USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 847 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 Single : A 1 GLY N :NH3+ -149:sc= 0.92 (180deg=-0.842!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -154:sc= 1.07 (180deg=-0.483!) USER MOD Single : A 12 GLN : amide:sc=-0.00724 X(o=-0.0072,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 155:sc= 1.27 (180deg=0.876) USER MOD Single : A 14 CYS SG : rot 126:sc= 0.25 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 17 CYS SG : rot 180:sc= -1.35! USER MOD Single : A 18 HIS : no HE2:sc= 0.883 K(o=0.88,f=-2.7!) USER MOD Single : A 19 THR OG1 : rot 167:sc= 0.486 USER MOD Single : A 22 LYS NZ :NH3+ 172:sc=-0.00636 (180deg=-0.0619) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.18) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.428 K(o=0.43,f=-4.9!) USER MOD Single : A 33 HIS : no HE2:sc= -1.25 K(o=-1.3,f=-2.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 80:sc= 0.361 USER MOD Single : A 42 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.6) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0236 USER MOD Single : A 52 ASN : amide:sc= -0.831 K(o=-0.83,f=-5!) USER MOD Single : A 53 LYS NZ :NH3+ -165:sc=-0.000573 (180deg=-0.125) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= -0.313 (180deg=-0.334) USER MOD Single : A 58 THR OG1 : rot 31:sc= 0.0187 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -157:sc= 1.22 USER MOD Single : A 65 MET CE :methyl -179:sc= 0 (180deg=-0.000851) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.48 X(o=-1.5,f=-1.9) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -156:sc= -0.436! (180deg=-0.588!) USER MOD Single : A 74 TYR OH : rot -156:sc= 0.166 USER MOD Single : A 78 THR OG1 : rot -146:sc= 1.53 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 167:sc= -0.439 (180deg=-0.967) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -76:sc= 1.31 USER MOD Single : A 103 ASN : amide:sc=0.000502 X(o=0.0005,f=-0.069) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.407 -4.316 -15.498 1.00 10.00 N ATOM 2 CA GLY A 1 -4.028 -4.181 -15.090 1.00 10.00 C ATOM 3 C GLY A 1 -3.438 -5.559 -15.316 1.00 10.00 C ATOM 4 O GLY A 1 -4.113 -6.553 -15.058 1.00 10.00 O ATOM 0 H1 GLY A 1 -5.747 -3.410 -15.878 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.482 -5.049 -16.232 1.00 10.00 H new ATOM 0 H3 GLY A 1 -5.987 -4.587 -14.678 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.510 -3.424 -15.680 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -3.949 -3.880 -14.045 1.00 10.00 H new ATOM 10 N ASP A 2 -2.261 -5.622 -15.907 1.00 10.00 N ATOM 11 CA ASP A 2 -1.530 -6.866 -16.056 1.00 10.00 C ATOM 12 C ASP A 2 -1.055 -7.368 -14.690 1.00 10.00 C ATOM 13 O ASP A 2 -0.330 -6.669 -13.983 1.00 10.00 O ATOM 14 CB ASP A 2 -0.305 -6.676 -16.943 1.00 10.00 C ATOM 15 CG ASP A 2 0.413 -7.999 -17.160 1.00 10.00 C ATOM 16 OD1 ASP A 2 -0.178 -9.055 -16.836 1.00 10.00 O ATOM 17 OD2 ASP A 2 1.600 -7.936 -17.539 1.00 10.00 O ATOM 0 H ASP A 2 -1.783 -4.810 -16.298 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.205 -7.590 -16.513 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.607 -6.259 -17.904 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.375 -5.959 -16.483 1.00 10.00 H new ATOM 22 N VAL A 3 -1.408 -8.603 -14.343 1.00 10.00 N ATOM 23 CA VAL A 3 -0.865 -9.289 -13.183 1.00 10.00 C ATOM 24 C VAL A 3 0.644 -9.496 -13.359 1.00 10.00 C ATOM 25 O VAL A 3 1.399 -9.334 -12.400 1.00 10.00 O ATOM 26 CB VAL A 3 -1.618 -10.620 -12.986 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.098 -11.441 -11.797 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.118 -10.370 -12.767 1.00 10.00 C ATOM 0 H VAL A 3 -2.086 -9.157 -14.867 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.005 -8.687 -12.285 1.00 10.00 H new ATOM 0 HB VAL A 3 -1.445 -11.189 -13.900 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.671 -12.365 -11.714 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.046 -11.679 -11.952 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.208 -10.863 -10.880 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.630 -11.323 -12.630 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.258 -9.752 -11.880 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.532 -9.857 -13.635 1.00 10.00 H new ATOM 38 N GLU A 4 1.102 -9.861 -14.562 1.00 10.00 N ATOM 39 CA GLU A 4 2.510 -10.160 -14.779 1.00 10.00 C ATOM 40 C GLU A 4 3.354 -8.911 -14.565 1.00 10.00 C ATOM 41 O GLU A 4 4.292 -8.924 -13.769 1.00 10.00 O ATOM 42 CB GLU A 4 2.760 -10.736 -16.178 1.00 10.00 C ATOM 43 CG GLU A 4 2.920 -12.262 -16.153 1.00 10.00 C ATOM 44 CD GLU A 4 4.259 -12.655 -15.539 1.00 10.00 C ATOM 45 OE1 GLU A 4 5.284 -12.408 -16.213 1.00 10.00 O ATOM 46 OE2 GLU A 4 4.278 -13.093 -14.368 1.00 10.00 O ATOM 0 H GLU A 4 0.517 -9.954 -15.392 1.00 10.00 H new ATOM 0 HA GLU A 4 2.802 -10.918 -14.053 1.00 10.00 H new ATOM 0 HB2 GLU A 4 1.931 -10.469 -16.833 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.658 -10.285 -16.601 1.00 10.00 H new ATOM 0 HG2 GLU A 4 2.107 -12.708 -15.580 1.00 10.00 H new ATOM 0 HG3 GLU A 4 2.850 -12.656 -17.167 1.00 10.00 H new ATOM 53 N LYS A 5 3.063 -7.830 -15.285 1.00 10.00 N ATOM 54 CA LYS A 5 3.742 -6.578 -15.052 1.00 10.00 C ATOM 55 C LYS A 5 3.519 -6.159 -13.609 1.00 10.00 C ATOM 56 O LYS A 5 4.494 -5.864 -12.933 1.00 10.00 O ATOM 57 CB LYS A 5 3.356 -5.498 -16.060 1.00 10.00 C ATOM 58 CG LYS A 5 4.085 -5.688 -17.401 1.00 10.00 C ATOM 59 CD LYS A 5 4.704 -4.375 -17.919 1.00 10.00 C ATOM 60 CE LYS A 5 6.218 -4.527 -18.139 1.00 10.00 C ATOM 61 NZ LYS A 5 6.888 -3.218 -18.276 1.00 10.00 N ATOM 0 H LYS A 5 2.365 -7.805 -16.028 1.00 10.00 H new ATOM 0 HA LYS A 5 4.811 -6.720 -15.210 1.00 10.00 H new ATOM 0 HB2 LYS A 5 2.279 -5.521 -16.224 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.595 -4.516 -15.651 1.00 10.00 H new ATOM 0 HG2 LYS A 5 4.869 -6.436 -17.283 1.00 10.00 H new ATOM 0 HG3 LYS A 5 3.385 -6.074 -18.142 1.00 10.00 H new ATOM 0 HD2 LYS A 5 4.224 -4.087 -18.855 1.00 10.00 H new ATOM 0 HD3 LYS A 5 4.516 -3.574 -17.205 1.00 10.00 H new ATOM 0 HE2 LYS A 5 6.654 -5.072 -17.302 1.00 10.00 H new ATOM 0 HE3 LYS A 5 6.397 -5.122 -19.035 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 7.907 -3.363 -18.423 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 6.490 -2.708 -19.090 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 6.739 -2.660 -17.411 1.00 10.00 H new ATOM 75 N GLY A 6 2.285 -6.201 -13.108 1.00 10.00 N ATOM 76 CA GLY A 6 1.976 -5.873 -11.726 1.00 10.00 C ATOM 77 C GLY A 6 2.922 -6.528 -10.717 1.00 10.00 C ATOM 78 O GLY A 6 3.403 -5.873 -9.789 1.00 10.00 O ATOM 0 H GLY A 6 1.468 -6.466 -13.658 1.00 10.00 H new ATOM 0 HA2 GLY A 6 2.016 -4.791 -11.600 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.954 -6.182 -11.507 1.00 10.00 H new ATOM 82 N LYS A 7 3.197 -7.823 -10.907 1.00 10.00 N ATOM 83 CA LYS A 7 4.077 -8.600 -10.061 1.00 10.00 C ATOM 84 C LYS A 7 5.438 -7.922 -10.069 1.00 10.00 C ATOM 85 O LYS A 7 5.991 -7.575 -9.026 1.00 10.00 O ATOM 86 CB LYS A 7 4.129 -10.049 -10.588 1.00 10.00 C ATOM 87 CG LYS A 7 5.078 -10.938 -9.771 1.00 10.00 C ATOM 88 CD LYS A 7 5.222 -12.335 -10.401 1.00 10.00 C ATOM 89 CE LYS A 7 4.569 -13.419 -9.531 1.00 10.00 C ATOM 90 NZ LYS A 7 4.799 -14.774 -10.078 1.00 10.00 N ATOM 0 H LYS A 7 2.798 -8.363 -11.675 1.00 10.00 H new ATOM 0 HA LYS A 7 3.723 -8.648 -9.031 1.00 10.00 H new ATOM 0 HB2 LYS A 7 3.127 -10.477 -10.566 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.450 -10.042 -11.630 1.00 10.00 H new ATOM 0 HG2 LYS A 7 6.057 -10.464 -9.706 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.702 -11.034 -8.752 1.00 10.00 H new ATOM 0 HD2 LYS A 7 4.764 -12.337 -11.390 1.00 10.00 H new ATOM 0 HD3 LYS A 7 6.278 -12.566 -10.538 1.00 10.00 H new ATOM 0 HE2 LYS A 7 4.969 -13.363 -8.519 1.00 10.00 H new ATOM 0 HE3 LYS A 7 3.497 -13.232 -9.461 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 4.343 -15.478 -9.463 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 4.395 -14.836 -11.034 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 5.821 -14.962 -10.121 1.00 10.00 H new ATOM 104 N LYS A 8 5.982 -7.729 -11.268 1.00 10.00 N ATOM 105 CA LYS A 8 7.312 -7.183 -11.410 1.00 10.00 C ATOM 106 C LYS A 8 7.354 -5.754 -10.862 1.00 10.00 C ATOM 107 O LYS A 8 8.282 -5.407 -10.143 1.00 10.00 O ATOM 108 CB LYS A 8 7.816 -7.290 -12.858 1.00 10.00 C ATOM 109 CG LYS A 8 8.369 -8.680 -13.230 1.00 10.00 C ATOM 110 CD LYS A 8 7.398 -9.824 -12.900 1.00 10.00 C ATOM 111 CE LYS A 8 7.499 -11.049 -13.817 1.00 10.00 C ATOM 112 NZ LYS A 8 6.900 -10.778 -15.139 1.00 10.00 N ATOM 0 H LYS A 8 5.516 -7.945 -12.149 1.00 10.00 H new ATOM 0 HA LYS A 8 8.004 -7.778 -10.815 1.00 10.00 H new ATOM 0 HB2 LYS A 8 6.999 -7.043 -13.535 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.597 -6.546 -13.016 1.00 10.00 H new ATOM 0 HG2 LYS A 8 8.596 -8.701 -14.296 1.00 10.00 H new ATOM 0 HG3 LYS A 8 9.308 -8.844 -12.701 1.00 10.00 H new ATOM 0 HD2 LYS A 8 7.573 -10.143 -11.873 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.379 -9.439 -12.945 1.00 10.00 H new ATOM 0 HE2 LYS A 8 8.545 -11.329 -13.940 1.00 10.00 H new ATOM 0 HE3 LYS A 8 6.994 -11.896 -13.353 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 6.580 -11.671 -15.565 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 6.089 -10.137 -15.028 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 7.609 -10.335 -15.757 1.00 10.00 H new ATOM 126 N ILE A 9 6.348 -4.929 -11.153 1.00 10.00 N ATOM 127 CA ILE A 9 6.236 -3.574 -10.656 1.00 10.00 C ATOM 128 C ILE A 9 6.339 -3.595 -9.136 1.00 10.00 C ATOM 129 O ILE A 9 7.228 -2.954 -8.584 1.00 10.00 O ATOM 130 CB ILE A 9 4.932 -2.932 -11.171 1.00 10.00 C ATOM 131 CG1 ILE A 9 5.004 -2.677 -12.688 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.633 -1.602 -10.477 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.656 -2.218 -13.255 1.00 10.00 C ATOM 0 H ILE A 9 5.572 -5.200 -11.758 1.00 10.00 H new ATOM 0 HA ILE A 9 7.051 -2.953 -11.029 1.00 10.00 H new ATOM 0 HB ILE A 9 4.135 -3.640 -10.945 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.761 -1.920 -12.893 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.319 -3.589 -13.195 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.706 -1.186 -10.871 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.530 -1.766 -9.404 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.450 -0.904 -10.660 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.751 -2.049 -14.328 1.00 10.00 H new ATOM 0 HD12 ILE A 9 2.904 -2.986 -13.074 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.353 -1.291 -12.767 1.00 10.00 H new ATOM 145 N PHE A 10 5.476 -4.356 -8.461 1.00 10.00 N ATOM 146 CA PHE A 10 5.539 -4.508 -7.013 1.00 10.00 C ATOM 147 C PHE A 10 6.977 -4.799 -6.549 1.00 10.00 C ATOM 148 O PHE A 10 7.502 -4.138 -5.647 1.00 10.00 O ATOM 149 CB PHE A 10 4.554 -5.603 -6.593 1.00 10.00 C ATOM 150 CG PHE A 10 4.571 -5.885 -5.110 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.915 -5.011 -4.225 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.327 -6.961 -4.608 1.00 10.00 C ATOM 153 CE1 PHE A 10 3.988 -5.229 -2.842 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.402 -7.177 -3.223 1.00 10.00 C ATOM 155 CZ PHE A 10 4.724 -6.316 -2.345 1.00 10.00 C ATOM 0 H PHE A 10 4.720 -4.880 -8.902 1.00 10.00 H new ATOM 0 HA PHE A 10 5.250 -3.576 -6.526 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.547 -5.309 -6.888 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.789 -6.520 -7.133 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.355 -4.172 -4.611 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.848 -7.619 -5.287 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.479 -4.563 -2.161 1.00 10.00 H new ATOM 0 HE2 PHE A 10 5.979 -8.003 -2.834 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.769 -6.491 -1.280 1.00 10.00 H new ATOM 165 N VAL A 11 7.636 -5.753 -7.214 1.00 10.00 N ATOM 166 CA VAL A 11 9.011 -6.155 -6.918 1.00 10.00 C ATOM 167 C VAL A 11 10.042 -5.072 -7.273 1.00 10.00 C ATOM 168 O VAL A 11 11.144 -5.051 -6.731 1.00 10.00 O ATOM 169 CB VAL A 11 9.319 -7.482 -7.630 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.771 -7.939 -7.432 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.393 -8.571 -7.090 1.00 10.00 C ATOM 0 H VAL A 11 7.220 -6.275 -7.985 1.00 10.00 H new ATOM 0 HA VAL A 11 9.094 -6.295 -5.840 1.00 10.00 H new ATOM 0 HB VAL A 11 9.162 -7.316 -8.696 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.931 -8.881 -7.957 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.448 -7.183 -7.830 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.967 -8.078 -6.369 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.608 -9.514 -7.593 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.553 -8.686 -6.018 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.356 -8.291 -7.274 1.00 10.00 H new ATOM 181 N GLN A 12 9.723 -4.187 -8.212 1.00 10.00 N ATOM 182 CA GLN A 12 10.621 -3.150 -8.695 1.00 10.00 C ATOM 183 C GLN A 12 10.331 -1.803 -8.045 1.00 10.00 C ATOM 184 O GLN A 12 10.999 -0.821 -8.375 1.00 10.00 O ATOM 185 CB GLN A 12 10.462 -3.048 -10.211 1.00 10.00 C ATOM 186 CG GLN A 12 10.977 -4.327 -10.890 1.00 10.00 C ATOM 187 CD GLN A 12 12.493 -4.324 -11.035 1.00 10.00 C ATOM 188 OE1 GLN A 12 13.022 -3.812 -12.015 1.00 10.00 O ATOM 189 NE2 GLN A 12 13.204 -4.887 -10.062 1.00 10.00 N ATOM 0 H GLN A 12 8.810 -4.173 -8.668 1.00 10.00 H new ATOM 0 HA GLN A 12 11.645 -3.417 -8.433 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.413 -2.891 -10.464 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.012 -2.184 -10.584 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.670 -5.196 -10.308 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.519 -4.425 -11.874 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.731 -5.304 -9.260 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.222 -4.902 -10.117 1.00 10.00 H new ATOM 198 N LYS A 13 9.289 -1.721 -7.219 1.00 10.00 N ATOM 199 CA LYS A 13 8.876 -0.510 -6.536 1.00 10.00 C ATOM 200 C LYS A 13 9.025 -0.694 -5.025 1.00 10.00 C ATOM 201 O LYS A 13 9.633 0.144 -4.363 1.00 10.00 O ATOM 202 CB LYS A 13 7.405 -0.219 -6.847 1.00 10.00 C ATOM 203 CG LYS A 13 7.052 0.549 -8.129 1.00 10.00 C ATOM 204 CD LYS A 13 7.799 0.197 -9.421 1.00 10.00 C ATOM 205 CE LYS A 13 8.946 1.177 -9.701 1.00 10.00 C ATOM 206 NZ LYS A 13 10.028 0.545 -10.475 1.00 10.00 N ATOM 0 H LYS A 13 8.696 -2.523 -7.005 1.00 10.00 H new ATOM 0 HA LYS A 13 9.501 0.316 -6.875 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.881 -1.174 -6.881 1.00 10.00 H new ATOM 0 HB3 LYS A 13 6.995 0.340 -6.006 1.00 10.00 H new ATOM 0 HG2 LYS A 13 5.987 0.413 -8.314 1.00 10.00 H new ATOM 0 HG3 LYS A 13 7.209 1.610 -7.934 1.00 10.00 H new ATOM 0 HD2 LYS A 13 8.196 -0.815 -9.347 1.00 10.00 H new ATOM 0 HD3 LYS A 13 7.101 0.205 -10.258 1.00 10.00 H new ATOM 0 HE2 LYS A 13 8.563 2.038 -10.248 1.00 10.00 H new ATOM 0 HE3 LYS A 13 9.344 1.550 -8.757 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 10.553 1.275 -10.998 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 10.675 0.050 -9.828 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 9.622 -0.137 -11.147 1.00 10.00 H new ATOM 220 N CYS A 14 8.398 -1.742 -4.479 1.00 10.00 N ATOM 221 CA CYS A 14 8.148 -1.870 -3.050 1.00 10.00 C ATOM 222 C CYS A 14 9.060 -2.968 -2.481 1.00 10.00 C ATOM 223 O CYS A 14 9.988 -2.671 -1.735 1.00 10.00 O ATOM 224 CB CYS A 14 6.666 -2.104 -2.780 1.00 10.00 C ATOM 225 SG CYS A 14 5.539 -1.667 -4.165 1.00 10.00 S ATOM 0 H CYS A 14 8.049 -2.529 -5.026 1.00 10.00 H new ATOM 0 HA CYS A 14 8.394 -0.942 -2.534 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.520 -3.155 -2.532 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.377 -1.526 -1.902 1.00 10.00 H new ATOM 0 HG CYS A 14 4.788 -2.688 -4.452 1.00 10.00 H new ATOM 230 N ALA A 15 8.806 -4.224 -2.866 1.00 10.00 N ATOM 231 CA ALA A 15 9.561 -5.443 -2.557 1.00 10.00 C ATOM 232 C ALA A 15 10.244 -5.519 -1.188 1.00 10.00 C ATOM 233 O ALA A 15 9.745 -6.178 -0.279 1.00 10.00 O ATOM 234 CB ALA A 15 10.547 -5.744 -3.689 1.00 10.00 C ATOM 0 H ALA A 15 7.997 -4.431 -3.452 1.00 10.00 H new ATOM 0 HA ALA A 15 8.799 -6.218 -2.482 1.00 10.00 H new ATOM 0 HB1 ALA A 15 11.105 -6.650 -3.454 1.00 10.00 H new ATOM 0 HB2 ALA A 15 9.999 -5.886 -4.620 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.240 -4.910 -3.799 1.00 10.00 H new ATOM 240 N GLN A 16 11.392 -4.867 -0.994 1.00 10.00 N ATOM 241 CA GLN A 16 12.046 -4.824 0.302 1.00 10.00 C ATOM 242 C GLN A 16 11.333 -3.798 1.190 1.00 10.00 C ATOM 243 O GLN A 16 11.965 -2.955 1.821 1.00 10.00 O ATOM 244 CB GLN A 16 13.552 -4.558 0.134 1.00 10.00 C ATOM 245 CG GLN A 16 14.350 -5.849 -0.122 1.00 10.00 C ATOM 246 CD GLN A 16 15.779 -5.741 0.409 1.00 10.00 C ATOM 247 OE1 GLN A 16 15.981 -5.481 1.591 1.00 10.00 O ATOM 248 NE2 GLN A 16 16.784 -5.966 -0.431 1.00 10.00 N ATOM 0 H GLN A 16 11.886 -4.360 -1.728 1.00 10.00 H new ATOM 0 HA GLN A 16 11.971 -5.789 0.803 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.706 -3.868 -0.696 1.00 10.00 H new ATOM 0 HB3 GLN A 16 13.934 -4.069 1.030 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.846 -6.690 0.355 1.00 10.00 H new ATOM 0 HG3 GLN A 16 14.373 -6.057 -1.192 1.00 10.00 H new ATOM 0 HE21 GLN A 16 16.592 -6.180 -1.410 1.00 10.00 H new ATOM 0 HE22 GLN A 16 17.747 -5.924 -0.097 1.00 10.00 H new ATOM 257 N CYS A 17 10.008 -3.923 1.301 1.00 10.00 N ATOM 258 CA CYS A 17 9.213 -3.159 2.241 1.00 10.00 C ATOM 259 C CYS A 17 7.855 -3.816 2.466 1.00 10.00 C ATOM 260 O CYS A 17 7.449 -3.936 3.618 1.00 10.00 O ATOM 261 CB CYS A 17 9.089 -1.704 1.848 1.00 10.00 C ATOM 262 SG CYS A 17 8.872 -0.788 3.399 1.00 10.00 S ATOM 0 H CYS A 17 9.460 -4.567 0.731 1.00 10.00 H new ATOM 0 HA CYS A 17 9.743 -3.164 3.193 1.00 10.00 H new ATOM 0 HB2 CYS A 17 9.978 -1.366 1.316 1.00 10.00 H new ATOM 0 HB3 CYS A 17 8.240 -1.550 1.181 1.00 10.00 H new ATOM 0 HG CYS A 17 8.759 0.481 3.141 1.00 10.00 H new ATOM 267 N HIS A 18 7.174 -4.266 1.402 1.00 10.00 N ATOM 268 CA HIS A 18 5.917 -4.994 1.509 1.00 10.00 C ATOM 269 C HIS A 18 6.096 -6.387 0.941 1.00 10.00 C ATOM 270 O HIS A 18 7.028 -6.634 0.184 1.00 10.00 O ATOM 271 CB HIS A 18 4.832 -4.291 0.704 1.00 10.00 C ATOM 272 CG HIS A 18 4.269 -3.085 1.389 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.299 -3.065 2.369 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.478 -1.805 0.978 1.00 10.00 C ATOM 275 CE1 HIS A 18 2.912 -1.783 2.505 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.611 -0.979 1.687 1.00 10.00 N ATOM 0 H HIS A 18 7.488 -4.130 0.441 1.00 10.00 H new ATOM 0 HA HIS A 18 5.628 -5.039 2.559 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.242 -3.993 -0.261 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.025 -4.996 0.504 1.00 10.00 H new ATOM 0 HD1 HIS A 18 2.944 -3.867 2.890 1.00 10.00 H new ATOM 0 HD2 HIS A 18 5.191 -1.486 0.233 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.141 -1.445 3.182 1.00 10.00 H new ATOM 284 N THR A 19 5.155 -7.270 1.270 1.00 10.00 N ATOM 285 CA THR A 19 5.211 -8.668 0.883 1.00 10.00 C ATOM 286 C THR A 19 3.953 -9.118 0.143 1.00 10.00 C ATOM 287 O THR A 19 4.055 -9.858 -0.829 1.00 10.00 O ATOM 288 CB THR A 19 5.485 -9.492 2.134 1.00 10.00 C ATOM 289 OG1 THR A 19 6.616 -8.975 2.808 1.00 10.00 O ATOM 290 CG2 THR A 19 5.749 -10.944 1.762 1.00 10.00 C ATOM 0 H THR A 19 4.329 -7.028 1.817 1.00 10.00 H new ATOM 0 HA THR A 19 6.020 -8.819 0.168 1.00 10.00 H new ATOM 0 HB THR A 19 4.611 -9.440 2.783 1.00 10.00 H new ATOM 0 HG1 THR A 19 6.664 -9.359 3.708 1.00 10.00 H new ATOM 0 HG21 THR A 19 5.943 -11.522 2.666 1.00 10.00 H new ATOM 0 HG22 THR A 19 4.878 -11.353 1.250 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.615 -10.999 1.103 1.00 10.00 H new ATOM 298 N VAL A 20 2.785 -8.668 0.606 1.00 10.00 N ATOM 299 CA VAL A 20 1.481 -8.994 0.044 1.00 10.00 C ATOM 300 C VAL A 20 1.268 -10.508 0.009 1.00 10.00 C ATOM 301 O VAL A 20 0.672 -11.002 -0.940 1.00 10.00 O ATOM 302 CB VAL A 20 1.219 -8.308 -1.326 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.291 -6.780 -1.218 1.00 10.00 C ATOM 304 CG2 VAL A 20 2.084 -8.745 -2.516 1.00 10.00 C ATOM 0 H VAL A 20 2.723 -8.045 1.411 1.00 10.00 H new ATOM 0 HA VAL A 20 0.726 -8.576 0.710 1.00 10.00 H new ATOM 0 HB VAL A 20 0.212 -8.657 -1.554 1.00 10.00 H new ATOM 0 HG11 VAL A 20 1.103 -6.337 -2.196 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.540 -6.430 -0.510 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.282 -6.486 -0.871 1.00 10.00 H new ATOM 0 HG21 VAL A 20 1.791 -8.184 -3.404 1.00 10.00 H new ATOM 0 HG22 VAL A 20 3.133 -8.551 -2.294 1.00 10.00 H new ATOM 0 HG23 VAL A 20 1.942 -9.811 -2.697 1.00 10.00 H new ATOM 314 N GLU A 21 1.747 -11.249 1.018 1.00 10.00 N ATOM 315 CA GLU A 21 1.646 -12.706 1.004 1.00 10.00 C ATOM 316 C GLU A 21 1.784 -13.271 2.422 1.00 10.00 C ATOM 317 O GLU A 21 2.083 -12.525 3.345 1.00 10.00 O ATOM 318 CB GLU A 21 2.597 -13.293 -0.057 1.00 10.00 C ATOM 319 CG GLU A 21 3.914 -13.878 0.464 1.00 10.00 C ATOM 320 CD GLU A 21 3.889 -15.402 0.545 1.00 10.00 C ATOM 321 OE1 GLU A 21 2.786 -15.942 0.788 1.00 10.00 O ATOM 322 OE2 GLU A 21 4.970 -15.992 0.335 1.00 10.00 O ATOM 0 H GLU A 21 2.203 -10.863 1.845 1.00 10.00 H new ATOM 0 HA GLU A 21 0.652 -13.024 0.689 1.00 10.00 H new ATOM 0 HB2 GLU A 21 2.065 -14.075 -0.598 1.00 10.00 H new ATOM 0 HB3 GLU A 21 2.832 -12.510 -0.778 1.00 10.00 H new ATOM 0 HG2 GLU A 21 4.729 -13.566 -0.189 1.00 10.00 H new ATOM 0 HG3 GLU A 21 4.123 -13.469 1.452 1.00 10.00 H new ATOM 329 N LYS A 22 1.547 -14.558 2.652 1.00 10.00 N ATOM 330 CA LYS A 22 1.659 -15.121 3.990 1.00 10.00 C ATOM 331 C LYS A 22 3.117 -15.104 4.465 1.00 10.00 C ATOM 332 O LYS A 22 4.055 -15.187 3.682 1.00 10.00 O ATOM 333 CB LYS A 22 1.044 -16.533 4.022 1.00 10.00 C ATOM 334 CG LYS A 22 -0.250 -16.589 4.845 1.00 10.00 C ATOM 335 CD LYS A 22 -0.002 -17.038 6.290 1.00 10.00 C ATOM 336 CE LYS A 22 -1.257 -16.888 7.168 1.00 10.00 C ATOM 337 NZ LYS A 22 -2.451 -17.524 6.572 1.00 10.00 N ATOM 0 H LYS A 22 1.277 -15.228 1.931 1.00 10.00 H new ATOM 0 HA LYS A 22 1.095 -14.504 4.690 1.00 10.00 H new ATOM 0 HB2 LYS A 22 0.838 -16.860 3.003 1.00 10.00 H new ATOM 0 HB3 LYS A 22 1.768 -17.232 4.440 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -0.719 -15.605 4.848 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -0.951 -17.275 4.369 1.00 10.00 H new ATOM 0 HD2 LYS A 22 0.321 -18.079 6.295 1.00 10.00 H new ATOM 0 HD3 LYS A 22 0.811 -16.450 6.717 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -1.066 -17.329 8.146 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -1.457 -15.829 7.330 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -3.231 -17.512 7.260 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -2.734 -17.000 5.719 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -2.229 -18.507 6.316 1.00 10.00 H new ATOM 351 N GLY A 23 3.314 -14.968 5.780 1.00 10.00 N ATOM 352 CA GLY A 23 4.643 -14.997 6.374 1.00 10.00 C ATOM 353 C GLY A 23 5.532 -13.840 5.911 1.00 10.00 C ATOM 354 O GLY A 23 6.756 -13.938 5.986 1.00 10.00 O ATOM 0 H GLY A 23 2.559 -14.836 6.453 1.00 10.00 H new ATOM 0 HA2 GLY A 23 4.550 -14.964 7.460 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.126 -15.941 6.124 1.00 10.00 H new ATOM 358 N GLY A 24 4.936 -12.710 5.511 1.00 10.00 N ATOM 359 CA GLY A 24 5.674 -11.583 4.953 1.00 10.00 C ATOM 360 C GLY A 24 6.541 -10.818 5.959 1.00 10.00 C ATOM 361 O GLY A 24 7.168 -9.821 5.608 1.00 10.00 O ATOM 0 H GLY A 24 3.929 -12.557 5.567 1.00 10.00 H new ATOM 0 HA2 GLY A 24 6.313 -11.948 4.149 1.00 10.00 H new ATOM 0 HA3 GLY A 24 4.964 -10.888 4.505 1.00 10.00 H new ATOM 365 N LYS A 25 6.593 -11.280 7.211 1.00 10.00 N ATOM 366 CA LYS A 25 7.306 -10.631 8.296 1.00 10.00 C ATOM 367 C LYS A 25 6.769 -9.210 8.533 1.00 10.00 C ATOM 368 O LYS A 25 5.670 -8.875 8.095 1.00 10.00 O ATOM 369 CB LYS A 25 8.830 -10.698 8.076 1.00 10.00 C ATOM 370 CG LYS A 25 9.305 -12.105 7.663 1.00 10.00 C ATOM 371 CD LYS A 25 10.787 -12.332 8.036 1.00 10.00 C ATOM 372 CE LYS A 25 11.010 -13.609 8.869 1.00 10.00 C ATOM 373 NZ LYS A 25 11.336 -14.787 8.036 1.00 10.00 N ATOM 0 H LYS A 25 6.125 -12.140 7.498 1.00 10.00 H new ATOM 0 HA LYS A 25 7.120 -11.176 9.221 1.00 10.00 H new ATOM 0 HB2 LYS A 25 9.115 -9.981 7.306 1.00 10.00 H new ATOM 0 HB3 LYS A 25 9.340 -10.400 8.992 1.00 10.00 H new ATOM 0 HG2 LYS A 25 8.686 -12.858 8.151 1.00 10.00 H new ATOM 0 HG3 LYS A 25 9.175 -12.234 6.588 1.00 10.00 H new ATOM 0 HD2 LYS A 25 11.380 -12.392 7.124 1.00 10.00 H new ATOM 0 HD3 LYS A 25 11.151 -11.471 8.597 1.00 10.00 H new ATOM 0 HE2 LYS A 25 11.819 -13.437 9.580 1.00 10.00 H new ATOM 0 HE3 LYS A 25 10.113 -13.819 9.451 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 11.476 -15.617 8.647 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 10.555 -14.972 7.375 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 12.207 -14.602 7.499 1.00 10.00 H new ATOM 387 N HIS A 26 7.526 -8.393 9.271 1.00 10.00 N ATOM 388 CA HIS A 26 7.120 -7.061 9.696 1.00 10.00 C ATOM 389 C HIS A 26 8.358 -6.159 9.672 1.00 10.00 C ATOM 390 O HIS A 26 8.873 -5.789 10.722 1.00 10.00 O ATOM 391 CB HIS A 26 6.503 -7.145 11.105 1.00 10.00 C ATOM 392 CG HIS A 26 5.365 -8.131 11.240 1.00 10.00 C ATOM 393 ND1 HIS A 26 5.468 -9.403 11.760 1.00 10.00 N ATOM 394 CD2 HIS A 26 4.055 -7.939 10.883 1.00 10.00 C ATOM 395 CE1 HIS A 26 4.249 -9.965 11.704 1.00 10.00 C ATOM 396 NE2 HIS A 26 3.358 -9.116 11.170 1.00 10.00 N ATOM 0 H HIS A 26 8.459 -8.650 9.594 1.00 10.00 H new ATOM 0 HA HIS A 26 6.366 -6.643 9.029 1.00 10.00 H new ATOM 0 HB2 HIS A 26 7.286 -7.415 11.814 1.00 10.00 H new ATOM 0 HB3 HIS A 26 6.144 -6.156 11.389 1.00 10.00 H