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 81 SER OG : rot 24:sc= 0.0389 USER MOD Set 1.2: A 86 HIS : no HE2:sc= 0.916 K(o=0.95,f=-3.1) USER MOD Set 2.1: A 64 GLN : amide:sc= 0.923 K(o=2,f=-4.1!) USER MOD Set 2.2: A 96 LYS NZ :NH3+ -121:sc= 1.05 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -108:sc= 0.234 (180deg=-0.0552) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0113) USER MOD Single : A 32 THR OG1 : rot -16:sc= 0.58 USER MOD Single : A 34 LYS NZ :NH3+ -175:sc= 0.0979 (180deg=0.0564) USER MOD Single : A 36 LYS NZ :NH3+ 171:sc=-0.00619 (180deg=-0.0909) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.419 USER MOD Single : A 46 SER OG : rot 180:sc= -0.269 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0.0017) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -139:sc= -0.26 (180deg=-1.68!) USER MOD Single : A 55 SER OG : rot 37:sc= 0.462 USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0605) USER MOD Single : A 59 LYS NZ :NH3+ -113:sc= -0.382 (180deg=-1.12) USER MOD Single : A 60 SER OG : rot 66:sc= 0.327 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 72 LYS NZ :NH3+ 177:sc= 0.386 (180deg=0.375) USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= -0.0635 (180deg=-0.399) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.27 USER MOD Single : A 82 GLN : amide:sc= -0.0557 X(o=-0.056,f=-0.2) USER MOD Single : A 83 HIS : no HE2:sc= -3.26! C(o=-3.3!,f=-2.2!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 25 -11.436 13.566 5.334 1.00 0.00 N ATOM 38 CA ILE A 25 -10.362 12.574 5.503 1.00 0.00 C ATOM 39 C ILE A 25 -9.725 12.289 4.115 1.00 0.00 C ATOM 40 O ILE A 25 -10.378 12.492 3.080 1.00 0.00 O ATOM 41 CB ILE A 25 -10.959 11.273 6.163 1.00 0.00 C ATOM 42 CG1 ILE A 25 -9.851 10.446 6.866 1.00 0.00 C ATOM 43 CG2 ILE A 25 -11.737 10.406 5.139 1.00 0.00 C ATOM 44 CD1 ILE A 25 -10.359 9.278 7.679 1.00 0.00 C ATOM 0 HA ILE A 25 -9.580 12.949 6.163 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.674 11.596 6.920 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.160 10.073 6.110 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.282 11.107 7.520 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.131 9.520 5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.562 10.985 4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.066 10.102 4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.516 8.758 8.134 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.026 9.642 8.461 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.902 8.591 7.029 1.00 0.00 H new ATOM 56 N MET A 26 -8.474 11.803 4.078 1.00 0.00 N ATOM 57 CA MET A 26 -7.750 11.629 2.798 1.00 0.00 C ATOM 58 C MET A 26 -8.177 10.319 2.114 1.00 0.00 C ATOM 59 O MET A 26 -7.851 9.217 2.573 1.00 0.00 O ATOM 60 CB MET A 26 -6.215 11.693 3.005 1.00 0.00 C ATOM 61 CG MET A 26 -5.748 13.055 3.517 1.00 0.00 C ATOM 62 SD MET A 26 -6.326 14.400 2.453 1.00 0.00 S ATOM 63 CE MET A 26 -5.929 15.855 3.417 1.00 0.00 C ATOM 0 H MET A 26 -7.945 11.526 4.904 1.00 0.00 H new ATOM 0 HA MET A 26 -8.017 12.455 2.138 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.915 10.920 3.713 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.715 11.473 2.062 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.116 13.209 4.531 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.659 13.072 3.567 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.235 16.748 2.871 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.455 15.814 4.371 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.855 15.890 3.597 1.00 0.00 H new ATOM 73 N LYS A 27 -8.958 10.486 1.028 1.00 0.00 N ATOM 74 CA LYS A 27 -9.470 9.397 0.188 1.00 0.00 C ATOM 75 C LYS A 27 -8.385 8.994 -0.823 1.00 0.00 C ATOM 76 O LYS A 27 -8.294 9.555 -1.925 1.00 0.00 O ATOM 77 CB LYS A 27 -10.759 9.856 -0.559 1.00 0.00 C ATOM 78 CG LYS A 27 -11.769 10.657 0.296 1.00 0.00 C ATOM 79 CD LYS A 27 -12.277 9.908 1.551 1.00 0.00 C ATOM 80 CE LYS A 27 -12.977 8.574 1.227 1.00 0.00 C ATOM 81 NZ LYS A 27 -14.056 8.736 0.217 1.00 0.00 N ATOM 0 H LYS A 27 -9.255 11.408 0.707 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.722 8.540 0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.466 10.467 -1.413 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.263 8.974 -0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.302 11.591 0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.624 10.921 -0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.435 9.716 2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.970 10.551 2.093 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.241 7.860 0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.397 8.155 2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.982 8.634 0.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.987 9.679 -0.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.955 8.008 -0.519 1.00 0.00 H new ATOM 95 N VAL A 28 -7.538 8.050 -0.415 1.00 0.00 N ATOM 96 CA VAL A 28 -6.347 7.663 -1.174 1.00 0.00 C ATOM 97 C VAL A 28 -6.647 6.452 -2.054 1.00 0.00 C ATOM 98 O VAL A 28 -6.930 5.361 -1.550 1.00 0.00 O ATOM 99 CB VAL A 28 -5.155 7.352 -0.206 1.00 0.00 C ATOM 100 CG1 VAL A 28 -3.866 6.991 -0.986 1.00 0.00 C ATOM 101 CG2 VAL A 28 -4.938 8.541 0.762 1.00 0.00 C ATOM 0 H VAL A 28 -7.658 7.530 0.454 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.062 8.497 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.408 6.474 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.061 6.782 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.048 6.110 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.581 7.827 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.108 8.318 1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.710 9.440 0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.843 8.703 1.347 1.00 0.00 H new ATOM 111 N THR A 29 -6.565 6.651 -3.370 1.00 0.00 N ATOM 112 CA THR A 29 -6.785 5.594 -4.341 1.00 0.00 C ATOM 113 C THR A 29 -5.482 4.806 -4.524 1.00 0.00 C ATOM 114 O THR A 29 -4.470 5.360 -4.918 1.00 0.00 O ATOM 115 CB THR A 29 -7.253 6.189 -5.703 1.00 0.00 C ATOM 116 OG1 THR A 29 -8.405 7.018 -5.489 1.00 0.00 O ATOM 117 CG2 THR A 29 -7.594 5.090 -6.732 1.00 0.00 C ATOM 0 H THR A 29 -6.343 7.555 -3.787 1.00 0.00 H new ATOM 0 HA THR A 29 -7.568 4.928 -3.978 1.00 0.00 H new ATOM 0 HB THR A 29 -6.430 6.777 -6.109 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.700 7.395 -6.344 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.915 5.552 -7.665 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.712 4.477 -6.916 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.396 4.463 -6.343 1.00 0.00 H new ATOM 125 N VAL A 30 -5.492 3.526 -4.164 1.00 0.00 N ATOM 126 CA VAL A 30 -4.353 2.630 -4.379 1.00 0.00 C ATOM 127 C VAL A 30 -4.656 1.728 -5.580 1.00 0.00 C ATOM 128 O VAL A 30 -5.576 0.900 -5.533 1.00 0.00 O ATOM 129 CB VAL A 30 -4.056 1.796 -3.081 1.00 0.00 C ATOM 130 CG1 VAL A 30 -2.992 0.704 -3.316 1.00 0.00 C ATOM 131 CG2 VAL A 30 -3.626 2.739 -1.935 1.00 0.00 C ATOM 0 H VAL A 30 -6.290 3.077 -3.714 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.456 3.210 -4.595 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.977 1.284 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.822 0.156 -2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.341 0.016 -4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.060 1.168 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.422 2.153 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.726 3.280 -2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.426 3.450 -1.729 1.00 0.00 H new ATOM 141 N LYS A 31 -3.887 1.927 -6.659 1.00 0.00 N ATOM 142 CA LYS A 31 -4.028 1.187 -7.922 1.00 0.00 C ATOM 143 C LYS A 31 -2.957 0.085 -7.940 1.00 0.00 C ATOM 144 O LYS A 31 -1.800 0.329 -7.589 1.00 0.00 O ATOM 145 CB LYS A 31 -3.865 2.176 -9.122 1.00 0.00 C ATOM 146 CG LYS A 31 -4.370 1.691 -10.516 1.00 0.00 C ATOM 147 CD LYS A 31 -3.443 0.659 -11.211 1.00 0.00 C ATOM 148 CE LYS A 31 -2.018 1.188 -11.461 1.00 0.00 C ATOM 149 NZ LYS A 31 -2.007 2.406 -12.299 1.00 0.00 N ATOM 0 H LYS A 31 -3.137 2.618 -6.680 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.013 0.727 -8.009 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.390 3.098 -8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.808 2.426 -9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.359 1.250 -10.397 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.484 2.556 -11.169 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.386 -0.239 -10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.886 0.367 -12.163 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.541 1.404 -10.505 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.425 0.412 -11.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.024 2.684 -12.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.498 2.215 -13.