USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 6 LYS NZ :NH3+ 173:sc= 1.07 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 170:sc= 0.927 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.0844 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -158:sc= 0 (180deg=-0.188) USER MOD Single : A 1 MET N :NH3+ -178:sc= 2.5 (180deg=2.42) USER MOD Single : A 2 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.011) USER MOD Single : A 11 LYS NZ :NH3+ 138:sc= 0.927 (180deg=-0.779!) USER MOD Single : A 14 THR OG1 : rot -76:sc= 0.361 USER MOD Single : A 20 SER OG : rot 180:sc= 0.046 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0302 K(o=-0.03,f=-0.58) USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= 2.18 (180deg=0.00549!) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 1.31 (180deg=1.26) USER MOD Single : A 31 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.79) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 41 GLN : amide:sc= 0.756 K(o=0.76,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.584 K(o=0.58,f=-0.023) USER MOD Single : A 55 THR OG1 : rot -46:sc= 1.17 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -44:sc= 0.551 USER MOD Single : A 60 ASN : amide:sc= -0.0288 K(o=-0.029,f=-0.91) USER MOD Single : A 62 GLN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00438) USER MOD Single : A 65 SER OG : rot 102:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.706 -7.090 -4.789 1.00 9.67 N ATOM 2 CA MET A 1 11.645 -7.042 -3.284 1.00 10.38 C ATOM 3 C MET A 1 10.335 -7.487 -2.690 1.00 9.62 C ATOM 4 O MET A 1 9.280 -7.049 -3.176 1.00 9.62 O ATOM 5 CB MET A 1 11.889 -5.552 -3.065 1.00 13.77 C ATOM 6 CG MET A 1 12.301 -5.138 -1.643 1.00 16.29 C ATOM 7 SD MET A 1 12.723 -3.392 -1.553 1.00 17.17 S ATOM 8 CE MET A 1 11.054 -2.801 -1.126 1.00 16.11 C ATOM 0 H1 MET A 1 12.653 -6.800 -5.108 1.00 9.67 H new ATOM 0 H2 MET A 1 11.513 -8.059 -5.114 1.00 9.67 H new ATOM 0 H3 MET A 1 10.994 -6.444 -5.186 1.00 9.67 H new ATOM 0 HA MET A 1 12.347 -7.722 -2.801 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.666 -5.226 -3.756 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.980 -5.012 -3.330 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.486 -5.351 -0.952 1.00 16.29 H new ATOM 0 HG3 MET A 1 13.155 -5.735 -1.323 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.962 -1.748 -1.392 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.311 -3.380 -1.675 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.889 -2.921 -0.055 1.00 16.11 H new ATOM 20 N GLN A 2 10.275 -8.308 -1.634 1.00 9.27 N ATOM 21 CA GLN A 2 9.041 -8.749 -1.050 1.00 9.07 C ATOM 22 C GLN A 2 8.467 -7.775 0.047 1.00 8.72 C ATOM 23 O GLN A 2 9.231 -7.328 0.889 1.00 8.22 O ATOM 24 CB GLN A 2 9.253 -10.151 -0.358 1.00 14.46 C ATOM 25 CG GLN A 2 7.940 -10.761 0.199 1.00 17.01 C ATOM 26 CD GLN A 2 8.090 -12.199 0.339 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.025 -12.836 1.411 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.272 -12.892 -0.807 1.00 19.49 N ATOM 0 H GLN A 2 11.103 -8.679 -1.169 1.00 9.27 H new ATOM 0 HA GLN A 2 8.328 -8.791 -1.874 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.690 -10.842 -1.078 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.970 -10.043 0.456 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.701 -10.315 1.164 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.110 -10.536 -0.471 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.329 -12.398 -1.698 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.352 -13.908 -0.781 1.00 19.49 H new ATOM 37 N ILE A 3 7.113 -7.607 0.135 1.00 5.87 N ATOM 38 CA ILE A 3 6.552 -6.815 1.215 1.00 5.07 C ATOM 39 C ILE A 3 5.238 -7.458 1.531 1.00 4.01 C ATOM 40 O ILE A 3 4.794 -8.370 0.854 1.00 4.61 O ATOM 41 CB ILE A 3 6.362 -5.311 0.855 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.372 -4.995 -0.295 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.790 -4.691 0.589 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.121 -3.506 -0.505 1.00 10.83 C ATOM 0 H ILE A 3 6.433 -8.002 -0.514 1.00 5.87 H new ATOM 0 HA ILE A 3 7.235 -6.804 2.065 1.00 5.07 H new ATOM 0 HB ILE A 3 5.874 -4.846 1.711 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.758 -5.422 -1.221 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.422 -5.488 -0.088 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.687 -3.636 0.334 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.402 -4.790 1.485 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.268 -5.219 -0.236 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.418 -3.368 -1.327 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.704 -3.075 0.405 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.061 -3.009 -0.744 1.00 10.83 H new ATOM 56 N PHE A 4 4.541 -6.943 2.600 1.00 4.55 N ATOM 57 CA PHE A 4 3.352 -7.544 3.172 1.00 4.68 C ATOM 58 C PHE A 4 2.359 -6.429 3.283 1.00 5.30 C ATOM 59 O PHE A 4 2.738 -5.345 3.643 1.00 5.58 O ATOM 60 CB PHE A 4 3.585 -8.247 4.547 1.00 4.83 C ATOM 61 CG PHE A 4 4.639 -9.304 4.484 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.508 -10.424 3.650 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.688 -9.311 5.464 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.458 -11.436 3.689 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.656 -10.346 5.453 1.00 10.61 C ATOM 66 CZ PHE A 4 6.523 -11.384 4.579 1.00 8.90 C ATOM 0 H PHE A 4 4.821 -6.084 3.073 1.00 4.55 H new ATOM 0 HA PHE A 4 3.002 -8.354 2.532 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.869 -7.500 5.288 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.650 -8.692 4.886 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.667 -10.499 2.977 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.739 -8.530 6.208 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.367 -12.277 3.017 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.494 -10.313 6.133 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.256 -12.177 4.579 1.00 8.90 H new ATOM 76 N VAL A 5 1.115 -6.688 2.915 1.00 4.44 N ATOM 77 CA VAL A 5 0.029 -5.804 3.219 1.00 3.87 C ATOM 78 C VAL A 5 -0.903 -6.552 4.154 1.00 4.93 C ATOM 79 O VAL A 5 -1.232 -7.640 3.871 1.00 6.84 O ATOM 80 CB VAL A 5 -0.768 -5.382 1.988 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.925 -4.413 2.376 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.205 -4.702 0.964 1.00 9.13 C ATOM 0 H VAL A 5 0.841 -7.522 2.396 1.00 4.44 H new ATOM 0 HA VAL A 5 0.442 -4.896 3.658 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.221 -6.263 1.533 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.477 -4.128 1.480 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.598 -4.911 3.074 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.510 -3.521 2.846 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.354 -4.396 0.079 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.664 -3.827 1.424 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.982 -5.410 0.675 1.00 9.13 H new ATOM 92 N LYS A 6 -1.328 -5.960 5.268 1.00 6.04 N ATOM 93 CA LYS A 6 -2.347 -6.406 6.215 1.00 6.12 C ATOM 94 C LYS A 6 -3.610 -5.600 5.926 1.00 6.57 C ATOM 95 O LYS A 6 -3.699 -4.343 5.953 1.00 5.76 O ATOM 96 CB LYS A 6 -1.945 -6.208 7.692 1.00 7.45 C ATOM 97 CG LYS A 6 -0.963 -7.307 8.271 1.00 11.12 C ATOM 98 CD LYS A 6 -1.719 -8.613 8.382 1.00 14.54 C ATOM 99 CE LYS A 6 -0.944 -9.542 9.338 1.00 18.84 C ATOM 100 NZ LYS A 6 0.306 -10.078 8.656 1.00 20.55 N ATOM 0 H LYS A 6 -0.928 -5.068 5.558 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.492 -7.478 6.082 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.475 -5.230 7.797 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.849 -6.194 8.300 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.098 -7.424 7.618 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.587 -7.003 9.248 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.727 -8.437 8.758 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.821 -9.077 7.401 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.669 -8.998 10.241 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.581 -10.370 9.647 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.879 -10.605 9.346 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.032 -10.711 7.878 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.862 -9.285 8.278 1.00 20.55 H new ATOM 114 N THR A 7 -4.709 -6.418 5.715 1.00 7.41 N ATOM 115 CA THR A 7 -6.081 -5.999 5.450 1.00 7.48 C ATOM 116 C THR A 7 -6.918 -5.767 6.728 1.00 8.75 C ATOM 117 O THR A 7 -6.512 -6.165 7.815 1.00 8.58 O ATOM 118 CB THR A 7 -6.874 -6.853 4.482 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.320 -8.026 5.093 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.913 -7.260 3.325 1.00 9.17 C ATOM 0 H THR A 7 -4.621 -7.434 5.733 1.00 7.41 H new ATOM 0 HA THR A 7 -5.912 -5.047 4.947 1.00 7.48 H new ATOM 0 HB THR A 7 -7.737 -6.287 4.131 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.830 -8.558 4.447 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.451 -7.878 2.606 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.542 -6.364 2.828 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.073 -7.823 3.731 1.00 9.17 H new ATOM 128 N LEU A 8 -8.119 -5.151 6.649 1.00 9.84 N ATOM 129 CA LEU A 8 -9.000 -4.885 7.753 1.00 14.15 C ATOM 130 C LEU A 8 -9.739 -6.076 8.238 1.00 17.37 C ATOM 131 O LEU A 8 -10.430 -5.987 9.264 1.00 17.01 O ATOM 132 CB LEU A 8 -10.127 -3.838 7.357 1.00 16.63 C ATOM 133 CG LEU A 8 -9.680 -2.434 7.165 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.848 -1.472 6.811 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.922 -1.786 8.278 1.00 18.59 C ATOM 0 H LEU A 8 -8.496 -4.820 5.761 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.331 -4.515 8.530 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.600 -4.176 6.435 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.894 -3.851 8.132 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.983 -2.572 6.339 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.461 -0.461 6.683 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.321 -1.799 5.885 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.582 -1.480 7.616 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.663 -0.766 7.996 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.539 -1.768 9.176 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.011 -2.351 8.475 1.00 18.59 H new ATOM 147 N THR A 9 -9.602 -7.235 7.541 1.00 18.33 N ATOM 148 CA THR A 9 -10.035 -8.523 8.034 1.00 19.24 C ATOM 149 C THR A 9 -8.920 -9.380 8.496 1.00 19.48 C ATOM 150 O THR A 9 -9.096 -10.539 8.850 1.00 23.14 O ATOM 151 CB THR A 9 -10.852 -9.278 6.998 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.140 -9.355 5.771 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.003 -8.409 6.654 1.00 19.70 C ATOM 0 H THR A 9 -9.180 -7.277 6.613 1.00 18.33 H new ATOM 0 HA THR A 9 -10.661 -8.299 8.897 1.00 19.24 H new ATOM 0 HB THR A 9 -11.103 -10.262 7.394 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.675 -9.845 5.112 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.625 -8.907 5.910 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.593 -8.216 7.550 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.638 -7.465 6.249 1.00 19.70 H new ATOM 161 N GLY A 10 -7.745 -8.843 8.577 1.00 19.43 N ATOM 162 CA GLY A 10 -6.501 -9.467 9.078 1.00 18.74 C ATOM 163 C GLY A 10 -5.796 -10.309 8.057 1.00 17.62 C ATOM 164 O GLY A 10 -4.757 -10.901 8.366 1.00 19.74 O ATOM 0 H GLY A 10 -7.588 -7.881 8.278 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.824 -8.684 9.420 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.738 -10.084 9.944 1.00 18.74 H new ATOM 168 N LYS A 11 -6.310 -10.297 6.755 1.00 13.56 N ATOM 169 CA LYS A 11 -5.578 -11.062 5.755 1.00 11.91 C ATOM 170 C LYS A 11 -4.175 -10.470 5.383 1.00 10.18 C ATOM 171 O LYS A 11 -3.962 -9.252 5.394 1.00 9.10 O ATOM 172 CB LYS A 11 -6.368 -11.303 4.440 1.00 13.43 C ATOM 173 CG LYS A 11 -5.652 -12.229 3.372 1.00 16.69 C ATOM 174 CD LYS A 11 -6.574 -12.598 2.198 1.00 17.92 C ATOM 175 CE LYS A 11 -6.583 -11.480 1.153 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.346 -12.018 0.083 1.00 21.93 N ATOM 0 H LYS A 11 -7.146 -9.806 6.437 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.430 -12.016 6.262 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.331 -11.747 4.692 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.573 -10.337 3.978 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.768 -11.719 2.989 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.308 -13.141 3.860 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.237 -13.528 1.741 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.586 -12.771 2.563 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.034 -10.569 1.547 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.573 -11.223 0.834 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.987 -11.288 -0.288 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.707 -12.335 -0.674 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.904 -12.826 0.426 1.00 21.93 H new ATOM 190 N THR A 12 -3.159 -11.335 5.033 1.00 9.63 N ATOM 191 CA THR A 12 -1.829 -10.877 4.657 1.00 9.85 C ATOM 192 C THR A 12 -1.697 -11.065 3.183 1.00 11.66 C ATOM 193 O THR A 12 -1.689 -12.219 2.729 1.00 12.33 O ATOM 194 CB THR A 12 -0.664 -11.530 5.319 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.902 -11.779 6.735 1.00 10.91 O ATOM 196 CG2 THR A 12 0.649 -10.820 5.191 1.00 9.63 C ATOM 0 H THR A 12 -3.267 -12.349 5.013 1.00 9.63 H new ATOM 0 HA THR A 12 -1.778 -9.842 4.994 1.00 9.85 H new ATOM 0 HB THR A 12 -0.578 -12.463 4.762 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.188 -12.348 7.092 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.421 -11.387 5.711 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.913 -10.730 4.137 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.570 -9.826 5.632 1.00 9.63 H new ATOM 204 N ILE A 13 -1.577 -9.988 2.376 1.00 10.42 N ATOM 205 CA ILE A 13 -1.197 -9.996 0.985 1.00 11.84 C ATOM 206 C ILE A 13 0.278 -9.884 0.782 1.00 10.55 C ATOM 207 O ILE A 13 0.881 -8.808 1.019 1.00 11.92 O ATOM 208 CB ILE A 13 -1.802 -8.773 0.116 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.236 -8.509 0.608 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.874 -9.141 -1.364 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.954 -7.271 0.030 1.00 16.46 C ATOM 0 H ILE A 13 -1.758 -9.044 2.718 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.598 -10.953 0.651 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.162 -7.899 0.235 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.840 -9.388 0.382 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.210 -8.411 1.693 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.284 -8.303 -1.928 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.874 -9.370 -1.731 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.516 -10.013 -1.491 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.954 -7.199 0.456 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.388 -6.373 0.278 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.027 -7.366 -1.053 1.00 16.46 H new ATOM 223 N THR A 14 1.003 -10.970 0.451 1.00 9.39 N ATOM 224 CA THR A 14 2.514 -10.872 0.292 1.00 9.63 C ATOM 225 C THR A 14 2.710 -10.395 -1.129 1.00 11.20 C ATOM 226 O THR A 14 2.214 -11.104 -2.005 1.00 11.63 O ATOM 227 CB THR A 14 3.146 -12.251 0.503 1.00 10.38 C ATOM 228 OG1 THR A 14 2.899 -12.823 1.806 1.00 16.30 O ATOM 229 CG2 THR A 14 4.637 -12.186 0.355 1.00 11.66 C ATOM 0 H THR A 14 0.613 -11.898 0.289 1.00 9.39 H new ATOM 0 HA THR A 14 2.979 -10.201 1.014 1.00 9.63 H new ATOM 0 HB THR A 14 2.677 -12.876 -0.257 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.468 -12.382 2.470 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.062 -13.178 0.510 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.888 -11.836 -0.646 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.046 -11.497 1.094 1.00 11.66 H new ATOM 237 N LEU A 15 3.304 -9.181 -1.350 1.00 8.29 N ATOM 238 CA LEU A 15 3.560 -8.577 -2.660 1.00 9.03 C ATOM 239 C LEU A 15 4.963 -8.820 -3.179 1.00 8.59 C ATOM 240 O LEU A 15 5.927 -9.114 -2.444 1.00 7.79 O ATOM 241 CB LEU A 15 3.215 -7.046 -2.587 1.00 11.08 C ATOM 242 CG LEU A 15 1.683 -6.725 -2.399 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.334 -5.240 -2.656 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.793 -7.560 -3.322 1.00 15.27 C ATOM 0 H LEU A 15 3.622 -8.591 -0.581 1.00 8.29 H new ATOM 0 HA LEU A 15 2.913 -9.066 -3.388 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.770 -6.601 -1.761 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.564 -6.565 -3.501 1.00 11.08 H new ATOM 0 HG LEU A 15 1.490 -6.972 -1.355 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.265 -5.087 -2.510 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.889 -4.610 -1.961 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.602 -4.975 -3.679 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.252 -7.300 -3.153 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.054 -7.356 -4.361 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.942 -8.619 -3.111 1.00 15.27 H new ATOM 256 N GLU A 16 5.205 -8.776 -4.496 1.00 11.04 N ATOM 257 CA GLU A 16 6.490 -8.614 -5.084 1.00 11.50 C ATOM 258 C GLU A 16 6.517 -7.196 -5.623 1.00 10.13 C ATOM 259 O GLU A 16 5.546 -6.810 -6.356 1.00 9.83 O ATOM 260 CB GLU A 16 6.879 -9.613 -6.175 1.00 17.22 C ATOM 261 CG GLU A 16 8.408 -9.618 -6.642 1.00 23.33 C ATOM 262 CD GLU A 16 9.374 -10.064 -5.583 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.100 -10.992 -4.788 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.452 -9.432 -5.512 1.00 28.86 O ATOM 0 H GLU A 16 4.461 -8.858 -5.189 1.00 11.04 H new ATOM 0 HA GLU A 16 7.234 -8.811 -4.312 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.629 -10.614 -5.823 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.258 -9.418 -7.050 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.509 -10.271 -7.509 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.680 -8.614 -6.966 1.00 23.33 H new ATOM 271 