 -2.488 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.330 6.368 -2.954 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.298 6.447 -0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.691 6.589 -1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.837 8.177 -0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.585 9.008 -1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.304 8.811 -0.485 1.00 0.00 H new ATOM 835 N ILE A 73 10.235 3.695 -4.213 1.00 0.00 N ATOM 836 CA ILE A 73 9.465 2.913 -3.223 1.00 0.00 C ATOM 837 C ILE A 73 9.310 3.743 -1.919 1.00 0.00 C ATOM 838 O ILE A 73 10.310 4.094 -1.284 1.00 0.00 O ATOM 839 CB ILE A 73 10.081 1.467 -2.912 1.00 0.00 C ATOM 840 CG1 ILE A 73 11.468 1.483 -2.155 1.00 0.00 C ATOM 841 CG2 ILE A 73 10.187 0.622 -4.201 1.00 0.00 C ATOM 842 CD1 ILE A 73 12.635 2.132 -2.888 1.00 0.00 C ATOM 0 H ILE A 73 11.182 3.346 -4.362 1.00 0.00 H new ATOM 0 HA ILE A 73 8.488 2.718 -3.664 1.00 0.00 H new ATOM 0 HB ILE A 73 9.374 1.007 -2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.332 2.000 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.741 0.454 -1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.608 -0.355 -3.962 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.195 0.493 -4.634 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.833 1.130 -4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.529 2.080 -2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 73 12.814 1.605 -3.825 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.398 3.175 -3.097 1.00 0.00 H new ATOM 854 N LEU A 74 8.060 4.133 -1.585 1.00 0.00 N ATOM 855 CA LEU A 74 7.750 4.904 -0.368 1.00 0.00 C ATOM 856 C LEU A 74 8.249 4.165 0.875 1.00 0.00 C ATOM 857 O LEU A 74 7.821 3.031 1.149 1.00 0.00 O ATOM 858 CB LEU A 74 6.229 5.174 -0.214 1.00 0.00 C ATOM 859 CG LEU A 74 5.522 5.928 -1.377 1.00 0.00 C ATOM 860 CD1 LEU A 74 4.057 6.235 -1.009 1.00 0.00 C ATOM 861 CD2 LEU A 74 6.281 7.213 -1.779 1.00 0.00 C ATOM 0 H LEU A 74 7.240 3.921 -2.154 1.00 0.00 H new ATOM 0 HA LEU A 74 8.260 5.862 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.727 4.216 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.078 5.746 0.701 1.00 0.00 H new ATOM 0 HG LEU A 74 5.528 5.273 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.578 6.763 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.527 5.302 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.029 6.858 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.753 7.708 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.338 7.885 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.289 6.954 -2.104 1.00 0.00 H new ATOM 873 N LYS A 75 9.178 4.801 1.586 1.00 0.00 N ATOM 874 CA LYS A 75 9.691 4.296 2.856 1.00 0.00 C ATOM 875 C LYS A 75 8.758 4.776 3.968 1.00 0.00 C ATOM 876 O LYS A 75 8.020 5.755 3.781 1.00 0.00 O ATOM 877 CB LYS A 75 11.148 4.795 3.096 1.00 0.00 C ATOM 878 CG LYS A 75 12.103 4.616 1.884 1.00 0.00 C ATOM 879 CD LYS A 75 12.232 3.152 1.389 1.00 0.00 C ATOM 880 CE LYS A 75 12.809 2.196 2.447 1.00 0.00 C ATOM 881 NZ LYS A 75 14.146 2.622 2.926 1.00 0.00 N ATOM 0 H LYS A 75 9.597 5.684 1.296 1.00 0.00 H new ATOM 0 HA LYS A 75 9.721 3.206 2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.116 5.851 