USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 30 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0071) USER MOD Single : A 0 MET CE :methyl 178:sc= 0 (180deg=-0.00656) USER MOD Single : A 0 MET N :NH3+ 134:sc= 0.0753 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 159:sc= 0.997 (180deg=0.753) USER MOD Single : A 4 TYR OH : rot 30:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0.921 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 7 THR OG1 : rot -101:sc= 0.713 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -15:sc= 1.02 USER MOD Single : A 26 GLN : amide:sc= 0.629 K(o=0.63,f=-2.1!) USER MOD Single : A 31 HIS : no HD1:sc= -0.183 K(o=-0.18,f=-0.8) USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 1.07 (180deg=1.06) USER MOD Single : A 35 ASN : amide:sc= -1.76! C(o=-1.8!,f=-1.5!) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc= -0.0109 (180deg=-0.102) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -36:sc= 1.21 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -144:sc= 1.29 (180deg=-0.358) USER MOD Single : A 74 SER OG : rot 24:sc= 0.867 USER MOD Single : A 76 CYS SG : rot 36:sc= -0.0238 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 11.875 -6.992 6.441 1.00 0.00 N ATOM 2 CA MET A 0 11.221 -7.746 5.357 1.00 0.00 C ATOM 3 C MET A 0 9.743 -7.478 5.310 1.00 0.00 C ATOM 4 O MET A 0 9.157 -7.101 6.319 1.00 0.00 O ATOM 5 CB MET A 0 11.478 -9.260 5.431 1.00 0.00 C ATOM 6 CG MET A 0 12.627 -9.654 4.507 1.00 0.00 C ATOM 7 SD MET A 0 13.091 -11.398 4.555 1.00 0.00 S ATOM 8 CE MET A 0 11.690 -12.133 3.682 1.00 0.00 C ATOM 0 H1 MET A 0 12.518 -7.621 6.963 1.00 0.00 H new ATOM 0 H2 MET A 0 12.417 -6.202 6.036 1.00 0.00 H new ATOM 0 H3 MET A 0 11.153 -6.620 7.090 1.00 0.00 H new ATOM 0 HA MET A 0 11.677 -7.385 4.435 1.00 0.00 H new ATOM 0 HB2 MET A 0 11.714 -9.545 6.456 1.00 0.00 H new ATOM 0 HB3 MET A 0 10.575 -9.802 5.150 1.00 0.00 H new ATOM 0 HG2 MET A 0 12.354 -9.396 3.484 1.00 0.00 H new ATOM 0 HG3 MET A 0 13.501 -9.055 4.765 1.00 0.00 H new ATOM 0 HE1 MET A 0 11.840 -13.209 3.594 1.00 0.00 H new ATOM 0 HE2 MET A 0 10.773 -11.939 4.238 1.00 0.00 H new ATOM 0 HE3 MET A 0 11.611 -11.695 2.687 1.00 0.00 H new ATOM 18 N GLY A 1 9.170 -7.625 4.111 1.00 0.00 N ATOM 19 CA GLY A 1 7.804 -7.255 3.772 1.00 0.00 C ATOM 20 C GLY A 1 7.656 -5.740 3.638 1.00 0.00 C ATOM 21 O GLY A 1 7.007 -5.267 2.710 1.00 0.00 O ATOM 0 H GLY A 1 9.674 -8.024 3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.517 -7.735 2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.124 -7.622 4.541 1.00 0.00 H new ATOM 25 N LYS A 2 8.323 -4.981 4.510 1.00 0.00 N ATOM 26 CA LYS A 2 8.144 -3.543 4.677 1.00 0.00 C ATOM 27 C LYS A 2 8.672 -2.856 3.424 1.00 0.00 C ATOM 28 O LYS A 2 9.892 -2.822 3.258 1.00 0.00 O ATOM 29 CB LYS A 2 8.865 -3.109 5.974 1.00 0.00 C ATOM 30 CG LYS A 2 8.325 -1.817 6.603 1.00 0.00 C ATOM 31 CD LYS A 2 9.248 -0.591 6.570 1.00 0.00 C ATOM 32 CE LYS A 2 9.579 -0.080 5.168 1.00 0.00 C ATOM 33 NZ LYS A 2 8.420 0.518 4.476 1.00 0.00 N ATOM 0 H LYS A 2 9.026 -5.367 5.140 1.00 0.00 H new ATOM 0 HA LYS A 2 7.097 -3.259 4.787 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.786 -3.914 6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.925 -2.977 5.758 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.396 -1.556 6.097 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.074 -2.025 7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.780 0.215 7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.178 -0.839 7.081 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.374 0.662 5.238 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.965 -0.905 4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.755 1.146 3.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.833 -0.237 4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.855 1.066 5.156 1.00 0.00 H new ATOM 47 N ASP A 3 7.792 -2.409 2.525 1.00 0.00 N ATOM 48 CA ASP A 3 8.085 -1.793 1.216 1.00 0.00 C ATOM 49 C ASP A 3 6.769 -1.327 0.564 1.00 0.00 C ATOM 50 O ASP A 3 6.581 -1.447 -0.639 1.00 0.00 O ATOM 51 CB ASP A 3 8.894 -2.764 0.327 1.00 0.00 C ATOM 52 CG ASP A 3 9.144 -2.271 -1.099 1.00 0.00 C ATOM 53 OD1 ASP A 3 9.652 -1.143 -1.262 1.00 0.00 O ATOM 54 OD2 ASP A 3 8.926 -3.045 -2.062 1.00 0.00 O ATOM 0 H ASP A 3 6.788 -2.469 2.697 1.00 0.00 H new ATOM 0 HA ASP A 3 8.712 -0.912 1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.855 -2.956 0.804 1.00 0.00 H new ATOM 0 HB3 ASP A 3 8.366 -3.716 0.280 1.00 0.00 H new ATOM 59 N TYR A 4 5.826 -0.815 1.368 1.00 0.00 N ATOM 60 CA TYR A 4 4.529 -0.210 1.026 1.00 0.00 C ATOM 61 C TYR A 4 3.768 -0.874 -0.133 1.00 0.00 C ATOM 62 O TYR A 4 2.820 -1.609 0.119 1.00 0.00 O ATOM 63 CB TYR A 4 4.656 1.309 0.825 1.00 0.00 C ATOM 64 CG TYR A 4 5.272 2.050 1.999 1.00 0.00 C ATOM 65 CD1 TYR A 4 4.475 2.461 3.087 1.00 0.00 C ATOM 66 CD2 TYR A 4 6.654 2.318 2.010 1.00 0.00 C ATOM 67 CE1 TYR A 4 5.059 3.126 4.181 1.00 0.00 C ATOM 68 CE2 TYR A 4 7.235 3.009 3.083 1.00 0.00 C ATOM 69 CZ TYR A 4 6.445 3.404 4.181 1.00 0.00 C ATOM 70 OH TYR A 4 7.045 3.992 5.249 1.00 0.00 O ATOM 0 H TYR A 4 5.967 -0.814 2.378 1.00 0.00 H new ATOM 0 HA TYR A 4 3.903 -0.403 1.897 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.259 1.496 -0.063 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.666 1.721 0.631 1.00 0.00 H new ATOM 0 HD1 TYR A 4 3.413 2.265 3.081 1.00 0.00 H new ATOM 0 HD2 TYR A 4 7.271 1.989 1.187 1.00 0.00 H new ATOM 0 HE1 TYR A 4 4.448 3.424 5.021 1.00 0.00 H new ATOM 0 HE2 TYR A 4 8.290 3.239 3.068 1.00 0.00 H new ATOM 0 HH TYR A 4 6.569 3.744 6.069 1.00 0.00 H new ATOM 80 N TYR A 5 4.156 -0.631 -1.389 1.00 0.00 N ATOM 81 CA TYR A 5 3.691 -1.355 -2.566 1.00 0.00 C ATOM 82 C TYR A 5 3.654 -2.856 -2.275 1.00 0.00 C ATOM 83 O TYR A 5 2.632 -3.504 -2.493 1.00 0.00 O ATOM 84 CB TYR A 5 4.634 -1.070 -3.745 1.00 0.00 C ATOM 85 CG TYR A 5 4.448 0.252 -4.467 1.00 0.00 C ATOM 86 CD1 TYR A 5 4.707 1.472 -3.814 1.00 0.00 C ATOM 87 CD2 TYR A 5 4.099 0.258 -5.831 1.00 0.00 C ATOM 88 CE1 TYR A 5 4.624 2.681 -4.520 1.00 0.00 C ATOM 89 CE2 TYR A 5 4.071 1.459 -6.561 1.00 0.00 C ATOM 90 CZ TYR A 5 4.365 2.673 -5.905 1.00 0.00 C ATOM 91 OH TYR A 5 4.430 3.840 -6.597 1.00 0.00 O ATOM 0 H TYR A 5 4.827 0.103 -1.617 1.00 0.00 H new ATOM 0 HA TYR A 5 2.684 -1.023 -2.821 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.659 -1.115 -3.378 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.520 -1.873 -4.473 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.970 1.477 -2.767 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.850 -0.671 -6.322 1.00 0.00 H new ATOM 0 HE1 TYR A 5 4.759 3.619 -4.002 1.00 0.00 H new ATOM 0 HE2 TYR A 5 3.827 1.452 -7.613 1.00 0.00 H new ATOM 0 HH TYR A 5 4.228 3.672 -7.541 1.00 0.00 H new ATOM 101 N GLN A 6 4.743 -3.413 -1.746 1.00 0.00 N ATOM 102 CA GLN A 6 4.827 -4.829 -1.429 1.00 0.00 C ATOM 103 C GLN A 6 3.806 -5.208 -0.357 1.00 0.00 C ATOM 104 O GLN A 6 3.094 -6.196 -0.522 1.00 0.00 O ATOM 105 CB GLN A 6 6.254 -5.173 -0.972 1.00 0.00 C ATOM 106 CG GLN A 6 6.947 -6.264 -1.795 1.00 0.00 C ATOM 107 CD GLN A 6 6.283 -7.635 -1.725 1.00 0.00 C ATOM 108 OE1 GLN A 6 5.585 -7.980 -0.776 1.00 0.00 O ATOM 109 NE2 GLN A 6 6.512 -8.463 -2.728 1.00 0.00 N ATOM 0 H GLN A 6 5.591 -2.890 -1.527 1.00 0.00 H new ATOM 0 HA GLN A 6 4.595 -5.405 -2.325 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.861 -4.268 -1.010 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.220 -5.490 0.070 1.00 0.00 H new ATOM 0 HG2 GLN A 6 6.983 -5.946 -2.837 1.00 0.00 H new ATOM 0 HG3 GLN A 6 7.978 -6.357 -1.454 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.093 -8.166 -3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.107 -9.399 -2.719 1.00 0.00 H new ATOM 118 N THR A 7 3.661 -4.405 0.698 1.00 0.00 N ATOM 119 CA THR A 7 2.677 -4.638 1.747 1.00 0.00 C ATOM 120 C THR A 7 1.239 -4.584 1.213 1.00 0.00 C ATOM 121 O THR A 7 0.359 -5.296 1.701 1.00 0.00 O ATOM 122 CB THR A 7 2.899 -3.553 2.814 1.00 0.00 C ATOM 123 OG1 THR A 7 4.243 -3.557 3.261 1.00 0.00 O ATOM 124 CG2 THR A 7 1.935 -3.684 3.984 1.00 0.00 C ATOM 0 H THR A 7 4.228 -3.570 0.846 1.00 0.00 H new ATOM 0 HA THR A 7 2.807 -5.637 2.162 1.00 0.00 H new ATOM 0 HB THR A 7 2.692 -2.593 2.342 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.298 -4.012 4.127 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.133 -2.895 4.709 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.910 -3.596 3.623 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.070 -4.656 4.459 1.00 0.00 H new ATOM 132 N LEU A 8 1.012 -3.845 0.135 1.00 0.00 N ATOM 133 CA LEU A 8 -0.271 -3.744 -0.550 1.00 0.00 C ATOM 134 C LEU A 8 -0.431 -4.917 -1.537 1.00 0.00 C ATOM 135 O LEU A 8 -1.545 -5.245 -1.928 1.00 0.00 O ATOM 136 CB LEU A 8 -0.345 -2.340 -1.181 1.00 0.00 C ATOM 137 CG LEU A 8 -1.731 -1.745 -1.497 1.00 0.00 C ATOM 138 CD1 LEU A 8 -2.424 -2.420 -2.669 1.00 0.00 C ATOM 139 CD2 LEU A 8 -2.676 -1.699 -0.298 1.00 0.00 C ATOM 0 H LEU A 8 1.740 -3.280 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.120 -3.838 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.167 -1.649 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.224 -2.364 -2.110 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.506 -0.716 -1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.394 -1.952 -2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.811 -2.315 -3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.565 -3.478 -2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.629 -1.267 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.838 -2.710 0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.236 -1.087 0.489 1.00 0.00 H new ATOM 151 N GLY A 9 0.656 -5.629 -1.854 1.00 0.00 N ATOM 152 CA GLY A 9 0.663 -6.908 -2.555 1.00 0.00 C ATOM 153 C GLY A 9 1.390 -6.856 -3.898 1.00 0.00 C ATOM 154 O GLY A 9 1.079 -7.668 -4.771 1.00 0.00 O ATOM 0 H GLY A 9 1.595 -5.311 -1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.136 -7.659 -1.922 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.365 -7.231 -2.718 1.00 0.00 H new ATOM 158 N LEU A 10 2.289 -5.894 -4.115 1.00 0.00 N ATOM 159 CA LEU A 10 2.747 -5.482 -5.443 1.00 0.00 C ATOM 160 C LEU A 10 4.277 -5.497 -5.539 1.00 0.00 C ATOM 161 O LEU A 10 4.964 -6.040 -4.669 1.00 0.00 O ATOM 162 CB LEU A 10 2.211 -4.071 -5.730 1.00 0.00 C ATOM 163 CG LEU A 10 0.680 -3.937 -5.739 1.00 0.00 C ATOM 164 CD1 LEU A 10 0.332 -2.515 -5.323 1.00 0.00 C ATOM 165 CD2 LEU A 10 0.101 -4.277 -7.115 1.00 0.00 C ATOM 0 H LEU A 10 2.727 -5.370 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 10 2.369 -6.187 -6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.614 -3.388 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.593 -3.745 -6.698 1.00 0.00 H new ATOM 0 HG LEU A 10 0.239 -4.645 -5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.751 -2.391 -5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.721 -2.323 -4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.776 -1.811 -6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.984 -4.173 -7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.513 -3.598 -7.861 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.361 -5.303 -7.376 1.00 0.00 H new ATOM 177 N ALA A 11 4.807 -4.906 -6.610 1.00 0.00 N ATOM 178 CA ALA A 11 6.195 -4.517 -6.780 1.00 0.00 C ATOM 179 C ALA A 11 6.269 -3.015 -7.017 1.00 0.00 C ATOM 180 O ALA A 11 5.270 -2.386 -7.384 1.00 0.00 O ATOM 181 CB ALA A 11 6.762 -5.193 -8.024 1.00 0.00 C ATOM 0 H ALA A 11 4.240 -4.675 -7.426 1.00 0.00 H new ATOM 0 HA ALA A 11 6.754 -4.804 -5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.804 -4.902 -8.153 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.699 -6.275 -7.911 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.188 -4.886 -8.898 1.00 0.00 H new ATOM 187 N ARG A 12 7.492 -2.484 -6.962 1.00 0.00 N ATOM 188 CA ARG A 12 7.828 -1.214 -7.584 1.00 0.00 C ATOM 189 C ARG A 12 7.431 -1.341 -9.052 1.00 0.00 C ATOM 190 O ARG A 12 7.866 -2.278 -9.727 1.00 0.00 O ATOM 191 CB ARG A 12 9.328 -0.893 -7.458 1.00 0.00 C ATOM 192 CG ARG A 12 9.813 -0.631 -6.025 1.00 0.00 C ATOM 193 CD ARG A 12 10.117 -1.907 -5.230 1.00 0.00 C ATOM 194 NE ARG A 12 10.653 -1.585 -3.906 1.00 0.00 N ATOM 195 CZ ARG A 12 11.905 -1.264 -3.574 1.00 0.00 C ATOM 196 NH1 ARG A 12 12.899 -1.304 -4.458 1.00 0.00 N ATOM 197 NH2 ARG A 12 12.134 -0.886 -2.328 1.00 0.00 N ATOM 0 H ARG A 12 8.275 -2.928 -6.482 1.00 0.00 H new ATOM 0 HA ARG A 12 7.301 -0.397 -7.091 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.899 -1.723 -7.874 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.550 -0.017 -8.067 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.712 -0.015 -6.063 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.054 -0.056 -5.494 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.208 -2.499 -5.124 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.834 -2.519 -5.778 1.00 0.00 H new ATOM 0 HE ARG A 12 9.982 -1.609 -3.138 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.714 -1.586 -5.421 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.846 -1.053 -4.173 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.366 -0.847 -1.657 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.078 -0.633 -2.037 1.00 0.00 H new ATOM 211 N GLY A 13 6.581 -0.439 -9.516 1.00 0.00 N ATOM 212 CA GLY A 13 6.092 -0.371 -10.884 1.00 0.00 C ATOM 213 C GLY A 13 4.591 -0.610 -11.000 1.00 0.00 C ATOM 214 O GLY A 13 4.061 -0.588 -12.113 1.00 0.00 O ATOM 0 H GLY A 13 6.196 0.297 -8.924 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.330 0.608 -11.299 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.618 -1.110 -11.488 1.00 0.00 H new ATOM 218 N ALA A 14 3.891 -0.869 -9.891 1.00 0.00 N ATOM 219 CA ALA A 14 2.439 -0.993 -9.878 1.00 0.00 C ATOM 220 C ALA A 14 1.801 0.297 -10.388 1.00 0.00 C ATOM 221 O ALA A 14 2.033 1.358 -9.804 1.00 0.00 O ATOM 222 CB ALA A 14 1.964 -1.297 -8.462 1.00 0.00 C ATOM 0 H ALA A 14 4.322 -0.998 -8.976 1.00 0.00 H new ATOM 0 HA ALA A 14 2.140 -1.811 -10.534 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.878 -1.389 -8.454 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.410 -2.231 -8.121 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.264 -0.488 -7.796 1.00 0.00 H new ATOM 228 N SER A 15 1.015 0.207 -11.464 1.00 0.00 N ATOM 229 CA SER A 15 0.254 1.350 -11.947 1.00 0.00 C ATOM 230 C SER A 15 -0.924 1.607 -11.010 1.00 0.00 C ATOM 231 O SER A 15 -1.240 0.784 -10.149 1.00 0.00 O ATOM 232 CB SER A 15 -0.181 1.116 -13.402 1.00 0.00 C ATOM 233 OG SER A 15 -1.253 0.195 -13.502 1.00 0.00 O ATOM 0 H SER A 15 0.893 -0.645 -12.012 1.00 0.00 H new ATOM 0 HA SER A 15 0.874 2.247 -11.945 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.478 2.066 -13.847 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.668 0.746 -13.977 1.00 0.00 H new ATOM 0 HG SER A 15 -1.497 0.078 -14.444 1.00 0.00 H new ATOM 239 N ASP A 16 -1.624 2.717 -11.208 1.00 0.00 N ATOM 240 CA ASP A 16 -2.683 3.177 -10.322 1.00 0.00 C ATOM 241 C ASP A 16 -3.846 2.182 -10.206 1.00 0.00 C ATOM 242 O ASP A 16 -4.429 2.069 -9.126 1.00 0.00 O ATOM 243 CB ASP A 16 -3.200 4.554 -10.758 1.00 0.00 C ATOM 244 CG ASP A 16 -4.068 4.471 -12.012 1.00 0.00 C ATOM 245 OD1 ASP A 16 -3.500 4.295 -13.118 1.00 0.00 O ATOM 246 OD2 ASP A 16 -5.305 4.593 -11.897 1.00 0.00 O ATOM 0 H ASP A 16 -1.467 3.334 -12.005 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.238 3.258 -9.330 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.777 4.998 -9.947 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.354 5.215 -10.946 1.00 0.00 H new ATOM 251 N GLU A 17 -4.189 1.443 -11.270 1.00 0.00 N ATOM 252 CA GLU A 17 -5.253 0.438 -11.213 1.00 0.00 C ATOM 253 C GLU A 17 -4.696 -0.899 -10.725 1.00 0.00 C ATOM 254 O GLU A 17 -5.452 -1.713 -10.212 1.00 0.00 O ATOM 255 CB GLU A 17 -5.979 0.280 -12.565 1.00 0.00 C ATOM 256 CG GLU A 17 -7.519 0.250 -12.453 1.00 0.00 C ATOM 257 CD GLU A 17 -8.150 -0.932 -11.694 1.00 0.00 C ATOM 258 OE1 GLU A 17 -7.870 -2.109 -12.019 1.00 0.00 O ATOM 259 OE2 GLU A 17 -9.045 -0.684 -10.850 1.00 0.00 O ATOM 0 H GLU A 17 -3.741 1.525 -12.183 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.997 0.787 -10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.689 1.102 -13.219 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.642 -0.641 -13.041 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.840 1.172 -11.968 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.931 0.261 -13.462 1.00 0.00 H new ATOM 266 N GLU A 18 -3.384 -1.141 -10.825 1.00 0.00 N ATOM 267 CA GLU A 18 -2.782 -2.327 -10.235 1.00 0.00 C ATOM 268 C GLU A 18 -2.803 -2.135 -8.725 1.00 0.00 C ATOM 269 O GLU A 18 -3.177 -3.034 -7.977 1.00 0.00 O ATOM 270 CB GLU A 18 -1.350 -2.531 -10.752 1.00 0.00 C ATOM 271 CG GLU A 18 -1.072 -4.042 -10.837 1.00 0.00 C ATOM 272 CD GLU A 18 0.388 -4.435 -11.090 1.00 0.00 C ATOM 273 OE1 GLU A 18 1.114 -3.717 -11.816 1.00 0.00 O ATOM 274 OE2 GLU A 18 0.811 -5.510 -10.590 1.00 0.00 O ATOM 0 H GLU A 18 -2.726 -0.529 -11.309 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.340 -3.221 -10.511 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.232 -2.068 -11.732 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.634 -2.051 -10.084 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.398 -4.506 -9.906 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.686 -4.462 -11.634 1.00 0.00 H new ATOM 281 N ILE A 19 -2.498 -0.905 -8.309 1.00 0.00 N ATOM 282 CA ILE A 19 -2.645 -0.399 -6.967 1.00 0.00 C ATOM 283 C ILE A 19 -4.084 -0.636 -6.528 1.00 0.00 C ATOM 284 O ILE A 19 -4.282 -1.348 -5.554 1.00 0.00 O ATOM 285 CB ILE A 19 -2.156 1.067 -6.898 1.00 0.00 C ATOM 286 CG1 ILE A 19 -0.617 1.032 -6.768 1.00 0.00 C ATOM 287 CG2 ILE A 19 -2.840 1.889 -5.789 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.069 2.391 -6.895 1.00 0.00 C ATOM 0 H ILE A 19 -2.121 -0.204 -8.946 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.015 -0.927 -6.251 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.440 1.592 -7.810 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.358 0.599 -5.802 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.217 0.366 -7.533 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.450 2.907 -5.797 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.916 1.911 -5.963 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.639 1.431 -4.820 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.147 2.266 -6.790 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.153 2.821 -7.872 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.296 3.057 -6.114 1.00 0.00 H new ATOM 300 N LYS A 20 -5.079 -0.085 -7.230 1.00 0.00 N ATOM 301 CA LYS A 20 -6.497 -0.182 -6.872 1.00 0.00 C ATOM 302 C LYS A 20 -6.992 -1.633 -6.814 1.00 0.00 C ATOM 303 O LYS A 20 -7.730 -2.003 -5.900 1.00 0.00 O ATOM 304 CB LYS A 20 -7.307 0.637 -7.879 1.00 0.00 C ATOM 305 CG LYS A 20 -8.695 1.012 -7.350 1.00 0.00 C ATOM 306 CD LYS A 20 -9.401 1.824 -8.436 1.00 0.00 C ATOM 307 CE LYS A 20 -10.831 2.197 -8.054 1.00 0.00 C ATOM 308 NZ LYS A 20 -11.510 2.836 -9.199 1.00 0.00 N ATOM 0 H LYS A 20 -4.917 0.453 -8.082 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.631 0.218 -5.867 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.759 1.546 -8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.415 0.067 -8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.267 0.116 -7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.610 1.593 -6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.832 2.733 -8.632 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.414 1.250 -9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.378 1.306 -7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.823 2.875 -7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.483 3.087 -8.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.994 3.696 -9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.532 2.176 -10.002 1.00 0.00 H new ATOM 322 N ARG A 21 -6.578 -2.469 -7.765 1.00 0.00 N ATOM 323 CA ARG A 21 -6.869 -3.897 -7.794 1.00 0.00 C ATOM 324 C ARG A 21 -6.380 -4.530 -6.505 1.00 0.00 C ATOM 325 O ARG A 21 -7.167 -5.154 -5.787 1.00 0.00 O ATOM 326 CB ARG A 21 -6.166 -4.506 -9.012 1.00 0.00 C ATOM 327 CG ARG A 21 -6.381 -6.012 -9.193 1.00 0.00 C ATOM 328 CD ARG A 21 -5.511 -6.517 -10.353 1.00 0.00 C ATOM 329 NE ARG A 21 -6.304 -6.976 -11.505 1.00 0.00 N ATOM 330 CZ ARG A 21 -6.806 -6.200 -12.474 1.00 0.00 C ATOM 331 NH1 ARG A 21 -6.749 -4.876 -12.401 1.00 0.00 N ATOM 332 NH2 ARG A 21 -7.373 -6.747 -13.537 1.00 0.00 N ATOM 0 H ARG A 21 -6.015 -2.160 -8.558 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.941 -4.077 -7.876 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.514 -3.993 -9.909 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.096 -4.313 -8.930 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.124 -6.540 -8.275 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.432 -6.218 -9.396 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.842 -5.718 -10.674 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.884 -7.336 -10.001 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.488 -7.977 -11.571 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.316 -4.428 -11.594 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.139 -4.307 -13.152 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.429 -7.762 -13.620 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.755 -6.154 -14.274 1.00 0.00 H new ATOM 346 N ALA A 22 -5.079 -4.388 -6.258 1.00 0.00 N ATOM 347 CA ALA A 22 -4.394 -4.921 -5.099 1.00 0.00 C ATOM 348 C ALA A 22 -5.036 -4.401 -3.815 1.00 0.00 C ATOM 349 O ALA A 22 -5.267 -5.201 -2.924 1.00 0.00 O ATOM 350 CB ALA A 22 -2.904 -4.617 -5.194 1.00 0.00 C ATOM 0 H ALA A 22 -4.457 -3.879 -6.887 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.495 -6.006 -5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.394 -5.020 -4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.496 -5.075 -6.095 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.755 -3.538 -5.236 1.00 0.00 H new ATOM 356 N TYR A 23 -5.410 -3.121 -3.739 1.00 0.00 N ATOM 357 CA TYR A 23 -6.074 -2.442 -2.639 1.00 0.00 C ATOM 358 C TYR A 23 -7.206 -3.293 -2.082 1.00 0.00 C ATOM 359 O TYR A 23 -7.120 -3.808 -0.965 1.00 0.00 O ATOM 360 CB TYR A 23 -6.602 -1.112 -3.216 1.00 0.00 C ATOM 361 CG TYR A 23 -6.396 0.149 -2.448 1.00 0.00 C ATOM 362 CD1 TYR A 23 -5.104 0.694 -2.344 1.00 0.00 C ATOM 363 CD2 TYR A 23 -7.527 0.873 -2.039 1.00 0.00 C ATOM 364 CE1 TYR A 23 -4.934 1.969 -1.790 1.00 0.00 C ATOM 365 CE2 TYR A 23 -7.367 2.153 -1.507 1.00 0.00 C ATOM 366 CZ TYR A 23 -6.075 2.683 -1.368 1.00 0.00 C ATOM 367 OH TYR A 23 -5.960 3.900 -0.779 1.00 0.00 O ATOM 0 H TYR A 23 -5.238 -2.484 -4.517 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.391 -2.263 -1.809 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.146 -0.976 -4.197 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.674 -1.227 -3.376 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -4.248 0.133 -2.689 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.513 0.443 -2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.948 2.397 -1.688 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.229 2.730 -1.205 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.031 4.042 -0.501 1.00 0.00 H new ATOM 377 N ARG A 24 -8.255 -3.482 -2.887 1.00 0.00 N ATOM 378 CA ARG A 24 -9.440 -4.197 -2.455 1.00 0.00 C ATOM 379 C ARG A 24 -9.095 -5.651 -2.183 1.00 0.00 C ATOM 380 O ARG A 24 -9.640 -6.231 -1.252 1.00 0.00 O ATOM 381 CB ARG A 24 -10.539 -4.048 -3.511 1.00 0.00 C ATOM 382 CG ARG A 24 -11.873 -4.597 -2.996 1.00 0.00 C ATOM 383 CD ARG A 24 -12.955 -4.394 -4.053 1.00 0.00 C ATOM 384 NE ARG A 24 -14.276 -4.730 -3.513 1.00 0.00 N ATOM 385 CZ ARG A 24 -14.913 -5.900 -3.557 1.00 0.00 C ATOM 386 NH1 ARG A 24 -14.324 -6.967 -4.089 1.00 0.00 N ATOM 387 NH2 ARG A 24 -16.137 -5.983 -3.046 1.00 0.00 N ATOM 0 H ARG A 24 -8.299 -3.143 -3.848 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.817 -3.774 -1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.653 -2.997 -3.777 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.250 -4.577 -4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.775 -5.657 -2.761 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.154 -4.091 -2.073 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.948 -3.359 -4.393 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.743 -5.017 -4.922 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.771 -3.971 -3.044 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.379 -6.893 -4.466 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.817 -7.859 -4.120 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.573 -5.160 -2.630 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.641 -6.870 -3.070 1.00 0.00 H new ATOM 401 N ARG A 25 -8.193 -6.246 -2.968 1.00 0.00 N ATOM 402 CA ARG A 25 -7.748 -7.616 -2.759 1.00 0.00 C ATOM 403 C ARG A 25 -7.124 -7.778 -1.376 1.00 0.00 C ATOM 404 O ARG A 25 -7.547 -8.672 -0.649 1.00 0.00 O ATOM 405 CB ARG A 25 -6.787 -8.033 -3.887 1.00 0.00 C ATOM 406 CG ARG A 25 -7.466 -8.910 -4.944 1.00 0.00 C ATOM 407 CD ARG A 25 -7.610 -10.338 -4.404 1.00 0.00 C ATOM 408 NE ARG A 25 -8.297 -11.234 -5.341 1.00 0.00 N ATOM 409 CZ ARG A 25 -9.621 -11.353 -5.474 1.00 0.00 C ATOM 410 NH1 ARG A 25 -10.439 -10.499 -4.867 1.00 0.00 N ATOM 411 NH2 ARG A 25 -10.120 -12.337 -6.206 1.00 0.00 N ATOM 0 H ARG A 25 -7.754 -5.786 -3.766 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.609 -8.284 -2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.384 -7.140 -4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.943 -8.574 -3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.446 -8.504 -5.195 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.878 -8.914 -5.862 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.621 -10.740 -4.184 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.160 -10.312 -3.464 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.714 -11.816 -5.942 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.057 -9.746 -4.295 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -11.449 -10.597 -4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.494 -12.999 -6.665 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.130 -12.433 -6.311 1.00 0.00 H new ATOM 425 N GLN A 26 -6.153 -6.946 -1.005 1.00 0.00 N ATOM 426 CA GLN A 26 -5.432 -7.009 0.242 1.00 0.00 C ATOM 427 C GLN A 26 -6.370 -6.705 1.402 1.00 0.00 C ATOM 428 O GLN A 26 -6.355 -7.421 2.402 1.00 0.00 O ATOM 429 CB GLN A 26 -4.290 -5.974 0.168 1.00 