N VAL A 17 7.494 -6.387 -5.206 1.00 8.99 N ATOM 272 CA VAL A 17 7.478 -4.964 -5.577 1.00 8.85 C ATOM 273 C VAL A 17 8.872 -4.535 -5.922 1.00 8.04 C ATOM 274 O VAL A 17 9.837 -5.147 -5.473 1.00 8.99 O ATOM 275 CB VAL A 17 6.947 -4.128 -4.430 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.553 -4.547 -3.954 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.843 -4.181 -3.190 1.00 10.54 C ATOM 0 H VAL A 17 8.284 -6.677 -4.629 1.00 8.99 H new ATOM 0 HA VAL A 17 6.825 -4.821 -6.438 1.00 8.85 H new ATOM 0 HB VAL A 17 6.917 -3.125 -4.855 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.241 -3.903 -3.132 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.844 -4.454 -4.777 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.581 -5.582 -3.614 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.411 -3.563 -2.402 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.921 -5.211 -2.842 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.835 -3.807 -3.442 1.00 10.54 H new ATOM 287 N GLU A 18 9.051 -3.480 -6.739 1.00 7.29 N ATOM 288 CA GLU A 18 10.351 -2.829 -7.009 1.00 7.08 C ATOM 289 C GLU A 18 10.395 -1.651 -6.004 1.00 6.45 C ATOM 290 O GLU A 18 9.343 -1.016 -5.714 1.00 5.28 O ATOM 291 CB GLU A 18 10.502 -2.194 -8.432 1.00 10.28 C ATOM 292 CG GLU A 18 10.672 -3.190 -9.522 1.00 12.65 C ATOM 293 CD GLU A 18 11.154 -2.680 -10.898 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.443 -1.937 -11.637 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.278 -3.114 -11.299 1.00 18.17 O ATOM 0 H GLU A 18 8.278 -3.045 -7.243 1.00 7.29 H new ATOM 0 HA GLU A 18 11.134 -3.583 -6.928 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.622 -1.586 -8.643 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.360 -1.522 -8.430 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.380 -3.944 -9.178 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.716 -3.693 -9.668 1.00 12.65 H new ATOM 302 N PRO A 19 11.467 -1.289 -5.356 1.00 7.24 N ATOM 303 CA PRO A 19 11.421 -0.196 -4.360 1.00 7.07 C ATOM 304 C PRO A 19 11.158 1.215 -4.892 1.00 6.65 C ATOM 305 O PRO A 19 11.016 2.181 -4.177 1.00 6.37 O ATOM 306 CB PRO A 19 12.878 -0.273 -3.808 1.00 7.61 C ATOM 307 CG PRO A 19 13.791 -0.881 -4.934 1.00 8.16 C ATOM 308 CD PRO A 19 12.784 -1.795 -5.659 1.00 7.49 C ATOM 0 HA PRO A 19 10.594 -0.335 -3.664 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.231 0.718 -3.525 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.914 -0.892 -2.912 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.202 -0.115 -5.592 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.635 -1.437 -4.526 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.962 -1.790 -6.734 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.888 -2.827 -5.324 1.00 7.49 H new ATOM 316 N SER A 20 11.195 1.315 -6.216 1.00 6.80 N ATOM 317 CA SER A 20 11.009 2.451 -7.086 1.00 6.28 C ATOM 318 C SER A 20 9.598 2.521 -7.674 1.00 8.45 C ATOM 319 O SER A 20 9.229 3.456 -8.383 1.00 7.26 O ATOM 320 CB SER A 20 12.056 2.423 -8.185 1.00 8.57 C ATOM 321 OG SER A 20 12.095 1.140 -8.773 1.00 11.13 O ATOM 0 H SER A 20 11.383 0.480 -6.771 1.00 6.80 H new ATOM 0 HA SER A 20 11.132 3.353 -6.486 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.824 3.173 -8.941 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.034 2.676 -7.775 1.00 8.57 H new ATOM 0 HG SER A 20 12.770 1.126 -9.483 1.00 11.13 H new ATOM 327 N ASP A 21 8.720 1.537 -7.309 1.00 7.50 N ATOM 328 CA ASP A 21 7.316 1.551 -7.602 1.00 7.70 C ATOM 329 C ASP A 21 6.727 2.711 -6.839 1.00 7.08 C ATOM 330 O ASP A 21 7.057 3.015 -5.704 1.00 8.11 O ATOM 331 CB ASP A 21 6.707 0.161 -7.356 1.00 11.00 C ATOM 332 CG ASP A 21 7.235 -0.769 -8.393 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.731 -0.481 -9.516 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.969 -1.958 -8.177 1.00 14.36 O ATOM 0 H ASP A 21 9.011 0.708 -6.792 1.00 7.50 H new ATOM 0 HA ASP A 21 7.084 1.726 -8.653 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.965 -0.196 -6.359 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.619 0.208 -7.406 1.00 11.00 H new ATOM 339 N THR A 22 5.752 3.440 -7.463 1.00 5.37 N ATOM 340 CA THR A 22 5.035 4.426 -6.686 1.00 6.01 C ATOM 341 C THR A 22 4.093 3.780 -5.704 1.00 8.01 C ATOM 342 O THR A 22 3.890 2.573 -5.655 1.00 8.11 O ATOM 343 CB THR A 22 4.229 5.432 -7.520 1.00 8.92 C ATOM 344 OG1 THR A 22 3.324 4.743 -8.396 1.00 10.22 O ATOM 345 CG2 THR A 22 5.160 6.309 -8.433 1.00 9.65 C ATOM 0 H THR A 22 5.477 3.353 -8.441 1.00 5.37 H new ATOM 0 HA THR A 22 5.823 4.975 -6.170 1.00 6.01 H new ATOM 0 HB THR A 22 3.695 6.064 -6.810 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.815 5.396 -8.920 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.552 7.008 -9.007 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.862 6.864 -7.810 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.713 5.664 -9.115 1.00 9.65 H new ATOM 353 N ILE A 23 3.466 4.636 -4.805 1.00 8.32 N ATOM 354 CA ILE A 23 2.503 4.087 -3.896 1.00 9.92 C ATOM 355 C ILE A 23 1.200 3.762 -4.601 1.00 10.01 C ATOM 356 O ILE A 23 0.539 2.799 -4.325 1.00 8.71 O ATOM 357 CB ILE A 23 2.200 5.000 -2.791 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.499 5.414 -1.997 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.112 4.489 -1.835 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.319 4.237 -1.407 1.00 12.30 C ATOM 0 H ILE A 23 3.629 5.640 -4.729 1.00 8.32 H new ATOM 0 HA ILE A 23 2.956 3.178 -3.500 1.00 9.92 H new ATOM 0 HB ILE A 23 1.787 5.889 -3.267 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.144 5.987 -2.663 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.211 6.078 -1.183 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.947 5.223 -1.046 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.185 4.336 -2.387 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.431 3.545 -1.392 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.190 4.628 -0.881 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.698 3.674 -0.711 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.646 3.581 -2.214 1.00 12.30 H new ATOM 372 N GLU A 24 0.795 4.598 -5.596 1.00 9.54 N ATOM 373 CA GLU A 24 -0.345 4.221 -6.391 1.00 11.81 C ATOM 374 C GLU A 24 -0.306 2.966 -7.193 1.00 11.14 C ATOM 375 O GLU A 24 -1.268 2.279 -7.517 1.00 10.62 O ATOM 376 CB GLU A 24 -0.865 5.404 -7.259 1.00 19.24 C ATOM 377 CG GLU A 24 -2.328 5.327 -7.705 1.00 27.76 C ATOM 378 CD GLU A 24 -2.786 6.454 -8.646 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.929 7.686 -8.266 1.00 34.80 O ATOM 380 OE2 GLU A 24 -3.072 6.133 -9.838 1.00 36.51 O ATOM 0 H GLU A 24 1.232 5.487 -5.838 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.048 3.960 -5.600 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.727 6.327 -6.697 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.240 5.476 -8.149 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -2.489 4.371 -8.203 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.962 5.335 -6.819 1.00 27.76 H new ATOM 387 N ASN A 25 0.900 2.525 -7.563 1.00 9.43 N ATOM 388 CA ASN A 25 1.120 1.272 -8.218 1.00 10.96 C ATOM 389 C ASN A 25 0.812 0.087 -7.277 1.00 9.68 C ATOM 390 O ASN A 25 0.204 -0.854 -7.726 1.00 9.33 O ATOM 391 CB ASN A 25 2.664 1.118 -8.662 1.00 16.78 C ATOM 392 CG ASN A 25 2.938 -0.135 -9.503 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.988 -1.250 -8.926 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.222 -0.068 -10.800 1.00 24.70 N ATOM 0 H ASN A 25 1.757 3.055 -7.403 1.00 9.43 H new ATOM 0 HA ASN A 25 0.459 1.258 -9.085 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.960 1.999 -9.231 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.289 1.090 -7.770 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.476 -0.914 -11.311 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.186 0.829 -11.284 1.00 24.70 H new ATOM 401 N VAL A 26 1.300 0.222 -6.014 1.00 6.52 N ATOM 402 CA VAL A 26 1.066 -0.676 -4.927 1.00 5.53 C ATOM 403 C VAL A 26 -0.474 -0.764 -4.798 1.00 4.42 C ATOM 404 O VAL A 26 -1.015 -1.887 -4.889 1.00 3.40 O ATOM 405 CB VAL A 26 1.835 -0.366 -3.637 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.587 -1.469 -2.612 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.347 -0.439 -4.022 1.00 8.12 C ATOM 0 H VAL A 26 1.892 1.009 -5.748 1.00 6.52 H new ATOM 0 HA VAL A 26 1.485 -1.660 -5.136 1.00 5.53 H new ATOM 0 HB VAL A 26 1.534 0.597 -3.225 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.135 -1.245 -1.697 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.521 -1.528 -2.391 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.927 -2.423 -3.015 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.957 -0.227 -3.144 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.580 -1.437 -4.393 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.561 0.296 -4.798 1.00 8.12 H new ATOM 417 N LYS A 27 -1.211 0.370 -4.714 1.00 2.64 N ATOM 418 CA LYS A 27 -2.686 0.313 -4.598 1.00 4.14 C ATOM 419 C LYS A 27 -3.321 -0.334 -5.869 1.00 5.58 C ATOM 420 O LYS A 27 -4.129 -1.269 -5.745 1.00 4.11 O ATOM 421 CB LYS