USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 136:sc= 0.764 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.671 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.0642 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.398 K(o=0.46,f=-3.1!) USER MOD Set 3.1: A 7 THR OG1 : rot 142:sc= 1.44 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.08 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 164:sc= 1.27 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 131:sc= -0.0102 USER MOD Single : A 1 MET CE :methyl 178:sc= -0.266 (180deg=-0.27) USER MOD Single : A 1 MET N :NH3+ -167:sc= 1.29 (180deg=1.15) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 0.898 (180deg=0.396) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -142:sc= 1.22 (180deg=0.475) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0451 K(o=-0.045,f=-1.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.14) USER MOD Single : A 41 GLN : amide:sc= 0.096 K(o=0.096,f=-3.4!) 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=-0.0059) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.337 USER MOD Single : A 60 ASN : amide:sc= -0.0174 K(o=-0.017,f=-0.83) 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 112:sc= 1.3 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0881 X(o=-0.088,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.148 -7.010 -5.484 1.00 9.67 N ATOM 2 CA MET A 1 10.991 -6.737 -4.046 1.00 10.38 C ATOM 3 C MET A 1 9.739 -7.298 -3.524 1.00 9.62 C ATOM 4 O MET A 1 8.706 -6.962 -4.106 1.00 9.62 O ATOM 5 CB MET A 1 11.165 -5.226 -3.750 1.00 13.77 C ATOM 6 CG MET A 1 10.999 -4.765 -2.283 1.00 16.29 C ATOM 7 SD MET A 1 11.813 -3.186 -1.933 1.00 17.17 S ATOM 8 CE MET A 1 10.351 -2.086 -1.772 1.00 16.11 C ATOM 0 H1 MET A 1 12.125 -6.801 -5.772 1.00 9.67 H new ATOM 0 H2 MET A 1 10.939 -8.011 -5.672 1.00 9.67 H new ATOM 0 H3 MET A 1 10.492 -6.411 -6.025 1.00 9.67 H new ATOM 0 HA MET A 1 11.787 -7.249 -3.506 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.158 -4.929 -4.086 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.446 -4.678 -4.359 1.00 13.77 H new ATOM 0 HG2 MET A 1 9.937 -4.677 -2.055 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.405 -5.530 -1.621 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.680 -1.078 -1.520 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.806 -2.064 -2.716 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.698 -2.462 -0.985 1.00 16.11 H new ATOM 20 N GLN A 2 9.767 -8.123 -2.412 1.00 9.27 N ATOM 21 CA GLN A 2 8.606 -8.640 -1.652 1.00 9.07 C ATOM 22 C GLN A 2 8.307 -7.640 -0.543 1.00 8.72 C ATOM 23 O GLN A 2 9.197 -7.240 0.211 1.00 8.22 O ATOM 24 CB GLN A 2 8.734 -10.012 -1.083 1.00 14.46 C ATOM 25 CG GLN A 2 9.077 -11.170 -2.054 1.00 17.01 C ATOM 26 CD GLN A 2 7.902 -11.671 -2.838 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.534 -11.005 -3.834 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.313 -12.824 -2.538 1.00 19.49 N ATOM 0 H GLN A 2 10.651 -8.448 -2.020 1.00 9.27 H new ATOM 0 HA GLN A 2 7.794 -8.743 -2.372 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.503 -9.984 -0.311 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.795 -10.258 -0.588 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.848 -10.834 -2.748 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.500 -11.997 -1.483 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.621 -13.358 -1.725 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.553 -13.175 -3.121 1.00 19.49 H new ATOM 37 N ILE A 3 7.005 -7.281 -0.381 1.00 5.87 N ATOM 38 CA ILE A 3 6.448 -6.595 0.776 1.00 5.07 C ATOM 39 C ILE A 3 5.172 -7.292 1.209 1.00 4.01 C ATOM 40 O ILE A 3 4.579 -8.003 0.390 1.00 4.61 O ATOM 41 CB ILE A 3 6.206 -5.112 0.567 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.259 -4.847 -0.602 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.620 -4.478 0.391 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.007 -3.382 -0.751 1.00 10.83 C ATOM 0 H ILE A 3 6.301 -7.478 -1.092 1.00 5.87 H new ATOM 0 HA ILE A 3 7.200 -6.652 1.563 1.00 5.07 H new ATOM 0 HB ILE A 3 5.695 -4.657 1.415 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.688 -5.243 -1.522 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.316 -5.369 -0.439 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.520 -3.404 0.235 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.215 -4.661 1.286 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.115 -4.925 -0.471 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.330 -3.213 -1.589 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.557 -2.995 0.163 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.950 -2.868 -0.937 1.00 10.83 H new ATOM 56 N PHE A 4 4.681 -7.125 2.469 1.00 4.55 N ATOM 57 CA PHE A 4 3.559 -7.754 3.063 1.00 4.68 C ATOM 58 C PHE A 4 2.577 -6.582 3.434 1.00 5.30 C ATOM 59 O PHE A 4 3.067 -5.542 3.780 1.00 5.58 O ATOM 60 CB PHE A 4 3.959 -8.578 4.342 1.00 4.83 C ATOM 61 CG PHE A 4 5.279 -9.331 4.134 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.383 -10.205 3.062 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.322 -9.322 5.090 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.510 -11.057 2.910 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.451 -10.115 4.890 1.00 10.61 C ATOM 66 CZ PHE A 4 7.582 -10.902 3.760 1.00 8.90 C ATOM 0 H PHE A 4 5.131 -6.480 3.119 1.00 4.55 H new ATOM 0 HA PHE A 4 3.103 -8.473 2.382 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.053 -7.906 5.195 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.167 -9.288 4.581 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.591 -10.239 2.328 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.244 -8.703 5.972 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.525 -11.814 2.140 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.237 -10.115 5.630 1.00 10.61 H new ATOM 0 HZ PHE A 4 8.520 -11.392 3.546 1.00 8.90 H new ATOM 76 N VAL A 5 1.285 -6.747 3.178 1.00 4.44 N ATOM 77 CA VAL A 5 0.234 -5.735 3.357 1.00 3.87 C ATOM 78 C VAL A 5 -0.927 -6.319 4.172 1.00 4.93 C ATOM 79 O VAL A 5 -1.561 -7.317 3.768 1.00 6.84 O ATOM 80 CB VAL A 5 -0.165 -5.309 1.939 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.325 -4.335 2.094 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.990 -4.698 1.221 1.00 9.13 C ATOM 0 H VAL A 5 0.917 -7.630 2.823 1.00 4.44 H new ATOM 0 HA VAL A 5 0.566 -4.865 3.923 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.468 -6.164 1.335 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.651 -3.998 1.110 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.153 -4.832 2.600 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.003 -3.477 2.683 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.681 -4.405 0.218 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.334 -3.819 1.766 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.801 -5.423 1.153 1.00 9.13 H new ATOM 92 N LYS A 6 -1.211 -5.720 5.306 1.00 6.04 N ATOM 93 CA LYS A 6 -2.251 -6.092 6.224 1.00 6.12 C ATOM 94 C LYS A 6 -3.530 -5.240 6.425 1.00 6.57 C ATOM 95 O LYS A 6 -3.468 -4.140 6.975 1.00 5.76 O ATOM 96 CB LYS A 6 -1.602 -6.259 7.572 1.00 7.45 C ATOM 97 CG LYS A 6 -0.609 -7.413 7.718 1.00 11.12 C ATOM 98 CD LYS A 6 -0.105 -7.399 9.132 1.00 14.54 C ATOM 99 CE LYS A 6 0.911 -8.531 9.409 1.00 18.84 C ATOM 100 NZ LYS A 6 0.295 -9.879 9.507 1.00 20.55 N ATOM 0 H LYS A 6 -0.684 -4.908 5.628 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.668 -6.973 5.737 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.085 -5.332 7.818 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.389 -6.391 8.315 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.091 -8.364 7.492 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.217 -7.299 7.016 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.363 -6.436 9.338 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.948 -7.496 9.816 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.657 -8.540 8.614 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.438 -8.314 10.338 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.034 -10.606 9.421 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.182 -9.977 10.426 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.399 -10.000 8.742 1.00 20.55 H new ATOM 114 N THR A 7 -4.706 -5.835 6.006 1.00 7.41 N ATOM 115 CA THR A 7 -6.071 -5.307 6.131 1.00 7.48 C ATOM 116 C THR A 7 -6.536 -5.182 7.566 1.00 8.75 C ATOM 117 O THR A 7 -6.100 -5.895 8.503 1.00 8.58 O ATOM 118 CB THR A 7 -7.303 -6.047 5.425 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.544 -7.308 5.917 1.00 11.78 O ATOM 120 CG2 THR A 7 -7.020 -6.217 3.959 1.00 9.17 C ATOM 0 H THR A 7 -4.697 -6.747 5.549 1.00 7.41 H new ATOM 0 HA THR A 7 -5.885 -4.374 5.598 1.00 7.48 H new ATOM 0 HB THR A 7 -8.171 -5.417 5.621 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.511 -7.465 5.956 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.861 -6.721 3.482 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.876 -5.239 3.500 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.118 -6.815 3.830 1.00 9.17 H new ATOM 128 N LEU A 8 -7.494 -4.284 7.823 1.00 9.84 N ATOM 129 CA LEU A 8 -8.210 -4.166 9.076 1.00 14.15 C ATOM 130 C LEU A 8 -8.973 -5.446 9.444 1.00 17.37 C ATOM 131 O LEU A 8 -9.304 -5.654 10.590 1.00 17.01 O ATOM 132 CB LEU A 8 -9.193 -2.985 9.048 1.00 16.63 C ATOM 133 CG LEU A 8 -8.459 -1.627 9.122 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.353 -0.498 8.643 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.059 -1.304 10.602 1.00 18.59 C ATOM 0 H LEU A 8 -7.795 -3.598 7.130 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.450 -3.992 9.838 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.787 -3.028 8.135 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.887 -3.069 9.884 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.576 -1.705 8.488 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.812 0.446 8.706 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.647 -0.680 7.609 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.243 -0.448 9.270 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.543 -0.345 10.638 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.956 -1.257 11.219 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.399 -2.085 10.979 1.00 18.59 H new ATOM 147 N THR A 9 -9.312 -6.260 8.467 1.00 18.33 N ATOM 148 CA THR A 9 -10.154 -7.449 8.613 1.00 19.24 C ATOM 149 C THR A 9 -9.385 -8.718 8.684 1.00 19.48 C ATOM 150 O THR A 9 -9.906 -9.774 8.387 1.00 23.14 O ATOM 151 CB THR A 9 -11.118 -7.545 7.323 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.278 -7.346 6.162 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.037 -6.310 7.421 1.00 19.70 C ATOM 0 H THR A 9 -9.001 -6.114 7.507 1.00 18.33 H new ATOM 0 HA THR A 9 -10.699 -7.337 9.550 1.00 19.24 H new ATOM 0 HB THR A 9 -11.667 -8.485 7.266 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.824 -7.398 5.350 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.726 -6.301 6.576 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.604 -6.351 8.351 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.432 -5.404 7.405 1.00 19.70 H new ATOM 161 N GLY A 10 -8.149 -8.651 9.078 1.00 19.43 N ATOM 162 CA GLY A 10 -7.282 -9.782 9.462 1.00 18.74 C ATOM 163 C GLY A 10 -6.555 -10.448 8.306 1.00 17.62 C ATOM 164 O GLY A 10 -5.849 -11.448 8.515 1.00 19.74 O ATOM 0 H GLY A 10 -7.665 -7.756 9.153 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.544 -9.428 10.181 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.889 -10.531 9.971 1.00 18.74 H new ATOM 168 N LYS A 11 -6.714 -10.005 7.017 1.00 13.56 N ATOM 169 CA LYS A 11 -5.916 -10.547 5.910 1.00 11.91 C ATOM 170 C LYS A 11 -4.582 -9.862 5.763 1.00 10.18 C ATOM 171 O LYS A 11 -4.493 -8.667 5.817 1.00 9.10 O ATOM 172 CB LYS A 11 -6.708 -10.421 4.544 1.00 13.43 C ATOM 173 CG LYS A 11 -6.107 -11.056 3.345 1.00 16.69 C ATOM 174 CD LYS A 11 -7.070 -10.887 2.163 1.00 17.92 C ATOM 175 CE LYS A 11 -6.916 -11.933 1.082 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.146 -12.238 0.325 1.00 21.93 N ATOM 0 H LYS A 11 -7.382 -9.285 6.741 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.733 -11.595 6.149 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.700 -10.848 4.689 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.845 -9.361 4.331 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.145 -10.597 3.117 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.920 -12.113 3.531 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.094 -10.915 2.536 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.918 -9.901 1.723 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.150 -11.599 0.382 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.551 -12.853 1.538 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.901 -12.760 -0.540 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.780 -12.818 0.911 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.626 -11.351 0.070 1.00 21.93 H new ATOM 190 N THR A 12 -3.551 -10.700 5.531 1.00 9.63 N ATOM 191 CA THR A 12 -2.198 -10.271 5.095 1.00 9.85 C ATOM 192 C THR A 12 -2.029 -10.849 3.623 1.00 11.66 C ATOM 193 O THR A 12 -2.157 -12.046 3.358 1.00 12.33 O ATOM 194 CB THR A 12 -1.039 -10.887 5.987 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.145 -10.581 7.381 1.00 10.91 O ATOM 196 CG2 THR A 12 0.361 -10.353 5.532 1.00 9.63 C ATOM 0 H THR A 12 -3.632 -11.711 5.642 1.00 9.63 H new ATOM 0 HA THR A 12 -2.120 -9.186 5.168 1.00 9.85 H new ATOM 0 HB THR A 12 -1.141 -11.963 5.848 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.046 -11.403 7.905 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.138 -10.790 6.159 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.535 -10.629 4.492 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.385 -9.267 5.628 1.00 9.63 H new ATOM 204 N ILE A 13 -1.798 -10.032 2.646 1.00 10.42 N ATOM 205 CA ILE A 13 -1.405 -10.406 1.307 1.00 11.84 C ATOM 206 C ILE A 13 0.027 -10.055 1.170 1.00 10.55 C ATOM 207 O ILE A 13 0.580 -9.369 2.060 1.00 11.92 O ATOM 208 CB ILE A 13 -2.238 -9.781 0.194 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.460 -8.300 0.380 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.586 -10.456 0.303 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.064 -7.616 -0.790 1.00 16.46 C ATOM 0 H ILE A 13 -1.881 -9.022 2.759 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.580 -11.475 1.184 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.730 -9.910 -0.762 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.104 -8.148 1.246 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.504 -7.828 0.607 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.252 -10.064 -0.465 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.467 -11.531 0.166 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.012 -10.261 1.287 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.187 -6.556 -0.568 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.412 -7.732 -1.656 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.037 -8.057 -1.007 1.00 16.46 H new ATOM 223 N THR A 14 0.672 -10.609 0.178 1.00 9.39 N ATOM 224 CA THR A 14 2.108 -10.469 -0.126 1.00 9.63 C ATOM 225 C THR A 14 2.071 -10.002 -1.538 1.00 11.20 C ATOM 226 O THR A 14 1.291 -10.564 -2.366 1.00 11.63 O ATOM 227 CB THR A 14 2.931 -11.728 -0.097 1.00 10.38 C ATOM 228 OG1 THR A 14 3.002 -12.165 1.243 1.00 16.30 O ATOM 229 CG2 THR A 14 4.376 -11.521 -0.572 1.00 11.66 C ATOM 0 H THR A 14 0.196 -11.212 -0.493 1.00 9.39 H new ATOM 0 HA THR A 14 2.575 -9.830 0.623 1.00 9.63 H new ATOM 0 HB THR A 14 2.452 -12.442 -0.767 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.533 -12.987 1.291 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.913 -12.468 -0.526 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.373 -11.155 -1.599 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.869 -10.792 0.071 1.00 11.66 H new ATOM 237 N LEU A 15 2.950 -8.991 -1.872 1.00 8.29 N ATOM 238 CA LEU A 15 3.069 -8.381 -3.189 1.00 9.03 C ATOM 239 C LEU A 15 4.456 -8.366 -3.698 1.00 8.59 C ATOM 240 O LEU A 15 5.434 -8.165 -2.952 1.00 7.79 O ATOM 241 CB LEU A 15 2.548 -6.895 -3.100 1.00 11.08 C ATOM 242 CG LEU A 15 1.104 -6.583 -2.518 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.904 -5.063 -2.301 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.087 -7.170 -3.369 1.00 15.27 C ATOM 0 H LEU A 15 3.597 -8.590 -1.193 1.00 8.29 H new ATOM 0 HA LEU A 15 2.477 -8.980 -3.881 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.265 -6.338 -2.498 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.586 -6.479 -4.107 1.00 11.08 H new ATOM 0 HG LEU A 15 1.073 -7.100 -1.559 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.094 -4.881 -1.902 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.650 -4.695 -1.596 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.015 -4.542 -3.252 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.034 -6.909 -2.898 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.055 -6.753 -4.376 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.004 -8.255 -3.423 1.00 15.27 H new ATOM 256 N GLU A 16 4.646 -8.428 -5.030 1.00 11.04 N ATOM 257 CA GLU A 16 5.906 -8.223 -5.736 1.00 11.50 C ATOM 258 C GLU A 16 5.844 -6.843 -6.378 1.00 10.13 C ATOM 259 O GLU A 16 5.006 -6.485 -7.204 1.00 9.83 O ATOM 260 CB GLU A 16 6.035 -9.304 -6.816 1.00 17.22 C ATOM 261 CG GLU A 16 7.286 -9.169 -7.679 1.00 23.33 C ATOM 262 CD GLU A 16 7.720 -10.299 -8.542 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.290 -10.379 -9.713 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.561 -11.060 -8.025 1.00 28.90 O ATOM 0 H GLU A 16 3.877 -8.634 -5.668 1.00 11.04 H new ATOM 0 HA GLU A 16 6.763 -8.286 -5.065 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.040 -10.283 -6.337 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.156 -9.268 -7.459 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.141 -8.304 -8.326 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.116 -8.933 -7.012 1.00 23.33 H new ATOM 271 N VAL A 17 6.823 -6.014 -5.923 1.00 8.99 N ATOM 272 CA VAL A 17 