USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 109:sc= 1.25 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.62 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.612 X(o=1.2,f=1.2) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.0509 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0069 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -160:sc= 0.548 (180deg=-0.498) USER MOD Set 4.2: A 12 THR OG1 : rot -20:sc= 0.574 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00903) USER MOD Single : A 1 MET N :NH3+ 177:sc= 2.38 (180deg=2.16) USER MOD Single : A 2 GLN : amide:sc= -1.02 K(o=-1,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -158:sc= 1.29 (180deg=0.678) USER MOD Single : A 14 THR OG1 : rot -78:sc= 1.26 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 2.17 (180deg=0.0824!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0.985 (180deg=0.985) USER MOD Single : A 31 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.67) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 1.17 (180deg=1.14) USER MOD Single : A 40 GLN : amide:sc= -0.0137 X(o=-0.014,f=-0.0035) USER MOD Single : A 41 GLN : amide:sc= 1.4 K(o=1.4,f=-4.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.282 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.221 X(o=0.22,f=-0.0036) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= -0.0104 (180deg=-0.308) USER MOD Single : A 65 SER OG : rot 84:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.277 K(o=0.28,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.167 -7.327 -4.935 1.00 9.67 N ATOM 2 CA MET A 1 11.187 -7.397 -3.477 1.00 10.38 C ATOM 3 C MET A 1 9.712 -7.525 -2.929 1.00 9.62 C ATOM 4 O MET A 1 8.775 -7.015 -3.536 1.00 9.62 O ATOM 5 CB MET A 1 11.934 -6.219 -2.813 1.00 13.77 C ATOM 6 CG MET A 1 11.156 -4.874 -2.764 1.00 16.29 C ATOM 7 SD MET A 1 12.219 -3.538 -2.106 1.00 17.17 S ATOM 8 CE MET A 1 10.831 -2.383 -2.009 1.00 16.11 C ATOM 0 H1 MET A 1 12.135 -7.192 -5.289 1.00 9.67 H new ATOM 0 H2 MET A 1 10.778 -8.211 -5.320 1.00 9.67 H new ATOM 0 H3 MET A 1 10.573 -6.528 -5.236 1.00 9.67 H new ATOM 0 HA MET A 1 11.754 -8.288 -3.206 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.194 -6.505 -1.794 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.870 -6.058 -3.348 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.810 -4.611 -3.764 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.270 -4.983 -2.138 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.187 -1.415 -1.656 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.385 -2.267 -2.997 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.084 -2.770 -1.316 1.00 16.11 H new ATOM 20 N GLN A 2 9.583 -8.237 -1.807 1.00 9.27 N ATOM 21 CA GLN A 2 8.261 -8.546 -1.218 1.00 9.07 C ATOM 22 C GLN A 2 7.857 -7.401 -0.301 1.00 8.72 C ATOM 23 O GLN A 2 8.700 -6.708 0.249 1.00 8.22 O ATOM 24 CB GLN A 2 8.323 -9.892 -0.448 1.00 14.46 C ATOM 25 CG GLN A 2 8.982 -11.029 -1.345 1.00 17.01 C ATOM 26 CD GLN A 2 9.104 -12.345 -0.592 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.826 -13.465 -1.056 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.499 -12.344 0.668 1.00 19.49 N ATOM 0 H GLN A 2 10.372 -8.614 -1.282 1.00 9.27 H new ATOM 0 HA GLN A 2 7.513 -8.651 -2.003 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.900 -9.765 0.468 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.318 -10.193 -0.152 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.381 -11.178 -2.242 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.970 -10.706 -1.674 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.746 -11.466 1.124 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.557 -13.221 1.185 1.00 19.49 H new ATOM 37 N ILE A 3 6.531 -7.055 -0.223 1.00 5.87 N ATOM 38 CA ILE A 3 5.991 -6.259 0.831 1.00 5.07 C ATOM 39 C ILE A 3 4.742 -6.983 1.249 1.00 4.01 C ATOM 40 O ILE A 3 4.148 -7.605 0.397 1.00 4.61 O ATOM 41 CB ILE A 3 5.711 -4.803 0.446 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.655 -4.689 -0.810 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.129 -4.274 0.275 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.223 -3.240 -1.061 1.00 10.83 C ATOM 0 H ILE A 3 5.838 -7.343 -0.914 1.00 5.87 H new ATOM 0 HA ILE A 3 6.714 -6.158 1.641 1.00 5.07 H new ATOM 0 HB ILE A 3 5.168 -4.189 1.164 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.117 -5.092 -1.711 1.00 4.72 H new ATOM 0 HG13 ILE A 3 3.776 -5.300 -0.603 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.093 -3.222 -0.007 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.673 -4.380 1.214 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.637 -4.841 -0.505 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.526 -3.208 -1.898 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.737 -2.846 -0.169 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.099 -2.635 -1.295 1.00 10.83 H new ATOM 56 N PHE A 4 4.381 -6.892 2.566 1.00 4.55 N ATOM 57 CA PHE A 4 3.121 -7.390 3.097 1.00 4.68 C ATOM 58 C PHE A 4 2.122 -6.295 3.280 1.00 5.30 C ATOM 59 O PHE A 4 2.519 -5.180 3.703 1.00 5.58 O ATOM 60 CB PHE A 4 3.400 -8.169 4.329 1.00 4.83 C ATOM 61 CG PHE A 4 4.362 -9.286 3.957 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.069 -10.397 3.171 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.715 -9.084 4.342 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.031 -11.375 2.838 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.704 -10.046 4.028 1.00 10.61 C ATOM 66 CZ PHE A 4 6.352 -11.187 3.242 1.00 8.90 C ATOM 0 H PHE A 4 4.977 -6.464 3.274 1.00 4.55 H new ATOM 0 HA PHE A 4 2.651 -8.062 2.379 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.835 -7.529 5.097 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.478 -8.579 4.740 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.062 -10.516 2.800 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.991 -8.188 4.879 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.748 -12.255 2.279 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.717 -9.919 4.380 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.110 -11.904 2.961 1.00 8.90 H new ATOM 76 N VAL A 5 0.847 -6.537 3.028 1.00 4.44 N ATOM 77 CA VAL A 5 -0.177 -5.607 3.315 1.00 3.87 C ATOM 78 C VAL A 5 -1.237 -6.275 4.223 1.00 4.93 C ATOM 79 O VAL A 5 -1.959 -7.181 3.798 1.00 6.84 O ATOM 80 CB VAL A 5 -0.780 -4.959 2.142 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.466 -3.677 2.518 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.278 -4.677 1.074 1.00 9.13 C ATOM 0 H VAL A 5 0.512 -7.406 2.611 1.00 4.44 H new ATOM 0 HA VAL A 5 0.296 -4.779 3.844 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.523 -5.647 1.738 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.901 -3.223 1.628 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.254 -3.885 3.242 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.741 -2.992 2.957 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.191 -4.197 0.215 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.043 -4.018 1.485 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.737 -5.614 0.760 1.00 9.13 H new ATOM 92 N LYS A 6 -1.318 -5.853 5.484 1.00 6.04 N ATOM 93 CA LYS A 6 -2.428 -6.271 6.428 1.00 6.12 C ATOM 94 C LYS A 6 -3.756 -5.541 6.184 1.00 6.57 C ATOM 95 O LYS A 6 -3.873 -4.347 6.511 1.00 5.76 O ATOM 96 CB LYS A 6 -2.054 -6.065 7.869 1.00 7.45 C ATOM 97 CG LYS A 6 -1.007 -7.165 8.194 1.00 11.12 C ATOM 98 CD LYS A 6 -0.640 -7.107 9.660 1.00 14.54 C ATOM 99 CE LYS A 6 0.097 -8.352 10.095 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.754 -9.549 10.021 1.00 20.55 N ATOM 0 H LYS A 6 -0.639 -5.219 5.905 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.566 -7.331 6.217 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.638 -5.070 8.027 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.927 -6.152 8.516 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.411 -8.148 7.950 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.117 -7.025 7.581 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.019 -6.231 9.846 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.544 -6.990 10.258 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.976 -8.492 9.465 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.454 -8.224 11.117 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.355 -10.296 10.624 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.713 -9.314 10.349 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.797 -9.884 9.037 1.00 20.55 H new ATOM 114 N THR A 7 -4.760 -6.349 5.766 1.00 7.41 N ATOM 115 CA THR A 7 -6.131 -5.922 5.521 1.00 7.48 C ATOM 116 C THR A 7 -7.109 -5.885 6.657 1.00 8.75 C ATOM 117 O THR A 7 -6.909 -6.467 7.770 1.00 8.58 O ATOM 118 CB THR A 7 -6.813 -6.712 4.322 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.113 -8.047 4.635 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.875 -6.698 3.112 1.00 9.17 C ATOM 0 H THR A 7 -4.619 -7.344 5.589 1.00 7.41 H new ATOM 0 HA THR A 7 -5.939 -4.875 5.286 1.00 7.48 H new ATOM 0 HB THR A 7 -7.755 -6.206 4.109 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.531 -8.479 3.861 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.338 -7.239 2.286 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.686 -5.668 2.810 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.933 -7.178 3.377 1.00 9.17 H new ATOM 128 N LEU A 8 -8.231 -5.128 6.493 1.00 9.84 N ATOM 129 CA LEU A 8 -9.167 -4.938 7.539 1.00 14.15 C ATOM 130 C LEU A 8 -10.013 -6.163 7.810 1.00 17.37 C ATOM 131 O LEU A 8 -10.604 -6.238 8.943 1.00 17.01 O ATOM 132 CB LEU A 8 -10.219 -3.785 7.181 1.00 16.63 C ATOM 133 CG LEU A 8 -9.601 -2.358 7.079 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.721 -1.442 6.527 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.160 -1.731 8.394 1.00 18.59 C ATOM 0 H LEU A 8 -8.473 -4.653 5.623 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.553 -4.691 8.405 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.698 -4.029 6.233 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.001 -3.775 7.940 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.707 -2.452 6.462 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.345 -0.423 6.433 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.037 -1.803 5.549 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.570 -1.454 7.210 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.746 -0.741 8.204 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.018 -1.644 9.061 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.400 -2.359 8.860 1.00 18.59 H new ATOM 147 N THR A 9 -10.095 -7.147 6.895 1.00 18.33 N ATOM 148 CA THR A 9 -10.837 -8.355 7.165 1.00 19.24 C ATOM 149 C THR A 9 -9.899 -9.444 7.733 1.00 19.48 C ATOM 150 O THR A 9 -10.274 -10.624 7.816 1.00 23.14 O ATOM 151 CB THR A 9 -11.510 -8.853 5.894 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.560 -8.937 4.835 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.510 -7.901 5.401 1.00 19.70 C ATOM 0 H THR A 9 -9.655 -7.114 5.975 1.00 18.33 H new ATOM 0 HA THR A 9 -11.605 -8.135 7.906 1.00 19.24 H new ATOM 0 HB THR A 9 -11.957 -9.814 6.150 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.003 -9.260 4.023 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.968 -8.292 4.493 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.278 -7.754 6.160 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.028 -6.948 5.183 1.00 19.70 H new ATOM 161 N GLY A 10 -8.594 -9.131 8.096 1.00 19.43 N ATOM 162 CA GLY A 10 -7.623 -9.928 8.809 1.00 18.74 C ATOM 163 C GLY A 10 -6.789 -10.800 7.910 1.00 17.62 C ATOM 164 O GLY A 10 -6.308 -11.803 8.346 1.00 19.74 O ATOM 0 H GLY A 10 -8.204 -8.220 7.853 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.965 -9.267 9.373 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.141 -10.556 9.533 1.00 18.74 H new ATOM 168 N LYS A 11 -6.628 -10.500 6.616 1.00 13.56 N ATOM 169 CA LYS A 11 -5.739 -11.225 5.732 1.00 11.91 C ATOM 170 C LYS A 11 -4.475 -10.417 5.686 1.00 10.18 C ATOM 171 O LYS A 11 -4.431 -9.232 6.074 1.00 9.10 O ATOM 172 CB LYS A 11 -6.389 -11.371 4.333 1.00 13.43 C ATOM 173 CG LYS A 11 -5.743 -12.327 3.360 1.00 16.69 C ATOM 174 CD LYS A 11 -6.552 -12.360 2.001 1.00 17.92 C ATOM 175 CE LYS A 11 -5.928 -13.283 0.973 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.770 -13.195 -0.259 1.00 21.93 N ATOM 0 H LYS A 11 -7.123 -9.735 6.158 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.534 -12.238 6.078 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.424 -11.683 4.474 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.414 -10.385 3.869 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.714 -12.023 3.171 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.706 -13.327 3.793 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.575 -12.681 2.199 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.608 -11.351 1.591 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -4.901 -12.986 0.761 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.893 -14.307 1.344 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.627 -14.046 -0.839 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.772 -13.124 0.010 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.498 -12.353 -0.806 1.00 21.93 H new ATOM 190 N THR A 12 -3.378 -11.024 5.284 1.00 9.63 N ATOM 191 CA THR A 12 -2.074 -10.415 5.112 1.00 9.85 C ATOM 192 C THR A 12 -1.648 -10.737 3.681 1.00 11.66 C ATOM 193 O THR A 12 -1.199 -11.840 3.385 1.00 12.33 O ATOM 194 CB THR A 12 -1.018 -10.846 6.046 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.332 -10.865 7.429 1.00 10.91 O ATOM 196 CG2 THR A 12 0.136 -9.803 5.930 1.00 9.63 C ATOM 0 H THR A 12 -3.372 -12.018 5.054 1.00 9.63 H new ATOM 0 HA THR A 12 -2.184 -9.352 5.325 1.00 9.85 H new ATOM 0 HB THR A 12 -0.803 -11.875 5.756 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.107 -10.289 7.596 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.946 -10.079 6.606 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.508 -9.785 4.906 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.238 -8.815 6.198 1.00 9.63 H new ATOM 204 N ILE A 13 -1.746 -9.827 2.732 1.00 10.42 N ATOM 205 CA ILE A 13 -1.462 -10.140 1.314 1.00 11.84 C ATOM 206 C ILE A 13 -0.018 -9.766 1.027 1.00 10.55 C ATOM 207 O ILE A 13 0.584 -8.906 1.670 1.00 11.92 O ATOM 208 CB ILE A 13 -2.418 -9.472 0.294 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.454 -7.946 0.236 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.811 -10.051 0.745 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.524 -7.301 -0.694 1.00 16.46 C ATOM 0 H ILE A 13 -2.019 -8.859 2.901 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.632 -11.208 1.181 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.092 -9.696 -0.722 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.614 -7.572 1.247 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.472 -7.595 -0.082 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.595 -9.656 0.099 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.794 -11.138 0.672 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.009 -9.760 1.776 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.443 -6.215 -0.644 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.360 -7.630 -1.720 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.519 -7.606 -0.370 1.00 16.46 H new ATOM 223 N THR A 14 0.492 -10.432 0.075 1.00 9.39 N ATOM 224 CA THR A 14 1.911 -10.264 -0.328 1.00 9.63 C ATOM 225 C THR A 14 1.966 -9.735 -1.698 1.00 11.20 C ATOM 226 O THR A 14 1.213 -10.210 -2.531 1.00 11.63 O ATOM 227 CB THR A 14 2.760 -11.605 -0.214 1.00 10.38 C ATOM 228 OG1 THR A 14 2.620 -12.230 1.058 1.00 16.30 O ATOM 229 CG2 THR A 14 4.233 -11.398 -0.522 1.00 11.66 C ATOM 0 H THR A 14 -0.022 -11.120 -0.476 1.00 9.39 H new ATOM 0 HA THR A 14 2.366 -9.560 0.368 1.00 9.63 H new ATOM 0 HB THR A 14 2.345 -12.268 -0.973 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.180 -11.765 1.714 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.761 -12.347 -0.428 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.343 -11.021 -1.539 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.654 -10.678 0.180 1.00 11.66 H new ATOM 237 N LEU A 15 2.787 -8.725 -2.036 1.00 8.29 N ATOM 238 CA LEU A 15 2.900 -8.181 -3.386 1.00 9.03 C ATOM 239 C LEU A 15 4.370 -8.083 -3.775 1.00 8.59 C ATOM 240 O LEU A 15 5.219 -8.198 -2.908 1.00 7.79 O ATOM 241 CB LEU A 15 2.373 -6.687 -3.427 1.00 11.08 C ATOM 242 CG LEU A 15 1.008 -6.455 -2.812 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.811 -4.994 -2.419 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.126 -6.944 -3.633 1.00 15.27 C ATOM 0 H LEU A 15 3.397 -8.262 -1.363 1.00 8.29 H new ATOM 0 HA LEU A 15 2.330 -8.833 -4.048 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.095 -6.052 -2.914 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.343 -6.360 -4.466 1.00 11.08 H new ATOM 0 HG LEU A 15 0.999 -7.066 -1.909 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.179 -4.865 -1.981 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.570 -4.708 -1.691 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.901 -4.364 -3.304 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.064 -6.737 -3.118 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.122 -6.436 -4.598 1.00 15.27 H new ATOM 0 HD23 LEU A 15 -0.026 -8.018 -3.788 1.00 15.27 H new ATOM 256 N GLU A 16 4.710 -7.954 -5.028 1.00 11.04 N ATOM 257 CA GLU A 16 6.047 -7.901 -5.573 1.00 11.50 C ATOM 258 C GLU A 16 6.184 -6.544 -6.215 1.00 10.13 C ATOM 259 O GLU A 16 5.400 -6.062 -7.088 1.00 9.83 O ATOM 260 CB GLU A 16 6.190 -9.009 -6.694 1.00 17.22 C ATOM 261 CG GLU A 16 7.634 -9.238 -7.168 1.00 23.33 C ATOM 262 CD GLU A 16 8.549 -9.861 -6.128 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.156 -10.943 -5.650 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.500 -9.231 -5.606 1.00 28.90 O ATOM 0 H GLU A 16 4.002 -7.876 -5.759 1.00 11.04 H new ATOM 0 HA GLU A 16 6.802 -8.067 -4.805 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.790 -9.949 -6.314 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.578 -8.725 -7.550 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.616 -9.880 -8.049 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.056 -8.282 -7.479 1.00 23.33 H new ATOM 271 N VAL A 17 7.109 -5.780 -5.612 1.00 8.99 N ATOM 272 CA VAL A 17 7.411 -4.386 -5.949 1.00 8.85 C ATOM 273 C VAL A 17 8.938 -4.229 -6.128 1.00 8.04 C ATOM 274 O VAL A 17 9.654 -5.188 -5.879 1.00 8.99 O ATOM 275 CB VAL A 17 6.970 -3.380 -4.922 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.372 -3.186 -5.000 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.389 -3.868 -3.532 1.00 10.54 C ATOM 0 H VAL A 17 7.686 -6.132 -4.849 1.00 8.99 H new ATOM 0 HA VAL A 17 6.852 -4.179 -6.861 1.00 8.85 H new ATOM 0 HB VAL A 17 7.442 -2.417 -5.118 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.057 -2.456 -4.254 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.097 -2.831 -5.993 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.880 -4.139 -4.806 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.073 -3.144 -2.781 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.920 -4.831 -3.328 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.473 -3.978 -3.496 1.00 10.54 H new ATOM 287 N GLU A 18 9.326 -3.025 -6.657 1.00 7.29 N ATOM 288 CA GLU A 18 10.628 -2.499 -6.802 1.00 7.08 C ATOM 289 C GLU A 18 10.641 -1.202 -6.073 1.00 6.45 C ATOM 290 O GLU A 18 9.595 -0.561 -5.943 1.00 5.28 O ATOM 291 CB GLU A 18 11.043 -2.201 -8.303 1.00 10.28 C ATOM 292 CG GLU A 18 11.241 -3.452 -9.180 1.00 12.65 C ATOM 293 CD GLU A 18 12.473 -4.245 -8.868 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.508 -3.758 -8.353 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.354 -5.471 -9.113 1.00 18.17 O ATOM 0 H GLU A 18 8.628 -2.372 -7.013 1.00 7.29 H new ATOM 0 HA GLU A 18 11.331 -3.240 -6.420 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.278 -1.573 -8.759 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.969 -1.625 -8.302 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.371 -4.099 -9.069 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.278 -3.145 -10.225 1.00 12.65 H new ATOM 302 N PRO A 19 11.734 -0.649 -5.569 1.00 7.24 N ATOM 303 CA PRO A 19 11.744 0.640 -4.833 1.00 7.07 C ATOM 304 C PRO A 19 11.454 1.819 -5.787 1.00 6.65 C ATOM 305 O PRO A 19 11.185 2.912 -5.324 1.00 6.37 O ATOM 306 CB PRO A 19 13.178 0.673 -4.244 1.00 7.61 C ATOM 307 CG PRO A 19 13.996 -0.204 -5.213 1.00 8.16 C ATOM 308 CD PRO A 19 13.010 -1.323 -5.482 1.00 7.49 C ATOM 0 HA PRO A 19 10.978 0.728 -4.063 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.568 1.690 -4.199 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.202 0.277 -3.229 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.272 0.331 -6.122 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.920 -0.566 -4.763 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.247 -1.851 -6.406 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.017 -2.063 -4.682 1.00 7.49 H new ATOM 316 N SER A 20 11.522 1.629 -7.144 1.00 6.80 N ATOM 317 CA SER A 20 11.250 2.721 -8.012 1.00 6.28 C ATOM 318 C SER A 20 9.744 2.855 -8.330 1.00 8.45 C ATOM 319 O SER A 20 9.281 3.797 -8.931 1.00 7.26 O ATOM 320 CB SER A 20 11.917 2.525 -9.386 1.00 8.57 C ATOM 321 OG SER A 20 11.521 1.292 -9.961 1.00 11.13 O ATOM 0 H SER A 20 11.757 0.749 -7.604 1.00 6.80 H new ATOM 0 HA SER A 20 11.629 3.596 -7.485 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.644 3.346 -10.049 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.001 2.550 -9.277 1.00 8.57 H new ATOM 0 HG SER A 20 11.953 1.185 -10.834 1.00 11.13 H new ATOM 327 N ASP A 21 8.939 1.808 -7.889 1.00 7.50 N ATOM 328 CA ASP A 21 7.494 1.961 -7.829 1.00 7.70 C ATOM 329 C ASP A 21 6.934 3.108 -6.941 1.00 7.08 C ATOM 330 O ASP A 21 7.447 3.403 -5.852 1.00 8.11 O ATOM 331 CB ASP A 21 6.950 0.582 -7.244 1.00 11.00 C ATOM 332 CG ASP A 21 7.142 -0.524 -8.302 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.889 -0.217 -9.501 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.375 -1.742 -7.992 1.00 18.03 O ATOM 0 H ASP A 21 9.288 0.898 -7.589 1.00 7.50 H new ATOM 0 HA ASP A 21 7.166 2.222 -8.835 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.484 0.325 -6.329 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.896 0.674 -6.983 1.00 11.00 H new ATOM 339 N THR A 22 5.738 3.661 -7.392 1.00 5.37 N ATOM 340 CA THR A 22 4.965 4.548 -6.546 1.00 6.01 C ATOM 341 C THR A 22 3.988 3.849 -5.547 1.00 8.01 C ATOM 342 O THR A 22 3.643 2.679 -5.717 1.00 8.11 O ATOM 343 CB THR A 22 4.245 5.668 -7.293 1.00 8.92 C ATOM 344 OG1 THR A 22 3.030 5.211 -7.946 1.00 10.22 O ATOM 345 CG2 THR A 22 5.147 6.379 -8.323 1.00 9.65 C ATOM 0 H THR A 22 5.335 3.489 -8.313 1.00 5.37 H new ATOM 0 HA THR A 22 5.750 5.002 -5.942 1.00 6.01 H new ATOM 0 HB THR A 22 3.975 6.389 -6.522 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.605 5.963 -8.409 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.580 7.165 -8.822 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.005 6.818 -7.814 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.494 5.657 -9.062 1.00 9.65 H new ATOM 353 N ILE A 23 3.478 4.514 -4.465 1.00 8.32 N ATOM 354 CA ILE A 23 2.453 3.930 -3.576 1.00 9.92 C ATOM 355 C ILE A 23 1.082 3.641 -4.358 1.00 10.01 C ATOM 356 O ILE A 23 0.264 2.819 -4.028 1.00 8.71 O ATOM 357 CB ILE A 23 2.292 4.722 -2.309 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.632 4.907 -1.615 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.284 4.009 -1.351 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.282 3.637 -1.012 1.00 12.30 C ATOM 0 H ILE A 23 3.768 5.455 -4.198 1.00 8.32 H new ATOM 0 HA ILE A 23 2.806 2.951 -3.251 1.00 9.92 H new ATOM 0 HB ILE A 23 1.900 5.706 -2.567 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.330 5.339 -2.332 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.504 5.636 -0.815 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.176 4.593 -0.437 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.315 3.922 -1.842 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.657 3.015 -1.105 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.232 3.900 -0.546 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.617 3.209 -0.262 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.456 2.907 -1.802 1.00 12.30 H new ATOM 372 N GLU A 24 0.834 4.429 -5.456 1.00 9.54 N ATOM 373 CA GLU A 24 -0.228 4.132 -6.421 1.00 11.81 C ATOM 374 C GLU A 24 0.080 2.820 -7.156 1.00 11.14 C ATOM 375 O GLU A 24 -0.794 2.004 -7.348 1.00 10.62 O ATOM 376 CB GLU A 24 -0.379 5.257 -7.465 1.00 19.24 C ATOM 377 CG GLU A 24 -1.833 5.268 -8.139 1.00 27.76 C ATOM 378 CD GLU A 24 -2.095 6.588 -8.812 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.649 6.680 -9.985 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.774 7.415 -8.165 1.00 36.51 O ATOM 0 H GLU A 24 1.368 5.270 -5.675 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.159 4.045 -5.861 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.194 6.220 -6.988 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.378 5.135 -8.240 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.908 4.461 -8.868 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.593 5.084 -7.380 1.00 27.76 H new ATOM 387 N ASN A 25 1.301 2.507 -7.643 1.00 9.43 N ATOM 388 CA ASN A 25 1.599 1.201 -8.177 1.00 10.96 C ATOM 389 C ASN A 25 1.375 0.036 -7.177 1.00 9.68 C ATOM 390 O ASN A 25 0.908 -1.060 -7.545 1.00 9.33 O ATOM 391 CB ASN A 25 3.075 1.119 -8.616 1.00 16.78 C ATOM 392 CG ASN A 25 3.283 1.730 -9.988 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.437 0.966 -10.986 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.466 3.135 -9.978 1.00 24.70 N ATOM 0 H ASN A 25 2.085 3.159 -7.668 1.00 9.43 H new ATOM 0 HA ASN A 25 0.907 1.085 -9.011 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.701 1.635 -7.888 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.394 0.077 -8.629 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.748 3.619 -10.831 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.316 3.663 -9.118 1.00 24.70 H new ATOM 401 N VAL A 26 1.552 0.294 -5.860 1.00 6.52 N ATOM 402 CA VAL A 26 1.219 -0.605 -4.744 1.00 5.53 C ATOM 403 C VAL A 26 -0.271 -0.945 -4.758 1.00 4.42 C ATOM 404 O VAL A 26 -0.670 -2.108 -4.741 1.00 3.40 O ATOM 405 CB VAL A 26 1.684 -0.099 -3.324 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.337 -1.114 -2.214 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.211 0.109 -3.345 1.00 8.12 C ATOM 0 H VAL A 26 1.949 1.177 -5.538 1.00 6.52 H new ATOM 0 HA VAL A 26 1.799 -1.512 -4.913 1.00 5.53 H new ATOM 0 HB VAL A 26 1.163 0.834 -3.109 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.673 -0.729 -1.251 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.258 -1.268 -2.186 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.834 -2.062 -2.420 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.544 0.459 -2.368 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.704 -0.835 -3.580 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.467 0.850 -4.102 1.00 8.12 H new ATOM 417 N LYS A 27 -1.167 0.052 -4.858 1.00 2.64 N ATOM 418 CA LYS A 27 -2.590 -0.098 -4.827 1.00 4.14 C ATOM 419 C LYS A 27 -3.142 -0.754 -6.091 1.00 5.58 C ATOM 420 O LYS A 27 -4.119 -1.476 -6.078 1.00 4.11 O ATOM 421 CB LYS A 27 -3.214 1.323 -4.571 1.00 3.97 C ATOM 422 CG LYS A 27 -2.869 2.037 -3.209 1.00 7.45 C ATOM 423 CD LYS A 27 -3.385 3.432 -3.141 1.00 9.02 C ATOM 424 CE LYS A 27 -2.956 4.172 -1.848 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.712 5.374 -1.731 1.00 15.47 N ATOM 0 H LYS A 27 -0.880 1.025 -4.967 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.867 -0.777 -4.021 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.900 1.979 -5.383 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.298 1.231 -4.637 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.288 1.459 -2.385 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.788 2.048 -3.074 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.028 3.989 -4.008 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.473 3.415 -3.200 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.121 3.537 -0.978 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.890 4.399 -1.879 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.199 6.050 -1.129 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.853 5.788 -2.674 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.636 5.163 -1.304 1.00 15.47 H new ATOM 439 N ALA A 28 -2.507 -0.521 -7.269 1.00 6.61 N ATOM 440 CA ALA A 28 -2.648 -1.285 -8.552 1.00 7.74 C ATOM 441 C ALA A 28 -2.474 -2.742 -8.439 1.00 9.17 C ATOM 442 O ALA A 28 -3.272 -3.565 -8.852 1.00 11.45 O ATOM 443 CB ALA A 28 -1.678 -0.753 -9.704 1.00 7.68 C ATOM 0 H ALA A 28 -1.843 0.248 -7.362 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.688 -1.098 -8.820 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.826 -1.345 -10.607 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.903 0.293 -9.915 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.642 -0.843 -9.377 1.00 7.68 H new ATOM 449 N LYS A 29 -1.357 -3.171 -7.734 1.00 8.96 N ATOM 450 CA LYS A 29 -1.019 -4.469 -7.386 1.00 7.90 C ATOM 451 C LYS A 29 -2.000 -5.132 -6.468 1.00 6.92 C ATOM 452 O LYS A 29 -2.292 -6.308 -6.650 1.00 6.87 O ATOM 453 CB LYS A 29 0.368 -4.477 -6.830 1.00 10.28 C ATOM 454 CG LYS A 29 1.494 -4.327 -7.909 1.00 14.94 C ATOM 455 CD LYS A 29 2.886 -3.887 -7.466 1.00 19.69 C ATOM 456 CE LYS A 29 3.864 -3.559 -8.597 1.00 22.63 C ATOM 457 NZ LYS A 29 4.252 -4.757 -9.330 1.00 24.98 N ATOM 0 H LYS A 29 -0.661 -2.503 -7.403 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.055 -5.073 -8.293 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.462 -3.666 -6.108 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.524 -5.408 -6.286 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.597 -5.288 -8.413 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.144 -3.612 -8.654 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.785 -3.008 -6.830 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.319 -4.676 -6.852 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.405 -2.845 -9.281 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.752 -3.080 -8.184 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.915 -4.500 -10.089 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.712 -5.427 -8.681 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.407 -5.200 -9.744 1.00 24.98 H new ATOM 471 N ILE A 30 -2.521 -4.422 -5.458 1.00 4.57 N ATOM 472 CA ILE A 30 -3.611 -4.816 -4.582 1.00 5.58 C ATOM 473 C ILE A 30 -4.866 -4.888 -5.322 1.00 7.26 C ATOM 474 O ILE A 30 -5.582 -5.845 -5.104 1.00 9.46 O ATOM 475 CB ILE A 30 -3.857 -3.951 -3.371 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.554 -3.909 -2.610 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.126 -4.429 -2.536 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.511 -2.906 -1.454 1.00 2.00 C ATOM 0 H ILE A 30 -2.162 -3.497 -5.223 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.278 -5.784 -4.208 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.133 -2.932 -3.643 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.349 -4.904 -2.215 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.751 -3.671 -3.308 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.262 -3.775 -1.674 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.014 -4.387 -3.167 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.972 -5.453 -2.194 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.535 -2.950 -0.970 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.680 -1.900 -1.839 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.287 -3.152 -0.729 1.00 2.00 H new ATOM 490 N GLN A 31 -5.223 -3.997 -6.225 1.00 7.06 N ATOM 491 CA GLN A 31 -6.437 -4.157 -7.068 1.00 8.67 C ATOM 492 C GLN A 31 -6.445 -5.394 -7.939 1.00 10.90 C ATOM 493 O GLN A 31 -7.468 -6.100 -8.090 1.00 9.63 O ATOM 494 CB GLN A 31 -6.616 -2.883 -7.952 1.00 9.12 C ATOM 495 CG GLN A 31 -7.903 -2.910 -8.833 1.00 10.76 C ATOM 496 CD GLN A 31 -8.033 -1.625 -9.781 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.013 -0.864 -9.663 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.967 -1.236 -10.511 1.00 14.76 N ATOM 0 H GLN A 31 -4.699 -3.142 -6.410 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.272 -4.284 -6.379 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.646 -2.005 -7.307 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.745 -2.774 -8.599 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.898 -3.810 -9.447 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.779 -2.969 -8.187 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.163 -1.856 -10.610 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.965 -0.322 -10.964 1.00 14.76 H new ATOM 507 N ASP A 32 -5.236 -5.725 -8.563 1.00 10.93 N ATOM 508 CA ASP A 32 -5.084 -6.878 -9.299 1.00 14.01 C ATOM 509 C ASP A 32 -5.364 -8.143 -8.470 1.00 14.04 C ATOM 510 O ASP A 32 -5.955 -9.140 -8.923 1.00 13.39 O ATOM 511 CB ASP A 32 -3.725 -6.985 -10.120 1.00 18.01 C ATOM 512 CG ASP A 32 -3.737 -5.855 -11.161 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.675 -5.966 -11.997 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.784 -5.037 -11.279 1.00 26.29 O ATOM 0 H ASP A 32 -4.398 -5.145 -8.517 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.856 -6.807 -10.066 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.865 -6.889 -9.457 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.644 -7.957 -10.607 1.00 18.01 H new ATOM 519 N LYS A 33 -4.879 -8.181 -7.206 1.00 14.22 N ATOM 520 CA LYS A 33 -5.076 -9.340 -6.361 1.00 14.00 C ATOM 521 C LYS A 33 -6.470 -9.354 -5.650 1.00 12.37 C ATOM 522 O LYS A 33 -7.274 -10.311 -5.708 1.00 12.17 O ATOM 523 CB LYS A 33 -3.959 -9.427 -5.333 1.00 18.62 C ATOM 524 CG LYS A 33 -2.514 -9.455 -5.926 1.00 24.00 C ATOM 525 CD LYS A 33 -1.579 -10.336 -5.143 1.00 27.61 C ATOM 526 CE LYS A 33 -0.150 -10.476 -5.838 1.00 27.64 C ATOM 527 NZ LYS A 33 0.694 -11.384 -5.064 1.00 30.06 N ATOM 0 H LYS A 33 -4.356 -7.421 -6.770 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.052 -10.214 -7.012 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.041 -8.576 -4.657 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.107 -10.325 -4.734 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.556 -9.804 -6.958 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.116 -8.441 -5.949 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.454 -9.928 -4.140 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.024 -11.325 -5.031 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.266 -10.851 -6.855 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.325 -9.498 -5.912 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.592 -11.537 -5.566 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.886 -10.968 -4.130 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.206 -12.294 -4.944 1.00 30.06 H new ATOM 541 N GLU A 34 -6.795 -8.320 -4.836 1.00 10.11 N ATOM 542 CA GLU A 34 -7.964 -8.345 -3.974 1.00 10.07 C ATOM 543 C GLU A 34 -9.150 -7.451 -4.532 1.00 9.32 C ATOM 544 O GLU A 34 -10.195 -7.544 -3.915 1.00 11.61 O ATOM 545 CB GLU A 34 -7.653 -7.763 -2.623 1.00 14.77 C ATOM 546 CG GLU A 34 -6.587 -8.532 -1.816 1.00 18.75 C ATOM 547 CD GLU A 34 -7.013 -9.904 -1.218 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.526 -9.960 -0.078 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.619 -10.929 -1.842 1.00 25.19 O ATOM 0 H GLU A 34 -6.249 -7.461 -4.771 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.251 -9.395 -3.923 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.316 -6.735 -2.755 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.573 -7.725 -2.039 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.725 -8.696 -2.462 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.255 -7.893 -0.998 1.00 18.75 H new ATOM 556 N GLY A 35 -8.993 -6.739 -5.655 1.00 7.22 N ATOM 557 CA GLY A 35 -10.188 -6.233 -6.343 1.00 6.29 C ATOM 558 C GLY A 35 -10.558 -4.848 -5.928 1.00 6.93 C ATOM 559 O GLY A 35 -11.661 -4.374 -6.259 1.00 7.41 O ATOM 0 H GLY A 35 -8.099 -6.509 -6.090 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.015 -6.250 -7.419 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.025 -6.902 -6.144 1.00 6.29 H new ATOM 563 N ILE A 36 -9.681 -4.116 -5.205 1.00 5.86 N ATOM 564 CA ILE A 36 -10.085 -2.880 -4.610 1.00 6.07 C ATOM 565 C ILE A 36 -9.573 -1.697 -5.457 1.00 6.36 C ATOM 566 O ILE A 36 -8.389 -1.641 -5.684 1.00 6.18 O ATOM 567 CB ILE A 36 -9.617 -2.827 -3.105 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.929 -4.056 -2.331 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.209 -1.499 -2.520 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.357 -3.868 -0.938 1.00 9.49 C ATOM 0 H ILE A 36 -8.710 -4.378 -5.037 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.172 -2.804 -4.597 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.530 -2.810 -3.031 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.006 -4.219 -2.286 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.494 -4.933 -2.810 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.920 -1.402 -1.474 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.824 -0.649 -3.084 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.296 -1.521 -2.595 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.566 -4.753 -0.336 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.279 -3.721 -1.004 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.814 -2.996 -0.472 1.00 9.49 H new ATOM 582 N PRO A 37 -10.423 -0.757 -5.902 1.00 8.65 N ATOM 583 CA PRO A 37 -9.963 0.427 -6.575 1.00 9.18 C ATOM 584 C PRO A 37 -8.983 1.325 -5.793 1.00 9.85 C ATOM 585 O PRO A 37 -9.322 1.602 -4.649 1.00 8.51 O ATOM 586 CB PRO A 37 -11.322 1.203 -6.715 1.00 11.42 C ATOM 587 CG PRO A 37 -12.376 0.056 -6.886 1.00 9.27 C ATOM 588 CD PRO A 37 -11.928 -0.996 -5.930 1.00 8.33 C ATOM 0 HA PRO A 37 -9.405 0.170 -7.475 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.530 1.812 -5.835 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.315 1.874 -7.574 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.383 0.402 -6.654 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.395 -0.318 -7.910 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.381 -0.876 -4.946 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.178 -1.999 -6.276 1.00 8.33 H new ATOM 596 N PRO A 38 -7.789 1.732 -6.310 1.00 8.71 N ATOM 597 CA PRO A 38 -6.859 2.548 -5.596 1.00 9.08 C ATOM 598 C PRO A 38 -7.322 3.843 -4.969 1.00 9.28 C ATOM 599 O PRO A 38 -6.727 4.257 -3.980 1.00 6.50 O ATOM 600 CB PRO A 38 -5.803 2.950 -6.641 1.00 10.31 C ATOM 601 CG PRO A 38 -5.763 1.757 -7.552 1.00 10.81 C ATOM 602 CD PRO A 38 -7.203 1.231 -7.605 1.00 12.00 C ATOM 0 HA PRO A 38 -6.557 1.939 -4.744 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.087 3.857 -7.175 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.833 3.141 -6.182 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.410 2.034 -8.545 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.081 0.996 -7.172 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.743 1.617 -8.470 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.234 0.143 -7.669 1.00 12.00 H new ATOM 610 N ASP A 39 -8.455 4.477 -5.418 1.00 11.20 N ATOM 611 CA ASP A 39 -9.052 5.657 -4.816 1.00 14.96 C ATOM 612 C ASP A 39 -9.639 5.417 -3.458 1.00 13.99 C ATOM 613 O ASP A 39 -9.776 6.355 -2.642 1.00 13.75 O ATOM 614 CB ASP A 39 -10.099 6.393 -5.693 1.00 24.16 C ATOM 615 CG ASP A 39 -9.346 7.024 -6.851 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.413 7.842 -6.672 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.646 6.550 -8.033 1.00 34.22 O ATOM 0 H ASP A 39 -8.971 4.149 -6.234 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.187 6.314 -4.719 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.854 5.696 -6.058 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.621 7.154 -5.113 1.00 24.16 H new ATOM 622 N GLN A 40 -10.091 4.160 -3.234 1.00 11.60 N ATOM 623 CA GLN A 40 -10.581 3.754 -1.933 1.00 10.76 C ATOM 624 C GLN A 40 -9.495 3.255 -0.915 1.00 8.01 C ATOM 625 O GLN A 40 -9.758 3.099 0.309 1.00 8.96 O ATOM 626 CB GLN A 40 -11.666 2.685 -2.166 1.00 11.14 C ATOM 627 CG GLN A 40 -12.498 2.109 -0.958 1.00 14.85 C ATOM 628 CD GLN A 40 -13.374 1.013 -1.406 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.234 -0.093 -0.923 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.227 1.233 -2.444 1.00 18.16 N ATOM 0 H GLN A 40 -10.119 3.428 -3.944 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.978 4.644 -1.445 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.379 3.101 -2.878 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.184 1.839 -2.656 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.822 1.747 -0.184 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.098 2.902 -0.512 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.327 2.171 -2.832 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.766 0.460 -2.834 1.00 18.16 H new ATOM 639 N GLN A 41 -8.301 2.981 -1.399 1.00 6.52 N ATOM 640 CA GLN A 41 -7.173 2.414 -0.727 1.00 3.87 C ATOM 641 C GLN A 41 -6.353 3.439 0.030 1.00 4.79 C ATOM 642 O GLN A 41 -6.130 4.551 -0.475 1.00 6.34 O ATOM 643 CB GLN A 41 -6.340 1.592 -1.793 1.00 4.20 C ATOM 644 CG GLN A 41 -6.916 0.313 -2.294 1.00 3.20 C ATOM 645 CD GLN A 41 -5.917 -0.532 -3.082 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.837 -0.847 -2.514 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.120 -0.762 -4.399 1.00 7.13 N ATOM 0 H GLN A 41 -8.085 3.175 -2.377 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.513 1.739 0.058 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.166 2.239 -2.652 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.365 1.372 -1.358 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.285 -0.267 -1.448 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.775 0.533 -2.928 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.004 -0.497 -4.833 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.389 -1.201 -4.959 1.00 7.13 H new ATOM 656 N ARG A 42 -5.917 3.163 1.250 1.00 5.73 N ATOM 657 CA ARG A 42 -5.009 3.975 2.009 1.00 6.97 C ATOM 658 C ARG A 42 -4.028 3.063 2.707 1.00 7.15 C ATOM 659 O ARG A 42 -4.406 2.035 3.281 1.00 7.33 O ATOM 660 CB ARG A 42 -5.774 4.761 3.152 1.00 13.23 C ATOM 661 CG ARG A 42 -6.921 5.646 2.536 1.00 21.27 C ATOM 662 CD ARG A 42 -7.419 6.718 3.562 1.00 26.14 C ATOM 663 NE ARG A 42 -8.553 7.422 2.885 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.393 8.306 3.454 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.468 8.429 4.737 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.132 9.199 2.745 1.00 36.39 N ATOM 0 H ARG A 42 -6.207 2.324 1.752 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.525 4.675 1.328 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.195 4.055 3.868 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.074 5.392 3.700 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.558 6.141 1.635 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.754 5.010 2.237 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.746 6.250 4.491 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.622 7.415 3.819 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.703 7.212 1.898 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.884 7.850 5.340 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.112 9.105 5.148 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.066 9.222 1.727 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.753 9.846 3.230 1.00 36.39 H new ATOM 680 N LEU A 43 -2.714 3.322 2.616 1.00 4.65 N ATOM 681 CA LEU A 43 -1.647 2.437 2.954 1.00 3.51 C ATOM 682 C LEU A 43 -0.783 3.078 4.055 1.00 5.56 C ATOM 683 O LEU A 43 -0.196 4.166 3.786 1.00 4.19 O ATOM 684 CB LEU A 43 -0.771 2.111 1.743 1.00 3.74 C ATOM 685 CG LEU A 43 -1.457 1.152 0.679 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.585 1.190 -0.531 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.490 -0.343 1.196 1.00 6.41 C ATOM 0 H LEU A 43 -2.372 4.222 2.279 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.084 1.504 3.309 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.493 3.042 1.249 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.152 1.647 2.091 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.480 1.476 0.488 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.006 0.546 -1.303 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.525 2.212 -0.904 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.414 0.839 -0.271 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.965 -0.977 0.447 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.472 -0.690 1.372 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.056 -0.394 2.126 1.00 6.41 H new ATOM 699 N ILE A 44 -0.670 2.462 5.259 1.00 4.58 N ATOM 700 CA ILE A 44 0.025 2.951 6.462 1.00 5.55 C ATOM 701 C ILE A 44 1.343 2.156 6.770 1.00 5.46 C ATOM 702 O ILE A 44 1.258 0.935 6.859 1.00 6.04 O ATOM 703 CB ILE A 44 -0.798 3.032 7.809 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.034 3.946 7.555 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.121 3.580 8.975 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.843 4.103 8.882 1.00 13.90 C ATOM 0 H ILE A 44 -1.094 1.548 5.419 1.00 4.58 