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.491 3.177 -11.797 1.00 0.00 H new ATOM 163 N THR A 32 -3.358 -1.118 -8.360 1.00 0.00 N ATOM 164 CA THR A 32 -2.515 -2.328 -8.349 1.00 0.00 C ATOM 165 C THR A 32 -2.533 -2.999 -9.743 1.00 0.00 C ATOM 166 O THR A 32 -3.389 -2.656 -10.570 1.00 0.00 O ATOM 167 CB THR A 32 -3.047 -3.319 -7.263 1.00 0.00 C ATOM 168 OG1 THR A 32 -4.434 -3.595 -7.497 1.00 0.00 O ATOM 169 CG2 THR A 32 -2.875 -2.761 -5.853 1.00 0.00 C ATOM 0 H THR A 32 -4.295 -1.287 -8.725 1.00 0.00 H new ATOM 0 HA THR A 32 -1.487 -2.053 -8.111 1.00 0.00 H new ATOM 0 HB THR A 32 -2.462 -4.236 -7.338 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.803 -2.922 -8.106 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.257 -3.480 -5.128 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.818 -2.578 -5.660 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.427 -1.826 -5.762 1.00 0.00 H new ATOM 177 N PRO A 33 -1.597 -3.964 -10.052 1.00 0.00 N ATOM 178 CA PRO A 33 -1.626 -4.753 -11.331 1.00 0.00 C ATOM 179 C PRO A 33 -2.748 -5.833 -11.372 1.00 0.00 C ATOM 180 O PRO A 33 -2.576 -6.892 -11.988 1.00 0.00 O ATOM 181 CB PRO A 33 -0.219 -5.404 -11.343 1.00 0.00 C ATOM 182 CG PRO A 33 0.136 -5.561 -9.897 1.00 0.00 C ATOM 183 CD PRO A 33 -0.406 -4.327 -9.221 1.00 0.00 C ATOM 0 HA PRO A 33 -1.845 -4.129 -12.197 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.232 -6.366 -11.855 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.504 -4.776 -11.863 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.306 -6.465 -9.479 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.215 -5.642 -9.763 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.685 -4.527 -8.186 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.330 -3.524 -9.203 1.00 0.00 H new ATOM 191 N LYS A 34 -3.910 -5.527 -10.769 1.00 0.00 N ATOM 192 CA LYS A 34 -5.007 -6.488 -10.587 1.00 0.00 C ATOM 193 C LYS A 34 -6.354 -5.766 -10.409 1.00 0.00 C ATOM 194 O LYS A 34 -7.375 -6.207 -10.950 1.00 0.00 O ATOM 195 CB LYS A 34 -4.694 -7.428 -9.377 1.00 0.00 C ATOM 196 CG LYS A 34 -4.305 -6.703 -8.067 1.00 0.00 C ATOM 197 CD LYS A 34 -3.663 -7.633 -7.014 1.00 0.00 C ATOM 198 CE LYS A 34 -4.587 -8.779 -6.561 1.00 0.00 C ATOM 199 NZ LYS A 34 -5.792 -8.297 -5.845 1.00 0.00 N ATOM 0 H LYS A 34 -4.114 -4.601 -10.393 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.090 -7.100 -11.485 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.568 -8.050 -9.184 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.882 -8.098 -9.658 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.609 -5.897 -8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.195 -6.242 -7.638 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.747 -8.057 -7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.378 -7.041 -6.144 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.895 -9.357 -7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.030 -9.454 -5.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.334 -9.111 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.504 -7.697 -5.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.385 -7.744 -6.496 1.00 0.00 H new ATOM 213 N GLU A 35 -6.342 -4.653 -9.663 1.00 0.00 N ATOM 214 CA GLU A 35 -7.563 -3.903 -9.301 1.00 0.00 C ATOM 215 C GLU A 35 -7.184 -2.482 -8.848 1.00 0.00 C ATOM 216 O GLU A 35 -6.084 -2.002 -9.133 1.00 0.00 O ATOM 217 CB GLU A 35 -8.329 -4.670 -8.176 1.00 0.00 C ATOM 218 CG GLU A 35 -7.523 -4.837 -6.877 1.00 0.00 C ATOM 219 CD GLU A 35 -8.263 -5.619 -5.786 1.00 0.00 C ATOM 220 OE1 GLU A 35 -8.185 -6.862 -5.784 1.00 0.00 O ATOM 221 OE2 GLU A 35 -8.913 -5.001 -4.920 1.00 0.00 O ATOM 0 H GLU A 35 -5.486 -4.243 -9.290 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.219 -3.819 -10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.254 -4.139 -7.952 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.609 -5.656 -8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.587 -5.346 -7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.264 -3.851 -6.492 1.00 0.00 H new ATOM 228 N LYS A 36 -8.123 -1.810 -8.179 1.00 0.00 N ATOM 229 CA LYS A 36 -7.895 -0.530 -7.498 1.00 0.00 C ATOM 230 C LYS A 36 -8.787 -0.468 -6.247 1.00 0.00 C ATOM 231 O LYS A 36 -9.746 -1.240 -6.124 1.00 0.00 O ATOM 232 CB LYS A 36 -8.143 0.663 -8.481 1.00 0.00 C ATOM 233 CG LYS A 36 -9.544 0.700 -9.168 1.00 0.00 C ATOM 234 CD LYS A 36 -10.651 1.416 -8.344 1.00 0.00 C ATOM 235 CE LYS A 36 -10.385 2.918 -8.154 1.00 0.00 C ATOM 236 NZ LYS A 36 -10.347 3.648 -9.445 1.00 0.00 N ATOM 0 H LYS A 36 -9.082 -2.145 -8.093 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.857 -0.449 -7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.004 1.595 -7.933 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.379 0.633 -9.258 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.448 1.198 -10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.863 -0.323 -9.368 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.611 1.283 -8.844 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.732 0.941 -7.366 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.162 3.345 -7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.437 3.054 -7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.318 4.672 -9.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.500 3.367 -9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.197 3.418 -9.999 1.00 0.00 H new ATOM 250 N GLU A 37 -8.481 0.460 -5.338 1.00 0.00 N ATOM 251 CA GLU A 37 -9.187 0.595 -4.049 1.00 0.00 C ATOM 252 C GLU A 37 -9.098 2.052 -3.562 1.00 0.00 C ATOM 253 O GLU A 37 -8.248 2.805 -4.031 1.00 0.00 O ATOM 254 CB GLU A 37 -8.554 -0.389 -3.012 1.00 0.00 C ATOM 255 CG GLU A 37 -9.234 -0.435 -1.629 1.00 0.00 C ATOM 256 CD GLU A 37 -10.704 -0.876 -1.686 1.00 0.00 C ATOM 257 OE1 GLU A 37 -10.967 -2.092 -1.683 1.00 0.00 O ATOM 258 OE2 GLU A 37 -11.611 -0.008 -1.720 1.00 0.00 O ATOM 0 H GLU A 37 -7.736 1.144 -5.469 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.241 0.342 -4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.568 -1.393 -3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.508 -0.117 -2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.682 -1.119 -0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.176 0.552 -1.171 1.00 0.00 H new ATOM 265 N GLU A 38 -10.000 2.442 -2.645 1.00 0.00 N ATOM 266 CA GLU A 38 -9.977 3.751 -1.980 1.00 0.00 C ATOM 267 C GLU A 38 -9.942 3.540 -0.457 1.00 0.00 C ATOM 268 O GLU A 38 -10.804 2.857 0.108 1.00 0.00 O ATOM 269 CB GLU A 38 -11.213 4.594 -2.380 1.00 0.00 C ATOM 270 CG GLU A 38 -11.273 5.995 -1.734 1.00 0.00 C ATOM 271 CD GLU A 38 -12.548 6.766 -2.105 1.00 0.00 C ATOM 272 OE1 GLU A 38 -13.603 6.526 -1.483 1.00 0.00 O ATOM 273 OE2 GLU A 38 -12.509 7.607 -3.019 1.00 0.00 O ATOM 0 H GLU A 38 -10.773 1.849 -2.343 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.087 4.296 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.223 4.708 -3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.114 4.044 -2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.218 5.893 -0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.402 6.571 -2.045 1.00 0.00 H new ATOM 280 N PHE A 39 -8.923 4.111 0.180 1.00 0.00 N ATOM 281 CA PHE A 39 -8.747 4.107 1.638 1.00 0.00 C ATOM 282 C PHE A 39 -9.109 5.483 2.202 1.00 0.00 C ATOM 283 O PHE A 39 -9.196 6.464 1.460 1.00 0.00 O ATOM 284 CB PHE A 39 -7.288 3.742 2.000 1.00 0.00 C ATOM 285 CG PHE A 39 -6.911 2.319 1.602 1.00 0.00 C ATOM 286 CD1 PHE A 39 -6.398 2.044 0.338 1.00 0.00 C ATOM 287 CD2 PHE A 39 -7.089 1.258 2.491 1.00 0.00 C ATOM 288 CE1 PHE A 39 -6.076 0.754 -0.027 1.00 0.00 C ATOM 289 CE2 PHE A 39 -6.768 -0.030 2.122 1.00 0.00 C ATOM 290 CZ PHE A 39 -6.258 -0.282 0.863 1.00 0.00 C ATOM 0 H PHE A 39 -8.176 4.602 -0.311 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.407 3.358 2.077 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.612 4.442 1.508 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.145 3.862 3.074 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.250 2.850 -0.365 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.482 1.449 3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.680 0.555 -1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.915 -0.843 2.817 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.002 -1.291 0.576 1.00 0.00 H new ATOM 300 N ALA A 40 -9.319 5.543 3.517 1.00 0.00 N ATOM 301 CA ALA A 40 -9.632 6.778 4.238 1.00 0.00 C ATOM 302 C ALA A 40 -8.681 6.886 5.438 1.00 0.00 C ATOM 303 O ALA A 40 -8.818 6.137 6.412 1.00 0.00 O ATOM 304 CB ALA A 40 -11.107 6.770 4.671 1.00 0.00 C ATOM 0 H ALA A 40 -9.276 4.722 4.121 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.491 7.650 3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.334 7.692 5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.744 6.696 3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.290 5.916 