6.919 -4.648 -6.267 1.00 8.85 C ATOM 273 C VAL A 17 8.412 -4.354 -6.629 1.00 8.04 C ATOM 274 O VAL A 17 9.297 -5.231 -6.412 1.00 8.99 O ATOM 275 CB VAL A 17 6.509 -3.659 -5.080 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.051 -3.972 -4.817 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.422 -3.801 -3.807 1.00 10.54 C ATOM 0 H VAL A 17 7.564 -6.326 -5.295 1.00 8.99 H new ATOM 0 HA VAL A 17 6.230 -4.472 -7.093 1.00 8.85 H new ATOM 0 HB VAL A 17 6.653 -2.614 -5.354 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.682 -3.337 -4.012 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.470 -3.787 -5.721 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.950 -5.018 -4.529 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.089 -3.101 -3.040 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.355 -4.819 -3.423 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.456 -3.581 -4.074 1.00 10.54 H new ATOM 287 N GLU A 18 8.683 -3.159 -7.118 1.00 7.29 N ATOM 288 CA GLU A 18 10.006 -2.623 -7.132 1.00 7.08 C ATOM 289 C GLU A 18 10.069 -1.516 -6.055 1.00 6.45 C ATOM 290 O GLU A 18 9.041 -0.955 -5.713 1.00 5.28 O ATOM 291 CB GLU A 18 10.342 -1.894 -8.498 1.00 10.28 C ATOM 292 CG GLU A 18 10.587 -2.925 -9.587 1.00 12.65 C ATOM 293 CD GLU A 18 11.752 -3.884 -9.348 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.842 -3.366 -9.000 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.567 -5.118 -9.554 1.00 14.33 O ATOM 0 H GLU A 18 7.978 -2.539 -7.516 1.00 7.29 H new ATOM 0 HA GLU A 18 10.700 -3.448 -6.972 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.518 -1.239 -8.783 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.223 -1.264 -8.377 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.678 -3.513 -9.715 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.761 -2.399 -10.526 1.00 12.65 H new ATOM 302 N PRO A 19 11.174 -1.246 -5.434 1.00 7.24 N ATOM 303 CA PRO A 19 11.413 0.005 -4.596 1.00 7.07 C ATOM 304 C PRO A 19 11.118 1.294 -5.299 1.00 6.65 C ATOM 305 O PRO A 19 10.863 2.325 -4.677 1.00 6.37 O ATOM 306 CB PRO A 19 12.899 -0.123 -4.220 1.00 7.61 C ATOM 307 CG PRO A 19 13.507 -0.908 -5.324 1.00 8.16 C ATOM 308 CD PRO A 19 12.422 -1.940 -5.632 1.00 7.49 C ATOM 0 HA PRO A 19 10.738 0.052 -3.742 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.369 0.856 -4.127 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.022 -0.628 -3.262 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.732 -0.285 -6.189 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.441 -1.380 -5.020 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.509 -2.310 -6.654 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.501 -2.804 -4.972 1.00 7.49 H new ATOM 316 N SER A 20 11.180 1.308 -6.600 1.00 6.80 N ATOM 317 CA SER A 20 10.896 2.484 -7.473 1.00 6.28 C ATOM 318 C SER A 20 9.487 2.449 -7.909 1.00 8.45 C ATOM 319 O SER A 20 9.010 3.349 -8.617 1.00 7.26 O ATOM 320 CB SER A 20 11.745 2.538 -8.749 1.00 8.57 C ATOM 321 OG SER A 20 11.829 1.311 -9.431 1.00 11.13 O ATOM 0 H SER A 20 11.438 0.479 -7.135 1.00 6.80 H new ATOM 0 HA SER A 20 11.133 3.356 -6.864 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.326 3.288 -9.421 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.751 2.868 -8.490 1.00 8.57 H new ATOM 0 HG SER A 20 12.382 1.420 -10.233 1.00 11.13 H new ATOM 327 N ASP A 21 8.656 1.420 -7.647 1.00 7.50 N ATOM 328 CA ASP A 21 7.180 1.516 -7.806 1.00 7.70 C ATOM 329 C ASP A 21 6.583 2.581 -6.861 1.00 7.08 C ATOM 330 O ASP A 21 6.955 2.722 -5.679 1.00 8.11 O ATOM 331 CB ASP A 21 6.501 0.121 -7.653 1.00 11.00 C ATOM 332 CG ASP A 21 6.799 -0.888 -8.750 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.361 -0.415 -9.785 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.459 -2.060 -8.676 1.00 18.03 O ATOM 0 H ASP A 21 8.978 0.508 -7.323 1.00 7.50 H new ATOM 0 HA ASP A 21 6.969 1.851 -8.822 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.808 -0.308 -6.699 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.422 0.267 -7.604 1.00 11.00 H new ATOM 339 N THR A 22 5.588 3.396 -7.272 1.00 5.37 N ATOM 340 CA THR A 22 4.891 4.373 -6.385 1.00 6.01 C ATOM 341 C THR A 22 3.849 3.732 -5.470 1.00 8.01 C ATOM 342 O THR A 22 3.389 2.614 -5.645 1.00 8.11 O ATOM 343 CB THR A 22 4.267 5.581 -7.183 1.00 8.92 C ATOM 344 OG1 THR A 22 3.353 5.060 -8.133 1.00 10.22 O ATOM 345 CG2 THR A 22 5.382 6.326 -7.965 1.00 9.65 C ATOM 0 H THR A 22 5.239 3.401 -8.230 1.00 5.37 H new ATOM 0 HA THR A 22 5.676 4.769 -5.740 1.00 6.01 H new ATOM 0 HB THR A 22 3.778 6.263 -6.487 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.952 5.797 -8.640 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.946 7.160 -8.515 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.127 6.703 -7.265 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.857 5.639 -8.665 1.00 9.65 H new ATOM 353 N ILE A 23 3.378 4.545 -4.529 1.00 8.32 N ATOM 354 CA ILE A 23 2.286 4.221 -3.592 1.00 9.92 C ATOM 355 C ILE A 23 0.997 3.755 -4.327 1.00 10.01 C ATOM 356 O ILE A 23 0.408 2.722 -3.924 1.00 8.71 O ATOM 357 CB ILE A 23 2.053 5.304 -2.535 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.399 5.693 -1.870 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.017 4.807 -1.496 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.118 4.570 -1.187 1.00 12.30 C ATOM 0 H ILE A 23 3.754 5.482 -4.386 1.00 8.32 H new ATOM 0 HA ILE A 23 2.617 3.357 -3.017 1.00 9.92 H new ATOM 0 HB ILE A 23 1.648 6.200 -3.006 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.055 6.114 -2.632 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.212 6.481 -1.141 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.854 5.581 -0.746 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.076 4.585 -1.998 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.391 3.905 -1.012 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.046 4.942 -0.754 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.488 4.161 -0.397 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.344 3.788 -1.912 1.00 12.30 H new ATOM 372 N GLU A 24 0.644 4.470 -5.401 1.00 9.54 N ATOM 373 CA GLU A 24 -0.363 4.295 -6.331 1.00 11.81 C ATOM 374 C GLU A 24 -0.169 3.037 -7.229 1.00 11.14 C ATOM 375 O GLU A 24 -1.157 2.360 -7.535 1.00 10.62 O ATOM 376 CB GLU A 24 -0.390 5.571 -7.197 1.00 19.24 C ATOM 377 CG GLU A 24 -1.655 5.739 -8.060 1.00 27.76 C ATOM 378 CD GLU A 24 -1.569 7.102 -8.742 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.671 7.275 -9.575 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.396 8.011 -8.493 1.00 36.51 O ATOM 0 H GLU A 24 1.177 5.309 -5.628 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.305 4.130 -5.807 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.295 6.439 -6.544 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.482 5.568 -7.852 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.721 4.943 -8.802 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.551 5.675 -7.443 1.00 27.76 H new ATOM 387 N ASN A 25 1.132 2.780 -7.604 1.00 9.43 N ATOM 388 CA ASN A 25 1.407 1.470 -8.191 1.00 10.96 C ATOM 389 C ASN A 25 1.222 0.308 -7.253 1.00 9.68 C ATOM 390 O ASN A 25 0.742 -0.751 -7.651 1.00 9.33 O ATOM 391 CB ASN A 25 2.882 1.370 -8.686 1.00 16.78 C ATOM 392 CG ASN A 25 3.238 2.335 -9.796 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.412 2.669 -9.851 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.335 2.761 -10.680 1.00 24.70 N ATOM 0 H ASN A 25 1.925 3.415 -7.512 1.00 9.43 H new ATOM 0 HA ASN A 25 0.680 1.401 -9.001 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.548 1.546 -7.841 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.068 0.353 -9.032 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.616 3.387 -11.434 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.363 2.460 -10.602 1.00 24.70 H new ATOM 401 N VAL A 26 1.571 0.474 -5.922 1.00 6.52 N ATOM 402 CA VAL A 26 1.272 -0.624 -4.962 1.00 5.53 C ATOM 403 C VAL A 26 -0.207 -0.895 -4.855 1.00 4.42 C ATOM 404 O VAL A 26 -0.620 -2.032 -4.686 1.00 3.40 O ATOM 405 CB VAL A 26 1.992 -0.346 -3.609 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.615 -1.372 -2.565 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.507 -0.461 -3.877 1.00 8.12 C ATOM 0 H VAL A 26 2.025 1.298 -5.527 1.00 6.52 H new ATOM 0 HA VAL A 26 1.678 -1.563 -5.338 1.00 5.53 H new ATOM 0 HB VAL A 26 1.706 0.638 -3.238 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.134 -1.150 -1.633 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.538 -1.342 -2.397 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.900 -2.365 -2.911 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.055 -0.273 -2.954 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.738 -1.463 -4.239 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.800 0.272 -4.628 1.00 8.12 H new ATOM 417 N LYS A 27 -1.035 0.153 -4.773 1.00 2.64 N ATOM 418 CA LYS A 27 -2.476 0.068 -4.697 1.00 4.14 C ATOM 419 C LYS A 27 -3.050 -0.670 -5.903 1.00 5.58 C ATOM 420 O LYS A 27 -3.978 -1.459 -5.804 1.00 4.11 O ATOM 421 CB LYS A 27 -3.071 1.458 -4.684 1.00 3.97 C