USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 563 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 7 THR OG1 : rot -76:sc= 1.54 USER MOD Set 1.2: A 9 THR OG1 : rot -33:sc= 0.15 USER MOD Single : A 6 LYS NZ :NH3+ -143:sc= -4.54! (180deg=-9.45!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.414 USER MOD Single : A 14 THR OG1 : rot -80:sc= 2.13 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00912 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00189 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 137:sc= 0.291 (180deg=-2.07!) USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= -0.148 (180deg=-0.832) USER MOD Single : A 31 GLN : amide:sc= -0.735 X(o=-0.73,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 41 GLN : amide:sc= -2.73 K(o=-2.7,f=-12!) USER MOD Single : A 48 LYS NZ :NH3+ -141:sc= -2.93! (180deg=-5.72!) USER MOD Single : A 49 GLN : amide:sc= 0.215 K(o=0.21,f=-5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.499 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 150:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.23 X(o=-1.2,f=-0.78) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -170:sc= -0.338 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 75.213 -12.744 2.572 1.00 0.00 N ATOM 38 CA ILE A 3 74.270 -12.533 1.478 1.00 0.00 C ATOM 39 C ILE A 3 74.886 -11.571 0.468 1.00 0.00 C ATOM 40 O ILE A 3 75.956 -11.015 0.716 1.00 0.00 O ATOM 41 CB ILE A 3 72.974 -11.915 2.011 1.00 0.00 C ATOM 42 CG1 ILE A 3 73.309 -10.766 2.962 1.00 0.00 C ATOM 43 CG2 ILE A 3 72.163 -12.969 2.761 1.00 0.00 C ATOM 44 CD1 ILE A 3 72.177 -9.740 2.927 1.00 0.00 C ATOM 0 HA ILE A 3 74.050 -13.492 1.009 1.00 0.00 H new ATOM 0 HB ILE A 3 72.388 -11.540 1.172 1.00 0.00 H new ATOM 0 HG12 ILE A 3 73.442 -11.144 3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 3 74.249 -10.298 2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 3 71.243 -12.521 3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 3 71.918 -13.788 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 3 72.748 -13.351 3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 3 72.410 -8.918 3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 3 72.066 -9.355 1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 3 71.246 -10.214 3.239 1.00 0.00 H new ATOM 56 N PHE A 4 74.222 -11.390 -0.670 1.00 0.00 N ATOM 57 CA PHE A 4 74.739 -10.501 -1.709 1.00 0.00 C ATOM 58 C PHE A 4 73.796 -9.328 -1.962 1.00 0.00 C ATOM 59 O PHE A 4 72.579 -9.491 -2.011 1.00 0.00 O ATOM 60 CB PHE A 4 74.937 -11.291 -3.005 1.00 0.00 C ATOM 61 CG PHE A 4 75.962 -12.377 -2.775 1.00 0.00 C ATOM 62 CD1 PHE A 4 75.548 -13.709 -2.661 1.00 0.00 C ATOM 63 CD2 PHE A 4 77.320 -12.054 -2.668 1.00 0.00 C ATOM 64 CE1 PHE A 4 76.492 -14.720 -2.441 1.00 0.00 C ATOM 65 CE2 PHE A 4 78.264 -13.064 -2.448 1.00 0.00 C ATOM 66 CZ PHE A 4 77.850 -14.397 -2.334 1.00 0.00 C ATOM 0 H PHE A 4 73.335 -11.840 -0.896 1.00 0.00 H new ATOM 0 HA PHE A 4 75.693 -10.098 -1.367 1.00 0.00 H new ATOM 0 HB2 PHE A 4 73.992 -11.729 -3.326 1.00 0.00 H new ATOM 0 HB3 PHE A 4 75.267 -10.626 -3.803 1.00 0.00 H new ATOM 0 HD1 PHE A 4 74.500 -13.957 -2.743 1.00 0.00 H new ATOM 0 HD2 PHE A 4 77.639 -11.026 -2.755 1.00 0.00 H new ATOM 0 HE1 PHE A 4 76.173 -15.748 -2.354 1.00 0.00 H new ATOM 0 HE2 PHE A 4 79.312 -12.815 -2.366 1.00 0.00 H new ATOM 0 HZ PHE A 4 78.578 -15.176 -2.164 1.00 0.00 H new ATOM 76 N VAL A 5 74.381 -8.147 -2.132 1.00 0.00 N ATOM 77 CA VAL A 5 73.607 -6.939 -2.396 1.00 0.00 C ATOM 78 C VAL A 5 74.100 -6.287 -3.683 1.00 0.00 C ATOM 79 O VAL A 5 75.295 -6.052 -3.846 1.00 0.00 O ATOM 80 CB VAL A 5 73.745 -5.957 -1.232 1.00 0.00 C ATOM 81 CG1 VAL A 5 73.163 -4.601 -1.635 1.00 0.00 C ATOM 82 CG2 VAL A 5 72.980 -6.499 -0.022 1.00 0.00 C ATOM 0 H VAL A 5 75.390 -8.000 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 5 72.556 -7.208 -2.505 1.00 0.00 H new ATOM 0 HB VAL A 5 74.798 -5.838 -0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 5 73.262 -3.902 -0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 5 73.703 -4.216 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 5 72.109 -4.718 -1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 5 73.075 -5.802 0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 5 71.927 -6.615 -0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 5 73.392 -7.466 0.265 1.00 0.00 H new ATOM 92 N LYS A 6 73.181 -6.013 -4.602 1.00 0.00 N ATOM 93 CA LYS A 6 73.553 -5.406 -5.877 1.00 0.00 C ATOM 94 C LYS A 6 73.341 -3.897 -5.853 1.00 0.00 C ATOM 95 O LYS A 6 72.365 -3.403 -5.288 1.00 0.00 O ATOM 96 CB LYS A 6 72.715 -6.017 -7.003 1.00 0.00 C ATOM 97 CG LYS A 6 73.618 -6.827 -7.937 1.00 0.00 C ATOM 98 CD LYS A 6 74.291 -7.956 -7.153 1.00 0.00 C ATOM 99 CE LYS A 6 74.255 -9.243 -7.977 1.00 0.00 C ATOM 100 NZ LYS A 6 72.839 -9.608 -8.263 1.00 0.00 N ATOM 0 H LYS A 6 72.184 -6.198 -4.492 1.00 0.00 H new ATOM 0 HA LYS A 6 74.611 -5.603 -6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 6 71.939 -6.658 -6.585 1.00 0.00 H new ATOM 0 HB3 LYS A 6 72.210 -5.229 -7.562 1.00 0.00 H new ATOM 0 HG2 LYS A 6 73.031 -7.240 -8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 6 74.374 -6.179 -8.381 1.00 0.00 H new ATOM 0 HD2 LYS A 6 75.322 -7.688 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 6 73.781 -8.107 -6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 6 74.802 -9.106 -8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 6 74.747 -10.050 -7.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 72.733 -10.642 -8.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 72.218 -9.171 -7.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 72.577 -9.266 -9.209 1.00 0.00 H new ATOM 114 N THR A 7 74.265 -3.173 -6.480 1.00 0.00 N ATOM 115 CA THR A 7 74.180 -1.718 -6.539 1.00 0.00 C ATOM 116 C THR A 7 73.795 -1.267 -7.944 1.00 0.00 C ATOM 117 O THR A 7 73.730 -2.077 -8.870 1.00 0.00 O ATOM 118 CB THR A 7 75.526 -1.100 -6.154 1.00 0.00 C ATOM 119 OG1 THR A 7 76.551 -1.669 -6.957 1.00 0.00 O ATOM 120 CG2 THR A 7 75.815 -1.379 -4.678 1.00 0.00 C ATOM 0 H THR A 7 75.078 -3.569 -6.952 1.00 0.00 H new ATOM 0 HA THR A 7 73.415 -1.386 -5.837 1.00 0.00 H new ATOM 0 HB THR A 7 75.492 -0.023 -6.316 1.00 0.00 H new ATOM 0 HG1 THR A 7 76.757 -2.571 -6.634 1.00 0.00 H new ATOM 0 HG21 THR A 7 76.774 -0.938 -4.405 1.00 0.00 H new ATOM 0 HG22 THR A 7 75.027 -0.942 -4.064 1.00 0.00 H new ATOM 0 HG23 THR A 7 75.850 -2.456 -4.511 1.00 0.00 H new ATOM 128 N LEU A 8 73.542 0.028 -8.097 1.00 0.00 N ATOM 129 CA LEU A 8 73.167 0.569 -9.399 1.00 0.00 C ATOM 130 C LEU A 8 74.366 0.556 -10.340 1.00 0.00 C ATOM 131 O LEU A 8 74.217 0.688 -11.555 1.00 0.00 O ATOM 132 CB LEU A 8 72.624 2.008 -9.290 1.00 0.00 C ATOM 133 CG LEU A 8 72.501 2.470 -7.828 1.00 0.00 C ATOM 134 CD1 LEU A 8 71.638 1.490 -7.025 1.00 0.00 C ATOM 135 CD2 LEU A 8 73.892 2.584 -7.199 1.00 0.00 C ATOM 0 H LEU A 8 73.589 0.716 -7.346 1.00 0.00 H new ATOM 0 HA LEU A 8 72.374 -0.066 -9.795 1.00 0.00 H new ATOM 0 HB2 LEU A 8 73.285 2.686 -9.830 1.00 0.00 H new ATOM 0 HB3 LEU A 8 71.647 2.064 -9.771 1.00 0.00 H new ATOM 0 HG LEU A 8 72.020 3.448 -7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 8 71.562 1.833 -5.993 1.00 0.00 H new ATOM 0 HD12 LEU A 8 70.642 1.438 -7.464 1.00 0.00 H new ATOM 0 HD13 LEU A 8 72.096 0.501 -7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 8 73.797 2.912 -6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 8 74.385 1.613 -7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 8 74.485 3.309 -7.756 1.00 0.00 H new ATOM 147 N THR A 9 75.557 0.397 -9.771 1.00 0.00 N ATOM 148 CA THR A 9 76.777 0.370 -10.570 1.00 0.00 C ATOM 149 C THR A 9 77.099 -1.056 -11.008 1.00 0.00 C ATOM 150 O THR A 9 77.935 -1.271 -11.886 1.00 0.00 O ATOM 151 CB THR A 9 77.946 0.932 -9.757 1.00 0.00 C ATOM 152 OG1 THR A 9 78.240 0.051 -8.681 1.00 0.00 O ATOM 153 CG2 THR A 9 77.569 2.309 -9.202 1.00 0.00 C ATOM 0 H THR A 9 75.703 0.286 -8.768 1.00 0.00 H new ATOM 0 HA THR A 9 76.622 0.985 -11.457 1.00 0.00 H new ATOM 0 HB THR A 9 78.822 1.028 -10.399 1.00 0.00 H new ATOM 0 HG1 THR A 9 77.413 -0.374 -8.371 1.00 0.00 H new ATOM 0 HG21 THR A 9 78.402 2.708 -8.623 1.00 0.00 H new ATOM 0 HG22 THR