A 27 -3.346 1.688 -4.277 1.00 3.97 C ATOM 422 CG LYS A 27 -2.852 2.422 -3.110 1.00 7.45 C ATOM 423 CD LYS A 27 -3.244 3.932 -3.042 1.00 9.02 C ATOM 424 CE LYS A 27 -3.153 4.575 -1.623 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.833 5.898 -1.447 1.00 15.47 N ATOM 0 H LYS A 27 -0.820 1.312 -4.724 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.894 -0.322 -3.737 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.229 2.329 -5.151 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.415 1.524 -4.143 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.222 1.929 -2.211 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.765 2.347 -3.090 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.598 4.490 -3.719 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.264 4.044 -3.410 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.576 3.875 -0.903 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.100 4.696 -1.369 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.312 6.466 -0.749 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.854 6.401 -2.357 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.806 5.746 -1.112 1.00 15.47 H new ATOM 439 N ALA A 28 -2.930 -0.005 -7.102 1.00 6.61 N ATOM 440 CA ALA A 28 -3.229 -0.719 -8.381 1.00 7.74 C ATOM 441 C ALA A 28 -2.915 -2.212 -8.358 1.00 9.17 C ATOM 442 O ALA A 28 -3.701 -3.033 -8.839 1.00 11.45 O ATOM 443 CB ALA A 28 -2.476 -0.151 -9.631 1.00 7.68 C ATOM 0 H ALA A 28 -2.355 0.822 -7.263 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.303 -0.552 -8.469 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.751 -0.727 -10.514 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.752 0.893 -9.778 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.400 -0.223 -9.471 1.00 7.68 H new ATOM 449 N LYS A 29 -1.758 -2.624 -7.756 1.00 8.96 N ATOM 450 CA LYS A 29 -1.411 -3.980 -7.620 1.00 7.90 C ATOM 451 C LYS A 29 -2.382 -4.768 -6.726 1.00 6.92 C ATOM 452 O LYS A 29 -2.769 -5.912 -6.970 1.00 6.87 O ATOM 453 CB LYS A 29 0.069 -4.094 -7.258 1.00 10.28 C ATOM 454 CG LYS A 29 0.624 -5.533 -6.997 1.00 14.94 C ATOM 455 CD LYS A 29 2.101 -5.515 -6.937 1.00 19.69 C ATOM 456 CE LYS A 29 2.726 -5.713 -8.313 1.00 22.63 C ATOM 457 NZ LYS A 29 4.172 -5.548 -8.286 1.00 24.98 N ATOM 0 H LYS A 29 -1.069 -1.981 -7.366 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.531 -4.482 -8.580 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.651 -3.647 -8.064 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.247 -3.494 -6.365 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.221 -5.921 -6.061 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.294 -6.206 -7.789 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.436 -4.566 -6.519 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.447 -6.300 -6.264 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.482 -6.709 -8.682 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.293 -4.999 -9.014 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.561 -5.741 -9.231 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.405 -4.573 -8.008 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.584 -6.212 -7.600 1.00 24.98 H new ATOM 471 N ILE A 30 -2.865 -4.120 -5.651 1.00 4.57 N ATOM 472 CA ILE A 30 -3.912 -4.516 -4.741 1.00 5.58 C ATOM 473 C ILE A 30 -5.281 -4.482 -5.452 1.00 7.26 C ATOM 474 O ILE A 30 -6.169 -5.256 -5.141 1.00 9.46 O ATOM 475 CB ILE A 30 -3.776 -3.679 -3.487 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.354 -3.911 -2.852 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.841 -4.099 -2.502 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.951 -2.894 -1.800 1.00 2.00 C ATOM 0 H ILE A 30 -2.479 -3.214 -5.386 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.824 -5.554 -4.419 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.893 -2.623 -3.732 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.330 -4.905 -2.404 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.610 -3.902 -3.649 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.753 -3.502 -1.594 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.826 -3.945 -2.943 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.714 -5.153 -2.257 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.958 -3.136 -1.421 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.937 -1.898 -2.243 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.668 -2.916 -0.979 1.00 2.00 H new ATOM 490 N GLN A 31 -5.591 -3.603 -6.400 1.00 7.06 N ATOM 491 CA GLN A 31 -6.745 -3.771 -7.256 1.00 8.67 C ATOM 492 C GLN A 31 -6.732 -5.041 -8.100 1.00 10.90 C ATOM 493 O GLN A 31 -7.743 -5.771 -8.155 1.00 9.63 O ATOM 494 CB GLN A 31 -7.104 -2.495 -8.067 1.00 9.12 C ATOM 495 CG GLN A 31 -8.481 -2.420 -8.654 1.00 10.76 C ATOM 496 CD GLN A 31 -8.793 -1.097 -9.345 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.980 -0.212 -9.594 1.00 14.48 O ATOM 498 NE2 GLN A 31 -10.059 -0.849 -9.719 1.00 14.76 N ATOM 0 H GLN A 31 -5.048 -2.761 -6.590 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.571 -3.921 -6.561 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.967 -1.632 -7.416 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.385 -2.398 -8.880 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.602 -3.230 -9.373 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.211 -2.585 -7.862 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.788 -1.541 -9.543 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -10.292 0.031 -10.179 1.00 14.76 H new ATOM 507 N ASP A 32 -5.563 -5.331 -8.713 1.00 10.93 N ATOM 508 CA ASP A 32 -5.369 -6.540 -9.483 1.00 14.01 C ATOM 509 C ASP A 32 -5.566 -7.796 -8.541 1.00 14.04 C ATOM 510 O ASP A 32 -6.384 -8.668 -8.869 1.00 13.39 O ATOM 511 CB ASP A 32 -3.972 -6.550 -10.094 1.00 18.01 C ATOM 512 CG ASP A 32 -3.978 -7.498 -11.249 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.874 -7.403 -12.125 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.099 -8.401 -11.341 1.00 25.17 O ATOM 0 H ASP A 32 -4.743 -4.726 -8.677 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.100 -6.579 -10.291 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.694 -5.549 -10.424 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.234 -6.858 -9.353 1.00 18.01 H new ATOM 519 N LYS A 33 -4.926 -7.793 -7.361 1.00 14.22 N ATOM 520 CA LYS A 33 -5.088 -8.850 -6.293 1.00 14.00 C ATOM 521 C LYS A 33 -6.487 -8.976 -5.662 1.00 12.37 C ATOM 522 O LYS A 33 -7.148 -10.027 -5.666 1.00 12.17 O ATOM 523 CB LYS A 33 -4.116 -8.728 -5.160 1.00 18.62 C ATOM 524 CG LYS A 33 -2.690 -9.022 -5.507 1.00 24.00 C ATOM 525 CD LYS A 33 -2.275 -10.534 -5.455 1.00 27.61 C ATOM 526 CE LYS A 33 -0.789 -10.732 -5.407 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.453 -12.139 -5.281 1.00 30.06 N ATOM 0 H LYS A 33 -4.270 -7.058 -7.097 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.893 -9.746 -6.882 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.174 -7.716 -4.760 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.426 -9.404 -4.363 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.494 -8.645 -6.511 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.047 -8.464 -4.826 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.727 -10.999 -4.579 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.676 -11.046 -6.330 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.336 -10.326 -6.311 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.372 -10.179 -4.565 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.581 -12.248 -5.250 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.867 -12.518 -4.406 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.832 -12.661 -6.097 1.00 30.06 H new ATOM 541 N GLU A 34 -7.010 -7.894 -5.144 1.00 10.11 N ATOM 542 CA GLU A 34 -8.256 -7.944 -4.296 1.00 10.07 C ATOM 543 C GLU A 34 -9.433 -7.253 -4.806 1.00 9.32 C ATOM 544 O GLU A 34 -10.520 -7.324 -4.218 1.00 11.61 O ATOM 545 CB GLU A 34 -7.898 -7.369 -2.891 1.00 14.77 C ATOM 546 CG GLU A 34 -6.765 -8.107 -2.207 1.00 18.75 C ATOM 547 CD GLU A 34 -7.177 -9.538 -1.852 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.137 -9.624 -1.009 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.603 -10.569 -2.305 1.00 25.19 O ATOM 0 H GLU A 34 -6.624 -6.958 -5.271 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.553 -8.993 -4.282 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.626 -6.319 -2.996 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.782 -7.408 -2.255 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.893 -8.127 -2.860 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.473 -7.574 -1.302 1.00 18.75 H new ATOM 556 N GLY A 35 -9.403 -6.568 -5.960 1.00 7.22 N ATOM 557 CA GLY A 35 -10.520 -5.781 -6.556 1.00 6.29 C ATOM 558 C GLY A 35 -10.915 -4.447 -5.946 1.00 6.93 C ATOM 559 O GLY A 35 -12.124 -4.046 -6.079 1.00 7.41 O ATOM 0 H GLY A 35 -8.564 -6.540 -6.539 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.268 -5.599 -7.601 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.405 -6.417 -6.548 1.00 6.29 H new ATOM 563 N ILE A 36 -10.005 -3.887 -5.189 