new ATOM 0 HD2 HIS A 26 3.637 -7.039 10.456 1.00 10.00 H new ATOM 0 HE1 HIS A 26 4.018 -10.964 12.043 1.00 10.00 H new ATOM 0 HE2 HIS A 26 2.367 -9.294 11.006 1.00 10.00 H new ATOM 404 N LYS A 27 8.874 -5.858 8.475 1.00 10.00 N ATOM 405 CA LYS A 27 10.059 -5.018 8.317 1.00 10.00 C ATOM 406 C LYS A 27 9.687 -3.538 8.478 1.00 10.00 C ATOM 407 O LYS A 27 9.855 -2.989 9.562 1.00 10.00 O ATOM 408 CB LYS A 27 10.787 -5.360 6.999 1.00 10.00 C ATOM 409 CG LYS A 27 11.702 -6.588 7.189 1.00 10.00 C ATOM 410 CD LYS A 27 11.445 -7.788 6.261 1.00 10.00 C ATOM 411 CE LYS A 27 12.110 -7.699 4.876 1.00 10.00 C ATOM 412 NZ LYS A 27 11.270 -7.015 3.872 1.00 10.00 N ATOM 0 H LYS A 27 8.481 -6.190 7.594 1.00 10.00 H new ATOM 0 HA LYS A 27 10.779 -5.226 9.109 1.00 10.00 H new ATOM 0 HB2 LYS A 27 10.057 -5.561 6.215 1.00 10.00 H new ATOM 0 HB3 LYS A 27 11.379 -4.505 6.671 1.00 10.00 H new ATOM 0 HG2 LYS A 27 12.735 -6.268 7.054 1.00 10.00 H new ATOM 0 HG3 LYS A 27 11.606 -6.928 8.220 1.00 10.00 H new ATOM 0 HD2 LYS A 27 11.796 -8.693 6.757 1.00 10.00 H new ATOM 0 HD3 LYS A 27 10.369 -7.897 6.124 1.00 10.00 H new ATOM 0 HE2 LYS A 27 13.058 -7.170 4.968 1.00 10.00 H new ATOM 0 HE3 LYS A 27 12.339 -8.705 4.524 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 11.771 -6.986 2.961 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 10.375 -7.532 3.758 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 11.072 -6.044 4.188 1.00 10.00 H new ATOM 426 N THR A 28 9.170 -2.905 7.422 1.00 10.00 N ATOM 427 CA THR A 28 8.691 -1.526 7.484 1.00 10.00 C ATOM 428 C THR A 28 7.253 -1.481 6.973 1.00 10.00 C ATOM 429 O THR A 28 6.348 -1.131 7.728 1.00 10.00 O ATOM 430 CB THR A 28 9.679 -0.556 6.813 1.00 10.00 C ATOM 431 OG1 THR A 28 10.913 -0.612 7.496 1.00 10.00 O ATOM 432 CG2 THR A 28 9.171 0.889 6.834 1.00 10.00 C ATOM 0 H THR A 28 9.073 -3.335 6.502 1.00 10.00 H new ATOM 0 HA THR A 28 8.655 -1.167 8.513 1.00 10.00 H new ATOM 0 HB THR A 28 9.790 -0.861 5.772 1.00 10.00 H new ATOM 0 HG1 THR A 28 11.549 0.002 7.073 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.900 1.538 6.350 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.222 0.949 6.301 1.00 10.00 H new ATOM 0 HG23 THR A 28 9.029 1.210 7.866 1.00 10.00 H new ATOM 440 N GLY A 29 7.005 -1.866 5.720 1.00 10.00 N ATOM 441 CA GLY A 29 5.644 -1.970 5.230 1.00 10.00 C ATOM 442 C GLY A 29 4.967 -3.166 5.889 1.00 10.00 C ATOM 443 O GLY A 29 5.595 -4.217 6.021 1.00 10.00 O ATOM 0 H GLY A 29 7.725 -2.107 5.038 1.00 10.00 H new ATOM 0 HA2 GLY A 29 5.093 -1.056 5.453 1.00 10.00 H new ATOM 0 HA3 GLY A 29 5.642 -2.087 4.146 1.00 10.00 H new ATOM 447 N PRO A 30 3.704 -3.042 6.322 1.00 10.00 N ATOM 448 CA PRO A 30 2.992 -4.195 6.804 1.00 10.00 C ATOM 449 C PRO A 30 2.808 -5.177 5.658 1.00 10.00 C ATOM 450 O PRO A 30 2.647 -4.805 4.490 1.00 10.00 O ATOM 451 CB PRO A 30 1.670 -3.693 7.389 1.00 10.00 C ATOM 452 CG PRO A 30 1.462 -2.318 6.751 1.00 10.00 C ATOM 453 CD PRO A 30 2.865 -1.858 6.343 1.00 10.00 C ATOM 0 HA PRO A 30 3.533 -4.730 7.585 1.00 10.00 H new ATOM 0 HB2 PRO A 30 0.849 -4.369 7.150 1.00 10.00 H new ATOM 0 HB3 PRO A 30 1.719 -3.622 8.476 1.00 10.00 H new ATOM 0 HG2 PRO A 30 0.799 -2.379 5.888 1.00 10.00 H new ATOM 0 HG3 PRO A 30 1.006 -1.621 7.454 1.00 10.00 H new ATOM 0 HD2 PRO A 30 2.846 -1.380 5.363 1.00 10.00 H new ATOM 0 HD3 PRO A 30 3.251 -1.123 7.049 1.00 10.00 H new ATOM 461 N ASN A 31 2.868 -6.454 6.020 1.00 10.00 N ATOM 462 CA ASN A 31 2.607 -7.540 5.110 1.00 10.00 C ATOM 463 C ASN A 31 1.170 -7.417 4.629 1.00 10.00 C ATOM 464 O ASN A 31 0.251 -7.748 5.376 1.00 10.00 O ATOM 465 CB ASN A 31 2.787 -8.859 5.851 1.00 10.00 C ATOM 466 CG ASN A 31 2.328 -9.992 4.955 1.00 10.00 C ATOM 467 OD1 ASN A 31 2.371 -9.867 3.729 1.00 10.00 O ATOM 468 ND2 ASN A 31 1.875 -11.084 5.557 1.00 10.00 N ATOM 0 H ASN A 31 3.102 -6.757 6.965 1.00 10.00 H new ATOM 0 HA ASN A 31 3.291 -7.507 4.262 1.00 10.00 H new ATOM 0 HB2 ASN A 31 3.832 -8.997 6.127 1.00 10.00 H new ATOM 0 HB3 ASN A 31 2.211 -8.853 6.776 1.00 10.00 H new ATOM 0 HD21 ASN A 31 1.541 -11.871 5.001 1.00 10.00 H new ATOM 0 HD22 ASN A 31 1.861 -11.136 6.576 1.00 10.00 H new ATOM 475 N LEU A 32 0.966 -6.940 3.400 1.00 10.00 N ATOM 476 CA LEU A 32 -0.355 -6.509 2.973 1.00 10.00 C ATOM 477 C LEU A 32 -1.296 -7.666 2.588 1.00 10.00 C ATOM 478 O LEU A 32 -2.077 -7.562 1.646 1.00 10.00 O ATOM 479 CB LEU A 32 -0.228 -5.410 1.901 1.00 10.00 C ATOM 480 CG LEU A 32 -0.397 -4.002 2.486 1.00 10.00 C ATOM 481 CD1 LEU A 32 -0.315 -3.001 1.330 1.00 10.00 C ATOM 482 CD2 LEU A 32 -1.724 -3.870 3.251 1.00 10.00 C ATOM 0 H LEU A 32 1.695 -6.845 2.693 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.857 -6.068 3.834 1.00 10.00 H new ATOM 0 HB2 LEU A 32 0.747 -5.486 1.420 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -0.979 -5.572 1.127 1.00 10.00 H new ATOM 0 HG LEU A 32 0.394 -3.800 3.208 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.432 -1.989 1.716 1.00 10.00 H new ATOM 0 HD12 LEU A 32 0.653 -3.092 0.838 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -1.108 -3.209 0.612 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -1.813 -2.861 3.653 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -2.555 -4.066 2.574 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.745 -4.590 4.069 1.00 10.00 H new ATOM 494 N HIS A 33 -1.265 -8.768 3.336 1.00 10.00 N ATOM 495 CA HIS A 33 -1.960 -10.009 3.033 1.00 10.00 C ATOM 496 C HIS A 33 -3.445 -9.919 3.420 1.00 10.00 C ATOM 497 O HIS A 33 -3.935 -10.662 4.268 1.00 10.00 O ATOM 498 CB HIS A 33 -1.208 -11.138 3.742 1.00 10.00 C ATOM 499 CG HIS A 33 -1.771 -12.516 3.511 1.00 10.00 C ATOM 500 ND1 HIS A 33 -2.040 -13.120 2.303 1.00 10.00 N ATOM 501 CD2 HIS A 33 -2.141 -13.382 4.499 1.00 10.00 C ATOM 502 CE1 HIS A 33 -2.568 -14.329 2.568 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.657 -14.534 3.897 1.00 10.00 N ATOM 0 H HIS A 33 -0.732 -8.818 4.204 1.00 10.00 H new ATOM 0 HA HIS A 33 -1.964 -10.211 1.962 1.00 10.00 H new ATOM 0 HB2 HIS A 33 -0.169 -11.126 3.413 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -1.206 -10.937 4.813 1.00 10.00 H new ATOM 0 HD1 HIS A 33 -1.870 -12.724 1.378 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -2.051 -13.208 5.561 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -2.879 -15.040 1.816 1.00 10.00 H new ATOM 511 N GLY A 34 -4.153 -8.979 2.794 1.00 10.00 N ATOM 512 CA GLY A 34 -5.586 -8.774 2.938 1.00 10.00 C ATOM 513 C GLY A 34 -5.933 -7.297 2.805 1.00 10.00 C ATOM 514 O GLY A 34 -6.696 -6.768 3.609 1.00 10.00 O ATOM 0 H GLY A 34 -3.723 -8.316 2.149 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -6.119 -9.348 2.180 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -5.916 -9.145 3.909 1.00 10.00 H new ATOM 518 N LEU A 35 -5.370 -6.623 1.797 1.00 10.00 N ATOM 519 CA LEU A 35 -5.614 -5.213 1.562 1.00 10.00 C ATOM 520 C LEU A 35 -7.046 -5.047 1.049 1.00 10.00 C ATOM 521 O LEU A 35 -7.879 -4.389 1.671 1.00 10.00 O ATOM 522 CB LEU A 35 -4.571 -4.695 0.551 1.00 10.00 C ATOM 523 CG LEU A 35 -4.682 -3.205 0.194 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.196 -2.267 1.292 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.856 -2.913 -1.050 1.00 10.00 C ATOM 0 H LEU A 35 -4.732 -7.049 1.125 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.513 -4.630 2.477 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.576 -4.881 0.954 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.658 -5.278 -0.366 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.745 -3.020 0.040 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.307 -1.234 0.963 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.786 -2.426 2.194 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.146 -2.469 1.505 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -3.937 -1.855 -1.300 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.812 -3.162 -0.860 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -4.227 -3.512 -1.882 1.00 10.00 H new ATOM 537 N PHE A 36 -7.328 -5.682 -0.091 1.00 10.00 N ATOM 538 CA PHE A 36 -8.635 -5.682 -0.727 1.00 10.00 C ATOM 539 C PHE A 36 -9.632 -6.462 0.130 1.00 10.00 C ATOM 540 O PHE A 36 -9.914 -7.622 -0.165 1.00 10.00 O ATOM 541 CB PHE A 36 -8.536 -6.281 -2.138 1.00 10.00 C ATOM 542 CG PHE A 36 -7.813 -5.403 -3.138 1.00 10.00 C ATOM 543 CD1 PHE A 36 -6.407 -5.370 -3.158 1.00 10.00 C ATOM 544 CD2 PHE A 36 -8.543 -4.570 -4.007 1.00 10.00 C ATOM 545 CE1 PHE A 36 -5.745 -4.417 -3.944 1.00 10.00 C ATOM 546 CE2 PHE A 36 -7.870 -3.659 -4.839 1.00 10.00 C ATOM 547 CZ PHE A 36 -6.474 -3.533 -4.749 1.00 10.00 C ATOM 0 H PHE A 36 -6.632 -6.222 -0.605 1.00 10.00 H new ATOM 0 HA PHE A 36 -8.990 -4.655 -0.818 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -8.023 -7.241 -2.077 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.542 -6.480 -2.507 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -5.840 -6.076 -2.570 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -9.621 -4.631 -4.034 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -4.666 -4.364 -3.929 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -8.424 -3.058 -5.545 1.00 10.00 H new ATOM 0 HZ PHE A 36 -5.964 -2.756 -5.299 1.00 10.00 H new ATOM 557 N GLY A 37 -10.169 -5.807 1.164 1.00 10.00 N ATOM 558 CA GLY A 37 -11.254 -6.310 2.000 1.00 10.00 C ATOM 559 C GLY A 37 -10.957 -6.129 3.489 1.00 10.00 C ATOM 560 O GLY A 37 -11.050 -7.081 4.268 1.00 10.00 O ATOM 0 H GLY A 37 -9.847 -4.882 1.448 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.178 -5.789 1.748 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.416 -7.367 1.788 1.00 10.00 H new ATOM 564 N ARG A 38 -10.630 -4.897 3.891 1.00 10.00 N ATOM 565 CA ARG A 38 -10.340 -4.519 5.266 1.00 10.00 C ATOM 566 C ARG A 38 -10.454 -2.997 5.363 1.00 10.00 C ATOM 567 O ARG A 38 -10.406 -2.307 4.341 1.00 10.00 O ATOM 568 CB ARG A 38 -8.924 -4.987 5.652 1.00 10.00 C ATOM 569 CG ARG A 38 -8.851 -5.876 6.905 1.00 10.00 C ATOM 570 CD ARG A 38 -8.833 -7.384 6.612 1.00 10.00 C ATOM 571 NE ARG A 38 -10.173 -7.990 6.667 1.00 10.00 N ATOM 572 CZ ARG A 38 -10.709 -8.556 7.763 1.00 10.00 C ATOM 573 NH1 ARG A 38 -10.159 -8.324 8.960 1.00 10.00 N ATOM 574 NH2 ARG A 38 -11.781 -9.351 7.671 1.00 10.00 N ATOM 0 H ARG A 38 -10.559 -4.114 3.242 1.00 10.00 H new ATOM 0 HA ARG A 38 -11.043 -4.989 5.953 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.497 -5.534 4.812 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -8.298 -4.109 5.811 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -7.954 -5.617 7.468 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -9.705 -5.652 7.545 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -8.403 -7.553 5.625 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -8.184 -7.882 7.332 1.00 10.00 H new ATOM 0 HE ARG A 38 -10.734 -7.980 5.815 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -9.339 -7.722 9.037 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -10.559 -8.749 9.796 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -12.203 -9.535 6.761 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -12.176 -9.773 8.511 1.00 10.00 H new ATOM 588 N LYS A 39 -10.618 -2.489 6.587 1.00 10.00 N ATOM 589 CA LYS A 39 -10.587 -1.062 6.868 1.00 10.00 C ATOM 590 C LYS A 39 -9.149 -0.635 7.174 1.00 10.00 C ATOM 591 O LYS A 39 -8.266 -1.476 7.336 1.00 10.00 O ATOM 592 CB LYS A 39 -11.530 -0.744 8.035 1.00 10.00 C ATOM 593 CG LYS A 39 -12.986 -1.053 7.674 1.00 10.00 C ATOM 594 CD LYS A 39 -13.945 -0.203 8.517 1.00 10.00 C ATOM 595 CE LYS A 39 -15.388 -0.483 8.081 1.00 10.00 C ATOM 596 NZ LYS A 39 -16.339 0.534 8.582 1.00 10.00 N ATOM 0 H LYS A 39 -10.777 -3.066 7.413 1.00 10.00 H new ATOM 0 HA LYS A 39 -10.930 -0.502 5.998 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.239 -1.326 8.910 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -11.435 0.308 8.306 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -13.153 -0.856 6.615 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -13.190 -2.111 7.838 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -13.821 -0.435 9.575 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -13.715 0.855 8.394 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -15.435 -0.515 6.993 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -15.689 -1.466 8.442 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -17.300 0.299 8.260 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -16.316 0.548 9.622 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -16.071 1.470 8.217 1.00 10.00 H new ATOM 610 N THR A 40 -8.914 0.675 7.243 1.00 10.00 N ATOM 611 CA THR A 40 -7.622 1.266 7.531 1.00 10.00 C ATOM 612 C THR A 40 -7.321 1.268 9.030 1.00 10.00 C ATOM 613 O THR A 40 -8.161 0.895 9.847 1.00 10.00 O ATOM 614 CB THR A 40 -7.668 2.687 6.964 1.00 10.00 C ATOM 615 OG1 THR A 40 -8.811 3.360 7.448 1.00 10.00 O ATOM 616 CG2 THR A 40 -7.775 2.620 5.446 1.00 10.00 C