USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 657 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 13 SER OG : rot 143:sc= 0.0468 USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0.689 USER MOD Set 2.1: A 63 GLN : amide:sc= -2.48 K(o=-2.2,f=-7.8!) USER MOD Set 2.2: A 65 TYR OH : rot 165:sc= 0.254 USER MOD Set 3.1: A 44 THR OG1 : rot 101:sc= 0.257 USER MOD Set 3.2: A 67 SER OG : rot 50:sc= 0.604 USER MOD Single : A 12 MET CE :methyl -119:sc= -0.166 (180deg=-0.78) USER MOD Single : A 16 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.0984) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -146:sc=0.000459 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.333 X(o=-0.33,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.132) USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00236 USER MOD Single : A 51 SER OG : rot 26:sc= 0.534 USER MOD Single : A 55 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.0224) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.0154) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 8 78.532 10.546 -19.153 1.00 0.00 N ATOM 2 CA GLU A 8 78.224 9.465 -18.167 1.00 0.00 C ATOM 3 C GLU A 8 77.825 8.179 -18.895 1.00 0.00 C ATOM 4 O GLU A 8 76.886 8.169 -19.673 1.00 0.00 O ATOM 5 CB GLU A 8 77.050 10.000 -17.345 1.00 0.00 C ATOM 6 CG GLU A 8 77.516 11.184 -16.495 1.00 0.00 C ATOM 7 CD GLU A 8 76.360 11.672 -15.619 1.00 0.00 C ATOM 8 OE1 GLU A 8 75.472 12.317 -16.151 1.00 0.00 O ATOM 9 OE2 GLU A 8 76.383 11.391 -14.432 1.00 0.00 O ATOM 0 HA GLU A 8 79.083 9.222 -17.542 1.00 0.00 H new ATOM 0 HB2 GLU A 8 76.241 10.310 -18.007 1.00 0.00 H new ATOM 0 HB3 GLU A 8 76.653 9.213 -16.704 1.00 0.00 H new ATOM 0 HG2 GLU A 8 78.359 10.887 -15.871 1.00 0.00 H new ATOM 0 HG3 GLU A 8 77.865 11.992 -17.138 1.00 0.00 H new ATOM 16 N GLY A 9 78.537 7.101 -18.645 1.00 0.00 N ATOM 17 CA GLY A 9 78.199 5.790 -19.280 1.00 0.00 C ATOM 18 C GLY A 9 78.589 4.651 -18.336 1.00 0.00 C ATOM 19 O GLY A 9 79.525 3.915 -18.601 1.00 0.00 O ATOM 0 H GLY A 9 79.344 7.077 -18.022 1.00 0.00 H new ATOM 0 HA2 GLY A 9 77.133 5.745 -19.501 1.00 0.00 H new ATOM 0 HA3 GLY A 9 78.725 5.687 -20.229 1.00 0.00 H new ATOM 23 N VAL A 10 77.874 4.503 -17.242 1.00 0.00 N ATOM 24 CA VAL A 10 78.221 3.457 -16.225 1.00 0.00 C ATOM 25 C VAL A 10 76.928 2.936 -15.579 1.00 0.00 C ATOM 26 O VAL A 10 75.948 3.653 -15.483 1.00 0.00 O ATOM 27 CB VAL A 10 79.122 4.157 -15.186 1.00 0.00 C ATOM 28 CG1 VAL A 10 79.548 3.163 -14.096 1.00 0.00 C ATOM 29 CG2 VAL A 10 80.386 4.703 -15.860 1.00 0.00 C ATOM 0 H VAL A 10 77.057 5.068 -17.010 1.00 0.00 H new ATOM 0 HA VAL A 10 78.736 2.602 -16.663 1.00 0.00 H new ATOM 0 HB VAL A 10 78.553 4.975 -14.743 1.00 0.00 H new ATOM 0 HG11 VAL A 10 80.183 3.670 -13.370 1.00 0.00 H new ATOM 0 HG12 VAL A 10 78.663 2.772 -13.594 1.00 0.00 H new ATOM 0 HG13 VAL A 10 80.101 2.340 -14.550 1.00 0.00 H new ATOM 0 HG21 VAL A 10 81.012 5.194 -15.115 1.00 0.00 H new ATOM 0 HG22 VAL A 10 80.940 3.882 -16.315 1.00 0.00 H new ATOM 0 HG23 VAL A 10 80.106 5.422 -16.630 1.00 0.00 H new ATOM 39 N ILE A 11 76.934 1.698 -15.140 1.00 0.00 N ATOM 40 CA ILE A 11 75.728 1.113 -14.467 1.00 0.00 C ATOM 41 C ILE A 11 75.802 1.394 -12.960 1.00 0.00 C ATOM 42 O ILE A 11 76.875 1.418 -12.384 1.00 0.00 O ATOM 43 CB ILE A 11 75.779 -0.407 -14.751 1.00 0.00 C ATOM 44 CG1 ILE A 11 75.812 -0.689 -16.273 1.00 0.00 C ATOM 45 CG2 ILE A 11 74.560 -1.107 -14.128 1.00 0.00 C ATOM 46 CD1 ILE A 11 74.581 -0.100 -16.984 1.00 0.00 C ATOM 0 H ILE A 11 77.729 1.063 -15.220 1.00 0.00 H new ATOM 0 HA ILE A 11 74.797 1.544 -14.835 1.00 0.00 H new ATOM 0 HB ILE A 11 76.692 -0.799 -14.303 1.00 0.00 H new ATOM 0 HG12 ILE A 11 76.719 -0.264 -16.703 1.00 0.00 H new ATOM 0 HG13 ILE A 11 75.852 -1.765 -16.444 1.00 0.00 H new ATOM 0 HG21 ILE A 11 74.609 -2.176 -14.336 1.00 0.00 H new ATOM 0 HG22 ILE A 11 74.560 -0.946 -13.050 1.00 0.00 H new ATOM 0 HG23 ILE A 11 73.646 -0.696 -14.556 1.00 0.00 H new ATOM 0 HD11 ILE A 11 74.638 -0.317 -18.051 1.00 0.00 H new ATOM 0 HD12 ILE A 11 73.675 -0.544 -16.571 1.00 0.00 H new ATOM 0 HD13 ILE A 11 74.556 0.979 -16.834 1.00 0.00 H new ATOM 58 N MET A 12 74.666 1.606 -12.333 1.00 0.00 N ATOM 59 CA MET A 12 74.642 1.904 -10.866 1.00 0.00 C ATOM 60 C MET A 12 73.391 1.296 -10.216 1.00 0.00 C ATOM 61 O MET A 12 72.276 1.620 -10.587 1.00 0.00 O ATOM 62 CB MET A 12 74.648 3.440 -10.757 1.00 0.00 C ATOM 63 CG MET A 12 73.425 4.054 -11.457 1.00 0.00 C ATOM 64 SD MET A 12 73.707 5.822 -11.723 1.00 0.00 S ATOM 65 CE MET A 12 74.872 5.660 -13.099 1.00 0.00 C ATOM 0 H MET A 12 73.749 1.585 -12.780 1.00 0.00 H new ATOM 0 HA MET A 12 75.496 1.472 -10.344 1.00 0.00 H new ATOM 0 HB2 MET A 12 74.653 3.732 -9.707 1.00 0.00 H new ATOM 0 HB3 MET A 12 75.561 3.835 -11.203 1.00 0.00 H new ATOM 0 HG2 MET A 12 73.250 3.555 -12.410 1.00 0.00 H new ATOM 0 HG3 MET A 12 72.532 3.904 -10.850 1.00 0.00 H new ATOM 0 HE1 MET A 12 75.829 6.102 -12.820 1.00 0.00 H new ATOM 0 HE2 MET A 12 75.014 4.605 -13.333 1.00 0.00 H new ATOM 0 HE3 MET A 12 74.476 6.176 -13.974 1.00 0.00 H new ATOM 75 N SER A 13 73.582 0.421 -9.255 1.00 0.00 N ATOM 76 CA SER A 13 72.426 -0.178 -8.517 1.00 0.00 C ATOM 77 C SER A 13 72.227 0.542 -7.182 1.00 0.00 C ATOM 78 O SER A 13 73.165 1.077 -6.617 1.00 0.00 O ATOM 79 CB SER A 13 72.817 -1.639 -8.288 1.00 0.00 C ATOM 80 OG SER A 13 74.054 -1.690 -7.590 1.00 0.00 O ATOM 0 H SER A 13 74.499 0.095 -8.949 1.00 0.00 H new ATOM 0 HA SER A 13 71.490 -0.090 -9.069 1.00 0.00 H new ATOM 0 HB2 SER A 13 72.042 -2.149 -7.716 1.00 0.00 H new ATOM 0 HB3 SER A 13 72.903 -2.158 -9.242 1.00 0.00 H new ATOM 0 HG SER A 13 74.043 -2.439 -6.958 1.00 0.00 H new ATOM 86 N GLU A 14 71.012 0.552 -6.678 1.00 0.00 N ATOM 87 CA GLU A 14 70.704 1.332 -5.440 1.00 0.00 C ATOM 88 C GLU A 14 69.565 0.679 -4.650 1.00 0.00 C ATOM 89 O GLU A 14 68.672 0.077 -5.219 1.00 0.00 O ATOM 90 CB GLU A 14 70.281 2.716 -5.938 1.00 0.00 C ATOM 91 CG GLU A 14 71.518 3.598 -6.121 1.00 0.00 C ATOM 92 CD GLU A 14 71.092 4.997 -6.573 1.00 0.00 C ATOM 93 OE1 GLU A 14 70.247 5.085 -7.448 1.00 0.00 O ATOM 94 OE2 GLU A 14 71.619 5.956 -6.035 1.00 0.00 O ATOM 0 H GLU A 14 70.219 0.049 -7.076 1.00 0.00 H new ATOM 0 HA GLU A 14 71.561 1.378 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 14 69.744 2.625 -6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 14 69.596 3.176 -5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 14 72.073 3.661 -5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 14 72.187 3.155 -6.859 1.00 0.00 H new ATOM 101 N LEU A 15 69.607 0.799 -3.341 1.00 0.00 N ATOM 102 CA LEU A 15 68.470 0.343 -2.484 1.00 0.00 C ATOM 103 C LEU A 15 68.000 1.493 -1.586 1.00 0.00 C ATOM 104 O LEU A 15 68.766 2.023 -0.800 1.00 0.00 O ATOM 105 CB LEU A 15 69.051 -0.794 -1.640 1.00 0.00 C ATOM 106 CG LEU A 15 67.926 -1.721 -1.177 1.00 0.00 C ATOM 107 CD1 LEU A 15 68.528 -3.016 -0.628 1.00 0.00 C ATOM 108 CD2 LEU A 15 67.118 -1.033 -0.076 1.00 0.00 C ATOM 0 H LEU A 15 70.392 1.199 -2.827 1.00 0.00 H new ATOM 0 HA LEU A 15 67.608 0.020 -3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 15 69.781 -1.356 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 15 69.578 -0.386 -0.777 1.00 0.00 H new ATOM 0 HG LEU A 15 67.274 -1.949 -2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 15 67.728 -3.678 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 15 69.106 -3.508 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 15 69.180 -2.786 0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 15 66.316 -1.694 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 15 67.771 -0.806 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 15 66.690 -0.108 -0.463 1.00 0.00 H new ATOM 120 N LYS A 16 66.749 1.879 -1.706 1.00 0.00 N ATOM 121 CA LYS A 16 66.201 2.989 -0.865 1.00 0.00 C ATOM 122 C LYS A 16 65.316 2.425 0.251 1.00 0.00 C ATOM 123 O LYS A 16 64.348 1.731 -0.012 1.00 0.00 O ATOM 124 CB LYS A 16 65.372 3.846 -1.831 1.00 0.00 C ATOM 125 CG LYS A 16 66.251 4.939 -2.451 1.00 0.00 C ATOM 126 CD LYS A 16 67.285 4.308 -3.387 1.00 0.00 C ATOM 127 CE LYS A 16 68.013 5.408 -4.163 1.00 0.00 C ATOM 128 NZ LYS A 16 67.113 5.731 -5.305 1.00 0.00 N ATOM 0 H LYS A 16 66.081 1.467 -2.357 1.00 0.00 H new ATOM 0 HA LYS A 16 66.988 3.566 -0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 16 64.950 3.218 -2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.534 4.299 -1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 16 65.632 5.646 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 16 66.755 5.502 -1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 16 68.000 3.720 -2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 16 66.794 3.624 -4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 16 68.187 6.283 -3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 16 68.987 5.066 -4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 67.535 5.381 -6.