0.00 C ATOM 430 CG GLN A 26 -3.029 -6.449 0.870 1.00 0.00 C ATOM 431 CD GLN A 26 -2.237 -7.524 0.121 1.00 0.00 C ATOM 432 OE1 GLN A 26 -2.774 -8.376 -0.585 1.00 0.00 O ATOM 433 NE2 GLN A 26 -0.932 -7.547 0.312 1.00 0.00 N ATOM 0 H GLN A 26 -5.841 -6.179 -1.600 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.022 -8.005 0.407 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.063 -5.762 -0.877 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.622 -5.038 0.618 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.379 -5.590 1.037 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.302 -6.838 1.851 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.490 -6.839 0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.365 -8.273 -0.126 1.00 0.00 H new ATOM 442 N ALA A 27 -7.214 -5.680 1.266 1.00 0.00 N ATOM 443 CA ALA A 27 -8.204 -5.356 2.273 1.00 0.00 C ATOM 444 C ALA A 27 -9.093 -6.584 2.502 1.00 0.00 C ATOM 445 O ALA A 27 -9.155 -7.116 3.605 1.00 0.00 O ATOM 446 CB ALA A 27 -9.027 -4.150 1.815 1.00 0.00 C ATOM 0 H ALA A 27 -7.224 -5.060 0.456 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.720 -5.093 3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.771 -3.908 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.368 -3.295 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.529 -4.387 0.877 1.00 0.00 H new ATOM 452 N LEU A 28 -9.745 -7.088 1.450 1.00 0.00 N ATOM 453 CA LEU A 28 -10.630 -8.256 1.465 1.00 0.00 C ATOM 454 C LEU A 28 -9.873 -9.583 1.671 1.00 0.00 C ATOM 455 O LEU A 28 -10.488 -10.652 1.627 1.00 0.00 O ATOM 456 CB LEU A 28 -11.468 -8.241 0.167 1.00 0.00 C ATOM 457 CG LEU A 28 -12.655 -9.221 0.061 1.00 0.00 C ATOM 458 CD1 LEU A 28 -13.600 -9.162 1.264 1.00 0.00 C ATOM 459 CD2 LEU A 28 -13.455 -8.912 -1.211 1.00 0.00 C ATOM 0 H LEU A 28 -9.666 -6.673 0.522 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.294 -8.191 2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.855 -7.231 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.795 -8.440 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.231 -10.225 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.412 -9.876 1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.050 -9.411 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.012 -8.157 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.295 -9.603 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.829 -7.889 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.810 -9.024 -2.083 1.00 0.00 H new ATOM 471 N ARG A 29 -8.560 -9.558 1.911 1.00 0.00 N ATOM 472 CA ARG A 29 -7.819 -10.653 2.507 1.00 0.00 C ATOM 473 C ARG A 29 -7.876 -10.417 4.016 1.00 0.00 C ATOM 474 O ARG A 29 -8.702 -11.013 4.700 1.00 0.00 O ATOM 475 CB ARG A 29 -6.396 -10.696 1.899 1.00 0.00 C ATOM 476 CG ARG A 29 -5.458 -11.733 2.525 1.00 0.00 C ATOM 477 CD ARG A 29 -5.989 -13.165 2.509 1.00 0.00 C ATOM 478 NE ARG A 29 -5.024 -14.080 3.139 1.00 0.00 N ATOM 479 CZ ARG A 29 -5.287 -15.072 3.997 1.00 0.00 C ATOM 480 NH1 ARG A 29 -6.537 -15.360 4.346 1.00 0.00 N ATOM 481 NH2 ARG A 29 -4.292 -15.783 4.502 1.00 0.00 N ATOM 0 H ARG A 29 -7.976 -8.752 1.688 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.234 -11.640 2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.479 -10.900 0.831 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.943 -9.710 2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.505 -11.707 1.996 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.258 -11.446 3.557 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.941 -13.212 3.037 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.178 -13.477 1.482 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.044 -13.942 2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.312 -14.822 3.958 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.721 -16.119 5.001 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.330 -15.574 4.237 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.487 -16.540 5.157 1.00 0.00 H new ATOM 495 N TYR A 30 -7.035 -9.524 4.529 1.00 0.00 N ATOM 496 CA TYR A 30 -6.671 -9.404 5.935 1.00 0.00 C ATOM 497 C TYR A 30 -7.666 -8.577 6.773 1.00 0.00 C ATOM 498 O TYR A 30 -7.358 -8.265 7.926 1.00 0.00 O ATOM 499 CB TYR A 30 -5.259 -8.794 6.006 1.00 0.00 C ATOM 500 CG TYR A 30 -4.189 -9.502 5.184 1.00 0.00 C ATOM 501 CD1 TYR A 30 -3.491 -10.616 5.690 1.00 0.00 C ATOM 502 CD2 TYR A 30 -3.855 -9.010 3.910 1.00 0.00 C ATOM 503 CE1 TYR A 30 -2.457 -11.214 4.940 1.00 0.00 C ATOM 504 CE2 TYR A 30 -2.798 -9.570 3.178 1.00 0.00 C ATOM 505 CZ TYR A 30 -2.081 -10.664 3.693 1.00 0.00 C ATOM 506 OH TYR A 30 -0.980 -11.094 3.021 1.00 0.00 O ATOM 0 H TYR A 30 -6.566 -8.831 3.946 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.697 -10.401 6.375 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.315 -7.756 5.678 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.941 -8.782 7.048 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.750 -11.015 6.660 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.419 -8.191 3.490 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.953 -12.091 5.318 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.534 -9.159 2.215 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.892 -10.593 2.183 1.00 0.00 H new ATOM 516 N HIS A 31 -8.830 -8.196 6.227 1.00 0.00 N ATOM 517 CA HIS A 31 -9.780 -7.253 6.815 1.00 0.00 C ATOM 518 C HIS A 31 -10.089 -7.625 8.273 1.00 0.00 C ATOM 519 O HIS A 31 -10.404 -8.794 8.535 1.00 0.00 O ATOM 520 CB HIS A 31 -11.092 -7.252 5.997 1.00 0.00 C ATOM 521 CG HIS A 31 -11.676 -5.898 5.656 1.00 0.00 C ATOM 522 ND1 HIS A 31 -12.151 -4.928 6.522 1.00 0.00 N ATOM 523 CD2 HIS A 31 -11.921 -5.456 4.383 1.00 0.00 C ATOM 524 CE1 HIS A 31 -12.662 -3.929 5.780 1.00 0.00 C ATOM 525 NE2 HIS A 31 -12.531 -4.202 4.470 1.00 0.00 N ATOM 0 H HIS A 31 -9.144 -8.554 5.325 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.332 -6.260 6.795 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.914 -7.791 5.066 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.841 -7.816 6.553 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.684 -5.984 3.471 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.114 -3.034 6.180 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -12.820 -3.609 3.692 1.00 0.00 H new ATOM 533 N PRO A 32 -10.136 -6.659 9.206 1.00 0.00 N ATOM 534 CA PRO A 32 -10.563 -6.910 10.575 1.00 0.00 C ATOM 535 C PRO A 32 -12.043 -7.287 10.660 1.00 0.00 C ATOM 536 O PRO A 32 -12.469 -7.812 11.684 1.00 0.00 O ATOM 537 CB PRO A 32 -10.260 -5.624 11.349 1.00 0.00 C ATOM 538 CG PRO A 32 -10.331 -4.544 10.279 1.00 0.00 C ATOM 539 CD PRO A 32 -9.756 -5.265 9.068 1.00 0.00 C ATOM 0 HA PRO A 32 -10.032 -7.763 10.998 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -10.987 -5.452 12.143 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.277 -5.660 11.819 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -11.353 -4.206 10.106 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.746 -3.664 10.547 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -10.149 -4.845 8.142 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.672 -5.159 9.031 1.00 0.00 H new ATOM 547 N ASP A 33 -12.803 -7.106 9.582 1.00 0.00 N ATOM 548 CA ASP A 33 -14.204 -7.489 9.502 1.00 0.00 C ATOM 549 C ASP A 33 -14.257 -8.972 9.154 1.00 0.00 C ATOM 550 O ASP A 33 -14.865 -9.769 9.863 1.00 0.00 O ATOM 551 CB ASP A 33 -14.883 -6.677 8.391 1.00 0.00 C ATOM 552 CG ASP A 33 -16.305 -7.169 8.112 1.00 0.00 C ATOM 553 OD1 ASP A 33 -16.476 -8.285 7.581 1.00 0.00 O ATOM 554 OD2 ASP A 33 -17.268 -6.418 8.372 1.00 0.00 O ATOM 0 H ASP A 33 -12.452 -6.680 8.724 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.715 -7.299 10.446 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.912 -5.625 8.676 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.290 -6.744 7.479 1.00 0.00 H new ATOM 559 N LYS A 34 -13.570 -9.349 8.072 1.00 0.00 N ATOM 560 CA LYS A 34 -13.695 -10.654 7.448 1.00 0.00 C ATOM 561 C LYS A 34 -12.806 -11.638 8.185 1.00 0.00 C ATOM 562 O LYS A 34 -13.297 -12.648 8.691 1.00 0.00 O ATOM 563 CB LYS A 34 -13.292 -10.550 5.965 1.00 0.00 C ATOM 564 CG LYS A 34 -13.068 -11.926 5.319 1.00 0.00 C ATOM 565 CD LYS A 34 -12.705 -11.781 3.845 1.00 0.00 C ATOM 566 CE LYS A 34 -11.988 -13.054 3.396 1.00 0.00 C ATOM 567 NZ LYS A 34 -11.854 -13.109 1.933 1.00 0.00 N ATOM 0 H LYS A 34 -12.901 -8.739 7.602 1.00 0.00 H new ATOM 0 HA LYS A 34 -14.726 -11.005 7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.069 -10.017 5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.380 -9.959 5.880 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.272 -12.454 5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.970 -12.530 5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.603 -11.621 3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.064 -10.912 3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.000 -13.098 3.855 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.540 -13.926 3.