3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.564 4.262 3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.748 5.236 1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.092 4.984 2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.250 2.792 1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.869 3.130 0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.124 2.139 3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.880 1.193 2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.528 1.903 3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.786 2.733 2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.062 3.529 3.428 1.00 0.00 H new ATOM 895 N ASP A 76 8.808 4.105 5.121 1.00 0.00 N ATOM 896 CA ASP A 76 7.938 4.427 6.269 1.00 0.00 C ATOM 897 C ASP A 76 8.162 5.877 6.771 1.00 0.00 C ATOM 898 O ASP A 76 7.238 6.508 7.303 1.00 0.00 O ATOM 899 CB ASP A 76 8.166 3.407 7.411 1.00 0.00 C ATOM 900 CG ASP A 76 9.569 3.476 8.051 1.00 0.00 C ATOM 901 OD1 ASP A 76 9.773 4.254 9.006 1.00 0.00 O ATOM 902 OD2 ASP A 76 10.482 2.756 7.600 1.00 0.00 O ATOM 0 H ASP A 76 9.446 3.327 5.291 1.00 0.00 H new ATOM 0 HA ASP A 76 6.902 4.359 5.936 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.417 3.573 8.186 1.00 0.00 H new ATOM 0 HB3 ASP A 76 8.005 2.401 7.022 1.00 0.00 H new ATOM 907 N GLN A 77 9.395 6.382 6.562 1.00 0.00 N ATOM 908 CA GLN A 77 9.858 7.683 7.073 1.00 0.00 C ATOM 909 C GLN A 77 9.231 8.866 6.304 1.00 0.00 C ATOM 910 O GLN A 77 8.900 9.887 6.918 1.00 0.00 O ATOM 911 CB GLN A 77 11.411 7.753 7.026 1.00 0.00 C ATOM 912 CG GLN A 77 12.032 7.673 5.612 1.00 0.00 C ATOM 913 CD GLN A 77 13.566 7.667 5.623 1.00 0.00 C ATOM 914 OE1 GLN A 77 14.190 7.152 6.548 1.00 0.00 O ATOM 915 NE2 GLN A 77 14.184 8.251 4.614 1.00 0.00 N ATOM 0 H GLN A 77 10.107 5.887 6.024 1.00 0.00 H new ATOM 0 HA GLN A 77 9.529 7.769 8.109 1.00 0.00 H new ATOM 0 HB2 GLN A 77 11.731 8.684 7.494 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.814 6.939 7.629 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.676 6.770 5.117 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.683 8.520 5.021 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.642 8.671 3.859 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.203 8.282 4.589 1.00 0.00 H new ATOM 924 N ASP A 78 9.072 8.735 4.967 1.00 0.00 N ATOM 925 CA ASP A 78 8.404 9.765 4.139 1.00 0.00 C ATOM 926 C ASP A 78 6.925 9.374 3.982 1.00 0.00 C ATOM 927 O ASP A 78 6.591 8.399 3.297 1.00 0.00 O ATOM 928 CB ASP A 78 9.123 9.995 2.761 1.00 0.00 C ATOM 929 CG ASP A 78 9.195 8.760 1.835 1.00 0.00 C ATOM 930 OD1 ASP A 78 9.866 7.779 2.202 1.00 0.00 O ATOM 931 OD2 ASP A 78 8.617 8.783 0.720 1.00 0.00 O ATOM 0 H ASP A 78 9.397 7.926 4.438 1.00 0.00 H new ATOM 0 HA ASP A 78 8.468 10.729 4.643 1.00 0.00 H new ATOM 0 HB2 ASP A 78 8.607 10.796 2.231 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.138 10.343 2.954 1.00 0.00 H new ATOM 936 N THR A 79 6.046 10.121 4.682 1.00 0.00 N ATOM 937 CA THR A 79 4.599 9.849 4.709 1.00 0.00 C ATOM 938 C THR A 79 3.981 10.162 3.342 1.00 0.00 C ATOM 939 O THR A 79 4.591 10.864 2.523 1.00 0.00 O ATOM 940 CB THR A 79 3.862 10.676 5.832 1.00 0.00 C ATOM 941 OG1 THR A 79 3.850 12.075 5.516 1.00 0.00 O ATOM 942 CG2 THR A 79 4.534 