5.324 1.00 0.00 H new ATOM 310 N VAL A 41 -7.692 7.794 5.335 1.00 0.00 N ATOM 311 CA VAL A 41 -6.627 7.982 6.350 1.00 0.00 C ATOM 312 C VAL A 41 -6.554 9.469 6.741 1.00 0.00 C ATOM 313 O VAL A 41 -6.695 10.333 5.876 1.00 0.00 O ATOM 314 CB VAL A 41 -5.224 7.472 5.843 1.00 0.00 C ATOM 315 CG1 VAL A 41 -5.232 5.940 5.643 1.00 0.00 C ATOM 316 CG2 VAL A 41 -4.775 8.196 4.545 1.00 0.00 C ATOM 0 H VAL A 41 -7.605 8.426 4.539 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.882 7.383 7.224 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.496 7.715 6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.253 5.614 5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.461 5.451 6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.988 5.673 4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.804 7.813 4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.506 8.017 3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.699 9.267 4.733 1.00 0.00 H new ATOM 326 N PRO A 42 -6.367 9.808 8.055 1.00 0.00 N ATOM 327 CA PRO A 42 -6.456 11.209 8.547 1.00 0.00 C ATOM 328 C PRO A 42 -5.145 12.007 8.346 1.00 0.00 C ATOM 329 O PRO A 42 -4.755 12.784 9.221 1.00 0.00 O ATOM 330 CB PRO A 42 -6.775 10.983 10.038 1.00 0.00 C ATOM 331 CG PRO A 42 -6.003 9.750 10.396 1.00 0.00 C ATOM 332 CD PRO A 42 -6.067 8.858 9.172 1.00 0.00 C ATOM 0 HA PRO A 42 -7.192 11.811 8.014 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.468 11.835 10.645 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.844 10.845 10.200 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.971 9.994 10.650 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.437 9.255 11.265 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.125 8.333 9.009 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.842 8.098 9.270 1.00 0.00 H new ATOM 340 N GLU A 43 -4.482 11.779 7.183 1.00 0.00 N ATOM 341 CA GLU A 43 -3.175 12.377 6.767 1.00 0.00 C ATOM 342 C GLU A 43 -2.045 12.224 7.818 1.00 0.00 C ATOM 343 O GLU A 43 -0.956 12.790 7.652 1.00 0.00 O ATOM 344 CB GLU A 43 -3.323 13.868 6.307 1.00 0.00 C ATOM 345 CG GLU A 43 -3.465 14.913 7.430 1.00 0.00 C ATOM 346 CD GLU A 43 -3.509 16.353 6.920 1.00 0.00 C ATOM 347 OE1 GLU A 43 -4.520 16.741 6.311 1.00 0.00 O ATOM 348 OE2 GLU A 43 -2.522 17.101 7.103 1.00 0.00 O ATOM 0 H GLU A 43 -4.855 11.147 6.475 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.864 11.787 5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.453 14.129 5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.195 13.942 5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.375 14.708 7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.630 14.806 8.122 1.00 0.00 H new ATOM 355 N ASN A 44 -2.287 11.417 8.866 1.00 0.00 N ATOM 356 CA ASN A 44 -1.341 11.205 9.968 1.00 0.00 C ATOM 357 C ASN A 44 -0.682 9.841 9.791 1.00 0.00 C ATOM 358 O ASN A 44 0.494 9.683 10.103 1.00 0.00 O ATOM 359 CB ASN A 44 -2.058 11.304 11.345 1.00 0.00 C ATOM 360 CG ASN A 44 -1.126 10.994 12.529 1.00 0.00 C ATOM 361 OD1 ASN A 44 -1.035 9.851 12.989 1.00 0.00 O ATOM 362 ND2 ASN A 44 -0.404 11.999 13.003 1.00 0.00 N ATOM 0 H ASN A 44 -3.154 10.890 8.970 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.578 11.983 9.947 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.467 12.307 11.464 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.900 10.612 11.361 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.250 11.840 13.769 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.502 12.931 12.601 1.00 0.00 H new ATOM 369 N SER A 45 -1.469 8.869 9.280 1.00 0.00 N ATOM 370 CA SER A 45 -1.002 7.508 9.001 1.00 0.00 C ATOM 371 C SER A 45 0.234 7.533 8.076 1.00 0.00 C ATOM 372 O SER A 45 0.179 8.089 6.982 1.00 0.00 O ATOM 373 CB SER A 45 -2.150 6.695 8.352 1.00 0.00 C ATOM 374 OG SER A 45 -3.341 6.806 9.115 1.00 0.00 O ATOM 0 H SER A 45 -2.452 9.016 9.051 1.00 0.00 H new ATOM 0 HA SER A 45 -0.709 7.033 9.937 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.328 7.054 7.338 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.860 5.647 8.273 1.00 0.00 H new ATOM 0 HG SER A 45 -4.053 6.287 8.687 1.00 0.00 H new ATOM 380 N SER A 46 1.359 7.013 8.578 1.00 0.00 N ATOM 381 CA SER A 46 2.576 6.798 7.775 1.00 0.00 C ATOM 382 C SER A 46 2.370 5.623 6.807 1.00 0.00 C ATOM 383 O SER A 46 1.436 4.837 6.989 1.00 0.00 O ATOM 384 CB SER A 46 3.781 6.537 8.706 1.00 0.00 C ATOM 385 OG SER A 46 3.954 7.602 9.626 1.00 0.00 O ATOM 0 H SER A 46 1.456 6.728 9.553 1.00 0.00 H new ATOM 0 HA SER A 46 2.780 7.693 7.187 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.630 5.604 9.249 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.686 6.416 8.110 1.00 0.00 H new ATOM 0 HG SER A 46 4.722 7.413 10.205 1.00 0.00 H new ATOM 391 N VAL A 47 3.250 5.494 5.789 1.00 0.00 N ATOM 392 CA VAL A 47 3.193 4.364 4.829 1.00 0.00 C ATOM 393 C VAL A 47 3.396 3.022 5.565 1.00 0.00 C ATOM 394 O VAL A 47 2.792 2.014 5.193 1.00 0.00 O ATOM 395 CB VAL A 47 4.233 4.532 3.656 1.00 0.00 C ATOM 396 CG1 VAL A 47 4.281 3.288 2.726 1.00 0.00 C ATOM 397 CG2 VAL A 47 3.928 5.814 2.842 1.00 0.00 C ATOM 0 H VAL A 47 4.006 6.155 5.610 1.00 0.00 H new ATOM 0 HA VAL A 47 2.202 4.365 4.375 1.00 0.00 H new ATOM 0 HB VAL A 47 5.219 4.627 4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.012 3.453 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.567 2.411 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.298 3.126 2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.655 5.915 2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.925 5.747 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.989 6.684 3.496 1.00 0.00 H new ATOM 407 N GLN A 48 4.197 3.051 6.657 1.00 0.00 N ATOM 408 CA GLN A 48 4.420 1.872 7.527 1.00 0.00 C ATOM 409 C GLN A 48 3.117 1.399 8.210 1.00 0.00 C ATOM 410 O GLN A 48 2.984 0.222 8.541 1.00 0.00 O ATOM 411 CB GLN A 48 5.499 2.147 8.608 1.00 0.00 C ATOM 412 CG GLN A 48 5.144 3.232 9.643 1.00 0.00 C ATOM 413 CD GLN A 48 6.204 3.395 10.735 1.00 0.00 C ATOM 414 OE1 GLN A 48 7.131 4.201 10.607 1.00 0.00 O ATOM 415 NE2 GLN A 48 6.083 2.622 11.810 1.00 0.00 N ATOM 0 H GLN A 48 4.702 3.884 6.957 1.00 0.00 H new ATOM 0 HA GLN A 48 4.775 1.078 6.870 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.701 1.217 9.139 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.423 2.436 8.108 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.011 4.184 9.130 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.189 2.984 10.107 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.304 1.967 11.882 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.769 2.684 12.562 1.00 0.00 H new ATOM 424 N GLN A 49 2.183 2.334 8.460 1.00 0.00 N ATOM 425 CA GLN A 49 0.858 2.021 9.038 1.00 0.00 C ATOM 426 C GLN A 49 -0.244 1.953 7.957 1.00 0.00 C ATOM 427 O GLN A 49 -1.369 1.515 8.236 1.00 0.00 O ATOM 428 CB GLN A 49 0.501 3.039 10.150 1.00 0.00 C ATOM 429 CG GLN A 49 1.475 3.013 11.347 1.00 0.00 C ATOM 430 CD GLN A 49 0.971 3.804 12.554 1.00 0.00 C ATOM 431 OE1 GLN A 49 0.276 3.269 13.419 1.00 0.00 O ATOM 432 NE2 GLN A 49 1.320 5.068 12.631 1.00 0.00 N ATOM 0 H GLN A 49 2.322 3.326 8.269 1.00 0.00 H new ATOM 0 HA GLN A 49 0.915 1.029 9.486 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.490 4.042 9.723 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.508 2.834 10.509 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.646 1.979 11.645 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.437 3.417 11.032 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.896 5.483 11.899 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.015 5.634 13.423 1.00 0.00 H new ATOM 441 N PHE A 50 0.091 2.373 6.726 1.00 0.00 N ATOM 442 CA PHE A 50 -0.863 2.426 5.600 1.00 0.00 C ATOM 443 C PHE A 50 -0.939 1.069 4.881 1.00 0.00 C ATOM 444 O PHE A 50 -2.038 0.604 4.542 1.00 0.00 O ATOM 445 CB PHE A 50 -0.467 3.556 4.612 1.00 0.00 C ATOM 446 CG PHE A 50 -1.464 3.788 3.477 1.00 0.00 C ATOM 447 CD1 PHE A 50 -2.770 4.177 3.752 1.00 0.00 C ATOM 448 CD2 PHE A 50 -1.106 3.602 2.147 1.00 0.00 C ATOM 449 CE1 PHE A 50 -3.683 4.381 2.735 1.00 0.00 C ATOM 450 CE2 PHE A 50 -2.017 3.802 1.130 1.00 0.00 C ATOM 451 CZ PHE A 50 -3.306 4.192 1.426 1.00 0.00 C ATOM 0 H PHE A 50 1.030 2.686 6.481 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.854 2.648 5.997 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.350 4.485 5.171 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.506 3.319 4.181 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.076 4.322 4.777 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.099 3.296 1.906 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.692 4.689 2.968 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.720 3.653 0.102 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.019 4.349 0.630 1.00 0.00 H new ATOM 461 N LYS A 51 0.232 0.422 4.661 1.00 0.00 N ATOM 462 CA LYS A 51 0.290 -0.896 3.981 1.00 0.00 C ATOM 463 C LYS A 51 -0.275 -2.014 4.882 1.00 0.00 C ATOM 464 O LYS A 51 -0.595 -3.104 4.404 1.00 0.00 O ATOM 465 CB LYS A 51 1.714 -1.233 3.424 1.00 0.00 C ATOM 466 CG LYS A 51 2.726 -1.958 4.353 1.00 0.00 C ATOM 467 CD LYS A 51 3.202 -1.107 5.547 1.00 0.00 C ATOM 468 CE LYS A 51 4.523 -1.612 6.163 1.00 0.00 C ATOM 469 NZ LYS A 51 4.429 -2.995 6.668 1.00 0.00 N ATOM 0 H LYS A 51 1.142 0.788 4.942 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.354 -0.830 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.584 -1.848 2.534 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.172 -0.298 3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.267 -2.871 4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.593 -2.258 3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.331 -0.075 5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.428 -1.104 6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.312 -1.557 5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.813 -0.951 6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.931 -3.068 7.