USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 944 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 100 THR OG1 : rot 59:sc= 1.45! USER MOD Set 1.2: A 118 TYR OH : rot 169:sc= 1.17 USER MOD Set 2.1: A 20 ASN : amide:sc= -1.41 K(o=-7.9,f=-12!) USER MOD Set 2.2: A 24 ASN : amide:sc= -6.46! C(o=-7.9!,f=-14!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -27:sc= -5.33! USER MOD Single : A 29 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.062) USER MOD Single : A 30 THR OG1 : rot -150:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -1.15 K(o=-1.1,f=-4.5!) USER MOD Single : A 35 ASN : amide:sc= -1.05 K(o=-1.1,f=-5.8!) USER MOD Single : A 38 GLN : amide:sc= -1.85 K(o=-1.8,f=-0.022) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= -1.14 (180deg=-2.07!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 167:sc= -8.83! (180deg=-9.77!) USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.047) USER MOD Single : A 69 MET CE :methyl 175:sc= -3.85! (180deg=-4.05!) USER MOD Single : A 70 LYS NZ :NH3+ -115:sc= -4.13! (180deg=-6.11!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -139:sc= -2.44 (180deg=-4.02!) USER MOD Single : A 82 THR OG1 : rot -65:sc= 0.129 USER MOD Single : A 91 GLN : amide:sc= -0.475 K(o=-0.48,f=-3.4!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HE2:sc= -32.5! C(o=-32!,f=-35!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 51 N GLU A 4 3.700 -12.037 -2.689 1.00 0.00 N ATOM 52 CA GLU A 4 2.670 -11.049 -2.259 1.00 0.00 C ATOM 53 C GLU A 4 3.353 -9.739 -1.863 1.00 0.00 C ATOM 54 O GLU A 4 3.491 -9.428 -0.697 1.00 0.00 O ATOM 55 CB GLU A 4 1.899 -11.606 -1.060 1.00 0.00 C ATOM 56 CG GLU A 4 2.846 -12.424 -0.180 1.00 0.00 C ATOM 57 CD GLU A 4 2.037 -13.182 0.874 1.00 0.00 C ATOM 58 OE1 GLU A 4 0.964 -13.658 0.540 1.00 0.00 O ATOM 59 OE2 GLU A 4 2.502 -13.274 1.998 1.00 0.00 O ATOM 0 HA GLU A 4 1.979 -10.863 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.463 -10.790 -0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.074 -12.230 -1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.413 -13.125 -0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.568 -11.767 0.304 1.00 0.00 H new ATOM 66 N LYS A 5 3.781 -8.967 -2.825 1.00 0.00 N ATOM 67 CA LYS A 5 4.454 -7.678 -2.502 1.00 0.00 C ATOM 68 C LYS A 5 3.935 -6.583 -3.435 1.00 0.00 C ATOM 69 O LYS A 5 3.483 -6.850 -4.531 1.00 0.00 O ATOM 70 CB LYS A 5 5.967 -7.830 -2.683 1.00 0.00 C ATOM 71 CG LYS A 5 6.251 -8.824 -3.812 1.00 0.00 C ATOM 72 CD LYS A 5 6.104 -10.253 -3.283 1.00 0.00 C ATOM 73 CE LYS A 5 7.418 -11.009 -3.484 1.00 0.00 C ATOM 74 NZ LYS A 5 7.577 -12.024 -2.405 1.00 0.00 N ATOM 0 H LYS A 5 3.693 -9.174 -3.820 1.00 0.00 H new ATOM 0 HA LYS A 5 4.239 -7.406 -1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.415 -6.864 -2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.421 -8.178 -1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.561 -8.658 -4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.258 -8.671 -4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.840 -10.235 -2.226 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.295 -10.764 -3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.425 -11.495 -4.459 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.256 -10.313 -3.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.471 -12.538 -2.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.589 -11.549 -1.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.783 -12.695 -2.439 1.00 0.00 H new ATOM 88 N ILE A 6 3.996 -5.350 -3.010 1.00 0.00 N ATOM 89 CA ILE A 6 3.506 -4.238 -3.872 1.00 0.00 C ATOM 90 C ILE A 6 4.302 -2.967 -3.563 1.00 0.00 C ATOM 91 O ILE A 6 4.903 -2.840 -2.515 1.00 0.00 O ATOM 92 CB ILE A 6 2.023 -3.993 -3.590 1.00 0.00 C ATOM 93 CG1 ILE A 6 1.303 -5.336 -3.452 1.00 0.00 C ATOM 94 CG2 ILE A 6 1.406 -3.203 -4.746 1.00 0.00 C ATOM 95 CD1 ILE A 6 -0.209 -5.105 -3.421 1.00 0.00 C ATOM 0 H ILE A 6 4.364 -5.065 -2.102 1.00 0.00 H new ATOM 0 HA ILE A 6 3.638 -4.503 -4.921 1.00 0.00 H new ATOM 0 HB ILE A 6 1.919 -3.425 -2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.565 -5.988 -4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.623 -5.840 -2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.349 -3.029 -4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.919 -2.246 -4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.510 -3.770 -5.671 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.721 -6.062 -3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.463 -4.469 -2.573 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.522 -4.619 -4.345 1.00 0.00 H new ATOM 107 N LEU A 7 4.310 -2.026 -4.466 1.00 0.00 N ATOM 108 CA LEU A 7 5.067 -0.766 -4.223 1.00 0.00 C ATOM 109 C LEU A 7 4.179 0.433 -4.561 1.00 0.00 C ATOM 110 O LEU A 7 3.912 0.714 -5.713 1.00 0.00 O ATOM 111 CB LEU A 7 6.316 -0.745 -5.109 1.00 0.00 C ATOM 112 CG LEU A 7 7.256 0.371 -4.649 1.00 0.00 C ATOM 113 CD1 LEU A 7 6.636 1.731 -4.975 1.00 0.00 C ATOM 114 CD2 LEU A 7 7.480 0.263 -3.139 1.00 0.00 C ATOM 0 H LEU A 7 3.825 -2.075 -5.362 1.00 0.00 H new ATOM 0 HA LEU A 7 5.364 -0.713 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.826 -1.707 -5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.033 -0.589 -6.150 1.00 0.00 H new ATOM 0 HG LEU A 7 8.211 0.274 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.307 2.525 -4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.479 1.811 -6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.680 1.828 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.150 1.059 -2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.525 0.358 -2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.925 -0.704 -2.905 1.00 0.00 H new ATOM 126 N ILE A 8 3.721 1.144 -3.567 1.00 0.00 N ATOM 127 CA ILE A 8 2.850 2.323 -3.834 1.00 0.00 C ATOM 128 C ILE A 8 3.706 3.590 -3.874 1.00 0.00 C ATOM 129 O ILE A 8 4.224 4.034 -2.869 1.00 0.00 O ATOM 130 CB ILE A 8 1.807 2.448 -2.721 1.00 0.00 C ATOM 131 CG1 ILE A 8 1.249 1.062 -2.390 1.00 0.00 C ATOM 132 CG2 ILE A 8 0.669 3.357 -3.188 1.00 0.00 C ATOM 133 CD1 ILE A 8 0.019 1.208 -1.491 1.00 0.00 C ATOM 0 H ILE A 8 3.912 0.959 -2.582 1.00 0.00 H new ATOM 0 HA ILE A 8 2.346 2.194 -4.792 1.00 0.00 H new ATOM 0 HB ILE A 8 2.272 2.876 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.982 0.537 -3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.009 0.462 -1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.074 3.446 -2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.066 4.344 -3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.203 2.930 -4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.379 0.221 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.301 1.716 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.742 1.792 -2.008 1.00 0.00 H new ATOM 145 N VAL A 9 3.858 4.178 -5.031 1.00 0.00 N ATOM 146 CA VAL A 9 4.680 5.417 -5.134 1.00 0.00 C ATOM 147 C VAL A 9 3.767 6.642 -5.053 1.00 0.00 C ATOM 148 O VAL A 9 3.012 6.926 -5.962 1.00 0.00 O ATOM 149 CB VAL A 9 5.424 5.424 -6.470 1.00 0.00 C ATOM 150 CG1 VAL A 9 6.299 6.676 -6.561 1.00 0.00 C ATOM 151 CG2 VAL A 9 6.308 4.178 -6.568 1.00 0.00 C ATOM 0 H VAL A 9 3.449 3.854 -5.907 1.00 0.00 H new ATOM 0 HA VAL A 9 5.400 5.445 -4.316 1.00 0.00 H new ATOM 0 HB VAL A 9 4.702 5.424 -7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.829 6.681 -7.513 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.671 7.564 -6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.021 6.676 -5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.839 4.182 -7.520 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.029 4.178 -5.751 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.686 3.285 -6.503 1.00 0.00 H new ATOM 161 N ASP A 10 3.829 7.370 -3.972 1.00 0.00 N ATOM 162 CA ASP A 10 2.963 8.575 -3.835 1.00 0.00 C ATOM 163 C ASP A 10 3.680 9.624 -2.983 1.00 0.00 C ATOM 164 O ASP A 10 3.859 9.454 -1.793 1.00 0.00 O ATOM 165 CB ASP A 10 1.647 8.183 -3.161 1.00 0.00 C ATOM 166 CG ASP A 10 0.645 7.727 -4.222 1.00 0.00 C ATOM 167 OD1 ASP A 10 0.293 8.538 -5.063 1.00 0.00 O ATOM 168 OD2 ASP A 10 0.249 6.574 -4.178 1.00 0.00 O ATOM 0 H ASP A 10 4.441 7.183 -3.178 1.00 0.00 H new ATOM 0 HA ASP A 10 2.756 8.988 -4.822 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.819 7.383 -2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.244 9.030 -2.606 1.00 0.00 H new ATOM 173 N ASP A 11 4.092 10.706 -3.582 1.00 0.00 N ATOM 174 CA ASP A 11 4.796 11.765 -2.806 1.00 0.00 C ATOM 175 C ASP A 11 3.776 12.559 -1.987 1.00 0.00 C ATOM 176 O ASP A 11 4.060 13.015 -0.898 1.00 0.00 O ATOM 177 CB ASP A 11 5.521 12.708 -3.769 1.00 0.00 C ATOM 178 CG ASP A 11 4.495 13.565 -4.513 1.00 0.00 C ATOM 179 OD1 ASP A 11 3.868 13.046 -5.422 1.00 0.00 O ATOM 180 OD2 ASP A 11 4.354 14.724 -4.162 1.00 0.00 O ATOM 0 H ASP A 11 3.972 10.903 -4.576 1.00 0.00 H new ATOM 0 HA ASP A 11 5.521 11.303 -2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.213 13.346 -3.219 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.114 12.133 -4.480 1.00 0.00 H new ATOM 185 N GLN A 12 2.590 12.728 -2.503 1.00 0.00 N ATOM 186 CA GLN A 12 1.553 13.491 -1.754 1.00 0.00 C ATOM 187 C GLN A 12 0.942 12.597 -0.674 1.00 0.00 C ATOM 188 O GLN A 12 0.143 11.726 -0.953 1.00 0.00 O ATOM 189 CB GLN A 12 0.456 13.945 -2.720 1.00 0.00 C ATOM 190 CG GLN A 12 -0.456 14.954 -2.021 1.00 0.00 C ATOM 191 CD GLN A 12 -1.502 15.470 -3.011 1.00 0.00 C ATOM 192 OE1 GLN A 12 -1.246 16.398 -3.753 1.00 0.00 O ATOM 193 NE2 GLN A 12 -2.677 14.905 -3.053 1.00 0.00 N ATOM 0 H GLN A 12 2.294 12.370 -3.411 1.00 0.00 H new ATOM 0 HA GLN A 12 2.011 14.363 -1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.902 14.396 -3.607 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.125 13.086 -3.056 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.947 14.486 -1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.133 15.785 -1.633 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.891 14.126 -2.430 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.382 15.242 -3.709 1.00 0.00 H new ATOM 202 N TYR A 13 1.312 12.805 0.560 1.00 0.00 N ATOM 203 CA TYR A 13 0.753 11.967 1.657 1.00 0.00 C ATOM 204 C TYR A 13 -0.757 11.815 1.465 1.00 0.00 C ATOM 205 O TYR A 13 -1.362 12.496 0.660 1.00 0.00 O ATOM 206 CB TYR A 13 1.029 12.640 3.004 1.00 0.00 C ATOM 207 CG TYR A 13 1.051 11.597 4.094 1.00 0.00 C ATOM 208 CD1 TYR A 13 1.768 10.408 3.911 1.00 0.00 C ATOM 209 CD2 TYR A 13 0.354 11.816 5.288 1.00 0.00 C ATOM 210 CE1 TYR A 13 1.788 9.439 4.921 1.00 0.00 C ATOM 211 CE2 TYR A 13 0.374 10.848 6.299 1.00 0.00 C ATOM 212 CZ TYR A 13 1.091 9.660 6.116 1.00 0.00 C ATOM 213 OH TYR A 13 1.112 8.706 7.112 1.00 0.00 O ATOM 0 H TYR A 13 1.977 13.519 0.855 1.00 0.00 H new ATOM 0 HA TYR A 13 1.223 10.984 1.638 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.983 13.166 2.971 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.261 13.385 3.214 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.306 10.239 2.990 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.200 12.732 5.429 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.340 8.522 4.779 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.164 11.018 7.220 1.00 0.00 H new ATOM 0 HH TYR A 13 0.579 9.017 7.874 1.00 0.00 H new ATOM 223 N GLY A 14 -1.371 10.925 2.195 1.00 0.00 N ATOM 224 CA GLY A 14 -2.842 10.729 2.052 1.00 0.00 C ATOM 225 C GLY A 14 -3.111 9.451 1.255 1.00 0.00 C ATOM 226 O GLY A 14 -3.647 8.490 1.768 1.00 0.00 O ATOM 0 H GLY A 14 -0.918 10.325 2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.308 10.662 3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.286 11.586 1.546 1.00 0.00 H new ATOM 230 N ILE A 15 -2.743 9.434 0.003 1.00 0.00 N ATOM 231 CA ILE A 15 -2.976 8.220 -0.828 1.00 0.00 C ATOM 232 C ILE A 15 -2.167 7.052 -0.255 1.00 0.00 C ATOM 233 O ILE A 15 -2.714 6.061 0.184 1.00 0.00 O ATOM 234 CB ILE A 15 -2.534 8.501 -2.269 1.00 0.00 C ATOM 235 CG1 ILE A 15 -3.611 9.328 -2.976 1.00 0.00 C ATOM 236 CG2 ILE A 15 -2.335 7.183 -3.023 1.00 0.00 C ATOM 237 CD1 ILE A 15 -2.978 10.587 -3.572 1.00 0.00 C ATOM 0 H ILE A 15 -2.290 10.210 -0.480 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.035 7.963 -0.819 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.593 9.051 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.081 8.737 -3.762 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.396 9.602 -2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.021 7.393 -4.046 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.570 6.590 -2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.273 6.627 -3.038 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.744 11.176 -4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.529 11.180 -2.776 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.209 10.303 -4.290 1.00 0.00 H new ATOM 249 N ARG A 16 -0.867 7.164 -0.260 1.00 0.00 N ATOM 250 CA ARG A 16 -0.016 6.064 0.278 1.00 0.00 C ATOM 251 C ARG A 16 -0.624 5.519 1.574 1.00 0.00 C ATOM 252 O ARG A 16 -0.419 4.377 1.932 1.00 0.00 O ATOM 253 CB ARG A 16 1.391 6.599 0.563 1.00 0.00 C ATOM 254 CG ARG A 16 1.310 8.075 0.963 1.00 0.00 C ATOM 255 CD ARG A 16 1.813 8.945 -0.191 1.00 0.00 C ATOM 256 NE ARG A 16 2.765 9.964 0.335 1.00 0.00 N ATOM 257 CZ ARG A 16 3.905 9.591 0.853 1.00 0.00 C ATOM 258 NH1 ARG A 16 4.215 8.324 0.916 1.00 0.00 N ATOM 259 NH2 ARG A 16 4.735 10.488 1.311 1.00 0.00 N ATOM 0 H ARG A 16 -0.356 7.972 -0.614 1.00 0.00 H new ATOM 0 HA ARG A 16 0.038 5.262 -0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.856 6.021 1.362 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.020 6.485 -0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.282 8.340 1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.909 8.254 1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.305 8.325 -0.941 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.974 9.436 -0.684 1.00 0.00 H new ATOM 0 HE ARG A 16 2.526 10.955 0.290 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.566 7.622 0.560 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.106 