10.494 7.196 1.00 0.00 C ATOM 0 H THR A 79 6.322 10.927 5.242 1.00 0.00 H new ATOM 0 HA THR A 79 4.469 8.791 4.939 1.00 0.00 H new ATOM 0 HB THR A 79 2.841 10.298 5.879 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.925 12.397 5.494 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.000 11.078 7.946 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.513 9.440 7.474 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.568 10.834 7.140 1.00 0.00 H new ATOM 950 N LEU A 80 2.773 9.634 3.109 1.00 0.00 N ATOM 951 CA LEU A 80 2.000 9.907 1.891 1.00 0.00 C ATOM 952 C LEU A 80 1.756 11.426 1.729 1.00 0.00 C ATOM 953 O LEU A 80 2.026 11.994 0.676 1.00 0.00 O ATOM 954 CB LEU A 80 0.682 9.060 1.908 1.00 0.00 C ATOM 955 CG LEU A 80 -0.168 9.055 3.249 1.00 0.00 C ATOM 956 CD1 LEU A 80 -1.175 10.228 3.337 1.00 0.00 C ATOM 957 CD2 LEU A 80 -0.880 7.703 3.461 1.00 0.00 C ATOM 0 H LEU A 80 2.304 9.005 3.760 1.00 0.00 H new ATOM 0 HA LEU A 80 2.565 9.601 1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.040 9.420 1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.942 8.028 1.670 1.00 0.00 H new ATOM 0 HG LEU A 80 0.549 9.199 4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.724 10.167 4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.636 11.174 3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.875 10.170 2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.453 7.735 4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.553 7.511 2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.138 6.906 3.520 1.00 0.00 H new ATOM 969 N SER A 81 1.346 12.069 2.825 1.00 0.00 N ATOM 970 CA SER A 81 1.043 13.510 2.883 1.00 0.00 C ATOM 971 C SER A 81 2.314 14.372 2.681 1.00 0.00 C ATOM 972 O SER A 81 2.248 15.463 2.092 1.00 0.00 O ATOM 973 CB SER A 81 0.359 13.803 4.239 1.00 0.00 C ATOM 974 OG SER A 81 1.082 13.219 5.315 1.00 0.00 O ATOM 0 H SER A 81 1.211 11.596 3.719 1.00 0.00 H new ATOM 0 HA SER A 81 0.370 13.777 2.068 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.287 14.880 4.388 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.659 13.414 4.228 1.00 0.00 H new ATOM 0 HG SER A 81 0.570 13.318 6.145 1.00 0.00 H new ATOM 980 N GLN A 82 3.466 13.847 3.153 1.00 0.00 N ATOM 981 CA GLN A 82 4.802 14.449 2.925 1.00 0.00 C ATOM 982 C GLN A 82 5.205 14.315 1.449 1.00 0.00 C ATOM 983 O GLN A 82 5.882 15.189 0.898 1.00 0.00 O ATOM 984 CB GLN A 82 5.874 13.757 3.824 1.00 0.00 C ATOM 985 CG GLN A 82 7.332 14.250 3.631 1.00 0.00 C ATOM 986 CD GLN A 82 7.535 15.737 3.950 1.00 0.00 C ATOM 987 OE1 GLN A 82 6.890 16.297 4.832 1.00 0.00 O ATOM 988 NE2 GLN A 82 8.431 16.388 3.226 1.00 0.00 N ATOM 0 H GLN A 82 3.497 12.990 3.705 1.00 0.00 H new ATOM 0 HA GLN A 82 4.747 15.506 3.186 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.596 13.903 4.868 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.844 12.684 3.633 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.992 13.659 4.267 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.634 14.066 2.600 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.953 15.898 2.499 1.00 0.00 H new ATOM 0 HE22 GLN A 82 8.600 17.380 3.395 1.00 0.00 H new ATOM 997 N HIS A 83 4.773 13.220 0.807 1.00 0.00 N ATOM 998 CA HIS A 83 5.149 12.912 -0.583 1.00 0.00 