ATOM 422 CG LYS A 27 -2.857 2.283 -3.394 1.00 7.45 C ATOM 423 CD LYS A 27 -3.804 3.481 -3.589 1.00 9.02 C ATOM 424 CE LYS A 27 -3.535 4.701 -2.698 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.688 5.556 -2.954 1.00 15.47 N ATOM 0 H LYS A 27 -0.695 1.114 -4.758 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.725 -0.473 -3.784 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.653 2.017 -5.521 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.143 1.373 -4.862 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.109 1.710 -2.502 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.820 2.601 -3.286 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.749 3.797 -4.631 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.825 3.144 -3.412 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.464 4.424 -1.646 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.600 5.195 -2.962 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.385 6.551 -2.976 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.112 5.303 -3.869 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.391 5.426 -2.199 1.00 15.47 H new ATOM 439 N ALA A 28 -2.522 -0.409 -7.109 1.00 6.61 N ATOM 440 CA ALA A 28 -2.818 -1.123 -8.358 1.00 7.74 C ATOM 441 C ALA A 28 -2.376 -2.567 -8.413 1.00 9.17 C ATOM 442 O ALA A 28 -2.959 -3.433 -9.026 1.00 11.45 O ATOM 443 CB ALA A 28 -2.150 -0.358 -9.552 1.00 7.68 C ATOM 0 H ALA A 28 -1.845 0.342 -7.245 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.906 -1.145 -8.420 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.364 -0.881 -10.484 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.549 0.655 -9.604 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.072 -0.316 -9.399 1.00 7.68 H new ATOM 449 N LYS A 29 -1.302 -2.820 -7.679 1.00 8.96 N ATOM 450 CA LYS A 29 -0.896 -4.231 -7.439 1.00 7.90 C ATOM 451 C LYS A 29 -1.927 -4.988 -6.592 1.00 6.92 C ATOM 452 O LYS A 29 -2.321 -6.122 -6.878 1.00 6.87 O ATOM 453 CB LYS A 29 0.589 -4.326 -6.873 1.00 10.28 C ATOM 454 CG LYS A 29 1.273 -5.678 -7.138 1.00 14.94 C ATOM 455 CD LYS A 29 1.514 -6.071 -8.644 1.00 19.69 C ATOM 456 CE LYS A 29 2.419 -5.080 -9.333 1.00 22.63 C ATOM 457 NZ LYS A 29 2.463 -5.464 -10.702 1.00 24.98 N ATOM 0 H LYS A 29 -0.707 -2.113 -7.248 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.880 -4.741 -8.402 1.00 7.90 H new ATOM 0 HB2 LYS A 29 1.189 -3.533 -7.320 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.570 -4.144 -5.798 1.00 10.28 H new ATOM 0 HG2 LYS A 29 2.237 -5.676 -6.629 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.670 -6.460 -6.676 1.00 14.94 H new ATOM 0 HD2 LYS A 29 1.955 -7.066 -8.696 1.00 19.69 H new ATOM 0 HD3 LYS A 29 0.559 -6.118 -9.167 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.037 -4.065 -9.226 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.416 -5.093 -8.893 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.078 -4.809 -11.227 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.840 -6.430 -10.780 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 1.504 -5.434 -11.102 1.00 24.98 H new ATOM 471 N ILE A 30 -2.488 -4.262 -5.548 1.00 4.57 N ATOM 472 CA ILE A 30 -3.524 -4.785 -4.610 1.00 5.58 C ATOM 473 C ILE A 30 -4.864 -4.909 -5.349 1.00 7.26 C ATOM 474 O ILE A 30 -5.587 -5.892 -5.200 1.00 9.46 O ATOM 475 CB ILE A 30 -3.780 -4.006 -3.308 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.476 -4.007 -2.465 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.951 -4.620 -2.540 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.282 -2.802 -1.464 1.00 2.00 C ATOM 0 H ILE A 30 -2.222 -3.298 -5.349 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.101 -5.736 -4.287 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.053 -2.975 -3.534 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.440 -4.934 -1.893 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.628 -4.022 -3.149 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.119 -4.057 -1.622 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.849 -4.585 -3.157 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.721 -5.657 -2.293 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.336 -2.917 -0.935 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.275 -1.865 -2.020 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.101 -2.791 -0.744 1.00 2.00 H new ATOM 490 N GLN A 31 -5.245 -3.948 -6.197 1.00 7.06 N ATOM 491 CA GLN A 31 -6.481 -3.949 -6.989 1.00 8.67 C ATOM 492 C GLN A 31 -6.550 -5.217 -7.846 1.00 10.90 C ATOM 493 O GLN A 31 -7.653 -5.819 -7.945 1.00 9.63 O ATOM 494 CB GLN A 31 -6.551 -2.780 -8.000 1.00 9.12 C ATOM 495 CG GLN A 31 -7.870 -2.716 -8.844 1.00 10.76 C ATOM 496 CD GLN A 31 -7.766 -1.570 -9.814 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.669 -1.152 -10.224 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.961 -1.110 -10.299 1.00 14.76 N ATOM 0 H GLN A 31 -4.679 -3.115 -6.357 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.291 -3.872 -6.264 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.439 -1.842 -7.457 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.704 -2.857 -8.682 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.021 -3.653 -9.380 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.731 -2.581 -8.190 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.837 -1.482 -9.933 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.975 -0.395 -11.027 1.00 14.76 H new ATOM 507 N ASP A 32 -5.399 -5.597 -8.445 1.00 10.93 N ATOM 508 CA ASP A 32 -5.237 -6.832 -9.154 1.00 14.01 C ATOM 509 C ASP A 32 -5.409 -8.133 -8.363 1.00 14.04 C ATOM 510 O ASP A 32 -6.012 -9.133 -8.805 1.00 13.39 O ATOM 511 CB ASP A 32 -3.898 -6.820 -9.921 1.00 18.01 C ATOM 512 CG ASP A 32 -3.905 -7.931 -11.000 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.446 -7.729 -12.097 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.223 -8.961 -10.782 1.00 25.17 O ATOM 0 H ASP A 32 -4.555 -5.024 -8.434 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.088 -6.859 -9.835 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.744 -5.847 -10.388 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.070 -6.976 -9.229 1.00 18.01 H new ATOM 519 N LYS A 33 -4.888 -8.114 -7.076 1.00 14.22 N ATOM 520 CA LYS A 33 -5.221 -9.207 -6.153 1.00 14.00 C ATOM 521 C LYS A 33 -6.706 -9.223 -5.689 1.00 12.37 C ATOM 522 O LYS A 33 -7.410 -10.240 -5.818 1.00 12.17 O ATOM 523 CB LYS A 33 -4.449 -8.944 -4.873 1.00 18.62 C ATOM 524 CG LYS A 33 -2.974 -9.104 -4.973 1.00 24.00 C ATOM 525 CD LYS A 33 -2.433 -10.508 -5.216 1.00 27.61 C ATOM 526 CE LYS A 33 -0.899 -10.780 -4.974 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.524 -12.165 -5.298 1.00 30.06 N ATOM 0 H LYS A 33 -4.277 -7.390 -6.699 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.997 -10.135 -6.678 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.665 -7.929 -4.540 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.819 -9.618 -4.101 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.620 -8.463 -5.780 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.532 -8.728 -4.050 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.994 -11.193 -4.581 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.657 -10.775 -6.249 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.309 -10.094 -5.582 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.655 -10.573 -3.932 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.493 -12.299 -5.124 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.067 -12.821 -4.700 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.732 -12.356 -6.299 1.00 30.06 H new ATOM 541 N GLU A 34 -7.251 -8.136 -5.048 1.00 10.11 N ATOM 542 CA GLU A 34 -8.471 -8.202 -4.263 1.00 10.07 C ATOM 543 C GLU A 34 -9.807 -7.618 -4.800 1.00 9.32 C ATOM 544 O GLU A 34 -10.822 -7.799 -4.184 1.00 11.61 O ATOM 545 CB GLU A 34 -8.119 -7.567 -2.942 1.00 14.77 C ATOM 546 CG GLU A 34 -7.224 -8.466 -2.042 1.00 18.75 C ATOM 547 CD GLU A 34 -7.941 -9.759 -1.704 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.833 -9.748 -0.809 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.648 -10.854 -2.288 1.00 21.95 O ATOM 0 H GLU A 34 -6.835 -7.205 -5.079 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.739 -9.258 -4.251 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.604 -6.624 -3.127 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.038 -7.329 -2.406 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.287 -8.686 -2.554 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.969 -7.934 -1.125 1.00 18.75 H new ATOM 556 N GLY A 35 -9.793 -6.838 -5.924 1.00 7.22 N ATOM 557 CA GLY A 35 -10.931 -6.123 -6.438 1.00 6.29 C ATOM 558 C GLY A 35 -11.304 -4.806 -5.716 1.00 6.93 C ATOM 559 O GLY A 35 -12.267 -4.142 -6.065 1.00 7.41 O ATOM 0 H GLY A 35 -8.953 -6.707 -6.488 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.745 -5.896 -7.488 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.795 -6.787 -6.404 1.00 6.29 H new ATOM 563 N ILE A 36 -10.367 -4.356 -4.868 1.00 5.86 N ATOM 564 CA ILE A 36 -10.543 -3.075 -4.242 1.00 6.07 