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 66.189 5.276 -5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 66.986 6.761 -5.366 1.00 0.00 H new ATOM 142 N LEU A 17 65.651 2.729 1.487 1.00 0.00 N ATOM 143 CA LEU A 17 64.841 2.244 2.650 1.00 0.00 C ATOM 144 C LEU A 17 64.171 3.421 3.364 1.00 0.00 C ATOM 145 O LEU A 17 64.650 4.539 3.306 1.00 0.00 O ATOM 146 CB LEU A 17 65.843 1.572 3.592 1.00 0.00 C ATOM 147 CG LEU A 17 66.403 0.309 2.938 1.00 0.00 C ATOM 148 CD1 LEU A 17 67.684 -0.111 3.661 1.00 0.00 C ATOM 149 CD2 LEU A 17 65.371 -0.819 3.034 1.00 0.00 C ATOM 0 H LEU A 17 66.459 3.298 1.739 1.00 0.00 H new ATOM 0 HA LEU A 17 64.052 1.563 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 17 66.654 2.261 3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 17 65.357 1.320 4.534 1.00 0.00 H new ATOM 0 HG LEU A 17 66.624 0.510 1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 17 68.085 -1.012 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 17 68.419 0.691 3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 17 67.461 -0.312 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 17 65.771 -1.719 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 17 65.150 -1.021 4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 17 64.457 -0.520 2.521 1.00 0.00 H new ATOM 161 N LYS A 18 63.069 3.167 4.032 1.00 0.00 N ATOM 162 CA LYS A 18 62.457 4.195 4.931 1.00 0.00 C ATOM 163 C LYS A 18 62.199 3.583 6.323 1.00 0.00 C ATOM 164 O LYS A 18 61.632 2.507 6.398 1.00 0.00 O ATOM 165 CB LYS A 18 61.135 4.570 4.259 1.00 0.00 C ATOM 166 CG LYS A 18 60.514 5.768 4.980 1.00 0.00 C ATOM 167 CD LYS A 18 59.511 6.457 4.053 1.00 0.00 C ATOM 168 CE LYS A 18 58.849 7.622 4.792 1.00 0.00 C ATOM 169 NZ LYS A 18 57.550 7.830 4.095 1.00 0.00 N ATOM 0 H LYS A 18 62.564 2.282 3.991 1.00 0.00 H new ATOM 0 HA LYS A 18 63.101 5.063 5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 18 61.305 4.812 3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 18 60.450 3.723 4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 18 60.016 5.439 5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 18 61.292 6.471 5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 18 60.017 6.820 3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 18 58.755 5.744 3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 18 58.699 7.387 5.846 1.00 0.00 H new ATOM 0 HE3 LYS A 18 59.468 8.519 4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 57.036 8.614 4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 57.725 8.059 3.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 56.980 6.962 4.157 1.00 0.00 H new ATOM 183 N PRO A 19 62.615 4.264 7.388 1.00 0.00 N ATOM 184 CA PRO A 19 62.320 3.764 8.759 1.00 0.00 C ATOM 185 C PRO A 19 60.853 4.023 9.114 1.00 0.00 C ATOM 186 O PRO A 19 60.329 5.092 8.850 1.00 0.00 O ATOM 187 CB PRO A 19 63.247 4.585 9.653 1.00 0.00 C ATOM 188 CG PRO A 19 63.488 5.851 8.901 1.00 0.00 C ATOM 189 CD PRO A 19 63.385 5.526 7.436 1.00 0.00 C ATOM 0 HA PRO A 19 62.477 2.691 8.866 1.00 0.00 H new ATOM 0 HB2 PRO A 19 62.788 4.783 10.622 1.00 0.00 H new ATOM 0 HB3 PRO A 19 64.181 4.056 9.845 1.00 0.00 H new ATOM 0 HG2 PRO A 19 62.756 6.609 9.179 1.00 0.00 H new ATOM 0 HG3 PRO A 19 64.472 6.257 9.137 1.00 0.00 H new ATOM 0 HD2 PRO A 19 62.879 6.321 6.888 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.371 5.407 6.986 1.00 0.00 H new ATOM 197 N LEU A 20 60.196 3.050 9.706 1.00 0.00 N ATOM 198 CA LEU A 20 58.779 3.249 10.163 1.00 0.00 C ATOM 199 C LEU A 20 58.667 4.126 11.448 1.00 0.00 C ATOM 200 O LEU A 20 57.860 5.040 11.422 1.00 0.00 O ATOM 201 CB LEU A 20 58.164 1.847 10.335 1.00 0.00 C ATOM 202 CG LEU A 20 58.120 1.137 8.979 1.00 0.00 C ATOM 203 CD1 LEU A 20 57.796 -0.344 9.188 1.00 0.00 C ATOM 204 CD2 LEU A 20 57.041 1.776 8.102 1.00 0.00 C ATOM 0 H LEU A 20 60.581 2.124 9.893 1.00 0.00 H new ATOM 0 HA LEU A 20 58.221 3.816 9.418 1.00 0.00 H new ATOM 0 HB2 LEU A 20 58.753 1.264 11.043 1.00 0.00 H new ATOM 0 HB3 LEU A 20 57.158 1.928 10.748 1.00 0.00 H new ATOM 0 HG LEU A 20 59.089 1.231 8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 20 57.765 -0.849 8.223 1.00 0.00 H new ATOM 0 HD12 LEU A 20 58.565 -0.800 9.812 1.00 0.00 H new ATOM 0 HD13 LEU A 20 56.827 -0.439 9.679 1.00 0.00 H new ATOM 0 HD21 LEU A 20 57.010 1.270 7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 20 56.072 1.683 8.592 1.00 0.00 H new ATOM 0 HD23 LEU A 20 57.272 2.831 7.952 1.00 0.00 H new ATOM 216 N PRO A 21 59.423 3.882 12.539 1.00 0.00 N ATOM 217 CA PRO A 21 59.476 4.906 13.628 1.00 0.00 C ATOM 218 C PRO A 21 60.263 6.132 13.155 1.00 0.00 C ATOM 219 O PRO A 21 60.993 6.063 12.181 1.00 0.00 O ATOM 220 CB PRO A 21 60.201 4.204 14.777 1.00 0.00 C ATOM 221 CG PRO A 21 61.014 3.142 14.121 1.00 0.00 C ATOM 222 CD PRO A 21 60.251 2.706 12.903 1.00 0.00 C ATOM 0 HA PRO A 21 58.489 5.262 13.924 1.00 0.00 H new ATOM 0 HB2 PRO A 21 60.832 4.900 15.331 1.00 0.00 H new ATOM 0 HB3 PRO A 21 59.494 3.778 15.489 1.00 0.00 H new ATOM 0 HG2 PRO A 21 61.998 3.522 13.846 1.00 0.00 H new ATOM 0 HG3 PRO A 21 61.174 2.303 14.798 1.00 0.00 H new ATOM 0 HD2 PRO A 21 60.924 2.429 12.092 1.00 0.00 H new ATOM 0 HD3 PRO A 21 59.631 1.835 13.114 1.00 0.00 H new ATOM 230 N LYS A 22 60.115 7.244 13.840 1.00 0.00 N ATOM 231 CA LYS A 22 60.864 8.486 13.456 1.00 0.00 C ATOM 232 C LYS A 22 62.272 8.460 14.066 1.00 0.00 C ATOM 233 O LYS A 22 62.481 8.910 15.181 1.00 0.00 O ATOM 234 CB LYS A 22 60.047 9.652 14.023 1.00 0.00 C ATOM 235 CG LYS A 22 60.597 10.973 13.482 1.00 0.00 C ATOM 236 CD LYS A 22 60.146 11.158 12.032 1.00 0.00 C ATOM 237 CE LYS A 22 60.581 12.536 11.532 1.00 0.00 C ATOM 238 NZ LYS A 22 59.613 12.877 10.453 1.00 0.00 N ATOM 0 H LYS A 22 59.505 7.345 14.651 1.00 0.00 H new ATOM 0 HA LYS A 22 60.985 8.575 12.376 1.00 0.00 H new ATOM 0 HB2 LYS A 22 58.998 9.543 13.747 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.093 9.646 15.112 1.00 0.00 H new ATOM 0 HG2 LYS A 22 60.243 11.804 14.093 1.00 0.00 H new ATOM 0 HG3 LYS A 22 61.686 10.976 13.539 1.00 0.00 H new ATOM 0 HD2 LYS A 22 60.578 10.379 11.404 1.00 0.00 H new ATOM 0 HD3 LYS A 22 59.063 11.060 11.962 1.00 0.00 H new ATOM 0 HE2 LYS A 22 60.554 13.274 12.334 1.00 0.00 H new ATOM 0 HE3 LYS A 22 61.603 12.514 11.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 60.096 13.427 9.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 59.232 12.002 10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 58.834 13.440 10.851 1.00 0.00 H new ATOM 252 N VAL A 23 63.230 7.933 13.336 1.00 0.00 N ATOM 253 CA VAL A 23 64.636 7.861 13.846 1.00 0.00 C ATOM 254 C VAL A 23 65.632 8.012 12.683 1.00 0.00 C ATOM 255 O VAL A 23 65.385 7.542 11.586 1.00 0.00 O ATOM 256 CB VAL A 23 64.744 6.483 14.532 1.00 0.00 C ATOM 257 CG1 VAL A 23 64.514 5.343 13.529 1.00 0.00 C ATOM 258 CG2 VAL A 23 66.130 6.326 15.167 1.00 0.00 C ATOM 0 H VAL A 23 63.095 7.547 12.402 1.00 0.00 H new ATOM 0 HA VAL A 23 64.874 8.662 14.546 1.00 0.00 H new ATOM 0 HB VAL A 23 63.974 6.429 15.301 1.00 0.00 H new ATOM 0 HG11 VAL A 23 64.596 4.385 14.042 1.00 0.00 H new ATOM 0 HG12 VAL A 23 63.519 5.437 13.093 1.00 0.00 H new ATOM 0 HG13 VAL A 23 65.263 5.397 12.739 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.201 5.351 15.650 1.00 0.00 H new ATOM 0 HG22 VAL A 23 66.895 6.405 14.395 1.00 0.00 H new ATOM 0 HG23 VAL A 23 66.281 7.110 15.909 1.00 0.00 H new ATOM 268 N GLU A 24 66.747 8.664 12.928 1.00 0.00 N ATOM 269 CA GLU A 24 67.804 8.811 11.878 1.00 0.00 C ATOM 270 C GLU A 24 69.137 8.260 12.392 1.00 0.00 C ATOM 271 O GLU A 24 69.593 8.634 13.459 1.00 0.00 O ATOM 272 CB GLU A 24 67.907 10.316 11.626 1.00 0.00 C ATOM 273 CG GLU A 24 66.622 10.815 10.962 1.00 0.00 C ATOM 274 CD GLU A 24 66.748 12.310 10.664 1.00 0.00 C ATOM 275 OE1 GLU A 24 66.642 13.090 11.596 1.00 0.00 O ATOM 276 OE2 GLU A 24 66.948 12.649 9.509 1.00 0.00 O ATOM 0 H GLU A 24 66.970 9.104 13.821 1.00 0.00 H new ATOM 0 HA GLU A 24 67.562 8.262 10.968 1.00 0.00 H new ATOM 0 HB2 GLU A 24 68.070 10.842 12.567 1.00 0.00 H new ATOM 0 HB3 GLU A 24 68.765 10.530 10.988 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.439 10.264 10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.769 10.634 11.616 1.00 0.00 H new ATOM 283 N LEU A 25 69.756 7.379 11.637 1.00 0.00 N ATOM 284 CA LEU A 25 71.050 6.766 12.076 1.00 0.00 C ATOM 285 C LEU A 25 72.240 7.571 11.516 1.00 0.00 C ATOM 286 O LEU A 25 72.161 8.046 10.398 1.00 0.00 O ATOM 287 CB LEU A 25 71.043 5.350 11.493 1.00 0.00 C ATOM 288 CG LEU A 25 70.180 4.441 12.369 1.00 0.00 C ATOM 289 CD1 LEU A 25 69.906 3.130 11.629 1.00 0.00 C ATOM 290 CD2 LEU A 25 70.919 4.143 13.675 1.00 0.00 C ATOM 0 H LEU A 25 69.416 7.058 10.730 1.00 0.00 H new ATOM 0 HA LEU A 25 71.151 6.759 13.161 1.00 0.00 H new ATOM 0 HB2 LEU A 25 70.655 5.367 10.475 1.00 0.00 H new ATOM 0 HB3 LEU A 25 72.060 4.962 11.440 1.00 0.00 H new ATOM 0 HG LEU A 25 69.235 4.938 12.590 1.00 0.00 H new ATOM 0 HD11 LEU A 25 69.291 2.482 12.253 1.00 0.00 H new ATOM 0 HD12 LEU A 25 69.381 3.341 10.697 1.00 0.00 H new ATOM 0 HD13 LEU A 25 70.850 2.632 11.409 1.00 0.00 H new ATOM 0 HD21 LEU A 25 70.305 3.495 14.301 1.00 0.00 H new ATOM 0 HD22 LEU A 25 71.863 3.645 13.453 1.00 0.00 H new ATOM 0 HD23 LEU A 25 71.116 5.076 14.203 1.00 0.00 H new ATOM 302 N PRO A 26 73.312 7.710 12.293 1.00 0.00 N ATOM 303 CA PRO A 26 74.532 8.424 11.797 1.00 0.00 C ATOM 304 C PRO A 26 75.098 