C ATOM 999 C HIS A 83 4.131 13.517 -1.583 1.00 0.00 C ATOM 1000 O HIS A 83 4.135 13.173 -2.768 1.00 0.00 O ATOM 1001 CB HIS A 83 5.289 11.368 -0.765 1.00 0.00 C ATOM 1002 CG HIS A 83 6.342 10.992 -1.771 1.00 0.00 C ATOM 1003 ND1 HIS A 83 7.593 10.577 -1.401 1.00 0.00 N ATOM 1004 CD2 HIS A 83 6.353 11.033 -3.125 1.00 0.00 C ATOM 1005 CE1 HIS A 83 8.324 10.394 -2.470 1.00 0.00 C ATOM 1006 NE2 HIS A 83 7.601 10.659 -3.536 1.00 0.00 N ATOM 0 H HIS A 83 4.157 12.526 1.232 1.00 0.00 H new ATOM 0 HA HIS A 83 6.115 13.370 -0.797 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.533 10.914 0.196 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.330 10.955 -1.078 1.00 0.00 H new ATOM 0 HD1 HIS A 83 7.906 10.433 -0.441 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.527 11.310 -3.763 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.356 10.076 -2.476 1.00 0.00 H new ATOM 1015 N GLY A 84 3.248 14.407 -1.086 1.00 0.00 N ATOM 1016 CA GLY A 84 2.296 15.142 -1.934 1.00 0.00 C ATOM 1017 C GLY A 84 1.037 14.348 -2.268 1.00 0.00 C ATOM 1018 O GLY A 84 0.201 14.800 -3.055 1.00 0.00 O ATOM 0 H GLY A 84 3.177 14.633 -0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.010 16.065 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.793 15.426 -2.862 1.00 0.00 H new ATOM 1022 N ILE A 85 0.899 13.169 -1.653 1.00 0.00 N ATOM 1023 CA ILE A 85 -0.251 12.277 -1.847 1.00 0.00 C ATOM 1024 C ILE A 85 -1.352 12.672 -0.846 1.00 0.00 C ATOM 1025 O ILE A 85 -1.367 12.221 0.310 1.00 0.00 O ATOM 1026 CB ILE A 85 0.150 10.767 -1.662 1.00 0.00 C ATOM 1027 CG1 ILE A 85 1.479 10.450 -2.419 1.00 0.00 C ATOM 1028 CG2 ILE A 85 -0.997 9.825 -2.120 1.00 0.00 C ATOM 1029 CD1 ILE A 85 2.083 9.106 -2.076 1.00 0.00 C ATOM 0 H ILE A 85 1.590 12.802 -0.999 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.617 12.386 -2.868 1.00 0.00 H new ATOM 0 HB ILE A 85 0.319 10.589 -0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.291 10.488 -3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.206 11.230 -2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.693 8.787 -1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.890 10.024 -1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.214 10.002 -3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.002 8.965 -2.644 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.306 9.069 -1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.376 8.315 -2.327 1.00 0.00 H new ATOM 1041 N HIS A 86 -2.221 13.586 -1.292 1.00 0.00 N ATOM 1042 CA HIS A 86 -3.332 14.126 -0.488 1.00 0.00 C ATOM 1043 C HIS A 86 -4.672 13.528 -0.961 1.00 0.00 C ATOM 1044 O HIS A 86 -4.686 12.533 -1.694 1.00 0.00 O ATOM 1045 CB HIS A 86 -3.330 15.683 -0.554 1.00 0.00 C ATOM 1046 CG HIS A 86 -2.137 16.325 0.109 1.00 0.00 C ATOM 1047 ND1 HIS A 86 -2.110 16.658 1.446 1.00 0.00 N ATOM 1048 CD2 HIS A 86 -0.925 16.680 -0.380 1.00 0.00 C ATOM 1049 CE1 HIS A 86 -0.943 17.183 1.745 1.00 0.00 C ATOM 1050 NE2 HIS A 86 -0.203 17.211 0.658 1.00 0.00 N ATOM 0 H HIS A 86 -2.175 13.979 -2.232 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.199 13.840 0.555 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.362 15.992 -1.599 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -4.239 16.057 -0.083 