1.00 5.86 N ATOM 564 CA ILE A 36 -10.362 -2.661 -4.397 1.00 6.07 C ATOM 565 C ILE A 36 -9.881 -1.481 -5.167 1.00 6.36 C ATOM 566 O ILE A 36 -8.689 -1.464 -5.514 1.00 6.18 O ATOM 567 CB ILE A 36 -9.710 -2.711 -3.030 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.950 -3.956 -2.192 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.988 -1.379 -2.192 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.806 -4.196 -1.212 1.00 9.49 C ATOM 0 H ILE A 36 -9.045 -4.215 -5.083 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.439 -2.600 -4.242 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.649 -2.777 -3.272 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.886 -3.852 -1.643 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.059 -4.821 -2.846 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.504 -1.454 -1.218 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.588 -0.520 -2.731 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.062 -1.253 -2.055 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.009 -5.094 -0.628 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.875 -4.325 -1.764 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.715 -3.341 -0.542 1.00 9.49 H new ATOM 582 N PRO A 37 -10.682 -0.433 -5.429 1.00 8.65 N ATOM 583 CA PRO A 37 -10.212 0.688 -6.180 1.00 9.18 C ATOM 584 C PRO A 37 -9.225 1.594 -5.409 1.00 9.85 C ATOM 585 O PRO A 37 -9.475 1.725 -4.209 1.00 8.51 O ATOM 586 CB PRO A 37 -11.587 1.446 -6.454 1.00 11.42 C ATOM 587 CG PRO A 37 -12.651 0.356 -6.463 1.00 9.27 C ATOM 588 CD PRO A 37 -12.134 -0.622 -5.427 1.00 8.33 C ATOM 0 HA PRO A 37 -9.640 0.401 -7.062 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.789 2.187 -5.680 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.560 1.978 -7.405 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.633 0.747 -6.197 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.748 -0.107 -7.445 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.558 -0.418 -4.444 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.400 -1.648 -5.683 1.00 8.33 H new ATOM 596 N PRO A 38 -8.159 2.204 -5.888 1.00 8.71 N ATOM 597 CA PRO A 38 -7.235 3.039 -5.158 1.00 9.08 C ATOM 598 C PRO A 38 -7.870 4.177 -4.457 1.00 9.28 C ATOM 599 O PRO A 38 -7.261 4.651 -3.505 1.00 6.50 O ATOM 600 CB PRO A 38 -6.245 3.571 -6.204 1.00 10.31 C ATOM 601 CG PRO A 38 -6.242 2.522 -7.314 1.00 10.81 C ATOM 602 CD PRO A 38 -7.664 1.910 -7.223 1.00 12.00 C ATOM 0 HA PRO A 38 -6.767 2.447 -4.372 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.556 4.545 -6.582 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.250 3.697 -5.777 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.057 2.969 -8.291 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.469 1.770 -7.156 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.319 2.338 -7.982 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.635 0.834 -7.397 1.00 12.00 H new ATOM 610 N ASP A 39 -9.029 4.682 -4.865 1.00 11.20 N ATOM 611 CA ASP A 39 -9.664 5.857 -4.237 1.00 14.96 C ATOM 612 C ASP A 39 -10.304 5.445 -2.948 1.00 13.99 C ATOM 613 O ASP A 39 -10.811 6.296 -2.169 1.00 13.75 O ATOM 614 CB ASP A 39 -10.732 6.495 -5.140 1.00 24.16 C ATOM 615 CG ASP A 39 -10.045 7.237 -6.294 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.146 8.061 -6.001 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.456 7.114 -7.467 1.00 35.55 O ATOM 0 H ASP A 39 -9.564 4.294 -5.642 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.883 6.598 -4.066 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.399 5.727 -5.532 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.347 7.186 -4.563 1.00 24.16 H new ATOM 622 N GLN A 40 -10.457 4.116 -2.717 1.00 11.60 N ATOM 623 CA GLN A 40 -10.913 3.531 -1.474 1.00 10.76 C ATOM 624 C GLN A 40 -9.772 3.063 -0.625 1.00 8.01 C ATOM 625 O GLN A 40 -10.049 2.553 0.498 1.00 8.96 O ATOM 626 CB GLN A 40 -11.802 2.311 -1.739 1.00 11.14 C ATOM 627 CG GLN A 40 -13.121 2.534 -2.465 1.00 14.85 C ATOM 628 CD GLN A 40 -13.992 1.308 -2.531 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.074 0.456 -1.609 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.761 1.202 -3.642 1.00 18.16 N ATOM 0 H GLN A 40 -10.253 3.415 -3.430 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.466 4.315 -0.957 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.220 1.593 -2.316 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.024 1.844 -0.779 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.670 3.332 -1.965 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.914 2.876 -3.479 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.686 1.899 -4.383 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.415 0.425 -3.737 1.00 18.16 H new ATOM 639 N GLN A 41 -8.502 3.298 -1.061 1.00 6.52 N ATOM 640 CA GLN A 41 -7.345 2.742 -0.415 1.00 3.87 C ATOM 641 C GLN A 41 -6.486 3.786 0.184 1.00 4.79 C ATOM 642 O GLN A 41 -6.095 4.741 -0.447 1.00 6.34 O ATOM 643 CB GLN A 41 -6.361 1.904 -1.385 1.00 4.20 C ATOM 644 CG GLN A 41 -7.037 0.560 -1.832 1.00 3.20 C ATOM 645 CD GLN A 41 -6.059 -0.414 -2.546 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.905 -0.594 -2.153 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.377 -0.831 -3.802 1.00 7.13 N ATOM 0 H GLN A 41 -8.284 3.880 -1.870 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.789 2.080 0.328 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.112 2.501 -2.262 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.426 1.692 -0.867 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.457 0.065 -0.957 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.868 0.784 -2.501 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.323 -0.698 -4.159 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.669 -1.277 -4.386 1.00 7.13 H new ATOM 656 N ARG A 42 -6.157 3.568 1.454 1.00 5.73 N ATOM 657 CA ARG A 42 -5.257 4.291 2.291 1.00 6.97 C ATOM 658 C ARG A 42 -4.149 3.308 2.718 1.00 7.15 C ATOM 659 O ARG A 42 -4.478 2.259 3.273 1.00 7.33 O ATOM 660 CB ARG A 42 -6.027 4.996 3.484 1.00 13.23 C ATOM 661 CG ARG A 42 -5.049 5.718 4.421 1.00 21.27 C ATOM 662 CD ARG A 42 -5.719 6.698 5.289 1.00 26.14 C ATOM 663 NE ARG A 42 -6.185 7.862 4.481 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.741 9.013 4.876 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.983 9.226 6.189 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.059 9.895 3.919 1.00 36.39 N ATOM 0 H ARG A 42 -6.573 2.787 1.961 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.785 5.121 1.766 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.747 5.710 3.085 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.593 4.253 4.046 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.534 4.983 5.039 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.288 6.224 3.827 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.566 6.231 5.792 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.034 7.036 6.066 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.061 7.766 3.473 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.742 8.510 6.875 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.407 10.102 6.494 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.875 9.674 2.940 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.485 10.787 4.169 1.00 36.39 H new ATOM 680 N LEU A 43 -2.899 3.579 2.396 1.00 4.65 N ATOM 681 CA LEU A 43 -1.781 2.703 2.764 1.00 3.51 C ATOM 682 C LEU A 43 -1.013 3.356 3.878 1.00 5.56 C ATOM 683 O LEU A 43 -0.503 4.457 3.764 1.00 4.19 O ATOM 684 CB LEU A 43 -0.902 2.332 1.532 1.00 3.74 C ATOM 685 CG LEU A 43 -1.571 1.555 0.479 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.554 1.067 -0.506 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.228 0.329 1.053 1.00 6.41 C ATOM 0 H LEU A 43 -2.620 4.409 1.873 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.159 1.747 3.126 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.521 3.253 1.091 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.039 1.766 1.883 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.311 2.204 0.012 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.051 0.491 -1.287 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.043 1.919 -0.954 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.173 0.435 0.004 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.716 -0.230 0.255 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.474 -0.300 1.527 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.970 0.627 1.794 1.00 6.41 H new ATOM 699 N ILE A 44 -0.968 2.662 5.042 1.00 4.58 N ATOM 700 CA ILE A 44 -0.329 3.103 6.266 1.00 5.55 C ATOM 701 C ILE A 44 0.844 2.250 6.622 1.00 5.46 C ATOM 702 O ILE A 44 0.800 1.007 6.653 1.00 6.04 O ATOM 703 CB ILE A 44 -1.307 3.133 7.392 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.653 3.890 7.115 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.603 3.689 8.684 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.526 5.373 6.832 1.00 13.90 C ATOM 0 H ILE A 44 -1.400 1.743 5.137 1.00 4.58 H new ATOM 0 HA ILE A 44 0.039 4.114 6.090 