8.036 1.321 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.493 11.478 1.264 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.626 10.199 1.716 1.00 0.00 H new ATOM 273 N ILE A 17 -1.367 6.325 2.283 1.00 0.00 N ATOM 274 CA ILE A 17 -1.977 5.846 3.557 1.00 0.00 C ATOM 275 C ILE A 17 -3.221 5.007 3.252 1.00 0.00 C ATOM 276 O ILE A 17 -3.302 3.849 3.611 1.00 0.00 O ATOM 277 CB ILE A 17 -2.375 7.047 4.415 1.00 0.00 C ATOM 278 CG1 ILE A 17 -1.228 8.062 4.436 1.00 0.00 C ATOM 279 CG2 ILE A 17 -2.666 6.581 5.843 1.00 0.00 C ATOM 280 CD1 ILE A 17 -1.692 9.343 5.131 1.00 0.00 C ATOM 0 H ILE A 17 -1.578 7.292 2.036 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.252 5.235 4.095 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.267 7.512 3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.368 7.644 4.958 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.906 8.284 3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.950 7.438 6.455 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.481 5.858 5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.774 6.115 6.263 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.876 10.065 5.146 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.539 9.764 4.590 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.992 9.114 6.153 1.00 0.00 H new ATOM 292 N LEU A 18 -4.193 5.582 2.598 1.00 0.00 N ATOM 293 CA LEU A 18 -5.431 4.817 2.277 1.00 0.00 C ATOM 294 C LEU A 18 -5.063 3.517 1.559 1.00 0.00 C ATOM 295 O LEU A 18 -5.408 2.437 1.996 1.00 0.00 O ATOM 296 CB LEU A 18 -6.331 5.662 1.373 1.00 0.00 C ATOM 297 CG LEU A 18 -7.218 6.563 2.232 1.00 0.00 C ATOM 298 CD1 LEU A 18 -6.347 7.561 2.995 1.00 0.00 C ATOM 299 CD2 LEU A 18 -8.194 7.324 1.331 1.00 0.00 C ATOM 0 H LEU A 18 -4.183 6.548 2.272 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.959 4.581 3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.723 6.267 0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.948 5.015 0.749 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.776 5.952 2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.980 8.203 3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.651 7.020 3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.788 8.172 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.827 7.967 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.634 7.934 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.816 6.614 0.787 1.00 0.00 H new ATOM 311 N LEU A 19 -4.370 3.611 0.459 1.00 0.00 N ATOM 312 CA LEU A 19 -3.984 2.380 -0.288 1.00 0.00 C ATOM 313 C LEU A 19 -3.189 1.452 0.630 1.00 0.00 C ATOM 314 O LEU A 19 -3.111 0.260 0.407 1.00 0.00 O ATOM 315 CB LEU A 19 -3.124 2.767 -1.493 1.00 0.00 C ATOM 316 CG LEU A 19 -4.010 3.388 -2.572 1.00 0.00 C ATOM 317 CD1 LEU A 19 -4.372 4.821 -2.176 1.00 0.00 C ATOM 318 CD2 LEU A 19 -3.257 3.405 -3.903 1.00 0.00 C ATOM 0 H LEU A 19 -4.054 4.487 0.044 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.882 1.866 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.352 3.474 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.614 1.888 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.921 2.798 -2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.004 5.263 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.909 4.812 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.461 5.411 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.889 3.848 -4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.346 3.994 -3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.999 2.385 -4.188 1.00 0.00 H new ATOM 330 N ASN A 20 -2.596 1.989 1.660 1.00 0.00 N ATOM 331 CA ASN A 20 -1.803 1.137 2.592 1.00 0.00 C ATOM 332 C ASN A 20 -2.753 0.340 3.492 1.00 0.00 C ATOM 333 O ASN A 20 -2.905 -0.856 3.343 1.00 0.00 O ATOM 334 CB ASN A 20 -0.909 2.027 3.459 1.00 0.00 C ATOM 335 CG ASN A 20 -0.222 1.174 4.527 1.00 0.00 C ATOM 336 OD1 ASN A 20 0.040 0.007 4.313 1.00 0.00 O ATOM 337 ND2 ASN A 20 0.084 1.710 5.676 1.00 0.00 N ATOM 0 H ASN A 20 -2.626 2.981 1.897 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.185 0.448 2.016 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.162 2.524 2.840 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.504 2.809 3.930 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.543 1.150 6.394 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.136 2.690 5.856 1.00 0.00 H new ATOM 344 N GLU A 21 -3.389 0.994 4.425 1.00 0.00 N ATOM 345 CA GLU A 21 -4.324 0.275 5.336 1.00 0.00 C ATOM 346 C GLU A 21 -5.338 -0.519 4.510 1.00 0.00 C ATOM 347 O GLU A 21 -5.959 -1.444 4.994 1.00 0.00 O ATOM 348 CB GLU A 21 -5.062 1.289 6.212 1.00 0.00 C ATOM 349 CG GLU A 21 -4.660 1.091 7.674 1.00 0.00 C ATOM 350 CD GLU A 21 -4.575 2.451 8.370 1.00 0.00 C ATOM 351 OE1 GLU A 21 -5.250 3.364 7.925 1.00 0.00 O ATOM 352 OE2 GLU A 21 -3.836 2.556 9.334 1.00 0.00 O ATOM 0 H GLU A 21 -3.302 1.996 4.596 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.758 -0.409 5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.823 2.303 5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.139 1.165 6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.388 0.457 8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.699 0.581 7.732 1.00 0.00 H new ATOM 359 N VAL A 22 -5.513 -0.165 3.267 1.00 0.00 N ATOM 360 CA VAL A 22 -6.489 -0.900 2.414 1.00 0.00 C ATOM 361 C VAL A 22 -5.871 -2.223 1.960 1.00 0.00 C ATOM 362 O VAL A 22 -6.396 -3.288 2.224 1.00 0.00 O ATOM 363 CB VAL A 22 -6.836 -0.051 1.189 1.00 0.00 C ATOM 364 CG1 VAL A 22 -7.684 -0.877 0.220 1.00 0.00 C ATOM 365 CG2 VAL A 22 -7.626 1.182 1.633 1.00 0.00 C ATOM 0 H VAL A 22 -5.023 0.601 2.805 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.395 -1.099 2.986 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.918 0.263 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.932 -0.273 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.123 -1.757 -0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.602 -1.191 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.874 1.788 0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.544 0.867 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.023 1.771 2.325 1.00 0.00 H new ATOM 375 N PHE A 23 -4.760 -2.168 1.279 1.00 0.00 N ATOM 376 CA PHE A 23 -4.110 -3.425 0.811 1.00 0.00 C ATOM 377 C PHE A 23 -3.613 -4.219 2.020 1.00 0.00 C ATOM 378 O PHE A 23 -3.234 -5.369 1.906 1.00 0.00 O ATOM 379 CB PHE A 23 -2.925 -3.079 -0.094 1.00 0.00 C ATOM 380 CG PHE A 23 -3.436 -2.623 -1.441 1.00 0.00 C ATOM 381 CD1 PHE A 23 -4.461 -3.331 -2.077 1.00 0.00 C ATOM 382 CD2 PHE A 23 -2.884 -1.490 -2.052 1.00 0.00 C ATOM 383 CE1 PHE A 23 -4.935 -2.909 -3.325 1.00 0.00 C ATOM 384 CE2 PHE A 23 -3.358 -1.067 -3.300 1.00 0.00 C ATOM 385 CZ PHE A 23 -4.383 -1.777 -3.936 1.00 0.00 C ATOM 0 H PHE A 23 -4.274 -1.308 1.026 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.831 -4.023 0.253 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.322 -2.294 0.363 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.279 -3.949 -0.214 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.887 -4.204 -1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.093 -0.943 -1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.726 -3.456 -3.816 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.933 -0.193 -3.772 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.748 -1.451 -4.899 1.00 0.00 H new ATOM 395 N ASN A 24 -3.615 -3.618 3.178 1.00 0.00 N ATOM 396 CA ASN A 24 -3.145 -4.340 4.393 1.00 0.00 C ATOM 397 C ASN A 24 -4.195 -5.372 4.809 1.00 0.00 C ATOM 398 O ASN A 24 -3.936 -6.558 4.837 1.00 0.00 O ATOM 399 CB ASN A 24 -2.935 -3.339 5.532 1.00 0.00 C ATOM 400 CG ASN A 24 -1.706 -2.479 5.236 1.00 0.00 C ATOM 401 OD1 ASN A 24 -1.753 -1.270 5.351 1.00 0.00 O ATOM 402 ND2 ASN A 24 -0.598 -3.055 4.856 1.00 0.00 N ATOM 0 H ASN A 24 -3.922 -2.658 3.335 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.204 -4.845 4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.816 -2.707 5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.803 -3.868 6.476 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.228 -2.490 4.656 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.558 -4.070 4.759 1.00 0.00 H new ATOM 409 N LYS A 25 -5.381 -4.930 5.131 1.00 0.00 N ATOM 410 CA LYS A 25 -6.445 -5.887 5.542 1.00 0.00 C ATOM 411 C LYS A 25 -6.757 -6.827 4.375 1.00 0.00 C ATOM 412 O LYS A 25 -7.327 -7.886 4.552 1.00 0.00 O ATOM 413 CB LYS A 25 -7.708 -5.113 5.926 1.00 0.00 C ATOM 414 CG LYS A 25 -7.876 -5.133 7.446 1.00 0.00 C ATOM 415 CD LYS A 25 -8.925 -6.178 7.832 1.00 0.00 C ATOM 416 CE LYS A 25 -9.670 -5.717 9.086 1.00 0.00 C ATOM 417 NZ LYS A 25 -11.134 -5.685 8.810 1.00 0.00 N ATOM 0 H LYS A 25 -5.658 -3.948 5.127 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.103 -6.468 6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.639 -4.085 5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.580 -5.558 5.447 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.924 -5.364 7.924 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.180 -4.149 7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.628 -6.323 7.012 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.445 -7.140 8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.460 -6.392 9.916 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.324 -4.728 9.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.641 -5.372 9.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.326 -5.024 8.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.458 -6.637 8.545 1.00 0.00 H new ATOM 431 N GLU A 26 -6.388 -6.447 3.183 1.00 0.00 N ATOM 432 CA GLU A 26 -6.662 -7.317 2.005 1.00 0.00 C ATOM 433 C GLU A 26 -5.679 -8.489 1.999 1.00 0.00 C ATOM 434 O GLU A 26 -6.009 -9.587 1.595 1.00 0.00 O ATOM 435 CB GLU A 26 -6.491 -6.503 0.721 1.00 0.00 C ATOM 436 CG GLU A 26 -7.858 -6.279 0.073 1.00 0.00 C ATOM 437 CD GLU A 26 -7.676 -5.588 -1.279 1.00 0.00 C ATOM 438 OE1 GLU A 26 -7.337 -4.416 -1.283 1.00 0.00 O ATOM 439 OE2 GLU A 26 -7.878 -6.242 -2.289 1.00 0.00 O ATOM 0 H GLU A 26 -5.908 -5.571 2.974 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.682 -7.697 2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.022 -5.545 0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.831 -7.028 0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.370 -7.232 -0.060 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.485 -5.669 0.723 1.00 0.00 H new ATOM 446 N GLY A 27 -4.473 -8.265 2.442 1.00 0.00 N ATOM 447 CA GLY A 27 -3.469 -9.365 2.463 1.00 0.00 C ATOM 448 C GLY A 27 -2.365 -9.067 1.447 1.00 0.00 C ATOM 449 O GLY A 27 -1.971 -9.918 0.675 1.00 0.00 O ATOM 0 H GLY A 27 -4.139 -7.367 2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.042 -9.463 3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.949 -10.315 2.226 1.00 0.00 H new ATOM 453 N TYR A 28 -1.863 -7.862 1.441 1.00 0.00 N ATOM 454 CA TYR A 28 -0.786 -7.510 0.473 1.00 0.00 C ATOM 455 C TYR A 28 0.267 -6.647 1.171 1.00 0.00 C ATOM 456 O TYR A 28 -0.052 -5.714 1.882 1.00 0.00 O ATOM 457 CB TYR A 28 -1.384 -6.726 -0.696 1.00 0.00 C ATOM 458 CG TYR A 28 -2.422 -7.571 -1.394 1.00 0.00 C ATOM 459 CD1 TYR A 28 -2.026 -8.548 -2.315 1.00 0.00 C ATOM 460 CD2 TYR A 28 -3.782 -7.374 -1.123 1.00 0.00 C ATOM 461 CE1 TYR A 28 -2.988 -9.329 -2.964 1.00 0.00 C ATOM 462 CE2 TYR A 28 -4.744 -8.155 -1.773 1.00 0.00 C ATOM 463 CZ TYR A 28 -4.348 -9.133 -2.693 1.00 0.00 C ATOM 464 OH TYR A 28 -5.297 -9.904 -3.334 1.00 0.00 O ATOM 0 H TYR A 28 -2.152 -7.107 2.064 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.323 -8.424 0.102 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.836 -5.802 -0.334 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.599 -6.444 -1.397 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.977 -8.699 -2.525 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.088 -6.620 -0.413 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.682 -10.083 -3.674 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.793 -8.003 -1.565 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.947 -10.201 -4.200 1.00 0.00 H new ATOM 474 N GLN A 29 1.521 -6.946 0.969 1.00 0.00 N ATOM 475 CA GLN A 29 2.592 -6.137 1.616 1.00 0.00 C ATOM 476 C GLN A 29 2.995 -4.999 0.678 1.00 0.00 C ATOM 477 O GLN A 29 3.951 -5.102 -0.065 1.00 0.00 O ATOM 478 CB GLN A 29 3.807 -7.026 1.893 1.00 0.00 C ATOM 479 CG GLN A 29 3.358 -8.291 2.627 1.00 0.00 C ATOM 480 CD GLN A 29 3.323 -8.023 4.132 1.00 0.00 C ATOM 481 OE1 GLN A 29 2.329 -8.278 4.783 1.00 0.00 O ATOM 482 NE2 GLN A 29 4.372 -7.513 4.718 1.00 0.00 N ATOM 0 H GLN A 29 1.850 -7.715 0.385 1.00 0.00 H new ATOM 0 HA GLN A 29 2.225 -5.726 2.556 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.298 -7.291 0.957 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.538 -6.484 2.494 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.371 -8.596 2.278 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.041 -9.112 2.409 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.207 -7.299 4.173 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.357 -7.329 5.721 1.00 0.00 H new ATOM 491 N THR A 30 2.269 -3.915 0.699 1.00 0.00 N ATOM 492 CA THR A 30 2.606 -2.774 -0.199 1.00 0.00 C ATOM 493 C THR A 30 3.581 -1.832 0.511 1.00 0.00 C ATOM 494 O THR A 30 3.576 -1.710 1.719 1.00 0.00 O ATOM 495 CB THR A 30 1.327 -2.010 -0.551 1.00 0.00 C ATOM 496 OG1 THR A 30 0.985 -1.144 0.521 1.00 0.00 O ATOM 497 CG2 THR A 30 0.188 -3.001 -0.791 1.00 0.00 C ATOM 0 H THR A 30 1.457 -3.770 1.299 1.00 0.00 H new ATOM 0 HA THR A 30 3.068 -3.154 -1.110 1.00 0.00 H new ATOM 0 HB THR A 30 1.491 -1.423 -1.455 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.012 -1.028 0.550 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.722 -2.456 -1.041 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.451 -3.665 -1.614 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.022 -3.589 0.111 1.00 0.00 H new ATOM 505 N PHE A 31 4.415 -1.160 -0.235 1.00 0.00 N ATOM 506 CA PHE A 31 5.388 -0.223 0.390 1.00 0.00 C