A 9 77.343 2.985 -10.027 1.00 0.00 H new ATOM 0 HG23 THR A 9 76.693 2.215 -8.560 1.00 0.00 H new ATOM 161 N GLY A 10 76.433 -2.024 -10.391 1.00 0.00 N ATOM 162 CA GLY A 10 76.656 -3.426 -10.725 1.00 0.00 C ATOM 163 C GLY A 10 77.567 -4.094 -9.702 1.00 0.00 C ATOM 164 O GLY A 10 77.814 -5.297 -9.768 1.00 0.00 O ATOM 0 H GLY A 10 75.738 -1.866 -9.661 1.00 0.00 H new ATOM 0 HA2 GLY A 10 75.701 -3.950 -10.764 1.00 0.00 H new ATOM 0 HA3 GLY A 10 77.101 -3.501 -11.717 1.00 0.00 H new ATOM 168 N LYS A 11 78.064 -3.304 -8.755 1.00 0.00 N ATOM 169 CA LYS A 11 78.947 -3.830 -7.721 1.00 0.00 C ATOM 170 C LYS A 11 78.162 -4.664 -6.715 1.00 0.00 C ATOM 171 O LYS A 11 77.162 -4.207 -6.160 1.00 0.00 O ATOM 172 CB LYS A 11 79.646 -2.677 -6.995 1.00 0.00 C ATOM 173 CG LYS A 11 80.934 -3.188 -6.346 1.00 0.00 C ATOM 174 CD LYS A 11 81.557 -2.073 -5.504 1.00 0.00 C ATOM 175 CE LYS A 11 81.455 -2.435 -4.021 1.00 0.00 C ATOM 176 NZ LYS A 11 81.961 -1.301 -3.197 1.00 0.00 N ATOM 0 H LYS A 11 77.872 -2.305 -8.683 1.00 0.00 H new ATOM 0 HA LYS A 11 79.693 -4.466 -8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 11 79.874 -1.876 -7.698 1.00 0.00 H new ATOM 0 HB3 LYS A 11 78.986 -2.257 -6.236 1.00 0.00 H new ATOM 0 HG2 LYS A 11 80.720 -4.054 -5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.636 -3.515 -7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 11 82.601 -1.932 -5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 11 81.045 -1.130 -5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 11 80.420 -2.655 -3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 11 82.034 -3.335 -3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 81.892 -1.547 -2.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 82.954 -1.111 -3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 81.390 -0.452 -3.387 1.00 0.00 H new ATOM 190 N THR A 12 78.621 -5.890 -6.484 1.00 0.00 N ATOM 191 CA THR A 12 77.954 -6.782 -5.542 1.00 0.00 C ATOM 192 C THR A 12 78.619 -6.705 -4.168 1.00 0.00 C ATOM 193 O THR A 12 79.808 -6.993 -4.032 1.00 0.00 O ATOM 194 CB THR A 12 78.015 -8.222 -6.056 1.00 0.00 C ATOM 195 OG1 THR A 12 77.558 -8.264 -7.401 1.00 0.00 O ATOM 196 CG2 THR A 12 77.131 -9.119 -5.186 1.00 0.00 C ATOM 0 H THR A 12 79.447 -6.287 -6.933 1.00 0.00 H new ATOM 0 HA THR A 12 76.914 -6.470 -5.450 1.00 0.00 H new ATOM 0 HB THR A 12 79.044 -8.579 -6.010 1.00 0.00 H new ATOM 0 HG1 THR A 12 77.598 -9.186 -7.732 1.00 0.00 H new ATOM 0 HG21 THR A 12 77.177 -10.144 -5.555 1.00 0.00 H new ATOM 0 HG22 THR A 12 77.484 -9.089 -4.155 1.00 0.00 H new ATOM 0 HG23 THR A 12 76.101 -8.765 -5.227 1.00 0.00 H new ATOM 204 N ILE A 13 77.848 -6.317 -3.153 1.00 0.00 N ATOM 205 CA ILE A 13 78.390 -6.215 -1.800 1.00 0.00 C ATOM 206 C ILE A 13 78.027 -7.445 -0.977 1.00 0.00 C ATOM 207 O ILE A 13 76.852 -7.780 -0.832 1.00 0.00 O ATOM 208 CB ILE A 13 77.845 -4.968 -1.096 1.00 0.00 C ATOM 209 CG1 ILE A 13 77.232 -4.016 -2.128 1.00 0.00 C ATOM 210 CG2 ILE A 13 78.981 -4.256 -0.354 1.00 0.00 C ATOM 211 CD1 ILE A 13 76.977 -2.654 -1.480 1.00 0.00 C ATOM 0 H ILE A 13 76.862 -6.072 -3.239 1.00 0.00 H new ATOM 0 HA ILE A 13 79.475 -6.144 -1.883 1.00 0.00 H new ATOM 0 HB ILE A 13 77.078 -5.268 -0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 13 77.903 -3.905 -2.980 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.298 -4.429 -2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.590 -3.370 0.146 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.410 -4.930 0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 13 79.752 -3.961 -1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 13 76.541 -1.977 -2.215 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.289 -2.772 -0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 13 77.919 -2.240 -1.120 1.00 0.00 H new ATOM 223 N THR A 14 79.042 -8.104 -0.430 1.00 0.00 N ATOM 224 CA THR A 14 78.817 -9.287 0.393 1.00 0.00 C ATOM 225 C THR A 14 78.982 -8.929 1.867 1.00 0.00 C ATOM 226 O THR A 14 79.982 -8.329 2.258 1.00 0.00 O ATOM 227 CB THR A 14 79.813 -10.386 0.015 1.00 0.00 C ATOM 228 OG1 THR A 14 79.691 -10.677 -1.371 1.00 0.00 O ATOM 229 CG2 THR A 14 79.519 -11.645 0.831 1.00 0.00 C ATOM 0 H THR A 14 80.022 -7.842 -0.540 1.00 0.00 H new ATOM 0 HA THR A 14 77.804 -9.651 0.221 1.00 0.00 H new ATOM 0 HB THR A 14 80.827 -10.047 0.227 1.00 0.00 H new ATOM 0 HG1 THR A 14 78.918 -11.261 -1.516 1.00 0.00 H new ATOM 0 HG21 THR A 14 80.229 -12.427 0.561 1.00 0.00 H new ATOM 0 HG22 THR A 14 79.613 -11.420 1.893 1.00 0.00 H new ATOM 0 HG23 THR A 14 78.505 -11.986 0.621 1.00 0.00 H new ATOM 237 N LEU A 15 77.993 -9.291 2.679 1.00 0.00 N ATOM 238 CA LEU A 15 78.045 -8.984 4.105 1.00 0.00 C ATOM 239 C LEU A 15 77.485 -10.137 4.932 1.00 0.00 C ATOM 240 O LEU A 15 76.720 -10.962 4.432 1.00 0.00 O ATOM 241 CB LEU A 15 77.224 -7.722 4.426 1.00 0.00 C ATOM 242 CG LEU A 15 77.172 -6.762 3.226 1.00 0.00 C ATOM 243 CD1 LEU A 15 76.155 -5.656 3.516 1.00 0.00 C ATOM 244 CD2 LEU A 15 78.550 -6.133 3.006 1.00 0.00 C ATOM 0 H LEU A 15 77.156 -9.791 2.379 1.00 0.00 H new ATOM 0 HA LEU A 15 79.092 -8.820 4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.211 -8.008 4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.661 -7.211 5.283 1.00 0.00 H new ATOM 0 HG LEU A 15 76.880 -7.313 2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 15 76.112 -4.970 2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 15 75.172 -6.099 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 15 76.456 -5.110 4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.508 -5.454 2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.844 -5.580 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 15 79.281 -6.917 2.809 1.00 0.00 H new ATOM 256 N GLU A 16 77.848 -10.162 6.210 1.00 0.00 N ATOM 257 CA GLU A 16 77.354 -11.189 7.119 1.00 0.00 C ATOM 258 C GLU A 16 76.147 -10.638 7.867 1.00 0.00 C ATOM 259 O GLU A 16 76.230 -9.572 8.476 1.00 0.00 O ATOM 260 CB GLU A 16 78.448 -11.586 8.113 1.00 0.00 C ATOM 261 CG GLU A 16 78.036 -12.867 8.842 1.00 0.00 C ATOM 262 CD GLU A 16 78.372 -12.760 10.326 1.00 0.00 C ATOM 263 OE1 GLU A 16 78.058 -11.739 10.914 1.00 0.00 O ATOM 264 OE2 GLU A 16 78.938 -13.704 10.854 1.00 0.00 O ATOM 0 H GLU A 16 78.480 -9.486 6.638 1.00 0.00 H new ATOM 0 HA GLU A 16 77.067 -12.074 6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 16 79.391 -11.741 7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 16 78.610 -10.782 8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 16 76.967 -13.038 8.715 1.00 0.00 H new ATOM 0 HG3 GLU A 16 78.550 -13.724 8.406 1.00 0.00 H new ATOM 271 N VAL A 17 75.022 -11.344 7.796 1.00 0.00 N ATOM 272 CA VAL A 17 73.810 -10.870 8.456 1.00 0.00 C ATOM 273 C VAL A 17 73.064 -11.990 9.174 1.00 0.00 C ATOM 274 O VAL A 17 73.031 -13.132 8.718 1.00 0.00 O ATOM 275 CB VAL A 17 72.882 -10.237 7.420 1.00 0.00 C ATOM 276 CG1 VAL A 17 73.682 -9.331 6.489 1.00 0.00 C ATOM 277 CG2 VAL A 17 72.205 -11.338 6.601 1.00 0.00 C ATOM 0 H VAL A 17 74.924 -12.229 7.299 1.00 0.00 H new ATOM 0 HA VAL A 17 74.112 -10.138 9.205 1.00 0.00 H new ATOM 0 HB VAL A 17 72.125 -9.644 7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 17 73.013 -8.884 5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 17 74.161 -8.543 7.071 1.00 0.00 H new ATOM 0 HG13 VAL A 17 74.444 -9.918 5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 17 71.543 -10.887 5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 17 72.964 -11.933 6.093 1.00 0.00 H new ATOM 0 HG23 VAL A 17 71.625 -11.980 7.264 1.00 0.00 H new ATOM 287 N GLU A 18 72.447 -11.629 10.297 1.00 0.00 N ATOM 288 CA GLU A 18 71.669 -12.575 11.094 1.00 0.00 C ATOM 289 C GLU A 18 70.179 -12.252 10.954 1.00 0.00 C ATOM 290 O GLU A 18 69.815 -11.103 10.757 1.00 0.00 O ATOM 291 CB GLU A 18 72.063 -12.465 12.566 1.00 0.00 C ATOM 292 CG GLU A 18 73.218 -13.423 12.872 1.00 0.00 C ATOM 293 CD GLU A 18 74.394 -13.150 11.941 1.00 0.00 C ATOM 294 OE1 GLU A 18 75.341 -12.520 12.383 1.00 0.00 O ATOM 295 OE2 GLU A 18 74.335 -13.582 10.802 1.00 0.00 O ATOM 0 H GLU A 18 72.471 -10.683 10.677 1.00 0.00 H new ATOM 0 HA GLU A 18 71.868 -13.586 10.739 1.00 0.00 H new ATOM 0 HB2 GLU A 18 72.358 -11.441 12.797 1.00 0.00 H new ATOM 