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -2.878 16.518 2.103 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -0.589 16.566 -1.400 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -0.642 17.533 2.721 1.00 0.00 H new ATOM 1059 N ASP A 87 -5.791 14.124 -0.506 1.00 0.00 N ATOM 1060 CA ASP A 87 -7.151 13.680 -0.854 1.00 0.00 C ATOM 1061 C ASP A 87 -7.404 13.797 -2.380 1.00 0.00 C ATOM 1062 O ASP A 87 -7.397 14.896 -2.948 1.00 0.00 O ATOM 1063 CB ASP A 87 -8.204 14.476 -0.023 1.00 0.00 C ATOM 1064 CG ASP A 87 -8.123 16.004 -0.209 1.00 0.00 C ATOM 1065 OD1 ASP A 87 -7.185 16.627 0.333 1.00 0.00 O ATOM 1066 OD2 ASP A 87 -8.988 16.589 -0.894 1.00 0.00 O ATOM 0 H ASP A 87 -5.775 14.932 0.117 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.253 12.625 -0.599 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.202 14.139 -0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.071 14.241 1.033 1.00 0.00 H new ATOM 1071 N GLY A 88 -7.576 12.637 -3.038 1.00 0.00 N ATOM 1072 CA GLY A 88 -7.776 12.565 -4.489 1.00 0.00 C ATOM 1073 C GLY A 88 -6.584 11.983 -5.234 1.00 0.00 C ATOM 1074 O GLY A 88 -6.735 11.499 -6.365 1.00 0.00 O ATOM 0 H GLY A 88 -7.580 11.727 -2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.657 11.958 -4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.981 13.565 -4.870 1.00 0.00 H new ATOM 1078 N LEU A 89 -5.390 12.040 -4.610 1.00 0.00 N ATOM 1079 CA LEU A 89 -4.150 11.492 -5.200 1.00 0.00 C ATOM 1080 C LEU A 89 -4.165 9.960 -5.104 1.00 0.00 C ATOM 1081 O LEU A 89 -4.668 9.384 -4.125 1.00 0.00 O ATOM 1082 CB LEU A 89 -2.868 12.070 -4.514 1.00 0.00 C ATOM 1083 CG LEU A 89 -2.366 13.473 -4.998 1.00 0.00 C ATOM 1084 CD1 LEU A 89 -1.977 13.451 -6.492 1.00 0.00 C ATOM 1085 CD2 LEU A 89 -3.388 14.582 -4.694 1.00 0.00 C ATOM 0 H LEU A 89 -5.257 12.463 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.116 11.792 -6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.057 12.130 -3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.058 11.355 -4.655 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.465 13.705 -4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.634 14.441 -6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.178 12.726 -6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.844 13.171 -7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.002 15.539 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.327 14.361 -5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.561 14.633 -3.619 1.00 0.00 H new ATOM 1097 N THR A 90 -3.604 9.322 -6.136 1.00 0.00 N ATOM 1098 CA THR A 90 -3.560 7.871 -6.272 1.00 0.00 C ATOM 1099 C THR A 90 -2.095 7.406 -6.241 1.00 0.00 C ATOM 1100 O THR A 90 -1.304 7.748 -7.128 1.00 0.00 O ATOM 1101 CB THR A 90 -4.253 7.420 -7.601 1.00 0.00 C ATOM 1102 OG1 THR A 90 -5.537 8.061 -7.704 1.00 0.00 O ATOM 1103 CG2 THR A 90 -4.436 5.888 -7.677 1.00 0.00 C ATOM 0 H THR A 90 -3.161 9.813 -6.912 1.00 0.00 H new ATOM 0 HA THR A 90 -4.101 7.415 -5.443 1.00 0.00 H new ATOM 0 HB THR A 90 -3.607 7.713 -8.429 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.975 7.784 -8.536 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.921 5.626 -8.617 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.462 5.402 -7.623 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.055 