7.769 10.516 1.00 0.00 C ATOM 305 O PRO A 26 74.767 6.635 10.224 1.00 0.00 O ATOM 306 CB PRO A 26 75.527 8.294 12.954 1.00 0.00 C ATOM 307 CG PRO A 26 74.678 8.055 14.157 1.00 0.00 C ATOM 308 CD PRO A 26 73.503 7.249 13.684 1.00 0.00 C ATOM 0 HA PRO A 26 74.321 9.458 11.526 1.00 0.00 H new ATOM 0 HB2 PRO A 26 76.221 7.470 12.789 1.00 0.00 H new ATOM 0 HB3 PRO A 26 76.126 9.198 13.065 1.00 0.00 H new ATOM 0 HG2 PRO A 26 75.234 7.519 14.926 1.00 0.00 H new ATOM 0 HG3 PRO A 26 74.352 8.997 14.598 1.00 0.00 H new ATOM 0 HD2 PRO A 26 73.705 6.179 13.729 1.00 0.00 H new ATOM 0 HD3 PRO A 26 72.618 7.432 14.294 1.00 0.00 H new ATOM 316 N PRO A 27 75.935 8.498 9.788 1.00 0.00 N ATOM 317 CA PRO A 27 76.408 8.025 8.449 1.00 0.00 C ATOM 318 C PRO A 27 77.303 6.775 8.541 1.00 0.00 C ATOM 319 O PRO A 27 77.622 6.187 7.523 1.00 0.00 O ATOM 320 CB PRO A 27 77.209 9.218 7.903 1.00 0.00 C ATOM 321 CG PRO A 27 76.790 10.378 8.742 1.00 0.00 C ATOM 322 CD PRO A 27 76.520 9.815 10.103 1.00 0.00 C ATOM 0 HA PRO A 27 75.574 7.727 7.813 1.00 0.00 H new ATOM 0 HB2 PRO A 27 78.282 9.042 7.980 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.989 9.392 6.850 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.572 11.137 8.780 1.00 0.00 H new ATOM 0 HG3 PRO A 27 75.901 10.857 8.332 1.00 0.00 H new ATOM 0 HD2 PRO A 27 77.432 9.724 10.694 1.00 0.00 H new ATOM 0 HD3 PRO A 27 75.832 10.440 10.672 1.00 0.00 H new ATOM 330 N ASP A 28 77.718 6.370 9.726 1.00 0.00 N ATOM 331 CA ASP A 28 78.558 5.131 9.852 1.00 0.00 C ATOM 332 C ASP A 28 77.687 3.870 9.737 1.00 0.00 C ATOM 333 O ASP A 28 78.146 2.834 9.281 1.00 0.00 O ATOM 334 CB ASP A 28 79.256 5.213 11.224 1.00 0.00 C ATOM 335 CG ASP A 28 78.229 5.279 12.364 1.00 0.00 C ATOM 336 OD1 ASP A 28 77.528 4.301 12.560 1.00 0.00 O ATOM 337 OD2 ASP A 28 78.167 6.306 13.020 1.00 0.00 O ATOM 0 H ASP A 28 77.511 6.843 10.606 1.00 0.00 H new ATOM 0 HA ASP A 28 79.295 5.068 9.051 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.900 4.344 11.360 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.898 6.094 11.257 1.00 0.00 H new ATOM 342 N PHE A 29 76.434 3.953 10.140 1.00 0.00 N ATOM 343 CA PHE A 29 75.528 2.750 10.094 1.00 0.00 C ATOM 344 C PHE A 29 75.385 2.220 8.662 1.00 0.00 C ATOM 345 O PHE A 29 75.442 1.025 8.438 1.00 0.00 O ATOM 346 CB PHE A 29 74.170 3.219 10.631 1.00 0.00 C ATOM 347 CG PHE A 29 74.030 3.037 12.122 1.00 0.00 C ATOM 348 CD1 PHE A 29 74.683 3.936 13.020 1.00 0.00 C ATOM 349 CD2 PHE A 29 73.246 1.959 12.634 1.00 0.00 C ATOM 350 CE1 PHE A 29 74.553 3.757 14.431 1.00 0.00 C ATOM 351 CE2 PHE A 29 73.114 1.779 14.045 1.00 0.00 C ATOM 352 CZ PHE A 29 73.767 2.678 14.945 1.00 0.00 C ATOM 0 H PHE A 29 75.999 4.803 10.499 1.00 0.00 H new ATOM 0 HA PHE A 29 75.934 1.933 10.690 1.00 0.00 H new ATOM 0 HB2 PHE A 29 74.032 4.272 10.385 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.376 2.667 10.127 1.00 0.00 H new ATOM 0 HD1 PHE A 29 75.275 4.751 12.632 1.00 0.00 H new ATOM 0 HD2 PHE A 29 72.753 1.280 11.955 1.00 0.00 H new ATOM 0 HE1 PHE A 29 75.048 4.436 15.110 1.00 0.00 H new ATOM 0 HE2 PHE A 29 72.521 0.964 14.432 1.00 0.00 H new ATOM 0 HZ PHE A 29 73.667 2.543 16.012 1.00 0.00 H new ATOM 362 N VAL A 30 75.208 3.097 7.698 1.00 0.00 N ATOM 363 CA VAL A 30 74.876 2.649 6.299 1.00 0.00 C ATOM 364 C VAL A 30 75.981 1.725 5.745 1.00 0.00 C ATOM 365 O VAL A 30 75.707 0.806 4.993 1.00 0.00 O ATOM 366 CB VAL A 30 74.726 3.943 5.467 1.00 0.00 C ATOM 367 CG1 VAL A 30 76.052 4.713 5.407 1.00 0.00 C ATOM 368 CG2 VAL A 30 74.270 3.595 4.046 1.00 0.00 C ATOM 0 H VAL A 30 75.279 4.107 7.818 1.00 0.00 H new ATOM 0 HA VAL A 30 73.958 2.063 6.264 1.00 0.00 H new ATOM 0 HB VAL A 30 73.980 4.575 5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 30 75.920 5.619 4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 30 76.363 4.980 6.417 1.00 0.00 H new ATOM 0 HG13 VAL A 30 76.816 4.087 4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 30 74.166 4.510 3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 30 75.009 2.947 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 30 73.310 3.080 4.088 1.00 0.00 H new ATOM 378 N ASP A 31 77.216 1.973 6.126 1.00 0.00 N ATOM 379 CA ASP A 31 78.348 1.095 5.676 1.00 0.00 C ATOM 380 C ASP A 31 78.248 -0.275 6.350 1.00 0.00 C ATOM 381 O ASP A 31 78.453 -1.297 5.718 1.00 0.00 O ATOM 382 CB ASP A 31 79.635 1.809 6.106 1.00 0.00 C ATOM 383 CG ASP A 31 79.779 3.121 5.331 1.00 0.00 C ATOM 384 OD1 ASP A 31 79.568 3.103 4.130 1.00 0.00 O ATOM 385 OD2 ASP A 31 80.101 4.120 5.952 1.00 0.00 O ATOM 0 H ASP A 31 77.489 2.748 6.731 1.00 0.00 H new ATOM 0 HA ASP A 31 78.327 0.931 4.599 1.00 0.00 H new ATOM 0 HB2 ASP A 31 79.611 2.009 7.177 1.00 0.00 H new ATOM 0 HB3 ASP A 31 80.497 1.169 5.920 1.00 0.00 H new ATOM 390 N VAL A 32 77.928 -0.299 7.626 1.00 0.00 N ATOM 391 CA VAL A 32 77.864 -1.601 8.377 1.00 0.00 C ATOM 392 C VAL A 32 76.675 -2.429 7.864 1.00 0.00 C ATOM 393 O VAL A 32 76.772 -3.636 7.720 1.00 0.00 O ATOM 394 CB VAL A 32 77.693 -1.239 9.868 1.00 0.00 C ATOM 395 CG1 VAL A 32 77.657 -2.513 10.723 1.00 0.00 C ATOM 396 CG2 VAL A 32 78.867 -0.370 10.337 1.00 0.00 C ATOM 0 H VAL A 32 77.708 0.528 8.181 1.00 0.00 H new ATOM 0 HA VAL A 32 78.763 -2.201 8.235 1.00 0.00 H new ATOM 0 HB VAL A 32 76.757 -0.692 9.981 1.00 0.00 H new ATOM 0 HG11 VAL A 32 77.536 -2.244 11.772 1.00 0.00 H new ATOM 0 HG12 VAL A 32 76.820 -3.138 10.410 1.00 0.00 H new ATOM 0 HG13 VAL A 32 78.589 -3.064 10.595 1.00 0.00 H new ATOM 0 HG21 VAL A 32 78.737 -0.120 11.390 1.00 0.00 H new ATOM 0 HG22 VAL A 32 79.800 -0.918 10.207 1.00 0.00 H new ATOM 0 HG23 VAL A 32 78.899 0.547 9.748 1.00 0.00 H new ATOM 406 N ILE A 33 75.562 -1.784 7.587 1.00 0.00 N ATOM 407 CA ILE A 33 74.363 -2.508 7.033 1.00 0.00 C ATOM 408 C ILE A 33 74.692 -3.083 5.641 1.00 0.00 C ATOM 409 O ILE A 33 74.279 -4.180 5.305 1.00 0.00 O ATOM 410 CB ILE A 33 73.236 -1.448 6.960 1.00 0.00 C ATOM 411 CG1 ILE A 33 72.898 -0.927 8.374 1.00 0.00 C ATOM 412 CG2 ILE A 33 71.971 -2.030 6.307 1.00 0.00 C ATOM 413 CD1 ILE A 33 72.406 -2.058 9.294 1.00 0.00 C ATOM 0 H ILE A 33 75.430 -0.781 7.721 1.00 0.00 H new ATOM 0 HA ILE A 33 74.063 -3.352 7.654 1.00 0.00 H new ATOM 0 HB ILE A 33 73.594 -0.621 6.347 1.00 0.00 H new ATOM 0 HG12 ILE A 33 73.781 -0.461 8.811 1.00 0.00 H new ATOM 0 HG13 ILE A 33 72.131 -0.155 8.304 1.00 0.00 H new ATOM 0 HG21 ILE A 33 71.196 -1.264 6.269 1.00 0.00 H new ATOM 0 HG22 ILE A 33 72.204 -2.362 5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 33 71.615 -2.877 6.894 1.00 0.00 H new ATOM 0 HD11 ILE A 33 72.178 -1.652 10.280 1.00 0.00 H new ATOM 0 HD12 ILE A 33 71.508 -2.507 8.870 1.00 0.00 H new ATOM 0 HD13 ILE A 33 73.183 -2.817 9.385 1.00 0.00 H new ATOM 425 N ARG A 34 75.428 -2.346 4.837 1.00 0.00 N ATOM 426 CA ARG A 34 75.878 -2.870 3.496 1.00 0.00 C ATOM 427 C ARG A 34 76.706 -4.157 3.653 1.00 0.00 C ATOM 428 O ARG A 34 76.518 -5.109 2.917 1.00 0.00 O ATOM 429 CB ARG A 34 76.740 -1.761 2.882 1.00 0.00 C ATOM 430 CG ARG A 34 77.018 -2.082 1.412 1.00 0.00 C ATOM 431 CD ARG A 34 77.872 -0.967 0.797 1.00 0.00 C ATOM 432 NE ARG A 34 79.214 -1.065 1.467 1.00 0.00 N ATOM 433 CZ ARG A 34 80.051 -0.042 1.525 1.00 0.00 C ATOM 434 NH1 ARG A 34 79.783 1.127 0.984 1.00 0.00 N ATOM 435 NH2 ARG A 34 81.194 -0.202 2.135 1.00 0.00 N ATOM 0 H ARG A 34 75.739 -1.399 5.051 1.00 0.00 H new ATOM 0 HA ARG A 34 75.023 -3.119 2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 34 76.229 -0.802 2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 34 77.679 -1.671 3.429 1.00 0.00 H new ATOM 0 HG2 ARG A 34 77.535 -3.038 1.329 1.00 0.00 H new ATOM 0 HG3 ARG A 34 76.079 -2.179 0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.963 -1.094 -0.282 1.00 0.00 H new ATOM 0 HD3 ARG A 34 77.420 0.010 0.966 1.00 0.00 H new ATOM 0 HE ARG A 34 79.489 -1.951 1.892 1.00 0.00 H new ATOM 0 HH11 ARG A 34 78.900 1.272 0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 34 80.459 1.888 1.053 1.00 0.00 H new ATOM 0 HH21 ARG A 34 81.426 -1.102 2.555 1.00 0.00 H new ATOM 0 HH22 ARG A 34 81.855 0.573 2.192 1.00 0.00 H new ATOM 449 N ILE A 35 77.608 -4.183 4.609 1.00 0.00 N ATOM 450 CA ILE A 35 78.502 -5.381 4.797 1.00 0.00 C ATOM 451 C ILE A 35 77.667 -6.600 5.234 1.00 0.00 C ATOM 452 O ILE A 35 77.840 -7.688 4.712 1.00 0.00 O ATOM 453 CB ILE A 35 79.527 -4.984 5.883 1.00 0.00 C ATOM 454 CG1 ILE A 35 80.355 -3.787 5.401 1.00 0.00 C ATOM 455 CG2 ILE A 35 80.483 -6.148 6.175 1.00 0.00 C ATOM 456 CD1 ILE A 35 81.075 -3.152 6.592 1.00 0.00 C ATOM 0 H ILE A 35 77.766 -3.424 5.271 1.00 0.00 H new ATOM 0 HA ILE A 35 79.008 -5.661 3.873 1.00 0.00 H new ATOM 0 HB ILE A 35 78.979 -4.727 6.789 1.00 0.00 H new ATOM 0 HG12 ILE A 35 81.080 -4.110 4.654 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.708 -3.053 4.920 1.00 0.00 H new ATOM 0 HG21 ILE A 35 81.197 -5.849 6.942 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.913 -7.008 6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 35 81.019 -6.415 5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 35 81.664 -2.301 6.250 1.00 0.00 H new ATOM 0 HD12 ILE A 35 80.341 -2.814 7.323 1.00 0.00 H new ATOM 0 HD13 ILE A 35 81.734 -3.887 7.053 1.00 0.00 H new ATOM 468 N LYS A 36 76.779 -6.419 6.186 1.00 0.00 N ATOM 469 CA LYS A 36 75.973 -7.575 6.706 1.00 0.00 C ATOM 470 C LYS A 36 74.987 -8.088 5.641 1.00 0.00 C ATOM 471 O LYS A 36 74.708 -9.272 5.577 1.00 0.00 O ATOM 472 CB LYS A 36 75.237 -7.060 7.963 1.00 0.00 C ATOM 473 CG LYS A 36 74.274 -5.922 7.619 1.00 0.00 C ATOM 474 CD LYS A 36 73.431 -5.575 8.850 1.00 0.00 C ATOM 475 CE LYS A 36 72.419 -6.694 9.112 1.00 0.00 C ATOM 476 NZ LYS A 36 71.453 -6.114 10.087 1.00 0.00 N ATOM 0 H LYS A 36 76.577 -5.521 6.626 1.00 0.00 H new ATOM 0 HA LYS A 36 76.612 -8.423 6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 36 74.685 -7.879 8.424 1.00 0.00 H new ATOM 0 HB3 LYS A 36 75.965 -6.713 8.696 1.00 0.00 H new ATOM 0 HG2 LYS A 36 74.833 -5.046 7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 36 73.626 -6.217 6.793 1.00 0.00 H new ATOM 0 HD2 LYS A 36 74.075 -5.443 9.719 1.00 0.00 H new ATOM 0 HD3 LYS A 36 72.911 -4.630 8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 36 71.919 -6.998 8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 36 72.906 -7.581 9.