0 HB3 GLU A 18 71.207 -12.700 13.199 1.00 0.00 H new ATOM 0 HG2 GLU A 18 73.532 -13.305 13.909 1.00 0.00 H new ATOM 0 HG3 GLU A 18 72.885 -14.454 12.755 1.00 0.00 H new ATOM 302 N PRO A 19 69.315 -13.224 11.053 1.00 0.00 N ATOM 303 CA PRO A 19 67.849 -13.006 10.920 1.00 0.00 C ATOM 304 C PRO A 19 67.366 -11.665 11.492 1.00 0.00 C ATOM 305 O PRO A 19 66.486 -11.041 10.913 1.00 0.00 O ATOM 306 CB PRO A 19 67.260 -14.177 11.701 1.00 0.00 C ATOM 307 CG PRO A 19 68.251 -15.288 11.550 1.00 0.00 C ATOM 308 CD PRO A 19 69.622 -14.642 11.307 1.00 0.00 C ATOM 0 HA PRO A 19 67.543 -12.962 9.875 1.00 0.00 H new ATOM 0 HB2 PRO A 19 67.116 -13.918 12.750 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.285 -14.463 11.306 1.00 0.00 H new ATOM 0 HG2 PRO A 19 68.272 -15.910 12.445 1.00 0.00 H new ATOM 0 HG3 PRO A 19 67.978 -15.937 10.718 1.00 0.00 H new ATOM 0 HD2 PRO A 19 70.276 -14.759 12.171 1.00 0.00 H new ATOM 0 HD3 PRO A 19 70.132 -15.097 10.458 1.00 0.00 H new ATOM 316 N SER A 20 67.921 -11.225 12.625 1.00 0.00 N ATOM 317 CA SER A 20 67.478 -9.959 13.229 1.00 0.00 C ATOM 318 C SER A 20 68.097 -8.753 12.519 1.00 0.00 C ATOM 319 O SER A 20 68.024 -7.617 12.991 1.00 0.00 O ATOM 320 CB SER A 20 67.836 -9.926 14.715 1.00 0.00 C ATOM 321 OG SER A 20 69.199 -10.297 14.877 1.00 0.00 O ATOM 0 H SER A 20 68.660 -11.710 13.134 1.00 0.00 H new ATOM 0 HA SER A 20 66.395 -9.900 13.117 1.00 0.00 H new ATOM 0 HB2 SER A 20 67.668 -8.928 15.119 1.00 0.00 H new ATOM 0 HB3 SER A 20 67.193 -10.608 15.271 1.00 0.00 H new ATOM 0 HG SER A 20 69.433 -10.275 15.828 1.00 0.00 H new ATOM 327 N ASP A 21 68.664 -9.032 11.368 1.00 0.00 N ATOM 328 CA ASP A 21 69.280 -8.036 10.497 1.00 0.00 C ATOM 329 C ASP A 21 68.215 -7.341 9.692 1.00 0.00 C ATOM 330 O ASP A 21 68.265 -7.310 8.463 1.00 0.00 O ATOM 331 CB ASP A 21 70.314 -8.628 9.574 1.00 0.00 C ATOM 332 CG ASP A 21 71.597 -8.901 10.348 1.00 0.00 C ATOM 333 OD1 ASP A 21 71.525 -9.593 11.351 1.00 0.00 O ATOM 334 OD2 ASP A 21 72.633 -8.408 9.933 1.00 0.00 O ATOM 0 H ASP A 21 68.715 -9.980 10.995 1.00 0.00 H new ATOM 0 HA ASP A 21 69.797 -7.322 11.138 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.938 -9.553 9.137 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.514 -7.944 8.750 1.00 0.00 H new ATOM 339 N THR A 22 67.188 -6.912 10.380 1.00 0.00 N ATOM 340 CA THR A 22 66.027 -6.361 9.708 1.00 0.00 C ATOM 341 C THR A 22 66.379 -5.099 8.952 1.00 0.00 C ATOM 342 O THR A 22 67.252 -4.335 9.343 1.00 0.00 O ATOM 343 CB THR A 22 64.989 -5.958 10.758 1.00 0.00 C ATOM 344 OG1 THR A 22 65.108 -4.565 11.014 1.00 0.00 O ATOM 345 CG2 THR A 22 65.240 -6.727 12.049 1.00 0.00 C ATOM 0 H THR A 22 67.126 -6.931 11.398 1.00 0.00 H new ATOM 0 HA THR A 22 65.652 -7.120 9.021 1.00 0.00 H new ATOM 0 HB THR A 22 63.989 -6.187 10.390 1.00 0.00 H new ATOM 0 HG1 THR A 22 64.445 -4.298 11.685 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.499 -6.438 12.795 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.162 -7.797 11.856 1.00 0.00 H new ATOM 0 HG23 THR A 22 66.238 -6.497 12.421 1.00 0.00 H new ATOM 353 N ILE A 23 65.688 -4.946 7.827 1.00 0.00 N ATOM 354 CA ILE A 23 65.879 -3.830 6.912 1.00 0.00 C ATOM 355 C ILE A 23 66.434 -2.602 7.626 1.00 0.00 C ATOM 356 O ILE A 23 67.292 -1.899 7.093 1.00 0.00 O ATOM 357 CB ILE A 23 64.538 -3.499 6.263 1.00 0.00 C ATOM 358 CG1 ILE A 23 63.747 -4.795 5.996 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.756 -2.750 4.950 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.620 -5.836 5.274 1.00 0.00 C ATOM 0 H ILE A 23 64.970 -5.604 7.523 1.00 0.00 H new ATOM 0 HA ILE A 23 66.608 -4.118 6.154 1.00 0.00 H new ATOM 0 HB ILE A 23 63.969 -2.865 6.943 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.389 -5.207 6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 23 62.868 -4.571 5.392 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.791 -2.520 4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 23 65.295 -1.823 5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.337 -3.371 4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 23 64.037 -6.740 5.098 1.00 0.00 H new ATOM 0 HD12 ILE A 23 64.957 -5.430 4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 23 65.485 -6.076 5.892 1.00 0.00 H new ATOM 372 N GLU A 24 65.949 -2.355 8.836 1.00 0.00 N ATOM 373 CA GLU A 24 66.416 -1.212 9.611 1.00 0.00 C ATOM 374 C GLU A 24 67.888 -1.395 9.986 1.00 0.00 C ATOM 375 O GLU A 24 68.710 -0.506 9.769 1.00 0.00 O ATOM 376 CB GLU A 24 65.563 -1.062 10.872 1.00 0.00 C ATOM 377 CG GLU A 24 65.974 0.206 11.622 1.00 0.00 C ATOM 378 CD GLU A 24 65.006 0.467 12.771 1.00 0.00 C ATOM 379 OE1 GLU A 24 64.219 1.392 12.657 1.00 0.00 O ATOM 380 OE2 GLU A 24 65.062 -0.266 13.745 1.00 0.00 O ATOM 0 H GLU A 24 65.240 -2.924 9.299 1.00 0.00 H new ATOM 0 HA GLU A 24 66.322 -0.309 9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.507 -1.013 10.605 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.689 -1.934 11.514 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.988 0.099 12.007 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.980 1.056 10.940 1.00 0.00 H new ATOM 387 N ASN A 25 68.211 -2.563 10.532 1.00 0.00 N ATOM 388 CA ASN A 25 69.585 -2.876 10.920 1.00 0.00 C ATOM 389 C ASN A 25 70.459 -3.078 9.684 1.00 0.00 C ATOM 390 O ASN A 25 71.589 -2.592 9.625 1.00 0.00 O ATOM 391 CB ASN A 25 69.607 -4.153 11.766 1.00 0.00 C ATOM 392 CG ASN A 25 70.118 -3.838 13.168 1.00 0.00 C ATOM 393 OD1 ASN A 25 69.363 -3.918 14.137 1.00 0.00 O ATOM 394 ND2 ASN A 25 71.359 -3.471 13.332 1.00 0.00 N ATOM 0 H ASN A 25 67.541 -3.310 10.716 1.00 0.00 H new ATOM 0 HA ASN A 25 69.978 -2.041 11.500 1.00 0.00 H new ATOM 0 HB2 ASN A 25 68.606 -4.580 11.822 1.00 0.00 H new ATOM 0 HB3 ASN A 25 70.246 -4.900 11.296 1.00 0.00 H new ATOM 0 HD21 ASN A 25 71.706 -3.249 14.265 1.00 0.00 H new ATOM 0 HD22 ASN A 25 71.982 -3.406 12.527 1.00 0.00 H new ATOM 401 N ALA A 26 69.930 -3.806 8.706 1.00 0.00 N ATOM 402 CA ALA A 26 70.671 -4.079 7.478 1.00 0.00 C ATOM 403 C ALA A 26 71.025 -2.784 6.754 1.00 0.00 C ATOM 404 O ALA A 26 72.135 -2.631 6.243 1.00 0.00 O ATOM 405 CB ALA A 26 69.837 -4.968 6.553 1.00 0.00 C ATOM 0 H ALA A 26 68.997 -4.216 8.738 1.00 0.00 H new ATOM 0 HA ALA A 26 71.595 -4.591 7.746 1.00 0.00 H new ATOM 0 HB1 ALA A 26 70.396 -5.168 5.639 1.00 0.00 H new ATOM 0 HB2 ALA A 26 69.615 -5.909 7.056 1.00 0.00 H new ATOM 0 HB3 ALA A 26 68.905 -4.461 6.305 1.00 0.00 H new ATOM 411 N LYS A 27 70.076 -1.855 6.712 1.00 0.00 N ATOM 412 CA LYS A 27 70.302 -0.578 6.045 1.00 0.00 C ATOM 413 C LYS A 27 71.463 0.166 6.696 1.00 0.00 C ATOM 414 O LYS A 27 72.198 0.896 6.032 1.00 0.00 O ATOM 415 CB LYS A 27 69.040 0.283 6.124 1.00 0.00 C ATOM 416 CG LYS A 27 68.104 -0.071 4.967 1.00 0.00 C ATOM 417 CD LYS A 27 66.709 0.492 5.250 1.00 0.00 C ATOM 418 CE LYS A 27 65.885 0.491 3.963 1.00 0.00 C ATOM 419 NZ LYS A 27 65.841 1.870 3.400 1.00 0.00 N ATOM 0 H LYS A 27 69.151 -1.960 7.128 1.00 0.00 H new ATOM 0 HA LYS A 27 70.546 -0.773 5.001 1.00 0.00 H new ATOM 0 HB2 LYS A 27 68.535 0.120 7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 27 69.305 1.339 6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.491 0.338 4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 27 68.053 -1.153 4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.212 -0.107 6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.788 1.506 5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 27 66.323 -0.195 3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 27 64.874 0.137 4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 65.981 1.829 2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 64.917 2.300 3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 66.594 2.444 3.829 1.00 0.00 H new ATOM 433 N ALA A 28 71.617 -0.021 8.002 1.00 0.00 N ATOM 434 CA ALA A 28 72.688 0.638 8.739 1.00 0.00 C ATOM 435 C ALA A 28 74.051 0.113 8.297 1.00 0.00 C ATOM 436 O ALA A 28 75.023 0.866 8.221 1.00 0.00 O ATOM 437 CB ALA A 28 72.509 0.401 10.239 1.00 0.00 C ATOM 0 H ALA A 28 71.017 -0.620 8.569 1.00 0.00 H new ATOM 0 HA ALA A 28 72.642 1.707 8.530 1.00 0.00 H new ATOM 0 HB1 ALA A 28 73.313 0.896 10.784 1.00 0.00 H new ATOM 0 HB2 ALA A 28 71.549 0.807 