ATOM 0 H THR A 40 -9.646 1.370 7.094 1.00 10.00 H new ATOM 0 HA THR A 40 -6.819 0.687 7.075 1.00 10.00 H new ATOM 0 HB THR A 40 -6.763 3.215 7.266 1.00 10.00 H new ATOM 0 HG1 THR A 40 -8.640 3.684 8.357 1.00 10.00 H new ATOM 0 HG21 THR A 40 -7.808 3.630 5.039 1.00 10.00 H new ATOM 0 HG22 THR A 40 -6.909 2.094 5.043 1.00 10.00 H new ATOM 0 HG23 THR A 40 -8.684 2.087 5.169 1.00 10.00 H new ATOM 624 N GLY A 41 -6.122 1.738 9.382 1.00 10.00 N ATOM 625 CA GLY A 41 -5.633 1.815 10.755 1.00 10.00 C ATOM 626 C GLY A 41 -5.870 0.544 11.568 1.00 10.00 C ATOM 627 O GLY A 41 -6.377 0.616 12.689 1.00 10.00 O ATOM 0 H GLY A 41 -5.448 2.084 8.699 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -4.565 2.030 10.738 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -6.119 2.652 11.257 1.00 10.00 H new ATOM 631 N GLN A 42 -5.487 -0.607 11.014 1.00 10.00 N ATOM 632 CA GLN A 42 -5.587 -1.901 11.666 1.00 10.00 C ATOM 633 C GLN A 42 -4.568 -2.837 11.018 1.00 10.00 C ATOM 634 O GLN A 42 -4.282 -2.691 9.832 1.00 10.00 O ATOM 635 CB GLN A 42 -7.019 -2.448 11.547 1.00 10.00 C ATOM 636 CG GLN A 42 -7.533 -2.499 10.097 1.00 10.00 C ATOM 637 CD GLN A 42 -8.222 -3.818 9.771 1.00 10.00 C ATOM 638 OE1 GLN A 42 -9.394 -3.858 9.403 1.00 10.00 O ATOM 639 NE2 GLN A 42 -7.490 -4.922 9.916 1.00 10.00 N ATOM 0 H GLN A 42 -5.090 -0.660 10.076 1.00 10.00 H new ATOM 0 HA GLN A 42 -5.368 -1.814 12.730 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -7.054 -3.451 11.973 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -7.689 -1.826 12.141 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.230 -1.678 9.933 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -6.698 -2.350 9.413 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -6.520 -4.854 10.223 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -7.900 -5.835 9.720 1.00 10.00 H new ATOM 648 N ALA A 43 -4.029 -3.797 11.773 1.00 10.00 N ATOM 649 CA ALA A 43 -3.064 -4.767 11.276 1.00 10.00 C ATOM 650 C ALA A 43 -2.920 -5.875 12.321 1.00 10.00 C ATOM 651 O ALA A 43 -3.127 -5.606 13.506 1.00 10.00 O ATOM 652 CB ALA A 43 -1.714 -4.082 11.043 1.00 10.00 C ATOM 0 H ALA A 43 -4.257 -3.920 12.760 1.00 10.00 H new ATOM 0 HA ALA A 43 -3.403 -5.189 10.330 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -0.995 -4.812 10.671 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -1.833 -3.284 10.310 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -1.352 -3.662 11.982 1.00 10.00 H new ATOM 658 N PRO A 44 -2.587 -7.112 11.921 1.00 10.00 N ATOM 659 CA PRO A 44 -2.434 -8.214 12.852 1.00 10.00 C ATOM 660 C PRO A 44 -1.123 -8.071 13.633 1.00 10.00 C ATOM 661 O PRO A 44 -0.073 -8.493 13.159 1.00 10.00 O ATOM 662 CB PRO A 44 -2.474 -9.480 11.989 1.00 10.00 C ATOM 663 CG PRO A 44 -1.943 -9.012 10.633 1.00 10.00 C ATOM 664 CD PRO A 44 -2.413 -7.559 10.546 1.00 10.00 C ATOM 0 HA PRO A 44 -3.220 -8.243 13.607 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -1.854 -10.271 12.410 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -3.486 -9.877 11.907 1.00 10.00 H new ATOM 0 HG2 PRO A 44 -0.857 -9.086 10.580 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -2.343 -9.613 9.816 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -1.681 -6.942 10.025 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -3.347 -7.483 9.990 1.00 10.00 H new ATOM 672 N GLY A 45 -1.192 -7.491 14.837 1.00 10.00 N ATOM 673 CA GLY A 45 -0.071 -7.425 15.770 1.00 10.00 C ATOM 674 C GLY A 45 1.158 -6.769 15.140 1.00 10.00 C ATOM 675 O GLY A 45 2.219 -7.381 15.035 1.00 10.00 O ATOM 0 H GLY A 45 -2.041 -7.050 15.191 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.368 -6.863 16.655 1.00 10.00 H new ATOM 0 HA3 GLY A 45 0.185 -8.431 16.102 1.00 10.00 H new ATOM 679 N PHE A 46 1.003 -5.511 14.723 1.00 10.00 N ATOM 680 CA PHE A 46 2.000 -4.752 13.986 1.00 10.00 C ATOM 681 C PHE A 46 1.878 -3.284 14.412 1.00 10.00 C ATOM 682 O PHE A 46 0.766 -2.807 14.637 1.00 10.00 O ATOM 683 CB PHE A 46 1.713 -4.925 12.490 1.00 10.00 C ATOM 684 CG PHE A 46 2.366 -3.902 11.580 1.00 10.00 C ATOM 685 CD1 PHE A 46 3.668 -4.115 11.095 1.00 10.00 C ATOM 686 CD2 PHE A 46 1.690 -2.709 11.259 1.00 10.00 C ATOM 687 CE1 PHE A 46 4.282 -3.158 10.269 1.00 10.00 C ATOM 688 CE2 PHE A 46 2.306 -1.748 10.439 1.00 10.00 C ATOM 689 CZ PHE A 46 3.607 -1.967 9.955 1.00 10.00 C ATOM 0 H PHE A 46 0.150 -4.980 14.898 1.00 10.00 H new ATOM 0 HA PHE A 46 3.014 -5.095 14.189 1.00 10.00 H new ATOM 0 HB2 PHE A 46 2.042 -5.919 12.187 1.00 10.00 H new ATOM 0 HB3 PHE A 46 0.634 -4.886 12.337 1.00 10.00 H new ATOM 0 HD1 PHE A 46 4.199 -5.018 11.358 1.00 10.00 H new ATOM 0 HD2 PHE A 46 0.696 -2.532 11.644 1.00 10.00 H new ATOM 0 HE1 PHE A 46 5.272 -3.338 9.876 1.00 10.00 H new ATOM 0 HE2 PHE A 46 1.779 -0.841 10.181 1.00 10.00 H new ATOM 0 HZ PHE A 46 4.088 -1.219 9.342 1.00 10.00 H new ATOM 699 N THR A 47 3.003 -2.576 14.525 1.00 10.00 N ATOM 700 CA THR A 47 3.052 -1.160 14.869 1.00 10.00 C ATOM 701 C THR A 47 2.511 -0.304 13.714 1.00 10.00 C ATOM 702 O THR A 47 3.238 0.003 12.772 1.00 10.00 O ATOM 703 CB THR A 47 4.502 -0.806 15.231 1.00 10.00 C ATOM 704 OG1 THR A 47 4.926 -1.653 16.282 1.00 10.00 O ATOM 705 CG2 THR A 47 4.664 0.654 15.664 1.00 10.00 C ATOM 0 H THR A 47 3.926 -2.984 14.376 1.00 10.00 H new ATOM 0 HA THR A 47 2.414 -0.951 15.728 1.00 10.00 H new ATOM 0 HB THR A 47 5.111 -0.946 14.338 1.00 10.00 H new ATOM 0 HG1 THR A 47 5.852 -1.438 16.522 1.00 10.00 H new ATOM 0 HG21 THR A 47 5.709 0.847 15.908 1.00 10.00 H new ATOM 0 HG22 THR A 47 4.353 1.311 14.852 1.00 10.00 H new ATOM 0 HG23 THR A 47 4.046 0.844 16.541 1.00 10.00 H new ATOM 713 N TYR A 48 1.237 0.089 13.799 1.00 10.00 N ATOM 714 CA TYR A 48 0.545 0.905 12.810 1.00 10.00 C ATOM 715 C TYR A 48 0.791 2.391 13.071 1.00 10.00 C ATOM 716 O TYR A 48 1.371 2.753 14.094 1.00 10.00 O ATOM 717 CB TYR A 48 -0.954 0.568 12.844 1.00 10.00 C ATOM 718 CG TYR A 48 -1.589 0.588 14.225 1.00 10.00 C ATOM 719 CD1 TYR A 48 -1.866 1.810 14.870 1.00 10.00 C ATOM 720 CD2 TYR A 48 -1.866 -0.624 14.886 1.00 10.00 C ATOM 721 CE1 TYR A 48 -2.408 1.818 16.167 1.00 10.00 C ATOM 722 CE2 TYR A 48 -2.431 -0.614 16.172 1.00 10.00 C ATOM 723 CZ TYR A 48 -2.698 0.605 16.814 1.00 10.00 C ATOM 724 OH TYR A 48 -3.265 0.606 18.054 1.00 10.00 O ATOM 0 H TYR A 48 0.642 -0.164 14.588 1.00 10.00 H new ATOM 0 HA TYR A 48 0.932 0.685 11.815 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -1.484 1.276 12.207 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -1.098 -0.421 12.409 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -1.661 2.743 14.366 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -1.643 -1.564 14.403 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -2.601 2.756 16.666 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -2.660 -1.546 16.667 1.00 10.00 H new ATOM 0 HH TYR A 48 -3.399 -0.318 18.353 1.00 10.00 H new ATOM 734 N THR A 49 0.323 3.248 12.156 1.00 10.00 N ATOM 735 CA THR A 49 0.423 4.693 12.288 1.00 10.00 C ATOM 736 C THR A 49 -0.942 5.311 12.615 1.00 10.00 C ATOM 737 O THR A 49 -1.985 4.794 12.212 1.00 10.00 O ATOM 738 CB THR A 49 1.000 5.307 11.002 1.00 10.00 C ATOM 739 OG1 THR A 49 0.115 5.171 9.902 1.00 10.00 O ATOM 740 CG2 THR A 49 2.380 4.740 10.657 1.00 10.00 C ATOM 0 H THR A 49 -0.139 2.948 11.298 1.00 10.00 H new ATOM 0 HA THR A 49 1.098 4.914 13.114 1.00 10.00 H new ATOM 0 HB THR A 49 1.121 6.371 11.204 1.00 10.00 H new ATOM 0 HG1 THR A 49 0.518 5.575 9.106 1.00 10.00 H new ATOM 0 HG21 THR A 49 2.746 5.204 9.741 1.00 10.00 H new ATOM 0 HG22 THR A 49 3.073 4.949 11.472 1.00 10.00 H new ATOM 0 HG23 THR A 49 2.305 3.662 10.512 1.00 10.00 H new ATOM 748 N ASP A 50 -0.930 6.447 13.320 1.00 10.00 N ATOM 749 CA ASP A 50 -2.139 7.197 13.643 1.00 10.00 C ATOM 750 C ASP A 50 -2.765 7.750 12.362 1.00 10.00 C ATOM 751 O ASP A 50 -3.962 7.606 12.124 1.00 10.00 O ATOM 752 CB ASP A 50 -1.807 8.320 14.644 1.00 10.00 C ATOM 753 CG ASP A 50 -2.796 8.369 15.803 1.00 10.00 C ATOM 754 OD1 ASP A 50 -3.079 7.288 16.363 1.00 10.00 O ATOM 755 OD2 ASP A 50 -3.240 9.493 16.118 1.00 10.00 O ATOM 0 H ASP A 50 -0.076 6.870 13.682 1.00 10.00 H new ATOM 0 HA ASP A 50 -2.867 6.536 14.113 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -0.800 8.171 15.034 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -1.809 9.279 14.126 1.00 10.00 H new ATOM 760 N ALA A 51 -1.930 8.361 11.515 1.00 10.00 N ATOM 761 CA ALA A 51 -2.332 8.962 10.248 1.00 10.00 C ATOM 762 C ALA A 51 -3.164 8.005 9.386 1.00 10.00 C ATOM 763 O ALA A 51 -4.134 8.410 8.746 1.00 10.00 O ATOM 764 CB ALA A 51 -1.084 9.436 9.497 1.00 10.00 C ATOM 0 H ALA A 51 -0.931 8.451 11.700 1.00 10.00 H new ATOM 0 HA ALA A 51 -2.975 9.815 10.464 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -1.379 9.886 8.549 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -0.555 10.174 10.100 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.429 8.586 9.307 1.00 10.00 H new ATOM 770 N ASN A 52 -2.789 6.727 9.352 1.00 10.00 N ATOM 771 CA ASN A 52 -3.567 5.707 8.662 1.00 10.00 C ATOM 772 C ASN A 52 -4.950 5.551 9.281 1.00 10.00 C ATOM 773 O ASN A 52 -5.955 5.590 8.574 1.00 10.00 O ATOM 774 CB ASN A 52 -2.786 4.405 8.708 1.00 10.00 C ATOM 775 CG ASN A 52 -3.392 3.269 7.890 1.00 10.00 C ATOM 776 OD1 ASN A 52 -4.501 3.372 7.380 1.00 10.00 O ATOM 777 ND2 ASN A 52 -2.687 2.157 7.796 1.00 10.00 N ATOM 0 H ASN A 52 -1.943 6.374 9.800 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.727 6.002 7.625 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -1.773 4.592 8.351 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -2.703 4.083 9.746 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -3.063 1.356 7.289 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -1.766 2.099 8.230 1.00 10.00 H new ATOM 784 N LYS A 53 -5.026 5.423 10.608 1.00 10.00 N ATOM 785 CA LYS A 53 -6.320 5.353 11.271 1.00 10.00 C ATOM 786 C LYS A 53 -7.152 6.593 10.957 1.00 10.00 C ATOM 787 O LYS A 53 -8.353 6.490 10.719 1.00 10.00 O ATOM 788 CB LYS A 53 -6.164 5.159 12.785 1.00 10.00 C ATOM 789 CG LYS A 53 -7.437 4.485 13.329 1.00 10.00 C ATOM 790 CD LYS A 53 -7.893 5.049 14.684 1.00 10.00 C ATOM 791 CE LYS A 53 -7.264 4.338 15.888 1.00 10.00 C ATOM 792 NZ LYS A 53 -7.763 2.953 16.038 1.00 10.00 N ATOM 0 H LYS A 53 -4.220 5.367 11.231 1.00 10.00 H new ATOM 0 HA LYS A 53 -6.849 4.482 10.885 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -5.290 4.544 12.999 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -6.006 6.120 13.275 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -8.242 4.606 12.604 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -7.258 3.415 13.431 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -7.645 6.109 14.729 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -8.978 4.972 14.753 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -6.180 4.322 15.774 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -7.481 4.902 16.795 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -7.520 2.597 16.985 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -8.796 2.941 15.918 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -7.324 2.346 15.317 1.00 10.00 H new ATOM 806 N ASN A 54 -6.496 7.752 10.917 1.00 10.00 N ATOM 807 CA ASN A 54 -7.123 9.013 10.561 1.00 10.00 C ATOM 808 C ASN A 54 -7.758 8.974 9.168 1.00 10.00 C ATOM 809 O ASN A 54 -8.645 9.772 8.883 1.00 10.00 O ATOM 810 CB ASN A 54 -6.095 10.148 10.656 1.00 10.00 C ATOM 811 CG ASN A 54 -6.753 11.439 11.118 1.00 10.00 C ATOM 812 OD1 ASN A 54 -6.940 12.373 10.346 1.00 10.00 O ATOM 813 ND2 ASN A 54 -7.090 11.497 12.403 1.00 10.00 N ATOM 0 H ASN A 54 -5.503 7.837 11.134 1.00 10.00 H new ATOM 0 HA ASN A 54 -7.931 9.194 11.270 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -5.303 9.870 11.351 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -5.626 10.302 9.684 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -7.521 12.341 12.780 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -6.917 10.697 13.012 1.00 10.00 H new ATOM 820 N LYS A 55 -7.313 8.062 8.294 1.00 10.00 N ATOM 821 CA LYS A 55 -7.881 7.907 6.965 1.00 10.00 C ATOM 822 C LYS A 55 -9.303 7.357 7.081 1.00 10.00 C ATOM 823 O LYS A 55 -10.244 7.940 6.553 1.00 10.00 O ATOM 824 CB LYS A 55 -6.970 6.991 6.142 1.00 10.00 C ATOM 825 CG LYS A 55 -7.027 7.323 4.647 1.00 10.00 C ATOM 826 CD LYS A 55 -5.987 6.485 3.890 1.00 10.00 C ATOM 827 CE LYS A 55 -4.653 7.218 3.677 1.00 10.00 C ATOM 828 NZ LYS A 55 -4.054 7.726 4.929 1.00 10.00 N ATOM 0 H LYS A 55 -6.550 7.416 8.496 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.944 8.868 6.454 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -5.944 7.086 6.496 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -7.265 5.953 6.295 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -8.025 7.120 4.258 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -6.834 8.385 4.493 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -5.803 