ATOM 507 C PHE A 31 5.020 1.213 0.012 1.00 0.00 C ATOM 508 O PHE A 31 3.956 1.471 -0.516 1.00 0.00 O ATOM 509 CB PHE A 31 6.798 -0.539 -0.113 1.00 0.00 C ATOM 510 CG PHE A 31 7.351 -1.721 0.647 1.00 0.00 C ATOM 511 CD1 PHE A 31 6.781 -2.989 0.482 1.00 0.00 C ATOM 512 CD2 PHE A 31 8.433 -1.549 1.519 1.00 0.00 C ATOM 513 CE1 PHE A 31 7.293 -4.085 1.186 1.00 0.00 C ATOM 514 CE2 PHE A 31 8.945 -2.644 2.224 1.00 0.00 C ATOM 515 CZ PHE A 31 8.375 -3.912 2.058 1.00 0.00 C ATOM 0 H PHE A 31 4.464 -1.220 -1.252 1.00 0.00 H new ATOM 0 HA PHE A 31 5.358 -0.335 1.474 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.774 -0.758 -1.180 1.00 0.00 H new ATOM 0 HB3 PHE A 31 7.446 0.328 0.020 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.945 -3.122 -0.189 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.873 -0.571 1.648 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.854 -5.063 1.057 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.780 -2.511 2.896 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.770 -4.757 2.603 1.00 0.00 H new ATOM 525 N GLN A 32 5.889 2.151 0.275 1.00 0.00 N ATOM 526 CA GLN A 32 5.579 3.566 -0.073 1.00 0.00 C ATOM 527 C GLN A 32 6.771 4.191 -0.799 1.00 0.00 C ATOM 528 O GLN A 32 7.909 3.829 -0.573 1.00 0.00 O ATOM 529 CB GLN A 32 5.292 4.354 1.207 1.00 0.00 C ATOM 530 CG GLN A 32 3.840 4.836 1.194 1.00 0.00 C ATOM 531 CD GLN A 32 2.905 3.648 1.433 1.00 0.00 C ATOM 532 OE1 GLN A 32 2.272 3.165 0.515 1.00 0.00 O ATOM 533 NE2 GLN A 32 2.791 3.153 2.635 1.00 0.00 N ATOM 0 H GLN A 32 6.797 1.999 0.714 1.00 0.00 H new ATOM 0 HA GLN A 32 4.705 3.595 -0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.471 3.727 2.081 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.968 5.205 1.282 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.690 5.591 1.965 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.610 5.306 0.238 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.322 3.558 3.406 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.171 2.361 2.804 1.00 0.00 H new ATOM 542 N ALA A 33 6.520 5.130 -1.670 1.00 0.00 N ATOM 543 CA ALA A 33 7.635 5.783 -2.411 1.00 0.00 C ATOM 544 C ALA A 33 7.283 7.250 -2.667 1.00 0.00 C ATOM 545 O ALA A 33 6.276 7.746 -2.201 1.00 0.00 O ATOM 546 CB ALA A 33 7.848 5.068 -3.746 1.00 0.00 C ATOM 0 H ALA A 33 5.588 5.474 -1.901 1.00 0.00 H new ATOM 0 HA ALA A 33 8.549 5.726 -1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.664 5.546 -4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.097 4.023 -3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.935 5.125 -4.339 1.00 0.00 H new ATOM 552 N ALA A 34 8.101 7.949 -3.405 1.00 0.00 N ATOM 553 CA ALA A 34 7.807 9.382 -3.686 1.00 0.00 C ATOM 554 C ALA A 34 8.857 9.943 -4.648 1.00 0.00 C ATOM 555 O ALA A 34 8.537 10.443 -5.709 1.00 0.00 O ATOM 556 CB ALA A 34 7.839 10.176 -2.379 1.00 0.00 C ATOM 0 H ALA A 34 8.959 7.590 -3.825 1.00 0.00 H new ATOM 0 HA ALA A 34 6.819 9.465 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.624 11.225 -2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.090 9.780 -1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.826 10.091 -1.925 1.00 0.00 H new ATOM 562 N ASN A 35 10.109 9.864 -4.287 1.00 0.00 N ATOM 563 CA ASN A 35 11.176 10.394 -5.182 1.00 0.00 C ATOM 564 C ASN A 35 11.492 9.364 -6.270 1.00 0.00 C ATOM 565 O ASN A 35 12.338 9.582 -7.115 1.00 0.00 O ATOM 566 CB ASN A 35 12.437 10.672 -4.361 1.00 0.00 C ATOM 567 CG ASN A 35 12.693 9.505 -3.406 1.00 0.00 C ATOM 568 OD1 ASN A 35 13.257 8.500 -3.792 1.00 0.00 O ATOM 569 ND2 ASN A 35 12.300 9.596 -2.165 1.00 0.00 N ATOM 0 H ASN A 35 10.438 9.456 -3.412 1.00 0.00 H new ATOM 0 HA ASN A 35 10.833 11.318 -5.648 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.292 10.808 -5.023 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.320 11.598 -3.798 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.466 8.824 -1.519 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.827 10.439 -1.840 1.00 0.00 H new ATOM 576 N GLY A 36 10.820 8.245 -6.258 1.00 0.00 N ATOM 577 CA GLY A 36 11.085 7.206 -7.294 1.00 0.00 C ATOM 578 C GLY A 36 12.242 6.315 -6.841 1.00 0.00 C ATOM 579 O GLY A 36 12.127 5.106 -6.796 1.00 0.00 O ATOM 0 H GLY A 36 10.100 8.005 -5.577 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.191 6.604 -7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.328 7.680 -8.245 1.00 0.00 H new ATOM 583 N LEU A 37 13.359 6.902 -6.506 1.00 0.00 N ATOM 584 CA LEU A 37 14.523 6.087 -6.057 1.00 0.00 C ATOM 585 C LEU A 37 14.051 5.025 -5.062 1.00 0.00 C ATOM 586 O LEU A 37 14.222 3.840 -5.275 1.00 0.00 O ATOM 587 CB LEU A 37 15.552 6.996 -5.383 1.00 0.00 C ATOM 588 CG LEU A 37 16.686 7.300 -6.363 1.00 0.00 C ATOM 589 CD1 LEU A 37 17.338 5.992 -6.812 1.00 0.00 C ATOM 590 CD2 LEU A 37 16.122 8.032 -7.583 1.00 0.00 C ATOM 0 H LEU A 37 13.515 7.910 -6.524 1.00 0.00 H new ATOM 0 HA LEU A 37 14.978 5.599 -6.919 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.078 7.923 -5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.949 6.514 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 37 17.431 7.927 -5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.146 6.209 -7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.739 5.469 -5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.594 5.364 -7.302 1.00 0.00 H new ATOM 0 HD21 LEU A 37 16.929 8.249 -8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.377 7.404 -8.072 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.657 8.965 -7.265 1.00 0.00 H new ATOM 602 N GLN A 38 13.461 5.438 -3.974 1.00 0.00 N ATOM 603 CA GLN A 38 12.979 4.451 -2.967 1.00 0.00 C ATOM 604 C GLN A 38 12.107 3.401 -3.658 1.00 0.00 C ATOM 605 O GLN A 38 12.151 2.231 -3.331 1.00 0.00 O ATOM 606 CB GLN A 38 12.157 5.174 -1.897 1.00 0.00 C ATOM 607 CG GLN A 38 11.956 4.248 -0.696 1.00 0.00 C ATOM 608 CD GLN A 38 13.114 4.426 0.288 1.00 0.00 C ATOM 609 OE1 GLN A 38 12.974 4.157 1.464 1.00 0.00 O ATOM 610 NE2 GLN A 38 14.260 4.873 -0.147 1.00 0.00 N ATOM 0 H GLN A 38 13.292 6.416 -3.739 1.00 0.00 H new ATOM 0 HA GLN A 38 13.834 3.962 -2.500 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.667 6.086 -1.586 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.191 5.473 -2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.010 4.473 -0.204 1.00 0.00 H new ATOM 0 HG3 GLN A 38 11.904 3.211 -1.028 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.378 5.099 -1.135 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.038 4.996 0.501 1.00 0.00 H new ATOM 619 N ALA A 39 11.314 3.808 -4.609 1.00 0.00 N ATOM 620 CA ALA A 39 10.440 2.832 -5.319 1.00 0.00 C ATOM 621 C ALA A 39 11.306 1.767 -5.996 1.00 0.00 C ATOM 622 O ALA A 39 10.963 0.602 -6.025 1.00 0.00 O ATOM 623 CB ALA A 39 9.612 3.564 -6.378 1.00 0.00 C ATOM 0 H ALA A 39 11.233 4.774 -4.926 1.00 0.00 H new ATOM 0 HA ALA A 39 9.773 2.355 -4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.973 2.850 -6.897 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.994 4.322 -5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.279 4.042 -7.095 1.00 0.00 H new ATOM 629 N LEU A 40 12.426 2.156 -6.542 1.00 0.00 N ATOM 630 CA LEU A 40 13.310 1.164 -7.215 1.00 0.00 C ATOM 631 C LEU A 40 14.058 0.350 -6.157 1.00 0.00 C ATOM 632 O LEU A 40 14.532 -0.739 -6.416 1.00 0.00 O ATOM 633 CB LEU A 40 14.318 1.896 -8.103 1.00 0.00 C ATOM 634 CG LEU A 40 13.575 2.642 -9.212 1.00 0.00 C ATOM 635 CD1 LEU A 40 14.490 3.709 -9.815 1.00 0.00 C ATOM 636 CD2 LEU A 40 13.163 1.650 -10.304 1.00 0.00 C ATOM 0 H LEU A 40 12.766 3.117 -6.551 1.00 0.00 H new ATOM 0 HA LEU A 40 12.706 0.496 -7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.902 2.597 -7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.021 1.184 -8.537 1.00 0.00 H new ATOM 0 HG LEU A 40 12.687 3.119 -8.796 1.00 0.00 H new ATOM 0 HD11 LEU A 40 13.959 4.240 -10.605 1.00 0.00 H new ATOM 0 HD12 LEU A 40 14.786 4.415 -9.039 1.00 0.00 H new ATOM 0 HD13 LEU A 40 15.378 3.234 -10.231 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.633 2.180 -11.096 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.052 1.174 -10.718 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.510 0.889 -9.877 1.00 0.00 H new ATOM 648 N ASP A 41 14.166 0.866 -4.964 1.00 0.00 N ATOM 649 CA ASP A 41 14.878 0.115 -3.893 1.00 0.00 C ATOM 650 C ASP A 41 13.979 -1.018 -3.396 1.00 0.00 C ATOM 651 O ASP A 41 14.430 -2.119 -3.144 1.00 0.00 O ATOM 652 CB ASP A 41 15.201 1.058 -2.733 1.00 0.00 C ATOM 653 CG ASP A 41 16.602 1.642 -2.923 1.00 0.00 C ATOM 654 OD1 ASP A 41 16.711 2.676 -3.563 1.00 0.00 O ATOM 655 OD2 ASP A 41 17.544 1.045 -2.425 1.00 0.00 O ATOM 0 H ASP A 41 13.793 1.773 -4.685 1.00 0.00 H new ATOM 0 HA ASP A 41 15.806 -0.298 -4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.465 1.860 -2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.145 0.520 -1.787 1.00 0.00 H new ATOM 660 N ILE A 42 12.707 -0.758 -3.260 1.00 0.00 N ATOM 661 CA ILE A 42 11.775 -1.817 -2.787 1.00 0.00 C ATOM 662 C ILE A 42 11.349 -2.681 -3.975 1.00 0.00 C ATOM 663 O ILE A 42 10.977 -3.827 -3.821 1.00 0.00 O ATOM 664 CB ILE A 42 10.541 -1.164 -2.158 1.00 0.00 C ATOM 665 CG1 ILE A 42 10.918 -0.570 -0.799 1.00 0.00 C ATOM 666 CG2 ILE A 42 9.445 -2.215 -1.967 1.00 0.00 C ATOM 667 CD1 ILE A 42 10.960 0.956 -0.903 1.00 0.00 C ATOM 0 H ILE A 42 12.274 0.144 -3.457 1.00 0.00 H new ATOM 0 HA ILE A 42 12.273 -2.440 -2.044 1.00 0.00 H new ATOM 0 HB ILE A 42 10.175 -0.374 -2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.193 -0.874 -0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 42 11.889 -0.950 -0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.568 -1.748 -1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.176 -2.640 -2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.810 -3.006 -1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.228 1.379 0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.702 1.250 -1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.980 1.327 -1.202 1.00 0.00 H new ATOM 679 N VAL A 43 11.401 -2.139 -5.162 1.00 0.00 N ATOM 680 CA VAL A 43 11.001 -2.929 -6.359 1.00 0.00 C ATOM 681 C VAL A 43 12.079 -3.976 -6.656 1.00 0.00 C ATOM 682 O VAL A 43 11.787 -5.095 -7.027 1.00 0.00 O ATOM 683 CB VAL A 43 10.831 -1.983 -7.560 1.00 0.00 C ATOM 684 CG1 VAL A 43 12.182 -1.726 -8.234 1.00 0.00 C ATOM 685 CG2 VAL A 43 9.877 -2.612 -8.574 1.00 0.00 C ATOM 0 H VAL A 43 11.703 -1.184 -5.353 1.00 0.00 H new ATOM 0 HA VAL A 43 10.055 -3.436 -6.172 1.00 0.00 H new ATOM 0 HB VAL A 43 10.425 -1.036 -7.204 1.00 0.00 H new ATOM 0 HG11 VAL A 43 12.044 -1.055 -9.082 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.865 -1.270 -7.518 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.600 -2.670 -8.583 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.757 -1.941 -9.425 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.285 -3.563 -8.916 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.908 -2.781 -8.105 1.00 0.00 H new ATOM 695 N THR A 44 13.324 -3.617 -6.494 1.00 0.00 N ATOM 696 CA THR A 44 14.422 -4.587 -6.763 1.00 0.00 C ATOM 697 C THR A 44 14.746 -5.358 -5.481 1.00 0.00 C ATOM 698 O THR A 44 15.285 -6.446 -5.519 1.00 0.00 O ATOM 699 CB THR A 44 15.665 -3.826 -7.235 1.00 0.00 C ATOM 700 OG1 THR A 44 15.467 -3.382 -8.570 1.00 0.00 O ATOM 701 CG2 THR A 44 16.887 -4.744 -7.179 1.00 0.00 C ATOM 0 H THR A 44 13.627 -2.693 -6.187 1.00 0.00 H new ATOM 0 HA THR A 44 14.110 -5.289 -7.537 1.00 0.00 H new ATOM 0 HB THR A 44 15.831 -2.968 -6.584 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.260 -2.893 -8.873 1.00 0.00 H new ATOM 0 HG21 THR A 44 17.768 -4.198 -7.516 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.040 -5.084 -6.155 1.00 0.00 H new ATOM 0 HG23 THR A 44 16.725 -5.606 -7.827 1.00 0.00 H new ATOM 709 N LYS A 45 14.423 -4.802 -4.344 1.00 0.00 N ATOM 710 CA LYS A 45 14.717 -5.503 -3.063 1.00 0.00 C ATOM 711 C LYS A 45 13.715 -6.643 -2.859 1.00 0.00 C ATOM 712 O LYS A 45 14.089 -7.781 -2.658 1.00 0.00 O ATOM 713 CB LYS A 45 14.604 -4.512 -1.903 1.00 0.00 C ATOM 714 CG LYS A 45 15.909 -3.725 -1.774 1.00 0.00 C ATOM 715 CD LYS A 45 15.733 -2.606 -0.746 1.00 0.00 C ATOM 716 CE LYS A 45 16.711 -1.470 -1.054 1.00 0.00 C ATOM 717 NZ LYS A 45 16.469 -0.339 -0.115 1.00 0.00 N ATOM 0 H LYS A 45 13.969 -3.894 -4.248 1.00 0.00 H new ATOM 0 HA LYS A 45 15.727 -5.911 -3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.771 -3.830 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.395 -5.044 -0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 45 16.718 -4.389 -1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.189 -3.305 -2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.709 -2.234 -0.769 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.910 -2.990 0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.738 -1.823 -0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.584 -1.136 -2.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.777 0.551 -0.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.454 -0.282 0.