10.560 1.00 0.00 H new ATOM 0 HB3 ALA A 28 72.537 -0.669 10.444 1.00 0.00 H new ATOM 443 N LYS A 29 74.117 -1.182 8.011 1.00 0.00 N ATOM 444 CA LYS A 29 75.368 -1.797 7.583 1.00 0.00 C ATOM 445 C LYS A 29 75.799 -1.259 6.221 1.00 0.00 C ATOM 446 O LYS A 29 76.974 -0.961 6.006 1.00 0.00 O ATOM 447 CB LYS A 29 75.202 -3.316 7.504 1.00 0.00 C ATOM 448 CG LYS A 29 75.561 -3.939 8.854 1.00 0.00 C ATOM 449 CD LYS A 29 75.338 -5.453 8.794 1.00 0.00 C ATOM 450 CE LYS A 29 75.696 -6.076 10.144 1.00 0.00 C ATOM 451 NZ LYS A 29 74.899 -5.421 11.220 1.00 0.00 N ATOM 0 H LYS A 29 73.325 -1.823 8.067 1.00 0.00 H new ATOM 0 HA LYS A 29 76.138 -1.551 8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 29 74.175 -3.567 7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.843 -3.722 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.601 -3.723 9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 29 74.949 -3.502 9.643 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.299 -5.669 8.546 1.00 0.00 H new ATOM 0 HD3 LYS A 29 75.951 -5.890 8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 29 75.494 -7.147 10.128 1.00 0.00 H new ATOM 0 HE3 LYS A 29 76.761 -5.956 10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 74.859 -6.045 12.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 75.347 -4.520 11.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 73.934 -5.240 10.876 1.00 0.00 H new ATOM 465 N ILE A 30 74.843 -1.138 5.307 1.00 0.00 N ATOM 466 CA ILE A 30 75.139 -0.635 3.971 1.00 0.00 C ATOM 467 C ILE A 30 75.544 0.833 4.030 1.00 0.00 C ATOM 468 O ILE A 30 76.426 1.274 3.293 1.00 0.00 O ATOM 469 CB ILE A 30 73.916 -0.802 3.070 1.00 0.00 C ATOM 470 CG1 ILE A 30 73.919 -2.218 2.491 1.00 0.00 C ATOM 471 CG2 ILE A 30 73.966 0.216 1.927 1.00 0.00 C ATOM 472 CD1 ILE A 30 72.559 -2.514 1.865 1.00 0.00 C ATOM 0 H ILE A 30 73.864 -1.379 5.464 1.00 0.00 H new ATOM 0 HA ILE A 30 75.970 -1.208 3.559 1.00 0.00 H new ATOM 0 HB ILE A 30 73.009 -0.637 3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 30 74.705 -2.315 1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 30 74.136 -2.943 3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 30 73.091 0.090 1.289 1.00 0.00 H new ATOM 0 HG22 ILE A 30 73.973 1.225 2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 30 74.870 0.058 1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 30 72.560 -3.523 1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 30 71.783 -2.434 2.626 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.361 -1.796 1.069 1.00 0.00 H new ATOM 484 N GLN A 31 74.893 1.584 4.910 1.00 0.00 N ATOM 485 CA GLN A 31 75.193 3.003 5.057 1.00 0.00 C ATOM 486 C GLN A 31 76.666 3.210 5.392 1.00 0.00 C ATOM 487 O GLN A 31 77.335 4.052 4.799 1.00 0.00 O ATOM 488 CB GLN A 31 74.326 3.609 6.162 1.00 0.00 C ATOM 489 CG GLN A 31 74.912 4.955 6.592 1.00 0.00 C ATOM 490 CD GLN A 31 73.849 5.784 7.306 1.00 0.00 C ATOM 491 OE1 GLN A 31 73.625 6.942 6.952 1.00 0.00 O ATOM 492 NE2 GLN A 31 73.183 5.260 8.296 1.00 0.00 N ATOM 0 H GLN A 31 74.159 1.238 5.528 1.00 0.00 H new ATOM 0 HA GLN A 31 74.975 3.499 4.111 1.00 0.00 H new ATOM 0 HB2 GLN A 31 73.305 3.743 5.805 1.00 0.00 H new ATOM 0 HB3 GLN A 31 74.280 2.932 7.015 1.00 0.00 H new ATOM 0 HG2 GLN A 31 75.764 4.795 7.252 1.00 0.00 H new ATOM 0 HG3 GLN A 31 75.281 5.495 5.720 1.00 0.00 H new ATOM 0 HE21 GLN A 31 73.371 4.300 8.586 1.00 0.00 H new ATOM 0 HE22 GLN A 31 72.473 5.809 8.781 1.00 0.00 H new ATOM 501 N ASP A 32 77.165 2.439 6.350 1.00 0.00 N ATOM 502 CA ASP A 32 78.561 2.552 6.760 1.00 0.00 C ATOM 503 C ASP A 32 79.501 2.126 5.634 1.00 0.00 C ATOM 504 O ASP A 32 80.696 2.417 5.671 1.00 0.00 O ATOM 505 CB ASP A 32 78.814 1.681 7.991 1.00 0.00 C ATOM 506 CG ASP A 32 80.269 1.224 8.015 1.00 0.00 C ATOM 507 OD1 ASP A 32 80.589 0.294 7.293 1.00 0.00 O ATOM 508 OD2 ASP A 32 81.043 1.811 8.755 1.00 0.00 O ATOM 0 H ASP A 32 76.629 1.733 6.855 1.00 0.00 H new ATOM 0 HA ASP A 32 78.759 3.597 7.000 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.585 2.242 8.897 1.00 0.00 H new ATOM 0 HB3 ASP A 32 78.152 0.815 7.977 1.00 0.00 H new ATOM 513 N LYS A 33 78.961 1.423 4.643 1.00 0.00 N ATOM 514 CA LYS A 33 79.777 0.952 3.526 1.00 0.00 C ATOM 515 C LYS A 33 79.729 1.918 2.343 1.00 0.00 C ATOM 516 O LYS A 33 80.754 2.184 1.714 1.00 0.00 O ATOM 517 CB LYS A 33 79.288 -0.425 3.071 1.00 0.00 C ATOM 518 CG LYS A 33 79.638 -1.470 4.132 1.00 0.00 C ATOM 519 CD LYS A 33 80.787 -2.344 3.629 1.00 0.00 C ATOM 520 CE LYS A 33 81.144 -3.383 4.694 1.00 0.00 C ATOM 521 NZ LYS A 33 82.116 -2.793 5.656 1.00 0.00 N ATOM 0 H LYS A 33 77.975 1.169 4.589 1.00 0.00 H new ATOM 0 HA LYS A 33 80.808 0.890 3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 33 78.210 -0.404 2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 33 79.749 -0.690 2.119 1.00 0.00 H new ATOM 0 HG2 LYS A 33 79.922 -0.978 5.062 1.00 0.00 H new ATOM 0 HG3 LYS A 33 78.767 -2.087 4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 33 80.501 -2.841 2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 33 81.656 -1.726 3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 33 80.245 -3.704 5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 33 81.572 -4.269 4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 82.359 -3.499 6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 82.977 -2.507 5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 81.691 -1.961 6.112 1.00 0.00 H new ATOM 535 N GLU A 34 78.538 2.422 2.030 1.00 0.00 N ATOM 536 CA GLU A 34 78.383 3.336 0.900 1.00 0.00 C ATOM 537 C GLU A 34 78.217 4.783 1.363 1.00 0.00 C ATOM 538 O GLU A 34 78.502 5.716 0.612 1.00 0.00 O ATOM 539 CB GLU A 34 77.165 2.925 0.068 1.00 0.00 C ATOM 540 CG GLU A 34 77.388 1.523 -0.504 1.00 0.00 C ATOM 541 CD GLU A 34 76.373 1.243 -1.607 1.00 0.00 C ATOM 542 OE1 GLU A 34 76.726 1.407 -2.765 1.00 0.00 O ATOM 543 OE2 GLU A 34 75.259 0.869 -1.280 1.00 0.00 O ATOM 0 H GLU A 34 77.676 2.217 2.535 1.00 0.00 H new ATOM 0 HA GLU A 34 79.288 3.276 0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 34 76.267 2.939 0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 34 77.006 3.638 -0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 34 78.400 1.439 -0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 34 77.293 0.779 0.287 1.00 0.00 H new ATOM 550 N GLY A 35 77.753 4.968 2.594 1.00 0.00 N ATOM 551 CA GLY A 35 77.557 6.316 3.122 1.00 0.00 C ATOM 552 C GLY A 35 76.206 6.875 2.692 1.00 0.00 C ATOM 553 O GLY A 35 76.018 8.090 2.626 1.00 0.00 O ATOM 0 H GLY A 35 77.508 4.215 3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 35 77.618 6.298 4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 35 78.355 6.969 2.769 1.00 0.00 H new ATOM 557 N ILE A 36 75.266 5.982 2.400 1.00 0.00 N ATOM 558 CA ILE A 36 73.935 6.396 1.974 1.00 0.00 C ATOM 559 C ILE A 36 72.978 6.414 3.176 1.00 0.00 C ATOM 560 O ILE A 36 72.952 5.459 3.953 1.00 0.00 O ATOM 561 CB ILE A 36 73.410 5.423 0.912 1.00 0.00 C ATOM 562 CG1 ILE A 36 74.439 5.295 -0.214 1.00 0.00 C ATOM 563 CG2 ILE A 36 72.095 5.948 0.330 1.00 0.00 C ATOM 564 CD1 ILE A 36 73.992 4.208 -1.193 1.00 0.00 C ATOM 0 H ILE A 36 75.400 4.972 2.450 1.00 0.00 H new ATOM 0 HA ILE A 36 73.993 7.399 1.552 1.00 0.00 H new ATOM 0 HB ILE A 36 73.240 4.450 1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 36 74.545 6.247 -0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 36 75.417 5.047 0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 36 71.727 5.252 -0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.357 6.043 1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 36 72.263 6.923 -0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 36 74.725 4.117 -1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 36 73.909 3.257 -0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 36 73.023 4.475 -1.615 1.00 0.00 H new ATOM 576 N PRO A 37 72.190 7.458 3.360 1.00 0.00 N ATOM 577 CA PRO A 37 71.239 7.534 4.509 1.00 0.00 C ATOM 578 C PRO A 37 70.023 6.614 4.306 1.00 0.00 C ATOM 579 O PRO A 37 69.359 6.699 3.273 1.00 0.00 O ATOM 580 CB PRO A 37 70.804 9.001 4.521 1.00 0.00 C ATOM 581 CG PRO A 37 70.958 9.469 3.114 1.00 0.00 C ATOM 582 CD PRO A 37 72.114 8.667 