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.304 -13.951 1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.798 -13.160 1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.365 -12.255 1.597 1.00 0.00 H new ATOM 581 N ASN A 35 -11.497 -11.389 8.179 1.00 0.00 N ATOM 582 CA ASN A 35 -10.509 -12.399 8.520 1.00 0.00 C ATOM 583 C ASN A 35 -10.407 -12.458 10.031 1.00 0.00 C ATOM 584 O ASN A 35 -10.268 -13.543 10.585 1.00 0.00 O ATOM 585 CB ASN A 35 -9.140 -12.098 7.859 1.00 0.00 C ATOM 586 CG ASN A 35 -8.724 -13.156 6.834 1.00 0.00 C ATOM 587 OD1 ASN A 35 -9.545 -13.890 6.284 1.00 0.00 O ATOM 588 ND2 ASN A 35 -7.445 -13.296 6.542 1.00 0.00 N ATOM 0 H ASN A 35 -11.097 -10.482 7.938 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.819 -13.371 8.136 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.185 -11.125 7.370 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.376 -12.031 8.634 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.150 -14.004 5.870 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.751 -12.696 6.988 1.00 0.00 H new ATOM 595 N LYS A 36 -10.496 -11.296 10.696 1.00 0.00 N ATOM 596 CA LYS A 36 -10.412 -11.131 12.146 1.00 0.00 C ATOM 597 C LYS A 36 -9.138 -11.762 12.729 1.00 0.00 C ATOM 598 O LYS A 36 -9.103 -12.136 13.903 1.00 0.00 O ATOM 599 CB LYS A 36 -11.689 -11.653 12.813 1.00 0.00 C ATOM 600 CG LYS A 36 -12.921 -10.781 12.571 1.00 0.00 C ATOM 601 CD LYS A 36 -14.178 -11.427 13.170 1.00 0.00 C ATOM 602 CE LYS A 36 -15.440 -10.586 12.940 1.00 0.00 C ATOM 603 NZ LYS A 36 -15.326 -9.214 13.476 1.00 0.00 N ATOM 0 H LYS A 36 -10.635 -10.409 10.211 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.336 -10.066 12.364 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.892 -12.659 12.447 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.519 -11.733 13.887 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.767 -9.797 13.014 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -13.060 -10.631 11.500 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -14.319 -12.415 12.731 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.033 -11.572 14.240 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -15.647 -10.536 11.871 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -16.291 -11.083 13.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.249 -8.739 13.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.024 -9.254 14.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.625 -8.682 12.922 1.00 0.00 H new ATOM 617 N GLU A 37 -8.137 -12.005 11.893 1.00 0.00 N ATOM 618 CA GLU A 37 -7.051 -12.911 12.185 1.00 0.00 C ATOM 619 C GLU A 37 -6.082 -12.181 13.120 1.00 0.00 C ATOM 620 O GLU A 37 -5.654 -11.081 12.776 1.00 0.00 O ATOM 621 CB GLU A 37 -6.482 -13.335 10.831 1.00 0.00 C ATOM 622 CG GLU A 37 -5.532 -14.524 10.923 1.00 0.00 C ATOM 623 CD GLU A 37 -4.075 -14.085 10.930 1.00 0.00 C ATOM 624 OE1 GLU A 37 -3.537 -13.836 9.827 1.00 0.00 O ATOM 625 OE2 GLU A 37 -3.447 -14.052 12.009 1.00 0.00 O ATOM 0 H GLU A 37 -8.062 -11.565 10.976 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.330 -13.823 12.712 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.305 -13.587 10.162 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.955 -12.491 10.385 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.745 -15.090 11.830 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.706 -15.194 10.081 1.00 0.00 H new ATOM 632 N PRO A 38 -5.765 -12.706 14.317 1.00 0.00 N ATOM 633 CA PRO A 38 -5.157 -11.905 15.385 1.00 0.00 C ATOM 634 C PRO A 38 -3.677 -11.595 15.233 1.00 0.00 C ATOM 635 O PRO A 38 -3.076 -10.852 16.004 1.00 0.00 O ATOM 636 CB PRO A 38 -5.432 -12.698 16.651 1.00 0.00 C ATOM 637 CG PRO A 38 -5.432 -14.149 16.182 1.00 0.00 C ATOM 638 CD PRO A 38 -6.092 -14.038 14.806 1.00 0.00 C ATOM 0 HA PRO A 38 -5.594 -10.907 15.379 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.666 -12.522 17.407 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.388 -12.422 17.096 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.423 -14.558 16.119 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.996 -14.795 16.854 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.718 -14.806 14.129 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.171 -14.175 14.877 1.00 0.00 H new ATOM 646 N GLY A 39 -3.125 -12.192 14.206 1.00 0.00 N ATOM 647 CA GLY A 39 -1.798 -11.987 13.645 1.00 0.00 C ATOM 648 C GLY A 39 -1.816 -11.111 12.392 1.00 0.00 C ATOM 649 O GLY A 39 -0.760 -10.828 11.823 1.00 0.00 O ATOM 0 H GLY A 39 -3.638 -12.904 13.686 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.158 -11.526 14.397 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.358 -12.954 13.401 1.00 0.00 H new ATOM 653 N ALA A 40 -2.996 -10.682 11.942 1.00 0.00 N ATOM 654 CA ALA A 40 -3.203 -9.747 10.853 1.00 0.00 C ATOM 655 C ALA A 40 -3.701 -8.400 11.374 1.00 0.00 C ATOM 656 O ALA A 40 -4.074 -7.552 10.562 1.00 0.00 O ATOM 657 CB ALA A 40 -4.195 -10.325 9.840 1.00 0.00 C ATOM 0 H ALA A 40 -3.874 -10.998 12.354 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.246 -9.585 10.357 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.342 -9.613 9.028 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.802 -11.259 9.438 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.149 -10.515 10.332 1.00 0.00 H new ATOM 663 N GLU A 41 -3.741 -8.184 12.690 1.00 0.00 N ATOM 664 CA GLU A 41 -4.056 -6.879 13.255 1.00 0.00 C ATOM 665 C GLU A 41 -2.978 -5.893 12.802 1.00 0.00 C ATOM 666 O GLU A 41 -3.296 -4.833 12.254 1.00 0.00 O ATOM 667 CB GLU A 41 -4.185 -7.008 14.784 1.00 0.00 C ATOM 668 CG GLU A 41 -4.432 -5.673 15.507 1.00 0.00 C ATOM 669 CD GLU A 41 -3.182 -5.009 16.104 1.00 0.00 C ATOM 670 OE1 GLU A 41 -2.035 -5.263 15.680 1.00 0.00 O ATOM 671 OE2 GLU A 41 -3.351 -4.194 17.038 1.00 0.00 O ATOM 0 H GLU A 41 -3.557 -8.906 13.387 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.013 -6.496 12.902 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.004 -7.690 15.013 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.275 -7.460 15.178 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.892 -4.978 14.805 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.152 -5.840 16.308 1.00 0.00 H new ATOM 678 N GLU A 42 -1.718 -6.314 12.916 1.00 0.00 N ATOM 679 CA GLU A 42 -0.556 -5.537 12.533 1.00 0.00 C ATOM 680 C GLU A 42 -0.462 -5.472 11.020 1.00 0.00 C ATOM 681 O GLU A 42 -0.243 -4.406 10.457 1.00 0.00 O ATOM 682 CB GLU A 42 0.710 -6.141 13.148 1.00 0.00 C ATOM 683 CG GLU A 42 1.989 -5.396 12.745 1.00 0.00 C ATOM 684 CD GLU A 42 2.131 -3.975 13.301 1.00 0.00 C ATOM 685 OE1 GLU A 42 1.132 -3.262 13.538 1.00 0.00 O ATOM 686 OE2 GLU A 42 3.282 -3.532 13.510 1.00 0.00 O ATOM 0 H GLU A 42 -1.479 -7.233 13.289 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.655 -4.520 12.913 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.619 -6.133 14.234 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.793 -7.184 12.843 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.848 -5.982 13.072 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.032 -5.347 11.657 1.00 0.00 H new ATOM 693 N LYS A 43 -0.640 -6.606 10.336 1.00 0.00 N ATOM 694 CA LYS A 43 -0.545 -6.644 8.884 1.00 0.00 C ATOM 695 C LYS A 43 -1.518 -5.666 8.259 1.00 0.00 C ATOM 696 O LYS A 43 -1.155 -4.945 7.340 1.00 0.00 O ATOM 697 CB LYS A 43 -0.776 -8.049 8.325 1.00 0.00 C ATOM 698 CG LYS A 43 0.264 -8.318 7.232 1.00 0.00 C ATOM 699 CD LYS A 43 -0.063 -9.588 6.451 1.00 0.00 C ATOM 700 CE LYS A 43 1.157 -10.175 5.737 1.00 0.00 C ATOM 701 NZ LYS A 43 1.757 -9.242 4.766 1.00 0.00 N ATOM 0 H LYS A 43 -0.850 -7.505 10.769 1.00 0.00 H new ATOM 0 HA LYS A 43 0.472 -6.352 8.624 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.691 -8.791 9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.783 -8.133 7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.304 -7.469 6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.252 -8.411 7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.473 -10.333 7.133 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.838 -9.368 5.716 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.907 -10.452 6.478 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.865 -11.090 5.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.547 -9.710 4.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.039 -8.956 4.