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 70.726 -6.821 10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 71.957 -5.840 10.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 71.000 -5.275 9.670 1.00 0.00 H new ATOM 490 N LEU A 37 74.470 -7.207 4.812 1.00 0.00 N ATOM 491 CA LEU A 37 73.341 -7.583 3.897 1.00 0.00 C ATOM 492 C LEU A 37 73.861 -8.119 2.558 1.00 0.00 C ATOM 493 O LEU A 37 73.265 -9.008 1.979 1.00 0.00 O ATOM 494 CB LEU A 37 72.545 -6.290 3.679 1.00 0.00 C ATOM 495 CG LEU A 37 71.492 -6.136 4.779 1.00 0.00 C ATOM 496 CD1 LEU A 37 71.055 -4.673 4.865 1.00 0.00 C ATOM 497 CD2 LEU A 37 70.281 -7.010 4.449 1.00 0.00 C ATOM 0 H LEU A 37 74.783 -6.240 4.730 1.00 0.00 H new ATOM 0 HA LEU A 37 72.731 -8.376 4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 37 73.218 -5.433 3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 37 72.063 -6.310 2.702 1.00 0.00 H new ATOM 0 HG LEU A 37 71.916 -6.446 5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 37 70.305 -4.563 5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 37 71.918 -4.049 5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 37 70.630 -4.363 3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 37 69.530 -6.902 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 37 69.857 -6.699 3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 37 70.591 -8.053 4.386 1.00 0.00 H new ATOM 509 N GLN A 38 74.961 -7.584 2.062 1.00 0.00 N ATOM 510 CA GLN A 38 75.444 -7.920 0.667 1.00 0.00 C ATOM 511 C GLN A 38 75.530 -9.439 0.427 1.00 0.00 C ATOM 512 O GLN A 38 75.837 -10.201 1.326 1.00 0.00 O ATOM 513 CB GLN A 38 76.834 -7.273 0.516 1.00 0.00 C ATOM 514 CG GLN A 38 77.797 -7.774 1.601 1.00 0.00 C ATOM 515 CD GLN A 38 79.242 -7.628 1.116 1.00 0.00 C ATOM 516 OE1 GLN A 38 79.777 -8.520 0.487 1.00 0.00 O ATOM 517 NE2 GLN A 38 79.899 -6.532 1.381 1.00 0.00 N ATOM 0 H GLN A 38 75.552 -6.923 2.566 1.00 0.00 H new ATOM 0 HA GLN A 38 74.738 -7.539 -0.071 1.00 0.00 H new ATOM 0 HB2 GLN A 38 77.240 -7.502 -0.469 1.00 0.00 H new ATOM 0 HB3 GLN A 38 76.743 -6.189 0.579 1.00 0.00 H new ATOM 0 HG2 GLN A 38 77.652 -7.206 2.520 1.00 0.00 H new ATOM 0 HG3 GLN A 38 77.585 -8.817 1.835 1.00 0.00 H new ATOM 0 HE21 GLN A 38 79.450 -5.783 1.909 1.00 0.00 H new ATOM 0 HE22 GLN A 38 80.861 -6.424 1.060 1.00 0.00 H new ATOM 526 N GLY A 39 75.255 -9.865 -0.787 1.00 0.00 N ATOM 527 CA GLY A 39 75.146 -11.326 -1.092 1.00 0.00 C ATOM 528 C GLY A 39 73.678 -11.777 -1.055 1.00 0.00 C ATOM 529 O GLY A 39 73.311 -12.725 -1.728 1.00 0.00 O ATOM 0 H GLY A 39 75.100 -9.252 -1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 39 75.570 -11.531 -2.075 1.00 0.00 H new ATOM 0 HA3 GLY A 39 75.727 -11.899 -0.369 1.00 0.00 H new ATOM 533 N LYS A 40 72.846 -11.112 -0.281 1.00 0.00 N ATOM 534 CA LYS A 40 71.385 -11.446 -0.255 1.00 0.00 C ATOM 535 C LYS A 40 70.636 -10.622 -1.307 1.00 0.00 C ATOM 536 O LYS A 40 71.083 -9.557 -1.694 1.00 0.00 O ATOM 537 CB LYS A 40 70.906 -11.080 1.152 1.00 0.00 C ATOM 538 CG LYS A 40 71.558 -12.013 2.175 1.00 0.00 C ATOM 539 CD LYS A 40 71.012 -11.705 3.571 1.00 0.00 C ATOM 540 CE LYS A 40 71.754 -12.550 4.608 1.00 0.00 C ATOM 541 NZ LYS A 40 73.028 -11.820 4.857 1.00 0.00 N ATOM 0 H LYS A 40 73.121 -10.348 0.337 1.00 0.00 H new ATOM 0 HA LYS A 40 71.203 -12.497 -0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 40 71.160 -10.044 1.376 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.821 -11.161 1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 40 71.356 -13.052 1.915 1.00 0.00 H new ATOM 0 HG3 LYS A 40 72.640 -11.886 2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 40 71.134 -10.645 3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 40 69.944 -11.918 3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 40 71.172 -12.652 5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 40 71.942 -13.557 4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 73.822 -12.492 4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 73.168 -11.104 4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 72.985 -11.353 5.785 1.00 0.00 H new ATOM 555 N THR A 41 69.506 -11.116 -1.763 1.00 0.00 N ATOM 556 CA THR A 41 68.718 -10.394 -2.809 1.00 0.00 C ATOM 557 C THR A 41 67.570 -9.609 -2.168 1.00 0.00 C ATOM 558 O THR A 41 67.038 -10.003 -1.145 1.00 0.00 O ATOM 559 CB THR A 41 68.171 -11.493 -3.722 1.00 0.00 C ATOM 560 OG1 THR A 41 69.228 -12.364 -4.098 1.00 0.00 O ATOM 561 CG2 THR A 41 67.558 -10.863 -4.973 1.00 0.00 C ATOM 0 H THR A 41 69.095 -11.996 -1.451 1.00 0.00 H new ATOM 0 HA THR A 41 69.326 -9.673 -3.355 1.00 0.00 H new ATOM 0 HB THR A 41 67.405 -12.058 -3.191 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.879 -13.070 -4.682 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.169 -11.647 -5.622 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.746 -10.196 -4.684 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.321 -10.296 -5.506 1.00 0.00 H new ATOM 569 N VAL A 42 67.196 -8.502 -2.770 1.00 0.00 N ATOM 570 CA VAL A 42 66.130 -7.624 -2.188 1.00 0.00 C ATOM 571 C VAL A 42 65.098 -7.260 -3.262 1.00 0.00 C ATOM 572 O VAL A 42 65.446 -7.037 -4.410 1.00 0.00 O ATOM 573 CB VAL A 42 66.849 -6.363 -1.668 1.00 0.00 C ATOM 574 CG1 VAL A 42 67.801 -6.748 -0.533 1.00 0.00 C ATOM 575 CG2 VAL A 42 67.652 -5.683 -2.791 1.00 0.00 C ATOM 0 H VAL A 42 67.589 -8.167 -3.650 1.00 0.00 H new ATOM 0 HA VAL A 42 65.591 -8.126 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 42 66.095 -5.664 -1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 42 68.309 -5.856 -0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 42 67.234 -7.203 0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.539 -7.460 -0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 42 68.149 -4.796 -2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.399 -6.377 -3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 42 66.977 -5.393 -3.596 1.00 0.00 H new ATOM 585 N ARG A 43 63.839 -7.201 -2.888 1.00 0.00 N ATOM 586 CA ARG A 43 62.772 -6.740 -3.828 1.00 0.00 C ATOM 587 C ARG A 43 61.826 -5.772 -3.110 1.00 0.00 C ATOM 588 O ARG A 43 61.558 -5.919 -1.930 1.00 0.00 O ATOM 589 CB ARG A 43 62.031 -8.013 -4.239 1.00 0.00 C ATOM 590 CG ARG A 43 61.060 -7.697 -5.378 1.00 0.00 C ATOM 591 CD ARG A 43 60.267 -8.958 -5.739 1.00 0.00 C ATOM 592 NE ARG A 43 59.438 -8.589 -6.937 1.00 0.00 N ATOM 593 CZ ARG A 43 58.975 -9.495 -7.781 1.00 0.00 C ATOM 594 NH1 ARG A 43 59.187 -10.785 -7.627 1.00 0.00 N ATOM 595 NH2 ARG A 43 58.271 -9.095 -8.805 1.00 0.00 N ATOM 0 H ARG A 43 63.505 -7.457 -1.959 1.00 0.00 H new ATOM 0 HA ARG A 43 63.176 -6.210 -4.691 1.00 0.00 H new ATOM 0 HB2 ARG A 43 62.744 -8.774 -4.556 1.00 0.00 H new ATOM 0 HB3 ARG A 43 61.487 -8.421 -3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 43 60.379 -6.900 -5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 43 61.609 -7.338 -6.249 1.00 0.00 H new ATOM 0 HD2 ARG A 43 60.935 -9.789 -5.966 1.00 0.00 H new ATOM 0 HD3 ARG A 43 59.636 -9.274 -4.909 1.00 0.00 H new ATOM 0 HE ARG A 43 59.225 -7.606 -7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 43 59.728 -11.121 -6.831 1.00 0.00 H new ATOM 0 HH12 ARG A 43 58.810 -11.448 -8.304 1.00 0.00 H new ATOM 0 HH21 ARG A 43 58.088 -8.101 -8.941 1.00 0.00 H new ATOM 0 HH22 ARG A 43 57.904 -9.777 -9.469 1.00 0.00 H new ATOM 609 N THR A 44 61.314 -4.786 -3.818 1.00 0.00 N ATOM 610 CA THR A 44 60.449 -3.727 -3.177 1.00 0.00 C ATOM 611 C THR A 44 59.263 -4.349 -2.421 1.00 0.00 C ATOM 612 O THR A 44 58.658 -5.300 -2.885 1.00 0.00 O ATOM 613 CB THR A 44 59.930 -2.862 -4.332 1.00 0.00 C ATOM 614 OG1 THR A 44 61.011 -2.520 -5.187 1.00 0.00 O ATOM 615 CG2 THR A 44 59.298 -1.588 -3.773 1.00 0.00 C ATOM 0 H THR A 44 61.458 -4.666 -4.821 1.00 0.00 H new ATOM 0 HA THR A 44 61.019 -3.151 -2.448 1.00 0.00 H new ATOM 0 HB THR A 44 59.182 -3.419 -4.896 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.999 -3.099 -5.978 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.929 -0.974 -4.595 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.469 -1.851 -3.116 1.00 0.00 H new ATOM 0 HG23 THR A 44 60.044 -1.029 -3.209 1.00 0.00 H new ATOM 623 N GLY A 45 58.941 -3.811 -1.266 1.00 0.00 N ATOM 624 CA GLY A 45 57.773 -4.317 -0.478 1.00 0.00 C ATOM 625 C GLY A 45 58.226 -5.261 0.648 1.00 0.00 C ATOM 626 O GLY A 45 57.472 -5.508 1.573 1.00 0.00 O ATOM 0 H GLY A 45 59.443 -3.036 -0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 45 57.227 -3.475 -0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 45 57.084 -4.842 -1.140 1.00 0.00 H new ATOM 630 N ASP A 46 59.435 -5.791 0.584 1.00 0.00 N ATOM 631 CA ASP A 46 59.956 -6.647 1.708 1.00 0.00 C ATOM 632 C ASP A 46 60.098 -5.826 2.994 1.00 0.00 C ATOM 633 O ASP A 46 60.326 -4.630 2.947 1.00 0.00 O ATOM 634 CB ASP A 46 61.334 -7.151 1.259 1.00 0.00 C ATOM 635 CG ASP A 46 61.178 -8.180 0.135 1.00 0.00 C ATOM 636 OD1 ASP A 46 60.259 -8.982 0.206 1.00 0.00 O ATOM 637 OD2 ASP A 46 61.988 -8.153 -0.776 1.00 0.00 O ATOM 0 H ASP A 46 60.080 -5.667 -0.196 1.00 0.00 H new ATOM 0 HA ASP A 46 59.273 -7.469 1.920 1.00 0.00 H new ATOM 0 HB2 ASP A 46 61.941 -6.314 0.915 1.00 0.00 H new ATOM 0 HB3 ASP A 46 61.858 -7.599 2.103 1.00 0.00 H new ATOM 642 N VAL A 47 59.965 -6.467 4.133 1.00 0.00 N ATOM 643 CA VAL A 47 60.121 -5.758 5.444 1.00 0.00 C ATOM 644 C VAL A 47 61.015 -6.597 6.368 1.00 0.00 C ATOM 645 O VAL A 47 60.812 -7.789 6.515 1.00 0.00 O ATOM 646 CB VAL A 47 58.695 -5.623 6.019 1.00 0.00 C ATOM 647 CG1 VAL A 47 58.733 -4.885 7.364 1.00 0.00 C ATOM 648 CG2 VAL A 47 57.809 -4.824 5.054 1.00 0.00 C ATOM 0 H VAL A 47 59.753 -7.462 4.210 1.00 0.00 H new ATOM 0 HA VAL A 47 60.589 -4.779 5.339 1.00 0.00 H new ATOM 0 HB VAL A 47 58.288 -6.625 6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.721 -4.796 7.759 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.350 -5.443 8.068 1.00 0.00 H new ATOM 0 HG13 VAL A 47 59.155 -3.890 7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 47 56.806 -4.735 5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 47 58.232 -3.830 4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.760 -5.339 4.095 1.00 0.00 H new ATOM 658 N ILE A 48 61.998 -5.974 6.980 1.00 0.00 N ATOM 659 CA ILE A 48 62.925 -6.714 7.899 1.00 0.00 C ATOM 660 C ILE A 48 63.200 -5.886 9.158 1.00 0.00 C ATOM 661 O ILE A 48 63.224 -4.668 9.111 1.00 0.00 O ATOM 662 CB ILE A 48 64.221 -6.971 7.103 1.00 0.00 C ATOM 663 CG1 ILE A 48 64.851 -5.652 6.605 1.00 0.00 C ATOM 664 CG2 ILE A 48 63.910 -7.872 5.903 1.00 0.00 C ATOM 665 CD1 ILE A 48 65.788 -5.064 7.671 1.00 0.00 C ATOM 0 H ILE A 48 62.198 -4.979 6.881 1.00 0.00 H new ATOM 0 HA ILE A 48 62.489 -7.656 8.232 1.00 0.00 H new ATOM 0 HB ILE A 48 64.936 -7.458 7.766 1.00 0.00 H new ATOM 0 HG12 ILE A 48 65.406 -5.833 5.685 1.00 0.00 H new ATOM 0 HG13 ILE A 48 64.066 -4.934 6.368 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.824 -8.055 5.339 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.505 -8.821 6.256 1.00 0.00 H new ATOM 0 HG23 ILE A 48 63.179 -7.382 5.260 1.00 0.00 H new ATOM 0 HD11 ILE A 48 66.222 -4.135 7.301 1.00 0.00 H new ATOM 0 HD12 ILE A 48 65.223 -4.864 8.581 1.00 0.00 H new ATOM 0 HD13 ILE A 48 66.585 -5.776 7.888 1.00 0.00 H new ATOM 677 N GLY A 49 63.405 -6.545 10.279 1.00 0.00 N ATOM 678 CA GLY A 49 63.642 -5.823 11.567 1.00 0.00 C ATOM 679 C GLY A 49 65.110 -5.969 11.979 1.00 0.00 C ATOM 680 O GLY A 49 65.691 -7.031 11.847 1.00 0.00 O ATOM 0 H GLY A 49 63.417 -7.562 10.353 1.00 0.00 H new ATOM 0 HA2 GLY A 49 63.389 -4.769 11.456 1.00 0.00 H new ATOM 0 HA3 GLY A 49 62.994 -6.226 12.345 1.00 0.00 H new ATOM 684 N ILE A 50 65.703 -4.904 12.471 1.00 0.00 N ATOM 685 CA ILE A 50 67.117 -4.966 12.967 1.00 0.00 C ATOM 686 C ILE A 50 67.184 -4.383 14.386 1.00 0.00 C ATOM 687 O ILE A 50 66.541 -3.391 14.683 1.00 0.00 O ATOM 688 CB ILE A 50 67.939 -4.124 11.968 1.00 0.00 C ATOM 689 CG1 ILE A 50 67.849 -4.746 10.567 1.00 0.00 C ATOM 690 CG2 ILE A 50 69.413 -4.081 12.393 1.00 0.00 C ATOM 691 CD1 ILE A 50 68.391 -3.761 9.525 1.00 0.00 C ATOM 0 H ILE A 50 65.263 -3.987 12.550 1.00 0.00 H new ATOM 0 HA ILE A 50 67.503 -5.984 13.024 1.00 0.00 H new ATOM 0 HB ILE A 50 67.534 -3.112 11.955 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.419 -5.674 10.534 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.814 -4.999 10.337 1.00 0.00 H new ATOM 0 HG21 ILE A 50 69.980 -3.484 11.679 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.493 -3.635 13.384 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.814 -5.094 12.418 1.00 0.00 H new ATOM 0 HD11 ILE A 50 68.325 -4.208 8.533 1.00 0.00 H new ATOM 0 HD12 ILE A 50 67.802 -2.844 9.550 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.432 -3.530 9.750 1.00 0.00 H new ATOM 703 N SER A 51 67.955 -5.002 15.253 1.00 0.00 N ATOM 704 CA SER A 51 68.153 -4.455 16.635 1.00 0.00 C ATOM 705 C SER A 51 69.331 -3.475 16.657 1.00 0.00 C ATOM 706 O SER A 51 70.407 -3.785 16.178 1.00 0.00 O ATOM 707 CB SER A 51 68.459 -5.672 17.513 1.00 0.00 C ATOM 708 OG SER A 51 69.714 -6.220 17.139 1.00 0.00 O ATOM 0 H SER A 51 68.458 -5.868 15.060 1.00 0.00 H new ATOM 0 HA SER A 51 67.276 -3.910 16.985 1.00 0.00 H new ATOM 0 HB2 SER A 51 68.475 -5.381 18.563 1.00 0.00 H new ATOM 0 HB3 SER A 51 67.675 -6.421 17.401 1.00 0.00 H new ATOM 0 HG SER A 51 70.267 -5.522 16.731 1.00 0.00 H new ATOM 714 N ILE A 52 69.126 -2.300 17.211 1.00 0.00 N ATOM 715 CA ILE A 52 70.239 -1.308 17.358 1.00 0.00 C ATOM 716 C ILE A 52 70.293 -0.819 18.813 1.00 0.00 C ATOM 717 O ILE A 52 69.331 -0.279 19.328 1.00 0.00 O ATOM 718 CB ILE A 52 69.896 -0.156 16.390 1.00 0.00 C ATOM 719 CG1 ILE A 52 69.834 -0.680 14.948 1.00 0.00 C ATOM 720 CG2 ILE A 52 70.969 0.941 16.464 1.00 0.00 C ATOM 721 CD1 ILE A 52 69.168 0.364 14.049 1.00 0.00 C ATOM 0 H ILE A 52 68.225 -1.985 17.571 1.00 0.00 H new ATOM 0 HA ILE A 52 71.216 -1.731 17.125 1.00 0.00 H new ATOM 0 HB ILE A 52 68.929 0.255 16.680 1.00 0.00 H new ATOM 0 HG12 ILE A 52 70.839 -0.898 14.586 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.274 -1.614 14.914 1.00 0.00 H new ATOM 0 HG21 ILE A 52 70.714 1.747 15.776 1.00 0.00 H new ATOM 0 HG22 ILE A 52 71.019 1.333 17.480 1.00 0.00 H new ATOM 0 HG23 ILE A 52 71.937 0.522 16.189 1.00 0.00 H new ATOM 0 HD11 ILE A 52 69.125 -0.011 13.026 1.00 0.00 H new ATOM 0 HD12 ILE A 52 68.157 0.560 14.406 1.00 0.00 H new ATOM 0 HD13 ILE A 52 69.747 1.287 14.073 1.00 0.00 H new ATOM 733 N LEU A 53 71.421 -1.010 19.476 1.00 0.00 N ATOM 734 CA LEU A 53 71.615 -0.518 20.890 1.00 0.00 C ATOM 735 C LEU A 53 70.465 -0.962 21.812 1.00 0.00 C ATOM 736 O LEU A 53 70.098 -0.258 22.738 1.00 0.00 O ATOM 737 CB LEU A 53 71.669 1.014 20.794 1.00 0.00 C ATOM 738 CG LEU A 53 73.092 1.458 20.444 1.00 0.00 C ATOM 739 CD1 LEU A 53 73.364 1.187 18.963 1.00 0.00 C ATOM 740 CD2 LEU A 53 73.239 2.956 20.722 1.00 0.00 C ATOM 0 H LEU A 53 72.230 -1.495 19.088 1.00 0.00 H new ATOM 0 HA LEU A 53 72.525 -0.933 21.323 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.971 1.365 20.035 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.361 1.459 21.740 1.00 0.00 H new ATOM 0 HG LEU A 53 73.806 0.901 21.051 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.377 1.504 18.715 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.258 0.121 18.763 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.651 1.743 18.354 1.00 0.00 H new ATOM 0 HD21 LEU A 53 74.251 3.275 20.474 1.00 0.00 H new ATOM 0 HD22 LEU A 53 72.525 3.511 20.114 1.00 0.00 H new ATOM 0 HD23 LEU A 53 73.046 3.151 21.777 1.00 0.00 H new ATOM 752 N GLY A 54 69.906 -2.123 21.555 1.00 0.00 N ATOM 753 CA GLY A 54 68.798 -2.652 22.412 1.00 0.00 C ATOM 754 C GLY A 54 67.463 -1.983 22.045 1.00 0.00 C ATOM 755 O GLY A 54 66.563 -1.925 22.866 1.00 0.00 O ATOM 0 H GLY A 54 70.174 -2.731 20.781 1.00 0.00 H new ATOM 0 HA2 GLY A 54 68.717 -3.732 22.285 1.00 0.00 H new ATOM 0 HA3 GLY A 54 69.025 -2.470 23.462 1.00 0.00 H new ATOM 759 N LYS A 55 67.326 -1.481 20.832 1.00 0.00 N ATOM 760 CA LYS A 55 66.027 -0.883 20.390 1.00 0.00 C ATOM 761 C LYS A 55 65.641 -1.436 19.016 1.00 0.00 C ATOM 762 O LYS A 55 66.417 -1.368 18.080 1.00 0.00 O ATOM 763 CB LYS A 55 66.287 0.624 20.307 1.00 0.00 C ATOM 764 CG LYS A 55 66.545 1.185 21.707 1.00 0.00 C ATOM 765 CD LYS A 55 65.239 1.197 22.505 1.00 0.00 C ATOM 766 CE LYS A 55 65.454 1.937 23.827 1.00 0.00 C ATOM 767 NZ LYS A 55 66.081 0.933 24.732 1.00 0.00 N ATOM 0 H LYS A 55 68.066 -1.463 20.130 1.00 0.00 H new ATOM 0 HA LYS A 55 65.210 -1.115 21.073 1.00 0.00 H new ATOM 0 HB2 LYS A 55 67.145 0.819 19.664 1.00 0.00 H new ATOM 0 HB3 LYS A 55 65.430 1.126 19.857 1.00 0.00 H new ATOM 0 HG2 LYS A 55 67.291 0.579 22.221 1.00 0.00 H new ATOM 0 HG3 LYS A 55 66.949 2.195 21.636 1.00 0.00 H new ATOM 0 HD2 LYS A 55 64.452 1.683 21.928 1.00 0.00 H new ATOM 0 HD3 LYS A 55 64.909 0.176 22.697 1.00 0.00 H new ATOM 0 HE2 LYS A 55 66.099 2.805 23.693 1.00 0.00 H new ATOM 0 HE3 LYS A 55 64.510 2.301 24.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 65.409 0.675 25.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 66.334 0.084 24.