2.516 1.00 0.00 C ATOM 0 HA PRO A 37 71.697 7.210 5.444 1.00 0.00 H new ATOM 0 HB2 PRO A 37 69.773 9.103 4.859 1.00 0.00 H new ATOM 0 HB3 PRO A 37 71.421 9.589 5.201 1.00 0.00 H new ATOM 0 HG2 PRO A 37 70.040 9.308 2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 37 71.169 10.538 3.081 1.00 0.00 H new ATOM 0 HD2 PRO A 37 71.925 8.413 1.473 1.00 0.00 H new ATOM 0 HD3 PRO A 37 73.046 9.231 2.543 1.00 0.00 H new ATOM 590 N PRO A 38 69.707 5.745 5.247 1.00 0.00 N ATOM 591 CA PRO A 38 68.540 4.824 5.116 1.00 0.00 C ATOM 592 C PRO A 38 67.297 5.524 4.566 1.00 0.00 C ATOM 593 O PRO A 38 66.334 4.870 4.161 1.00 0.00 O ATOM 594 CB PRO A 38 68.294 4.349 6.547 1.00 0.00 C ATOM 595 CG PRO A 38 69.621 4.424 7.223 1.00 0.00 C ATOM 596 CD PRO A 38 70.415 5.532 6.527 1.00 0.00 C ATOM 0 HA PRO A 38 68.743 4.016 4.413 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.561 4.980 7.050 1.00 0.00 H new ATOM 0 HB3 PRO A 38 67.903 3.332 6.561 1.00 0.00 H new ATOM 0 HG2 PRO A 38 69.502 4.643 8.284 1.00 0.00 H new ATOM 0 HG3 PRO A 38 70.145 3.471 7.151 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.435 6.442 7.126 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.451 5.235 6.363 1.00 0.00 H new ATOM 604 N ASP A 39 67.317 6.851 4.562 1.00 0.00 N ATOM 605 CA ASP A 39 66.178 7.622 4.070 1.00 0.00 C ATOM 606 C ASP A 39 66.060 7.529 2.551 1.00 0.00 C ATOM 607 O ASP A 39 64.984 7.746 1.993 1.00 0.00 O ATOM 608 CB ASP A 39 66.325 9.088 4.484 1.00 0.00 C ATOM 609 CG ASP A 39 65.637 9.320 5.826 1.00 0.00 C ATOM 610 OD1 ASP A 39 66.266 9.887 6.703 1.00 0.00 O ATOM 611 OD2 ASP A 39 64.491 8.919 5.957 1.00 0.00 O ATOM 0 H ASP A 39 68.102 7.414 4.891 1.00 0.00 H new ATOM 0 HA ASP A 39 65.273 7.203 4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 39 67.380 9.350 4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 39 65.887 9.735 3.724 1.00 0.00 H new ATOM 616 N GLN A 40 67.170 7.210 1.887 1.00 0.00 N ATOM 617 CA GLN A 40 67.178 7.097 0.430 1.00 0.00 C ATOM 618 C GLN A 40 67.395 5.651 -0.004 1.00 0.00 C ATOM 619 O GLN A 40 67.050 5.271 -1.122 1.00 0.00 O ATOM 620 CB GLN A 40 68.286 7.977 -0.153 1.00 0.00 C ATOM 621 CG GLN A 40 67.752 9.393 -0.376 1.00 0.00 C ATOM 622 CD GLN A 40 68.911 10.381 -0.449 1.00 0.00 C ATOM 623 OE1 GLN A 40 69.415 10.669 -1.533 1.00 0.00 O ATOM 624 NE2 GLN A 40 69.366 10.919 0.650 1.00 0.00 N ATOM 0 H GLN A 40 68.070 7.026 2.331 1.00 0.00 H new ATOM 0 HA GLN A 40 66.209 7.430 0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 40 69.139 8.002 0.525 1.00 0.00 H new ATOM 0 HB3 GLN A 40 68.639 7.558 -1.095 1.00 0.00 H new ATOM 0 HG2 GLN A 40 67.172 9.431 -1.298 1.00 0.00 H new ATOM 0 HG3 GLN A 40 67.079 9.669 0.436 1.00 0.00 H new ATOM 0 HE21 GLN A 40 68.946 10.678 1.548 1.00 0.00 H new ATOM 0 HE22 GLN A 40 70.142 11.580 0.611 1.00 0.00 H new ATOM 633 N GLN A 41 67.977 4.850 0.882 1.00 0.00 N ATOM 634 CA GLN A 41 68.242 3.449 0.571 1.00 0.00 C ATOM 635 C GLN A 41 66.938 2.686 0.351 1.00 0.00 C ATOM 636 O GLN A 41 66.016 2.767 1.161 1.00 0.00 O ATOM 637 CB GLN A 41 69.025 2.792 1.710 1.00 0.00 C ATOM 638 CG GLN A 41 70.251 3.640 2.056 1.00 0.00 C ATOM 639 CD GLN A 41 70.938 3.075 3.294 1.00 0.00 C ATOM 640 OE1 GLN A 41 71.188 3.803 4.255 1.00 0.00 O ATOM 641 NE2 GLN A 41 71.251 1.810 3.333 1.00 0.00 N ATOM 0 H GLN A 41 68.272 5.143 1.813 1.00 0.00 H new ATOM 0 HA GLN A 41 68.832 3.414 -0.345 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.387 2.685 2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 41 69.336 1.789 1.418 1.00 0.00 H new ATOM 0 HG2 GLN A 41 70.946 3.650 1.216 1.00 0.00 H new ATOM 0 HG3 GLN A 41 69.951 4.673 2.235 1.00 0.00 H new ATOM 0 HE21 GLN A 41 71.043 1.208 2.536 1.00 0.00 H new ATOM 0 HE22 GLN A 41 71.704 1.422 4.161 1.00 0.00 H new ATOM 650 N ARG A 42 66.876 1.939 -0.747 1.00 0.00 N ATOM 651 CA ARG A 42 65.689 1.154 -1.068 1.00 0.00 C ATOM 652 C ARG A 42 66.082 -0.268 -1.454 1.00 0.00 C ATOM 653 O ARG A 42 66.691 -0.490 -2.501 1.00 0.00 O ATOM 654 CB ARG A 42 64.923 1.802 -2.220 1.00 0.00 C ATOM 655 CG ARG A 42 63.444 1.917 -1.847 1.00 0.00 C ATOM 656 CD ARG A 42 62.639 2.323 -3.079 1.00 0.00 C ATOM 657 NE ARG A 42 61.771 3.454 -2.767 1.00 0.00 N ATOM 658 CZ ARG A 42 60.568 3.272 -2.232 1.00 0.00 C ATOM 659 NH1 ARG A 42 59.813 4.302 -1.962 1.00 0.00 N ATOM 660 NH2 ARG A 42 60.141 2.066 -1.980 1.00 0.00 N ATOM 0 H ARG A 42 67.632 1.861 -1.428 1.00 0.00 H new ATOM 0 HA ARG A 42 65.050 1.121 -0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.333 2.789 -2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 42 65.035 1.207 -3.126 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.081 0.965 -1.459 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.314 2.654 -1.055 1.00 0.00 H new ATOM 0 HD2 ARG A 42 63.315 2.588 -3.892 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.040 1.480 -3.424 1.00 0.00 H new ATOM 0 HE ARG A 42 62.094 4.402 -2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 42 60.146 5.245 -2.162 1.00 0.00 H new ATOM 0 HH12 ARG A 42 58.890 4.164 -1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 42 60.730 1.261 -2.193 1.00 0.00 H new ATOM 0 HH22 ARG A 42 59.218 1.927 -1.569 1.00 0.00 H new ATOM 674 N LEU A 43 65.734 -1.229 -0.604 1.00 0.00 N ATOM 675 CA LEU A 43 66.061 -2.625 -0.872 1.00 0.00 C ATOM 676 C LEU A 43 64.890 -3.331 -1.545 1.00 0.00 C ATOM 677 O LEU A 43 63.792 -3.396 -0.993 1.00 0.00 O ATOM 678 CB LEU A 43 66.410 -3.343 0.432 1.00 0.00 C ATOM 679 CG LEU A 43 67.478 -2.548 1.186 1.00 0.00 C ATOM 680 CD1 LEU A 43 67.823 -3.265 2.494 1.00 0.00 C ATOM 681 CD2 LEU A 43 68.737 -2.433 0.323 1.00 0.00 C ATOM 0 H LEU A 43 65.230 -1.069 0.268 1.00 0.00 H new ATOM 0 HA LEU A 43 66.921 -2.652 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 43 65.518 -3.450 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 43 66.773 -4.348 0.219 1.00 0.00 H new ATOM 0 HG LEU A 43 67.096 -1.551 1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 43 68.584 -2.698 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 43 66.928 -3.346 3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 43 68.203 -4.263 2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 43 69.497 -1.866 0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 43 69.118 -3.430 0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 43 68.494 -1.921 -0.608 1.00 0.00 H new ATOM 693 N ILE A 44 65.136 -3.859 -2.741 1.00 0.00 N ATOM 694 CA ILE A 44 64.102 -4.565 -3.493 1.00 0.00 C ATOM 695 C ILE A 44 64.485 -6.033 -3.665 1.00 0.00 C ATOM 696 O ILE A 44 65.574 -6.346 -4.148 1.00 0.00 O ATOM 697 CB ILE A 44 63.920 -3.922 -4.872 1.00 0.00 C ATOM 698 CG1 ILE A 44 63.008 -2.691 -4.756 1.00 0.00 C ATOM 699 CG2 ILE A 44 63.279 -4.930 -5.827 1.00 0.00 C ATOM 700 CD1 ILE A 44 63.662 -1.637 -3.858 1.00 0.00 C ATOM 0 H ILE A 44 66.041 -3.812 -3.210 1.00 0.00 H new ATOM 0 HA ILE A 44 63.166 -4.500 -2.938 1.00 0.00 H new ATOM 0 HB ILE A 44 64.895 -3.619 -5.255 1.00 0.00 H new ATOM 0 HG12 ILE A 44 62.821 -2.272 -5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 44 62.041 -2.982 -4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 44 63.150 -4.471 -6.807 1.00 0.00 H new ATOM 0 HG22 ILE A 44 63.922 -5.805 -5.918 1.00 0.00 H new ATOM 0 HG23 ILE A 44 62.307 -5.233 -5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 44 63.008 -0.768 -3.782 1.00 0.00 H new ATOM 0 HD12 ILE A 44 63.826 -2.056 -2.865 1.00 0.00 H new ATOM 0 HD13 ILE A 44 64.618 -1.336 -4.287 1.00 0.00 H new ATOM 712 N PHE A 45 63.585 -6.927 -3.269 1.00 0.00 N ATOM 713 CA PHE A 45 63.839 -8.360 -3.387 1.00 0.00 C ATOM 714 C PHE A 45 62.607 -9.079 -3.924 1.00 0.00 C ATOM 715 O PHE A 45 61.526 -8.998 -3.344 1.00 0.00 O ATOM 716 CB PHE A 45 64.215 -8.937 -2.020 1.00 0.00 C ATOM 717 CG PHE A 45 64.438 -10.426 -2.145 1.00 0.00 C ATOM 718 CD1 PHE A 45 63.430 -11.318 -1.760 1.00 0.00 C ATOM 719 CD2 PHE A 45 65.651 -10.914 -2.642 1.00 0.00 C ATOM 720 CE1 PHE A 45 63.635 -12.698 -1.874 1.00 0.00 C ATOM 721 CE2 PHE A 45 65.858 -12.294 -2.756 1.00 0.00 C ATOM 722 CZ PHE A 45 64.850 -13.186 -2.371 1.00 0.00 C ATOM 0 H PHE A 45 62.679 -6.688 -2.866 1.00 0.00 H new ATOM 0 HA PHE A 45 64.664 -8.509 -4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 45 