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.618 2.098 7.532 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.146 3.418 6.265 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.307 3.758 7.977 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.318 3.711 9.507 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.235 3.044 8.948 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.238 4.698 8.494 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.515 5.796 6.655 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.067 5.869 7.688 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.904 5.523 5.949 1.00 13.90 H new ATOM 718 N PHE A 45 2.003 2.906 6.908 1.00 6.75 N ATOM 719 CA PHE A 45 3.254 2.290 7.281 1.00 4.70 C ATOM 720 C PHE A 45 3.821 2.932 8.507 1.00 6.34 C ATOM 721 O PHE A 45 4.086 4.129 8.418 1.00 5.45 O ATOM 722 CB PHE A 45 4.255 2.324 6.121 1.00 5.51 C ATOM 723 CG PHE A 45 5.633 1.719 6.379 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.758 0.388 6.754 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.793 2.538 6.370 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.047 -0.150 6.958 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.048 1.939 6.426 1.00 6.64 C ATOM 728 CZ PHE A 45 8.195 0.565 6.671 1.00 6.84 C ATOM 0 H PHE A 45 2.066 3.924 6.876 1.00 6.75 H new ATOM 0 HA PHE A 45 3.057 1.244 7.514 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.809 1.804 5.273 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.392 3.363 5.821 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.881 -0.227 6.888 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.702 3.613 6.320 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.139 -1.152 7.351 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.929 2.546 6.277 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.163 0.087 6.637 1.00 6.84 H new ATOM 738 N ALA A 46 3.979 2.233 9.663 1.00 6.53 N ATOM 739 CA ALA A 46 4.521 2.844 10.917 1.00 7.15 C ATOM 740 C ALA A 46 3.915 4.156 11.340 1.00 9.00 C ATOM 741 O ALA A 46 4.650 5.077 11.716 1.00 11.15 O ATOM 742 CB ALA A 46 6.035 3.004 10.879 1.00 8.99 C ATOM 0 H ALA A 46 3.740 1.246 9.757 1.00 6.53 H new ATOM 0 HA ALA A 46 4.225 2.111 11.668 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.377 3.452 11.812 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.501 2.027 10.753 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.312 3.648 10.045 1.00 8.99 H new ATOM 748 N GLY A 47 2.573 4.159 11.278 1.00 9.35 N ATOM 749 CA GLY A 47 1.663 5.256 11.479 1.00 11.68 C ATOM 750 C GLY A 47 1.600 6.416 10.482 1.00 11.14 C ATOM 751 O GLY A 47 0.896 7.391 10.675 1.00 13.93 O ATOM 0 H GLY A 47 2.067 3.300 11.064 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.660 4.833 11.541 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.889 5.685 12.455 1.00 11.68 H new ATOM 755 N LYS A 48 2.292 6.271 9.389 1.00 10.47 N ATOM 756 CA LYS A 48 2.552 7.265 8.392 1.00 8.82 C ATOM 757 C LYS A 48 1.905 6.809 7.148 1.00 7.68 C ATOM 758 O LYS A 48 2.266 5.746 6.594 1.00 6.47 O ATOM 759 CB LYS A 48 4.069 7.446 8.192 1.00 9.74 C ATOM 760 CG LYS A 48 4.440 8.585 7.255 1.00 14.14 C ATOM 761 CD LYS A 48 5.972 8.775 7.146 1.00 16.32 C ATOM 762 CE LYS A 48 6.323 10.056 6.380 1.00 20.04 C ATOM 763 NZ LYS A 48 7.727 10.361 6.497 1.00 23.92 N ATOM 0 H LYS A 48 2.725 5.378 9.154 1.00 10.47 H new ATOM 0 HA LYS A 48 2.154 8.233 8.695 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.534 7.622 9.162 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.486 6.518 7.802 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.028 8.388 6.265 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.985 9.509 7.611 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.407 8.815 8.145 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.412 7.915 6.641 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.059 9.939 5.329 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.733 10.888 6.766 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.938 11.232 5.970 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.971 10.495 7.499 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.286 9.576 6.107 1.00 23.92 H new ATOM 777 N GLN A 49 0.954 7.593 6.663 1.00 8.89 N ATOM 778 CA GLN A 49 0.263 7.429 5.354 1.00 7.18 C ATOM 779 C GLN A 49 1.174 7.559 4.169 1.00 8.23 C ATOM 780 O GLN A 49 1.924 8.520 3.975 1.00 9.70 O ATOM 781 CB GLN A 49 -0.858 8.506 5.294 1.00 11.67 C ATOM 782 CG GLN A 49 -1.832 8.409 4.095 1.00 15.82 C ATOM 783 CD GLN A 49 -2.930 9.487 4.194 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.628 9.699 5.188 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.054 10.288 3.134 1.00 20.67 N ATOM 0 H GLN A 49 0.614 8.403 7.180 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.136 6.416 5.296 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.440 8.447 6.214 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.388 9.489 5.276 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.281 8.529 3.162 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.288 7.419 4.070 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.484 10.127 2.303 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.719 11.062 3.154 1.00 20.67 H new ATOM 794 N LEU A 50 1.113 6.550 3.307 1.00 6.51 N ATOM 795 CA LEU A 50 1.954 6.404 2.073 1.00 7.41 C ATOM 796 C LEU A 50 1.250 7.135 0.948 1.00 8.27 C ATOM 797 O LEU A 50 0.150 6.745 0.589 1.00 8.34 O ATOM 798 CB LEU A 50 2.053 4.878 1.657 1.00 7.13 C ATOM 799 CG LEU A 50 2.799 4.094 2.716 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.876 2.558 2.465 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.234 4.664 2.855 1.00 9.11 C ATOM 0 H LEU A 50 0.463 5.774 3.431 1.00 6.51 H new ATOM 0 HA LEU A 50 2.951 6.801 2.262 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.053 4.464 1.525 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.565 4.787 0.699 1.00 7.13 H new ATOM 0 HG LEU A 50 2.224 4.213 3.634 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.429 2.084 3.276 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.868 2.145 2.423 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.385 2.369 1.520 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.776 4.103 3.616 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.754 4.577 1.901 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.182 5.713 3.145 1.00 9.11 H new ATOM 813 N GLU A 51 1.884 8.141 0.392 1.00 9.43 N ATOM 814 CA GLU A 51 1.233 9.080 -0.524 1.00 11.90 C ATOM 815 C GLU A 51 1.425 8.720 -1.976 1.00 11.49 C ATOM 816 O GLU A 51 2.536 8.478 -2.369 1.00 9.88 O ATOM 817 CB GLU A 51 1.537 10.524 -0.343 1.00 16.56 C ATOM 818 CG GLU A 51 0.858 11.097 0.934 1.00 26.06 C ATOM 819 CD GLU A 51 -0.608 11.504 0.738 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.418 10.525 0.688 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.013 12.713 0.694 1.00 32.13 O ATOM 0 H GLU A 51 2.871 8.342 0.556 1.00 9.43 H new ATOM 0 HA GLU A 51 0.189 8.957 -0.234 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.616 10.664 -0.276 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.198 11.080 -1.217 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.913 10.351 1.727 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.422 11.966 1.273 1.00 26.06 H new ATOM 828 N ASP A 52 0.326 8.744 -2.751 1.00 12.71 N ATOM 829 CA ASP A 52 0.063 8.082 -4.017 1.00 16.56 C ATOM 830 C ASP A 52 1.058 8.536 -5.031 1.00 15.83 C ATOM 831 O ASP A 52 1.582 7.717 -5.744 1.00 17.21 O ATOM 832 CB ASP A 52 -1.377 8.386 -4.530 1.00 21.05 C ATOM 833 CG ASP A 52 -2.372 7.905 -3.590 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.598 8.476 -2.458 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.048 6.897 -3.898 1.00 28.37 O ATOM 0 H ASP A 52 -0.483 9.293 -2.462 1.00 12.71 H new ATOM 0 HA ASP A 52 0.148 7.006 -3.862 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.497 9.460 -4.675 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.529 7.914 -5.501 1.00 21.05 H new ATOM 840 N GLY A 53 1.452 9.865 -5.018 1.00 15.00 N ATOM 841 CA GLY A 53 2.427 10.373 -5.914 1.00 11.77 C ATOM 842 C GLY A 53 3.940 10.114 -5.676 1.00 11.10 C ATOM 843 O GLY A 53 4.778 10.708 -6.366 1.00 11.25 O ATOM 0 H GLY A 53 1.075 10.560 -4.374 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.187 9.982 -6.903 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.290 11.454 -5.957 1.00 11.77 H new ATOM 847 N ARG A 54 4.196 9.371 -4.615 1.00 8.53 N ATOM 848 CA ARG A 54 5.552 9.218 -4.122 1.00 9.05 C ATOM 849 C ARG A 54 5.912 7.774 -4.299 1.00 8.96 C ATOM 850 O ARG A 54 5.103 7.026 -4.823 1.00 11.60 O ATOM 851 CB ARG A 54 5.775 9.558 -2.625 1.00 7.97 C ATOM 852 CG ARG A 54 5.237 10.907 -2.121 1.00 9.62 C ATOM 853 CD ARG A 54 5.880 11.447 -0.832 1.00 12.20 C ATOM 854 NE ARG A 54 5.601 12.909 -0.683 1.00 18.23 N ATOM 855 CZ ARG A 54 6.549 13.846 -0.824 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.705 13.670 -1.476 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.233 15.048 -0.269 1.00 23.38 N ATOM 0 H ARG A 54 3.488 8.867 -4.081 1.00 8.53 H new ATOM 0 HA ARG A 54 6.162 