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.006 -0.495 0.762 1.00 0.00 H new ATOM 731 N GLU A 46 12.445 -6.346 -2.907 1.00 0.00 N ATOM 732 CA GLU A 46 11.424 -7.414 -2.713 1.00 0.00 C ATOM 733 C GLU A 46 11.042 -8.012 -4.068 1.00 0.00 C ATOM 734 O GLU A 46 10.684 -9.169 -4.167 1.00 0.00 O ATOM 735 CB GLU A 46 10.180 -6.815 -2.050 1.00 0.00 C ATOM 736 CG GLU A 46 10.605 -5.891 -0.908 1.00 0.00 C ATOM 737 CD GLU A 46 10.182 -6.505 0.428 1.00 0.00 C ATOM 738 OE1 GLU A 46 10.905 -7.354 0.923 1.00 0.00 O ATOM 739 OE2 GLU A 46 9.143 -6.114 0.934 1.00 0.00 O ATOM 0 H GLU A 46 12.071 -5.412 -3.072 1.00 0.00 H new ATOM 0 HA GLU A 46 11.836 -8.197 -2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.596 -6.259 -2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.539 -7.610 -1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.685 -5.744 -0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.147 -4.909 -1.031 1.00 0.00 H new ATOM 746 N ARG A 47 11.113 -7.233 -5.113 1.00 0.00 N ATOM 747 CA ARG A 47 10.753 -7.759 -6.459 1.00 0.00 C ATOM 748 C ARG A 47 9.237 -7.971 -6.536 1.00 0.00 C ATOM 749 O ARG A 47 8.776 -9.079 -6.726 1.00 0.00 O ATOM 750 CB ARG A 47 11.465 -9.093 -6.693 1.00 0.00 C ATOM 751 CG ARG A 47 12.854 -9.049 -6.055 1.00 0.00 C ATOM 752 CD ARG A 47 13.869 -9.707 -6.993 1.00 0.00 C ATOM 753 NE ARG A 47 14.782 -10.581 -6.203 1.00 0.00 N ATOM 754 CZ ARG A 47 14.346 -11.711 -5.711 1.00 0.00 C ATOM 755 NH1 ARG A 47 13.110 -12.080 -5.909 1.00 0.00 N ATOM 756 NH2 ARG A 47 15.150 -12.472 -5.021 1.00 0.00 N ATOM 0 H ARG A 47 11.405 -6.256 -5.092 1.00 0.00 H new ATOM 0 HA ARG A 47 11.060 -7.044 -7.222 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.882 -9.908 -6.265 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.550 -9.289 -7.762 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.142 -8.017 -5.857 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.841 -9.566 -5.095 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.352 -10.295 -7.751 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.443 -8.944 -7.518 1.00 0.00 H new ATOM 0 HE ARG A 47 15.749 -10.297 -6.046 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.481 -11.486 -6.449 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.773 -12.962 -5.524 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.116 -12.185 -4.866 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.812 -13.354 -4.636 1.00 0.00 H new ATOM 770 N PRO A 48 8.507 -6.895 -6.385 1.00 0.00 N ATOM 771 CA PRO A 48 7.035 -6.921 -6.431 1.00 0.00 C ATOM 772 C PRO A 48 6.546 -7.005 -7.880 1.00 0.00 C ATOM 773 O PRO A 48 7.233 -6.611 -8.802 1.00 0.00 O ATOM 774 CB PRO A 48 6.631 -5.587 -5.796 1.00 0.00 C ATOM 775 CG PRO A 48 7.852 -4.648 -5.942 1.00 0.00 C ATOM 776 CD PRO A 48 9.081 -5.552 -6.154 1.00 0.00 C ATOM 0 HA PRO A 48 6.606 -7.780 -5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.757 -5.168 -6.295 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.366 -5.720 -4.747 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.720 -3.970 -6.785 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.974 -4.031 -5.052 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.677 -5.222 -7.005 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.737 -5.543 -5.283 1.00 0.00 H new ATOM 784 N ASP A 49 5.363 -7.516 -8.087 1.00 0.00 N ATOM 785 CA ASP A 49 4.832 -7.624 -9.475 1.00 0.00 C ATOM 786 C ASP A 49 3.832 -6.494 -9.728 1.00 0.00 C ATOM 787 O ASP A 49 3.389 -6.281 -10.838 1.00 0.00 O ATOM 788 CB ASP A 49 4.130 -8.974 -9.648 1.00 0.00 C ATOM 789 CG ASP A 49 4.971 -9.875 -10.554 1.00 0.00 C ATOM 790 OD1 ASP A 49 5.000 -9.621 -11.747 1.00 0.00 O ATOM 791 OD2 ASP A 49 5.573 -10.802 -10.039 1.00 0.00 O ATOM 0 H ASP A 49 4.742 -7.863 -7.356 1.00 0.00 H new ATOM 0 HA ASP A 49 5.655 -7.547 -10.186 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.987 -9.448 -8.677 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.140 -8.828 -10.080 1.00 0.00 H new ATOM 796 N LEU A 50 3.471 -5.768 -8.705 1.00 0.00 N ATOM 797 CA LEU A 50 2.501 -4.653 -8.888 1.00 0.00 C ATOM 798 C LEU A 50 3.111 -3.353 -8.360 1.00 0.00 C ATOM 799 O LEU A 50 3.392 -3.219 -7.185 1.00 0.00 O ATOM 800 CB LEU A 50 1.216 -4.963 -8.116 1.00 0.00 C ATOM 801 CG LEU A 50 0.058 -4.155 -8.704 1.00 0.00 C ATOM 802 CD1 LEU A 50 -0.411 -4.807 -10.005 1.00 0.00 C ATOM 803 CD2 LEU A 50 -1.099 -4.124 -7.704 1.00 0.00 C ATOM 0 H LEU A 50 3.806 -5.899 -7.751 1.00 0.00 H new ATOM 0 HA LEU A 50 2.271 -4.542 -9.948 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.994 -6.029 -8.171 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.345 -4.719 -7.062 1.00 0.00 H new ATOM 0 HG LEU A 50 0.391 -3.137 -8.908 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.236 -4.231 -10.424 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.413 -4.831 -10.718 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.745 -5.825 -9.802 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.925 -3.549 -8.121 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.432 -5.142 -7.501 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.766 -3.659 -6.776 1.00 0.00 H new ATOM 815 N VAL A 51 3.320 -2.393 -9.218 1.00 0.00 N ATOM 816 CA VAL A 51 3.912 -1.103 -8.764 1.00 0.00 C ATOM 817 C VAL A 51 3.038 0.057 -9.246 1.00 0.00 C ATOM 818 O VAL A 51 2.863 0.266 -10.429 1.00 0.00 O ATOM 819 CB VAL A 51 5.319 -0.955 -9.344 1.00 0.00 C ATOM 820 CG1 VAL A 51 5.967 0.318 -8.798 1.00 0.00 C ATOM 821 CG2 VAL A 51 6.164 -2.168 -8.944 1.00 0.00 C ATOM 0 H VAL A 51 3.106 -2.446 -10.214 1.00 0.00 H new ATOM 0 HA VAL A 51 3.965 -1.091 -7.675 1.00 0.00 H new ATOM 0 HB VAL A 51 5.259 -0.894 -10.431 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.970 0.422 -9.212 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.366 1.182 -9.081 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.028 0.258 -7.711 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.168 -2.064 -9.357 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.223 -2.228 -7.857 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.704 -3.076 -9.333 1.00 0.00 H new ATOM 831 N LEU A 52 2.488 0.815 -8.337 1.00 0.00 N ATOM 832 CA LEU A 52 1.627 1.960 -8.744 1.00 0.00 C ATOM 833 C LEU A 52 2.489 3.214 -8.904 1.00 0.00 C ATOM 834 O LEU A 52 3.117 3.670 -7.969 1.00 0.00 O ATOM 835 CB LEU A 52 0.564 2.206 -7.671 1.00 0.00 C ATOM 836 CG LEU A 52 -0.064 0.873 -7.258 1.00 0.00 C ATOM 837 CD1 LEU A 52 0.226 0.609 -5.780 1.00 0.00 C ATOM 838 CD2 LEU A 52 -1.576 0.935 -7.479 1.00 0.00 C ATOM 0 H LEU A 52 2.598 0.690 -7.331 1.00 0.00 H new ATOM 0 HA LEU A 52 1.140 1.730 -9.692 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.012 2.692 -6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.204 2.879 -8.053 1.00 0.00 H new ATOM 0 HG LEU A 52 0.359 0.068 -7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.221 -0.340 -5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.304 0.567 -5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.198 1.412 -5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.026 -0.014 -7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.999 1.739 -6.877 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.782 1.124 -8.533 1.00 0.00 H new ATOM 850 N LEU A 53 2.525 3.773 -10.082 1.00 0.00 N ATOM 851 CA LEU A 53 3.349 4.995 -10.300 1.00 0.00 C ATOM 852 C LEU A 53 2.435 6.221 -10.365 1.00 0.00 C ATOM 853 O LEU A 53 1.380 6.190 -10.966 1.00 0.00 O ATOM 854 CB LEU A 53 4.119 4.863 -11.616 1.00 0.00 C ATOM 855 CG LEU A 53 5.619 4.821 -11.326 1.00 0.00 C ATOM 856 CD1 LEU A 53 5.929 3.642 -10.402 1.00 0.00 C ATOM 857 CD2 LEU A 53 6.387 4.653 -12.639 1.00 0.00 C ATOM 0 H LEU A 53 2.020 3.437 -10.902 1.00 0.00 H new ATOM 0 HA LEU A 53 4.054 5.110 -9.477 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.813 3.957 -12.139 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.888 5.703 -12.271 1.00 0.00 H new ATOM 0 HG LEU A 53 5.921 5.750 -10.843 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.999 3.613 -10.196 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.382 3.759 -9.466 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.627 2.712 -10.884 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.457 4.623 -12.433 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.084 3.724 -13.121 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.168 5.493 -13.299 1.00 0.00 H new ATOM 869 N ASP A 54 2.831 7.301 -9.749 1.00 0.00 N ATOM 870 CA ASP A 54 1.987 8.526 -9.775 1.00 0.00 C ATOM 871 C ASP A 54 2.714 9.631 -10.542 1.00 0.00 C ATOM 872 O ASP A 54 3.711 10.159 -10.092 1.00 0.00 O ATOM 873 CB ASP A 54 1.719 8.993 -8.342 1.00 0.00 C ATOM 874 CG ASP A 54 0.896 10.282 -8.369 1.00 0.00 C ATOM 875 OD1 ASP A 54 -0.151 10.280 -8.995 1.00 0.00 O ATOM 876 OD2 ASP A 54 1.327 11.250 -7.763 1.00 0.00 O ATOM 0 H ASP A 54 3.704 7.387 -9.228 1.00 0.00 H new ATOM 0 HA ASP A 54 1.041 8.303 -10.268 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.184 8.220 -7.791 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.662 9.162 -7.821 1.00 0.00 H new ATOM 881 N MET A 55 2.225 9.985 -11.699 1.00 0.00 N ATOM 882 CA MET A 55 2.891 11.055 -12.495 1.00 0.00 C ATOM 883 C MET A 55 2.622 12.417 -11.851 1.00 0.00 C ATOM 884 O MET A 55 3.104 13.435 -12.307 1.00 0.00 O ATOM 885 CB MET A 55 2.339 11.048 -13.922 1.00 0.00 C ATOM 886 CG MET A 55 2.619 9.692 -14.571 1.00 0.00 C ATOM 887 SD MET A 55 4.396 9.350 -14.514 1.00 0.00 S ATOM 888 CE MET A 55 4.336 7.700 -15.254 1.00 0.00 C ATOM 0 H MET A 55 1.393 9.580 -12.128 1.00 0.00 H new ATOM 0 HA MET A 55 3.965 10.872 -12.519 1.00 0.00 H new ATOM 0 HB2 MET A 55 1.267 11.242 -13.909 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.800 11.845 -14.506 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.070 8.907 -14.050 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.271 9.693 -15.604 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.345 7.292 -15.316 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.718 7.047 -14.637 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.909 7.765 -16.255 1.00 0.00 H new ATOM 898 N LYS A 56 1.854 12.447 -10.794 1.00 0.00 N ATOM 899 CA LYS A 56 1.557 13.744 -10.126 1.00 0.00 C ATOM 900 C LYS A 56 2.673 14.076 -9.133 1.00 0.00 C ATOM 901 O LYS A 56 2.538 14.955 -8.306 1.00 0.00 O ATOM 902 CB LYS A 56 0.225 13.641 -9.380 1.00 0.00 C ATOM 903 CG LYS A 56 -0.929 13.722 -10.381 1.00 0.00 C ATOM 904 CD LYS A 56 -0.795 15.000 -11.212 1.00 0.00 C ATOM 905 CE LYS A 56 -2.122 15.293 -11.914 1.00 0.00 C ATOM 906 NZ LYS A 56 -2.408 16.755 -11.844 1.00 0.00 N ATOM 0 H LYS A 56 1.421 11.629 -10.366 1.00 0.00 H new ATOM 0 HA LYS A 56 1.493 14.532 -10.877 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.177 12.702 -8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.143 14.445 -8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.921 12.849 -11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.883 13.717 -9.854 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.518 15.836 -10.570 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.001 14.886 -11.948 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.075 14.970 -12.954 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.928 14.731 -11.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.310 16.955 -12.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.470 17.049 -10.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.644 17.281 -12.314 1.00 0.00 H new ATOM 920 N ILE A 57 3.774 13.380 -9.208 1.00 0.00 N ATOM 921 CA ILE A 57 4.897 13.656 -8.266 1.00 0.00 C ATOM 922 C ILE A 57 5.660 14.904 -8.733 1.00 0.00 C ATOM 923 O ILE A 57 6.272 14.891 -9.783 1.00 0.00 O ATOM 924 CB ILE A 57 5.850 12.458 -8.252 1.00 0.00 C ATOM 925 CG1 ILE A 57 5.149 11.260 -7.607 1.00 0.00 C ATOM 926 CG2 ILE A 57 7.102 12.810 -7.446 1.00 0.00 C ATOM 927 CD1 ILE A 57 6.130 10.090 -7.503 1.00 0.00 C ATOM 0 H ILE A 57 3.945 12.632 -9.880 1.00 0.00 H new ATOM 0 HA ILE A 57 4.501 13.823 -7.264 1.00 0.00 H new ATOM 0 HB ILE A 57 6.135 12.208 -9.274 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.782 11.530 -6.617 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.282 10.970 -8.200 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.780 11.957 -7.436 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.601 13.665 -7.903 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.818 13.060 -6.424 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.631 9.237 -7.044 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.475 9.815 -8.500 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.983 10.384 -6.892 1.00 0.00 H new ATOM 939 N PRO A 58 5.602 15.949 -7.942 1.00 0.00 N ATOM 940 CA PRO A 58 6.283 17.216 -8.258 1.00 0.00 C ATOM 941 C PRO A 58 7.779 17.110 -7.945 1.00 0.00 C ATOM 942 O PRO A 58 8.184 17.104 -6.800 1.00 0.00 O ATOM 943 CB PRO A 58 5.604 18.230 -7.333 1.00 0.00 C ATOM 944 CG PRO A 58 4.997 17.416 -6.167 1.00 0.00 C ATOM 945 CD PRO A 58 4.858 15.966 -6.666 1.00 0.00 C ATOM 0 HA PRO A 58 6.210 17.491 -9.310 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.323 18.961 -6.964 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.830 18.784 -7.865 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.639 17.463 -5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.027 17.820 -5.876 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.276 15.257 -5.952 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.813 15.693 -6.811 1.00 0.00 H new ATOM 953 N GLY A 59 8.601 17.029 -8.954 1.00 0.00 N ATOM 954 CA GLY A 59 10.069 16.924 -8.713 1.00 0.00 C ATOM 955 C GLY A 59 10.736 16.243 -9.909 1.00 0.00 C ATOM 956 O GLY A 59 11.774 16.666 -10.378 1.00 0.00 O ATOM 0 H GLY A 59 8.321 17.031 -9.935 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.495 17.916 -8.562 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.259 16.353 -7.804 1.00 0.00 H new ATOM 960 N MET A 60 10.150 15.188 -10.407 1.00 0.00 N ATOM 961 CA MET A 60 10.752 14.482 -11.571 1.00 0.00 C ATOM 962 C MET A 60 9.675 13.654 -12.277 1.00 0.00 C ATOM 963 O MET A 60 8.622 13.393 -11.732 1.00 0.00 O ATOM 964 CB MET A 60 11.873 13.558 -11.086 1.00 0.00 C ATOM 965 CG MET A 60 11.272 12.370 -10.329 1.00 0.00 C ATOM 966 SD MET A 60 10.613 12.936 -8.742 1.00 0.00 S ATOM 967 CE MET A 60 9.481 11.552 -8.460 1.00 0.00 C ATOM 0 H MET A 60 9.280 14.785 -10.057 1.00 0.00 H new ATOM 0 HA MET A 60 11.163 15.213 -12.267 1.00 0.00 H new ATOM 0 HB2 MET A 60 12.457 13.203 -11.935 1.00 0.00 H new ATOM 0 HB3 MET A 60 12.555 14.107 -10.437 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.480 11.911 -10.921 1.00 0.00 H new ATOM 0 HG3 MET A 60 12.032 11.606 -10.167 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.133 11.572 -7.427 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.628 11.637 -9.133 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.000 10.613 -8.650 1.00 0.00 H new ATOM 977 N ASP A 61 9.931 13.239 -13.488 1.00 0.00 N ATOM 978 CA ASP A 61 8.923 12.429 -14.227 1.00 0.00 C ATOM 979 C ASP A 61 9.152 10.943 -13.943 1.00 0.00 C ATOM 980 O ASP A 61 10.272 10.496 -13.791 1.00 0.00 O ATOM 981 CB ASP A 61 9.062 12.688 -15.729 