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.109 -8.400 5.265 1.00 0.00 H new ATOM 715 N PHE A 44 -2.743 -5.631 8.769 1.00 0.00 N ATOM 716 CA PHE A 44 -3.743 -4.679 8.318 1.00 0.00 C ATOM 717 C PHE A 44 -3.274 -3.241 8.558 1.00 0.00 C ATOM 718 O PHE A 44 -3.414 -2.401 7.676 1.00 0.00 O ATOM 719 CB PHE A 44 -5.064 -4.965 9.020 1.00 0.00 C ATOM 720 CG PHE A 44 -6.204 -4.122 8.503 1.00 0.00 C ATOM 721 CD1 PHE A 44 -6.894 -4.544 7.350 1.00 0.00 C ATOM 722 CD2 PHE A 44 -6.573 -2.928 9.149 1.00 0.00 C ATOM 723 CE1 PHE A 44 -7.976 -3.791 6.869 1.00 0.00 C ATOM 724 CE2 PHE A 44 -7.650 -2.174 8.657 1.00 0.00 C ATOM 725 CZ PHE A 44 -8.359 -2.608 7.524 1.00 0.00 C ATOM 0 H PHE A 44 -3.067 -6.260 9.504 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.890 -4.790 7.244 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.314 -6.019 8.896 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.946 -4.789 10.089 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.591 -5.445 6.837 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.030 -2.593 10.020 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.516 -4.121 5.994 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.935 -1.257 9.151 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.197 -2.033 7.157 1.00 0.00 H new ATOM 735 N LYS A 45 -2.709 -2.949 9.733 1.00 0.00 N ATOM 736 CA LYS A 45 -2.156 -1.631 10.052 1.00 0.00 C ATOM 737 C LYS A 45 -0.958 -1.270 9.152 1.00 0.00 C ATOM 738 O LYS A 45 -0.726 -0.086 8.891 1.00 0.00 O ATOM 739 CB LYS A 45 -1.816 -1.602 11.553 1.00 0.00 C ATOM 740 CG LYS A 45 -1.648 -0.183 12.112 1.00 0.00 C ATOM 741 CD LYS A 45 -1.634 -0.221 13.649 1.00 0.00 C ATOM 742 CE LYS A 45 -1.292 1.143 14.260 1.00 0.00 C ATOM 743 NZ LYS A 45 -2.413 2.106 14.222 1.00 0.00 N ATOM 0 H LYS A 45 -2.622 -3.624 10.493 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.897 -0.859 9.845 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.605 -2.112 12.107 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.896 -2.162 11.721 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.721 0.255 11.742 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.462 0.453 11.763 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.610 -0.545 14.011 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.907 -0.960 13.986 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.981 1.001 15.295 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.441 1.567 13.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.113 3.005 14.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.696 2.270 13.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.219 1.721 14.754 1.00 0.00 H new ATOM 757 N GLU A 46 -0.239 -2.264 8.625 1.00 0.00 N ATOM 758 CA GLU A 46 0.836 -2.133 7.643 1.00 0.00 C ATOM 759 C GLU A 46 0.210 -1.813 6.279 1.00 0.00 C ATOM 760 O GLU A 46 0.605 -0.836 5.640 1.00 0.00 O ATOM 761 CB GLU A 46 1.680 -3.432 7.631 1.00 0.00 C ATOM 762 CG GLU A 46 3.201 -3.251 7.806 1.00 0.00 C ATOM 763 CD GLU A 46 4.038 -3.362 6.520 1.00 0.00 C ATOM 764 OE1 GLU A 46 4.104 -4.471 5.932 1.00 0.00 O ATOM 765 OE2 GLU A 46 4.685 -2.365 6.118 1.00 0.00 O ATOM 0 H GLU A 46 -0.402 -3.236 8.888 1.00 0.00 H new ATOM 0 HA GLU A 46 1.514 -1.318 7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.318 -4.084 8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.502 -3.949 6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.383 -2.274 8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.558 -3.997 8.516 1.00 0.00 H new ATOM 772 N ILE A 47 -0.807 -2.577 5.852 1.00 0.00 N ATOM 773 CA ILE A 47 -1.557 -2.345 4.616 1.00 0.00 C ATOM 774 C ILE A 47 -2.084 -0.923 4.633 1.00 0.00 C ATOM 775 O ILE A 47 -1.887 -0.229 3.648 1.00 0.00 O ATOM 776 CB ILE A 47 -2.678 -3.381 4.376 1.00 0.00 C ATOM 777 CG1 ILE A 47 -2.055 -4.770 4.178 1.00 0.00 C ATOM 778 CG2 ILE A 47 -3.514 -3.071 3.112 1.00 0.00 C ATOM 779 CD1 ILE A 47 -3.089 -5.855 4.426 1.00 0.00 C ATOM 0 H ILE A 47 -1.135 -3.391 6.371 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.880 -2.476 3.771 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.330 -3.344 5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.662 -4.858 3.165 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.213 -4.898 4.859 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.287 -3.830 2.992 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.981 -2.091 3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.864 -3.073 2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.631 -6.834 4.282 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.462 -5.776 5.447 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.917 -5.735 3.727 1.00 0.00 H new ATOM 791 N ALA A 48 -2.696 -0.478 5.734 1.00 0.00 N ATOM 792 CA ALA A 48 -3.334 0.820 5.884 1.00 0.00 C ATOM 793 C ALA A 48 -2.349 1.966 5.624 1.00 0.00 C ATOM 794 O ALA A 48 -2.752 3.011 5.110 1.00 0.00 O ATOM 795 CB ALA A 48 -3.906 0.921 7.303 1.00 0.00 C ATOM 0 H ALA A 48 -2.760 -1.044 6.580 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.133 0.910 5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.389 1.890 7.433 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.637 0.128 7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.099 0.818 8.029 1.00 0.00 H new ATOM 801 N GLU A 49 -1.069 1.768 5.954 1.00 0.00 N ATOM 802 CA GLU A 49 -0.013 2.751 5.706 1.00 0.00 C ATOM 803 C GLU A 49 0.246 2.872 4.209 1.00 0.00 C ATOM 804 O GLU A 49 0.333 3.967 3.653 1.00 0.00 O ATOM 805 CB GLU A 49 1.292 2.314 6.400 1.00 0.00 C ATOM 806 CG GLU A 49 1.986 3.494 7.082 1.00 0.00 C ATOM 807 CD GLU A 49 1.398 3.689 8.474 1.00 0.00 C ATOM 808 OE1 GLU A 49 0.214 4.062 8.595 1.00 0.00 O ATOM 809 OE2 GLU A 49 2.070 3.339 9.471 1.00 0.00 O ATOM 0 H GLU A 49 -0.736 0.915 6.404 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.337 3.713 6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.072 1.543 7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.964 1.870 5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.058 3.310 7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.855 4.399 6.489 1.00 0.00 H new ATOM 816 N ALA A 50 0.328 1.721 3.540 1.00 0.00 N ATOM 817 CA ALA A 50 0.561 1.682 2.112 1.00 0.00 C ATOM 818 C ALA A 50 -0.704 2.108 1.378 1.00 0.00 C ATOM 819 O ALA A 50 -0.607 2.628 0.277 1.00 0.00 O ATOM 820 CB ALA A 50 0.921 0.255 1.700 1.00 0.00 C ATOM 0 H ALA A 50 0.235 0.803 3.975 1.00 0.00 H new ATOM 0 HA ALA A 50 1.377 2.359 1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.097 0.220 0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.822 -0.059 2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.100 -0.415 1.955 1.00 0.00 H new ATOM 826 N TYR A 51 -1.873 1.920 1.979 1.00 0.00 N ATOM 827 CA TYR A 51 -3.174 2.197 1.415 1.00 0.00 C ATOM 828 C TYR A 51 -3.220 3.709 1.199 1.00 0.00 C ATOM 829 O TYR A 51 -3.515 4.175 0.099 1.00 0.00 O ATOM 830 CB TYR A 51 -4.228 1.728 2.431 1.00 0.00 C ATOM 831 CG TYR A 51 -5.478 1.110 1.869 1.00 0.00 C ATOM 832 CD1 TYR A 51 -5.404 -0.242 1.486 1.00 0.00 C ATOM 833 CD2 TYR A 51 -6.709 1.781 1.867 1.00 0.00 C ATOM 834 CE1 TYR A 51 -6.551 -0.942 1.095 1.00 0.00 C ATOM 835 CE2 TYR A 51 -7.868 1.084 1.486 1.00 0.00 C ATOM 836 CZ TYR A 51 -7.794 -0.281 1.109 1.00 0.00 C ATOM 837 OH TYR A 51 -8.916 -0.956 0.745 1.00 0.00 O ATOM 0 H TYR A 51 -1.934 1.549 2.927 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.366 1.686 0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.760 1.003 3.097 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.516 2.583 3.042 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.449 -0.746 1.494 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.766 2.820 2.155 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.484 -1.975 0.787 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.821 1.591 1.480 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.691 -0.360 0.809 1.00 0.00 H new ATOM 847 N ASP A 52 -2.858 4.471 2.238 1.00 0.00 N ATOM 848 CA ASP A 52 -2.805 5.923 2.181 1.00 0.00 C ATOM 849 C ASP A 52 -1.819 6.393 1.113 1.00 0.00 C ATOM 850 O ASP A 52 -2.210 7.104 0.182 1.00 0.00 O ATOM 851 CB ASP A 52 -2.451 6.513 3.547 1.00 0.00 C ATOM 852 CG ASP A 52 -2.594 8.031 3.486 1.00 0.00 C ATOM 853 OD1 ASP A 52 -3.693 8.515 3.132 1.00 0.00 O ATOM 854 OD2 ASP A 52 -1.614 8.744 3.794 1.00 0.00 O ATOM 0 H ASP A 52 -2.593 4.087 3.145 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.796 6.283 1.906 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.107 6.104 4.315 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.432 6.242 3.821 1.00 0.00 H new ATOM 859 N VAL A 53 -0.580 5.891 1.161 1.00 0.00 N ATOM 860 CA VAL A 53 0.511 6.341 0.295 1.00 0.00 C ATOM 861 C VAL A 53 0.178 6.038 -1.150 1.00 0.00 C ATOM 862 O VAL A 53 0.401 6.869 -2.027 1.00 0.00 O ATOM 863 CB VAL A 53 1.801 5.574 0.659 1.00 0.00 C ATOM 864 CG1 VAL A 53 2.888 5.595 -0.431 1.00 0.00 C ATOM 865 CG2 VAL A 53 2.408 6.165 1.917 1.00 0.00 C ATOM 0 H VAL A 53 -0.306 5.153 1.810 1.00 0.00 H new ATOM 0 HA VAL A 53 0.650 7.414 0.431 1.00 0.00 H new ATOM 0 HB VAL A 53 1.489 4.538 0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.757 5.032 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.498 5.142 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.180 