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.429 -3.248 6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.860 -3.646 5.981 1.00 0.00 H new ATOM 483 N GLU A 52 -0.383 -1.709 6.190 1.00 0.00 N ATOM 484 CA GLU A 52 -1.098 -2.535 7.177 1.00 0.00 C ATOM 485 C GLU A 52 -2.592 -2.637 6.795 1.00 0.00 C ATOM 486 O GLU A 52 -3.164 -3.729 6.734 1.00 0.00 O ATOM 487 CB GLU A 52 -0.972 -1.899 8.586 1.00 0.00 C ATOM 488 CG GLU A 52 0.462 -1.605 9.049 1.00 0.00 C ATOM 489 CD GLU A 52 1.313 -2.852 9.311 1.00 0.00 C ATOM 490 OE1 GLU A 52 1.063 -3.562 10.305 1.00 0.00 O ATOM 491 OE2 GLU A 52 2.253 -3.114 8.544 1.00 0.00 O ATOM 0 H GLU A 52 0.031 -0.869 6.594 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.658 -3.532 7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.538 -0.967 8.598 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.440 -2.565 9.310 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.957 -0.995 8.293 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.421 -1.010 9.961 1.00 0.00 H new ATOM 498 N GLU A 53 -3.199 -1.462 6.530 1.00 0.00 N ATOM 499 CA GLU A 53 -4.609 -1.346 6.116 1.00 0.00 C ATOM 500 C GLU A 53 -4.828 -1.983 4.734 1.00 0.00 C ATOM 501 O GLU A 53 -5.889 -2.552 4.463 1.00 0.00 O ATOM 502 CB GLU A 53 -5.034 0.146 6.113 1.00 0.00 C ATOM 503 CG GLU A 53 -4.917 0.840 7.487 1.00 0.00 C ATOM 504 CD GLU A 53 -5.788 0.181 8.573 1.00 0.00 C ATOM 505 OE1 GLU A 53 -7.001 0.466 8.625 1.00 0.00 O ATOM 506 OE2 GLU A 53 -5.276 -0.635 9.372 1.00 0.00 O ATOM 0 H GLU A 53 -2.721 -0.564 6.598 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.231 -1.886 6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.420 0.686 5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.066 0.218 5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.875 0.826 7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.205 1.886 7.384 1.00 0.00 H new ATOM 513 N ILE A 54 -3.805 -1.880 3.876 1.00 0.00 N ATOM 514 CA ILE A 54 -3.783 -2.543 2.564 1.00 0.00 C ATOM 515 C ILE A 54 -3.763 -4.086 2.719 1.00 0.00 C ATOM 516 O ILE A 54 -4.409 -4.792 1.948 1.00 0.00 O ATOM 517 CB ILE A 54 -2.540 -2.072 1.722 1.00 0.00 C ATOM 518 CG1 ILE A 54 -2.620 -0.545 1.380 1.00 0.00 C ATOM 519 CG2 ILE A 54 -2.382 -2.908 0.444 1.00 0.00 C ATOM 520 CD1 ILE A 54 -1.434 0.002 0.589 1.00 0.00 C ATOM 0 H ILE A 54 -2.967 -1.333 4.072 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.693 -2.260 2.036 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.656 -2.229 2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.532 -0.363 0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.707 0.016 2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.514 -2.557 -0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.243 -3.956 0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.276 -2.805 -0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.581 1.066 0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.518 -0.142 1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.355 -0.527 -0.361 1.00 0.00 H new ATOM 532 N SER A 55 -3.022 -4.580 3.730 1.00 0.00 N ATOM 533 CA SER A 55 -2.790 -6.025 3.939 1.00 0.00 C ATOM 534 C SER A 55 -4.105 -6.805 4.135 1.00 0.00 C ATOM 535 O SER A 55 -4.369 -7.795 3.440 1.00 0.00 O ATOM 536 CB SER A 55 -1.853 -6.244 5.147 1.00 0.00 C ATOM 537 OG SER A 55 -1.535 -7.613 5.346 1.00 0.00 O ATOM 0 H SER A 55 -2.567 -3.989 4.426 1.00 0.00 H new ATOM 0 HA SER A 55 -2.316 -6.412 3.037 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.933 -5.679 4.997 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.326 -5.850 6.046 1.00 0.00 H new ATOM 0 HG SER A 55 -1.440 -8.057 4.477 1.00 0.00 H new ATOM 543 N LYS A 56 -4.914 -6.322 5.085 1.00 0.00 N ATOM 544 CA LYS A 56 -6.218 -6.918 5.437 1.00 0.00 C ATOM 545 C LYS A 56 -7.264 -6.713 4.316 1.00 0.00 C ATOM 546 O LYS A 56 -8.212 -7.498 4.184 1.00 0.00 O ATOM 547 CB LYS A 56 -6.703 -6.303 6.779 1.00 0.00 C ATOM 548 CG LYS A 56 -6.794 -4.755 6.790 1.00 0.00 C ATOM 549 CD LYS A 56 -7.036 -4.168 8.205 1.00 0.00 C ATOM 550 CE LYS A 56 -8.373 -4.612 8.817 1.00 0.00 C ATOM 551 NZ LYS A 56 -9.531 -4.153 8.009 1.00 0.00 N ATOM 0 H LYS A 56 -4.684 -5.498 5.640 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.097 -7.995 5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.685 -6.712 7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.026 -6.619 7.573 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.871 -4.340 6.384 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.602 -4.440 6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.222 -4.473 8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.011 -3.080 8.150 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.393 -5.699 8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.458 -4.218 9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.414 -4.369 8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.462 -3.127 7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.529 -4.642 7.091 1.00 0.00 H new ATOM 565 N ARG A 57 -7.055 -5.657 3.511 1.00 0.00 N ATOM 566 CA ARG A 57 -7.985 -5.243 2.442 1.00 0.00 C ATOM 567 C ARG A 57 -7.845 -6.166 1.214 1.00 0.00 C ATOM 568 O ARG A 57 -8.832 -6.689 0.688 1.00 0.00 O ATOM 569 CB ARG A 57 -7.669 -3.776 2.039 1.00 0.00 C ATOM 570 CG ARG A 57 -8.758 -3.052 1.226 1.00 0.00 C ATOM 571 CD ARG A 57 -10.041 -2.813 2.040 1.00 0.00 C ATOM 572 NE ARG A 57 -10.856 -1.743 1.454 1.00 0.00 N ATOM 573 CZ ARG A 57 -10.898 -0.473 1.904 1.00 0.00 C ATOM 574 NH1 ARG A 57 -10.276 -0.127 3.030 1.00 0.00 N ATOM 575 NH2 ARG A 57 -11.580 0.435 1.235 1.00 0.00 N ATOM 0 H ARG A 57 -6.230 -5.061 3.583 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.009 -5.315 2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.479 -3.203 2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.746 -3.770 1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.370 -2.095 0.877 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.998 -3.641 0.341 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.623 -3.734 2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.780 -2.553 3.066 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.433 -1.977 0.647 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.760 -0.827 3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.316 0.838 3.359 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.073 0.175 0.381 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.615 1.397 1.572 1.00 0.00 H new ATOM 589 N PHE A 58 -6.584 -6.348 0.785 1.00 0.00 N ATOM 590 CA PHE A 58 -6.219 -7.134 -0.407 1.00 0.00 C ATOM 591 C PHE A 58 -5.966 -8.611 -0.067 1.00 0.00 C ATOM 592 O PHE A 58 -5.692 -9.400 -0.978 1.00 0.00 O ATOM 593 CB PHE A 58 -4.966 -6.510 -1.091 1.00 0.00 C ATOM 594 CG PHE A 58 -5.250 -5.232 -1.887 1.00 0.00 C ATOM 595 CD1 PHE A 58 -5.449 -4.004 -1.250 1.00 0.00 C ATOM 596 CD2 PHE A 58 -5.322 -5.267 -3.278 1.00 0.00 C ATOM 597 CE1 PHE A 58 -5.699 -2.856 -1.983 1.00 0.00 C ATOM 598 CE2 PHE A 58 -5.568 -4.125 -4.006 1.00 0.00 C ATOM 599 CZ PHE A 58 -5.762 -2.918 -3.362 1.00 0.00 C ATOM 0 H PHE A 58 -5.777 -5.947 1.264 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.062 -7.102 -1.098 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.222 -6.289 -0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.526 -7.250 -1.760 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.407 -3.950 -0.172 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.182 -6.206 -3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.845 -1.913 -1.477 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.610 -4.173 -5.084 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.962 -2.025 -3.935 1.00 0.00 H new ATOM 609 N LYS A 59 -6.037 -8.972 1.243 1.00 0.00 N ATOM 610 CA LYS A 59 -5.768 -10.351 1.741 1.00 0.00 C ATOM 611 C LYS A 59 -4.340 -10.808 1.367 1.00 0.00 C ATOM 612 O LYS A 59 -4.057 -12.002 1.192 1.00 0.00 O ATOM 613 CB LYS A 59 -6.856 -11.341 1.230 1.00 0.00 C ATOM 614 CG LYS A 59 -8.315 -11.013 1.682 1.00 0.00 C ATOM 615 CD LYS A 59 -8.788 -11.685 3.014 1.00 0.00 C ATOM 616 CE LYS A 59 -7.985 -11.292 4.277 1.00 0.00 C ATOM 617 NZ LYS A 59 -6.746 -12.106 4.442 1.00 0.00 N ATOM 0 H LYS A 59 -6.282 -8.316 1.984 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.822 -10.343 2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.825 -11.360 0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.603 -12.344 1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.406 -9.932 1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.997 -11.312 0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.836 -11.432 3.177 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.737 -12.767 2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.718 -10.237 4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.616 -11.414 5.