9.926 -4.684 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.318 8.768 -2.028 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.847 9.527 -2.428 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.372 11.648 -2.909 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.164 10.810 -1.956 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.490 10.906 0.030 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.956 11.276 -0.856 1.00 12.20 H new ATOM 0 HE ARG A 54 4.650 13.205 -0.465 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.914 12.771 -1.910 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.377 14.435 -1.539 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.337 15.172 0.203 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.892 15.825 -0.325 1.00 23.38 H new ATOM 871 N THR A 55 7.068 7.279 -3.831 1.00 9.05 N ATOM 872 CA THR A 55 7.519 5.852 -3.996 1.00 9.03 C ATOM 873 C THR A 55 7.771 5.135 -2.668 1.00 8.15 C ATOM 874 O THR A 55 7.863 5.657 -1.565 1.00 5.91 O ATOM 875 CB THR A 55 8.718 5.638 -4.994 1.00 11.15 C ATOM 876 OG1 THR A 55 9.943 6.202 -4.464 1.00 11.95 O ATOM 877 CG2 THR A 55 8.355 6.273 -6.368 1.00 11.71 C ATOM 0 H THR A 55 7.739 7.851 -3.318 1.00 9.05 H new ATOM 0 HA THR A 55 6.658 5.380 -4.469 1.00 9.03 H new ATOM 0 HB THR A 55 8.889 4.570 -5.128 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.763 7.097 -4.107 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.181 6.129 -7.065 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.459 5.796 -6.764 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.171 7.340 -6.239 1.00 11.71 H new ATOM 885 N LEU A 56 8.054 3.795 -2.659 1.00 6.91 N ATOM 886 CA LEU A 56 8.431 2.984 -1.552 1.00 8.29 C ATOM 887 C LEU A 56 9.678 3.464 -0.836 1.00 8.05 C ATOM 888 O LEU A 56 9.792 3.748 0.343 1.00 10.17 O ATOM 889 CB LEU A 56 8.565 1.499 -1.980 1.00 6.60 C ATOM 890 CG LEU A 56 7.238 0.888 -2.289 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.457 -0.255 -3.248 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.419 0.382 -1.100 1.00 8.64 C ATOM 0 H LEU A 56 8.008 3.249 -3.519 1.00 6.91 H new ATOM 0 HA LEU A 56 7.625 3.073 -0.824 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.209 1.430 -2.856 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.049 0.934 -1.183 1.00 6.60 H new ATOM 0 HG LEU A 56 6.642 1.700 -2.705 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.499 -0.717 -3.488 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.918 0.120 -4.162 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.112 -0.995 -2.788 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.479 -0.038 -1.458 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.982 -0.387 -0.571 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.212 1.210 -0.422 1.00 8.64 H new ATOM 904 N SER A 57 10.706 3.750 -1.635 1.00 8.92 N ATOM 905 CA SER A 57 12.011 4.379 -1.354 1.00 9.00 C ATOM 906 C SER A 57 11.872 5.712 -0.665 1.00 9.44 C ATOM 907 O SER A 57 12.754 6.030 0.117 1.00 10.91 O ATOM 908 CB SER A 57 12.783 4.647 -2.697 1.00 10.32 C ATOM 909 OG SER A 57 14.124 5.192 -2.538 1.00 13.59 O ATOM 0 H SER A 57 10.641 3.518 -2.626 1.00 8.92 H new ATOM 0 HA SER A 57 12.547 3.685 -0.706 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.851 3.712 -3.252 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.197 5.336 -3.304 1.00 10.32 H new ATOM 0 HG SER A 57 14.530 5.325 -3.420 1.00 13.59 H new ATOM 915 N ASP A 58 10.772 6.472 -0.931 1.00 9.11 N ATOM 916 CA ASP A 58 10.679 7.815 -0.275 1.00 7.91 C ATOM 917 C ASP A 58 10.175 7.704 1.138 1.00 9.12 C ATOM 918 O ASP A 58 10.237 8.715 1.848 1.00 8.61 O ATOM 919 CB ASP A 58 9.737 8.790 -1.043 1.00 8.41 C ATOM 920 CG ASP A 58 10.229 8.934 -2.489 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.387 9.431 -2.610 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.482 8.538 -3.478 1.00 11.70 O ATOM 0 H ASP A 58 9.997 6.212 -1.541 1.00 9.11 H new ATOM 0 HA ASP A 58 11.693 8.214 -0.285 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.715 8.412 -1.030 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.723 9.763 -0.552 1.00 8.41 H new ATOM 927 N TYR A 59 9.728 6.522 1.514 1.00 7.97 N ATOM 928 CA TYR A 59 9.270 6.162 2.894 1.00 8.45 C ATOM 929 C TYR A 59 10.311 5.257 3.565 1.00 10.98 C ATOM 930 O TYR A 59 10.105 4.945 4.701 1.00 12.95 O ATOM 931 CB TYR A 59 7.887 5.561 2.829 1.00 7.94 C ATOM 932 CG TYR A 59 6.900 6.655 2.551 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.213 7.296 3.595 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.455 6.891 1.235 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.223 8.265 3.274 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.453 7.783 0.962 1.00 6.52 C ATOM 937 CZ TYR A 59 4.894 8.567 1.965 1.00 6.76 C ATOM 938 OH TYR A 59 3.897 9.571 1.661 1.00 7.63 O ATOM 0 H TYR A 59 9.661 5.739 0.863 1.00 7.97 H new ATOM 0 HA TYR A 59 9.189 7.051 3.520 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.841 4.803 2.047 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.646 5.065 3.769 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.433 7.057 4.625 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.917 6.354 0.420 1.00 6.98 H new ATOM 0 HE1 TYR A 59 4.714 8.780 4.075 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.090 7.879 -0.051 1.00 6.52 H new ATOM 0 HH TYR A 59 3.126 9.457 2.255 1.00 7.63 H new ATOM 948 N ASN A 60 11.380 4.849 2.831 1.00 12.38 N ATOM 949 CA ASN A 60 12.464 4.074 3.235 1.00 13.94 C ATOM 950 C ASN A 60 12.034 2.633 3.532 1.00 14.16 C ATOM 951 O ASN A 60 12.592 1.990 4.425 1.00 14.26 O ATOM 952 CB ASN A 60 13.325 4.770 4.407 1.00 19.23 C ATOM 953 CG ASN A 60 14.719 4.185 4.559 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.259 3.473 3.686 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.407 4.631 5.672 1.00 24.09 N ATOM 0 H ASN A 60 11.461 5.110 1.848 1.00 12.38 H new ATOM 0 HA ASN A 60 13.160 4.010 2.399 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.407 5.838 4.203 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.790 4.666 5.351 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.387 4.380 5.800 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.934 5.211 6.365 1.00 24.09 H new ATOM 962 N ILE A 61 11.160 2.071 2.638 1.00 11.08 N ATOM 963 CA ILE A 61 10.518 0.754 2.721 1.00 11.78 C ATOM 964 C ILE A 61 11.394 -0.335 2.112 1.00 13.74 C ATOM 965 O ILE A 61 11.640 -0.320 0.903 1.00 14.60 O ATOM 966 CB ILE A 61 9.146 0.767 2.197 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.206 1.777 3.016 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.532 -0.625 2.183 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.880 2.054 2.365 1.00 11.42 C ATOM 0 H ILE A 61 10.880 2.572 1.795 1.00 11.08 H new ATOM 0 HA ILE A 61 10.417 0.505 3.777 1.00 11.78 H new ATOM 0 HB ILE A 61 9.212 1.120 1.168 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.031 1.366 4.010 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.736 2.720 3.150 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.517 -0.571 1.789 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.132 -1.281 1.552 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.506 -1.021 3.198 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.308 2.745 2.984 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.043 2.496 1.382 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.326 1.121 2.256 1.00 11.42 H new ATOM 981 N GLN A 62 11.857 -1.340 2.913 1.00 13.97 N ATOM 982 CA GLN A 62 12.687 -2.433 2.397 1.00 15.52 C ATOM 983 C GLN A 62 11.933 -3.779 2.574 1.00 13.94 C ATOM 984 O GLN A 62 10.771 -3.838 2.988 1.00 12.15 O ATOM 985 CB GLN A 62 14.080 -2.390 3.159 1.00 19.53 C ATOM 986 CG GLN A 62 14.963 -1.213 2.677 1.00 26.38 C ATOM 987 CD GLN A 62 16.277 -1.438 3.420 1.00 30.61 C ATOM 988 OE1 GLN A 62 17.309 -1.934 2.949 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.189 -1.013 4.698 1.00 32.71 N ATOM 0 H GLN A 62 11.662 -1.401 3.912 1.00 13.97 H new ATOM 0 HA GLN A 62 12.884 -2.327 1.330 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.905 -2.298 4.231 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.609 -3.330 3.002 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.103 -1.231 1.596 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.520 -0.249 2.925 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.317 -0.610 5.043 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.994 -1.094 5.319 1.00 32.71 H new ATOM 998 N LYS A 63 12.580 -4.905 2.141 1.00 11.73 N ATOM 999 CA LYS A 63 12.022 -6.266 2.027 1.00 11.97 C ATOM 1000 C LYS A 63 11.588 -6.837 3.366 1.00 10.41 C ATOM 1001 O LYS A 63 12.258 -6.671 4.370 1.00 9.59 O ATOM 1002 CB LYS A 63 13.040 -7.232 1.333 1.00 13.73 C ATOM 1003 CG LYS A 63 14.442 -7.228 1.881 1.00 16.98 C ATOM 1004 CD LYS A 63 15.399 -8.160 1.117 1.00 20.19 C ATOM 1005 CE LYS A 63 16.792 -8.284 1.666 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.823 -8.877 3.016 1.00 25.97 N ATOM 0 H LYS A 63 13.557 -4.871 1.850 1.00 11.73 H new ATOM 0 HA LYS A 63 11.129 -6.181 1.407 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.649 -8.247 1.401 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.086 -6.978 0.274 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.834 -6.211 1.849 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.415 -7.526 2.929 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.954 -9.155 1.086 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.468 -7.809 0.087 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.390 -8.896 0.991 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.255 -7.298 1.697 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.810 -8.970 3.332 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.304 -8.264 3.677 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.377 -9.816 2.993 1.00 25.97 H new ATOM 1020 N GLU A 64 10.424 -7.480 3.380 1.00 10.04 N ATOM 1021 CA GLU A 64 9.756 -8.139 4.432 1.00 10.94 C ATOM 1022 C GLU A 64 9.133 -7.181 5.468 1.00 9.74 C ATOM 1023 O GLU A 64 9.031 -7.476 6.657 1.00 9.42 O ATOM 1024 CB GLU A 64 10.657 -9.262 5.126 1.00 18.31 C ATOM 1025 CG GLU A 64 11.211 -10.302 4.114 1.00 24.16 C ATOM 1026 CD GLU A 64 11.663 -11.546 4.960 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.822 -12.369 5.385 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.903 -11.582 5.197 1.00 31.72 O ATOM 0 H GLU A 64 9.876 -7.542 2.522 1.00 10.04 H new ATOM 0 HA GLU A 64 8.918 -8.649 3.957 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.490 -8.785 5.642 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.067 -9.778 5.883 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.448 -10.582 3.388 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.049 -9.889 3.552 1.00 24.16 H new ATOM 1035 N SER A 65 8.652 -6.042 4.979 1.00 6.85 N ATOM 1036 CA SER A 65 7.969 -5.029 5.836 1.00 6.90 C ATOM 1037 C SER A 65 6.452 -5.071 5.828 1.00 4.72 C ATOM 1038 O SER A 65 5.825 -5.389 4.844 1.00 3.91 O ATOM 1039 CB SER A 65 8.404 -3.564 5.500 1.00 7.28 C ATOM 1040 OG SER A 65 9.816 -3.479 5.482 1.00 10.56 O ATOM 0 H SER A 65 8.714 -5.780 3.995 1.00 6.85 H new ATOM 0 HA SER A 65 8.300 -5.318 6.833 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.000 -3.267 4.532 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.998 -2.875 6.240 1.00 7.28 H new ATOM 0 HG SER A 65 10.131 -3.470 4.554 1.00 10.56 H new ATOM 1046 N THR A 66 5.780 -4.726 6.932 1.00 4.48 N ATOM 1047 CA THR A 66 4.313 -4.862 7.062 1.00 3.80 C ATOM 1048 C THR A 66 3.780 -3.502 6.763 1.00 4.60 C ATOM 1049 O THR A 66 3.831 -2.567 7.590 1.00 5.33 O ATOM 1050 CB THR A 66 3.910 -5.201 8.512 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.139 -6.539 8.887 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.342 -5.160 8.702 1.00 3.40 C ATOM 0 H THR A 66 6.231 -4.344 7.763 1.00 4.48 H new ATOM 0 HA THR A 66 3.938 -5.649 6.408 1.00 3.80 H new ATOM 0 HB THR A 66 4.494 -4.477 9.081 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.860 -6.670 9.817 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.094 -5.404 9.735 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.973 -4.162 8.466 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.876 -5.886 8.036 1.00 3.40 H new ATOM 1060 N LEU A 67 3.100 -3.329 5.607 1.00 4.17 N ATOM 1061 CA LEU A 67 2.273 -2.169 5.216 1.00 3.85 C ATOM 1062 C LEU A 67 0.902 -2.517 5.735 1.00 3.80 C ATOM 1063 O LEU A 67 0.561 -3.677 5.878 1.00 5.54 O ATOM 1064 CB LEU A 67 2.221 -1.927 3.674 1.00 7.18 C ATOM 1065 CG LEU A 67 3.392 -1.104 3.187 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.681 -1.800 3.402 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.313 -0.934 1.627 1.00 11.66 C ATOM 0 H LEU A 67 3.116 -4.042 4.878 1.00 4.17 H new ATOM 0 HA LEU A 67 2.684 -1.245 5.622 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.213 -2.887 3.157 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.291 -1.420 3.418 1.00 7.18 H new ATOM 0 HG LEU A 67 3.344 -0.162 3.733 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.497 -1.175 3.039 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.818 -1.992 4.466 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.679 -2.746 2.860 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.160 -0.340 1.282 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.341 -1.915 1.152 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.384 -0.429 1.363 1.00 11.66 H new ATOM 1079 N HIS A 68 0.104 -1.495 6.080 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.281 -1.623 6.505 1.00 4.17 C ATOM 1081 C HIS A 68 -2.105 -1.030 5.423 1.00 5.32 C ATOM 1082 O HIS A 68 -1.845 0.032 4.966 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.657 -0.963 7.863 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.793 -1.413 9.068 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.490 -1.043 9.254 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.120 -2.349 10.000 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.904 -1.835 10.278 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.076 -2.676 10.723 1.00 16.30 N ATOM 0 H HIS A 68 0.425 -0.527 6.067 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.462 -2.684 6.678 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.575 0.119 7.760 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.702 -1.184 8.081 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.108 -2.767 10.127 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.900 -1.803 10.695 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.011 -3.391 11.448 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.210 -1.713 5.146 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.217 -1.288 4.243 1.00 3.97 C ATOM 1098 C LEU A 69 -5.365 -0.737 5.098 1.00 5.07 C ATOM 1099 O LEU A 69 -5.837 -1.487 5.917 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.778 -2.440 3.349 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.972 -2.101 2.477 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.670 -1.109 1.347 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.448 -3.436 1.800 1.00 9.96 C ATOM 0 H LEU A 69 -3.416 -2.615 5.575 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.785 -0.551 3.566 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.974 -2.793 2.704 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.055 -3.271 3.998 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.715 -1.635 3.124 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.578 -0.923 0.774 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.311 -0.172 1.772 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.906 -1.526 0.691 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.308 -3.234 1.162 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.638 -3.847 1.197 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.728 -4.155 2.570 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.834 0.519 4.861 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.991 0.998 5.536 1.00 6.26 C ATOM 1117 C VAL A 70 -8.024 1.341 4.406 1.00 9.22 C ATOM 1118 O VAL A 70 -7.741 2.082 3.428 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.719 2.233 6.368 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.094 2.819 6.919 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.736 1.783 7.468 1.00 8.54 C ATOM 0 H VAL A 70 -5.410 1.181 4.211 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.353 0.243 6.234 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.271 3.051 5.805 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.897 3.708 7.518 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.739 3.082 6.081 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.588 2.068 7.536 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.495 2.631 8.109 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.194 0.995 8.065 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.823 1.405 7.008 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.227 0.731 4.468 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.331 1.032 3.573 1.00 16.06 C ATOM 1133 C LEU A 71 -11.119 2.202 4.113 1.00 18.09 C ATOM 1134 O LEU A 71 -11.645 2.129 5.281 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.322 -0.084 3.178 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.605 -1.301 2.536 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.646 -2.393 2.173 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.805 -0.760 1.332 1.00 19.57 C ATOM 0 H LEU A 71 -9.447 0.009 5.154 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.806 1.234 2.639 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.870 -0.411 4.062 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.056 0.315 2.478 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.908 -1.790 3.217 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.137 -3.245 1.723 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.165 -2.716 3.076 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.368 -1.986 1.465 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.280 -1.582 0.845 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.488 -0.293 0.622 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.081 -0.022 1.678 1.00 19.57 H new