6.625 -0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.318 5.622 2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.647 7.215 1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.695 6.084 2.738 1.00 0.00 H new ATOM 875 N LEU A 54 -0.327 4.836 -1.419 1.00 0.00 N ATOM 876 CA LEU A 54 -0.603 4.417 -2.768 1.00 0.00 C ATOM 877 C LEU A 54 -1.806 5.165 -3.348 1.00 0.00 C ATOM 878 O LEU A 54 -2.159 4.943 -4.507 1.00 0.00 O ATOM 879 CB LEU A 54 -0.684 2.891 -2.865 1.00 0.00 C ATOM 880 CG LEU A 54 0.648 2.159 -3.139 1.00 0.00 C ATOM 881 CD1 LEU A 54 1.802 2.484 -2.188 1.00 0.00 C ATOM 882 CD2 LEU A 54 0.434 0.648 -3.122 1.00 0.00 C ATOM 0 H LEU A 54 -0.550 4.140 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 54 0.234 4.697 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.101 2.509 -1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.387 2.634 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 54 0.949 2.527 -4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.684 1.912 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.027 3.549 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.518 2.222 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.381 0.144 -3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.056 0.345 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.288 0.374 -3.892 1.00 0.00 H new ATOM 894 N SER A 55 -2.429 6.084 -2.611 1.00 0.00 N ATOM 895 CA SER A 55 -3.538 6.876 -3.104 1.00 0.00 C ATOM 896 C SER A 55 -3.183 8.359 -3.223 1.00 0.00 C ATOM 897 O SER A 55 -3.511 8.940 -4.256 1.00 0.00 O ATOM 898 CB SER A 55 -4.775 6.532 -2.292 1.00 0.00 C ATOM 899 OG SER A 55 -4.721 7.017 -0.958 1.00 0.00 O ATOM 0 H SER A 55 -2.170 6.296 -1.647 1.00 0.00 H new ATOM 0 HA SER A 55 -3.775 6.621 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.653 6.946 -2.787 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.900 5.449 -2.273 1.00 0.00 H new ATOM 0 HG SER A 55 -3.800 6.963 -0.627 1.00 0.00 H new ATOM 905 N ASP A 56 -2.406 8.947 -2.305 1.00 0.00 N ATOM 906 CA ASP A 56 -2.178 10.394 -2.355 1.00 0.00 C ATOM 907 C ASP A 56 -1.039 10.683 -3.350 1.00 0.00 C ATOM 908 O ASP A 56 0.071 10.167 -3.184 1.00 0.00 O ATOM 909 CB ASP A 56 -1.814 10.968 -0.979 1.00 0.00 C ATOM 910 CG ASP A 56 -1.495 12.461 -1.114 1.00 0.00 C ATOM 911 OD1 ASP A 56 -0.406 12.816 -1.599 1.00 0.00 O ATOM 912 OD2 ASP A 56 -2.392 13.287 -0.824 1.00 0.00 O ATOM 0 H ASP A 56 -1.938 8.460 -1.541 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.103 10.873 -2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.640 10.824 -0.283 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.955 10.438 -0.568 1.00 0.00 H new ATOM 917 N PRO A 57 -1.284 11.481 -4.406 1.00 0.00 N ATOM 918 CA PRO A 57 -0.333 11.650 -5.494 1.00 0.00 C ATOM 919 C PRO A 57 0.885 12.501 -5.121 1.00 0.00 C ATOM 920 O PRO A 57 1.885 12.413 -5.836 1.00 0.00 O ATOM 921 CB PRO A 57 -1.133 12.295 -6.631 1.00 0.00 C ATOM 922 CG PRO A 57 -2.199 13.100 -5.894 1.00 0.00 C ATOM 923 CD PRO A 57 -2.510 12.207 -4.696 1.00 0.00 C ATOM 0 HA PRO A 57 0.093 10.687 -5.773 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.505 12.933 -7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.576 11.546 -7.287 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.830 14.079 -5.587 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.080 13.271 -6.513 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.823 12.801 -3.838 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.325 11.520 -4.923 1.00 0.00 H new ATOM 931 N ARG A 58 0.850 13.315 -4.056 1.00 0.00 N ATOM 932 CA ARG A 58 2.043 14.030 -3.595 1.00 0.00 C ATOM 933 C ARG A 58 2.897 13.078 -2.775 1.00 0.00 C ATOM 934 O ARG A 58 4.108 13.050 -2.935 1.00 0.00 O ATOM 935 CB ARG A 58 1.738 15.252 -2.710 1.00 0.00 C ATOM 936 CG ARG A 58 0.564 16.164 -3.096 1.00 0.00 C ATOM 937 CD ARG A 58 -0.727 15.760 -2.371 1.00 0.00 C ATOM 938 NE ARG A 58 -1.683 16.873 -2.305 1.00 0.00 N ATOM 939 CZ ARG A 58 -2.693 16.997 -1.437 1.00 0.00 C ATOM 940 NH1 ARG A 58 -2.959 16.053 -0.548 1.00 0.00 N ATOM 941 NH2 ARG A 58 -3.459 18.079 -1.474 1.00 0.00 N ATOM 0 H ARG A 58 0.012 13.492 -3.502 1.00 0.00 H new ATOM 0 HA ARG A 58 2.548 14.390 -4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.558 14.891 -1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.637 15.867 -2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.810 17.198 -2.853 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.406 16.119 -4.174 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.186 14.916 -2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.488 15.425 -1.362 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.565 17.623 -2.986 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.388 15.208 -0.515 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.735 16.170 0.104 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.276 18.810 -2.161 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.231 18.180 -0.815 1.00 0.00 H new ATOM 955 N LYS A 59 2.291 12.229 -1.947 1.00 0.00 N ATOM 956 CA LYS A 59 3.035 11.385 -1.031 1.00 0.00 C ATOM 957 C LYS A 59 3.702 10.292 -1.855 1.00 0.00 C ATOM 958 O LYS A 59 4.875 9.982 -1.653 1.00 0.00 O ATOM 959 CB LYS A 59 2.040 10.798 -0.013 1.00 0.00 C ATOM 960 CG LYS A 59 2.743 10.093 1.147 1.00 0.00 C ATOM 961 CD LYS A 59 3.319 11.090 2.161 1.00 0.00 C ATOM 962 CE LYS A 59 4.619 10.535 2.732 1.00 0.00 C ATOM 963 NZ LYS A 59 5.082 11.297 3.913 1.00 0.00 N ATOM 0 H LYS A 59 1.279 12.112 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 59 3.802 11.936 -0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.411 11.597 0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.381 10.092 -0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.038 9.431 1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.546 9.467 0.758 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.501 12.051 1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.602 11.266 2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.475 9.491 3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.390 10.557 1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.968 10.884 4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.245 12.288 3.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.358 11.255 4.659 1.00 0.00 H new ATOM 977 N ARG A 60 2.993 9.750 -2.845 1.00 0.00 N ATOM 978 CA ARG A 60 3.581 8.828 -3.802 1.00 0.00 C ATOM 979 C ARG A 60 4.541 9.469 -4.793 1.00 0.00 C ATOM 980 O ARG A 60 5.321 8.718 -5.370 1.00 0.00 O ATOM 981 CB ARG A 60 2.494 8.034 -4.536 1.00 0.00 C ATOM 982 CG ARG A 60 2.860 6.558 -4.400 1.00 0.00 C ATOM 983 CD ARG A 60 1.795 5.647 -4.984 1.00 0.00 C ATOM 984 NE ARG A 60 2.030 5.338 -6.402 1.00 0.00 N ATOM 985 CZ ARG A 60 1.353 5.662 -7.510 1.00 0.00 C ATOM 986 NH1 ARG A 60 0.268 6.427 -7.485 1.00 0.00 N ATOM 987 NH2 ARG A 60 1.788 5.198 -8.676 1.00 0.00 N ATOM 0 H ARG A 60 2.003 9.939 -3.001 1.00 0.00 H new ATOM 0 HA ARG A 60 4.191 8.148 -3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.513 8.231 -4.104 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.444 8.325 -5.585 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.809 6.373 -4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.004 6.317 -3.347 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.764 4.718 -4.414 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.819 6.120 -4.876 1.00 0.00 H new ATOM 0 HE ARG A 60 2.862 4.773 -6.573 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.079 6.791 -6.598 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.219 6.650 -8.353 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.620 4.609 -8.712 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.290 5.430 -9.535 1.00 0.00 H new ATOM 1001 N GLU A 61 4.561 10.792 -4.981 1.00 0.00 N ATOM 1002 CA GLU A 61 5.622 11.436 -5.764 1.00 0.00 C ATOM 1003 C GLU A 61 6.978 11.104 -5.138 1.00 0.00 C ATOM 1004 O GLU A 61 7.938 10.789 -5.842 1.00 0.00 O ATOM 1005 CB GLU A 61 5.382 12.953 -5.835 1.00 0.00 C ATOM 1006 CG GLU A 61 6.288 13.682 -6.831 1.00 0.00 C ATOM 1007 CD GLU A 61 7.735 13.876 -6.362 1.00 0.00 C ATOM 1008 OE1 GLU A 61 7.976 14.050 -5.150 1.00 0.00 O ATOM 1009 OE2 GLU A 61 8.630 14.032 -7.226 1.00 0.00 O ATOM 0 H GLU A 61 3.862 11.433 -4.606 1.00 0.00 H new ATOM 0 HA GLU A 61 5.614 11.059 -6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.342 13.133 -6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.531 13.381 -4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.296 13.125 -7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.856 14.660 -7.045 1.00 0.00 H new ATOM 1016 N ILE A 62 7.013 11.022 -3.807 1.00 0.00 N ATOM 1017 CA ILE A 62 8.236 10.796 -3.061 1.00 0.00 C ATOM 1018 C ILE A 62 8.630 9.322 -3.255 1.00 0.00 C ATOM 1019 O ILE A 62 9.820 9.006 -3.343 1.00 0.00 O ATOM 1020 CB ILE A 62 8.024 11.138 -1.564 1.00 