C ATOM 565 C ILE A 36 -10.202 -1.923 -5.181 1.00 6.36 C ATOM 566 O ILE A 36 -9.076 -1.963 -5.676 1.00 6.18 O ATOM 567 CB ILE A 36 -9.693 -2.962 -2.940 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.881 -4.154 -1.895 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.066 -1.620 -2.190 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.776 -4.254 -0.890 1.00 9.49 C ATOM 0 H ILE A 36 -9.513 -4.854 -4.618 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.600 -2.999 -3.985 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.657 -2.996 -3.278 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.827 -4.019 -1.370 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.951 -5.095 -2.440 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.474 -1.536 -1.278 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.855 -0.770 -2.839 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.126 -1.628 -1.935 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.973 -5.086 -0.214 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.830 -4.421 -1.405 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.719 -3.328 -0.318 1.00 9.49 H new ATOM 582 N PRO A 37 -11.063 -0.950 -5.446 1.00 8.65 N ATOM 583 CA PRO A 37 -10.637 0.289 -6.137 1.00 9.18 C ATOM 584 C PRO A 37 -9.427 1.060 -5.530 1.00 9.85 C ATOM 585 O PRO A 37 -9.559 1.436 -4.379 1.00 8.51 O ATOM 586 CB PRO A 37 -11.960 1.150 -6.126 1.00 11.42 C ATOM 587 CG PRO A 37 -13.075 0.145 -6.026 1.00 9.27 C ATOM 588 CD PRO A 37 -12.559 -0.976 -5.129 1.00 8.33 C ATOM 0 HA PRO A 37 -10.238 0.056 -7.124 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.974 1.841 -5.283 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.049 1.750 -7.032 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.972 0.599 -5.604 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.344 -0.237 -7.011 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.759 -0.784 -4.075 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -13.013 -1.937 -5.370 1.00 8.33 H new ATOM 596 N PRO A 38 -8.319 1.435 -6.167 1.00 8.71 N ATOM 597 CA PRO A 38 -7.282 2.256 -5.581 1.00 9.08 C ATOM 598 C PRO A 38 -7.703 3.642 -5.064 1.00 9.28 C ATOM 599 O PRO A 38 -6.970 4.049 -4.162 1.00 6.50 O ATOM 600 CB PRO A 38 -6.260 2.404 -6.678 1.00 10.31 C ATOM 601 CG PRO A 38 -6.287 1.067 -7.357 1.00 10.81 C ATOM 602 CD PRO A 38 -7.814 0.816 -7.351 1.00 12.00 C ATOM 0 HA PRO A 38 -6.927 1.765 -4.675 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.521 3.209 -7.365 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.272 2.633 -6.279 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.871 1.099 -8.364 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.734 0.305 -6.807 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.281 1.240 -8.240 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.032 -0.252 -7.354 1.00 12.00 H new ATOM 610 N ASP A 39 -8.866 4.187 -5.485 1.00 11.20 N ATOM 611 CA ASP A 39 -9.407 5.436 -4.900 1.00 14.96 C ATOM 612 C ASP A 39 -9.914 5.132 -3.486 1.00 13.99 C ATOM 613 O ASP A 39 -9.956 6.018 -2.603 1.00 13.75 O ATOM 614 CB ASP A 39 -10.542 5.975 -5.777 1.00 24.16 C ATOM 615 CG ASP A 39 -10.924 7.321 -5.310 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.048 8.212 -5.484 1.00 34.22 O ATOM 617 OD2 ASP A 39 -12.069 7.550 -4.798 1.00 35.55 O ATOM 0 H ASP A 39 -9.445 3.786 -6.222 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.628 6.197 -4.851 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.224 6.016 -6.819 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.401 5.305 -5.732 1.00 24.16 H new ATOM 622 N GLN A 40 -10.276 3.888 -3.182 1.00 11.60 N ATOM 623 CA GLN A 40 -10.793 3.612 -1.845 1.00 10.76 C ATOM 624 C GLN A 40 -9.667 3.142 -0.887 1.00 8.01 C ATOM 625 O GLN A 40 -9.896 2.943 0.310 1.00 8.96 O ATOM 626 CB GLN A 40 -11.855 2.456 -1.961 1.00 11.14 C ATOM 627 CG GLN A 40 -12.866 2.486 -0.802 1.00 14.85 C ATOM 628 CD GLN A 40 -13.737 1.186 -0.863 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.744 0.391 0.087 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.358 1.035 -2.048 1.00 18.16 N ATOM 0 H GLN A 40 -10.225 3.087 -3.812 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.230 4.527 -1.444 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.386 2.545 -2.908 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.344 1.493 -1.972 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.344 2.547 0.153 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.500 3.370 -0.876 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.281 1.761 -2.760 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.905 0.195 -2.233 1.00 18.16 H new ATOM 639 N GLN A 41 -8.469 2.921 -1.411 1.00 6.52 N ATOM 640 CA GLN A 41 -7.314 2.392 -0.714 1.00 3.87 C ATOM 641 C GLN A 41 -6.498 3.537 -0.121 1.00 4.79 C ATOM 642 O GLN A 41 -6.122 4.424 -0.894 1.00 6.34 O ATOM 643 CB GLN A 41 -6.473 1.427 -1.649 1.00 4.20 C ATOM 644 CG GLN A 41 -7.189 0.241 -2.196 1.00 3.20 C ATOM 645 CD GLN A 41 -6.251 -0.687 -2.908 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.090 -0.715 -2.530 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.703 -1.406 -3.941 1.00 7.13 N ATOM 0 H GLN A 41 -8.270 3.119 -2.392 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.642 1.772 0.121 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.091 2.011 -2.486 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.609 1.074 -1.086 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.684 -0.293 -1.385 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.968 0.570 -2.883 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.684 -1.345 -4.215 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.067 -2.016 -4.455 1.00 7.13 H new ATOM 656 N ARG A 42 -6.293 3.469 1.204 1.00 5.73 N ATOM 657 CA ARG A 42 -5.304 4.288 1.860 1.00 6.97 C ATOM 658 C ARG A 42 -4.213 3.364 2.455 1.00 7.15 C ATOM 659 O ARG A 42 -4.527 2.362 3.054 1.00 7.33 O ATOM 660 CB ARG A 42 -5.783 5.168 3.040 1.00 13.23 C ATOM 661 CG ARG A 42 -6.203 6.575 2.573 1.00 21.27 C ATOM 662 CD ARG A 42 -6.815 7.394 3.665 1.00 26.14 C ATOM 663 NE ARG A 42 -6.966 8.793 3.248 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.352 9.691 4.141 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.772 9.354 5.339 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.242 10.985 3.855 1.00 36.39 N ATOM 0 H ARG A 42 -6.808 2.849 1.829 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.973 4.966 1.073 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.624 4.684 3.536 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.984 5.253 3.777 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.331 7.097 2.180 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.915 6.482 1.753 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.789 6.983 3.932 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.192 7.342 4.558 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.776 9.069 2.285 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.809 8.371 5.609 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.061 10.075 6.000 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.863 11.278 2.954 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.537 11.685 4.536 1.00 36.39 H new ATOM 680 N LEU A 43 -2.939 3.688 2.214 1.00 4.65 N ATOM 681 CA LEU A 43 -1.768 2.893 2.675 1.00 3.51 C ATOM 682 C LEU A 43 -1.103 3.492 3.880 1.00 5.56 C ATOM 683 O LEU A 43 -0.978 4.688 3.971 1.00 4.19 O ATOM 684 CB LEU A 43 -0.842 2.579 1.401 1.00 3.74 C ATOM 685 CG LEU A 43 -1.475 1.687 0.354 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.485 1.324 -0.712 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.089 0.369 0.891 1.00 6.41 C ATOM 0 H LEU A 43 -2.675 4.520 1.686 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.074 1.924 3.069 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.563 3.523 0.932 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.079 2.110 1.747 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.293 2.291 -0.038 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.965 0.683 -1.451 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.124 2.231 -1.197 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.355 0.794 -0.263 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.516 -0.197 0.063 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.312 -0.224 1.374 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.871 0.600 1.614 1.00 6.41 H new ATOM 699 N ILE A 44 -0.643 2.647 4.852 1.00 4.58 N ATOM 700 CA ILE A 44 -0.143 3.106 6.135 1.00 5.55 C ATOM 701 C ILE A 44 1.060 2.215 6.309 1.00 5.46 C ATOM 702 O ILE A 44 1.136 1.072 5.870 1.00 6.04 O ATOM 703 CB ILE A 44 -1.156 2.956 7.248 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.337 4.052 7.063 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.530 2.976 8.613 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.274 4.222 8.249 1.00 13.90 C ATOM 0 H ILE A 44 -0.619 1.633 4.743 1.00 4.58 H new ATOM 0 HA ILE A 44 0.086 4.171 6.169 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.606 1.966 7.174 