65.117 -8.454 -1.645 1.00 0.00 H new ATOM 0 HB3 PHE A 45 63.423 -8.737 -1.299 1.00 0.00 H new ATOM 0 HD1 PHE A 45 62.494 -10.941 -1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 45 66.429 -10.226 -2.938 1.00 0.00 H new ATOM 0 HE1 PHE A 45 62.857 -13.386 -1.579 1.00 0.00 H new ATOM 0 HE2 PHE A 45 66.795 -12.670 -3.141 1.00 0.00 H new ATOM 0 HZ PHE A 45 65.009 -14.251 -2.457 1.00 0.00 H new ATOM 732 N ALA A 46 62.780 -9.780 -5.041 1.00 0.00 N ATOM 733 CA ALA A 46 61.672 -10.508 -5.650 1.00 0.00 C ATOM 734 C ALA A 46 60.682 -9.538 -6.284 1.00 0.00 C ATOM 735 O ALA A 46 59.493 -9.833 -6.398 1.00 0.00 O ATOM 736 CB ALA A 46 60.957 -11.353 -4.594 1.00 0.00 C ATOM 0 H ALA A 46 63.667 -9.859 -5.538 1.00 0.00 H new ATOM 0 HA ALA A 46 62.073 -11.161 -6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.131 -11.893 -5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.659 -12.066 -4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.570 -10.703 -3.809 1.00 0.00 H new ATOM 742 N GLY A 47 61.183 -8.376 -6.695 1.00 0.00 N ATOM 743 CA GLY A 47 60.334 -7.366 -7.316 1.00 0.00 C ATOM 744 C GLY A 47 59.486 -6.651 -6.271 1.00 0.00 C ATOM 745 O GLY A 47 58.808 -5.668 -6.574 1.00 0.00 O ATOM 0 H GLY A 47 62.165 -8.113 -6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 47 60.952 -6.642 -7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 47 59.686 -7.835 -8.057 1.00 0.00 H new ATOM 749 N LYS A 48 59.528 -7.149 -5.039 1.00 0.00 N ATOM 750 CA LYS A 48 58.759 -6.551 -3.956 1.00 0.00 C ATOM 751 C LYS A 48 59.650 -5.650 -3.105 1.00 0.00 C ATOM 752 O LYS A 48 60.817 -5.959 -2.869 1.00 0.00 O ATOM 753 CB LYS A 48 58.149 -7.652 -3.086 1.00 0.00 C ATOM 754 CG LYS A 48 57.862 -7.105 -1.687 1.00 0.00 C ATOM 755 CD LYS A 48 56.840 -8.004 -0.987 1.00 0.00 C ATOM 756 CE LYS A 48 57.410 -9.416 -0.851 1.00 0.00 C ATOM 757 NZ LYS A 48 57.276 -10.135 -2.150 1.00 0.00 N ATOM 0 H LYS A 48 60.083 -7.960 -4.768 1.00 0.00 H new ATOM 0 HA LYS A 48 57.960 -5.946 -4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 48 57.228 -8.019 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 48 58.832 -8.499 -3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 48 58.783 -7.062 -1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 48 57.480 -6.086 -1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 48 56.600 -7.601 -0.003 1.00 0.00 H new ATOM 0 HD3 LYS A 48 55.911 -8.029 -1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 48 58.458 -9.369 -0.556 1.00 0.00 H new ATOM 0 HE3 LYS A 48 56.882 -9.959 -0.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 57.015 -11.126 -1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 56.538 -9.680 -2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 58.181 -10.101 -2.661 1.00 0.00 H new ATOM 771 N GLN A 49 59.087 -4.537 -2.643 1.00 0.00 N ATOM 772 CA GLN A 49 59.837 -3.599 -1.816 1.00 0.00 C ATOM 773 C GLN A 49 59.792 -4.026 -0.352 1.00 0.00 C ATOM 774 O GLN A 49 58.759 -4.483 0.139 1.00 0.00 O ATOM 775 CB GLN A 49 59.249 -2.194 -1.960 1.00 0.00 C ATOM 776 CG GLN A 49 60.166 -1.181 -1.272 1.00 0.00 C ATOM 777 CD GLN A 49 59.357 -0.314 -0.313 1.00 0.00 C ATOM 778 OE1 GLN A 49 58.530 0.489 -0.748 1.00 0.00 O ATOM 779 NE2 GLN A 49 59.543 -0.430 0.973 1.00 0.00 N ATOM 0 H GLN A 49 58.121 -4.265 -2.826 1.00 0.00 H new ATOM 0 HA GLN A 49 60.875 -3.594 -2.150 1.00 0.00 H new ATOM 0 HB2 GLN A 49 59.138 -1.942 -3.015 1.00 0.00 H new ATOM 0 HB3 GLN A 49 58.254 -2.158 -1.517 1.00 0.00 H new ATOM 0 HG2 GLN A 49 60.954 -1.702 -0.728 1.00 0.00 H new ATOM 0 HG3 GLN A 49 60.654 -0.554 -2.018 1.00 0.00 H new ATOM 0 HE21 GLN A 49 60.228 -1.095 1.331 1.00 0.00 H new ATOM 0 HE22 GLN A 49 59.003 0.145 1.620 1.00 0.00 H new ATOM 788 N LEU A 50 60.918 -3.876 0.341 1.00 0.00 N ATOM 789 CA LEU A 50 60.991 -4.252 1.749 1.00 0.00 C ATOM 790 C LEU A 50 60.725 -3.046 2.644 1.00 0.00 C ATOM 791 O LEU A 50 61.368 -2.005 2.510 1.00 0.00 O ATOM 792 CB LEU A 50 62.373 -4.828 2.069 1.00 0.00 C ATOM 793 CG LEU A 50 62.777 -5.833 0.988 1.00 0.00 C ATOM 794 CD1 LEU A 50 64.080 -6.523 1.395 1.00 0.00 C ATOM 795 CD2 LEU A 50 61.674 -6.883 0.828 1.00 0.00 C ATOM 0 H LEU A 50 61.784 -3.500 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 50 60.229 -5.008 1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 50 63.108 -4.025 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 50 62.358 -5.315 3.044 1.00 0.00 H new ATOM 0 HG LEU A 50 62.921 -5.310 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.368 -7.239 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 50 64.866 -5.777 1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 50 63.935 -7.045 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 50 61.962 -7.599 0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 50 61.529 -7.406 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 50 60.744 -6.393 0.538 1.00 0.00 H new ATOM 807 N GLU A 51 59.775 -3.196 3.563 1.00 0.00 N ATOM 808 CA GLU A 51 59.433 -2.116 4.483 1.00 0.00 C ATOM 809 C GLU A 51 60.249 -2.234 5.765 1.00 0.00 C ATOM 810 O GLU A 51 60.664 -3.328 6.150 1.00 0.00 O ATOM 811 CB GLU A 51 57.941 -2.164 4.816 1.00 0.00 C ATOM 812 CG GLU A 51 57.127 -1.848 3.561 1.00 0.00 C ATOM 813 CD GLU A 51 55.944 -2.803 3.451 1.00 0.00 C ATOM 814 OE1 GLU A 51 55.263 -2.989 4.446 1.00 0.00 O ATOM 815 OE2 GLU A 51 55.735 -3.332 2.372 1.00 0.00 O ATOM 0 H GLU A 51 59.231 -4.050 3.690 1.00 0.00 H new ATOM 0 HA GLU A 51 59.664 -1.165 4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 51 57.674 -3.150 5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 51 57.710 -1.446 5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 51 56.771 -0.818 3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 51 57.758 -1.935 2.677 1.00 0.00 H new ATOM 822 N ASP A 52 60.481 -1.102 6.417 1.00 0.00 N ATOM 823 CA ASP A 52 61.254 -1.093 7.650 1.00 0.00 C ATOM 824 C ASP A 52 60.427 -1.648 8.807 1.00 0.00 C ATOM 825 O ASP A 52 59.411 -1.068 9.190 1.00 0.00 O ATOM 826 CB ASP A 52 61.705 0.331 7.974 1.00 0.00 C ATOM 827 CG ASP A 52 61.117 1.309 6.963 1.00 0.00 C ATOM 828 OD1 ASP A 52 60.029 1.805 7.211 1.00 0.00 O ATOM 829 OD2 ASP A 52 61.759 1.544 5.953 1.00 0.00 O ATOM 0 H ASP A 52 60.148 -0.186 6.115 1.00 0.00 H new ATOM 0 HA ASP A 52 62.130 -1.726 7.512 1.00 0.00 H new ATOM 0 HB2 ASP A 52 61.387 0.601 8.981 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.793 0.389 7.957 1.00 0.00 H new ATOM 834 N GLY A 53 60.869 -2.775 9.359 1.00 0.00 N ATOM 835 CA GLY A 53 60.161 -3.401 10.472 1.00 0.00 C ATOM 836 C GLY A 53 60.196 -4.921 10.357 1.00 0.00 C ATOM 837 O GLY A 53 60.264 -5.627 11.363 1.00 0.00 O ATOM 0 H GLY A 53 61.708 -3.270 9.057 1.00 0.00 H new ATOM 0 HA2 GLY A 53 60.614 -3.094 11.415 1.00 0.00 H new ATOM 0 HA3 GLY A 53 59.127 -3.058 10.489 1.00 0.00 H new ATOM 841 N ARG A 54 60.154 -5.418 9.125 1.00 0.00 N ATOM 842 CA ARG A 54 60.189 -6.859 8.891 1.00 0.00 C ATOM 843 C ARG A 54 61.629 -7.345 8.914 1.00 0.00 C ATOM 844 O ARG A 54 62.545 -6.585 8.606 1.00 0.00 O ATOM 845 CB ARG A 54 59.555 -7.202 7.542 1.00 0.00 C ATOM 846 CG ARG A 54 58.670 -6.046 7.064 1.00 0.00 C ATOM 847 CD ARG A 54 57.636 -5.706 8.139 1.00 0.00 C ATOM 848 NE ARG A 54 56.317 -5.562 7.534 1.00 0.00 N ATOM 849 CZ ARG A 54 55.248 -5.275 8.271 1.00 0.00 C ATOM 850 NH1 ARG A 54 54.084 -5.127 7.701 1.00 0.00 N ATOM 851 NH2 ARG A 54 55.364 -5.140 9.564 1.00 0.00 N ATOM 0 H ARG A 54 60.096 -4.851 8.279 1.00 0.00 H new ATOM 0 HA ARG A 54 59.621 -7.353 9.679 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.334 -7.402 6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 54 58.961 -8.111 7.632 1.00 0.00 H new ATOM 0 HG2 ARG A 54 59.284 -5.172 6.847 1.00 0.00 H new ATOM 0 HG3 ARG A 54 58.167 -6.320 6.137 1.00 0.00 H new ATOM 0 HD2 ARG A 54 57.615 -6.490 8.896 1.00 0.00 H new ATOM 0 HD3 ARG A 54 57.916 -4.782 8.645 1.00 0.00 H new ATOM 0 HE ARG A 54 56.212 -5.684 6.527 1.00 0.00 H new ATOM 0 HH11 ARG A 54 53.994 -5.231 6.690 1.00 0.00 H new ATOM 0 HH12 ARG A 54 53.264 -4.907 8.266 1.00 0.00 H new ATOM 0 HH21 ARG A 54 56.275 -5.255 10.009 1.00 0.00 H new ATOM 0 HH22 ARG A 54 54.544 -4.920 10.129 1.00 0.00 H new ATOM 865 N THR A 55 61.830 -8.604 9.291 1.00 0.00 N ATOM 866 CA THR A 55 63.179 -9.153 9.359 1.00 0.00 C ATOM 867 C THR A 55 63.491 -10.051 8.175 1.00 0.00 C ATOM 868 O THR A 55 62.599 -10.439 7.421 1.00 0.00 O ATOM 869 CB THR A 55 63.368 -9.908 10.669 1.00 0.00 C ATOM 870 OG1 THR A 55 62.545 -11.067 10.681 1.00 0.00 O ATOM 871 CG2 THR A 55 62.990 -8.987 11.817 1.00 0.00 C ATOM 0 H THR A 55 61.088 -9.254 9.550 1.00 0.00 H new ATOM 0 HA THR A 55 63.879 -8.318 9.320 1.00 0.00 H new ATOM 0 HB THR A 55 64.407 -10.221 10.774 1.00 0.00 H new ATOM 0 HG1 THR A 55 62.671 -11.549 11.525 1.00 0.00 H new ATOM 0 HG21 THR A 55 63.120 -9.513 12.763 1.00 0.00 H new ATOM 0 HG22 THR A 55 63.630 -8.105 11.801 1.00 0.00 H new ATOM 0 HG23 THR A 55 61.949 -8.682 11.711 1.00 0.00 H new ATOM 879 N LEU A 56 64.774 -10.370 8.016 1.00 0.00 N ATOM 880 CA LEU A 56 65.197 -11.213 6.912 1.00 0.00 C ATOM 881 C LEU A 56 64.434 -12.532 6.961 1.00 0.00 C ATOM 882 O LEU A 56 64.111 -13.115 5.926 1.00 0.00 O ATOM 883 CB LEU A 56 66.703 -11.512 6.997 1.00 0.00 C ATOM 884 CG LEU A 56 67.542 -10.262 6.685 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.023 -10.615 6.811 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.273 -9.789 5.256 1.00 0.00 C ATOM 0 H LEU A 56 65.526 -10.060 8.631 1.00 0.00 H new ATOM 0 HA LEU A 56 64.991 -10.686 5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 56 66.947 -11.876 7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 56 66.958 -12.307 6.296 1.00 0.00 H new ATOM 0 HG LEU A 56 67.275 -9.470 7.385 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.627 -9.735 6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.231 -10.954 7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.269 -11.409 6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.873 -8.903 5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 56 67.538 -10.580 4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.216 -9.546 5.146 1.00 0.00 H new ATOM 898 N SER A 57 64.153 -12.995 8.178 1.00 0.00 N ATOM 899 CA SER A 57 63.429 -14.248 8.358 1.00 0.00 C ATOM 900 C SER A 57 61.967 -14.096 7.945 1.00 0.00 C ATOM 901 O SER A 57 61.380 -15.009 7.363 1.00 0.00 O ATOM 902 CB SER A 57 63.502 -14.684 9.821 1.00 0.00 C ATOM 903 OG SER A 57 62.257 -15.254 10.204 1.00 0.00 O ATOM 0 H SER A 57 64.413 -12.525 9.045 1.00 0.00 H new ATOM 0 HA SER A 57 63.893 -15.004 7.725 1.00 0.00 H new ATOM 0 HB2 SER A 57 64.304 -15.409 9.957 1.00 0.00 H new ATOM 0 HB3 SER A 57 63.734 -13.829 10.456 1.00 0.00 H new ATOM 0 HG SER A 57 62.301 -15.536 11.141 1.00 0.00 H new ATOM 909 N ASP A 58 61.383 -12.943 8.251 1.00 0.00 N ATOM 910 CA ASP A 58 59.987 -12.688 7.910 1.00 0.00 C ATOM 911 C ASP A 58 59.792 -12.680 6.398 1.00 0.00 C ATOM 912 O ASP A 58 58.771 -13.151 5.895 1.00 0.00 O ATOM 913 CB ASP A 58 59.544 -11.346 8.490 1.00 0.00 C ATOM 914 CG ASP A 58 59.753 -11.338 10.001 1.00 0.00 C ATOM 915 OD1 ASP A 58 59.656 -10.274 10.591 1.00 0.00 O ATOM 916 OD2 ASP A 58 60.005 -12.400 10.548 1.00 0.00 O ATOM 0 H ASP A 58 61.850 -12.174 8.731 1.00 0.00 H new ATOM 0 HA ASP A 58 59.380 -13.487 8.336 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.112 -10.537 8.031 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.494 -11.169 8.259 1.00 0.00 H new ATOM 921 N TYR A 59 60.772 -12.147 5.678 1.00 0.00 N ATOM 922 CA TYR A 59 60.689 -12.091 4.223 1.00 0.00 C ATOM 923 C TYR A 59 61.181 -13.401 3.623 1.00 0.00 C ATOM 924 O TYR A 59 61.185 -13.578 2.405 1.00 0.00 O ATOM 925 CB TYR A 59 61.529 -10.929 3.688 1.00 0.00 C ATOM 926 CG TYR A 59 60.647 -9.716 3.488 1.00 0.00 C ATOM 927 CD1 TYR A 59 59.623 -9.747 2.535 1.00 0.00 C ATOM 928 CD2 TYR A 59 60.853 -8.565 4.256 1.00 0.00 C ATOM 929 CE1 TYR A 59 58.805 -8.627 2.350 1.00 0.00 C ATOM 930 CE2 TYR A 59 60.035 -7.444 4.070 1.00 0.00 C ATOM 931 CZ TYR A 59 59.010 -7.475 3.118 1.00 0.00 C ATOM 932 OH TYR A 59 58.203 -6.372 2.935 1.00 0.00 O ATOM 0 H TYR A 59 61.625 -11.751 6.072 1.00 0.00 H new ATOM 0 HA TYR A 59 59.648 -11.935 3.939 1.00 0.00 H new ATOM 0 HB2 TYR A 59 62.333 -10.696 4.387 1.00 0.00 H new ATOM 0 HB3 TYR A 59 61.998 -11.210 2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 59 59.464 -10.636 1.942 1.00 0.00 H new ATOM 0 HD2 TYR A 59 61.643 -8.541 4.992 1.00 0.00 H new ATOM 0 HE1 TYR A 59 58.015 -8.651 1.614 1.00 0.00 H new ATOM 0 HE2 TYR A 59 60.195 -6.555 4.662 1.00 0.00 H new ATOM 0 HH TYR A 59 58.125 -5.880 3.779 1.00 0.00 H new ATOM 942 N ASN A 60 61.591 -14.317 4.492 1.00 0.00 N ATOM 943 CA ASN A 60 62.082 -15.615 4.050 1.00 0.00 C ATOM 944 C ASN A 60 63.356 -15.457 3.227 1.00 0.00 C ATOM 945 O ASN A 60 63.660 -16.289 2.373 1.00 0.00 O ATOM 946 CB ASN A 60 61.012 -16.317 3.213 1.00 0.00 C ATOM 947 CG ASN A 60 59.626 -15.957 3.735 1.00 0.00 C ATOM 948 OD1 ASN A 60 59.213 -16.438 4.790 1.00 0.00 O ATOM 949 ND2 ASN A 60 58.879 -15.128 3.057 1.00 0.00 N ATOM 0 H ASN A 60 61.593 -14.185 5.503 1.00 0.00 H new ATOM 0 HA ASN A 60 62.308 -16.217 4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 60 61.104 -16.022 2.168 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.156 -17.397 3.254 1.00 0.00 H new ATOM 0 HD21 ASN A 60 57.952 -14.878 3.402 1.00 0.00 H new ATOM 0 HD22 ASN A 60 59.223 -14.730 2.183 1.00 0.00 H new ATOM 956 N ILE A 61 64.102 -14.389 3.490 1.00 0.00 N ATOM 957 CA ILE A 61 65.343 -14.145 2.765 1.00 0.00 C ATOM 958 C ILE A 61 66.395 -15.175 3.159 1.00 0.00 C ATOM 959 O ILE A 61 66.443 -15.619 4.307 1.00 0.00 O ATOM 960 CB ILE A 61 65.848 -12.726 3.047 1.00 0.00 C ATOM 961 CG1 ILE A 61 65.101 -11.757 2.121 1.00 0.00 C ATOM 962 CG2 ILE A 61 67.352 -12.648 2.764 1.00 0.00 C ATOM 963 CD1 ILE A 61 65.211 -10.325 2.647 1.00 0.00 C ATOM 0 H ILE A 61 63.872 -13.686 4.192 1.00 0.00 H new ATOM 0 HA ILE A 61 65.151 -14.239 1.696 1.00 0.00 H new ATOM 0 HB ILE A 61 65.671 -12.465 4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.515 -11.814 1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.052 -12.046 2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 61 67.708 -11.638 2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 61 67.880 -13.354 3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.539 -12.897 1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.676 -9.650 1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.775 -10.269 3.645 1.00 0.00 H new ATOM 0 HD13 ILE A 61 66.260 -10.034 2.693 1.00 0.00 H new ATOM 975 N GLN A 62 67.224 -15.564 2.198 1.00 0.00 N ATOM 976 CA GLN A 62 68.259 -16.558 2.454 1.00 0.00 C ATOM 977 C GLN A 62 69.557 -15.891 2.894 1.00 0.00 C ATOM 978 O GLN A 62 69.743 -14.688 2.716 1.00 0.00 O ATOM 979 CB GLN A 62 68.515 -17.381 1.190 1.00 0.00 C ATOM 980 CG GLN A 62 67.178 -17.805 0.578 1.00 0.00 C ATOM 981 CD GLN A 62 67.386 -18.998 -0.349 1.00 0.00 C ATOM 982 OE1 GLN A 62 67.500 -18.830 -1.564 1.00 0.00 O ATOM 983 NE2 GLN A 62 67.443 -20.201 0.153 1.00 0.00 N ATOM 0 H GLN A 62 67.201 -15.210 1.242 1.00 0.00 H new ATOM 0 HA GLN A 62 67.912 -17.211 3.255 1.00 0.00 H new ATOM 0 HB2 GLN A 62 69.087 -16.794 0.471 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.112 -18.260 1.431 1.00 0.00 H new ATOM 0 HG2 GLN A 62 66.473 -18.066 1.368 1.00 0.00 H new ATOM 0 HG3 GLN A 62 66.742 -16.974 0.023 1.00 0.00 H new ATOM 0 HE21 GLN A 62 67.348 -20.339 1.159 1.00 0.00 H new ATOM 0 HE22 GLN A 62 67.582 -21.004 -0.461 1.00 0.00 H new ATOM 992 N LYS A 63 70.446 -16.687 3.476 1.00 0.00 N ATOM 993 CA LYS A 63 71.725 -16.175 3.949 1.00 0.00 C ATOM 994 C LYS A 63 72.700 -16.004 2.799 1.00 0.00 C ATOM 995 O LYS A 63 73.800 -15.504 2.985 1.00 0.00 O ATOM 996 CB LYS A 63 72.324 -17.131 4.977 1.00 0.00 C ATOM 997 CG LYS A 63 72.545 -18.504 4.334 1.00 0.00 C ATOM 998 CD LYS A 63 72.250 -19.603 5.357 1.00 0.00 C ATOM 999 CE LYS A 63 70.740 -19.840 5.433 1.00 0.00 C ATOM 1000 NZ LYS A 63 70.372 -20.984 4.552 1.00 0.00 N ATOM 0 H LYS A 63 70.305 -17.685 3.631 1.00 0.00 H new ATOM 0 HA LYS A 63 71.549 -15.203 4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 63 73.269 -16.736 5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 63 71.658 -17.223 5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 63 71.897 -18.618 3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 63 73.572 -18.590 3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 63 72.759 -20.524 5.074 1.00 0.00 H new ATOM 0 HD3 LYS A 63 72.633 -19.315 6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 63 70.445 -20.049 6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 63 70.204 -18.942 5.