H new ATOM 0 HA ILE A 44 0.225 3.979 6.160 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.143 2.046 8.120 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.710 4.923 7.195 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.666 3.514 6.779 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.455 3.632 9.899 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.970 2.911 9.114 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.482 4.575 8.716 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.708 4.742 8.707 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.178 3.123 9.222 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.207 4.553 9.644 1.00 13.90 H new ATOM 718 N PHE A 45 2.465 2.877 6.970 1.00 6.75 N ATOM 719 CA PHE A 45 3.773 2.211 7.289 1.00 4.70 C ATOM 720 C PHE A 45 4.516 3.018 8.340 1.00 6.34 C ATOM 721 O PHE A 45 4.801 4.196 8.178 1.00 5.45 O ATOM 722 CB PHE A 45 4.680 2.041 6.045 1.00 5.51 C ATOM 723 CG PHE A 45 6.151 1.720 6.177 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.580 0.351 6.375 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.120 2.718 6.035 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.934 0.094 6.462 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.483 2.392 6.168 1.00 6.64 C ATOM 728 CZ PHE A 45 8.930 1.110 6.299 1.00 6.84 C ATOM 0 H PHE A 45 2.508 3.895 6.921 1.00 6.75 H new ATOM 0 HA PHE A 45 3.538 1.214 7.662 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.237 1.253 5.436 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.608 2.965 5.472 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.859 -0.449 6.453 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.824 3.735 5.824 1.00 5.87 H new ATOM 0 HE1 PHE A 45 8.256 -0.917 6.662 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.207 3.193 6.166 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.983 0.873 6.281 1.00 6.84 H new ATOM 738 N ALA A 46 4.791 2.306 9.457 1.00 6.53 N ATOM 739 CA ALA A 46 5.568 2.860 10.546 1.00 7.15 C ATOM 740 C ALA A 46 4.994 4.153 11.145 1.00 9.00 C ATOM 741 O ALA A 46 5.561 5.200 11.446 1.00 11.15 O ATOM 742 CB ALA A 46 7.002 2.939 10.073 1.00 8.99 C ATOM 0 H ALA A 46 4.478 1.347 9.610 1.00 6.53 H new ATOM 0 HA ALA A 46 5.519 2.203 11.414 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.625 3.353 10.866 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.356 1.940 9.817 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.060 3.581 9.194 1.00 8.99 H new ATOM 748 N GLY A 47 3.661 4.063 11.351 1.00 9.35 N ATOM 749 CA GLY A 47 2.863 5.095 11.923 1.00 11.68 C ATOM 750 C GLY A 47 2.573 6.206 10.905 1.00 11.14 C ATOM 751 O GLY A 47 1.907 7.184 11.324 1.00 13.93 O ATOM 0 H GLY A 47 3.123 3.232 11.106 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.924 4.674 12.282 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.375 5.516 12.788 1.00 11.68 H new ATOM 755 N LYS A 48 2.999 6.172 9.619 1.00 10.47 N ATOM 756 CA LYS A 48 2.684 7.219 8.634 1.00 8.82 C ATOM 757 C LYS A 48 1.840 6.731 7.509 1.00 7.68 C ATOM 758 O LYS A 48 1.995 5.643 6.983 1.00 6.47 O ATOM 759 CB LYS A 48 4.052 7.712 8.062 1.00 9.74 C ATOM 760 CG LYS A 48 4.886 8.224 9.265 1.00 14.14 C ATOM 761 CD LYS A 48 6.178 9.018 8.879 1.00 16.32 C ATOM 762 CE LYS A 48 7.144 8.204 8.059 1.00 20.04 C ATOM 763 NZ LYS A 48 8.295 9.091 7.735 1.00 23.92 N ATOM 0 H LYS A 48 3.570 5.416 9.242 1.00 10.47 H new ATOM 0 HA LYS A 48 2.115 8.007 9.127 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.571 6.902 7.550 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.901 8.506 7.331 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.254 8.864 9.881 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.171 7.371 9.880 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.896 9.910 8.320 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.676 9.356 9.788 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.477 7.327 8.614 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.667 7.843 7.148 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.989 8.565 7.167 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.958 9.914 7.196 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.743 9.414 8.616 1.00 23.92 H new ATOM 777 N GLN A 49 0.886 7.548 7.068 1.00 8.89 N ATOM 778 CA GLN A 49 0.121 7.348 5.861 1.00 7.18 C ATOM 779 C GLN A 49 0.913 7.714 4.658 1.00 8.23 C ATOM 780 O GLN A 49 1.412 8.855 4.568 1.00 9.70 O ATOM 781 CB GLN A 49 -1.238 8.068 5.851 1.00 11.67 C ATOM 782 CG GLN A 49 -2.238 7.283 5.021 1.00 15.82 C ATOM 783 CD GLN A 49 -3.568 8.094 4.911 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.499 7.812 5.690 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.615 9.162 4.089 1.00 20.67 N ATOM 0 H GLN A 49 0.622 8.397 7.568 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.103 6.282 5.835 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.607 8.179 6.871 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.123 9.072 5.443 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.832 7.091 4.028 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.427 6.313 5.481 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.833 9.360 3.465 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.433 9.772 4.091 1.00 20.67 H new ATOM 794 N LEU A 50 1.119 6.801 3.729 1.00 6.51 N ATOM 795 CA LEU A 50 1.942 7.075 2.525 1.00 7.41 C ATOM 796 C LEU A 50 1.141 7.606 1.317 1.00 8.27 C ATOM 797 O LEU A 50 -0.009 7.273 1.039 1.00 8.34 O ATOM 798 CB LEU A 50 2.593 5.729 2.063 1.00 7.13 C ATOM 799 CG LEU A 50 3.301 4.921 3.093 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.730 3.647 2.450 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.454 5.643 3.840 1.00 9.11 C ATOM 0 H LEU A 50 0.736 5.857 3.768 1.00 6.51 H new ATOM 0 HA LEU A 50 2.661 7.841 2.816 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.810 5.108 1.628 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.302 5.954 1.266 1.00 7.13 H new ATOM 0 HG LEU A 50 2.600 4.727 3.905 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.254 3.029 3.180 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.854 3.112 2.083 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.396 3.867 1.616 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.899 4.963 4.566 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.213 5.955 3.123 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.061 6.519 4.357 1.00 9.11 H new ATOM 813 N GLU A 51 1.657 8.698 0.663 1.00 9.43 N ATOM 814 CA GLU A 51 1.050 9.347 -0.482 1.00 11.90 C ATOM 815 C GLU A 51 1.273 8.648 -1.772 1.00 11.49 C ATOM 816 O GLU A 51 2.403 8.146 -2.088 1.00 9.88 O ATOM 817 CB GLU A 51 1.638 10.841 -0.721 1.00 16.56 C ATOM 818 CG GLU A 51 1.348 11.821 0.449 1.00 26.06 C ATOM 819 CD GLU A 51 1.848 13.250 0.316 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.740 13.595 -0.459 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.211 14.073 1.062 1.00 33.44 O ATOM 0 H GLU A 51 2.531 9.139 0.949 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.009 9.345 -0.224 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.716 10.778 -0.872 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.211 11.247 -1.638 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.269 11.856 0.597 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.780 11.398 1.356 1.00 26.06 H new ATOM 828 N ASP A 52 0.194 8.522 -2.582 1.00 12.71 N ATOM 829 CA ASP A 52 0.167 7.778 -3.833 1.00 16.56 C ATOM 830 C ASP A 52 1.195 8.168 -4.882 1.00 15.83 C ATOM 831 O ASP A 52 1.834 7.376 -5.526 1.00 17.21 O ATOM 832 CB ASP A 52 -1.255 7.916 -4.532 1.00 21.05 C ATOM 833 CG ASP A 52 -2.412 7.476 -3.657 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.719 8.201 -2.649 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.074 6.530 -4.020 1.00 25.82 O ATOM 0 H ASP A 52 -0.703 8.955 -2.362 1.00 12.71 H new ATOM 0 HA ASP A 52 0.403 6.764 -3.512 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.407 8.955 -4.824 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.258 7.324 -5.447 1.00 21.05 H new ATOM 840 N GLY A 53 1.458 9.506 -4.971 1.00 15.00 N ATOM 841 CA GLY A 53 2.397 10.100 -5.932 1.00 11.77 C ATOM 842 C GLY A 53 3.772 10.147 -5.436 1.00 11.10 C ATOM 843 O GLY A 53 4.535 11.002 -5.932 1.00 11.25 O ATOM 0 H GLY A 53 1.013 10.196 -4.366 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.371 9.527 -6.859 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.069 11.111 -6.174 1.00 11.77 H new ATOM 847 N ARG A 54 4.188 9.216 -4.534 1.00 8.53 N ATOM 848 CA ARG A 54 5.545 9.095 -4.107 1.00 9.05 C ATOM 849 C ARG A 54 6.055 7.715 -4.267 1.00 8.96 C ATOM 850 O ARG A 54 5.318 6.764 -4.024 1.00 11.60 O ATOM 851 CB ARG A 54 5.666 9.476 -2.584 1.00 7.97 C ATOM 852 CG ARG A 54 5.517 11.005 -2.354 1.00 9.62 C ATOM 853 CD ARG A 54 5.415 11.331 -0.883 1.00 12.20 C ATOM 854 NE ARG A 54 5.292 12.833 -0.800 1.00 18.23 N ATOM 855 CZ ARG A 54 6.276 13.642 -0.511 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.490 13.213 -0.225 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.075 14.960 -0.333 1.00 23.38 N ATOM 0 H ARG A 54 3.560 8.540 -4.100 