1.00 0.00 C ATOM 982 CG ASP A 61 8.513 14.077 -16.061 1.00 0.00 C ATOM 983 OD1 ASP A 61 8.019 14.729 -15.156 1.00 0.00 O ATOM 984 OD2 ASP A 61 8.595 14.465 -17.215 1.00 0.00 O ATOM 0 H ASP A 61 10.795 13.426 -13.997 1.00 0.00 H new ATOM 0 HA ASP A 61 7.922 12.711 -13.900 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.109 12.619 -16.025 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.521 11.927 -16.291 1.00 0.00 H new ATOM 989 N GLY A 62 8.101 10.174 -13.869 1.00 0.00 N ATOM 990 CA GLY A 62 8.260 8.719 -13.595 1.00 0.00 C ATOM 991 C GLY A 62 8.473 7.968 -14.912 1.00 0.00 C ATOM 992 O GLY A 62 8.649 6.766 -14.930 1.00 0.00 O ATOM 0 H GLY A 62 7.139 10.491 -13.987 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.108 8.555 -12.930 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.376 8.336 -13.085 1.00 0.00 H new ATOM 996 N ILE A 63 8.459 8.666 -16.015 1.00 0.00 N ATOM 997 CA ILE A 63 8.662 7.988 -17.326 1.00 0.00 C ATOM 998 C ILE A 63 9.942 7.153 -17.275 1.00 0.00 C ATOM 999 O ILE A 63 9.940 5.975 -17.576 1.00 0.00 O ATOM 1000 CB ILE A 63 8.783 9.040 -18.430 1.00 0.00 C ATOM 1001 CG1 ILE A 63 7.413 9.676 -18.680 1.00 0.00 C ATOM 1002 CG2 ILE A 63 9.279 8.377 -19.716 1.00 0.00 C ATOM 1003 CD1 ILE A 63 6.502 8.667 -19.383 1.00 0.00 C ATOM 0 H ILE A 63 8.316 9.675 -16.065 1.00 0.00 H new ATOM 0 HA ILE A 63 7.812 7.338 -17.535 1.00 0.00 H new ATOM 0 HB ILE A 63 9.491 9.809 -18.122 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.967 9.988 -17.735 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.522 10.571 -19.292 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.365 9.127 -20.502 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.254 7.924 -19.539 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.572 7.607 -20.025 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.527 9.120 -19.561 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.947 8.377 -20.335 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.383 7.785 -18.754 1.00 0.00 H new ATOM 1015 N GLU A 64 11.037 7.751 -16.894 1.00 0.00 N ATOM 1016 CA GLU A 64 12.317 6.990 -16.823 1.00 0.00 C ATOM 1017 C GLU A 64 12.174 5.850 -15.813 1.00 0.00 C ATOM 1018 O GLU A 64 12.837 4.836 -15.910 1.00 0.00 O ATOM 1019 CB GLU A 64 13.443 7.927 -16.381 1.00 0.00 C ATOM 1020 CG GLU A 64 12.922 8.880 -15.303 1.00 0.00 C ATOM 1021 CD GLU A 64 14.102 9.465 -14.525 1.00 0.00 C ATOM 1022 OE1 GLU A 64 14.976 8.702 -14.151 1.00 0.00 O ATOM 1023 OE2 GLU A 64 14.111 10.667 -14.316 1.00 0.00 O ATOM 0 H GLU A 64 11.101 8.734 -16.629 1.00 0.00 H new ATOM 0 HA GLU A 64 12.552 6.579 -17.805 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.282 7.348 -15.995 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.814 8.495 -17.234 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.342 9.681 -15.761 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.253 8.349 -14.625 1.00 0.00 H new ATOM 1030 N ILE A 65 11.315 6.008 -14.845 1.00 0.00 N ATOM 1031 CA ILE A 65 11.130 4.932 -13.830 1.00 0.00 C ATOM 1032 C ILE A 65 10.595 3.673 -14.514 1.00 0.00 C ATOM 1033 O ILE A 65 11.265 2.662 -14.586 1.00 0.00 O ATOM 1034 CB ILE A 65 10.132 5.400 -12.769 1.00 0.00 C ATOM 1035 CG1 ILE A 65 10.676 6.650 -12.072 1.00 0.00 C ATOM 1036 CG2 ILE A 65 9.929 4.291 -11.735 1.00 0.00 C ATOM 1037 CD1 ILE A 65 9.802 6.982 -10.862 1.00 0.00 C ATOM 0 H ILE A 65 10.733 6.835 -14.712 1.00 0.00 H new ATOM 0 HA ILE A 65 12.086 4.709 -13.357 1.00 0.00 H new ATOM 0 HB ILE A 65 9.180 5.633 -13.245 1.00 0.00 H new ATOM 0 HG12 ILE A 65 11.706 6.483 -11.755 1.00 0.00 H new ATOM 0 HG13 ILE A 65 10.688 7.490 -12.766 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.218 4.624 -10.979 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.542 3.399 -12.229 1.00 0.00 H new ATOM 0 HG23 ILE A 65 10.882 4.058 -11.259 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.190 7.872 -10.366 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.780 7.167 -11.191 1.00 0.00 H new ATOM 0 HD13 ILE A 65 9.813 6.144 -10.165 1.00 0.00 H new ATOM 1049 N LEU A 66 9.392 3.725 -15.017 1.00 0.00 N ATOM 1050 CA LEU A 66 8.816 2.530 -15.696 1.00 0.00 C ATOM 1051 C LEU A 66 9.854 1.937 -16.651 1.00 0.00 C ATOM 1052 O LEU A 66 9.825 0.763 -16.962 1.00 0.00 O ATOM 1053 CB LEU A 66 7.572 2.942 -16.486 1.00 0.00 C ATOM 1054 CG LEU A 66 6.373 3.037 -15.540 1.00 0.00 C ATOM 1055 CD1 LEU A 66 5.107 3.329 -16.346 1.00 0.00 C ATOM 1056 CD2 LEU A 66 6.207 1.711 -14.795 1.00 0.00 C ATOM 0 H LEU A 66 8.783 4.543 -14.987 1.00 0.00 H new ATOM 0 HA LEU A 66 8.541 1.785 -14.949 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.740 3.902 -16.974 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.371 2.215 -17.273 1.00 0.00 H new ATOM 0 HG LEU A 66 6.540 3.841 -14.823 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.254 3.396 -15.671 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.224 4.273 -16.878 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.939 2.526 -17.064 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.353 1.777 -14.121 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.041 0.908 -15.513 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.109 1.502 -14.219 1.00 0.00 H new ATOM 1068 N LYS A 67 10.769 2.739 -17.120 1.00 0.00 N ATOM 1069 CA LYS A 67 11.807 2.220 -18.055 1.00 0.00 C ATOM 1070 C LYS A 67 12.739 1.266 -17.305 1.00 0.00 C ATOM 1071 O LYS A 67 12.854 0.104 -17.642 1.00 0.00 O ATOM 1072 CB LYS A 67 12.619 3.390 -18.615 1.00 0.00 C ATOM 1073 CG LYS A 67 12.747 3.242 -20.133 1.00 0.00 C ATOM 1074 CD LYS A 67 13.837 2.220 -20.457 1.00 0.00 C ATOM 1075 CE LYS A 67 13.634 1.690 -21.878 1.00 0.00 C ATOM 1076 NZ LYS A 67 13.850 2.794 -22.855 1.00 0.00 N ATOM 0 H LYS A 67 10.843 3.731 -16.896 1.00 0.00 H new ATOM 0 HA LYS A 67 11.324 1.687 -18.874 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.132 4.334 -18.371 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.608 3.413 -18.156 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.796 2.922 -20.559 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.991 4.204 -20.583 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.821 2.681 -20.366 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.803 1.398 -19.742 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.329 0.874 -22.076 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.628 1.286 -21.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.897 2.402 -23.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.062 3.470 -22.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.742 3.282 -22.636 1.00 0.00 H new ATOM 1090 N ARG A 68 13.405 1.746 -16.291 1.00 0.00 N ATOM 1091 CA ARG A 68 14.329 0.865 -15.522 1.00 0.00 C ATOM 1092 C ARG A 68 13.558 -0.350 -15.001 1.00 0.00 C ATOM 1093 O ARG A 68 14.111 -1.418 -14.822 1.00 0.00 O ATOM 1094 CB ARG A 68 14.909 1.644 -14.340 1.00 0.00 C ATOM 1095 CG ARG A 68 16.433 1.711 -14.473 1.00 0.00 C ATOM 1096 CD ARG A 68 16.844 3.113 -14.928 1.00 0.00 C ATOM 1097 NE ARG A 68 17.593 3.791 -13.833 1.00 0.00 N ATOM 1098 CZ ARG A 68 18.790 3.384 -13.506 1.00 0.00 C ATOM 1099 NH1 ARG A 68 19.338 2.381 -14.137 1.00 0.00 N ATOM 1100 NH2 ARG A 68 19.441 3.983 -12.546 1.00 0.00 N ATOM 0 H ARG A 68 13.349 2.710 -15.962 1.00 0.00 H new ATOM 0 HA ARG A 68 15.139 0.532 -16.171 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.491 2.650 -14.313 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.636 1.160 -13.402 1.00 0.00 H new ATOM 0 HG2 ARG A 68 16.903 1.475 -13.518 1.00 0.00 H new ATOM 0 HG3 ARG A 68 16.779 0.968 -15.191 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.464 3.050 -15.822 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.961 3.694 -15.193 1.00 0.00 H new ATOM 0 HE ARG A 68 17.170 4.575 -13.337 1.00 0.00 H new ATOM 0 HH11 ARG A 68 18.831 1.913 -14.888 1.00 0.00 H new ATOM 0 HH12 ARG A 68 20.273 2.066 -13.879 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.015 4.767 -12.053 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.376 3.667 -12.289 1.00 0.00 H new ATOM 1114 N MET A 69 12.286 -0.199 -14.757 1.00 0.00 N ATOM 1115 CA MET A 69 11.481 -1.346 -14.248 1.00 0.00 C ATOM 1116 C MET A 69 11.430 -2.445 -15.313 1.00 0.00 C ATOM 1117 O MET A 69 11.904 -3.544 -15.106 1.00 0.00 O ATOM 1118 CB MET A 69 10.061 -0.873 -13.935 1.00 0.00 C ATOM 1119 CG MET A 69 10.119 0.315 -12.972 1.00 0.00 C ATOM 1120 SD MET A 69 9.934 -0.278 -11.272 1.00 0.00 S ATOM 1121 CE MET A 69 8.930 1.098 -10.660 1.00 0.00 C ATOM 0 H MET A 69 11.768 0.670 -14.888 1.00 0.00 H new ATOM 0 HA MET A 69 11.941 -1.739 -13.341 1.00 0.00 H new ATOM 0 HB2 MET A 69 9.551 -0.585 -14.854 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.485 -1.686 -13.492 1.00 0.00 H new ATOM 0 HG2 MET A 69 11.067 0.842 -13.084 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.329 1.027 -13.208 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.620 0.894 -9.635 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.517 2.016 -10.686 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.048 1.213 -11.290 1.00 0.00 H new ATOM 1131 N LYS A 70 10.860 -2.156 -16.450 1.00 0.00 N ATOM 1132 CA LYS A 70 10.779 -3.184 -17.525 1.00 0.00 C ATOM 1133 C LYS A 70 12.170 -3.767 -17.777 1.00 0.00 C ATOM 1134 O LYS A 70 12.327 -4.952 -18.000 1.00 0.00 O ATOM 1135 CB LYS A 70 10.256 -2.538 -18.810 1.00 0.00 C ATOM 1136 CG LYS A 70 11.058 -1.270 -19.108 1.00 0.00 C ATOM 1137 CD LYS A 70 10.522 -0.613 -20.381 1.00 0.00 C ATOM 1138 CE LYS A 70 9.164 0.030 -20.092 1.00 0.00 C ATOM 1139 NZ LYS A 70 8.729 0.826 -21.274 1.00 0.00 N ATOM 0 H LYS A 70 10.447 -1.252 -16.681 1.00 0.00 H new ATOM 0 HA LYS A 70 10.101 -3.980 -17.217 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.340 -3.238 -19.641 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.199 -2.295 -18.703 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.986 -0.576 -18.270 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.113 -1.515 -19.229 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.224 0.141 -20.737 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.423 -1.356 -21.172 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.426 -0.740 -19.867 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.233 0.672 -19.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.690 1.833 -21.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.407 0.692 -22.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.786 0.509 -21.578 1.00 0.00 H new ATOM 1153 N VAL A 71 13.184 -2.945 -17.744 1.00 0.00 N ATOM 1154 CA VAL A 71 14.564 -3.454 -17.982 1.00 0.00 C ATOM 1155 C VAL A 71 14.895 -4.532 -16.949 1.00 0.00 C ATOM 1156 O VAL A 71 15.499 -5.540 -17.259 1.00 0.00 O ATOM 1157 CB VAL A 71 15.560 -2.302 -17.853 1.00 0.00 C ATOM 1158 CG1 VAL A 71 16.987 -2.843 -17.974 1.00 0.00 C ATOM 1159 CG2 VAL A 71 15.308 -1.283 -18.967 1.00 0.00 C ATOM 0 H VAL A 71 13.116 -1.944 -17.563 1.00 0.00 H new ATOM 0 HA VAL A 71 14.627 -3.879 -18.984 1.00 0.00 H new ATOM 0 HB VAL A 71 15.434 -1.821 -16.883 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.697 -2.021 -17.882 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.169 -3.570 -17.182 1.00 0.00 H new ATOM 0 HG13 VAL A 71 17.113 -3.324 -18.944 1.00 0.00 H new ATOM 0 HG21 VAL A 71 16.018 -0.461 -18.876 1.00 0.00 H new ATOM 0 HG22 VAL A 71 15.434 -1.765 -19.936 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.292 -0.896 -18.883 1.00 0.00 H new ATOM 1169 N ILE A 72 14.503 -4.329 -15.720 1.00 0.00 N ATOM 1170 CA ILE A 72 14.796 -5.343 -14.667 1.00 0.00 C ATOM 1171 C ILE A 72 13.882 -6.555 -14.859 1.00 0.00 C ATOM 1172 O ILE A 72 14.210 -7.658 -14.468 1.00 0.00 O ATOM 1173 CB ILE A 72 14.548 -4.730 -13.287 1.00 0.00 C ATOM 1174 CG1 ILE A 72 15.440 -3.499 -13.110 1.00 0.00 C ATOM 1175 CG2 ILE A 72 14.879 -5.759 -12.205 1.00 0.00 C ATOM 1176 CD1 ILE A 72 14.736 -2.484 -12.207 1.00 0.00 C ATOM 0 H ILE A 72 13.993 -3.506 -15.400 1.00 0.00 H new ATOM 0 HA ILE A 72 15.837 -5.657 -14.743 1.00 0.00 H new ATOM 0 HB ILE A 72 13.502 -4.437 -13.201 1.00 0.00 H new ATOM 0 HG12 ILE A 72 16.396 -3.789 -12.673 1.00 0.00 H new ATOM 0 HG13 ILE A 72 15.656 -3.051 -14.080 1.00 0.00 H new ATOM 0 HG21 ILE A 72 14.703 -5.323 -11.222 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.245 -6.637 -12.332 1.00 0.00 H new ATOM 0 HG23 ILE A 72 15.926 -6.052 -12.289 1.00 0.00 H new ATOM 0 HD11 ILE A 72 15.371 -1.607 -12.081 1.00 0.00 H new ATOM 0 HD12 ILE A 72 13.792 -2.186 -12.662 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.543 -2.935 -11.234 1.00 0.00 H new ATOM 1188 N ASP A 73 12.740 -6.361 -15.458 1.00 0.00 N ATOM 1189 CA ASP A 73 11.807 -7.503 -15.674 1.00 0.00 C ATOM 1190 C ASP A 73 10.631 -7.045 -16.538 1.00 0.00 C ATOM 1191 O ASP A 73 10.126 -5.950 -16.386 1.00 0.00 O ATOM 1192 CB ASP A 73 11.286 -7.996 -14.322 1.00 0.00 C ATOM 1193 CG ASP A 73 11.824 -9.403 -14.050 1.00 0.00 C ATOM 1194 OD1 ASP A 73 12.967 -9.508 -13.636 1.00 0.00 O ATOM 1195 OD2 ASP A 73 11.085 -10.350 -14.259 1.00 0.00 O ATOM 0 H ASP A 73 12.412 -5.461 -15.808 1.00 0.00 H new ATOM 0 HA ASP A 73 12.333 -8.313 -16.179 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.599 -7.316 -13.530 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.196 -8.006 -14.322 1.00 0.00 H new ATOM 1200 N GLU A 74 10.192 -7.873 -17.445 1.00 0.00 N ATOM 1201 CA GLU A 74 9.048 -7.484 -18.319 1.00 0.00 C ATOM 1202 C GLU A 74 7.735 -7.906 -17.657 1.00 0.00 C ATOM 1203 O GLU A 74 6.673 -7.429 -18.003 1.00 0.00 O ATOM 1204 CB GLU A 74 9.183 -8.180 -19.675 1.00 0.00 C ATOM 1205 CG GLU A 74 9.934 -7.266 -20.645 1.00 0.00 C ATOM 1206 CD GLU A 74 11.142 -8.010 -21.216 1.00 0.00 C ATOM 1207 OE1 GLU A 74 10.997 -9.180 -21.531 1.00 0.00 O ATOM 1208 OE2 GLU A 74 12.191 -7.398 -21.330 1.00 0.00 O ATOM 0 H GLU A 74 10.575 -8.802 -17.619 1.00 0.00 H new ATOM 0 HA GLU A 74 9.051 -6.404 -18.464 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.717 -9.123 -19.560 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.197 -8.419 -20.073 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.272 -6.952 -21.452 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.260 -6.362 -20.131 1.00 0.00 H new ATOM 1215 N ASN A 75 7.799 -8.800 -16.707 1.00 0.00 N ATOM 1216 CA ASN A 75 6.553 -9.251 -16.025 1.00 0.00 C ATOM 1217 C ASN A 75 6.228 -8.296 -14.875 1.00 0.00 C ATOM 1218 O ASN A 75 5.375 -8.567 -14.052 1.00 0.00 O ATOM 1219 CB ASN A 75 6.757 -10.663 -15.473 1.00 0.00 C ATOM 1220 CG ASN A 75 6.458 -11.688 -16.569 1.00 0.00 C ATOM 1221 OD1 ASN A 75 5.410 -12.304 -16.571 1.00 0.00 O ATOM 1222 ND2 ASN A 75 7.340 -11.899 -17.507 1.00 0.00 N ATOM 0 H ASN A 75 8.659 -9.236 -16.375 1.00 0.00 H new ATOM 0 HA ASN A 75 5.729 -9.255 -16.738 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.781 -10.782 -15.119 1.00 0.00 H new ATOM 0 HB3 ASN A 75 6.102 -10.828 -14.617 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.150 -12.581 -18.242 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.219 -11.382 -17.506 1.00 0.00 H new ATOM 1229 N ILE A 76 6.900 -7.180 -14.810 1.00 0.00 N ATOM 1230 CA ILE A 76 6.628 -6.209 -13.712 1.00 0.00 C ATOM 1231 C ILE A 76 5.414 -5.352 -14.078 1.00 0.00 C ATOM 1232 O ILE A 76 5.490 -4.478 -14.918 1.00 0.00 O ATOM 1233 CB ILE A 76 7.848 -5.307 -13.516 1.00 0.00 C ATOM 1234 CG1 ILE A 76 7.601 -4.367 -12.334 1.00 0.00 C ATOM 1235 CG2 ILE A 76 8.081 -4.481 -14.783 1.00 0.00 C ATOM 1236 CD1 ILE A 76 8.098 -5.026 -11.045 1.00 0.00 C ATOM 0 H ILE A 76 7.626 -6.898 -15.469 1.00 0.00 H new ATOM 0 HA ILE A 76 6.425 -6.752 -12.789 1.00 0.00 H new ATOM 0 HB ILE A 76 8.726 -5.921 -13.316 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.118 -3.421 -12.494 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.538 -4.140 -12.252 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.950 -3.838 -14.644 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.255 -5.149 -15.626 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.203 -3.866 -14.983 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.922 -4.357 -10.203 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.561 -5.961 -10.884 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.165 -5.231 -11.129 1.00 0.00 H new ATOM 1248 N ARG A 77 4.294 -5.597 -13.454 1.00 0.00 N ATOM 1249 CA ARG A 77 3.077 -4.797 -13.767 1.00 0.00 C ATOM 1250 C ARG A 77 3.177 -3.428 -13.090 1.00 0.00 C ATOM 1251 O ARG A 77 3.846 -3.268 -12.089 1.00 0.00 O ATOM 1252 CB ARG A 77 1.837 -5.530 -13.252 1.00 0.00 C ATOM 1253 CG ARG A 77 1.756 -6.914 -13.899 1.00 0.00 C ATOM 1254 CD ARG A 77 1.407 -7.956 -12.834 1.00 0.00 C ATOM 1255 NE ARG A 77 2.166 -9.210 -13.099 1.00 0.00 N ATOM 1256 CZ ARG A 77 1.791 -10.333 -12.547 1.00 0.00 C ATOM 1257 NH1 ARG A 77 0.749 -10.363 -11.760 1.00 0.00 N ATOM 1258 NH2 ARG A 77 2.458 -11.429 -12.784 1.00 0.00 N ATOM 0 H ARG A 77 4.170 -6.316 -12.741 1.00 0.00 H new ATOM 0 HA ARG A 77 2.999 -4.664 -14.846 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.883 -5.626 -12.167 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.940 -4.956 -13.483 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.001 -6.916 -14.686 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.707 -7.164 -14.369 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.650 -7.574 -11.843 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.336 -8.157 -12.844 1.00 0.00 H new ATOM 0 HE ARG A 77 2.980 -9.192 -13.713 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.225 -9.508 -11.575 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.459 -11.242 -11.331 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.271 -11.408 -13.400 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.166 -12.307 -12.354 1.00 0.00 H new ATOM 1272 N VAL A 78 2.517 -2.440 -13.629 1.00 0.00 N ATOM 1273 CA VAL A 78 2.577 -1.084 -13.015 1.00 0.00 C ATOM 1274 C VAL A 78 1.240 -0.368 -13.223 1.00 0.00 C ATOM 1275 O VAL A 78 0.793 -0.178 -14.338 1.00 0.00 O ATOM 1276 CB VAL A 78 3.694 -0.274 -13.673 1.00 0.00 C ATOM 1277 CG1 VAL A 78 3.825 1.080 -12.974 1.00 0.00 C ATOM 1278 CG2 VAL A 78 5.015 -1.038 -13.553 1.00 0.00 C ATOM 0 H VAL A 78 1.940 -2.513 -14.467 1.00 0.00 H new ATOM 0 HA VAL A 78 2.777 -1.179 -11.948 1.00 0.00 H new ATOM 0 HB VAL A 78 3.457 -0.117 -14.725 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.622 1.657 -13.444 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.885 1.625 -13.058 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.062 0.925 -11.921 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.813 -0.462 -14.022 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.251 -1.194 -12.500 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.924 -2.003 -14.051 1.00 0.00 H new ATOM 1288 N ILE A 79 0.597 0.029 -12.160 1.00 0.00 N ATOM 1289 CA ILE A 79 -0.710 0.733 -12.297 1.00 0.00 C ATOM 1290 C ILE A 79 -0.485 2.244 -12.220 1.00 0.00 C ATOM 1291 O ILE A 79 0.052 2.751 -11.255 1.00 0.00 O ATOM 1292 CB ILE A 79 -1.645 0.298 -11.169 1.00 0.00 C ATOM 1293 CG1 ILE A 79 -1.405 -1.178 -10.849 1.00 0.00 C ATOM 1294 CG2 ILE A 79 -3.099 0.495 -11.603 1.00 0.00 C ATOM 1295 CD1 ILE A 79 -1.942 -2.034 -11.992 1.00 0.00 C ATOM 0 H ILE A 79 0.920 -0.103 -11.202 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.160 0.481 -13.257 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.447 0.900 -10.282 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.340 -1.363 -10.709 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.900 -1.445 -9.915 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.764 0.184 -10.798 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.271 1.547 -11.831 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.298 -0.106 -12.490 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.773 -3.087 -11.768 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.011 -1.855 -12.110 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.426 -1.772 -12.916 1.00 0.00 H new ATOM 1307 N ILE A 80 -0.889 2.967 -13.228 1.00 0.00 N ATOM 1308 CA ILE A 80 -0.695 4.446 -13.209 1.00 0.00 C ATOM 1309 C ILE A 80 -1.918 5.108 -12.572 1.00 0.00 C ATOM 1310 O ILE A 80 -3.040 4.885 -12.980 1.00 0.00 O ATOM 1311 CB ILE A 80 -0.522 4.974 -14.640 1.00 0.00 C ATOM 1312 CG1 ILE A 80 -0.076 3.836 -15.567 1.00 0.00 C ATOM 1313 CG2 ILE A 80 0.538 6.078 -14.645 1.00 0.00 C ATOM 1314 CD1 ILE A 80 0.416 4.415 -16.896 1.00 0.00 C ATOM 0 H ILE A 80 -1.344 2.599 -14.063 1.00 0.00 H new ATOM 0 HA ILE A 80 0.199 4.681 -12.631 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.473 5.372 -14.995 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.719 3.259 -15.094 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.905 3.151 -15.743 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.665 6.456 -15.659 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.220 6.891 -13.992 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.485 5.674 -14.287 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.732 3.604 -17.552 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.391 4.972 -17.371 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.258 5.082 -16.713 1.00 0.00 H new ATOM 1326 N MET A 81 -1.713 5.920 -11.571 1.00 0.00 N ATOM 1327 CA MET A 81 -2.866 6.593 -10.909 1.00 0.00 C ATOM 1328 C MET A 81 -2.971 8.037 -11.406 1.00 0.00 C ATOM 1329 O MET A 81 -2.988 8.970 -10.629 1.00 0.00 O ATOM 1330 CB MET A 81 -2.660 6.592 -9.392 1.00 0.00 C ATOM 1331 CG MET A 81 -1.878 5.342 -8.979 1.00 0.00 C ATOM 1332 SD MET A 81 -2.262 4.931 -7.260 1.00 0.00 S ATOM 1333 CE MET A 81 -0.847 5.769 -6.505 1.00 0.00 C ATOM 0 H MET A 81 -0.797 6.146 -11.183 1.00 0.00 H new ATOM 0 HA MET A 81 -3.783 6.057 -11.152 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.119 7.488 -9.088 1.00 0.00 H new ATOM 0 HB3 MET A 81 -3.624 6.614 -8.884 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.136 4.507 -9.630 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.808 5.516 -9.092 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.441 5.149 -5.705 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.078 5.937 -7.259 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.168 6.727 -6.095 1.00 0.00 H new ATOM 1343 N THR A 82 -3.040 8.227 -12.695 1.00 0.00 N ATOM 1344 CA THR A 82 -3.142 9.612 -13.237 1.00 0.00 C ATOM 1345 C THR A 82 -3.491 9.552 -14.726 1.00 0.00 C ATOM 1346 O THR A 82 -2.787 10.088 -15.559 1.00 0.00 O ATOM 1347 CB THR A 82 -1.804 10.332 -13.055 1.00 0.00 C ATOM 1348 OG1 THR A 82 -1.958 11.706 -13.381 1.00 0.00 O ATOM 1349 CG2 THR A 82 -0.754 9.702 -13.972 1.00 0.00 C ATOM 0 H THR A 82 -3.030 7.485 -13.395 1.00 0.00 H new ATOM 0 HA THR A 82 -3.921 10.155 -12.702 1.00 0.00 H new ATOM 0 HB THR A 82 -1.480 10.239 -12.018 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.178 11.794 -14.332 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.198 10.216 -13.841 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.636 8.648 -13.719 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.076 9.792 -15.010 1.00 0.00 H new ATOM 1357 N ALA A 83 -4.570 8.903 -15.067 1.00 0.00 N ATOM 1358 CA ALA A 83 -4.961 8.810 -16.502 1.00 0.00 C ATOM 1359 C ALA A 83 -5.133 10.217 -17.078 1.00 0.00 C ATOM 1360 O ALA A 83 -4.699 10.506 -18.175 1.00 0.00 O ATOM 1361 CB ALA A 83 -6.280 8.044 -16.622 1.00 0.00 C ATOM 0 H ALA A 83 -5.198 8.433 -14.414 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.184 8.285 -17.057 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.567 7.976 -17.671 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.157 7.041 -16.213 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.057 8.569 -16.067 1.00 0.00 H new ATOM 1458 N ILE A 90 2.493 6.968 -21.752 1.00 0.00 N ATOM 1459 CA ILE A 90 1.392 6.373 -20.937 1.00 0.00 C ATOM 1460 C ILE A 90 0.393 5.690 -21.880 1.00 0.00 C ATOM 1461 O ILE A 90 0.015 4.553 -21.682 1.00 0.00 O ATOM 1462 CB ILE A 90 0.701 7.477 -20.104 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -0.780 7.141 -19.874 1.00 0.00 C ATOM 1464 CG2 ILE A 90 0.797 8.819 -20.825 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -1.479 8.339 -19.228 1.00 0.00 C ATOM 0 HA ILE A 90 1.793 5.631 -20.246 1.00 0.00 H new ATOM 0 HB ILE A 90 1.209 7.537 -19.141 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.259 6.894 -20.821 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.870 6.264 -19.233 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.307 9.588 -20.228 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.845 9.082 -20.966 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.308 8.746 -21.796 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.530 8.102 -19.064 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.005 8.565 -18.273 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.400 9.204 -19.886 1.00 0.00 H new ATOM 1477 N GLN A 91 -0.035 6.379 -22.903 1.00 0.00 N ATOM 1478 CA GLN A 91 -1.007 5.774 -23.854 1.00 0.00 C ATOM 1479 C GLN A 91 -0.413 4.498 -24.453 1.00 0.00 C ATOM 1480 O GLN A 91 -1.096 3.510 -24.636 1.00 0.00 O ATOM 1481 CB GLN A 91 -1.309 6.770 -24.976 1.00 0.00 C ATOM 1482 CG GLN A 91 -2.807 6.747 -25.290 1.00 0.00 C ATOM 1483 CD GLN A 91 -3.042 5.989 -26.598 1.00 0.00 C ATOM 1484 OE1 GLN A 91 -2.125 5.784 -27.368 1.00 0.00 O ATOM 1485 NE2 GLN A 91 -4.241 5.561 -26.883 1.00 0.00 N ATOM 0 H GLN A 91 0.247 7.335 -23.120 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.928 5.531 -23.324 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -1.005 7.773 -24.678 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.736 6.515 -25.867 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.353 6.268 -24.477 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -3.188 7.765 -25.374 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -5.011 5.733 -26.237 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.408 5.054 -27.752 1.00 0.00 H new ATOM 1494 N GLU A 92 0.856 4.510 -24.759 1.00 0.00 N ATOM 1495 CA GLU A 92 1.492 3.297 -25.347 1.00 0.00 C ATOM 1496 C GLU A 92 2.030 2.406 -24.225 1.00 0.00 C ATOM 1497 O GLU A 92 2.324 1.245 -24.429 1.00 0.00 O ATOM 1498 CB GLU A 92 2.644 3.717 -26.261 1.00 0.00 C ATOM 1499 CG GLU A 92 2.860 2.648 -27.335 1.00 0.00 C ATOM 1500 CD GLU A 92 4.243 2.828 -27.964 1.00 0.00 C ATOM 1501 OE1 GLU A 92 5.087 3.437 -27.327 1.00 0.00 O ATOM 1502 OE2 GLU A 92 4.435 2.353 -29.071 1.00 0.00 O ATOM 0 H GLU A 92 1.479 5.307 -24.627 1.00 0.00 H new ATOM 0 HA GLU A 92 0.752 2.744 -25.926 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.421 4.676 -26.728 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.555 3.851 -25.678 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.775 1.654 -26.896 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.088 2.725 -28.100 1.00 0.00 H new ATOM 1509 N SER A 93 2.161 2.940 -23.041 1.00 0.00 N ATOM 1510 CA SER A 93 2.679 2.123 -21.909 1.00 0.00 C ATOM 1511 C SER A 93 1.811 0.874 -21.741 1.00 0.00 C ATOM 1512 O SER A 93 2.213 -0.095 -21.131 1.00 0.00 O ATOM 1513 CB SER A 93 2.638 2.949 -20.622 1.00 0.00 C ATOM 1514 OG SER A 93 3.966 3.271 -20.229 1.00 0.00 O ATOM 0 H SER A 93 1.932 3.907 -22.810 1.00 0.00 H new ATOM 0 HA SER A 93 3.707 1.826 -22.117 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.062 3.861 -20.779 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.138 2.388 -19.832 1.00 0.00 H new ATOM 0 HG SER A 93 3.944 3.802 -19.406 1.00 0.00 H new ATOM 1520 N LYS A 94 0.622 0.891 -22.277 1.00 0.00 N ATOM 1521 CA LYS A 94 -0.270 -0.295 -22.147 1.00 0.00 C ATOM 1522 C LYS A 94 0.507 -1.561 -22.514 1.00 0.00 C ATOM 1523 O LYS A 94 0.677 -2.453 -21.706 1.00 0.00 O ATOM 1524 CB LYS A 94 -1.467 -0.141 -23.089 1.00 0.00 C ATOM 1525 CG LYS A 94 -2.699 0.281 -22.287 1.00 0.00 C ATOM 1526 CD LYS A 94 -3.370 -0.958 -21.691 1.00 0.00 C ATOM 1527 CE LYS A 94 -4.432 -1.480 -22.660 1.00 0.00 C ATOM 1528 NZ LYS A 94 -5.134 -2.644 -22.049 1.00 0.00 N ATOM 0 H LYS A 94 0.230 1.675 -22.799 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.624 -0.371 -21.119 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.247 0.603 -23.855 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.661 -1.082 -23.604 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -2.410 0.969 -21.492 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.400 0.813 -22.930 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.626 -1.731 -21.500 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.827 -0.711 -20.733 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.147 -0.691 -22.891 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.967 -1.775 -23.