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.837 -12.710 5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.608 -12.703 3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.928 -11.474 4.556 1.00 0.00 H new ATOM 631 N SER A 60 -3.441 -9.820 1.314 1.00 0.00 N ATOM 632 CA SER A 60 -2.045 -9.988 0.913 1.00 0.00 C ATOM 633 C SER A 60 -1.152 -9.413 2.019 1.00 0.00 C ATOM 634 O SER A 60 -1.396 -8.304 2.467 1.00 0.00 O ATOM 635 CB SER A 60 -1.810 -9.253 -0.424 1.00 0.00 C ATOM 636 OG SER A 60 -2.696 -9.718 -1.433 1.00 0.00 O ATOM 0 H SER A 60 -3.673 -8.857 1.556 1.00 0.00 H new ATOM 0 HA SER A 60 -1.805 -11.042 0.772 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.949 -8.181 -0.281 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.779 -9.401 -0.746 1.00 0.00 H new ATOM 0 HG SER A 60 -3.617 -9.484 -1.193 1.00 0.00 H new ATOM 642 N HIS A 61 -0.124 -10.167 2.441 1.00 0.00 N ATOM 643 CA HIS A 61 0.758 -9.778 3.568 1.00 0.00 C ATOM 644 C HIS A 61 1.554 -8.502 3.234 1.00 0.00 C ATOM 645 O HIS A 61 1.884 -8.261 2.072 1.00 0.00 O ATOM 646 CB HIS A 61 1.718 -10.941 3.944 1.00 0.00 C ATOM 647 CG HIS A 61 1.054 -12.134 4.601 1.00 0.00 C ATOM 648 ND1 HIS A 61 1.758 -13.068 5.324 1.00 0.00 N ATOM 649 CD2 HIS A 61 -0.245 -12.530 4.665 1.00 0.00 C ATOM 650 CE1 HIS A 61 0.933 -13.976 5.794 1.00 0.00 C ATOM 651 NE2 HIS A 61 -0.288 -13.676 5.413 1.00 0.00 N ATOM 0 H HIS A 61 0.124 -11.061 2.017 1.00 0.00 H new ATOM 0 HA HIS A 61 0.125 -9.564 4.429 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.226 -11.279 3.041 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.485 -10.556 4.616 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.088 -12.032 4.209 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.213 -14.829 6.395 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -1.129 -14.208 5.637 1.00 0.00 H new ATOM 660 N THR A 62 1.849 -7.702 4.276 1.00 0.00 N ATOM 661 CA THR A 62 2.570 -6.422 4.158 1.00 0.00 C ATOM 662 C THR A 62 3.963 -6.592 3.520 1.00 0.00 C ATOM 663 O THR A 62 4.406 -5.744 2.745 1.00 0.00 O ATOM 664 CB THR A 62 2.731 -5.752 5.558 1.00 0.00 C ATOM 665 OG1 THR A 62 3.318 -6.683 6.480 1.00 0.00 O ATOM 666 CG2 THR A 62 1.401 -5.241 6.127 1.00 0.00 C ATOM 0 H THR A 62 1.590 -7.930 5.236 1.00 0.00 H new ATOM 0 HA THR A 62 1.971 -5.786 3.506 1.00 0.00 H new ATOM 0 HB THR A 62 3.382 -4.888 5.424 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.418 -6.256 7.357 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.574 -4.785 7.102 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.976 -4.500 5.450 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.707 -6.075 6.234 1.00 0.00 H new ATOM 674 N ASP A 63 4.640 -7.696 3.870 1.00 0.00 N ATOM 675 CA ASP A 63 5.989 -8.021 3.358 1.00 0.00 C ATOM 676 C ASP A 63 5.944 -8.365 1.853 1.00 0.00 C ATOM 677 O ASP A 63 6.958 -8.285 1.159 1.00 0.00 O ATOM 678 CB ASP A 63 6.580 -9.219 4.138 1.00 0.00 C ATOM 679 CG ASP A 63 6.528 -9.051 5.662 1.00 0.00 C ATOM 680 OD1 ASP A 63 5.476 -9.353 6.260 1.00 0.00 O ATOM 681 OD2 ASP A 63 7.528 -8.629 6.274 1.00 0.00 O ATOM 0 H ASP A 63 4.271 -8.393 4.517 1.00 0.00 H new ATOM 0 HA ASP A 63 6.620 -7.143 3.498 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.037 -10.123 3.863 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.616 -9.364 3.833 1.00 0.00 H new ATOM 686 N GLN A 64 4.755 -8.774 1.376 1.00 0.00 N ATOM 687 CA GLN A 64 4.518 -9.161 -0.028 1.00 0.00 C ATOM 688 C GLN A 64 4.226 -7.941 -0.927 1.00 0.00 C ATOM 689 O GLN A 64 4.437 -8.010 -2.134 1.00 0.00 O ATOM 690 CB GLN A 64 3.340 -10.173 -0.093 1.00 0.00 C ATOM 691 CG GLN A 64 3.658 -11.572 0.474 1.00 0.00 C ATOM 692 CD GLN A 64 4.499 -12.422 -0.482 1.00 0.00 C ATOM 693 OE1 GLN A 64 5.726 -12.361 -0.477 1.00 0.00 O ATOM 694 NE2 GLN A 64 3.842 -13.223 -1.306 1.00 0.00 N ATOM 0 H GLN A 64 3.922 -8.846 1.960 1.00 0.00 H new ATOM 0 HA GLN A 64 5.428 -9.626 -0.407 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.493 -9.759 0.454 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.028 -10.280 -1.132 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.189 -11.464 1.420 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.725 -12.092 0.690 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.823 -13.251 -1.286 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.355 -13.813 -1.961 1.00 0.00 H new ATOM 703 N LEU A 65 3.742 -6.833 -0.349 1.00 0.00 N ATOM 704 CA LEU A 65 3.316 -5.640 -1.125 1.00 0.00 C ATOM 705 C LEU A 65 4.144 -4.394 -0.759 1.00 0.00 C ATOM 706 O LEU A 65 4.478 -4.175 0.408 1.00 0.00 O ATOM 707 CB LEU A 65 1.776 -5.427 -0.962 1.00 0.00 C ATOM 708 CG LEU A 65 1.172 -5.436 0.491 1.00 0.00 C ATOM 709 CD1 LEU A 65 1.306 -4.077 1.202 1.00 0.00 C ATOM 710 CD2 LEU A 65 -0.300 -5.906 0.482 1.00 0.00 C ATOM 0 H LEU A 65 3.632 -6.730 0.660 1.00 0.00 H new ATOM 0 HA LEU A 65 3.513 -5.814 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.522 -4.472 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.270 -6.203 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 65 1.762 -6.152 1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.872 -4.144 2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.360 -3.810 1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.781 -3.313 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.690 -5.902 1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.893 -5.232 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.357 -6.916 0.076 1.00 0.00 H new ATOM 722 N VAL A 66 4.493 -3.599 -1.788 1.00 0.00 N ATOM 723 CA VAL A 66 5.278 -2.355 -1.646 1.00 0.00 C ATOM 724 C VAL A 66 4.620 -1.222 -2.453 1.00 0.00 C ATOM 725 O VAL A 66 4.089 -1.456 -3.546 1.00 0.00 O ATOM 726 CB VAL A 66 6.784 -2.543 -2.102 1.00 0.00 C ATOM 727 CG1 VAL A 66 7.562 -3.464 -1.125 1.00 0.00 C ATOM 728 CG2 VAL A 66 6.879 -3.082 -3.558 1.00 0.00 C ATOM 0 H VAL A 66 4.235 -3.804 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 66 5.288 -2.094 -0.588 1.00 0.00 H new ATOM 0 HB VAL A 66 7.249 -1.558 -2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.591 -3.571 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.556 -3.024 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.086 -4.444 -1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.927 -3.198 -3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.378 -4.048 -3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.399 -2.378 -4.238 1.00 0.00 H new ATOM 738 N LEU A 67 4.634 -0.001 -1.892 1.00 0.00 N ATOM 739 CA LEU A 67 4.076 1.193 -2.543 1.00 0.00 C ATOM 740 C LEU A 67 5.184 1.944 -3.280 1.00 0.00 C ATOM 741 O LEU A 67 6.356 1.867 -2.910 1.00 0.00 O ATOM 742 CB LEU A 67 3.390 2.142 -1.525 1.00 0.00 C ATOM 743 CG LEU A 67 2.112 1.591 -0.811 1.00 0.00 C ATOM 744 CD1 LEU A 67 2.459 0.628 0.344 1.00 0.00 C ATOM 745 CD2 LEU A 67 1.214 2.741 -0.325 1.00 0.00 C ATOM 0 H LEU A 67 5.034 0.184 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 67 3.316 0.860 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.120 2.408 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.121 3.062 -2.044 1.00 0.00 H new ATOM 0 HG LEU A 67 1.556 1.013 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.540 0.272 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.021 -0.221 -0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.062 1.152 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.332 2.331 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.767 3.362 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.905 3.346 -1.177 1.00 0.00 H new ATOM 757 N ILE A 68 4.779 2.651 -4.344 1.00 0.00 N ATOM 758 CA ILE A 68 5.649 3.451 -5.212 1.00 0.00 C ATOM 759 C ILE A 68 4.883 4.727 -5.605 1.00 0.00 C ATOM 760 O ILE A 68 3.721 4.650 -6.027 1.00 0.00 O ATOM 761 CB ILE A 68 6.103 2.702 -6.545 1.00 0.00 C ATOM 762 CG1 ILE A 68 6.826 1.334 -6.262 1.00 0.00 C ATOM 763 CG2 ILE A 68 7.011 3.616 -7.421 1.00 0.00 C ATOM 764 CD1 ILE A 68 5.906 0.117 -6.140 1.00 0.00 