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 66.938 1.338 25.159 1.00 0.00 H new ATOM 781 N GLU A 56 64.450 -1.981 18.897 1.00 0.00 N ATOM 782 CA GLU A 56 64.016 -2.597 17.600 1.00 0.00 C ATOM 783 C GLU A 56 63.554 -1.510 16.625 1.00 0.00 C ATOM 784 O GLU A 56 62.758 -0.657 16.974 1.00 0.00 O ATOM 785 CB GLU A 56 62.849 -3.524 17.953 1.00 0.00 C ATOM 786 CG GLU A 56 62.492 -4.387 16.741 1.00 0.00 C ATOM 787 CD GLU A 56 61.238 -5.209 17.047 1.00 0.00 C ATOM 788 OE1 GLU A 56 60.297 -4.644 17.579 1.00 0.00 O ATOM 789 OE2 GLU A 56 61.241 -6.392 16.745 1.00 0.00 O ATOM 0 H GLU A 56 63.758 -2.025 19.645 1.00 0.00 H new ATOM 0 HA GLU A 56 64.830 -3.139 17.118 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.119 -4.159 18.797 1.00 0.00 H new ATOM 0 HB3 GLU A 56 61.984 -2.936 18.260 1.00 0.00 H new ATOM 0 HG2 GLU A 56 62.321 -3.755 15.870 1.00 0.00 H new ATOM 0 HG3 GLU A 56 63.322 -5.049 16.496 1.00 0.00 H new ATOM 796 N VAL A 57 64.056 -1.539 15.409 1.00 0.00 N ATOM 797 CA VAL A 57 63.539 -0.626 14.339 1.00 0.00 C ATOM 798 C VAL A 57 63.101 -1.449 13.117 1.00 0.00 C ATOM 799 O VAL A 57 63.821 -2.320 12.661 1.00 0.00 O ATOM 800 CB VAL A 57 64.709 0.330 14.015 1.00 0.00 C ATOM 801 CG1 VAL A 57 65.928 -0.440 13.486 1.00 0.00 C ATOM 802 CG2 VAL A 57 64.266 1.357 12.964 1.00 0.00 C ATOM 0 H VAL A 57 64.807 -2.162 15.112 1.00 0.00 H new ATOM 0 HA VAL A 57 62.661 -0.061 14.651 1.00 0.00 H new ATOM 0 HB VAL A 57 64.993 0.837 14.937 1.00 0.00 H new ATOM 0 HG11 VAL A 57 66.734 0.260 13.267 1.00 0.00 H new ATOM 0 HG12 VAL A 57 66.262 -1.154 14.239 1.00 0.00 H new ATOM 0 HG13 VAL A 57 65.654 -0.974 12.576 1.00 0.00 H new ATOM 0 HG21 VAL A 57 65.095 2.028 12.739 1.00 0.00 H new ATOM 0 HG22 VAL A 57 63.962 0.839 12.054 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.426 1.934 13.351 1.00 0.00 H new ATOM 812 N LYS A 58 61.924 -1.171 12.601 1.00 0.00 N ATOM 813 CA LYS A 58 61.443 -1.867 11.366 1.00 0.00 C ATOM 814 C LYS A 58 61.781 -1.035 10.127 1.00 0.00 C ATOM 815 O LYS A 58 61.450 0.136 10.056 1.00 0.00 O ATOM 816 CB LYS A 58 59.925 -1.981 11.534 1.00 0.00 C ATOM 817 CG LYS A 58 59.606 -2.938 12.684 1.00 0.00 C ATOM 818 CD LYS A 58 58.091 -3.128 12.785 1.00 0.00 C ATOM 819 CE LYS A 58 57.762 -3.970 14.019 1.00 0.00 C ATOM 820 NZ LYS A 58 56.448 -4.601 13.715 1.00 0.00 N ATOM 0 H LYS A 58 61.273 -0.487 12.987 1.00 0.00 H new ATOM 0 HA LYS A 58 61.912 -2.842 11.235 1.00 0.00 H new ATOM 0 HB2 LYS A 58 59.497 -0.999 11.735 1.00 0.00 H new ATOM 0 HB3 LYS A 58 59.473 -2.343 10.610 1.00 0.00 H new ATOM 0 HG2 LYS A 58 60.093 -3.899 12.517 1.00 0.00 H new ATOM 0 HG3 LYS A 58 59.997 -2.541 13.621 1.00 0.00 H new ATOM 0 HD2 LYS A 58 57.596 -2.159 12.851 1.00 0.00 H new ATOM 0 HD3 LYS A 58 57.715 -3.618 11.887 1.00 0.00 H new ATOM 0 HE2 LYS A 58 58.529 -4.723 14.199 1.00 0.00 H new ATOM 0 HE3 LYS A 58 57.705 -3.352 14.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 56.155 -5.196 14.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 55.736 -3.860 13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 56.534 -5.189 12.861 1.00 0.00 H new ATOM 834 N PHE A 59 62.436 -1.634 9.158 1.00 0.00 N ATOM 835 CA PHE A 59 62.759 -0.915 7.887 1.00 0.00 C ATOM 836 C PHE A 59 61.974 -1.526 6.725 1.00 0.00 C ATOM 837 O PHE A 59 61.955 -2.733 6.555 1.00 0.00 O ATOM 838 CB PHE A 59 64.261 -1.122 7.682 1.00 0.00 C ATOM 839 CG PHE A 59 65.119 -0.439 8.723 1.00 0.00 C ATOM 840 CD1 PHE A 59 64.929 0.948 9.011 1.00 0.00 C ATOM 841 CD2 PHE A 59 66.123 -1.180 9.417 1.00 0.00 C ATOM 842 CE1 PHE A 59 65.741 1.593 9.993 1.00 0.00 C ATOM 843 CE2 PHE A 59 66.937 -0.535 10.400 1.00 0.00 C ATOM 844 CZ PHE A 59 66.745 0.852 10.688 1.00 0.00 C ATOM 0 H PHE A 59 62.762 -2.600 9.197 1.00 0.00 H new ATOM 0 HA PHE A 59 62.496 0.142 7.933 1.00 0.00 H new ATOM 0 HB2 PHE A 59 64.476 -2.191 7.692 1.00 0.00 H new ATOM 0 HB3 PHE A 59 64.538 -0.750 6.696 1.00 0.00 H new ATOM 0 HD1 PHE A 59 64.170 1.509 8.485 1.00 0.00 H new ATOM 0 HD2 PHE A 59 66.268 -2.228 9.199 1.00 0.00 H new ATOM 0 HE1 PHE A 59 65.596 2.641 10.210 1.00 0.00 H new ATOM 0 HE2 PHE A 59 67.697 -1.096 10.925 1.00 0.00 H new ATOM 0 HZ PHE A 59 67.359 1.339 11.431 1.00 0.00 H new ATOM 854 N LYS A 60 61.330 -0.697 5.935 1.00 0.00 N ATOM 855 CA LYS A 60 60.630 -1.193 4.710 1.00 0.00 C ATOM 856 C LYS A 60 61.442 -0.842 3.461 1.00 0.00 C ATOM 857 O LYS A 60 61.998 0.239 3.366 1.00 0.00 O ATOM 858 CB LYS A 60 59.286 -0.459 4.696 1.00 0.00 C ATOM 859 CG LYS A 60 58.384 -1.068 3.620 1.00 0.00 C ATOM 860 CD LYS A 60 57.063 -0.300 3.560 1.00 0.00 C ATOM 861 CE LYS A 60 56.182 -0.881 2.452 1.00 0.00 C ATOM 862 NZ LYS A 60 56.633 -0.199 1.206 1.00 0.00 N ATOM 0 H LYS A 60 61.260 0.309 6.090 1.00 0.00 H new ATOM 0 HA LYS A 60 60.504 -2.276 4.716 1.00 0.00 H new ATOM 0 HB2 LYS A 60 58.808 -0.535 5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 60 59.441 0.602 4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 60 58.882 -1.031 2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 60 58.195 -2.118 3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 60 56.549 -0.365 4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 60 57.253 0.757 3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 60 56.303 -1.962 2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 60 55.126 -0.691 2.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 56.572 -0.861 0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 56.025 0.624 1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 57.617 0.117 1.320 1.00 0.00 H new ATOM 876 N VAL A 61 61.508 -1.749 2.512 1.00 0.00 N ATOM 877 CA VAL A 61 62.215 -1.459 1.221 1.00 0.00 C ATOM 878 C VAL A 61 61.283 -0.647 0.314 1.00 0.00 C ATOM 879 O VAL A 61 60.281 -1.154 -0.160 1.00 0.00 O ATOM 880 CB VAL A 61 62.547 -2.830 0.593 1.00 0.00 C ATOM 881 CG1 VAL A 61 63.308 -2.640 -0.725 1.00 0.00 C ATOM 882 CG2 VAL A 61 63.425 -3.649 1.547 1.00 0.00 C ATOM 0 H VAL A 61 61.100 -2.682 2.577 1.00 0.00 H new ATOM 0 HA VAL A 61 63.126 -0.878 1.366 1.00 0.00 H new ATOM 0 HB VAL A 61 61.610 -3.354 0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 61 63.536 -3.614 -1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 61 62.693 -2.069 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.236 -2.101 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 61 63.653 -4.614 1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 61 64.353 -3.111 1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.894 -3.806 2.486 1.00 0.00 H new ATOM 892 N VAL A 62 61.615 0.602 0.076 1.00 0.00 N ATOM 893 CA VAL A 62 60.707 1.504 -0.704 1.00 0.00 C ATOM 894 C VAL A 62 60.854 1.195 -2.197 1.00 0.00 C ATOM 895 O VAL A 62 59.876 1.156 -2.923 1.00 0.00 O ATOM 896 CB VAL A 62 61.153 2.948 -0.389 1.00 0.00 C ATOM 897 CG1 VAL A 62 60.260 3.954 -1.127 1.00 0.00 C ATOM 898 CG2 VAL A 62 61.044 3.216 1.117 1.00 0.00 C ATOM 0 H VAL A 62 62.482 1.037 0.391 1.00 0.00 H new ATOM 0 HA VAL A 62 59.659 1.365 -0.439 1.00 0.00 H new ATOM 0 HB VAL A 62 62.187 3.063 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 62 60.586 4.968 -0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 62 60.333 3.786 -2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 62 59.226 3.824 -0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 62 61.361 4.237 1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.010 3.083 1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 62 61.683 2.518 1.658 1.00 0.00 H new ATOM 908 N GLN A 63 62.071 0.975 -2.648 1.00 0.00 N ATOM 909 CA GLN A 63 62.304 0.686 -4.099 1.00 0.00 C ATOM 910 C GLN A 63 63.683 0.058 -4.311 1.00 0.00 C ATOM 911 O GLN A 63 64.680 0.555 -3.816 1.00 0.00 O ATOM 912 CB GLN A 63 62.221 2.044 -4.799 1.00 0.00 C ATOM 913 CG GLN A 63 61.950 1.835 -6.290 1.00 0.00 C ATOM 914 CD GLN A 63 61.374 3.121 -6.889 1.00 0.00 C ATOM 915 OE1 GLN A 63 61.941 4.185 -6.733 1.00 0.00 O ATOM 916 NE2 GLN A 63 60.264 3.068 -7.573 1.00 0.00 N ATOM 0 H GLN A 63 62.912 0.984 -2.071 1.00 0.00 H new ATOM 0 HA GLN A 63 61.574 -0.021 -4.492 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.428 2.646 -4.355 1.00 0.00 H new ATOM 0 HB3 GLN A 63 63.152 2.593 -4.661 1.00 0.00 H new ATOM 0 HG2 GLN A 63 62.872 1.563 -6.804 1.00 0.00 H new ATOM 0 HG3 GLN A 63 61.251 1.010 -6.432 1.00 0.00 H new ATOM 0 HE21 GLN A 63 59.788 2.176 -7.704 1.00 0.00 H new ATOM 0 HE22 GLN A 63 59.872 3.919 -7.977 1.00 0.00 H new ATOM 925 N ALA A 64 63.735 -1.034 -5.040 1.00 0.00 N ATOM 926 CA ALA A 64 65.043 -1.605 -5.484 1.00 0.00 C ATOM 927 C ALA A 64 65.288 -1.255 -6.955 1.00 0.00 C ATOM 928 O ALA A 64 64.385 -1.324 -7.768 1.00 0.00 O ATOM 929 CB ALA A 64 64.895 -3.117 -5.308 1.00 0.00 C ATOM 0 H ALA A 64 62.916 -1.558 -5.348 1.00 0.00 H new ATOM 0 HA ALA A 64 65.886 -1.213 -4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.817 -3.611 -5.614 1.00 0.00 H new ATOM 0 HB2 ALA A 64 64.692 -3.343 -4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 64 64.070 -3.476 -5.923 1.00 0.00 H new ATOM 935 N TYR A 65 66.501 -0.879 -7.290 1.00 0.00 N ATOM 936 CA TYR A 65 66.829 -0.507 -8.703 1.00 0.00 C ATOM 937 C TYR A 65 68.087 -1.267 -9.174 1.00 0.00 C ATOM 938 O TYR A 65 69.132 -1.078 -8.585 1.00 0.00 O ATOM 939 CB TYR A 65 67.107 0.999 -8.654 1.00 0.00 C ATOM 940 CG TYR A 65 65.868 1.847 -8.814 1.00 0.00 C ATOM 941 CD1 TYR