5.563 4.441 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -6.396 6.200 2.921 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -3.948 6.541 3.195 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -4.811 8.053 2.994 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -3.134 8.164 4.721 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -4.686 8.434 5.354 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -3.920 6.938 5.594 1.00 10.00 H new ATOM 842 N GLY A 56 -9.446 6.227 7.777 1.00 10.00 N ATOM 843 CA GLY A 56 -10.733 5.612 8.062 1.00 10.00 C ATOM 844 C GLY A 56 -11.496 5.200 6.797 1.00 10.00 C ATOM 845 O GLY A 56 -12.688 5.478 6.683 1.00 10.00 O ATOM 0 H GLY A 56 -8.655 5.710 8.162 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -10.578 4.733 8.688 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.343 6.309 8.636 1.00 10.00 H new ATOM 849 N ILE A 57 -10.825 4.521 5.860 1.00 10.00 N ATOM 850 CA ILE A 57 -11.397 4.084 4.584 1.00 10.00 C ATOM 851 C ILE A 57 -11.301 2.569 4.398 1.00 10.00 C ATOM 852 O ILE A 57 -10.953 1.845 5.331 1.00 10.00 O ATOM 853 CB ILE A 57 -10.800 4.907 3.417 1.00 10.00 C ATOM 854 CG1 ILE A 57 -9.269 4.840 3.291 1.00 10.00 C ATOM 855 CG2 ILE A 57 -11.226 6.369 3.574 1.00 10.00 C ATOM 856 CD1 ILE A 57 -8.744 3.616 2.531 1.00 10.00 C ATOM 0 H ILE A 57 -9.847 4.255 5.972 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.468 4.289 4.590 1.00 10.00 H new ATOM 0 HB ILE A 57 -11.191 4.459 2.503 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -8.919 5.741 2.788 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -8.835 4.844 4.291 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -10.811 6.959 2.757 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -12.314 6.435 3.553 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -10.857 6.755 4.524 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -7.655 3.652 2.491 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -9.059 2.707 3.044 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -9.144 3.618 1.517 1.00 10.00 H new ATOM 868 N THR A 58 -11.647 2.097 3.194 1.00 10.00 N ATOM 869 CA THR A 58 -11.547 0.713 2.768 1.00 10.00 C ATOM 870 C THR A 58 -10.591 0.660 1.575 1.00 10.00 C ATOM 871 O THR A 58 -10.725 1.426 0.617 1.00 10.00 O ATOM 872 CB THR A 58 -12.946 0.179 2.423 1.00 10.00 C ATOM 873 OG1 THR A 58 -13.650 1.081 1.589 1.00 10.00 O ATOM 874 CG2 THR A 58 -13.757 -0.029 3.704 1.00 10.00 C ATOM 0 H THR A 58 -12.020 2.704 2.464 1.00 10.00 H new ATOM 0 HA THR A 58 -11.152 0.077 3.560 1.00 10.00 H new ATOM 0 HB THR A 58 -12.816 -0.767 1.897 1.00 10.00 H new ATOM 0 HG1 THR A 58 -13.014 1.571 1.027 1.00 10.00 H new ATOM 0 HG21 THR A 58 -14.747 -0.408 3.450 1.00 10.00 H new ATOM 0 HG22 THR A 58 -13.247 -0.748 4.345 1.00 10.00 H new ATOM 0 HG23 THR A 58 -13.855 0.920 4.230 1.00 10.00 H new ATOM 882 N TRP A 59 -9.581 -0.201 1.651 1.00 10.00 N ATOM 883 CA TRP A 59 -8.593 -0.315 0.595 1.00 10.00 C ATOM 884 C TRP A 59 -9.159 -1.142 -0.555 1.00 10.00 C ATOM 885 O TRP A 59 -9.584 -2.272 -0.327 1.00 10.00 O ATOM 886 CB TRP A 59 -7.341 -0.952 1.169 1.00 10.00 C ATOM 887 CG TRP A 59 -6.652 -0.141 2.212 1.00 10.00 C ATOM 888 CD1 TRP A 59 -6.534 -0.468 3.516 1.00 10.00 C ATOM 889 CD2 TRP A 59 -5.979 1.137 2.047 1.00 10.00 C ATOM 890 NE1 TRP A 59 -5.772 0.496 4.153 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.423 1.522 3.299 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.792 2.018 0.962 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -4.699 2.714 3.463 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -5.067 3.210 1.109 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.499 3.548 2.350 1.00 10.00 C ATOM 0 H TRP A 59 -9.429 -0.831 2.439 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.340 0.670 0.202 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.605 -1.919 1.596 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.641 -1.143 0.355 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -6.964 -1.340 3.986 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.501 0.453 5.135 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -6.215 1.770 -0.000 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.302 2.986 4.430 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.944 3.872 0.264 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -3.910 4.448 2.448 1.00 10.00 H new ATOM 906 N LYS A 60 -9.204 -0.583 -1.773 1.00 10.00 N ATOM 907 CA LYS A 60 -9.900 -1.242 -2.876 1.00 10.00 C ATOM 908 C LYS A 60 -9.501 -0.701 -4.258 1.00 10.00 C ATOM 909 O LYS A 60 -10.365 -0.465 -5.095 1.00 10.00 O ATOM 910 CB LYS A 60 -11.415 -1.132 -2.627 1.00 10.00 C ATOM 911 CG LYS A 60 -11.898 0.326 -2.629 1.00 10.00 C ATOM 912 CD LYS A 60 -13.342 0.407 -2.138 1.00 10.00 C ATOM 913 CE LYS A 60 -13.887 1.820 -2.391 1.00 10.00 C ATOM 914 NZ LYS A 60 -15.325 1.792 -2.707 1.00 10.00 N ATOM 0 H LYS A 60 -8.773 0.310 -2.013 1.00 10.00 H new ATOM 0 HA LYS A 60 -9.602 -2.290 -2.897 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -11.949 -1.691 -3.395 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -11.659 -1.593 -1.670 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -11.255 0.930 -1.989 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.825 0.739 -3.635 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -13.956 -0.330 -2.656 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -13.390 0.171 -1.075 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -13.718 2.440 -1.510 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -13.341 2.280 -3.214 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -15.663 2.762 -2.873 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -15.482 1.220 -3.561 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -15.847 1.375 -1.910 1.00 10.00 H new ATOM 928 N GLU A 61 -8.203 -0.513 -4.519 1.00 10.00 N ATOM 929 CA GLU A 61 -7.691 0.139 -5.728 1.00 10.00 C ATOM 930 C GLU A 61 -8.093 1.610 -5.759 1.00 10.00 C ATOM 931 O GLU A 61 -7.214 2.444 -5.611 1.00 10.00 O ATOM 932 CB GLU A 61 -8.001 -0.629 -7.026 1.00 10.00 C ATOM 933 CG GLU A 61 -7.720 0.192 -8.304 1.00 10.00 C ATOM 934 CD GLU A 61 -8.971 0.798 -8.922 1.00 10.00 C ATOM 935 OE1 GLU A 61 -9.914 0.012 -9.155 1.00 10.00 O ATOM 936 OE2 GLU A 61 -8.938 2.019 -9.179 1.00 10.00 O ATOM 0 H GLU A 61 -7.465 -0.816 -3.883 1.00 10.00 H new ATOM 0 HA GLU A 61 -6.603 0.111 -5.676 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -7.406 -1.542 -7.051 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -9.048 -0.931 -7.020 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -7.018 0.991 -8.066 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -7.235 -0.450 -9.040 1.00 10.00 H new ATOM 943 N GLU A 62 -9.375 1.947 -5.896 1.00 10.00 N ATOM 944 CA GLU A 62 -9.847 3.326 -6.011 1.00 10.00 C ATOM 945 C GLU A 62 -9.237 4.244 -4.943 1.00 10.00 C ATOM 946 O GLU A 62 -8.972 5.417 -5.197 1.00 10.00 O ATOM 947 CB GLU A 62 -11.376 3.341 -5.891 1.00 10.00 C ATOM 948 CG GLU A 62 -12.082 2.632 -7.059 1.00 10.00 C ATOM 949 CD GLU A 62 -13.462 2.097 -6.669 1.00 10.00 C ATOM 950 OE1 GLU A 62 -13.591 1.547 -5.549 1.00 10.00 O ATOM 951 OE2 GLU A 62 -14.392 2.280 -7.481 1.00 10.00 O ATOM 0 H GLU A 62 -10.127 1.258 -5.931 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.532 3.708 -6.982 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.665 2.862 -4.955 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.720 4.374 -5.840 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -12.187 3.327 -7.892 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -11.461 1.807 -7.408 1.00 10.00 H new ATOM 958 N THR A 63 -9.029 3.715 -3.737 1.00 10.00 N ATOM 959 CA THR A 63 -8.415 4.417 -2.630 1.00 10.00 C ATOM 960 C THR A 63 -6.890 4.426 -2.770 1.00 10.00 C ATOM 961 O THR A 63 -6.275 5.492 -2.851 1.00 10.00 O ATOM 962 CB THR A 63 -8.907 3.756 -1.336 1.00 10.00 C ATOM 963 OG1 THR A 63 -9.042 2.347 -1.494 1.00 10.00 O ATOM 964 CG2 THR A 63 -10.288 4.328 -1.001 1.00 10.00 C ATOM 0 H THR A 63 -9.294 2.758 -3.505 1.00 10.00 H new ATOM 0 HA THR A 63 -8.705 5.468 -2.615 1.00 10.00 H new ATOM 0 HB THR A 63 -8.182 3.955 -0.547 1.00 10.00 H new ATOM 0 HG1 THR A 63 -9.678 2.003 -0.832 1.00 10.00 H new ATOM 0 HG21 THR A 63 -10.658 3.871 -0.083 1.00 10.00 H new ATOM 0 HG22 THR A 63 -10.212 5.407 -0.865 1.00 10.00 H new ATOM 0 HG23 THR A 63 -10.978 4.113 -1.817 1.00 10.00 H new ATOM 972 N LEU A 64 -6.262 3.242 -2.810 1.00 10.00 N ATOM 973 CA LEU A 64 -4.808 3.173 -2.935 1.00 10.00 C ATOM 974 C LEU A 64 -4.296 3.987 -4.128 1.00 10.00 C ATOM 975 O LEU A 64 -3.227 4.581 -4.039 1.00 10.00 O ATOM 976 CB LEU A 64 -4.195 1.757 -2.910 1.00 10.00 C ATOM 977 CG LEU A 64 -5.029 0.513 -3.198 1.00 10.00 C ATOM 978 CD1 LEU A 64 -4.088 -0.574 -3.728 1.00 10.00 C ATOM 979 CD2 LEU A 64 -5.823 0.003 -1.995 1.00 10.00 C ATOM 0 H LEU A 64 -6.731 2.338 -2.758 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.449 3.634 -2.015 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -3.373 1.757 -3.625 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -3.757 1.621 -1.921 1.00 10.00 H new ATOM 0 HG LEU A 64 -5.783 0.780 -3.938 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -4.660 -1.477 -3.943 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -3.606 -0.224 -4.641 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -3.328 -0.795 -2.978 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -6.389 -0.883 -2.282 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -5.137 -0.251 -1.187 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -6.510 0.779 -1.657 1.00 10.00 H new ATOM 991 N MET A 65 -5.063 4.053 -5.217 1.00 10.00 N ATOM 992 CA MET A 65 -4.783 4.828 -6.412 1.00 10.00 C ATOM 993 C MET A 65 -4.200 6.197 -6.087 1.00 10.00 C ATOM 994 O MET A 65 -3.232 6.584 -6.742 1.00 10.00 O ATOM 995 CB MET A 65 -6.054 4.990 -7.257 1.00 10.00 C ATOM 996 CG MET A 65 -6.250 3.844 -8.255 1.00 10.00 C ATOM 997 SD MET A 65 -5.407 4.056 -9.845 1.00 10.00 S ATOM 998 CE MET A 65 -5.933 2.563 -10.714 1.00 10.00 C ATOM 0 H MET A 65 -5.941 3.538 -5.286 1.00 10.00 H new ATOM 0 HA MET A 65 -4.035 4.277 -6.982 1.00 10.00 H new ATOM 0 HB2 MET A 65 -6.920 5.044 -6.597 1.00 10.00 H new ATOM 0 HB3 MET A 65 -6.007 5.935 -7.799 1.00 10.00 H new ATOM 0 HG2 MET A 65 -5.900 2.919 -7.796 1.00 10.00 H new ATOM 0 HG3 MET A 65 -7.317 3.723 -8.441 1.00 10.00 H new ATOM 0 HE1 MET A 65 -5.480 2.540 -11.705 1.00 10.00 H new ATOM 0 HE2 MET A 65 -5.618 1.684 -10.151 1.00 10.00 H new ATOM 0 HE3 MET A 65 -7.019 2.562 -10.811 1.00 10.00 H new ATOM 1008 N GLU A 66 -4.762 6.940 -5.124 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.142 8.216 -4.781 1.00 10.00 C ATOM 1010 C GLU A 66 -2.915 7.953 -3.915 1.00 10.00 C ATOM 1011 O GLU A 66 -1.852 8.483 -4.194 1.00 10.00 O ATOM 1012 CB GLU A 66 -5.111 9.242 -4.159 1.00 10.00 C ATOM 1013 CG GLU A 66 -5.440 10.389 -5.141 1.00 10.00 C ATOM 1014 CD GLU A 66 -5.713 11.725 -4.461 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -4.968 12.116 -3.540 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -6.595 12.479 -4.922 1.00 10.00 O ATOM 0 H GLU A 66 -5.600 6.694 -4.596 1.00 10.00 H new ATOM 0 HA GLU A 66 -3.829 8.696 -5.708 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.033 8.740 -3.865 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -4.670 9.655 -3.252 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -4.609 10.509 -5.835 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -6.312 10.109 -5.733 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.022 7.116 -2.886 1.00 10.00 N ATOM 1024 CA TYR A 67 -1.936 6.881 -1.941 1.00 10.00 C ATOM 1025 C TYR A 67 -0.611 6.541 -2.652 1.00 10.00 C ATOM 1026 O TYR A 67 0.436 7.088 -2.305 1.00 10.00 O ATOM 1027 CB TYR A 67 -2.388 5.807 -0.935 1.00 10.00 C ATOM 1028 CG TYR A 67 -1.680 5.787 0.416 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -1.591 6.967 1.182 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.309 4.560 1.006 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -1.111 6.926 2.501 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -0.876 4.518 2.347 1.00 10.00 C ATOM 1033 CZ TYR A 67 -0.777 5.701 3.098 1.00 10.00 C ATOM 1034 OH TYR A 67 -0.296 5.705 4.375 1.00 10.00 O ATOM 0 H TYR A 67 -3.867 6.581 -2.684 1.00 10.00 H new ATOM 0 HA TYR A 67 -1.720 7.796 -1.390 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -3.456 5.937 -0.757 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.259 4.830 -1.401 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -1.894 7.910 0.751 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.357 3.649 0.428 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -0.998 7.843 3.060 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -0.619 3.571 2.799 1.00 10.00 H new ATOM 0 HH TYR A 67 -0.109 4.785 4.657 1.00 10.00 H new ATOM 1044 N LEU A 68 -0.661 5.683 -3.678 1.00 10.00 N ATOM 1045 CA LEU A 68 0.508 5.263 -4.454 1.00 10.00 C ATOM 1046 C LEU A 68 1.027 6.344 -5.417 1.00 10.00 C ATOM 1047 O LEU A 68 2.117 6.190 -5.973 1.00 10.00 O ATOM 1048 CB LEU A 68 0.199 3.990 -5.257 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.425 2.833 -4.466 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -0.488 1.588 -5.357 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.298 2.541 -3.151 1.00 10.00 C ATOM 0 H LEU A 68 -1.530 5.255 -3.996 1.00 10.00 H new ATOM 0 HA LEU A 68 1.292 5.072 -3.721 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.476 4.253 -6.072 1.00 10.00 H new ATOM 0 HB3 LEU A 68 1.125 3.636 -5.711 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.433 3.133 -4.181 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.931 0.763 -4.799 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -1.097 1.800 -6.236 1.00 10.00 H new ATOM 0 HD13 LEU A 68 0.519 1.314 -5.671 1.00 10.00 H new ATOM 0 HD21 LEU A 68 -0.194 1.712 -2.642 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.335 2.276 -3.357 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.269 3.426 -2.516 1.00 10.00 H new ATOM 1063 N GLU A 69 0.253 7.410 -5.644 1.00 10.00 N ATOM 1064 CA GLU A 69 0.632 8.535 -6.491 1.00 10.00 C ATOM 1065 C GLU A 69 0.301 9.878 -5.842 1.00 10.00 C ATOM 1066 O GLU A 69 0.005 10.861 -6.515 1.00 10.00 O ATOM 1067 CB GLU A 69 0.046 8.365 -7.904 1.00 10.00 C ATOM 1068 CG GLU A 69 1.080 7.793 -8.890 1.00 10.00 C ATOM 1069 CD GLU A 69 0.989 8.447 -10.257 1.00 10.00 C ATOM 1070 OE1 GLU A 69 1.201 9.675 -10.323 1.00 10.00 O ATOM 1071 OE2 GLU A 69 0.603 7.712 -11.196 1.00 10.00 O ATOM 0 H GLU A 69 -0.675 7.513 -5.233 1.00 10.00 H new ATOM 0 HA GLU A 69 1.716 8.539 -6.602 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -0.819 7.703 -7.861 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -0.308 9.329 -8.268 1.00 10.00 H new ATOM 0 HG2 GLU A 69 2.082 7.936 -8.486 1.00 10.00 H new ATOM 0 HG3 GLU A 69 0.927 6.719 -8.992 1.00 10.00 H new ATOM 1078 N ASN A 70 0.388 9.928 -4.514 1.00 10.00 N ATOM 1079 CA ASN A 70 0.062 11.104 -3.724 1.00 10.00 C ATOM 1080 C ASN A 70 0.272 10.770 -2.244 1.00 10.00 C ATOM 1081 O ASN A 70 -0.635 10.912 -1.421 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.370 11.588 -4.065 1.00 10.00 C ATOM 1083 CG ASN A 70 -1.374 12.877 -4.883 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -0.559 13.771 -4.668 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -2.320 13.005 -5.810 1.00 10.00 N ATOM 0 H ASN A 70 0.693 9.135 -3.950 1.00 10.00 H new ATOM 0 HA ASN A 70 0.720 11.940 -3.961 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -1.891 10.808 -4.620 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -1.926 11.747 -3.141 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -2.381 13.861 -6.362 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -2.984 12.248 -5.969 1.00 10.00 H new ATOM 1092 N PRO A 71 1.489 10.340 -1.864 1.00 10.00 N ATOM 1093 CA PRO A 71 1.752 9.921 -0.503 1.00 10.00 C ATOM 1094 C PRO A 71 1.764 11.088 0.473 1.00 10.00 C ATOM 1095 O PRO A 71 1.688 10.847 1.676 1.00 10.00 O ATOM 1096 CB PRO A 71 3.107 9.208 -0.538 1.00 10.00 C ATOM 1097 CG PRO A 71 3.825 9.904 -1.694 1.00 10.00 C ATOM 1098 CD PRO A 71 2.687 10.182 -2.679 1.00 10.00 C ATOM 0 HA PRO A 71 0.960 9.263 -0.145 1.00 10.00 H new ATOM 0 HB2 PRO A 71 3.648 9.321 0.401 1.00 10.00 H new ATOM 0 HB3 PRO A 71 2.997 8.138 -0.715 1.00 10.00 H new ATOM 0 HG2 PRO A 71 4.315 10.823 -1.372 1.00 10.00 H new ATOM 0 HG3 PRO A 71 4.595 9.269 -2.133 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.885 11.081 -3.262 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.573 9.361 -3.387 1.00 10.00 H new ATOM 1106 N LYS A 72 1.855 12.326 -0.026 1.00 10.00 N ATOM 1107 CA LYS A 72 1.732 13.515 0.794 1.00 10.00 C ATOM 1108 C LYS A 72 0.515 14.348 0.390 1.00 10.00 C ATOM 1109 O LYS A 72 0.624 15.557 0.203 1.00 10.00 O ATOM 1110 CB LYS A 72 3.034 14.335 0.779 1.00 10.00 C ATOM 1111 CG LYS A 72 3.532 14.868 -0.586 1.00 10.00 C ATOM 1112 CD LYS A 72 4.236 13.815 -1.464 1.00 10.00 C ATOM 1113 CE LYS A 72 5.375 14.400 -2.327 1.00 10.00 C ATOM 1114 NZ LYS A 72 5.065 14.390 -3.773 1.00 10.00 N ATOM 0 H LYS A 72 2.017 12.522 -1.014 1.00 10.00 H new ATOM 0 HA LYS A 72 1.566 13.199 1.824 1.00 10.00 H new ATOM 0 HB2 LYS A 72 2.901 15.188 1.444 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.824 13.718 1.207 1.00 10.00 H new ATOM 0 HG2 LYS A 72 2.682 15.272 -1.136 1.00 10.00 H new ATOM 0 HG3 LYS A 72 4.220 15.695 -0.410 1.00 10.00 H new ATOM 0 HD2 LYS A 72 4.641 13.031 -0.824 1.00 10.00 H new ATOM 0 HD3 LYS A 72 3.500 13.346 -2.117 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.575 15.424 -2.010 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.287 13.829 -2.152 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 5.864 14.794 -4.302 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 4.901 13.412 -4.086 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 4.211 14.957 -3.949 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.643 13.699 0.251 1.00 10.00 N ATOM 1129 CA LYS A 73 -1.890 14.375 -0.088 1.00 10.00 C ATOM 1130 C LYS A 73 -2.988 13.964 0.887 1.00 10.00 C ATOM 1131 O LYS A 73 -3.570 14.817 1.549 1.00 10.00 O ATOM 1132 CB LYS A 73 -2.279 14.064 -1.539 1.00 10.00 C ATOM 1133 CG LYS A 73 -2.502 15.334 -2.373 1.00 10.00 C ATOM 1134 CD LYS A 73 -3.527 15.075 -3.482 1.00 10.00 C ATOM 1135 CE LYS A 73 -4.956 15.336 -2.991 1.00 10.00 C ATOM 1136 NZ LYS A 73 -5.959 14.797 -3.931 1.00 10.00 N ATOM 0 H LYS A 73 -0.739 12.691 0.371 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.753 15.453 -0.003 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -1.496 13.463 -2.001 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -3.189 13.463 -1.547 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -2.850 16.142 -1.730 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -1.558 15.659 -2.811 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -3.311 15.716 -4.337 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -3.441 14.044 -3.826 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -5.094 14.881 -2.010 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -5.110 16.408 -2.869 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -6.856 15.311 -3.814 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -5.618 14.913 -4.907 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -6.111 13.787 -3.735 1.00 10.00 H new ATOM 1150 N TYR A 74 -3.257 12.656 0.980 1.00 10.00 N ATOM 1151 CA TYR A 74 -4.269 12.121 1.883 1.00 10.00 C ATOM 1152 C TYR A 74 -4.113 12.676 3.298 1.00 10.00 C ATOM 1153 O TYR A 74 -5.101 13.043 3.928 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.201 10.588 1.915 1.00 10.00 C ATOM 1155 CG TYR A 74 -5.167 9.899 0.972 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -6.545 9.928 1.255 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -4.696 9.157 -0.126 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -7.453 9.250 0.424 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -5.601 8.423 -0.911 1.00 10.00 C ATOM 1160 CZ TYR A 74 -6.980 8.507 -0.669 1.00 10.00 C ATOM 1161 OH TYR A 74 -7.854 7.871 -1.498 1.00 10.00 O ATOM 0 H TYR A 74 -2.777 11.944 0.430 1.00 10.00 H new ATOM 0 HA TYR A 74 -5.242 12.432 1.504 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.186 10.276 1.668 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.400 10.249 2.932 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -6.906 10.473 2.114 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -3.643 9.151 -0.365 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -8.513 9.300 0.626 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -5.233 7.791 -1.705 1.00 10.00 H new ATOM 0 HH TYR A 74 -7.400 7.123 -1.940 1.00 10.00 H new ATOM 1171 N ILE A 75 -2.879 12.694 3.807 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.578 13.209 5.132 1.00 10.00 C ATOM 1173 C ILE A 75 -1.086 13.551 5.198 1.00 10.00 C ATOM 1174 O ILE A 75 -0.265 12.673 4.941 1.00 10.00 O ATOM 1175 CB ILE A 75 -3.016 12.192 6.206 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -2.714 12.747 7.608 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -2.407 10.791 6.020 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -3.674 12.169 8.647 1.00 10.00 C ATOM 0 H ILE A 75 -2.061 12.349 3.304 1.00 10.00 H new ATOM 0 HA ILE A 75 -3.136 14.124 5.332 1.00 10.00 H new ATOM 0 HB ILE A 75 -4.091 12.057 6.090 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -1.687 12.507 7.884 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -2.796 13.834 7.598 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -2.761 10.132 6.813 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -2.708 10.389 5.053 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -1.320 10.858 6.063 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -3.437 12.579 9.629 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -4.698 12.431 8.382 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -3.572 11.084 8.673 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.692 14.798 5.497 1.00 10.00 N ATOM 1191 CA PRO A 76 0.712 15.178 5.542 1.00 10.00 C ATOM 1192 C PRO A 76 1.382 14.675 6.832 1.00 10.00 C ATOM 1193 O PRO A 76 1.778 15.462 7.688 1.00 10.00 O ATOM 1194 CB PRO A 76 0.715 16.704 5.389 1.00 10.00 C ATOM 1195 CG PRO A 76 -0.625 17.128 5.990 1.00 10.00 C ATOM 1196 CD PRO A 76 -1.552 15.962 5.647 1.00 10.00 C ATOM 0 HA PRO A 76 1.303 14.722 4.748 1.00 10.00 H new ATOM 0 HB2 PRO A 76 1.553 17.158 5.917 1.00 10.00 H new ATOM 0 HB3 PRO A 76 0.798 17.002 4.344 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -0.552 17.280 7.067 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -0.980 18.064 5.559 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -2.289 15.804 6.435 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -2.105 16.160 4.729 1.00 10.00 H new ATOM 1204 N GLY A 77 1.539 13.353 6.954 1.00 10.00 N ATOM 1205 CA GLY A 77 2.312 12.714 8.016 1.00 10.00 C ATOM 1206 C GLY A 77 2.462 11.222 7.718 1.00 10.00 C ATOM 1207 O GLY A 77 2.084 10.390 8.538 1.00 10.00 O ATOM 0 H GLY A 77 1.123 12.687 6.303 1.00 10.00 H new ATOM 0 HA2 GLY A 77 3.294 13.180 8.094 1.00 10.00 H new ATOM 0 HA3 GLY A 77 1.815 12.855 8.976 1.00 10.00 H new ATOM 1211 N THR A 78 2.983 10.884 6.531 1.00 10.00 N ATOM 1212 CA THR A 78 3.202 9.501 6.119 1.00 10.00 C ATOM 1213 C THR A 78 4.684 9.131 6.278 1.00 10.00 C ATOM 1214 O THR A 78 5.172 8.963 7.390 1.00 10.00 O ATOM 1215 CB THR A 78 2.635 9.271 4.700 1.00 10.00 C ATOM 1216 OG1 THR A 78 3.358 9.987 3.710 1.00 10.00 O ATOM 1217 CG2 THR A 78 1.167 9.678 4.613 1.00 10.00 C ATOM 0 H THR A 78 3.264 11.569 5.830 1.00 10.00 H new ATOM 0 HA THR A 78 2.654 8.819 6.770 1.00 10.00 H new ATOM 0 HB THR A 78 2.735 8.202 4.510 1.00 10.00 H new ATOM 0 HG1 THR A 78 2.745 10.278 3.003 1.00 10.00 H new ATOM 0 HG21 THR A 78 0.800 9.503 3.602 1.00 10.00 H new ATOM 0 HG22 THR A 78 0.583 9.086 5.318 1.00 10.00 H new ATOM 0 HG23 THR A 78 1.068 10.736 4.857 1.00 10.00 H new ATOM 1225 N LYS A 79 5.380 8.968 5.154 1.00 10.00 N ATOM 1226 CA LYS A 79 6.805 8.689 5.047 1.00 10.00 C ATOM 1227 C LYS A 79 7.431 9.474 3.880 1.00 10.00 C ATOM 1228 O LYS A 79 8.622 9.763 3.913 1.00 10.00 O ATOM 1229 CB LYS A 79 7.064 7.172 4.964 1.00 10.00 C ATOM 1230 CG LYS A 79 6.485 6.452 3.734 1.00 10.00 C ATOM 1231 CD LYS A 79 5.044 5.954 3.922 1.00 10.00 C ATOM 1232 CE LYS A 79 4.938 4.695 4.801 1.00 10.00 C ATOM 1233 NZ LYS A 79 4.138 4.912 6.026 1.00 10.00 N ATOM 0 H LYS A 79 4.933 9.032 4.239 1.00 10.00 H new ATOM 0 HA LYS A 79 7.301 9.036 5.953 1.00 10.00 H new ATOM 0 HB2 LYS A 79 8.141 7.007 4.983 1.00 10.00 H new ATOM 0 HB3 LYS A 79 6.654 6.705 5.859 1.00 10.00 H new ATOM 0 HG2 LYS A 79 6.516 7.130 2.881 1.00 10.00 H new ATOM 0 HG3 LYS A 79 7.123 5.603 3.489 1.00 10.00 H new ATOM 0 HD2 LYS A 79 4.448 6.750 4.369 1.00 10.00 H new ATOM 0 HD3 LYS A 79 4.611 5.742 2.944 1.00 10.00 H new ATOM 0 HE2 LYS A 79 4.491 3.889 4.219 1.00 10.00 H new ATOM 0 HE3 LYS A 79 5.940 4.368 5.081 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 4.102 4.031 6.577 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 4.576 5.661 6.599 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 3.173 5.197 5.764 1.00 10.00 H new ATOM 1247 N MET A 80 6.628 9.817 2.860 1.00 10.00 N ATOM 1248 CA MET A 80 6.988 10.667 1.732 1.00 10.00 C ATOM 1249 C MET A 80 8.286 10.238 1.048 1.00 10.00 C ATOM 1250 O MET A 80 9.283 10.946 1.131 1.00 10.00 O ATOM 1251 CB MET A 80 7.052 12.144 2.161 1.00 10.00 C ATOM 1252 CG MET A 80 6.934 13.048 0.922 1.00 10.00 C ATOM 1253 SD MET A 80 7.999 14.504 0.758 1.00 10.00 S ATOM 1254 CE MET A 80 9.613 13.760 0.442 1.00 10.00 C ATOM 0 H MET A 80 5.664 9.489 2.804 1.00 10.00 H new ATOM 0 HA MET A 80 6.198 10.550 0.990 1.00 10.00 H new ATOM 0 HB2 MET