C ATOM 0 H ILE A 68 3.801 2.681 -4.633 1.00 0.00 H new ATOM 0 HA ILE A 68 6.558 3.661 -4.649 1.00 0.00 H new ATOM 0 HB ILE A 68 5.188 2.477 -7.093 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.541 1.148 -7.063 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.398 1.429 -5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.305 3.079 -8.323 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.462 4.516 -7.697 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.902 3.893 -6.857 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.504 -0.773 -5.945 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.206 0.271 -5.319 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.352 -0.015 -7.069 1.00 0.00 H new ATOM 776 N PHE A 69 5.543 5.876 -5.465 1.00 0.00 N ATOM 777 CA PHE A 69 4.990 7.184 -5.857 1.00 0.00 C ATOM 778 C PHE A 69 6.144 8.160 -6.116 1.00 0.00 C ATOM 779 O PHE A 69 7.190 8.085 -5.451 1.00 0.00 O ATOM 780 CB PHE A 69 4.019 7.749 -4.779 1.00 0.00 C ATOM 781 CG PHE A 69 3.207 8.981 -5.224 1.00 0.00 C ATOM 782 CD1 PHE A 69 1.998 8.830 -5.904 1.00 0.00 C ATOM 783 CD2 PHE A 69 3.639 10.282 -4.951 1.00 0.00 C ATOM 784 CE1 PHE A 69 1.256 9.937 -6.296 1.00 0.00 C ATOM 785 CE2 PHE A 69 2.899 11.380 -5.346 1.00 0.00 C ATOM 786 CZ PHE A 69 1.705 11.209 -6.014 1.00 0.00 C ATOM 0 H PHE A 69 6.483 5.932 -5.074 1.00 0.00 H new ATOM 0 HA PHE A 69 4.407 7.055 -6.769 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.326 6.961 -4.486 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.596 8.012 -3.892 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.634 7.838 -6.129 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.568 10.432 -4.422 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.324 9.800 -6.824 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.257 12.376 -5.131 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.124 12.068 -6.315 1.00 0.00 H new ATOM 796 N ALA A 70 5.930 9.059 -7.099 1.00 0.00 N ATOM 797 CA ALA A 70 6.926 10.043 -7.569 1.00 0.00 C ATOM 798 C ALA A 70 8.147 9.354 -8.223 1.00 0.00 C ATOM 799 O ALA A 70 9.183 9.988 -8.443 1.00 0.00 O ATOM 800 CB ALA A 70 7.331 11.017 -6.435 1.00 0.00 C ATOM 0 H ALA A 70 5.042 9.122 -7.598 1.00 0.00 H new ATOM 0 HA ALA A 70 6.458 10.643 -8.349 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.065 11.729 -6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.450 11.555 -6.085 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.763 10.453 -5.608 1.00 0.00 H new ATOM 806 N GLY A 71 7.988 8.058 -8.579 1.00 0.00 N ATOM 807 CA GLY A 71 9.046 7.266 -9.205 1.00 0.00 C ATOM 808 C GLY A 71 9.812 6.390 -8.213 1.00 0.00 C ATOM 809 O GLY A 71 10.470 5.434 -8.627 1.00 0.00 O ATOM 0 H GLY A 71 7.120 7.542 -8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.608 6.632 -9.976 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.746 7.937 -9.703 1.00 0.00 H new ATOM 813 N LYS A 72 9.726 6.699 -6.903 1.00 0.00 N ATOM 814 CA LYS A 72 10.506 5.998 -5.849 1.00 0.00 C ATOM 815 C LYS A 72 9.569 5.127 -4.988 1.00 0.00 C ATOM 816 O LYS A 72 8.371 5.400 -4.908 1.00 0.00 O ATOM 817 CB LYS A 72 11.291 7.042 -4.989 1.00 0.00 C ATOM 818 CG LYS A 72 10.414 8.033 -4.160 1.00 0.00 C ATOM 819 CD LYS A 72 10.118 7.547 -2.715 1.00 0.00 C ATOM 820 CE LYS A 72 11.375 7.523 -1.835 1.00 0.00 C ATOM 821 NZ LYS A 72 11.081 7.033 -0.472 1.00 0.00 N ATOM 0 H LYS A 72 9.120 7.436 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 72 11.236 5.333 -6.311 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.944 6.503 -4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.934 7.622 -5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.918 8.998 -4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.470 8.192 -4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.373 8.200 -2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.685 6.547 -2.753 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.129 6.885 -2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.798 8.526 -1.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.963 6.983 0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.419 7.684 -0.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.654 6.086 -0.528 1.00 0.00 H new ATOM 835 N ILE A 73 10.135 4.107 -4.326 1.00 0.00 N ATOM 836 CA ILE A 73 9.378 3.204 -3.440 1.00 0.00 C ATOM 837 C ILE A 73 9.179 3.864 -2.054 1.00 0.00 C ATOM 838 O ILE A 73 10.127 4.406 -1.464 1.00 0.00 O ATOM 839 CB ILE A 73 10.048 1.767 -3.296 1.00 0.00 C ATOM 840 CG1 ILE A 73 11.403 1.771 -2.498 1.00 0.00 C ATOM 841 CG2 ILE A 73 10.242 1.111 -4.686 1.00 0.00 C ATOM 842 CD1 ILE A 73 12.585 2.464 -3.156 1.00 0.00 C ATOM 0 H ILE A 73 11.128 3.883 -4.388 1.00 0.00 H new ATOM 0 HA ILE A 73 8.406 3.040 -3.904 1.00 0.00 H new ATOM 0 HB ILE A 73 9.351 1.174 -2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.227 2.244 -1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.683 0.736 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.701 0.130 -4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.274 1.000 -5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.888 1.740 -5.298 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.456 2.396 -2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 73 12.806 1.981 -4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.342 3.513 -3.328 1.00 0.00 H new ATOM 854 N LEU A 74 7.932 3.854 -1.573 1.00 0.00 N ATOM 855 CA LEU A 74 7.557 4.439 -0.280 1.00 0.00 C ATOM 856 C LEU A 74 7.896 3.454 0.849 1.00 0.00 C ATOM 857 O LEU A 74 7.447 2.306 0.827 1.00 0.00 O ATOM 858 CB LEU A 74 6.043 4.781 -0.261 1.00 0.00 C ATOM 859 CG LEU A 74 5.499 5.621 -1.460 1.00 0.00 C ATOM 860 CD1 LEU A 74 4.002 5.961 -1.257 1.00 0.00 C ATOM 861 CD2 LEU A 74 6.346 6.896 -1.705 1.00 0.00 C ATOM 0 H LEU A 74 7.147 3.436 -2.073 1.00 0.00 H new ATOM 0 HA LEU A 74 8.119 5.361 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.484 3.847 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.828 5.323 0.660 1.00 0.00 H new ATOM 0 HG LEU A 74 5.586 5.010 -2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.644 6.546 -2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.426 5.038 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.881 6.538 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.933 7.451 -2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.327 7.523 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.375 6.612 -1.927 1.00 0.00 H new ATOM 873 N LYS A 75 8.698 3.905 1.813 1.00 0.00 N ATOM 874 CA LYS A 75 9.130 3.093 2.965 1.00 0.00 C ATOM 875 C LYS A 75 8.477 3.609 4.256 1.00 0.00 C ATOM 876 O LYS A 75 7.560 4.436 4.216 1.00 0.00 O ATOM 877 CB LYS A 75 10.687 3.116 3.074 1.00 0.00 C ATOM 878 CG LYS A 75 11.435 2.457 1.890 1.00 0.00 C ATOM 879 CD LYS A 75 11.009 0.989 1.655 1.00 0.00 C ATOM 880 CE LYS A 75 11.954 0.230 0.711 1.00 0.00 C ATOM 881 NZ LYS A 75 13.352 0.203 1.204 1.00 0.00 N ATOM 0 H LYS A 75 9.073 4.853 1.822 1.00 0.00 H new ATOM 0 HA LYS A 75 8.810 2.061 2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.015 4.152 3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.979 2.612 3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.251 3.034 0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.508 2.494 2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.969 0.471 2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.001 0.972 1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.596 -0.792 0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.929 0.696 -0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.886 -0.530 0.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.795 1.130 1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.357 -0.010 2.222 1.00 0.00 H new ATOM 895 N ASP A 76 8.958 3.095 5.400 1.00 0.00 N ATOM 896 CA ASP A 76 8.501 3.509 6.744 1.00 0.00 C ATOM 897 C ASP A 76 8.890 4.973 7.034 1.00 0.00 C ATOM 898 O ASP A 76 8.217 5.661 7.809 1.00 0.00 O ATOM 899 CB ASP A 76 9.089 2.565 7.833 1.00 0.00 C ATOM 900 CG ASP A 76 10.622 2.665 7.995 1.00 0.00 C ATOM 901 OD1 ASP A 76 11.354 2.386 7.024 1.00 0.00 O ATOM 902 OD2 ASP A 76 11.101 3.034 9.087 1.00 0.00 O ATOM 0 H ASP A 76 9.680 2.375 5.422 1.00 0.00 H new ATOM 0 HA ASP A 76 7.414 3.436 6.769 1.00 0.00 H new ATOM 0 HB2 ASP A 76 8.618 2.793 8.789 1.00 0.00 H new ATOM 0 HB3 ASP A 76 8.827 1.536 7.586 1.00 0.00 H new ATOM 907 N GLN A 77 9.980 5.427 6.379 1.00 0.00 N ATOM 908 CA GLN A 77 10.468 6.817 6.465 1.00 0.00 C ATOM 909 C GLN A 77 9.533 7.789 5.714 1.00 0.00 C ATOM 910 O GLN A 77 9.585 9.002 5.938 1.00 0.00 O ATOM 911 CB GLN A 77 11.903 6.929 5.884 1.00 0.00 C ATOM 912 CG GLN A 77 12.003 6.668 4.361 1.00 0.00 C ATOM 913 CD GLN A 77 13.402 6.864 3.780 1.00 0.00 C ATOM 914 OE1 GLN A 77 14.195 7.663 4.274 1.00 0.00 O ATOM 915 NE2 GLN A 77 13.716 6.144 2.721 1.00 0.00 N ATOM 0 H GLN A 77 10.548 4.835 5.773 1.00 0.00 H new ATOM 0 HA GLN A 77 10.482 7.093 7.520 