A 65 64.996 1.637 -9.927 1.00 0.00 C ATOM 942 CD2 TYR A 65 65.567 2.861 -7.852 1.00 0.00 C ATOM 943 CE1 TYR A 65 63.825 2.440 -10.079 1.00 0.00 C ATOM 944 CE2 TYR A 65 64.395 3.665 -8.005 1.00 0.00 C ATOM 945 CZ TYR A 65 63.524 3.454 -9.118 1.00 0.00 C ATOM 946 OH TYR A 65 62.392 4.231 -9.265 1.00 0.00 O ATOM 0 H TYR A 65 67.283 -0.814 -6.639 1.00 0.00 H new ATOM 0 HA TYR A 65 66.026 -0.757 -9.396 1.00 0.00 H new ATOM 0 HB2 TYR A 65 67.583 1.242 -7.704 1.00 0.00 H new ATOM 0 HB3 TYR A 65 67.817 1.255 -9.441 1.00 0.00 H new ATOM 0 HD1 TYR A 65 65.223 0.871 -10.653 1.00 0.00 H new ATOM 0 HD2 TYR A 65 66.225 3.019 -7.010 1.00 0.00 H new ATOM 0 HE1 TYR A 65 63.167 2.281 -10.920 1.00 0.00 H new ATOM 0 HE2 TYR A 65 64.168 4.432 -7.279 1.00 0.00 H new ATOM 0 HH TYR A 65 62.204 4.698 -8.424 1.00 0.00 H new ATOM 956 N PRO A 66 68.000 -2.101 -10.206 1.00 0.00 N ATOM 957 CA PRO A 66 66.715 -2.657 -10.753 1.00 0.00 C ATOM 958 C PRO A 66 66.138 -3.703 -9.796 1.00 0.00 C ATOM 959 O PRO A 66 66.833 -4.190 -8.924 1.00 0.00 O ATOM 960 CB PRO A 66 67.143 -3.308 -12.067 1.00 0.00 C ATOM 961 CG PRO A 66 68.571 -3.676 -11.848 1.00 0.00 C ATOM 962 CD PRO A 66 69.154 -2.610 -10.963 1.00 0.00 C ATOM 0 HA PRO A 66 65.941 -1.901 -10.885 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.536 -4.185 -12.292 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.034 -2.620 -12.906 1.00 0.00 H new ATOM 0 HG2 PRO A 66 68.652 -4.657 -11.379 1.00 0.00 H new ATOM 0 HG3 PRO A 66 69.108 -3.730 -12.795 1.00 0.00 H new ATOM 0 HD2 PRO A 66 69.918 -3.016 -10.300 1.00 0.00 H new ATOM 0 HD3 PRO A 66 69.627 -1.821 -11.548 1.00 0.00 H new ATOM 970 N SER A 67 64.880 -4.047 -9.955 1.00 0.00 N ATOM 971 CA SER A 67 64.255 -5.083 -9.075 1.00 0.00 C ATOM 972 C SER A 67 64.164 -6.429 -9.825 1.00 0.00 C ATOM 973 O SER A 67 63.930 -6.425 -11.017 1.00 0.00 O ATOM 974 CB SER A 67 62.851 -4.556 -8.776 1.00 0.00 C ATOM 975 OG SER A 67 62.942 -3.406 -7.950 1.00 0.00 O ATOM 0 H SER A 67 64.258 -3.652 -10.660 1.00 0.00 H new ATOM 0 HA SER A 67 64.833 -5.254 -8.167 1.00 0.00 H new ATOM 0 HB2 SER A 67 62.338 -4.309 -9.706 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.260 -5.326 -8.281 1.00 0.00 H new ATOM 0 HG SER A 67 63.583 -2.774 -8.338 1.00 0.00 H new ATOM 981 N PRO A 68 64.348 -7.553 -9.143 1.00 0.00 N ATOM 982 CA PRO A 68 65.139 -7.648 -7.871 1.00 0.00 C ATOM 983 C PRO A 68 66.636 -7.473 -8.156 1.00 0.00 C ATOM 984 O PRO A 68 67.067 -7.568 -9.291 1.00 0.00 O ATOM 985 CB PRO A 68 64.844 -9.063 -7.374 1.00 0.00 C ATOM 986 CG PRO A 68 64.511 -9.828 -8.609 1.00 0.00 C ATOM 987 CD PRO A 68 63.806 -8.867 -9.524 1.00 0.00 C ATOM 0 HA PRO A 68 64.876 -6.880 -7.144 1.00 0.00 H new ATOM 0 HB2 PRO A 68 65.705 -9.492 -6.861 1.00 0.00 H new ATOM 0 HB3 PRO A 68 64.015 -9.071 -6.666 1.00 0.00 H new ATOM 0 HG2 PRO A 68 65.413 -10.221 -9.078 1.00 0.00 H new ATOM 0 HG3 PRO A 68 63.875 -10.682 -8.377 1.00 0.00 H new ATOM 0 HD2 PRO A 68 64.006 -9.093 -10.571 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.725 -8.907 -9.390 1.00 0.00 H new ATOM 995 N LEU A 69 67.419 -7.217 -7.130 1.00 0.00 N ATOM 996 CA LEU A 69 68.907 -7.160 -7.293 1.00 0.00 C ATOM 997 C LEU A 69 69.608 -7.739 -6.057 1.00 0.00 C ATOM 998 O LEU A 69 69.042 -7.766 -4.980 1.00 0.00 O ATOM 999 CB LEU A 69 69.251 -5.671 -7.488 1.00 0.00 C ATOM 1000 CG LEU A 69 68.834 -4.832 -6.262 1.00 0.00 C ATOM 1001 CD1 LEU A 69 69.983 -4.802 -5.243 1.00 0.00 C ATOM 1002 CD2 LEU A 69 68.493 -3.397 -6.698 1.00 0.00 C ATOM 0 H LEU A 69 67.086 -7.044 -6.181 1.00 0.00 H new ATOM 0 HA LEU A 69 69.245 -7.754 -8.142 1.00 0.00 H new ATOM 0 HB2 LEU A 69 70.322 -5.563 -7.658 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.747 -5.293 -8.378 1.00 0.00 H new ATOM 0 HG LEU A 69 67.954 -5.284 -5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.687 -4.209 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.213 -5.819 -4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.866 -4.357 -5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 69 68.200 -2.812 -5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 69 69.367 -2.941 -7.164 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.671 -3.420 -7.413 1.00 0.00 H new ATOM 1014 N ARG A 70 70.827 -8.202 -6.218 1.00 0.00 N ATOM 1015 CA ARG A 70 71.663 -8.576 -5.034 1.00 0.00 C ATOM 1016 C ARG A 70 72.474 -7.365 -4.568 1.00 0.00 C ATOM 1017 O ARG A 70 72.964 -6.594 -5.374 1.00 0.00 O ATOM 1018 CB ARG A 70 72.593 -9.695 -5.519 1.00 0.00 C ATOM 1019 CG ARG A 70 71.933 -11.057 -5.284 1.00 0.00 C ATOM 1020 CD ARG A 70 72.606 -12.113 -6.168 1.00 0.00 C ATOM 1021 NE ARG A 70 72.267 -11.735 -7.582 1.00 0.00 N ATOM 1022 CZ ARG A 70 72.997 -12.128 -8.613 1.00 0.00 C ATOM 1023 NH1 ARG A 70 74.061 -12.890 -8.480 1.00 0.00 N ATOM 1024 NH2 ARG A 70 72.643 -11.751 -9.811 1.00 0.00 N ATOM 0 H ARG A 70 71.279 -8.337 -7.123 1.00 0.00 H new ATOM 0 HA ARG A 70 71.056 -8.904 -4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 70 72.812 -9.565 -6.579 1.00 0.00 H new ATOM 0 HB3 ARG A 70 73.544 -9.645 -4.989 1.00 0.00 H new ATOM 0 HG2 ARG A 70 72.019 -11.338 -4.234 1.00 0.00 H new ATOM 0 HG3 ARG A 70 70.869 -11.001 -5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 70 73.685 -12.123 -6.013 1.00 0.00 H new ATOM 0 HD3 ARG A 70 72.241 -13.112 -5.931 1.00 0.00 H new ATOM 0 HE ARG A 70 71.445 -11.155 -7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 70 74.352 -13.202 -7.554 1.00 0.00 H new ATOM 0 HH12 ARG A 70 74.595 -13.169 -9.303 1.00 0.00 H new ATOM 0 HH21 ARG A 70 71.818 -11.165 -9.938 1.00 0.00 H new ATOM 0 HH22 ARG A 70 73.191 -12.042 -10.620 1.00 0.00 H new ATOM 1038 N VAL A 71 72.610 -7.203 -3.272 1.00 0.00 N ATOM 1039 CA VAL A 71 73.330 -6.009 -2.717 1.00 0.00 C ATOM 1040 C VAL A 71 74.841 -6.277 -2.737 1.00 0.00 C ATOM 1041 O VAL A 71 75.288 -7.345 -2.361 1.00 0.00 O ATOM 1042 CB VAL A 71 72.804 -5.834 -1.276 1.00 0.00 C ATOM 1043 CG1 VAL A 71 73.495 -4.647 -0.592 1.00 0.00 C ATOM 1044 CG2 VAL A 71 71.294 -5.569 -1.301 1.00 0.00 C ATOM 0 H VAL A 71 72.251 -7.850 -2.570 1.00 0.00 H new ATOM 0 HA VAL A 71 73.157 -5.104 -3.299 1.00 0.00 H new ATOM 0 HB VAL A 71 73.017 -6.749 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 71 73.112 -4.538 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 71 74.570 -4.823 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 71 73.294 -3.735 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 71 70.929 -5.446 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 71 71.093 -4.661 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 71 70.785 -6.411 -1.770 1.00 0.00 H new ATOM 1054 N GLU A 72 75.615 -5.309 -3.175 1.00 0.00 N ATOM 1055 CA GLU A 72 77.099 -5.487 -3.266 1.00 0.00 C ATOM 1056 C GLU A 72 77.811 -4.297 -2.621 1.00 0.00 C ATOM 1057 O GLU A 72 77.178 -3.350 -2.187 1.00 0.00 O ATOM 1058 CB GLU A 72 77.412 -5.534 -4.764 1.00 0.00 C ATOM 1059 CG GLU A 72 76.771 -6.773 -5.393 1.00 0.00 C ATOM 1060 CD GLU A 72 77.333 -6.986 -6.800 1.00 0.00 C ATOM 1061 OE1 GLU A 72 77.436 -6.014 -7.531 1.00 0.00 O ATOM 1062 OE2 GLU A 72 77.649 -8.119 -7.125 1.00 0.00 O ATOM 0 H GLU A 72 75.276 -4.395 -3.476 1.00 0.00 H new ATOM 0 HA GLU A 72 77.433 -6.388 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 72 77.037 -4.634 -5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 72 78.491 -5.554 -4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 72 76.968 -7.649 -4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 72 75.689 -6.651 -5.438 1.00 0.00 H new ATOM 1069 N ASP A 73 79.123 -4.347 -2.554 1.00 0.00 N ATOM 1070 CA ASP A 73 79.924 -3.134 -2.165 1.00 0.00 C ATOM 1071 C ASP A 73 79.720 -1.995 -3.175 1.00 0.00 C ATOM 1072 O ASP A 73 79.813 -0.832 -2.824 1.00 0.00 O ATOM 1073 CB ASP A 73 81.392 -3.581 -2.168 1.00 0.00 C ATOM 1074 CG ASP A 73 81.619 -4.613 -1.061 1.00 0.00 C ATOM 1075 OD1 ASP A 73 81.134 -4.393 0.037 1.00 0.00 O ATOM 1076 OD2 ASP A 73 82.276 -5.605 -1.330 1.00 0.00 O ATOM 0 H ASP A 73 79.678 -5.180 -2.753 1.00 0.00 H new ATOM 0 HA ASP A 73 79.615 -2.756 -1.190 1.00 0.00 H new ATOM 0 HB2 ASP A 73 81.650 -4.010 -3.136 1.00 0.00 H new ATOM 0 HB3 ASP A 73 82.044 -2.721 -2.016 1.00 0.00 H new ATOM 1081 N ARG A 74 79.442 -2.329 -4.418 1.00 0.00 N ATOM 1082 CA ARG A 74 79.255 -1.277 -5.473 1.00 0.00 C ATOM 1083 C ARG A 74 77.823 -0.721 -5.462 1.00 0.00 C ATOM 1084 O ARG A 74 77.586 0.366 -5.962 1.00 0.00 O ATOM 1085 CB ARG A 74 79.540 -1.977 -6.806 1.00 0.00 C ATOM 1086 CG ARG A 74 81.017 -2.369 -6.874 1.00 0.00 C ATOM 1087 CD ARG A 74 81.303 -3.052 -8.213 1.00 0.00 C ATOM 1088 NE ARG A 74 81.164 -1.969 -9.237 1.00 0.00 N ATOM 1089 CZ ARG A 74 82.110 -1.069 -9.448 1.00 0.00 C ATOM 1090 NH1 ARG A 74 83.240 -1.058 -8.775 1.00 0.00 N ATOM 1091 NH2 ARG A 74 81.915 -0.156 -10.360 1.00 0.00 N ATOM 0 H ARG A 74 79.337 -3.289 -4.747 1.00 0.00 H new ATOM 0 HA ARG A 74 79.918 -0.429 -5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 74 78.913 -2.863 -6.904 1.00 0.00 H new ATOM 0 HB3 ARG A 74 79.290 -1.316 -7.636 1.00 0.00 H new ATOM 0 HG2 ARG A 74 81.644 -1.484 -6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 74 81.264 -3.040 -6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 