5.554 -6.844 1.00 0.00 H new ATOM 1111 N VAL A 91 -1.749 6.653 -5.191 1.00 0.00 N ATOM 1112 CA VAL A 91 -0.437 6.022 -5.027 1.00 0.00 C ATOM 1113 C VAL A 91 -0.497 4.593 -5.594 1.00 0.00 C ATOM 1114 O VAL A 91 -1.544 3.933 -5.539 1.00 0.00 O ATOM 1115 CB VAL A 91 0.004 5.994 -3.506 1.00 0.00 C ATOM 1116 CG1 VAL A 91 -0.995 5.215 -2.619 1.00 0.00 C ATOM 1117 CG2 VAL A 91 1.449 5.453 -3.344 1.00 0.00 C ATOM 0 H VAL A 91 -2.386 6.462 -4.417 1.00 0.00 H new ATOM 0 HA VAL A 91 0.306 6.606 -5.570 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.005 7.027 -3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.648 5.225 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.976 5.686 -2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.065 4.185 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.719 5.447 -2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.504 4.438 -3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.141 6.093 -3.892 1.00 0.00 H new ATOM 1127 N HIS A 92 0.622 4.138 -6.166 1.00 0.00 N ATOM 1128 CA HIS A 92 0.754 2.781 -6.714 1.00 0.00 C ATOM 1129 C HIS A 92 1.251 1.851 -5.597 1.00 0.00 C ATOM 1130 O HIS A 92 1.960 2.292 -4.689 1.00 0.00 O ATOM 1131 CB HIS A 92 1.745 2.768 -7.906 1.00 0.00 C ATOM 1132 CG HIS A 92 1.413 3.713 -9.037 1.00 0.00 C ATOM 1133 ND1 HIS A 92 1.070 3.288 -10.301 1.00 0.00 N ATOM 1134 CD2 HIS A 92 1.427 5.068 -9.097 1.00 0.00 C ATOM 1135 CE1 HIS A 92 0.899 4.329 -11.084 1.00 0.00 C ATOM 1136 NE2 HIS A 92 1.106 5.423 -10.382 1.00 0.00 N ATOM 0 H HIS A 92 1.466 4.702 -6.263 1.00 0.00 H new ATOM 0 HA HIS A 92 -0.213 2.438 -7.081 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.739 3.012 -7.532 1.00 0.00 H new ATOM 0 HB3 HIS A 92 1.794 1.755 -8.305 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.650 5.742 -8.283 1.00 0.00 H new ATOM 0 HE1 HIS A 92 0.633 4.293 -12.130 1.00 0.00 H new ATOM 0 HE2 HIS A 92 1.039 6.377 -10.736 1.00 0.00 H new ATOM 1145 N LEU A 93 0.855 0.580 -5.661 1.00 0.00 N ATOM 1146 CA LEU A 93 1.275 -0.452 -4.700 1.00 0.00 C ATOM 1147 C LEU A 93 1.474 -1.773 -5.434 1.00 0.00 C ATOM 1148 O LEU A 93 0.611 -2.201 -6.205 1.00 0.00 O ATOM 1149 CB LEU A 93 0.212 -0.624 -3.587 1.00 0.00 C ATOM 1150 CG LEU A 93 0.389 -1.835 -2.601 1.00 0.00 C ATOM 1151 CD1 LEU A 93 1.600 -1.670 -1.675 1.00 0.00 C ATOM 1152 CD2 LEU A 93 -0.888 -2.084 -1.787 1.00 0.00 C ATOM 0 H LEU A 93 0.228 0.230 -6.386 1.00 0.00 H new ATOM 0 HA LEU A 93 2.212 -0.144 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.191 0.292 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.764 -0.717 -4.064 1.00 0.00 H new ATOM 0 HG LEU A 93 0.579 -2.711 -3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.674 -2.535 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.508 -1.591 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.480 -0.767 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.732 -2.928 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.127 -1.195 -1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.713 -2.306 -2.464 1.00 0.00 H new ATOM 1164 N VAL A 94 2.606 -2.414 -5.164 1.00 0.00 N ATOM 1165 CA VAL A 94 2.961 -3.719 -5.728 1.00 0.00 C ATOM 1166 C VAL A 94 3.017 -4.722 -4.581 1.00 0.00 C ATOM 1167 O VAL A 94 3.784 -4.545 -3.625 1.00 0.00 O ATOM 1168 CB VAL A 94 4.341 -3.685 -6.494 1.00 0.00 C ATOM 1169 CG1 VAL A 94 4.743 -5.086 -7.023 1.00 0.00 C ATOM 1170 CG2 VAL A 94 4.301 -2.651 -7.643 1.00 0.00 C ATOM 0 H VAL A 94 3.317 -2.038 -4.537 1.00 0.00 H new ATOM 0 HA VAL A 94 2.208 -4.005 -6.462 1.00 0.00 H new ATOM 0 HB VAL A 94 5.105 -3.379 -5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.698 -5.018 -7.544 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.834 -5.778 -6.186 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.979 -5.448 -7.712 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.261 -2.643 -8.159 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.513 -2.920 -8.347 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.100 -1.661 -7.234 1.00 0.00 H new ATOM 1180 N ILE A 95 2.162 -5.745 -4.656 1.00 0.00 N ATOM 1181 CA ILE A 95 2.075 -6.781 -3.628 1.00 0.00 C ATOM 1182 C ILE A 95 2.697 -8.074 -4.169 1.00 0.00 C ATOM 1183 O ILE A 95 2.474 -8.426 -5.335 1.00 0.00 O ATOM 1184 CB ILE A 95 0.596 -7.050 -3.185 1.00 0.00 C ATOM 1185 CG1 ILE A 95 -0.189 -5.715 -2.963 1.00 0.00 C ATOM 1186 CG2 ILE A 95 0.591 -7.912 -1.907 1.00 0.00 C ATOM 1187 CD1 ILE A 95 -1.637 -5.892 -2.521 1.00 0.00 C ATOM 0 H ILE A 95 1.512 -5.877 -5.431 1.00 0.00 H new ATOM 0 HA ILE A 95 2.619 -6.433 -2.750 1.00 0.00 H new ATOM 0 HB ILE A 95 0.087 -7.590 -3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.335 -5.122 -2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.174 -5.142 -3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.438 -8.099 -1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.089 -8.861 -2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.118 -7.386 -1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.100 -4.914 -2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.182 -6.455 -3.278 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.665 -6.434 -1.576 1.00 0.00 H new ATOM 1199 N LYS A 96 3.452 -8.783 -3.315 1.00 0.00 N ATOM 1200 CA LYS A 96 4.204 -9.995 -3.713 1.00 0.00 C ATOM 1201 C LYS A 96 3.356 -11.281 -3.541 1.00 0.00 C ATOM 1202 O LYS A 96 3.841 -12.383 -3.824 1.00 0.00 O ATOM 1203 CB LYS A 96 5.517 -10.103 -2.880 1.00 0.00 C ATOM 1204 CG LYS A 96 6.311 -8.787 -2.710 1.00 0.00 C ATOM 1205 CD LYS A 96 6.693 -8.122 -4.047 1.00 0.00 C ATOM 1206 CE LYS A 96 7.442 -6.797 -3.853 1.00 0.00 C ATOM 1207 NZ LYS A 96 8.729 -6.974 -3.129 1.00 0.00 N ATOM 0 H LYS A 96 3.562 -8.538 -2.331 1.00 0.00 H new ATOM 0 HA LYS A 96 4.450 -9.902 -4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.268 -10.486 -1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.166 -10.840 -3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.717 -8.087 -2.122 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.219 -8.991 -2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.315 -8.806 -4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.790 -7.943 -4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.635 -6.346 -4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.809 -6.103 -3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.252 -6.075 -3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.539 -7.267 -2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.297 -7.704 -3.604 1.00 0.00 H new