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.856 -2.999 -22.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.446 -3.398 -21.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.590 -2.348 -21.162 1.00 0.00 H new ATOM 1542 N GLU A 95 0.982 -1.646 -23.726 1.00 0.00 N ATOM 1543 CA GLU A 95 1.749 -2.854 -24.143 1.00 0.00 C ATOM 1544 C GLU A 95 3.051 -2.934 -23.343 1.00 0.00 C ATOM 1545 O GLU A 95 3.454 -3.990 -22.898 1.00 0.00 O ATOM 1546 CB GLU A 95 2.072 -2.763 -25.636 1.00 0.00 C ATOM 1547 CG GLU A 95 0.898 -2.119 -26.375 1.00 0.00 C ATOM 1548 CD GLU A 95 0.978 -2.467 -27.862 1.00 0.00 C ATOM 1549 OE1 GLU A 95 0.682 -3.600 -28.202 1.00 0.00 O ATOM 1550 OE2 GLU A 95 1.333 -1.593 -28.636 1.00 0.00 O ATOM 0 H GLU A 95 0.872 -0.931 -24.446 1.00 0.00 H new ATOM 0 HA GLU A 95 1.152 -3.746 -23.954 1.00 0.00 H new ATOM 0 HB2 GLU A 95 2.977 -2.175 -25.788 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.267 -3.757 -26.038 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.045 -2.472 -25.958 1.00 0.00 H new ATOM 0 HG3 GLU A 95 0.920 -1.037 -26.242 1.00 0.00 H new ATOM 1557 N LEU A 96 3.712 -1.825 -23.156 1.00 0.00 N ATOM 1558 CA LEU A 96 4.987 -1.838 -22.384 1.00 0.00 C ATOM 1559 C LEU A 96 4.816 -2.701 -21.132 1.00 0.00 C ATOM 1560 O LEU A 96 5.708 -3.427 -20.740 1.00 0.00 O ATOM 1561 CB LEU A 96 5.349 -0.410 -21.973 1.00 0.00 C ATOM 1562 CG LEU A 96 5.689 0.410 -23.219 1.00 0.00 C ATOM 1563 CD1 LEU A 96 6.040 1.841 -22.809 1.00 0.00 C ATOM 1564 CD2 LEU A 96 6.884 -0.223 -23.934 1.00 0.00 C ATOM 0 H LEU A 96 3.425 -0.910 -23.504 1.00 0.00 H new ATOM 0 HA LEU A 96 5.783 -2.250 -23.004 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.516 0.048 -21.439 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.198 -0.421 -21.289 1.00 0.00 H new ATOM 0 HG LEU A 96 4.830 0.425 -23.889 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.282 2.425 -23.697 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.189 2.292 -22.299 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.899 1.827 -22.139 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.127 0.360 -24.822 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.743 -0.238 -23.263 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.634 -1.243 -24.227 1.00 0.00 H new ATOM 1576 N GLY A 97 3.677 -2.629 -20.501 1.00 0.00 N ATOM 1577 CA GLY A 97 3.451 -3.446 -19.276 1.00 0.00 C ATOM 1578 C GLY A 97 2.611 -2.648 -18.276 1.00 0.00 C ATOM 1579 O GLY A 97 2.851 -2.678 -17.085 1.00 0.00 O ATOM 0 H GLY A 97 2.893 -2.040 -20.781 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.942 -4.375 -19.535 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.406 -3.720 -18.828 1.00 0.00 H new ATOM 1583 N ALA A 98 1.628 -1.933 -18.750 1.00 0.00 N ATOM 1584 CA ALA A 98 0.774 -1.135 -17.826 1.00 0.00 C ATOM 1585 C ALA A 98 -0.560 -1.854 -17.615 1.00 0.00 C ATOM 1586 O ALA A 98 -1.457 -1.770 -18.432 1.00 0.00 O ATOM 1587 CB ALA A 98 0.519 0.246 -18.433 1.00 0.00 C ATOM 0 H ALA A 98 1.379 -1.867 -19.737 1.00 0.00 H new ATOM 0 HA ALA A 98 1.281 -1.023 -16.868 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.106 0.831 -17.758 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.469 0.758 -18.583 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.012 0.134 -19.391 1.00 0.00 H new ATOM 1593 N LEU A 99 -0.698 -2.563 -16.529 1.00 0.00 N ATOM 1594 CA LEU A 99 -1.973 -3.288 -16.269 1.00 0.00 C ATOM 1595 C LEU A 99 -3.149 -2.319 -16.408 1.00 0.00 C ATOM 1596 O LEU A 99 -3.949 -2.425 -17.316 1.00 0.00 O ATOM 1597 CB LEU A 99 -1.953 -3.864 -14.851 1.00 0.00 C ATOM 1598 CG LEU A 99 -1.136 -5.157 -14.835 1.00 0.00 C ATOM 1599 CD1 LEU A 99 -1.234 -5.805 -13.453 1.00 0.00 C ATOM 1600 CD2 LEU A 99 -1.687 -6.122 -15.888 1.00 0.00 C ATOM 0 H LEU A 99 0.017 -2.672 -15.810 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.082 -4.099 -16.989 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.521 -3.140 -14.160 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.970 -4.060 -14.513 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.094 -4.930 -15.058 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.652 -6.727 -13.441 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.843 -5.119 -12.701 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.277 -6.032 -13.231 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.105 -7.044 -15.877 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.729 -6.348 -15.664 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.619 -5.662 -16.874 1.00 0.00 H new ATOM 1612 N THR A 100 -3.262 -1.375 -15.514 1.00 0.00 N ATOM 1613 CA THR A 100 -4.387 -0.403 -15.596 1.00 0.00 C ATOM 1614 C THR A 100 -3.861 1.012 -15.342 1.00 0.00 C ATOM 1615 O THR A 100 -2.759 1.199 -14.868 1.00 0.00 O ATOM 1616 CB THR A 100 -5.441 -0.751 -14.542 1.00 0.00 C ATOM 1617 OG1 THR A 100 -6.118 -1.939 -14.927 1.00 0.00 O ATOM 1618 CG2 THR A 100 -6.447 0.395 -14.423 1.00 0.00 C ATOM 0 H THR A 100 -2.624 -1.235 -14.731 1.00 0.00 H new ATOM 0 HA THR A 100 -4.835 -0.451 -16.589 1.00 0.00 H new ATOM 0 HB THR A 100 -4.954 -0.904 -13.579 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.472 -2.671 -15.010 1.00 0.00 H new ATOM 0 HG21 THR A 100 -7.196 0.145 -13.672 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.927 1.306 -14.127 1.00 0.00 H new ATOM 0 HG23 THR A 100 -6.935 0.552 -15.385 1.00 0.00 H new ATOM 1626 N HIS A 101 -4.645 2.008 -15.652 1.00 0.00 N ATOM 1627 CA HIS A 101 -4.194 3.411 -15.429 1.00 0.00 C ATOM 1628 C HIS A 101 -5.282 4.180 -14.676 1.00 0.00 C ATOM 1629 O HIS A 101 -6.097 4.859 -15.269 1.00 0.00 O ATOM 1630 CB HIS A 101 -3.934 4.083 -16.778 1.00 0.00 C ATOM 1631 CG HIS A 101 -3.192 5.373 -16.560 1.00 0.00 C ATOM 1632 ND1 HIS A 101 -2.027 5.680 -17.246 1.00 0.00 N ATOM 1633 CD2 HIS A 101 -3.435 6.443 -15.735 1.00 0.00 C ATOM 1634 CE1 HIS A 101 -1.617 6.890 -16.824 1.00 0.00 C ATOM 1635 NE2 HIS A 101 -2.440 7.399 -15.903 1.00 0.00 N ATOM 0 H HIS A 101 -5.579 1.911 -16.050 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.276 3.410 -14.842 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.353 3.421 -17.420 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.878 4.275 -17.289 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -1.565 5.096 -17.943 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -4.272 6.529 -15.058 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -0.730 7.389 -17.186 1.00 0.00 H new ATOM 1643 N PHE A 102 -5.305 4.078 -13.376 1.00 0.00 N ATOM 1644 CA PHE A 102 -6.344 4.802 -12.590 1.00 0.00 C ATOM 1645 C PHE A 102 -6.062 6.305 -12.634 1.00 0.00 C ATOM 1646 O PHE A 102 -4.950 6.732 -12.869 1.00 0.00 O ATOM 1647 CB PHE A 102 -6.315 4.319 -11.139 1.00 0.00 C ATOM 1648 CG PHE A 102 -7.053 3.008 -11.029 1.00 0.00 C ATOM 1649 CD1 PHE A 102 -8.297 2.850 -11.655 1.00 0.00 C ATOM 1650 CD2 PHE A 102 -6.497 1.949 -10.301 1.00 0.00 C ATOM 1651 CE1 PHE A 102 -8.982 1.633 -11.554 1.00 0.00 C ATOM 1652 CE2 PHE A 102 -7.182 0.733 -10.200 1.00 0.00 C ATOM 1653 CZ PHE A 102 -8.425 0.575 -10.826 1.00 0.00 C ATOM 0 H PHE A 102 -4.650 3.525 -12.824 1.00 0.00 H new ATOM 0 HA PHE A 102 -7.327 4.605 -13.018 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.284 4.197 -10.806 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.775 5.063 -10.488 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.727 3.667 -12.215 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -5.539 2.071 -9.817 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -9.940 1.511 -12.038 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -6.752 -0.084 -9.639 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.954 -0.363 -10.747 1.00 0.00 H new ATOM 1663 N ALA A 103 -7.064 7.112 -12.412 1.00 0.00 N ATOM 1664 CA ALA A 103 -6.854 8.587 -12.441 1.00 0.00 C ATOM 1665 C ALA A 103 -7.503 9.219 -11.208 1.00 0.00 C ATOM 1666 O ALA A 103 -7.572 8.618 -10.154 1.00 0.00 O ATOM 1667 CB ALA A 103 -7.490 9.166 -13.706 1.00 0.00 C ATOM 0 H ALA A 103 -8.019 6.813 -12.212 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.786 8.803 -12.439 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.337 10.245 -13.729 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.028 8.715 -14.584 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.559 8.951 -13.707 1.00 0.00 H new ATOM 1673 N LYS A 104 -7.977 10.429 -11.330 1.00 0.00 N ATOM 1674 CA LYS A 104 -8.620 11.099 -10.165 1.00 0.00 C ATOM 1675 C LYS A 104 -10.140 10.930 -10.253 1.00 0.00 C ATOM 1676 O LYS A 104 -10.677 10.712 -11.321 1.00 0.00 O ATOM 1677 CB LYS A 104 -8.270 12.588 -10.177 1.00 0.00 C ATOM 1678 CG LYS A 104 -8.637 13.188 -11.536 1.00 0.00 C ATOM 1679 CD LYS A 104 -9.145 14.618 -11.343 1.00 0.00 C ATOM 1680 CE LYS A 104 -9.433 15.247 -12.708 1.00 0.00 C ATOM 1681 NZ LYS A 104 -10.901 15.219 -12.967 1.00 0.00 N ATOM 0 H LYS A 104 -7.947 10.982 -12.186 1.00 0.00 H new ATOM 0 HA LYS A 104 -8.258 10.648 -9.241 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -8.808 13.105 -9.382 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -7.206 12.724 -9.983 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.767 13.185 -12.193 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.403 12.581 -12.018 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.049 14.615 -10.734 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -8.402 15.210 -10.808 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.068 16.274 -12.732 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -8.904 14.703 -13.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.098 15.646 -13.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.236 14.234 -12.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -11.395 15.757 -12.226 1.00 0.00 H new ATOM 1695 N PRO A 105 -10.788 11.042 -9.121 1.00 0.00 N ATOM 1696 CA PRO A 105 -10.124 11.309 -7.831 1.00 0.00 C ATOM 1697 C PRO A 105 -9.516 10.027 -7.257 1.00 0.00 C ATOM 1698 O PRO A 105 -9.101 9.983 -6.116 1.00 0.00 O ATOM 1699 CB PRO A 105 -11.261 11.815 -6.941 1.00 0.00 C ATOM 1700 CG PRO A 105 -12.573 11.278 -7.564 1.00 0.00 C ATOM 1701 CD PRO A 105 -12.256 10.920 -9.029 1.00 0.00 C ATOM 0 HA PRO A 105 -9.302 12.020 -7.916 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.142 11.458 -5.918 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -11.267 12.904 -6.900 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -12.929 10.403 -7.021 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -13.362 12.029 -7.511 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -12.588 9.911 -9.273 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -12.756 11.597 -9.722 1.00 0.00 H new ATOM 1709 N PHE A 106 -9.459 8.986 -8.036 1.00 0.00 N ATOM 1710 CA PHE A 106 -8.875 7.715 -7.533 1.00 0.00 C ATOM 1711 C PHE A 106 -9.824 7.089 -6.507 1.00 0.00 C ATOM 1712 O PHE A 106 -9.816 7.442 -5.344 1.00 0.00 O ATOM 1713 CB PHE A 106 -7.524 8.000 -6.875 1.00 0.00 C ATOM 1714 CG PHE A 106 -6.698 6.736 -6.843 1.00 0.00 C ATOM 1715 CD1 PHE A 106 -6.312 6.121 -8.040 1.00 0.00 C ATOM 1716 CD2 PHE A 106 -6.314 6.182 -5.616 1.00 0.00 C ATOM 1717 CE1 PHE A 106 -5.544 4.952 -8.010 1.00 0.00 C ATOM 1718 CE2 PHE A 106 -5.546 5.012 -5.586 1.00 0.00 C ATOM 1719 CZ PHE A 106 -5.161 4.397 -6.783 1.00 0.00 C ATOM 0 H PHE A 106 -9.792 8.960 -9.000 1.00 0.00 H new ATOM 0 HA PHE A 106 -8.734 7.024 -8.364 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -6.996 8.777 -7.427 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -7.673 8.374 -5.862 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -6.607 6.549 -8.987 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -6.610 6.657 -4.693 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.247 4.478 -8.933 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -5.251 4.584 -4.639 1.00 0.00 H new ATOM 0 HZ PHE A 106 -4.568 3.494 -6.760 1.00 0.00 H new ATOM 1729 N ASP A 107 -10.643 6.165 -6.928 1.00 0.00 N ATOM 1730 CA ASP A 107 -11.591 5.520 -5.976 1.00 0.00 C ATOM 1731 C ASP A 107 -10.927 4.293 -5.352 1.00 0.00 C ATOM 1732 O ASP A 107 -10.573 3.354 -6.035 1.00 0.00 O ATOM 1733 CB ASP A 107 -12.853 5.085 -6.726 1.00 0.00 C ATOM 1734 CG ASP A 107 -13.741 4.258 -5.796 1.00 0.00 C ATOM 1735 OD1 ASP A 107 -13.592 4.392 -4.593 1.00 0.00 O ATOM 1736 OD2 ASP A 107 -14.555 3.504 -6.303 1.00 0.00 O ATOM 0 H ASP A 107 -10.697 5.829 -7.889 1.00 0.00 H new ATOM 0 HA ASP A 107 -11.859 6.230 -5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -13.397 5.960 -7.082 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -12.583 4.499 -7.604 1.00 0.00 H new ATOM 1741 N ILE A 108 -10.755 4.290 -4.058 1.00 0.00 N ATOM 1742 CA ILE A 108 -10.114 3.120 -3.395 1.00 0.00 C ATOM 1743 C ILE A 108 -10.820 1.836 -3.839 1.00 0.00 C ATOM 1744 O ILE A 108 -10.193 0.820 -4.062 1.00 0.00 O ATOM 1745 CB ILE A 108 -10.224 3.272 -1.876 1.00 0.00 C ATOM 1746 CG1 ILE A 108 -9.228 4.332 -1.401 1.00 0.00 C ATOM 1747 CG2 ILE A 108 -9.901 1.937 -1.199 1.00 0.00 C ATOM 1748 CD1 ILE A 108 -7.814 3.928 -1.824 1.00 0.00 C ATOM 0 H ILE A 108 -11.031 5.047 -3.432 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.062 3.070 -3.676 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.238 3.574 -1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.483 5.303 -1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.280 4.435 -0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.980 2.049 -0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -10.605 1.177 -1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.887 1.633 -1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.104 4.683 -1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.562 2.966 -1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.768 3.847 -2.910 1.00 0.00 H new ATOM 1760 N ASP A 109 -12.117 1.874 -3.970 1.00 0.00 N ATOM 1761 