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 69.346 -21.146 4.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 70.640 -20.767 3.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 70.873 -21.839 4.866 1.00 0.00 H new ATOM 1014 N GLU A 64 72.277 -16.420 1.615 1.00 0.00 N ATOM 1015 CA GLU A 64 73.094 -16.311 0.421 1.00 0.00 C ATOM 1016 C GLU A 64 72.330 -15.577 -0.679 1.00 0.00 C ATOM 1017 O GLU A 64 72.874 -15.294 -1.745 1.00 0.00 O ATOM 1018 CB GLU A 64 73.501 -17.701 -0.066 1.00 0.00 C ATOM 1019 CG GLU A 64 74.916 -18.016 0.418 1.00 0.00 C ATOM 1020 CD GLU A 64 75.294 -19.447 0.048 1.00 0.00 C ATOM 1021 OE1 GLU A 64 76.072 -20.039 0.776 1.00 0.00 O ATOM 1022 OE2 GLU A 64 74.800 -19.928 -0.959 1.00 0.00 O ATOM 0 H GLU A 64 71.361 -16.841 1.457 1.00 0.00 H new ATOM 0 HA GLU A 64 73.992 -15.743 0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.802 -18.449 0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.460 -17.743 -1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 64 75.624 -17.318 -0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 64 74.976 -17.884 1.498 1.00 0.00 H new ATOM 1029 N SER A 65 71.057 -15.301 -0.416 1.00 0.00 N ATOM 1030 CA SER A 65 70.202 -14.624 -1.392 1.00 0.00 C ATOM 1031 C SER A 65 70.846 -13.344 -1.914 1.00 0.00 C ATOM 1032 O SER A 65 71.784 -12.814 -1.320 1.00 0.00 O ATOM 1033 CB SER A 65 68.856 -14.292 -0.753 1.00 0.00 C ATOM 1034 OG SER A 65 67.893 -15.257 -1.156 1.00 0.00 O ATOM 0 H SER A 65 70.593 -15.534 0.462 1.00 0.00 H new ATOM 0 HA SER A 65 70.060 -15.299 -2.236 1.00 0.00 H new ATOM 0 HB2 SER A 65 68.948 -14.285 0.333 1.00 0.00 H new ATOM 0 HB3 SER A 65 68.535 -13.294 -1.052 1.00 0.00 H new ATOM 0 HG SER A 65 67.000 -14.963 -0.880 1.00 0.00 H new ATOM 1040 N THR A 66 70.319 -12.854 -3.036 1.00 0.00 N ATOM 1041 CA THR A 66 70.824 -11.631 -3.652 1.00 0.00 C ATOM 1042 C THR A 66 69.788 -10.516 -3.523 1.00 0.00 C ATOM 1043 O THR A 66 68.596 -10.744 -3.728 1.00 0.00 O ATOM 1044 CB THR A 66 71.127 -11.881 -5.131 1.00 0.00 C ATOM 1045 OG1 THR A 66 72.034 -12.968 -5.249 1.00 0.00 O ATOM 1046 CG2 THR A 66 71.746 -10.626 -5.750 1.00 0.00 C ATOM 0 H THR A 66 69.542 -13.287 -3.536 1.00 0.00 H new ATOM 0 HA THR A 66 71.739 -11.330 -3.142 1.00 0.00 H new ATOM 0 HB THR A 66 70.202 -12.120 -5.655 1.00 0.00 H new ATOM 0 HG1 THR A 66 72.228 -13.131 -6.196 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.960 -10.808 -6.803 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.048 -9.794 -5.660 1.00 0.00 H new ATOM 0 HG23 THR A 66 72.671 -10.381 -5.228 1.00 0.00 H new ATOM 1054 N LEU A 67 70.249 -9.315 -3.174 1.00 0.00 N ATOM 1055 CA LEU A 67 69.347 -8.176 -3.012 1.00 0.00 C ATOM 1056 C LEU A 67 69.674 -7.071 -4.011 1.00 0.00 C ATOM 1057 O LEU A 67 70.776 -7.018 -4.555 1.00 0.00 O ATOM 1058 CB LEU A 67 69.463 -7.621 -1.590 1.00 0.00 C ATOM 1059 CG LEU A 67 68.989 -8.674 -0.588 1.00 0.00 C ATOM 1060 CD1 LEU A 67 70.129 -9.018 0.373 1.00 0.00 C ATOM 1061 CD2 LEU A 67 67.805 -8.121 0.209 1.00 0.00 C ATOM 0 H LEU A 67 71.232 -9.107 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 67 68.329 -8.521 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.496 -7.344 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 67 68.864 -6.716 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 67 68.683 -9.572 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 67 69.789 -9.769 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 67 70.975 -9.410 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 67 70.436 -8.120 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 67 67.466 -8.871 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 67 68.114 -7.223 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 67 66.991 -7.875 -0.473 1.00 0.00 H new ATOM 1073 N HIS A 68 68.703 -6.189 -4.240 1.00 0.00 N ATOM 1074 CA HIS A 68 68.882 -5.076 -5.167 1.00 0.00 C ATOM 1075 C HIS A 68 68.765 -3.746 -4.427 1.00 0.00 C ATOM 1076 O HIS A 68 67.789 -3.504 -3.717 1.00 0.00 O ATOM 1077 CB HIS A 68 67.826 -5.143 -6.273 1.00 0.00 C ATOM 1078 CG HIS A 68 68.089 -6.340 -7.142 1.00 0.00 C ATOM 1079 ND1 HIS A 68 67.671 -7.614 -6.791 1.00 0.00 N ATOM 1080 CD2 HIS A 68 68.729 -6.475 -8.350 1.00 0.00 C ATOM 1081 CE1 HIS A 68 68.060 -8.453 -7.769 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.710 -7.810 -8.743 1.00 0.00 N ATOM 0 H HIS A 68 67.785 -6.224 -3.796 1.00 0.00 H new ATOM 0 HA HIS A 68 69.875 -5.148 -5.611 1.00 0.00 H new ATOM 0 HB2 HIS A 68 66.830 -5.209 -5.836 1.00 0.00 H new ATOM 0 HB3 HIS A 68 67.852 -4.232 -6.872 1.00 0.00 H new ATOM 0 HD2 HIS A 68 69.178 -5.668 -8.910 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.870 -9.516 -7.767 1.00 0.00 H new ATOM 0 HE2 HIS A 68 69.107 -8.211 -9.592 1.00 0.00 H new ATOM 1090 N LEU A 69 69.771 -2.892 -4.592 1.00 0.00 N ATOM 1091 CA LEU A 69 69.775 -1.590 -3.930 1.00 0.00 C ATOM 1092 C LEU A 69 69.397 -0.485 -4.909 1.00 0.00 C ATOM 1093 O LEU A 69 70.058 -0.298 -5.930 1.00 0.00 O ATOM 1094 CB LEU A 69 71.168 -1.316 -3.348 1.00 0.00 C ATOM 1095 CG LEU A 69 71.123 -0.128 -2.373 1.00 0.00 C ATOM 1096 CD1 LEU A 69 72.447 -0.049 -1.613 1.00 0.00 C ATOM 1097 CD2 LEU A 69 70.906 1.190 -3.130 1.00 0.00 C ATOM 0 H LEU A 69 70.589 -3.075 -5.174 1.00 0.00 H new ATOM 0 HA LEU A 69 69.038 -1.604 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 69 71.533 -2.204 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 69 71.870 -1.105 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 69 70.295 -0.279 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 69 72.419 0.792 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 69 72.602 -0.973 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 69 73.265 0.090 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 69 70.877 2.017 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 69 71.724 1.344 -3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 69 69.962 1.146 -3.674 1.00 0.00 H new ATOM 1109 N VAL A 70 68.334 0.246 -4.584 1.00 0.00 N ATOM 1110 CA VAL A 70 67.874 1.341 -5.433 1.00 0.00 C ATOM 1111 C VAL A 70 67.765 2.631 -4.628 1.00 0.00 C ATOM 1112 O VAL A 70 67.429 2.608 -3.443 1.00 0.00 O ATOM 1113 CB VAL A 70 66.516 1.002 -6.043 1.00 0.00 C ATOM 1114 CG1 VAL A 70 66.261 1.900 -7.254 1.00 0.00 C ATOM 1115 CG2 VAL A 70 66.508 -0.463 -6.481 1.00 0.00 C ATOM 0 H VAL A 70 67.777 0.101 -3.742 1.00 0.00 H new ATOM 0 HA VAL A 70 68.601 1.483 -6.232 1.00 0.00 H new ATOM 0 HB VAL A 70 65.733 1.164 -5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 70 65.291 1.658 -7.689 1.00 0.00 H new ATOM 0 HG12 VAL A 70 66.267 2.944 -6.941 1.00 0.00 H new ATOM 0 HG13 VAL A 70 67.042 1.740 -7.997 1.00 0.00 H new ATOM 0 HG21 VAL A 70 65.539 -0.707 -6.917 1.00 0.00 H new ATOM 0 HG22 VAL A 70 67.291 -0.625 -7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.688 -1.102 -5.617 1.00 0.00 H new ATOM 1125 N LEU A 71 68.056 3.753 -5.275 1.00 0.00 N ATOM 1126 CA LEU A 71 67.990 5.048 -4.609 1.00 0.00 C ATOM 1127 C LEU A 71 66.701 5.776 -4.974 1.00 0.00 C ATOM 1128 O LEU A 71 66.227 5.690 -6.106 1.00 0.00 O ATOM 1129 CB LEU A 71 69.194 5.905 -5.009 1.00 0.00 C ATOM 1130 CG LEU A 71 70.483 5.107 -4.796 1.00 0.00 C ATOM 1131 CD1 LEU A 71 71.685 5.964 -5.198 1.00 0.00 C ATOM 1132 CD2 LEU A 71 70.607 4.720 -3.321 1.00 0.00 C ATOM 0 H LEU A 71 68.338 3.793 -6.254 1.00 0.00 H new ATOM 0 HA LEU A 71 68.005 4.881 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 71 69.109 6.206 -6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.217 6.818 -4.415 1.00 0.00 H new ATOM 0 HG LEU A 71 70.456 4.205 -5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 71 72.603 5.397 -5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 71 71.599 6.242 -6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 71 71.710 6.865 -4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 71 71.525 4.152 -3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 71 70.633 5.622 -2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.751 4.110 -3.032 1.00 0.00 H new