A 80 6.247 12.364 2.862 1.00 10.00 H new ATOM 0 HB3 MET A 80 7.990 12.342 2.680 1.00 10.00 H new ATOM 0 HG2 MET A 80 7.104 12.422 0.046 1.00 10.00 H new ATOM 0 HG3 MET A 80 5.902 13.394 0.870 1.00 10.00 H new ATOM 0 HE1 MET A 80 10.306 14.527 0.096 1.00 10.00 H new ATOM 0 HE2 MET A 80 9.994 13.314 1.361 1.00 10.00 H new ATOM 0 HE3 MET A 80 9.515 12.989 -0.322 1.00 10.00 H new ATOM 1264 N ILE A 81 8.279 9.111 0.330 1.00 10.00 N ATOM 1265 CA ILE A 81 9.518 8.626 -0.266 1.00 10.00 C ATOM 1266 C ILE A 81 9.834 9.200 -1.646 1.00 10.00 C ATOM 1267 O ILE A 81 11.004 9.337 -1.995 1.00 10.00 O ATOM 1268 CB ILE A 81 9.606 7.087 -0.262 1.00 10.00 C ATOM 1269 CG1 ILE A 81 8.332 6.426 -0.819 1.00 10.00 C ATOM 1270 CG2 ILE A 81 9.908 6.558 1.145 1.00 10.00 C ATOM 1271 CD1 ILE A 81 8.658 5.160 -1.617 1.00 10.00 C ATOM 0 H ILE A 81 7.455 8.536 0.153 1.00 10.00 H new ATOM 0 HA ILE A 81 10.299 9.012 0.389 1.00 10.00 H new ATOM 0 HB ILE A 81 10.429 6.819 -0.924 1.00 10.00 H new ATOM 0 HG12 ILE A 81 7.661 6.176 0.003 1.00 10.00 H new ATOM 0 HG13 ILE A 81 7.803 7.134 -1.458 1.00 10.00 H new ATOM 0 HG21 ILE A 81 9.965 5.470 1.120 1.00 10.00 H new ATOM 0 HG22 ILE A 81 10.859 6.963 1.490 1.00 10.00 H new ATOM 0 HG23 ILE A 81 9.115 6.864 1.827 1.00 10.00 H new ATOM 0 HD11 ILE A 81 7.735 4.720 -1.995 1.00 10.00 H new ATOM 0 HD12 ILE A 81 9.308 5.415 -2.454 1.00 10.00 H new ATOM 0 HD13 ILE A 81 9.164 4.443 -0.971 1.00 10.00 H new ATOM 1283 N PHE A 82 8.819 9.512 -2.450 1.00 10.00 N ATOM 1284 CA PHE A 82 9.009 10.004 -3.806 1.00 10.00 C ATOM 1285 C PHE A 82 7.702 10.621 -4.292 1.00 10.00 C ATOM 1286 O PHE A 82 6.772 10.796 -3.502 1.00 10.00 O ATOM 1287 CB PHE A 82 9.548 8.897 -4.741 1.00 10.00 C ATOM 1288 CG PHE A 82 8.600 7.806 -5.226 1.00 10.00 C ATOM 1289 CD1 PHE A 82 7.503 7.367 -4.456 1.00 10.00 C ATOM 1290 CD2 PHE A 82 8.901 7.141 -6.431 1.00 10.00 C ATOM 1291 CE1 PHE A 82 6.749 6.252 -4.864 1.00 10.00 C ATOM 1292 CE2 PHE A 82 8.137 6.037 -6.846 1.00 10.00 C ATOM 1293 CZ PHE A 82 7.069 5.583 -6.056 1.00 10.00 C ATOM 0 H PHE A 82 7.840 9.429 -2.175 1.00 10.00 H new ATOM 0 HA PHE A 82 9.773 10.781 -3.816 1.00 10.00 H new ATOM 0 HB2 PHE A 82 9.964 9.386 -5.622 1.00 10.00 H new ATOM 0 HB3 PHE A 82 10.376 8.408 -4.227 1.00 10.00 H new ATOM 0 HD1 PHE A 82 7.241 7.890 -3.548 1.00 10.00 H new ATOM 0 HD2 PHE A 82 9.725 7.482 -7.040 1.00 10.00 H new ATOM 0 HE1 PHE A 82 5.922 5.910 -4.259 1.00 10.00 H new ATOM 0 HE2 PHE A 82 8.372 5.537 -7.774 1.00 10.00 H new ATOM 0 HZ PHE A 82 6.495 4.722 -6.364 1.00 10.00 H new ATOM 1303 N ALA A 83 7.628 10.944 -5.585 1.00 10.00 N ATOM 1304 CA ALA A 83 6.393 11.381 -6.209 1.00 10.00 C ATOM 1305 C ALA A 83 5.333 10.291 -6.078 1.00 10.00 C ATOM 1306 O ALA A 83 4.303 10.514 -5.442 1.00 10.00 O ATOM 1307 CB ALA A 83 6.647 11.744 -7.674 1.00 10.00 C ATOM 0 H ALA A 83 8.424 10.908 -6.221 1.00 10.00 H new ATOM 0 HA ALA A 83 6.023 12.273 -5.703 1.00 10.00 H new ATOM 0 HB1 ALA A 83 5.715 12.071 -8.135 1.00 10.00 H new ATOM 0 HB2 ALA A 83 7.380 12.549 -7.728 1.00 10.00 H new ATOM 0 HB3 ALA A 83 7.027 10.871 -8.204 1.00 10.00 H new ATOM 1313 N GLY A 84 5.582 9.127 -6.682 1.00 10.00 N ATOM 1314 CA GLY A 84 4.579 8.093 -6.806 1.00 10.00 C ATOM 1315 C GLY A 84 4.923 7.137 -7.939 1.00 10.00 C ATOM 1316 O GLY A 84 5.988 7.256 -8.545 1.00 10.00 O ATOM 0 H GLY A 84 6.483 8.885 -7.094 1.00 10.00 H new ATOM 0 HA2 GLY A 84 4.502 7.541 -5.869 1.00 10.00 H new ATOM 0 HA3 GLY A 84 3.605 8.546 -6.990 1.00 10.00 H new ATOM 1320 N ILE A 85 4.015 6.200 -8.234 1.00 10.00 N ATOM 1321 CA ILE A 85 4.122 5.337 -9.394 1.00 10.00 C ATOM 1322 C ILE A 85 4.263 6.151 -10.681 1.00 10.00 C ATOM 1323 O ILE A 85 3.945 7.334 -10.740 1.00 10.00 O ATOM 1324 CB ILE A 85 2.934 4.351 -9.408 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.339 3.018 -8.778 1.00 10.00 C ATOM 1326 CG2 ILE A 85 2.254 4.120 -10.767 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.436 2.270 -9.540 1.00 10.00 C ATOM 0 H ILE A 85 3.185 6.026 -7.667 1.00 10.00 H new ATOM 0 HA ILE A 85 5.034 4.743 -9.333 1.00 10.00 H new ATOM 0 HB ILE A 85 2.169 4.846 -8.810 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.680 3.200 -7.759 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.459 2.379 -8.711 1.00 10.00 H new ATOM 0 HG21 ILE A 85 1.436 3.409 -10.648 1.00 10.00 H new ATOM 0 HG22 ILE A 85 1.862 5.065 -11.143 1.00 10.00 H new ATOM 0 HG23 ILE A 85 2.981 3.721 -11.475 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.664 1.336 -9.026 1.00 10.00 H new ATOM 0 HD12 ILE A 85 4.093 2.054 -10.552 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.333 2.887 -9.585 1.00 10.00 H new ATOM 1339 N LYS A 86 4.774 5.483 -11.715 1.00 10.00 N ATOM 1340 CA LYS A 86 5.090 6.081 -12.999 1.00 10.00 C ATOM 1341 C LYS A 86 3.897 6.828 -13.587 1.00 10.00 C ATOM 1342 O LYS A 86 4.063 7.929 -14.104 1.00 10.00 O ATOM 1343 CB LYS A 86 5.552 4.995 -13.974 1.00 10.00 C ATOM 1344 CG LYS A 86 6.697 4.167 -13.383 1.00 10.00 C ATOM 1345 CD LYS A 86 7.410 3.373 -14.485 1.00 10.00 C ATOM 1346 CE LYS A 86 8.420 4.231 -15.260 1.00 10.00 C ATOM 1347 NZ LYS A 86 8.876 3.552 -16.491 1.00 10.00 N ATOM 0 H LYS A 86 4.983 4.485 -11.675 1.00 10.00 H new ATOM 0 HA LYS A 86 5.890 6.805 -12.841 1.00 10.00 H new ATOM 0 HB2 LYS A 86 4.715 4.341 -14.216 1.00 10.00 H new ATOM 0 HB3 LYS A 86 5.877 5.455 -14.907 1.00 10.00 H new ATOM 0 HG2 LYS A 86 7.408 4.824 -12.882 1.00 10.00 H new ATOM 0 HG3 LYS A 86 6.308 3.484 -12.628 1.00 10.00 H new ATOM 0 HD2 LYS A 86 7.925 2.521 -14.041 1.00 10.00 H new ATOM 0 HD3 LYS A 86 6.670 2.972 -15.178 1.00 10.00 H new ATOM 0 HE2 LYS A 86 7.964 5.187 -15.518 1.00 10.00 H new ATOM 0 HE3 LYS A 86 9.278 4.448 -14.624 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 9.557 4.159 -16.990 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 9.332 2.651 -16.242 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 8.060 3.367 -17.108 1.00 10.00 H new ATOM 1361 N LYS A 87 2.729 6.178 -13.576 1.00 10.00 N ATOM 1362 CA LYS A 87 1.459 6.705 -14.031 1.00 10.00 C ATOM 1363 C LYS A 87 0.344 5.701 -13.714 1.00 10.00 C ATOM 1364 O LYS A 87 0.598 4.592 -13.236 1.00 10.00 O ATOM 1365 CB LYS A 87 1.516 7.015 -15.527 1.00 10.00 C ATOM 1366 CG LYS A 87 1.574 5.747 -16.382 1.00 10.00 C ATOM 1367 CD LYS A 87 2.442 5.922 -17.626 1.00 10.00 C ATOM 1368 CE LYS A 87 3.932 5.926 -17.259 1.00 10.00 C ATOM 1369 NZ LYS A 87 4.782 5.804 -18.458 1.00 10.00 N ATOM 0 H LYS A 87 2.651 5.222 -13.230 1.00 10.00 H new ATOM 0 HA LYS A 87 1.245 7.637 -13.508 1.00 10.00 H new ATOM 0 HB2 LYS A 87 0.640 7.600 -15.808 1.00 10.00 H new ATOM 0 HB3 LYS A 87 2.391 7.631 -15.735 1.00 10.00 H new ATOM 0 HG2 LYS A 87 1.965 4.925 -15.782 1.00 10.00 H new ATOM 0 HG3 LYS A 87 0.564 5.469 -16.683 1.00 10.00 H new ATOM 0 HD2 LYS A 87 2.240 5.116 -18.332 1.00 10.00 H new ATOM 0 HD3 LYS A 87 2.184 6.856 -18.126 1.00 10.00 H new ATOM 0 HE2 LYS A 87 4.176 6.848 -16.731 1.00 10.00 H new ATOM 0 HE3 LYS A 87 4.142 5.102 -16.577 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 5.783 5.810 -18.176 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 4.565 4.912 -18.948 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 4.598 6.604 -19.097 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.890 6.060 -14.075 1.00 10.00 N ATOM 1384 CA LYS A 88 -2.088 5.278 -13.807 1.00 10.00 C ATOM 1385 C LYS A 88 -1.976 3.871 -14.393 1.00 10.00 C ATOM 1386 O LYS A 88 -2.362 2.911 -13.740 1.00 10.00 O ATOM 1387 CB LYS A 88 -3.333 6.024 -14.310 1.00 10.00 C ATOM 1388 CG LYS A 88 -4.610 5.450 -13.674 1.00 10.00 C ATOM 1389 CD LYS A 88 -5.827 6.344 -13.960 1.00 10.00 C ATOM 1390 CE LYS A 88 -6.923 6.107 -12.906 1.00 10.00 C ATOM 1391 NZ LYS A 88 -8.046 7.060 -13.033 1.00 10.00 N ATOM 0 H LYS A 88 -1.083 6.928 -14.575 1.00 10.00 H new ATOM 0 HA LYS A 88 -2.191 5.155 -12.729 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -3.248 7.084 -14.071 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -3.395 5.945 -15.395 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -4.793 4.448 -14.062 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -4.471 5.355 -12.597 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -5.527 7.392 -13.953 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -6.218 6.131 -14.955 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -7.302 5.089 -13.003 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -6.489 6.192 -11.910 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -8.757 6.858 -12.301 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -7.693 8.031 -12.914 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -8.480 6.962 -13.973 1.00 10.00 H new ATOM 1405 N THR A 89 -1.433 3.755 -15.608 1.00 10.00 N ATOM 1406 CA THR A 89 -1.195 2.504 -16.312 1.00 10.00 C ATOM 1407 C THR A 89 -0.515 1.492 -15.385 1.00 10.00 C ATOM 1408 O THR A 89 -1.043 0.417 -15.101 1.00 10.00 O ATOM 1409 CB THR A 89 -0.314 2.838 -17.530 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.763 4.050 -18.109 1.00 10.00 O ATOM 1411 CG2 THR A 89 -0.334 1.741 -18.591 1.00 10.00 C ATOM 0 H THR A 89 -1.136 4.569 -16.146 1.00 10.00 H new ATOM 0 HA THR A 89 -2.130 2.048 -16.639 1.00 10.00 H new ATOM 0 HB THR A 89 0.712 2.929 -17.174 1.00 10.00 H new ATOM 0 HG1 THR A 89 -0.205 4.269 -18.884 1.00 10.00 H new ATOM 0 HG21 THR A 89 0.304 2.031 -19.426 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.034 0.810 -18.159 1.00 10.00 H new ATOM 0 HG23 THR A 89 -1.354 1.598 -18.947 1.00 10.00 H new ATOM 1419 N GLU A 90 0.656 1.887 -14.882 1.00 10.00 N ATOM 1420 CA GLU A 90 1.440 1.092 -13.962 1.00 10.00 C ATOM 1421 C GLU A 90 0.653 0.823 -12.692 1.00 10.00 C ATOM 1422 O GLU A 90 0.631 -0.306 -12.219 1.00 10.00 O ATOM 1423 CB GLU A 90 2.751 1.810 -13.643 1.00 10.00 C ATOM 1424 CG GLU A 90 3.889 1.383 -14.600 1.00 10.00 C ATOM 1425 CD GLU A 90 5.225 1.057 -13.926 1.00 10.00 C ATOM 1426 OE1 GLU A 90 5.347 1.251 -12.697 1.00 10.00 O ATOM 1427 OE2 GLU A 90 6.141 0.658 -14.679 1.00 10.00 O ATOM 0 H GLU A 90 1.085 2.784 -15.112 1.00 10.00 H new ATOM 0 HA GLU A 90 1.670 0.134 -14.428 1.00 10.00 H new ATOM 0 HB2 GLU A 90 2.602 2.887 -13.714 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.042 1.596 -12.615 1.00 10.00 H new ATOM 0 HG2 GLU A 90 3.561 0.508 -15.160 1.00 10.00 H new ATOM 0 HG3 GLU A 90 4.052 2.182 -15.324 1.00 10.00 H new ATOM 1434 N ARG A 91 0.026 1.858 -12.133 1.00 10.00 N ATOM 1435 CA ARG A 91 -0.792 1.707 -10.936 1.00 10.00 C ATOM 1436 C ARG A 91 -1.788 0.560 -11.132 1.00 10.00 C ATOM 1437 O ARG A 91 -1.903 -0.321 -10.285 1.00 10.00 O ATOM 1438 CB ARG A 91 -1.496 3.039 -10.619 1.00 10.00 C ATOM 1439 CG ARG A 91 -1.160 3.548 -9.212 1.00 10.00 C ATOM 1440 CD ARG A 91 -1.818 4.905 -8.927 1.00 10.00 C ATOM 1441 NE ARG A 91 -1.496 5.947 -9.923 1.00 10.00 N ATOM 1442 CZ ARG A 91 -2.233 7.055 -10.122 1.00 10.00 C ATOM 1443 NH1 ARG A 91 -3.244 7.346 -9.301 1.00 10.00 N ATOM 1444 NH2 ARG A 91 -1.957 7.883 -11.129 1.00 10.00 N ATOM 0 H ARG A 91 0.071 2.811 -12.493 1.00 10.00 H new ATOM 0 HA ARG A 91 -0.164 1.454 -10.082 1.00 10.00 H new ATOM 0 HB2 ARG A 91 -1.202 3.788 -11.355 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -2.574 2.909 -10.709 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -1.493 2.820 -8.472 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -0.079 3.638 -9.106 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -2.899 4.773 -8.890 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -1.505 5.249 -7.941 1.00 10.00 H new ATOM 0 HE ARG A 91 -0.662 5.819 -10.496 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -3.460 6.728 -8.519 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -3.800 8.187 -9.455 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -1.180 7.680 -11.758 1.00 10.00 H new ATOM 0 HH22 ARG A 91 -2.522 8.720 -11.271 1.00 10.00 H new ATOM 1458 N GLU A 92 -2.474 0.564 -12.274 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.506 -0.409 -12.612 1.00 10.00 C ATOM 1460 C GLU A 92 -2.891 -1.812 -12.598 1.00 10.00 C ATOM 1461 O GLU A 92 -3.323 -2.683 -11.842 1.00 10.00 O ATOM 1462 CB GLU A 92 -4.151 -0.029 -13.962 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.681 -0.177 -13.978 1.00 10.00 C ATOM 1464 CD GLU A 92 -6.113 -1.608 -14.237 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -5.996 -2.453 -13.329 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.471 -1.902 -15.399 1.00 10.00 O ATOM 0 H GLU A 92 -2.323 1.260 -13.004 1.00 10.00 H new ATOM 0 HA GLU A 92 -4.310 -0.406 -11.876 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -3.892 1.002 -14.201 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.726 -0.655 -14.747 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -6.087 0.157 -13.023 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -6.100 0.472 -14.747 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.833 -2.014 -13.392 1.00 10.00 N ATOM 1474 CA ASP A 93 -1.076 -3.265 -13.413 1.00 10.00 C ATOM 1475 C ASP A 93 -0.738 -3.710 -11.981 1.00 10.00 C ATOM 1476 O ASP A 93 -1.034 -4.832 -11.571 1.00 10.00 O ATOM 1477 CB ASP A 93 0.211 -3.085 -14.238 1.00 10.00 C ATOM 1478 CG ASP A 93 0.010 -3.031 -15.747 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.148 -3.197 -16.193 1.00 10.00 O ATOM 1480 OD2 ASP A 93 1.037 -2.841 -16.435 1.00 10.00 O ATOM 0 H ASP A 93 -1.479 -1.310 -14.039 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.686 -4.039 -13.878 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.702 -2.166 -13.920 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.890 -3.906 -14.007 1.00 10.00 H new ATOM 1485 N LEU A 94 -0.139 -2.807 -11.201 1.00 10.00 N ATOM 1486 CA LEU A 94 0.215 -3.029 -9.803 1.00 10.00 C ATOM 1487 C LEU A 94 -0.971 -3.595 -9.029 1.00 10.00 C ATOM 1488 O LEU A 94 -0.869 -4.671 -8.436 1.00 10.00 O ATOM 1489 CB LEU A 94 0.699 -1.715 -9.169 1.00 10.00 C ATOM 1490 CG LEU A 94 1.961 -1.902 -8.327 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.528 -0.520 -8.007 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.708 -2.678 -7.038 1.00 10.00 C ATOM 0 H LEU A 94 0.118 -1.879 -11.536 1.00 10.00 H new ATOM 0 HA LEU A 94 1.024 -3.758 -9.759 1.00 10.00 H new ATOM 0 HB2 LEU A 94 0.895 -0.986 -9.956 1.00 10.00 H new ATOM 0 HB3 LEU A 94 -0.093 -1.303 -8.544 1.00 10.00 H new ATOM 0 HG LEU A 94 2.671 -2.495 -8.903 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.431 -0.627 -7.406 1.00 10.00 H new ATOM 0 HD12 LEU A 94 2.770 -0.002 -8.935 1.00 10.00 H new ATOM 0 HD13 LEU A 94 1.789 0.057 -7.452 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.642 -2.778 -6.484 1.00 10.00 H new ATOM 0 HD22 LEU A 94 0.980 -2.143 -6.428 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.322 -3.668 -7.279 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.096 -2.871 -9.051 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.331 -3.316 -8.438 1.00 10.00 C ATOM 1506 C ILE A 95 -3.658 -4.726 -8.910 1.00 10.00 C ATOM 1507 O ILE A 95 -3.995 -5.564 -8.086 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.489 -2.328 -8.696 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.499 -1.226 -7.626 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.843 -3.061 -8.666 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.401 -0.169 -7.725 1.00 10.00 C ATOM 0 H ILE A 95 -2.165 -1.957 -9.499 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.196 -3.341 -7.357 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.338 -1.884 -9.680 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.464 -0.720 -7.666 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.428 -1.700 -6.647 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.647 -2.348 -8.850 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.857 -3.831 -9.438 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -5.985 -3.524 -7.689 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.516 0.552 -6.915 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.426 -0.649 -7.648 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.477 0.346 -8.683 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.603 -4.992 -10.214 1.00 10.00 N ATOM 1524 CA ALA A 96 -3.979 -6.293 -10.754 1.00 10.00 C ATOM 1525 C ALA A 96 -3.256 -7.426 -10.039 1.00 10.00 C ATOM 1526 O ALA A 96 -3.890 -8.394 -9.617 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.691 -6.360 -12.243 1.00 10.00 C ATOM 0 H ALA A 96 -3.300 -4.319 -10.917 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.050 -6.414 -10.591 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -3.979 -7.339 -12.626 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.261 -5.587 -12.759 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.626 -6.202 -12.415 1.00 10.00 H new ATOM 1533 N TYR A 97 -1.934 -7.297 -9.891 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.190 -8.242 -9.077 1.00 10.00 C ATOM 1535 C TYR A 97 -1.753 -8.239 -7.664 1.00 10.00 C ATOM 1536 O TYR A 97 -2.244 -9.256 -7.186 1.00 10.00 O ATOM 1537 CB TYR A 97 0.304 -7.914 -9.067 1.00 10.00 C ATOM 1538 CG TYR A 97 1.121 -8.831 -8.179 1.00 10.00 C ATOM 1539 CD1 TYR A 97 1.176 -10.207 -8.468 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.843 -8.318 -7.084 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.988 -11.056 -7.700 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.680 -9.165 -6.335 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.761 -10.532 -6.653 1.00 10.00 C ATOM 1544 OH TYR A 97 3.656 -11.340 -6.018 1.00 10.00 O ATOM 0 H TYR A 97 -1.373 -6.560 -10.318 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.298 -9.237 -9.508 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.687 -7.973 -10.086 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.439 -6.885 -8.734 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.592 -10.611 -9.282 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.754 -7.275 -6.819 1.00 10.00 H new ATOM 0 HE1 TYR A 97 2.018 -12.114 -7.915 1.00 10.00 H new ATOM 0 HE2 TYR A 97 3.260 -8.765 -5.516 1.00 10.00 H new ATOM 0 HH TYR A 97 4.116 -10.832 -5.317 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.675 -7.084 -7.008 1.00 10.00 N ATOM 1555 CA LEU A 98 -2.087 -6.897 -5.626 1.00 10.00 C ATOM 1556 C LEU A 98 -3.414 -7.593 -5.280 1.00 10.00 C ATOM 1557 O LEU A 98 -3.450 -8.362 -4.323 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.098 -5.395 -5.305 1.00 10.00 C ATOM 1559 CG LEU A 98 -1.116 -5.009 -4.186 1.00 10.00 C ATOM 1560 CD1 LEU A 98 -0.122 -3.969 -4.684 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.855 -4.414 -2.994 1.00 10.00 C ATOM 0 H LEU A 98 -1.314 -6.232 -7.437 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.357 -7.390 -4.984 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -1.850 -4.835 -6.207 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.106 -5.099 -5.013 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.596 -5.918 -3.885 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.565 -3.708 -3.879 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.441 -4.377 -5.524 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.659 -3.077 -5.006 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -1.138 -4.149 -2.217 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.395 -3.521 -3.309 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.562 -5.145 -2.602 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.482 -7.353 -6.053 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.805 -7.953 -5.885 1.00 10.00 C ATOM 1575 C LYS A 99 -5.702 -9.445 -5.605 1.00 10.00 C ATOM 1576 O LYS A 99 -6.344 -9.944 -4.680 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.671 -7.769 -7.142 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.201 -6.343 -7.306 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.308 -6.275 -8.374 1.00 10.00 C ATOM 1580 CE LYS A 99 -9.661 -5.944 -7.725 1.00 10.00 C ATOM 1581 NZ LYS A 99 -10.755 -5.844 -8.715 1.00 10.00 N ATOM 0 H LYS A 99 -4.442 -6.709 -6.843 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.267 -7.444 -5.039 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -6.084 -8.035 -8.021 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.513 -8.460 -7.099 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -7.591 -5.986 -6.353 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.383 -5.679 -7.585 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -8.059 -5.517 -9.117 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -8.373 -7.227 -8.900 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -9.907 -6.713 -6.993 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -9.579 -5.002 -7.182 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -11.645 -5.619 -8.227 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -10.536 -5.092 -9.399 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -10.854 -6.750 -9.216 1.00 10.00 H new ATOM 1595 N LYS A 100 -4.917 -10.139 -6.433 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.620 -11.541 -6.229 1.00 10.00 C ATOM 1597 C LYS A 100 -3.724 -11.633 -5.003 1.00 10.00 C ATOM 1598 O LYS A 100 -4.160 -12.077 -3.954 1.00 10.00 O ATOM 1599 CB LYS A 100 -3.926 -12.120 -7.465 1.00 10.00 C ATOM 1600 CG LYS A 100 -4.836 -12.109 -8.698 1.00 10.00 C ATOM 1601 CD LYS A 100 -5.633 -13.417 -8.852 1.00 10.00 C ATOM 1602 CE LYS A 100 -5.626 -13.868 -10.322 1.00 10.00 C ATOM 1603 NZ LYS A 100 -6.174 -15.229 -10.489 1.00 10.00 N ATOM 0 H LYS A 100 -4.475 -9.737 -7.260 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.532 -12.118 -6.074 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -3.024 -11.545 -7.676 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.611 -13.143 -7.257 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -5.529 -11.271 -8.627 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -4.232 -11.948 -9.591 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -5.198 -14.194 -8.223 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -6.658 -13.270 -8.513 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -6.210 -13.167 -10.918 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -4.606 -13.839 -10.705 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -6.150 -15.492 -11.495 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -5.602 -15.903 -9.941 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -7.156 -15.252 -10.149 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.497 -11.130 -5.136 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.359 -11.385 -4.266 1.00 10.00 C ATOM 1619 C ALA A 101 -1.751 -11.288 -2.797 1.00 10.00 C ATOM 1620 O ALA A 101 -1.574 -12.222 -2.022 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.239 -10.398 -4.611 1.00 10.00 C ATOM 0 H ALA A 101 -2.261 -10.497 -5.900 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.004 -12.403 -4.429 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.619 -10.581 -3.964 1.00 10.00 H new ATOM 0 HB2 ALA A 101 0.056 -10.532 -5.652 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.594 -9.378 -4.463 1.00 10.00 H new ATOM 1627 N THR A 102 -2.346 -10.158 -2.424 1.00 10.00 N ATOM 1628 CA THR A 102 -2.784 -9.913 -1.062 1.00 10.00 C ATOM 1629 C THR A 102 -3.732 -10.998 -0.549 1.00 10.00 C ATOM 1630 O THR A 102 -3.627 -11.427 0.598 1.00 10.00 O ATOM 1631 CB THR A 102 -3.437 -8.535 -1.002 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.528 -8.425 -1.901 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.388 -7.460 -1.290 1.00 10.00 C ATOM 0 H THR A 102 -2.536 -9.387 -3.064 1.00 10.00 H new ATOM 0 HA THR A 102 -1.915 -9.942 -0.405 1.00 10.00 H new ATOM 0 HB THR A 102 -3.838 -8.392 0.001 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.190 -8.315 -2.814 1.00 10.00 H new ATOM 0 HG21 THR A 102 -2.854 -6.476 -1.247 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.594 -7.518 -0.546 1.00 10.00 H new ATOM 0 HG23 THR A 102 -1.967 -7.619 -2.283 1.00 10.00 H new ATOM 1641 N ASN A 103 -4.646 -11.435 -1.413 1.00 10.00 N ATOM 1642 CA ASN A 103 -5.606 -12.503 -1.188 1.00 10.00 C ATOM 1643 C ASN A 103 -5.064 -13.856 -1.688 1.00 10.00 C ATOM 1644 O ASN A 103 -5.838 -14.806 -1.796 1.00 10.00 O ATOM 1645 CB ASN A 103 -6.904 -12.110 -1.911 1.00 10.00 C ATOM 1646 CG ASN A 103 -7.704 -11.046 -1.162 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -7.995 -11.194 0.021 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -8.099 -9.969 -1.838 1.00 10.00 N ATOM 0 H ASN A 103 -4.738 -11.026 -2.343 1.00 10.00 H new ATOM 0 HA ASN A 103 -5.794 -12.629 -0.122 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -6.661 -11.740 -2.907 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -7.523 -12.997 -2.043 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -8.653 -9.250 -1.373 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -7.848 -9.863 -2.821 1.00 10.00 H new ATOM 1655 N GLU A 104 -3.747 -13.940 -1.925 1.00 10.00 N ATOM 1656 CA GLU A 104 -2.988 -15.055 -2.463 1.00 10.00 C ATOM 1657 C GLU A 104 -3.162 -15.193 -3.991 1.00 10.00 C ATOM 1658 O GLU A 104 -2.130 -15.405 -4.667 1.00 10.00 O ATOM 1659 CB GLU A 104 -3.241 -16.328 -1.644 1.00 10.00 C ATOM 1660 CG GLU A 104 -1.932 -17.001 -1.204 1.00 10.00 C ATOM 1661 CD GLU A 104 -2.186 -18.205 -0.305 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -2.715 -17.982 0.807 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -1.843 -19.327 -0.737 1.00 10.00 O ATOM 1664 OXT GLU A 104 -4.304 -15.051 -4.486 1.00 10.00 O ATOM 0 H GLU A 104 -3.137 -13.148 -1.722 1.00 10.00 H new ATOM 0 HA GLU A 104 -1.923 -14.854 -2.349 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -3.835 -16.080 -0.764 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -3.827 -17.030 -2.237 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -1.373 -17.317 -2.084 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -1.312 -16.277 -0.675 1.00 10.00 H new