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.880 5.017 6.844 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.931 3.775 6.192 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.306 2.865 9.371 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.182 2.155 8.699 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.011 3.923 8.762 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.023 4.978 8.015 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.769 3.274 8.460 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.702 4.535 9.122 1.00 13.90 H new ATOM 718 N PHE A 45 2.069 2.753 6.928 1.00 6.75 N ATOM 719 CA PHE A 45 3.276 2.128 7.411 1.00 4.70 C ATOM 720 C PHE A 45 3.779 2.851 8.597 1.00 6.34 C ATOM 721 O PHE A 45 3.848 4.089 8.659 1.00 5.45 O ATOM 722 CB PHE A 45 4.363 2.043 6.263 1.00 5.51 C ATOM 723 CG PHE A 45 5.639 1.434 6.642 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.594 0.078 7.114 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.844 2.162 6.658 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.860 -0.539 7.449 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.002 1.550 7.077 1.00 6.64 C ATOM 728 CZ PHE A 45 8.046 0.227 7.414 1.00 6.84 C ATOM 0 H PHE A 45 2.071 3.752 7.132 1.00 6.75 H new ATOM 0 HA PHE A 45 3.052 1.105 7.714 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.944 1.476 5.432 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.557 3.051 5.896 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.660 -0.456 7.214 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.859 3.195 6.343 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.897 -1.582 7.725 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.907 2.135 7.142 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.992 -0.235 7.655 1.00 6.84 H new ATOM 738 N ALA A 46 4.084 2.217 9.735 1.00 6.53 N ATOM 739 CA ALA A 46 4.407 2.745 11.062 1.00 7.15 C ATOM 740 C ALA A 46 3.486 3.874 11.583 1.00 9.00 C ATOM 741 O ALA A 46 3.882 4.950 12.016 1.00 11.15 O ATOM 742 CB ALA A 46 5.884 3.093 11.253 1.00 8.99 C ATOM 0 H ALA A 46 4.113 1.197 9.746 1.00 6.53 H new ATOM 0 HA ALA A 46 4.192 1.888 11.701 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.040 3.477 12.261 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.490 2.199 11.108 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.176 3.851 10.527 1.00 8.99 H new ATOM 748 N GLY A 47 2.145 3.643 11.461 1.00 9.35 N ATOM 749 CA GLY A 47 1.186 4.595 11.948 1.00 11.68 C ATOM 750 C GLY A 47 0.915 5.803 11.147 1.00 11.14 C ATOM 751 O GLY A 47 0.197 6.789 11.432 1.00 13.93 O ATOM 0 H GLY A 47 1.741 2.810 11.032 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.240 4.071 12.085 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.516 4.920 12.935 1.00 11.68 H new ATOM 755 N LYS A 48 1.475 5.821 9.912 1.00 10.47 N ATOM 756 CA LYS A 48 1.539 6.961 8.996 1.00 8.82 C ATOM 757 C LYS A 48 1.146 6.686 7.637 1.00 7.68 C ATOM 758 O LYS A 48 1.529 5.707 6.949 1.00 6.47 O ATOM 759 CB LYS A 48 2.939 7.460 8.840 1.00 9.74 C ATOM 760 CG LYS A 48 3.421 8.003 10.166 1.00 14.14 C ATOM 761 CD LYS A 48 4.754 8.715 10.091 1.00 16.32 C ATOM 762 CE LYS A 48 5.823 7.663 10.042 1.00 20.04 C ATOM 763 NZ LYS A 48 7.142 8.289 9.779 1.00 23.92 N ATOM 0 H LYS A 48 1.915 4.990 9.518 1.00 10.47 H new ATOM 0 HA LYS A 48 0.851 7.666 9.463 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.591 6.653 8.505 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.978 8.239 8.078 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.674 8.693 10.558 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.499 7.181 10.877 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.800 9.351 9.207 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.892 9.363 10.957 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.852 7.118 10.986 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.594 6.937 9.262 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.876 7.553 9.747 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.113 8.789 8.868 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.363 8.965 10.538 1.00 23.92 H new ATOM 777 N GLN A 49 0.292 7.580 7.099 1.00 8.89 N ATOM 778 CA GLN A 49 -0.188 7.452 5.731 1.00 7.18 C ATOM 779 C GLN A 49 0.813 7.676 4.592 1.00 8.23 C ATOM 780 O GLN A 49 1.754 8.463 4.701 1.00 9.70 O ATOM 781 CB GLN A 49 -1.464 8.261 5.433 1.00 11.67 C ATOM 782 CG GLN A 49 -2.691 7.732 6.174 1.00 15.82 C ATOM 783 CD GLN A 49 -3.722 8.847 6.148 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.179 9.304 5.061 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.138 9.333 7.344 1.00 20.67 N ATOM 0 H GLN A 49 -0.072 8.392 7.599 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.405 6.384 5.726 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.300 9.303 5.709 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.658 8.242 4.361 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.078 6.834 5.693 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.438 7.461 7.199 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.757 8.951 8.210 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.831 10.080 7.378 1.00 20.67 H new ATOM 794 N LEU A 50 0.614 7.007 3.410 1.00 6.51 N ATOM 795 CA LEU A 50 1.510 7.095 2.275 1.00 7.41 C ATOM 796 C LEU A 50 0.850 7.792 1.085 1.00 8.27 C ATOM 797 O LEU A 50 -0.389 7.710 0.895 1.00 8.34 O ATOM 798 CB LEU A 50 1.984 5.644 1.874 1.00 7.13 C ATOM 799 CG LEU A 50 2.592 4.756 2.995 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.923 3.378 2.424 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.812 5.409 3.671 1.00 9.11 C ATOM 0 H LEU A 50 -0.186 6.396 3.248 1.00 6.51 H new ATOM 0 HA LEU A 50 2.372 7.698 2.561 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.130 5.115 1.451 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.725 5.739 1.080 1.00 7.13 H new ATOM 0 HG LEU A 50 1.849 4.643 3.784 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.350 2.752 3.208 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.013 2.913 2.044 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.643 3.484 1.612 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.197 4.746 4.446 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.588 5.587 2.927 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.515 6.357 4.119 1.00 9.11 H new ATOM 813 N GLU A 51 1.669 8.579 0.415 1.00 9.43 N ATOM 814 CA GLU A 51 1.173 9.486 -0.564 1.00 11.90 C ATOM 815 C GLU A 51 1.305 9.041 -2.051 1.00 11.49 C ATOM 816 O GLU A 51 2.314 8.411 -2.450 1.00 9.88 O ATOM 817 CB GLU A 51 1.782 10.937 -0.407 1.00 16.56 C ATOM 818 CG GLU A 51 1.130 11.973 -1.291 1.00 26.06 C ATOM 819 CD GLU A 51 1.645 13.400 -1.080 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.624 13.853 0.101 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.033 14.074 -2.046 1.00 33.44 O ATOM 0 H GLU A 51 2.681 8.598 0.541 1.00 9.43 H new ATOM 0 HA GLU A 51 0.105 9.493 -0.345 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.687 11.250 0.633 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.848 10.900 -0.633 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.286 11.694 -2.333 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.054 11.958 -1.115 1.00 26.06 H new ATOM 828 N ASP A 52 0.242 9.218 -2.872 1.00 12.71 N ATOM 829 CA ASP A 52 0.084 8.581 -4.190 1.00 16.56 C ATOM 830 C ASP A 52 1.190 8.782 -5.193 1.00 15.83 C ATOM 831 O ASP A 52 1.505 7.797 -5.916 1.00 17.21 O ATOM 832 CB ASP A 52 -1.352 8.841 -4.788 1.00 21.05 C ATOM 833 CG ASP A 52 -1.572 10.331 -4.946 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.176 10.886 -6.007 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.171 10.948 -4.020 1.00 25.82 O ATOM 0 H ASP A 52 -0.543 9.821 -2.626 1.00 12.71 H new ATOM 0 HA ASP A 52 0.184 7.518 -3.972 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.451 8.344 -5.753 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -2.113 8.418 -4.132 1.00 21.05 H new ATOM 840 N GLY A 53 1.739 9.970 -5.232 1.00 15.00 N ATOM 841 CA GLY A 53 2.788 10.410 -6.135 1.00 11.77 C ATOM 842 C GLY A 53 4.205 10.359 -5.587 1.00 11.10 C ATOM 843 O GLY A 53 5.149 11.113 -6.028 1.00 11.25 O ATOM 0 H GLY A 53 1.449 10.710 -4.593 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.746 9.797 -7.035 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.573 11.435 -6.437 1.00 11.77 H new ATOM 847 N ARG A 54 4.430 9.377 -4.679 1.00 8.53 N ATOM 848 CA ARG A 54 5.706 9.135 -4.060 1.00 9.05 C ATOM 849 C ARG A 54 6.038 7.718 -4.169 1.00 8.96 C ATOM 850 O ARG A 54 5.204 6.834 -4.355 1.00 11.60 O ATOM 851 CB ARG A 54 5.707 9.597 -2.643 1.00 7.97 C ATOM 852 CG ARG A 54 5.527 11.137 -2.478 1.00 9.62 C ATOM 853 CD ARG A 54 5.875 11.516 -1.076 1.00 12.20 C ATOM 854 NE ARG A 54 5.706 12.996 -0.850 1.00 18.23 N ATOM 855 CZ ARG A 54 6.748 13.860 -0.917 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.003 13.423 -1.095 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.552 15.157 -0.796 1.00 23.38 N ATOM 0 H ARG A 54 3.702 8.734 -4.368 1.00 8.53 H new ATOM 0 HA ARG A 54 6.473 9.709 -4.579 