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.290 7.926 6.095 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.548 6.221 6.404 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.677 5.648 4.157 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.311 7.333 3.844 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.039 5.488 2.331 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.636 6.243 2.292 1.00 0.00 H new ATOM 924 N ASP A 78 8.696 7.243 4.815 1.00 0.00 N ATOM 925 CA ASP A 78 7.691 8.008 4.067 1.00 0.00 C ATOM 926 C ASP A 78 6.362 7.971 4.814 1.00 0.00 C ATOM 927 O ASP A 78 5.981 6.940 5.393 1.00 0.00 O ATOM 928 CB ASP A 78 7.463 7.428 2.635 1.00 0.00 C ATOM 929 CG ASP A 78 8.679 7.545 1.715 1.00 0.00 C ATOM 930 OD1 ASP A 78 9.666 6.808 1.921 1.00 0.00 O ATOM 931 OD2 ASP A 78 8.665 8.375 0.770 1.00 0.00 O ATOM 0 H ASP A 78 8.701 6.249 4.587 1.00 0.00 H new ATOM 0 HA ASP A 78 8.062 9.029 3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.184 6.378 2.720 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.621 7.945 2.175 1.00 0.00 H new ATOM 936 N THR A 79 5.668 9.106 4.817 1.00 0.00 N ATOM 937 CA THR A 79 4.226 9.145 5.012 1.00 0.00 C ATOM 938 C THR A 79 3.660 9.580 3.664 1.00 0.00 C ATOM 939 O THR A 79 4.259 10.433 2.982 1.00 0.00 O ATOM 940 CB THR A 79 3.769 10.121 6.162 1.00 0.00 C ATOM 941 OG1 THR A 79 3.771 11.479 5.723 1.00 0.00 O ATOM 942 CG2 THR A 79 4.666 10.006 7.410 1.00 0.00 C ATOM 0 H THR A 79 6.092 10.024 4.684 1.00 0.00 H new ATOM 0 HA THR A 79 3.860 8.170 5.332 1.00 0.00 H new ATOM 0 HB THR A 79 2.755 9.822 6.426 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.482 12.060 6.457 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.314 10.697 8.176 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.626 8.987 7.794 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.694 10.253 7.144 1.00 0.00 H new ATOM 950 N LEU A 80 2.546 8.968 3.264 1.00 0.00 N ATOM 951 CA LEU A 80 1.903 9.251 1.974 1.00 0.00 C ATOM 952 C LEU A 80 1.516 10.743 1.865 1.00 0.00 C ATOM 953 O LEU A 80 1.766 11.383 0.841 1.00 0.00 O ATOM 954 CB LEU A 80 0.687 8.307 1.701 1.00 0.00 C ATOM 955 CG LEU A 80 -0.506 8.283 2.721 1.00 0.00 C ATOM 956 CD1 LEU A 80 -1.762 7.682 2.071 1.00 0.00 C ATOM 957 CD2 LEU A 80 -0.174 7.506 4.011 1.00 0.00 C ATOM 0 H LEU A 80 2.062 8.263 3.821 1.00 0.00 H new ATOM 0 HA LEU A 80 2.633 9.042 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.279 8.570 0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.072 7.290 1.622 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.692 9.320 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.578 7.674 2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.048 8.283 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.553 6.662 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.036 7.523 4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.071 6.474 3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.678 7.971 4.507 1.00 0.00 H new ATOM 969 N SER A 81 0.985 11.288 2.971 1.00 0.00 N ATOM 970 CA SER A 81 0.565 12.696 3.081 1.00 0.00 C ATOM 971 C SER A 81 1.738 13.675 2.829 1.00 0.00 C ATOM 972 O SER A 81 1.568 14.677 2.122 1.00 0.00 O ATOM 973 CB SER A 81 -0.045 12.920 4.478 1.00 0.00 C ATOM 974 OG SER A 81 -0.504 14.250 4.654 1.00 0.00 O ATOM 0 H SER A 81 0.833 10.756 3.828 1.00 0.00 H new ATOM 0 HA SER A 81 -0.179 12.901 2.311 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.874 12.228 4.626 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.701 12.691 5.239 1.00 0.00 H new ATOM 0 HG SER A 81 -0.702 14.646 3.780 1.00 0.00 H new ATOM 980 N GLN A 82 2.922 13.359 3.401 1.00 0.00 N ATOM 981 CA GLN A 82 4.171 14.147 3.204 1.00 0.00 C ATOM 982 C GLN A 82 4.591 14.087 1.727 1.00 0.00 C ATOM 983 O GLN A 82 4.991 15.100 1.139 1.00 0.00 O ATOM 984 CB GLN A 82 5.293 13.580 4.142 1.00 0.00 C ATOM 985 CG GLN A 82 6.619 14.387 4.282 1.00 0.00 C ATOM 986 CD GLN A 82 7.617 14.206 3.124 1.00 0.00 C ATOM 987 OE1 GLN A 82 7.633 14.974 2.166 1.00 0.00 O ATOM 988 NE2 GLN A 82 8.452 13.182 3.210 1.00 0.00 N ATOM 0 H GLN A 82 3.044 12.552 4.013 1.00 0.00 H new ATOM 0 HA GLN A 82 4.002 15.192 3.464 1.00 0.00 H new ATOM 0 HB2 GLN A 82 4.867 13.466 5.139 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.548 12.581 3.789 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.375 15.446 4.369 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.108 14.095 5.212 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.415 12.561 4.018 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.132 13.015 2.468 1.00 0.00 H new ATOM 997 N HIS A 83 4.430 12.895 1.122 1.00 0.00 N ATOM 998 CA HIS A 83 4.934 12.605 -0.234 1.00 0.00 C ATOM 999 C HIS A 83 3.980 13.141 -1.342 1.00 0.00 C ATOM 1000 O HIS A 83 4.169 12.848 -2.527 1.00 0.00 O ATOM 1001 CB HIS A 83 5.185 11.072 -0.381 1.00 0.00 C ATOM 1002 CG HIS A 83 6.335 10.741 -1.301 1.00 0.00 C ATOM 1003 ND1 HIS A 83 7.636 10.695 -0.864 1.00 0.00 N ATOM 1004 CD2 HIS A 83 6.388 10.500 -2.631 1.00 0.00 C ATOM 1005 CE1 HIS A 83 8.429 10.451 -1.875 1.00 0.00 C ATOM 1006 NE2 HIS A 83 7.704 10.328 -2.964 1.00 0.00 N ATOM 0 H HIS A 83 3.949 12.108 1.558 1.00 0.00 H new ATOM 0 HA HIS A 83 5.879 13.131 -0.369 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.382 10.647 0.603 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.279 10.597 -0.758 1.00 0.00 H new ATOM 0 HD1 HIS A 83 7.938 10.830 0.101 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.546 10.452 -3.306 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.504 10.365 -1.823 1.00 0.00 H new ATOM 1015 N GLY A 84 2.970 13.939 -0.932 1.00 0.00 N ATOM 1016 CA GLY A 84 2.051 14.610 -1.860 1.00 0.00 C ATOM 1017 C GLY A 84 0.854 13.760 -2.244 1.00 0.00 C ATOM 1018 O GLY A 84 0.285 13.934 -3.329 1.00 0.00 O ATOM 0 H GLY A 84 2.774 14.132 0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 84 1.699 15.536 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.596 14.886 -2.763 1.00 0.00 H new ATOM 1022 N ILE A 85 0.470 12.835 -1.352 1.00 0.00 N ATOM 1023 CA ILE A 85 -0.672 11.928 -1.564 1.00 0.00 C ATOM 1024 C ILE A 85 -1.776 12.261 -0.548 1.00 0.00 C ATOM 1025 O ILE A 85 -1.645 11.979 0.652 1.00 0.00 O ATOM 1026 CB ILE A 85 -0.260 10.418 -1.415 1.00 0.00 C ATOM 1027 CG1 ILE A 85 1.040 10.104 -2.224 1.00 0.00 C ATOM 1028 CG2 ILE A 85 -1.422 9.485 -1.840 1.00 0.00 C ATOM 1029 CD1 ILE A 85 1.642 8.744 -1.944 1.00 0.00 C ATOM 0 H ILE A 85 0.943 12.693 -0.460 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.033 12.073 -2.582 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.046 10.231 -0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.816 10.176 -3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.784 10.869 -2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.113 8.446 -1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.291 9.675 -1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.680 9.677 -2.881 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.540 8.612 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.902 8.671 -0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.919 7.968 -2.194 1.00 0.00 H new ATOM 1041 N HIS A 86 -2.839 12.903 -1.042 1.00 0.00 N ATOM 1042 CA HIS A 86 -4.038 13.259 -0.259 1.00 0.00 C ATOM 1043 C HIS A 86 -5.287 12.701 -0.974 1.00 0.00 C ATOM 1044 O HIS A 86 -5.162 11.777 -1.793 1.00 0.00 O ATOM 1045 CB HIS A 86 -4.093 14.809 -0.065 1.00 0.00 C ATOM 1046 CG HIS A 86 -2.958 15.347 0.786 1.00 0.00 C ATOM 1047 ND1 HIS A 86 -2.123 16.372 0.390 1.00 0.00 N ATOM 1048 CD2 HIS A 86 -2.507 14.963 2.011 1.00 0.00 C ATOM 1049 CE1 HIS A 86 -1.217 16.587 1.322 1.00 0.00 C ATOM 1050 NE2 HIS A 86 -1.429 15.746 2.313 1.00 0.00 N ATOM 0 H HIS A 86 -2.896 13.198 -2.017 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.002 12.814 0.736 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.066 15.292 -1.042 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.043 15.077 0.397 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -2.196 16.884 -0.489 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.924 14.183 2.630 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -0.433 17.328 1.280 1.00 0.00 H new ATOM 1059 N ASP A 87 -6.484 13.227 -0.639 1.00 0.00 N ATOM 1060 CA ASP A 87 -7.747 12.806 -1.277 1.00 0.00 C ATOM 1061 C ASP A 87 -7.730 13.121 -2.791 1.00 0.00 C ATOM 1062 O ASP A 87 -7.446 14.255 -3.195 1.00 0.00 O ATOM 1063 CB ASP A 87 -8.977 13.450 -0.568 1.00 0.00 C ATOM 1064 CG ASP A 87 -9.032 14.981 -0.654 1.00 0.00 C ATOM 1065 OD1 ASP A 87 -8.190 15.651 -0.023 1.00 0.00 O ATOM 1066 OD2 ASP A 87 -9.918 15.524 -1.353 1.00 0.00 O ATOM 0 H ASP A 87 -6.601 13.948 0.073 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.840 11.726 -1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.888 13.041 -1.006 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.969 13.158 0.482 1.00 0.00 H new ATOM 1071 N GLY A 88 -7.972 