CA ASP A 109 -12.855 0.654 -4.401 1.00 0.00 C ATOM 1762 C ASP A 109 -12.408 0.262 -5.810 1.00 0.00 C ATOM 1763 O ASP A 109 -12.284 -0.904 -6.130 1.00 0.00 O ATOM 1764 CB ASP A 109 -14.359 0.941 -4.403 1.00 0.00 C ATOM 1765 CG ASP A 109 -14.807 1.332 -2.993 1.00 0.00 C ATOM 1766 OD1 ASP A 109 -14.460 2.419 -2.564 1.00 0.00 O ATOM 1767 OD2 ASP A 109 -15.489 0.536 -2.368 1.00 0.00 O ATOM 0 H ASP A 109 -12.697 2.695 -3.798 1.00 0.00 H new ATOM 0 HA ASP A 109 -12.643 -0.163 -3.711 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.586 1.745 -5.104 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -14.907 0.061 -4.739 1.00 0.00 H new ATOM 1772 N GLU A 110 -12.160 1.227 -6.654 1.00 0.00 N ATOM 1773 CA GLU A 110 -11.718 0.909 -8.040 1.00 0.00 C ATOM 1774 C GLU A 110 -10.306 0.321 -7.997 1.00 0.00 C ATOM 1775 O GLU A 110 -9.952 -0.529 -8.790 1.00 0.00 O ATOM 1776 CB GLU A 110 -11.714 2.186 -8.881 1.00 0.00 C ATOM 1777 CG GLU A 110 -11.585 1.823 -10.362 1.00 0.00 C ATOM 1778 CD GLU A 110 -12.972 1.537 -10.940 1.00 0.00 C ATOM 1779 OE1 GLU A 110 -13.795 1.001 -10.216 1.00 0.00 O ATOM 1780 OE2 GLU A 110 -13.187 1.858 -12.097 1.00 0.00 O ATOM 0 H GLU A 110 -12.245 2.221 -6.443 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.402 0.186 -8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -12.633 2.748 -8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -10.887 2.829 -8.580 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -11.113 2.640 -10.908 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -10.944 0.950 -10.479 1.00 0.00 H new ATOM 1787 N ILE A 111 -9.498 0.766 -7.075 1.00 0.00 N ATOM 1788 CA ILE A 111 -8.111 0.233 -6.977 1.00 0.00 C ATOM 1789 C ILE A 111 -8.164 -1.241 -6.570 1.00 0.00 C ATOM 1790 O ILE A 111 -7.619 -2.100 -7.236 1.00 0.00 O ATOM 1791 CB ILE A 111 -7.334 1.023 -5.922 1.00 0.00 C ATOM 1792 CG1 ILE A 111 -7.576 2.522 -6.119 1.00 0.00 C ATOM 1793 CG2 ILE A 111 -5.839 0.728 -6.059 1.00 0.00 C ATOM 1794 CD1 ILE A 111 -7.406 2.883 -7.595 1.00 0.00 C ATOM 0 H ILE A 111 -9.739 1.477 -6.384 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.614 0.330 -7.942 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.674 0.728 -4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -8.579 2.785 -5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.876 3.096 -5.512 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.287 1.291 -5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -5.664 -0.338 -5.915 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.500 1.020 -7.053 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.579 3.951 -7.731 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -6.394 2.636 -7.916 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -8.124 2.320 -8.192 1.00 0.00 H new ATOM 1806 N ARG A 112 -8.817 -1.540 -5.481 1.00 0.00 N ATOM 1807 CA ARG A 112 -8.908 -2.956 -5.028 1.00 0.00 C ATOM 1808 C ARG A 112 -9.536 -3.807 -6.135 1.00 0.00 C ATOM 1809 O ARG A 112 -9.207 -4.964 -6.304 1.00 0.00 O ATOM 1810 CB ARG A 112 -9.780 -3.039 -3.773 1.00 0.00 C ATOM 1811 CG ARG A 112 -9.335 -1.978 -2.764 1.00 0.00 C ATOM 1812 CD ARG A 112 -10.053 -2.207 -1.434 1.00 0.00 C ATOM 1813 NE ARG A 112 -10.944 -1.049 -1.143 1.00 0.00 N ATOM 1814 CZ ARG A 112 -11.609 -0.998 -0.020 1.00 0.00 C ATOM 1815 NH1 ARG A 112 -11.497 -1.962 0.854 1.00 0.00 N ATOM 1816 NH2 ARG A 112 -12.389 0.018 0.228 1.00 0.00 N ATOM 0 H ARG A 112 -9.292 -0.863 -4.884 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.908 -3.327 -4.803 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.827 -2.888 -4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.702 -4.032 -3.329 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -8.256 -2.028 -2.620 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -9.560 -0.982 -3.144 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -10.637 -3.126 -1.478 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -9.325 -2.329 -0.632 1.00 0.00 H new ATOM 0 HE ARG A 112 -11.035 -0.294 -1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -10.889 -2.758 0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -12.018 -1.919 1.730 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -12.479 0.771 -0.455 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -12.909 0.060 1.104 1.00 0.00 H new ATOM 1830 N ASP A 113 -10.442 -3.245 -6.886 1.00 0.00 N ATOM 1831 CA ASP A 113 -11.094 -4.021 -7.977 1.00 0.00 C ATOM 1832 C ASP A 113 -10.047 -4.440 -9.011 1.00 0.00 C ATOM 1833 O ASP A 113 -9.815 -5.611 -9.237 1.00 0.00 O ATOM 1834 CB ASP A 113 -12.160 -3.155 -8.653 1.00 0.00 C ATOM 1835 CG ASP A 113 -13.341 -2.963 -7.700 1.00 0.00 C ATOM 1836 OD1 ASP A 113 -13.641 -3.890 -6.966 1.00 0.00 O ATOM 1837 OD2 ASP A 113 -13.926 -1.893 -7.721 1.00 0.00 O ATOM 0 H ASP A 113 -10.759 -2.280 -6.791 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.560 -4.911 -7.556 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -11.738 -2.188 -8.926 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.497 -3.628 -9.576 1.00 0.00 H new ATOM 1842 N ALA A 114 -9.414 -3.491 -9.646 1.00 0.00 N ATOM 1843 CA ALA A 114 -8.386 -3.834 -10.669 1.00 0.00 C ATOM 1844 C ALA A 114 -7.282 -4.681 -10.029 1.00 0.00 C ATOM 1845 O ALA A 114 -7.070 -5.819 -10.397 1.00 0.00 O ATOM 1846 CB ALA A 114 -7.777 -2.548 -11.231 1.00 0.00 C ATOM 0 H ALA A 114 -9.565 -2.493 -9.500 1.00 0.00 H new ATOM 0 HA ALA A 114 -8.855 -4.400 -11.474 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -7.025 -2.798 -11.979 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -8.560 -1.945 -11.691 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -7.311 -1.983 -10.424 1.00 0.00 H new ATOM 1852 N VAL A 115 -6.576 -4.132 -9.079 1.00 0.00 N ATOM 1853 CA VAL A 115 -5.482 -4.903 -8.419 1.00 0.00 C ATOM 1854 C VAL A 115 -5.948 -6.335 -8.143 1.00 0.00 C ATOM 1855 O VAL A 115 -5.199 -7.279 -8.290 1.00 0.00 O ATOM 1856 CB VAL A 115 -5.111 -4.227 -7.098 1.00 0.00 C ATOM 1857 CG1 VAL A 115 -4.183 -5.143 -6.299 1.00 0.00 C ATOM 1858 CG2 VAL A 115 -4.395 -2.905 -7.387 1.00 0.00 C ATOM 0 H VAL A 115 -6.709 -3.183 -8.730 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.613 -4.928 -9.077 1.00 0.00 H new ATOM 0 HB VAL A 115 -6.016 -4.034 -6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.919 -4.661 -5.358 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.690 -6.086 -6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.278 -5.336 -6.875 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.130 -2.422 -6.447 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -3.490 -3.100 -7.963 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.055 -2.251 -7.958 1.00 0.00 H new ATOM 1868 N LYS A 116 -7.179 -6.504 -7.744 1.00 0.00 N ATOM 1869 CA LYS A 116 -7.685 -7.877 -7.458 1.00 0.00 C ATOM 1870 C LYS A 116 -7.667 -8.710 -8.741 1.00 0.00 C ATOM 1871 O LYS A 116 -7.027 -9.740 -8.815 1.00 0.00 O ATOM 1872 CB LYS A 116 -9.117 -7.791 -6.926 1.00 0.00 C ATOM 1873 CG LYS A 116 -9.088 -7.619 -5.407 1.00 0.00 C ATOM 1874 CD LYS A 116 -9.853 -8.769 -4.748 1.00 0.00 C ATOM 1875 CE LYS A 116 -10.786 -8.211 -3.671 1.00 0.00 C ATOM 1876 NZ LYS A 116 -11.298 -9.330 -2.829 1.00 0.00 N ATOM 0 H LYS A 116 -7.855 -5.753 -7.604 1.00 0.00 H new ATOM 0 HA LYS A 116 -7.046 -8.350 -6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -9.638 -6.952 -7.388 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -9.669 -8.693 -7.190 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -8.058 -7.603 -5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -9.536 -6.665 -5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -10.429 -9.313 -5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -9.154 -9.479 -4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -10.253 -7.490 -3.051 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -11.618 -7.680 -4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -11.932 -8.951 -2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -11.821 -10.003 -3.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -10.499 -9.818 -2.376 1.00 0.00 H new ATOM 1890 N LYS A 117 -8.365 -8.274 -9.753 1.00 0.00 N ATOM 1891 CA LYS A 117 -8.390 -9.041 -11.030 1.00 0.00 C ATOM 1892 C LYS A 117 -6.959 -9.379 -11.454 1.00 0.00 C ATOM 1893 O LYS A 117 -6.595 -10.530 -11.588 1.00 0.00 O ATOM 1894 CB LYS A 117 -9.059 -8.200 -12.119 1.00 0.00 C ATOM 1895 CG LYS A 117 -10.405 -8.824 -12.492 1.00 0.00 C ATOM 1896 CD LYS A 117 -11.053 -8.008 -13.612 1.00 0.00 C ATOM 1897 CE LYS A 117 -11.999 -8.902 -14.415 1.00 0.00 C ATOM 1898 NZ LYS A 117 -11.905 -8.552 -15.861 1.00 0.00 N ATOM 0 H LYS A 117 -8.920 -7.418 -9.751 1.00 0.00 H new ATOM 0 HA LYS A 117 -8.953 -9.963 -10.886 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -9.205 -7.179 -11.766 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -8.416 -8.145 -12.997 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -10.263 -9.855 -12.815 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -11.060 -8.850 -11.621 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.602 -7.165 -13.191 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.285 -7.594 -14.265 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.740 -9.950 -14.266 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -13.023 -8.774 -14.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -12.548 -9.160 -16.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -12.172 -7.556 -15.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -10.929 -8.696 -16.190 1.00 0.00 H new ATOM 1912 N TYR A 118 -6.144 -8.382 -11.668 1.00 0.00 N ATOM 1913 CA TYR A 118 -4.738 -8.645 -12.086 1.00 0.00 C ATOM 1914 C TYR A 118 -4.069 -9.581 -11.077 1.00 0.00 C ATOM 1915 O TYR A 118 -3.852 -10.746 -11.344 1.00 0.00 O ATOM 1916 CB TYR A 118 -3.968 -7.324 -12.145 1.00 0.00 C ATOM 1917 CG TYR A 118 -4.587 -6.430 -13.193 1.00 0.00 C ATOM 1918 CD1 TYR A 118 -4.547 -6.801 -14.542 1.00 0.00 C ATOM 1919 CD2 TYR A 118 -5.201 -5.230 -12.814 1.00 0.00 C ATOM 1920 CE1 TYR A 118 -5.120 -5.971 -15.513 1.00 0.00 C ATOM 1921 CE2 TYR A 118 -5.775 -4.401 -13.785 1.00 0.00 C ATOM 1922 CZ TYR A 118 -5.734 -4.771 -15.135 1.00 0.00 C ATOM 1923 OH TYR A 118 -6.300 -3.955 -16.093 1.00 0.00 O ATOM 0 H TYR A 118 -6.391 -7.397 -11.571 1.00 0.00 H new ATOM 0 HA TYR A 118 -4.735 -9.113 -13.071 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.991 -6.833 -11.172 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.921 -7.511 -12.383 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -4.074 -7.727 -14.834 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -5.232 -4.944 -11.773 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -5.088 -6.257 -16.554 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -6.250 -3.476 -13.493 1.00 0.00 H new ATOM 0 HH TYR A 118 -6.833 -3.258 -15.656 1.00 0.00 H new ATOM 1933 N LEU A 119 -3.737 -9.079 -9.918 1.00 0.00 N ATOM 1934 CA LEU A 119 -3.080 -9.938 -8.893 1.00 0.00 C ATOM 1935 C LEU A 119 -4.151 -10.593 -8.009 1.00 0.00 C ATOM 1936 O LEU A 119 -4.825 -9.915 -7.259 1.00 0.00 O ATOM 1937 CB LEU A 119 -2.166 -9.074 -8.021 1.00 0.00 C ATOM 1938 CG LEU A 119 -1.170 -9.969 -7.282 1.00 0.00 C ATOM 1939 CD1 LEU A 119 0.132 -9.201 -7.050 1.00 0.00 C ATOM 1940 CD2 LEU A 119 -1.763 -10.384 -5.933 1.00 0.00 C ATOM 0 H LEU A 119 -3.893 -8.111 -9.637 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.494 -10.712 -9.389 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.633 -8.352 -8.639 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -2.760 -8.505 -7.306 1.00 0.00 H new ATOM 0 HG LEU A 119 -0.966 -10.857 -7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.842 -9.839 -6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.555 -8.903 -8.010 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -0.071 -8.313 -6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -1.054 -11.022 -5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.966 -9.495 -5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -2.692 -10.931 -6.097 1.00 0.00 H new ATOM 1952 N PRO A 120 -4.278 -11.894 -8.120 1.00 0.00 N ATOM 1953 CA PRO A 120 -5.263 -12.661 -7.336 1.00 0.00 C ATOM 1954 C PRO A 120 -4.754 -12.874 -5.907 1.00 0.00 C ATOM 1955 O PRO A 120 -3.894 -12.160 -5.431 1.00 0.00 O ATOM 1956 CB PRO A 120 -5.359 -13.994 -8.084 1.00 0.00 C ATOM 1957 CG PRO A 120 -4.047 -14.136 -8.890 1.00 0.00 C ATOM 1958 CD PRO A 120 -3.460 -12.719 -9.033 1.00 0.00 C ATOM 0 HA PRO A 120 -6.226 -12.159 -7.246 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -5.478 -14.823 -7.387 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -6.225 -14.007 -8.746 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -3.347 -14.795 -8.377 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -4.240 -14.576 -9.869 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -2.406 -12.695 -8.755 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -3.527 -12.362 -10.061 1.00 0.00 H new ATOM 1966 N LEU A 121 -5.279 -13.850 -5.219 1.00 0.00 N ATOM 1967 CA LEU A 121 -4.825 -14.107 -3.823 1.00 0.00 C ATOM 1968 C LEU A 121 -5.035 -15.584 -3.483 1.00 0.00 C ATOM 1969 O LEU A 121 -5.474 -16.365 -4.305 1.00 0.00 O ATOM 1970 CB LEU A 121 -5.633 -13.241 -2.855 1.00 0.00 C ATOM 1971 CG LEU A 121 -4.699 -12.253 -2.153 1.00 0.00 C ATOM 1972 CD1 LEU A 121 -5.513 -11.356 -1.220 1.00 0.00 C ATOM 1973 CD2 LEU A 121 -3.659 -13.025 -1.337 1.00 0.00 C ATOM 0 H LEU A 121 -6.003 -14.481 -5.563 1.00 0.00 H new ATOM 0 HA LEU A 121 -3.767 -13.860 -3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -6.411 -12.701 -3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -6.134 -13.870 -2.119 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.194 -11.639 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.848 -10.652 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -6.254 -10.806 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -6.018 -11.970 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.994 -12.321 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.164 -13.639 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.078 -13.665 -2.001 1.00 0.00 H new