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.907 9.088 -2.105 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.645 9.299 -2.175 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.166 11.669 -3.182 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.499 11.423 -2.702 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.242 10.965 -0.380 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.905 11.229 -0.865 1.00 12.20 H new ATOM 0 HE ARG A 54 4.777 13.360 -0.640 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.187 12.424 -1.183 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.773 14.090 -1.143 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.610 15.519 -0.650 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.343 15.799 -0.848 1.00 23.38 H new ATOM 871 N THR A 55 7.366 7.396 -4.034 1.00 9.05 N ATOM 872 CA THR A 55 7.873 6.002 -4.138 1.00 9.03 C ATOM 873 C THR A 55 8.059 5.306 -2.829 1.00 8.15 C ATOM 874 O THR A 55 8.170 5.907 -1.778 1.00 5.91 O ATOM 875 CB THR A 55 9.180 5.857 -4.936 1.00 11.15 C ATOM 876 OG1 THR A 55 10.106 6.891 -4.493 1.00 11.95 O ATOM 877 CG2 THR A 55 8.893 6.109 -6.467 1.00 11.71 C ATOM 0 H THR A 55 8.094 8.087 -3.854 1.00 9.05 H new ATOM 0 HA THR A 55 7.063 5.519 -4.685 1.00 9.03 H new ATOM 0 HB THR A 55 9.590 4.859 -4.783 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.997 6.502 -4.371 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.819 6.006 -7.033 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.166 5.380 -6.826 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.495 7.115 -6.602 1.00 11.71 H new ATOM 885 N LEU A 56 8.109 3.942 -2.771 1.00 6.91 N ATOM 886 CA LEU A 56 8.552 3.125 -1.629 1.00 8.29 C ATOM 887 C LEU A 56 9.934 3.618 -1.140 1.00 8.05 C ATOM 888 O LEU A 56 10.152 3.968 0.035 1.00 10.17 O ATOM 889 CB LEU A 56 8.539 1.639 -2.119 1.00 6.60 C ATOM 890 CG LEU A 56 7.171 1.030 -2.326 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.311 -0.292 -3.045 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.267 0.958 -1.074 1.00 8.64 C ATOM 0 H LEU A 56 7.825 3.367 -3.564 1.00 6.91 H new ATOM 0 HA LEU A 56 7.896 3.210 -0.762 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.089 1.580 -3.058 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.081 1.032 -1.394 1.00 6.60 H new ATOM 0 HG LEU A 56 6.618 1.725 -2.958 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.325 -0.731 -3.194 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.787 -0.131 -4.012 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.923 -0.968 -2.448 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.312 0.504 -1.340 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.754 0.355 -0.308 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.096 1.964 -0.690 1.00 8.64 H new ATOM 904 N SER A 57 10.927 3.847 -2.111 1.00 8.92 N ATOM 905 CA SER A 57 12.286 4.428 -1.925 1.00 9.00 C ATOM 906 C SER A 57 12.318 5.876 -1.336 1.00 9.44 C ATOM 907 O SER A 57 13.247 6.201 -0.635 1.00 10.91 O ATOM 908 CB SER A 57 13.005 4.470 -3.275 1.00 10.32 C ATOM 909 OG SER A 57 12.365 5.155 -4.355 1.00 13.59 O ATOM 0 H SER A 57 10.760 3.607 -3.088 1.00 8.92 H new ATOM 0 HA SER A 57 12.773 3.778 -1.198 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.981 4.930 -3.119 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.184 3.442 -3.590 1.00 10.32 H new ATOM 0 HG SER A 57 12.930 5.107 -5.154 1.00 13.59 H new ATOM 915 N ASP A 58 11.292 6.681 -1.580 1.00 9.11 N ATOM 916 CA ASP A 58 11.139 8.033 -1.006 1.00 7.91 C ATOM 917 C ASP A 58 10.811 7.935 0.498 1.00 9.12 C ATOM 918 O ASP A 58 11.383 8.688 1.303 1.00 8.61 O ATOM 919 CB ASP A 58 10.239 8.939 -1.792 1.00 8.41 C ATOM 920 CG ASP A 58 10.094 10.414 -1.382 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.084 11.097 -1.061 1.00 11.70 O ATOM 922 OD2 ASP A 58 8.975 10.921 -1.465 1.00 10.05 O ATOM 0 H ASP A 58 10.521 6.417 -2.194 1.00 9.11 H new ATOM 0 HA ASP A 58 12.100 8.541 -1.090 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.582 8.921 -2.826 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.242 8.498 -1.779 1.00 8.41 H new ATOM 927 N TYR A 59 10.008 6.980 0.882 1.00 7.97 N ATOM 928 CA TYR A 59 9.816 6.714 2.277 1.00 8.45 C ATOM 929 C TYR A 59 10.812 5.706 2.822 1.00 10.98 C ATOM 930 O TYR A 59 10.886 5.525 4.053 1.00 12.95 O ATOM 931 CB TYR A 59 8.447 6.106 2.504 1.00 7.94 C ATOM 932 CG TYR A 59 7.334 7.089 2.250 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.912 7.977 3.278 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.675 7.088 0.992 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.868 8.882 3.014 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.583 7.934 0.854 1.00 6.52 C ATOM 937 CZ TYR A 59 5.155 8.790 1.832 1.00 6.76 C ATOM 938 OH TYR A 59 4.097 9.695 1.585 1.00 7.63 O ATOM 0 H TYR A 59 9.480 6.378 0.251 1.00 7.97 H new ATOM 0 HA TYR A 59 9.940 7.672 2.783 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.322 5.243 1.850 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.380 5.741 3.529 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.387 7.957 4.248 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.008 6.458 0.180 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.623 9.649 3.734 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.040 7.915 -0.079 1.00 6.52 H new ATOM 0 HH TYR A 59 4.283 10.546 2.034 1.00 7.63 H new ATOM 948 N ASN A 60 11.697 5.160 1.933 1.00 12.38 N ATOM 949 CA ASN A 60 12.746 4.198 2.362 1.00 13.94 C ATOM 950 C ASN A 60 12.113 2.936 2.977 1.00 14.16 C ATOM 951 O ASN A 60 12.585 2.402 4.011 1.00 14.26 O ATOM 952 CB ASN A 60 13.873 4.843 3.230 1.00 19.23 C ATOM 953 CG ASN A 60 14.372 6.183 2.707 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.686 7.195 2.833 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.648 6.134 2.249 1.00 24.09 N ATOM 0 H ASN A 60 11.701 5.369 0.935 1.00 12.38 H new ATOM 0 HA ASN A 60 13.277 3.875 1.467 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.502 4.977 4.246 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.714 4.152 3.286 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.124 6.993 1.971 1.00 24.09 H new ATOM 0 HD22 ASN A 60 16.132 5.239 2.182 1.00 24.09 H new ATOM 962 N ILE A 61 10.963 2.457 2.391 1.00 11.08 N ATOM 963 CA ILE A 61 10.452 1.146 2.607 1.00 11.78 C ATOM 964 C ILE A 61 11.158 0.101 1.790 1.00 13.74 C ATOM 965 O ILE A 61 11.271 0.187 0.607 1.00 14.60 O ATOM 966 CB ILE A 61 8.910 1.078 2.300 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.158 2.093 3.221 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.262 -0.326 2.463 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.722 2.418 2.696 1.00 11.42 C ATOM 0 H ILE A 61 10.392 3.014 1.755 1.00 11.08 H new ATOM 0 HA ILE A 61 10.631 0.930 3.660 1.00 11.78 H new ATOM 0 HB ILE A 61 8.812 1.328 1.244 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.090 1.684 4.229 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.735 3.015 3.289 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.199 -0.266 2.229 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.744 -1.030 1.785 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.388 -0.668 3.490 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.240 3.127 3.369 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.789 2.853 1.699 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.134 1.501 2.653 1.00 11.42 H new ATOM 981 N GLN A 62 11.779 -0.849 2.516 1.00 13.97 N ATOM 982 CA GLN A 62 12.573 -1.975 1.963 1.00 15.52 C ATOM 983 C GLN A 62 11.787 -3.262 1.851 1.00 13.94 C ATOM 984 O GLN A 62 10.569 -3.335 2.054 1.00 12.15 O ATOM 985 CB GLN A 62 13.783 -2.108 2.841 1.00 19.53 C ATOM 986 CG GLN A 62 14.656 -0.815 2.700 1.00 26.38 C ATOM 987 CD GLN A 62 15.916 -0.854 3.563 1.00 30.61 C ATOM 988 OE1 GLN A 62 17.040 -0.685 3.119 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.723 -0.977 4.921 1.00 32.71 N ATOM 0 H GLN A 62 11.744 -0.858 3.535 1.00 13.97 H new ATOM 0 HA GLN A 62 12.862 -1.764 0.934 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.482 -2.248 3.879 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.361 -2.987 2.555 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.940 -0.686 1.656 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.058 0.053 2.977 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.783 -1.118 5.292 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.520 -0.927 5.556 1.00 32.71 H new ATOM 998 N LYS A 63 12.429 -4.371 1.496 1.00 11.73 N ATOM 999 CA LYS A 63 11.912 -5.698 1.505 1.00 11.97 C ATOM 1000 C LYS A 63 11.346 -6.167 2.820 1.00 10.41 C ATOM 1001 O LYS A 63 11.775 -5.732 3.904 1.00 9.59 O ATOM 1002 CB LYS A 63 12.982 -6.686 0.972 1.00 13.73 C ATOM 1003 CG LYS A 63 14.212 -6.742 1.885 1.00 16.98 C ATOM 1004 CD LYS A 63 15.339 -7.694 1.355 1.00 20.19 C ATOM 1005 CE LYS A 63 16.623 -7.530 2.138 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.756 -8.116 1.437 1.00 25.97 N ATOM 0 H LYS A 63 13.396 -4.342 1.173 1.00 11.73 H new ATOM 0 HA LYS A 63 11.049 -5.677 0.839 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.547 -7.682 0.887 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.287 -6.385 -0.030 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.619 -5.737 1.996 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.904 -7.073 2.877 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.002 -8.729 1.421 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.526 -7.486 0.302 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.811 -6.471 2.313 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.516 -8.000 3.116 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.619 -7.985 2.002 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.587 -9.132 1.293 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.872 -7.650 0.515 1.00 25.97 H new ATOM 1020 N GLU A 64 10.324 -7.072 2.852 1.00 10.04 N ATOM 1021 CA GLU A 64 9.905 -7.746 4.080 1.00 10.94 C ATOM 1022 C GLU A 64 9.396 -6.801 5.138 1.00 9.74 C ATOM 1023 O GLU A 64 9.672 -6.989 6.299 1.00 9.42 O ATOM 1024 CB GLU A 64 10.998 -8.784 4.530 1.00 18.31 C ATOM 1025 CG GLU A 64 11.343 -9.777 3.389 1.00 24.16 C ATOM 1026 CD GLU A 64 12.115 -10.972 3.840 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.355 -10.859 4.100 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.522 -12.028 4.060 1.00 31.72 O ATOM 0 H GLU A 64 9.785 -7.340 2.029 1.00 10.04 H new ATOM 0 HA GLU A 64 9.014 -8.339 3.875 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.900 -8.254 4.838 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.641 -9.337 5.399 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.418 -10.111 2.919 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.917 -9.252 2.625 1.00 24.16 H new ATOM 1035 N SER A 65 8.721 -5.772 4.629 1.00 6.85 N ATOM 1036 CA SER A 65 8.169 -4.657 5.362 1.00 6.90 C ATOM 1037 C SER A 65 6.708 -4.930 5.511 1.00 4.72 C ATOM 1038 O SER A 65 6.024 -5.329 4.540 1.00 3.91 O ATOM 1039 CB SER A 65 8.318 -3.284 4.672 1.00 7.28 C ATOM 1040 OG SER A 65 9.669 -2.886 4.523 1.00 10.56 O ATOM 0 H SER A 65 8.539 -5.700 3.628 1.00 6.85 H new ATOM 0 HA SER A 65 8.718 -4.585 6.301 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.846 -3.323 3.690 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.785 -2.531 5.253 1.00 7.28 H new ATOM 0 HG SER A 65 9.907 -2.886 3.572 1.00 10.56 H new ATOM 1046 N THR A 66 6.176 -4.649 6.701 1.00 4.48 N ATOM 1047 CA THR A 66 4.763 -4.946 6.985 1.00 3.80 C ATOM 1048 C THR A 66 3.950 -3.728 6.852 1.00 4.60 C ATOM 1049 O THR A 66 3.894 -2.843 7.714 1.00 5.33 O ATOM 1050 CB THR A 66 4.569 -5.501 8.424 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.272 -6.784 8.528 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.069 -5.683 8.819 1.00 3.40 C ATOM 0 H THR A 66 6.687 -4.224 7.474 1.00 4.48 H new ATOM 0 HA THR A 66 4.446 -5.701 6.265 1.00 3.80 H new ATOM 0 HB THR A 66 4.980 -4.769 9.119 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.160 -7.146 9.432 1.00 2.15 H new ATOM 0 HG21 THR A 66 3.005 -6.073 9.835 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.560 -4.721 8.767 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.594 -6.382 8.131 1.00 3.40 H new ATOM 1060 N LEU A 67 3.188 -3.582 5.743 1.00 4.17 N ATOM 1061 CA LEU A 67 2.433 -2.384 5.506 1.00 3.85 C ATOM 1062 C LEU A 67 1.000 -2.665 5.936 1.00 3.80 C ATOM 1063 O LEU A 67 0.542 -3.764 6.210 1.00 5.54 O ATOM 1064 CB LEU A 67 2.492 -2.046 4.004 1.00 7.18 C ATOM 1065 CG LEU A 67 3.815 -1.952 3.310 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.506 -1.292 2.045 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.851 -1.018 3.977 1.00 11.66 C ATOM 0 H LEU A 67 3.096 -4.291 5.015 1.00 4.17 H new ATOM 0 HA LEU A 67 2.832 -1.537 6.064 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.903 -2.798 3.479 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.985 -1.091 3.866 1.00 7.18 H new ATOM 0 HG LEU A 67 4.244 -2.954 3.281 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.420 -1.177 1.462 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.791 -1.895 1.485 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.076 -0.310 2.242 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.773 -1.022 3.395 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.453 -0.004 4.019 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.059 -1.368 4.988 1.00 11.66 H new ATOM 1079 N HIS A 68 0.204 -1.576 6.015 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.168 -1.561 6.399 1.00 4.17 C ATOM 1081 C HIS A 68 -1.984 -0.935 5.263 1.00 5.32 C ATOM 1082 O HIS A 68 -1.597 -0.006 4.542 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.345 -0.788 7.705 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.553 -1.356 8.825 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.112 -2.083 9.903 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.808 -1.303 9.076 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.088 -2.293 10.747 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.067 -1.901 10.298 1.00 16.30 N ATOM 0 H HIS A 68 0.552 -0.643 5.793 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.522 -2.577 6.574 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.052 0.250 7.549 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.400 -0.784 7.978 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.549 -0.865 8.423 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.214 -2.749 11.718 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.974 -2.011 10.751 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.047 -1.621 4.992 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.990 -1.171 3.981 1.00 3.97 C ATOM 1098 C LEU A 69 -5.197 -0.900 4.728 1.00 5.07 C ATOM 1099 O LEU A 69 -5.703 -1.728 5.488 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.251 -2.261 2.935 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.469 -2.114 1.980 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.474 -0.857 1.135 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.680 -3.360 1.104 1.00 9.96 C ATOM 0 H LEU A 69 -3.297 -2.498 5.449 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.619 -0.306 3.431 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.357 -2.345 2.317 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.361 -3.207 3.466 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.317 -2.015 2.657 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.362 -0.847 0.503 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.481 0.018 1.785 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.583 -0.837 0.508 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.542 -3.207 0.455 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.793 -3.530 0.494 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.855 -4.227 1.741 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.643 0.409 4.784 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.955 0.717 5.398 1.00 6.26 C ATOM 1117 C VAL A 70 -7.875 1.161 4.236 1.00 9.22 C ATOM 1118 O VAL A 70 -7.473 1.439 3.114 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.816 1.772 6.540 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -5.947 1.154 7.620 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.302 3.073 6.035 1.00 8.54 C ATOM 0 H VAL A 70 -5.130 1.215 4.427 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.391 -0.149 5.896 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.790 2.017 6.963 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.825 1.863 8.439 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.421 0.246 7.993 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -4.970 0.909 7.204 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.221 3.778 6.862 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.320 2.926 5.585 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.988 3.470 5.287 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.202 1.164 4.493 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.198 1.603 3.532 1.00 16.06 C ATOM 1133 C LEU A 71 -10.606 2.956 3.859 1.00 18.09 C ATOM 1134 O LEU A 71 -10.849 3.394 5.032 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.335 0.586 3.333 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.912 -0.821 3.114 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.194 -1.698 3.233 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.241 -1.055 1.728 1.00 19.57 C ATOM 0 H LEU A 71 -9.598 0.858 5.382 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.758 1.643 2.535 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.984 0.619 4.208 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.935 0.902 2.480 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.158 -1.082 3.856 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.934 -2.745 3.079 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.629 -1.574 4.225 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.917 -1.389 2.479 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.957 -2.103 1.634 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.943 -0.797 0.935 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.353 -0.429 1.643 1.00 19.57 H new