12.083 -3.613 1.00 0.00 N ATOM 1072 CA GLY A 88 -7.942 12.195 -5.077 1.00 0.00 C ATOM 1073 C GLY A 88 -6.669 11.633 -5.703 1.00 0.00 C ATOM 1074 O GLY A 88 -6.685 11.192 -6.858 1.00 0.00 O ATOM 0 H GLY A 88 -8.193 11.145 -3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.803 11.671 -5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.042 13.244 -5.356 1.00 0.00 H new ATOM 1078 N LEU A 89 -5.565 11.640 -4.934 1.00 0.00 N ATOM 1079 CA LEU A 89 -4.246 11.164 -5.406 1.00 0.00 C ATOM 1080 C LEU A 89 -4.209 9.625 -5.404 1.00 0.00 C ATOM 1081 O LEU A 89 -4.877 8.972 -4.583 1.00 0.00 O ATOM 1082 CB LEU A 89 -3.088 11.748 -4.536 1.00 0.00 C ATOM 1083 CG LEU A 89 -2.727 13.262 -4.748 1.00 0.00 C ATOM 1084 CD1 LEU A 89 -2.269 13.538 -6.197 1.00 0.00 C ATOM 1085 CD2 LEU A 89 -3.886 14.195 -4.332 1.00 0.00 C ATOM 0 H LEU A 89 -5.559 11.974 -3.970 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.100 11.518 -6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.348 11.606 -3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.192 11.157 -4.725 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.886 13.485 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.027 14.595 -6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.386 12.939 -6.420 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.070 13.275 -6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.594 15.233 -4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.768 13.968 -4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.114 14.044 -3.277 1.00 0.00 H new ATOM 1097 N THR A 90 -3.419 9.067 -6.337 1.00 0.00 N ATOM 1098 CA THR A 90 -3.315 7.618 -6.567 1.00 0.00 C ATOM 1099 C THR A 90 -1.865 7.135 -6.375 1.00 0.00 C ATOM 1100 O THR A 90 -0.935 7.780 -6.845 1.00 0.00 O ATOM 1101 CB THR A 90 -3.814 7.262 -8.007 1.00 0.00 C ATOM 1102 OG1 THR A 90 -5.137 7.795 -8.199 1.00 0.00 O ATOM 1103 CG2 THR A 90 -3.851 5.740 -8.256 1.00 0.00 C ATOM 0 H THR A 90 -2.828 9.617 -6.960 1.00 0.00 H new ATOM 0 HA THR A 90 -3.945 7.111 -5.837 1.00 0.00 H new ATOM 0 HB THR A 90 -3.109 7.701 -8.713 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.451 7.575 -9.101 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.204 5.545 -9.269 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.850 5.327 -8.135 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.526 5.271 -7.540 1.00 0.00 H new ATOM 1111 N VAL A 91 -1.694 5.991 -5.681 1.00 0.00 N ATOM 1112 CA VAL A 91 -0.375 5.352 -5.448 1.00 0.00 C ATOM 1113 C VAL A 91 -0.249 4.087 -6.317 1.00 0.00 C ATOM 1114 O VAL A 91 -1.263 3.462 -6.665 1.00 0.00 O ATOM 1115 CB VAL A 91 -0.166 4.949 -3.929 1.00 0.00 C ATOM 1116 CG1 VAL A 91 1.327 4.667 -3.615 1.00 0.00 C ATOM 1117 CG2 VAL A 91 -0.747 6.014 -2.978 1.00 0.00 C ATOM 0 H VAL A 91 -2.470 5.478 -5.262 1.00 0.00 H new ATOM 0 HA VAL A 91 0.389 6.082 -5.716 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.716 4.023 -3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.433 4.394 -2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.682 3.848 -4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.917 5.561 -3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.586 5.706 -1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.250 6.968 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.816 6.122 -3.162 1.00 0.00 H new ATOM 1127 N HIS A 92 0.995 3.712 -6.664 1.00 0.00 N ATOM 1128 CA HIS A 92 1.283 2.435 -7.344 1.00 0.00 C ATOM 1129 C HIS A 92 1.672 1.401 -6.282 1.00 0.00 C ATOM 1130 O HIS A 92 2.757 1.474 -5.719 1.00 0.00 O ATOM 1131 CB HIS A 92 2.450 2.580 -8.367 1.00 0.00 C ATOM 1132 CG HIS A 92 2.256 3.646 -9.410 1.00 0.00 C ATOM 1133 ND1 HIS A 92 2.002 3.372 -10.737 1.00 0.00 N ATOM 1134 CD2 HIS A 92 2.296 4.993 -9.313 1.00 0.00 C ATOM 1135 CE1 HIS A 92 1.904 4.504 -11.404 1.00 0.00 C ATOM 1136 NE2 HIS A 92 2.075 5.502 -10.564 1.00 0.00 N ATOM 0 H HIS A 92 1.823 4.280 -6.483 1.00 0.00 H new ATOM 0 HA HIS A 92 0.394 2.122 -7.892 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.368 2.792 -7.819 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.593 1.623 -8.870 1.00 0.00 H new ATOM 0 HD2 HIS A 92 2.470 5.564 -8.413 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.715 4.597 -12.463 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.047 6.493 -10.806 1.00 0.00 H new ATOM 1145 N LEU A 93 0.784 0.453 -6.001 1.00 0.00 N ATOM 1146 CA LEU A 93 1.086 -0.685 -5.132 1.00 0.00 C ATOM 1147 C LEU A 93 1.333 -1.917 -6.001 1.00 0.00 C ATOM 1148 O LEU A 93 0.471 -2.303 -6.796 1.00 0.00 O ATOM 1149 CB LEU A 93 -0.081 -0.960 -4.173 1.00 0.00 C ATOM 1150 CG LEU A 93 0.099 -2.180 -3.210 1.00 0.00 C ATOM 1151 CD1 LEU A 93 1.064 -1.868 -2.054 1.00 0.00 C ATOM 1152 CD2 LEU A 93 -1.251 -2.681 -2.690 1.00 0.00 C ATOM 0 H LEU A 93 -0.167 0.450 -6.369 1.00 0.00 H new ATOM 0 HA LEU A 93 1.972 -0.456 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.249 -0.068 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.983 -1.119 -4.765 1.00 0.00 H new ATOM 0 HG LEU A 93 0.551 -2.982 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.158 -2.744 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.043 -1.607 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.677 -1.031 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.092 -3.529 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.751 -1.880 -2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.872 -2.991 -3.530 1.00 0.00 H new ATOM 1164 N VAL A 94 2.506 -2.522 -5.856 1.00 0.00 N ATOM 1165 CA VAL A 94 2.866 -3.753 -6.570 1.00 0.00 C ATOM 1166 C VAL A 94 2.982 -4.890 -5.547 1.00 0.00 C ATOM 1167 O VAL A 94 3.873 -4.878 -4.688 1.00 0.00 O ATOM 1168 CB VAL A 94 4.201 -3.583 -7.385 1.00 0.00 C ATOM 1169 CG1 VAL A 94 4.548 -4.864 -8.183 1.00 0.00 C ATOM 1170 CG2 VAL A 94 4.118 -2.345 -8.319 1.00 0.00 C ATOM 0 H VAL A 94 3.241 -2.176 -5.239 1.00 0.00 H new ATOM 0 HA VAL A 94 2.089 -3.988 -7.297 1.00 0.00 H new ATOM 0 HB VAL A 94 5.009 -3.418 -6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.476 -4.710 -8.734 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.670 -5.700 -7.494 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.743 -5.085 -8.884 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.051 -2.245 -8.874 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.292 -2.472 -9.018 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.953 -1.449 -7.721 1.00 0.00 H new ATOM 1180 N ILE A 95 2.032 -5.838 -5.621 1.00 0.00 N ATOM 1181 CA ILE A 95 1.959 -6.978 -4.695 1.00 0.00 C ATOM 1182 C ILE A 95 2.623 -8.201 -5.351 1.00 0.00 C ATOM 1183 O ILE A 95 2.524 -8.388 -6.569 1.00 0.00 O ATOM 1184 CB ILE A 95 0.471 -7.330 -4.315 1.00 0.00 C ATOM 1185 CG1 ILE A 95 -0.370 -6.040 -4.023 1.00 0.00 C ATOM 1186 CG2 ILE A 95 0.439 -8.289 -3.098 1.00 0.00 C ATOM 1187 CD1 ILE A 95 -1.825 -6.294 -3.660 1.00 0.00 C ATOM 0 H ILE A 95 1.294 -5.834 -6.325 1.00 0.00 H new ATOM 0 HA ILE A 95 2.480 -6.704 -3.778 1.00 0.00 H new ATOM 0 HB ILE A 95 0.018 -7.831 -5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.103 -5.492 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.337 -5.395 -4.901 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.595 -8.524 -2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.970 -9.208 -3.345 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.920 -7.810 -2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.325 -5.343 -3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.320 -6.811 -4.482 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.874 -6.910 -2.762 1.00 0.00 H new ATOM 1199 N LYS A 96 3.278 -9.034 -4.529 1.00 0.00 N ATOM 1200 CA LYS A 96 4.009 -10.236 -4.975 1.00 0.00 C ATOM 1201 C LYS A 96 3.260 -11.521 -4.515 1.00 0.00 C ATOM 1202 O LYS A 96 3.853 -12.599 -4.373 1.00 0.00 O ATOM 1203 CB LYS A 96 5.468 -10.155 -4.423 1.00 0.00 C ATOM 1204 CG LYS A 96 6.472 -11.179 -5.014 1.00 0.00 C ATOM 1205 CD LYS A 96 7.937 -10.930 -4.568 1.00 0.00 C ATOM 1206 CE LYS A 96 8.122 -10.950 -3.041 1.00 0.00 C ATOM 1207 NZ LYS A 96 7.787 -12.271 -2.443 1.00 0.00 N ATOM 0 H LYS A 96 3.317 -8.892 -3.520 1.00 0.00 H new ATOM 0 HA LYS A 96 4.057 -10.283 -6.063 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.851 -9.151 -4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.435 -10.290 -3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.174 -12.184 -4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.420 -11.142 -6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.579 -11.689 -5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.268 -9.966 -4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.155 -10.697 -2.800 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.493 -10.182 -2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.025 -12.153 -1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.474 -12.921 -3.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.628 -12.663 -1.974 1.00 0.00 H new