74 82.303 -3.485 -8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 74 80.601 -3.864 -8.400 1.00 0.00 H new ATOM 0 HE ARG A 74 80.309 -1.923 -9.792 1.00 0.00 H new ATOM 0 HH11 ARG A 74 83.413 -1.762 -8.058 1.00 0.00 H new ATOM 0 HH12 ARG A 74 83.943 -0.345 -8.970 1.00 0.00 H new ATOM 0 HH21 ARG A 74 81.046 -0.146 -10.894 1.00 0.00 H new ATOM 0 HH22 ARG A 74 82.632 0.548 -10.539 1.00 0.00 H new ATOM 1105 N THR A 75 76.875 -1.448 -4.905 1.00 0.00 N ATOM 1106 CA THR A 75 75.474 -0.917 -4.792 1.00 0.00 C ATOM 1107 C THR A 75 75.391 0.117 -3.665 1.00 0.00 C ATOM 1108 O THR A 75 75.821 -0.136 -2.553 1.00 0.00 O ATOM 1109 CB THR A 75 74.588 -2.127 -4.473 1.00 0.00 C ATOM 1110 OG1 THR A 75 74.871 -3.173 -5.391 1.00 0.00 O ATOM 1111 CG2 THR A 75 73.115 -1.727 -4.588 1.00 0.00 C ATOM 0 H THR A 75 77.012 -2.384 -4.525 1.00 0.00 H new ATOM 0 HA THR A 75 75.156 -0.423 -5.710 1.00 0.00 H new ATOM 0 HB THR A 75 74.790 -2.470 -3.458 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.307 -3.948 -5.188 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.486 -2.587 -4.361 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.900 -0.924 -3.883 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.909 -1.384 -5.602 1.00 0.00 H new ATOM 1119 N LYS A 76 74.840 1.276 -3.955 1.00 0.00 N ATOM 1120 CA LYS A 76 74.719 2.354 -2.919 1.00 0.00 C ATOM 1121 C LYS A 76 73.402 2.201 -2.154 1.00 0.00 C ATOM 1122 O LYS A 76 72.399 1.801 -2.717 1.00 0.00 O ATOM 1123 CB LYS A 76 74.730 3.673 -3.699 1.00 0.00 C ATOM 1124 CG LYS A 76 76.094 3.866 -4.368 1.00 0.00 C ATOM 1125 CD LYS A 76 76.084 5.161 -5.183 1.00 0.00 C ATOM 1126 CE LYS A 76 77.222 5.129 -6.206 1.00 0.00 C ATOM 1127 NZ LYS A 76 77.078 6.394 -6.979 1.00 0.00 N ATOM 0 H LYS A 76 74.467 1.522 -4.872 1.00 0.00 H new ATOM 0 HA LYS A 76 75.526 2.310 -2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 76 73.942 3.668 -4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 76 74.523 4.506 -3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 76 76.879 3.905 -3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.317 3.018 -5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 76 75.127 5.276 -5.692 1.00 0.00 H new ATOM 0 HD3 LYS A 76 76.199 6.020 -4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 76 78.193 5.075 -5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 76 77.144 4.258 -6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 77.824 6.446 -7.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 76.146 6.415 -7.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 77.163 7.206 -6.335 1.00 0.00 H new ATOM 1141 N ILE A 77 73.402 2.519 -0.878 1.00 0.00 N ATOM 1142 CA ILE A 77 72.143 2.435 -0.065 1.00 0.00 C ATOM 1143 C ILE A 77 71.893 3.785 0.624 1.00 0.00 C ATOM 1144 O ILE A 77 72.804 4.392 1.160 1.00 0.00 O ATOM 1145 CB ILE A 77 72.385 1.307 0.960 1.00 0.00 C ATOM 1146 CG1 ILE A 77 72.627 -0.018 0.224 1.00 0.00 C ATOM 1147 CG2 ILE A 77 71.160 1.142 1.871 1.00 0.00 C ATOM 1148 CD1 ILE A 77 73.183 -1.057 1.198 1.00 0.00 C ATOM 0 H ILE A 77 74.224 2.834 -0.363 1.00 0.00 H new ATOM 0 HA ILE A 77 71.262 2.219 -0.669 1.00 0.00 H new ATOM 0 HB ILE A 77 73.256 1.569 1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 77 71.695 -0.377 -0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 77 73.326 0.134 -0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 77 71.345 0.343 2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 77 70.976 2.074 2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 77 70.288 0.892 1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 77 73.353 -1.996 0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 77 74.125 -0.699 1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 77 72.468 -1.218 2.005 1.00 0.00 H new ATOM 1160 N THR A 78 70.660 4.244 0.606 1.00 0.00 N ATOM 1161 CA THR A 78 70.335 5.597 1.151 1.00 0.00 C ATOM 1162 C THR A 78 69.159 5.514 2.128 1.00 0.00 C ATOM 1163 O THR A 78 68.236 4.742 1.930 1.00 0.00 O ATOM 1164 CB THR A 78 69.953 6.431 -0.074 1.00 0.00 C ATOM 1165 OG1 THR A 78 70.953 6.287 -1.072 1.00 0.00 O ATOM 1166 CG2 THR A 78 69.835 7.903 0.323 1.00 0.00 C ATOM 0 H THR A 78 69.861 3.731 0.233 1.00 0.00 H new ATOM 0 HA THR A 78 71.170 6.030 1.701 1.00 0.00 H new ATOM 0 HB THR A 78 68.996 6.086 -0.464 1.00 0.00 H new ATOM 0 HG1 THR A 78 70.710 6.819 -1.858 1.00 0.00 H new ATOM 0 HG21 THR A 78 69.563 8.495 -0.551 1.00 0.00 H new ATOM 0 HG22 THR A 78 69.067 8.013 1.089 1.00 0.00 H new ATOM 0 HG23 THR A 78 70.791 8.252 0.714 1.00 0.00 H new ATOM 1174 N LEU A 79 69.196 6.303 3.179 1.00 0.00 N ATOM 1175 CA LEU A 79 68.045 6.376 4.131 1.00 0.00 C ATOM 1176 C LEU A 79 67.182 7.601 3.818 1.00 0.00 C ATOM 1177 O LEU A 79 67.664 8.721 3.826 1.00 0.00 O ATOM 1178 CB LEU A 79 68.682 6.509 5.516 1.00 0.00 C ATOM 1179 CG LEU A 79 69.415 5.214 5.874 1.00 0.00 C ATOM 1180 CD1 LEU A 79 70.400 5.483 7.013 1.00 0.00 C ATOM 1181 CD2 LEU A 79 68.399 4.161 6.319 1.00 0.00 C ATOM 0 H LEU A 79 69.984 6.905 3.417 1.00 0.00 H new ATOM 0 HA LEU A 79 67.397 5.502 4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.379 7.347 5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 79 67.915 6.722 6.261 1.00 0.00 H new ATOM 0 HG LEU A 79 69.958 4.851 5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 79 70.922 4.561 7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 79 71.124 6.235 6.698 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.857 5.846 7.886 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.920 3.238 6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 79 67.856 4.525 7.192 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.696 3.969 5.509 1.00 0.00 H new ATOM 1193 N VAL A 80 65.913 7.390 3.545 1.00 0.00 N ATOM 1194 CA VAL A 80 64.998 8.527 3.204 1.00 0.00 C ATOM 1195 C VAL A 80 64.278 9.004 4.474 1.00 0.00 C ATOM 1196 O VAL A 80 63.922 8.209 5.326 1.00 0.00 O ATOM 1197 CB VAL A 80 63.995 7.959 2.177 1.00 0.00 C ATOM 1198 CG1 VAL A 80 62.989 9.039 1.757 1.00 0.00 C ATOM 1199 CG2 VAL A 80 64.742 7.478 0.927 1.00 0.00 C ATOM 0 H VAL A 80 65.470 6.471 3.544 1.00 0.00 H new ATOM 0 HA VAL A 80 65.532 9.385 2.795 1.00 0.00 H new ATOM 0 HB VAL A 80 63.467 7.127 2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 80 62.289 8.622 1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.441 9.386 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.521 9.877 1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 80 64.027 7.079 0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.279 8.314 0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 80 65.451 6.698 1.205 1.00 0.00 H new ATOM 1209 N THR A 81 64.071 10.297 4.593 1.00 0.00 N ATOM 1210 CA THR A 81 63.244 10.843 5.711 1.00 0.00 C ATOM 1211 C THR A 81 62.472 12.080 5.241 1.00 0.00 C ATOM 1212 O THR A 81 62.803 12.672 4.229 1.00 0.00 O ATOM 1213 CB THR A 81 64.246 11.217 6.805 1.00 0.00 C ATOM 1214 OG1 THR A 81 65.257 12.048 6.253 1.00 0.00 O ATOM 1215 CG2 THR A 81 64.881 9.948 7.376 1.00 0.00 C ATOM 0 H THR A 81 64.445 11.000 3.956 1.00 0.00 H new ATOM 0 HA THR A 81 62.506 10.124 6.067 1.00 0.00 H new ATOM 0 HB THR A 81 63.730 11.751 7.603 1.00 0.00 H new ATOM 0 HG1 THR A 81 65.899 12.290 6.952 1.00 0.00 H new ATOM 0 HG21 THR A 81 65.594 10.217 8.155 1.00 0.00 H new ATOM 0 HG22 THR A 81 64.104 9.311 7.799 1.00 0.00 H new ATOM 0 HG23 THR A 81 65.398 9.410 6.581 1.00 0.00 H new ATOM 1223 N HIS A 82 61.449 12.464 5.973 1.00 0.00 N ATOM 1224 CA HIS A 82 60.622 13.649 5.581 1.00 0.00 C ATOM 1225 C HIS A 82 60.615 14.693 6.715 1.00 0.00 C ATOM 1226 O HIS A 82 59.830 14.571 7.640 1.00 0.00 O ATOM 1227 CB HIS A 82 59.216 13.089 5.349 1.00 0.00 C ATOM 1228 CG HIS A 82 58.391 13.913 4.399 1.00 0.00 C ATOM 1229 ND1 HIS A 82 58.026 13.451 3.145 1.00 0.00 N ATOM 1230 CD2 HIS A 82 57.851 15.171 4.507 1.00 0.00 C ATOM 1231 CE1 HIS A 82 57.300 14.416 2.553 1.00 0.00 C ATOM 1232 NE2 HIS A 82 57.162 15.486 3.340 1.00 0.00 N ATOM 0 H HIS A 82 61.151 12.001 6.832 1.00 0.00 H new ATOM 0 HA HIS A 82 61.010 14.152 4.695 1.00 0.00 H new ATOM 0 HB2 HIS A 82 59.297 12.074 4.960 1.00 0.00 H new ATOM 0 HB3 HIS A 82 58.697 13.024 6.305 1.00 0.00 H new ATOM 0 HD2 HIS A 82 57.947 15.817 5.367 1.00 0.00 H new ATOM 0 HE1 HIS A 82 56.880 14.335 1.561 1.00 0.00 H new ATOM 0 HE2 HIS A 82 56.660 16.349 3.131 1.00 0.00 H new ATOM 1240 N PRO A 83 61.486 15.693 6.626 1.00 0.00 N ATOM 1241 CA PRO A 83 61.517 16.770 7.660 1.00 0.00 C ATOM 1242 C PRO A 83 60.212 17.578 7.638 1.00 0.00 C ATOM 1243 O PRO A 83 59.843 18.098 8.678 1.00 0.00 O ATOM 1244 CB PRO A 83 62.715 17.646 7.264 1.00 0.00 C ATOM 1245 CG PRO A 83 63.487 16.848 6.264 1.00 0.00 C ATOM 1246 CD PRO A 83 62.513 15.924 5.593 1.00 0.00 C ATOM 1247 OXT PRO A 83 59.608 17.660 6.581 1.00 0.00 O ATOM 0 HA PRO A 83 61.612 16.376 8.672 1.00 0.00 H new ATOM 0 HB2 PRO A 83 62.384 18.593 6.838 1.00 0.00 H new ATOM 0 HB3 PRO A 83 63.329 17.885 8.132 1.00 0.00 H new ATOM 0 HG2 PRO A 83 63.964 17.502 5.534 1.00 0.00 H new ATOM 0 HG3 PRO A 83 64.281 16.283 6.752 1.00 0.00 H new ATOM 0 HD2 PRO A 83 62.086 16.374 4.697 1.00 0.00 H new ATOM 0 HD3 PRO A 83 62.990 14.993 5.286 1.00 0.00 H new TER 1255 PRO A 83