1.00 8.53 H new ATOM 0 HA ARG A 54 6.133 9.769 -4.730 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.900 8.947 -2.016 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.632 9.144 -2.203 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.372 11.525 -2.785 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.629 11.368 -2.872 1.00 9.62 H new ATOM 0 HD2 ARG A 54 4.550 10.843 -0.434 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.295 10.981 -0.343 1.00 12.20 H new ATOM 0 HE ARG A 54 4.377 13.245 -0.982 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.690 12.213 -0.224 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.228 13.881 -0.005 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.137 15.350 -0.423 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.861 15.570 -0.108 1.00 23.38 H new ATOM 871 N THR A 55 7.283 7.658 -4.792 1.00 9.05 N ATOM 872 CA THR A 55 7.976 6.369 -4.781 1.00 9.03 C ATOM 873 C THR A 55 8.283 5.744 -3.379 1.00 8.15 C ATOM 874 O THR A 55 8.388 6.371 -2.341 1.00 5.91 O ATOM 875 CB THR A 55 9.180 6.248 -5.721 1.00 11.15 C ATOM 876 OG1 THR A 55 10.180 7.165 -5.253 1.00 11.95 O ATOM 877 CG2 THR A 55 8.744 6.628 -7.176 1.00 11.71 C ATOM 0 H THR A 55 7.792 8.439 -5.206 1.00 9.05 H new ATOM 0 HA THR A 55 7.189 5.746 -5.206 1.00 9.03 H new ATOM 0 HB THR A 55 9.569 5.230 -5.732 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.921 6.664 -4.853 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.599 6.543 -7.846 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.955 5.953 -7.507 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.374 7.653 -7.189 1.00 11.71 H new ATOM 885 N LEU A 56 8.469 4.372 -3.387 1.00 6.91 N ATOM 886 CA LEU A 56 8.917 3.569 -2.273 1.00 8.29 C ATOM 887 C LEU A 56 10.231 3.962 -1.740 1.00 8.05 C ATOM 888 O LEU A 56 10.468 4.212 -0.564 1.00 10.17 O ATOM 889 CB LEU A 56 8.981 2.047 -2.708 1.00 6.60 C ATOM 890 CG LEU A 56 7.644 1.322 -2.517 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.540 1.743 -3.488 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.995 -0.160 -2.567 1.00 8.64 C ATOM 0 H LEU A 56 8.293 3.813 -4.221 1.00 6.91 H new ATOM 0 HA LEU A 56 8.191 3.730 -1.476 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.278 1.984 -3.755 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.751 1.539 -2.128 1.00 6.60 H new ATOM 0 HG LEU A 56 7.187 1.592 -1.565 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.633 1.177 -3.276 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.339 2.808 -3.370 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.860 1.545 -4.511 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.090 -0.753 -2.438 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.448 -0.394 -3.530 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.699 -0.394 -1.769 1.00 8.64 H new ATOM 904 N SER A 57 11.200 4.250 -2.683 1.00 8.92 N ATOM 905 CA SER A 57 12.515 4.905 -2.475 1.00 9.00 C ATOM 906 C SER A 57 12.537 6.332 -1.829 1.00 9.44 C ATOM 907 O SER A 57 13.435 6.615 -1.039 1.00 10.91 O ATOM 908 CB SER A 57 13.158 4.933 -3.880 1.00 10.32 C ATOM 909 OG SER A 57 12.410 5.726 -4.759 1.00 13.59 O ATOM 0 H SER A 57 11.057 4.009 -3.664 1.00 8.92 H new ATOM 0 HA SER A 57 13.054 4.329 -1.723 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.175 5.320 -3.811 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.229 3.918 -4.271 1.00 10.32 H new ATOM 0 HG SER A 57 12.837 5.729 -5.641 1.00 13.59 H new ATOM 915 N ASP A 58 11.549 7.177 -2.078 1.00 9.11 N ATOM 916 CA ASP A 58 11.289 8.403 -1.383 1.00 7.91 C ATOM 917 C ASP A 58 11.080 8.179 0.091 1.00 9.12 C ATOM 918 O ASP A 58 11.539 8.926 0.924 1.00 8.61 O ATOM 919 CB ASP A 58 9.959 9.021 -1.933 1.00 8.41 C ATOM 920 CG ASP A 58 9.779 10.474 -1.644 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.570 11.308 -2.163 1.00 10.05 O ATOM 922 OD2 ASP A 58 8.789 10.731 -0.862 1.00 11.70 O ATOM 0 H ASP A 58 10.871 7.003 -2.820 1.00 9.11 H new ATOM 0 HA ASP A 58 12.150 9.054 -1.536 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.925 8.872 -3.012 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.117 8.473 -1.509 1.00 8.41 H new ATOM 927 N TYR A 59 10.329 7.134 0.501 1.00 7.97 N ATOM 928 CA TYR A 59 10.189 6.828 1.913 1.00 8.45 C ATOM 929 C TYR A 59 11.313 5.985 2.537 1.00 10.98 C ATOM 930 O TYR A 59 11.603 6.090 3.780 1.00 12.95 O ATOM 931 CB TYR A 59 8.776 6.258 2.159 1.00 7.94 C ATOM 932 CG TYR A 59 7.655 7.233 2.121 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.294 8.084 3.187 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.864 7.245 0.947 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.107 8.833 3.151 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.636 7.960 0.985 1.00 6.52 C ATOM 937 CZ TYR A 59 5.292 8.746 2.029 1.00 6.76 C ATOM 938 OH TYR A 59 4.112 9.490 1.963 1.00 7.63 O ATOM 0 H TYR A 59 9.824 6.507 -0.125 1.00 7.97 H new ATOM 0 HA TYR A 59 10.306 7.767 2.454 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.584 5.487 1.413 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.770 5.768 3.133 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.943 8.161 4.047 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.183 6.729 0.053 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.832 9.466 3.982 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.955 7.872 0.151 1.00 6.52 H new ATOM 0 HH TYR A 59 4.321 10.413 1.710 1.00 7.63 H new ATOM 948 N ASN A 60 11.946 5.252 1.659 1.00 12.38 N ATOM 949 CA ASN A 60 13.061 4.332 1.900 1.00 13.94 C ATOM 950 C ASN A 60 12.649 2.992 2.378 1.00 14.16 C ATOM 951 O ASN A 60 13.350 2.309 3.110 1.00 14.26 O ATOM 952 CB ASN A 60 14.214 4.792 2.745 1.00 19.23 C ATOM 953 CG ASN A 60 14.835 6.122 2.186 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.617 7.219 2.681 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.694 5.955 1.115 1.00 24.09 N ATOM 0 H ASN A 60 11.685 5.274 0.673 1.00 12.38 H new ATOM 0 HA ASN A 60 13.444 4.290 0.881 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.877 4.948 3.770 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.978 4.016 2.775 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.170 6.762 0.712 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.852 5.025 0.728 1.00 24.09 H new ATOM 962 N ILE A 61 11.474 2.507 1.867 1.00 11.08 N ATOM 963 CA ILE A 61 10.888 1.322 2.392 1.00 11.78 C ATOM 964 C ILE A 61 11.603 0.125 1.774 1.00 13.74 C ATOM 965 O ILE A 61 11.526 -0.217 0.579 1.00 14.60 O ATOM 966 CB ILE A 61 9.411 1.292 2.055 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.635 2.531 2.606 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.822 0.026 2.717 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.286 2.973 1.988 1.00 11.42 C ATOM 0 H ILE A 61 10.954 2.941 1.104 1.00 11.08 H new ATOM 0 HA ILE A 61 10.990 1.291 3.477 1.00 11.78 H new ATOM 0 HB ILE A 61 9.306 1.299 0.970 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.455 2.348 3.665 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.310 3.384 2.540 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.756 -0.036 2.499 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.325 -0.858 2.324 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.970 0.077 3.796 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.915 3.852 2.515 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.430 3.215 0.935 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.562 2.163 2.078 1.00 11.42 H new ATOM 981 N GLN A 62 12.354 -0.700 2.564 1.00 13.97 N ATOM 982 CA GLN A 62 13.143 -1.830 2.090 1.00 15.52 C ATOM 983 C GLN A 62 12.332 -3.101 2.066 1.00 13.94 C ATOM 984 O GLN A 62 11.304 -3.190 2.763 1.00 12.15 O ATOM 985 CB GLN A 62 14.437 -2.079 2.885 1.00 19.53 C ATOM 986 CG GLN A 62 15.307 -0.828 3.021 1.00 26.38 C ATOM 987 CD GLN A 62 15.877 -0.210 1.707 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.398 -0.760 0.732 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.668 1.123 1.603 1.00 32.71 N ATOM 0 H GLN A 62 12.414 -0.575 3.575 1.00 13.97 H new ATOM 0 HA GLN A 62 13.435 -1.549 1.078 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.181 -2.446 3.879 1.00 19.53 H new ATOM 0 HB3 GLN A 62 15.013 -2.863 2.394 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.720 -0.062 3.528 1.00 26.38 H new ATOM 0 HG3 GLN A 62 16.147 -1.070 3.673 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.241 1.634 2.376 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.938 1.617 0.752 1.00 32.71 H new ATOM 998 N LYS A 63 12.802 -4.148 1.277 1.00 11.73 N ATOM 999 CA LYS A 63 12.264 -5.471 1.156 1.00 11.97 C ATOM 1000 C LYS A 63 11.781 -6.063 2.521 1.00 10.41 C ATOM 1001 O LYS A 63 12.248 -5.876 3.620 1.00 9.59 O ATOM 1002 CB LYS A 63 13.351 -6.386 0.549 1.00 13.73 C ATOM 1003 CG LYS A 63 14.533 -6.776 1.460 1.00 16.98 C ATOM 1004 CD LYS A 63 15.817 -7.184 0.700 1.00 20.19 C ATOM 1005 CE LYS A 63 16.952 -7.729 1.590 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.479 -9.035 2.100 1.00 25.97 N ATOM 0 H LYS A 63 13.626 -4.027 0.688 1.00 11.73 H new ATOM 0 HA LYS A 63 11.386 -5.417 0.513 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.870 -7.303 0.209 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.754 -5.891 -0.335 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.764 -5.936 2.115 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.226 -7.603 2.100 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.559 -7.942 -0.039 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.188 -6.318 0.152 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.874 -7.843 1.020 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.167 -7.045 2.410 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.285 -9.573 2.478 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.781 -8.881 2.855 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.038 -9.571 1.326 1.00 25.97 H new ATOM 1020 N GLU A 64 10.707 -6.906 2.464 1.00 10.04 N ATOM 1021 CA GLU A 64 10.038 -7.683 3.502 1.00 10.94 C ATOM 1022 C GLU A 64 9.397 -6.889 4.616 1.00 9.74 C ATOM 1023 O GLU A 64 9.452 -7.221 5.791 1.00 9.42 O ATOM 1024 CB GLU A 64 10.828 -8.947 3.980 1.00 18.31 C ATOM 1025 CG GLU A 64 11.087 -10.024 2.916 1.00 24.16 C ATOM 1026 CD GLU A 64 12.007 -11.127 3.416 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.859 -10.858 4.266 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.843 -12.272 2.947 1.00 31.72 O ATOM 0 H GLU A 64 10.248 -7.061 1.566 1.00 10.04 H new ATOM 0 HA GLU A 64 9.175 -8.084 2.971 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.788 -8.621 4.379 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.279 -9.403 4.804 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.137 -10.460 2.606 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.528 -9.560 2.034 1.00 24.16 H new ATOM 1035 N SER A 65 8.792 -5.759 4.218 1.00 6.85 N ATOM 1036 CA SER A 65 8.220 -4.812 5.073 1.00 6.90 C ATOM 1037 C SER A 65 6.750 -5.034 5.021 1.00 4.72 C ATOM 1038 O SER A 65 6.217 -5.630 4.101 1.00 3.91 O ATOM 1039 CB SER A 65 8.423 -3.389 4.630 1.00 7.28 C ATOM 1040 OG SER A 65 9.733 -2.931 4.938 1.00 10.56 O ATOM 0 H SER A 65 8.706 -5.506 3.234 1.00 6.85 H new ATOM 0 HA SER A 65 8.682 -4.936 6.052 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.253 -3.313 3.556 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.688 -2.747 5.116 1.00 7.28 H new ATOM 0 HG SER A 65 10.352 -3.212 4.232 1.00 10.56 H new ATOM 1046 N THR A 66 6.054 -4.459 6.052 1.00 4.48 N ATOM 1047 CA THR A 66 4.581 -4.681 6.209 1.00 3.80 C ATOM 1048 C THR A 66 3.940 -3.338 6.238 1.00 4.60 C ATOM 1049 O THR A 66 4.363 -2.480 7.099 1.00 5.33 O ATOM 1050 CB THR A 66 4.210 -5.470 7.501 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.864 -6.714 7.604 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.677 -5.762 7.540 1.00 3.40 C ATOM 0 H THR A 66 6.473 -3.859 6.763 1.00 4.48 H new ATOM 0 HA THR A 66 4.229 -5.290 5.377 1.00 3.80 H new ATOM 0 HB THR A 66 4.526 -4.833 8.327 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.592 -7.159 8.434 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.435 -6.314 8.448 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.127 -4.821 7.529 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.397 -6.356 6.670 1.00 3.40 H new ATOM 1060 N LEU A 67 3.016 -3.109 5.298 1.00 4.17 N ATOM 1061 CA LEU A 67 2.103 -2.011 5.212 1.00 3.85 C ATOM 1062 C LEU A 67 0.770 -2.475 5.809 1.00 3.80 C ATOM 1063 O LEU A 67 0.606 -3.706 6.033 1.00 5.54 O ATOM 1064 CB LEU A 67 1.778 -1.644 3.800 1.00 7.18 C ATOM 1065 CG LEU A 67 2.989 -1.549 2.901 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.651 -1.079 1.508 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.049 -0.526 3.386 1.00 11.66 C ATOM 0 H LEU A 67 2.894 -3.756 4.519 1.00 4.17 H new ATOM 0 HA LEU A 67 2.564 -1.164 5.720 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.090 -2.384 3.391 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.256 -0.687 3.794 1.00 7.18 H new ATOM 0 HG LEU A 67 3.373 -2.569 2.919 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.561 -1.031 0.910 1.00 8.12 H new ATOM 0 HD12 LEU A 67 1.951 -1.777 1.048 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.197 -0.089 1.558 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.888 -0.514 2.690 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.602 0.467 3.432 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.403 -0.811 4.377 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.066 -1.508 6.162 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.478 -1.740 6.661 1.00 4.17 C ATOM 1081 C HIS A 68 -2.360 -1.101 5.659 1.00 5.32 C ATOM 1082 O HIS A 68 -2.094 0.002 5.184 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.752 -1.040 8.047 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.776 -1.496 9.064 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.501 -1.002 9.132 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.816 -2.503 10.034 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.212 -1.673 10.064 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.476 -2.676 10.643 1.00 16.30 N ATOM 0 H HIS A 68 0.188 -0.521 6.122 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.646 -2.809 6.793 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.688 0.042 7.933 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.765 -1.266 8.380 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.862 -0.238 8.561 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.697 -3.073 10.291 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.236 -1.447 10.322 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.460 -1.808 5.276 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.468 -1.307 4.381 1.00 3.97 C ATOM 1098 C LEU A 69 -5.741 -0.862 5.007 1.00 5.07 C ATOM 1099 O LEU A 69 -6.434 -1.647 5.642 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.810 -2.380 3.248 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.741 -1.938 2.131 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.113 -0.862 1.156 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.266 -3.068 1.300 1.00 9.96 C ATOM 0 H LEU A 69 -3.647 -2.756 5.603 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.008 -0.410 3.965 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.873 -2.706 2.797 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.252 -3.252 3.731 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.566 -1.481 2.677 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.840 -0.599 0.387 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.845 0.030 1.722 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.220 -1.274 0.685 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.923 -2.675 0.524 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.433 -3.597 0.837 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.825 -3.756 1.934 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.120 0.386 4.833 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.114 1.147 5.570 1.00 6.26 C ATOM 1117 C VAL A 70 -8.050 1.578 4.483 1.00 9.22 C ATOM 1118 O VAL A 70 -7.567 2.050 3.438 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.379 2.351 6.211 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.381 3.293 6.826 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.405 1.841 7.318 1.00 8.54 C ATOM 0 H VAL A 70 -5.698 0.953 4.097 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.635 0.619 6.369 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.815 2.875 5.440 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.858 4.138 7.275 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.061 3.655 6.055 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -7.950 2.769 7.594 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -4.889 2.689 7.768 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.971 1.312 8.085 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.674 1.164 6.876 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.322 1.456 4.716 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.277 1.707 3.626 1.00 16.06 C ATOM 1133 C LEU A 71 -11.254 2.784 3.838 1.00 18.09 C ATOM 1134 O LEU A 71 -11.961 2.842 4.863 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.924 0.400 3.096 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.931 -0.611 2.510 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.815 -1.817 2.039 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.167 -0.083 1.280 1.00 19.57 C ATOM 0 H LEU A 71 -9.734 1.194 5.612 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.648 2.114 2.835 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.469 -0.076 3.911 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.656 0.657 2.330 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.180 -0.855 3.262 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.178 -2.588 1.605 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.353 -2.229 2.893 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.530 -1.474 1.291 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.483 -0.851 0.919 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.876 0.170 0.492 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.600 0.806 1.558 1.00 19.57 H new