0.00 C ATOM 1021 CG1 ILE A 62 7.215 12.441 -1.358 1.00 0.00 C ATOM 1022 CG2 ILE A 62 9.392 11.263 -0.880 1.00 0.00 C ATOM 1023 CD1 ILE A 62 6.975 12.817 0.108 1.00 0.00 C ATOM 0 H ILE A 62 6.184 11.112 -3.219 1.00 0.00 H new ATOM 0 HA ILE A 62 9.038 11.441 -3.421 1.00 0.00 H new ATOM 0 HB ILE A 62 7.443 10.330 -1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.740 13.261 -1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.251 12.337 -1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 62 9.251 11.504 0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.930 10.319 -0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 62 9.967 12.055 -1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.401 13.742 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.420 12.019 0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.933 12.957 0.609 1.00 0.00 H new ATOM 1035 N PHE A 63 7.664 8.407 -3.386 1.00 0.00 N ATOM 1036 CA PHE A 63 7.967 7.028 -3.742 1.00 0.00 C ATOM 1037 C PHE A 63 8.395 6.920 -5.213 1.00 0.00 C ATOM 1038 O PHE A 63 9.249 6.095 -5.521 1.00 0.00 O ATOM 1039 CB PHE A 63 6.798 6.087 -3.409 1.00 0.00 C ATOM 1040 CG PHE A 63 7.234 4.638 -3.246 1.00 0.00 C ATOM 1041 CD1 PHE A 63 7.534 3.855 -4.378 1.00 0.00 C ATOM 1042 CD2 PHE A 63 7.357 4.066 -1.963 1.00 0.00 C ATOM 1043 CE1 PHE A 63 7.976 2.530 -4.232 1.00 0.00 C ATOM 1044 CE2 PHE A 63 7.790 2.734 -1.821 1.00 0.00 C ATOM 1045 CZ PHE A 63 8.110 1.964 -2.951 1.00 0.00 C ATOM 0 H PHE A 63 6.672 8.601 -3.250 1.00 0.00 H new ATOM 0 HA PHE A 63 8.812 6.704 -3.134 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.318 6.423 -2.490 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.051 6.150 -4.200 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.423 4.277 -5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.118 4.651 -1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.214 1.943 -5.107 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.877 2.301 -0.835 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.456 0.947 -2.838 1.00 0.00 H new ATOM 1055 N ASP A 64 7.858 7.722 -6.134 1.00 0.00 N ATOM 1056 CA ASP A 64 8.262 7.663 -7.539 1.00 0.00 C ATOM 1057 C ASP A 64 9.714 8.120 -7.696 1.00 0.00 C ATOM 1058 O ASP A 64 10.538 7.395 -8.259 1.00 0.00 O ATOM 1059 CB ASP A 64 7.337 8.480 -8.446 1.00 0.00 C ATOM 1060 CG ASP A 64 7.688 8.187 -9.905 1.00 0.00 C ATOM 1061 OD1 ASP A 64 7.153 7.201 -10.458 1.00 0.00 O ATOM 1062 OD2 ASP A 64 8.548 8.877 -10.497 1.00 0.00 O ATOM 0 H ASP A 64 7.142 8.420 -5.932 1.00 0.00 H new ATOM 0 HA ASP A 64 8.180 6.623 -7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.296 8.225 -8.250 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.449 9.544 -8.238 1.00 0.00 H new ATOM 1067 N ARG A 65 10.056 9.290 -7.145 1.00 0.00 N ATOM 1068 CA ARG A 65 11.405 9.848 -7.211 1.00 0.00 C ATOM 1069 C ARG A 65 12.365 8.927 -6.460 1.00 0.00 C ATOM 1070 O ARG A 65 13.322 8.419 -7.047 1.00 0.00 O ATOM 1071 CB ARG A 65 11.385 11.293 -6.678 1.00 0.00 C ATOM 1072 CG ARG A 65 12.712 11.865 -6.145 1.00 0.00 C ATOM 1073 CD ARG A 65 13.843 11.947 -7.175 1.00 0.00 C ATOM 1074 NE ARG A 65 15.096 11.387 -6.628 1.00 0.00 N ATOM 1075 CZ ARG A 65 15.879 10.473 -7.214 1.00 0.00 C ATOM 1076 NH1 ARG A 65 15.777 10.244 -8.519 1.00 0.00 N ATOM 1077 NH2 ARG A 65 16.763 9.795 -6.489 1.00 0.00 N ATOM 0 H ARG A 65 9.396 9.879 -6.637 1.00 0.00 H new ATOM 0 HA ARG A 65 11.763 9.902 -8.239 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.034 11.944 -7.479 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.648 11.347 -5.877 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.527 12.864 -5.751 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.046 11.250 -5.310 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.560 11.403 -8.076 1.00 0.00 H new ATOM 0 HD3 ARG A 65 14.001 12.986 -7.466 1.00 0.00 H new ATOM 0 HE ARG A 65 15.393 11.730 -5.715 1.00 0.00 H new ATOM 0 HH11 ARG A 65 15.101 10.765 -9.077 1.00 0.00 H new ATOM 0 HH12 ARG A 65 16.375 9.547 -8.963 1.00 0.00 H new ATOM 0 HH21 ARG A 65 16.844 9.971 -5.488 1.00 0.00 H new ATOM 0 HH22 ARG A 65 17.360 9.098 -6.934 1.00 0.00 H new ATOM 1091 N TYR A 66 12.135 8.741 -5.160 1.00 0.00 N ATOM 1092 CA TYR A 66 13.054 8.025 -4.285 1.00 0.00 C ATOM 1093 C TYR A 66 12.732 6.530 -4.296 1.00 0.00 C ATOM 1094 O TYR A 66 13.518 5.736 -4.814 1.00 0.00 O ATOM 1095 CB TYR A 66 13.019 8.613 -2.868 1.00 0.00 C ATOM 1096 CG TYR A 66 13.439 10.066 -2.765 1.00 0.00 C ATOM 1097 CD1 TYR A 66 14.801 10.373 -2.626 1.00 0.00 C ATOM 1098 CD2 TYR A 66 12.492 11.108 -2.826 1.00 0.00 C ATOM 1099 CE1 TYR A 66 15.234 11.707 -2.622 1.00 0.00 C ATOM 1100 CE2 TYR A 66 12.917 12.450 -2.829 1.00 0.00 C ATOM 1101 CZ TYR A 66 14.296 12.751 -2.756 1.00 0.00 C ATOM 1102 OH TYR A 66 14.710 14.043 -2.797 1.00 0.00 O ATOM 0 H TYR A 66 11.301 9.086 -4.685 1.00 0.00 H new ATOM 0 HA TYR A 66 14.071 8.146 -4.657 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.007 8.515 -2.475 1.00 0.00 H new ATOM 0 HB3 TYR A 66 13.669 8.017 -2.228 1.00 0.00 H new ATOM 0 HD1 TYR A 66 15.522 9.576 -2.521 1.00 0.00 H new ATOM 0 HD2 TYR A 66 11.438 10.876 -2.871 1.00 0.00 H new ATOM 0 HE1 TYR A 66 16.285 11.934 -2.516 1.00 0.00 H new ATOM 0 HE2 TYR A 66 12.191 13.248 -2.887 1.00 0.00 H new ATOM 0 HH TYR A 66 13.933 14.633 -2.893 1.00 0.00 H new ATOM 1112 N GLY A 67 11.584 6.138 -3.741 1.00 0.00 N ATOM 1113 CA GLY A 67 11.158 4.742 -3.667 1.00 0.00 C ATOM 1114 C GLY A 67 11.652 4.093 -2.388 1.00 0.00 C ATOM 1115 O GLY A 67 12.846 3.826 -2.249 1.00 0.00 O ATOM 0 H GLY A 67 10.917 6.789 -3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.070 4.687 -3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.540 4.195 -4.529 1.00 0.00 H new ATOM 1119 N GLU A 68 10.719 3.861 -1.460 1.00 0.00 N ATOM 1120 CA GLU A 68 10.909 3.318 -0.115 1.00 0.00 C ATOM 1121 C GLU A 68 11.750 4.259 0.759 1.00 0.00 C ATOM 1122 O GLU A 68 11.211 4.796 1.722 1.00 0.00 O ATOM 1123 CB GLU A 68 11.346 1.842 -0.192 1.00 0.00 C ATOM 1124 CG GLU A 68 11.889 1.228 1.105 1.00 0.00 C ATOM 1125 CD GLU A 68 10.998 1.410 2.337 1.00 0.00 C ATOM 1126 OE1 GLU A 68 9.754 1.307 2.234 1.00 0.00 O ATOM 1127 OE2 GLU A 68 11.573 1.610 3.434 1.00 0.00 O ATOM 0 H GLU A 68 9.737 4.064 -1.645 1.00 0.00 H new ATOM 0 HA GLU A 68 9.963 3.282 0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.493 1.249 -0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.113 1.751 -0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.046 0.161 0.945 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.865 1.666 1.315 1.00 0.00 H new ATOM 1134 N GLU A 69 13.004 4.543 0.406 1.00 0.00 N ATOM 1135 CA GLU A 69 13.909 5.440 1.125 1.00 0.00 C ATOM 1136 C GLU A 69 13.290 6.822 1.337 1.00 0.00 C ATOM 1137 O GLU A 69 13.352 7.371 2.435 1.00 0.00 O ATOM 1138 CB GLU A 69 15.272 5.514 0.408 1.00 0.00 C ATOM 1139 CG GLU A 69 15.264 6.253 -0.943 1.00 0.00 C ATOM 1140 CD GLU A 69 16.509 6.050 -1.815 1.00 0.00 C ATOM 1141 OE1 GLU A 69 17.274 5.077 -1.625 1.00 0.00 O ATOM 1142 OE2 GLU A 69 16.700 6.845 -2.769 1.00 0.00 O ATOM 0 H GLU A 69 13.435 4.137 -0.424 1.00 0.00 H new ATOM 0 HA GLU A 69 14.079 5.028 2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.986 6.006 1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.635 4.499 0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.390 5.931 -1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.145 7.320 -0.753 1.00 0.00 H new ATOM 1149 N GLY A 70 12.631 7.374 0.316 1.00 0.00 N ATOM 1150 CA GLY A 70 11.996 8.679 0.435 1.00 0.00 C ATOM 1151 C GLY A 70 10.740 8.632 1.293 1.00 0.00 C ATOM 1152 O GLY A 70 10.311 9.665 1.796 1.00 0.00 O ATOM 0 H GLY A 70 12.526 6.935 -0.599 1.00 0.00 H new ATOM 0 HA2 GLY A 70 12.703 9.387 0.868 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.742 9.049 -0.558 1.00 0.00 H new ATOM 1156 N LEU A 71 10.116 7.463 1.434 1.00 0.00 N ATOM 1157 CA LEU A 71 8.876 7.341 2.175 1.00 0.00 C ATOM 1158 C LEU A 71 9.219 7.099 3.643 1.00 0.00 C ATOM 1159 O LEU A 71 8.819 7.885 4.499 1.00 0.00 O ATOM 1160 CB LEU A 71 7.988 6.246 1.561 1.00 0.00 C ATOM 1161 CG LEU A 71 6.472 6.512 1.672 1.00 0.00 C ATOM 1162 CD1 LEU A 71 6.004 6.898 3.078 1.00 0.00 C ATOM 1163 CD2 LEU A 71 6.033 7.596 0.680 1.00 0.00 C ATOM 0 H LEU A 71 10.457 6.586 1.040 1.00 0.00 H new ATOM 0 HA LEU A 71 8.290 8.258 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.248 6.133 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.214 5.298 2.048 1.00 0.00 H new ATOM 0 HG LEU A 71 5.999 5.560 1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.927 7.068 3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.239 6.092 3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.512 7.809 3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.961 7.766 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.568 8.522 0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.258 7.272 -0.336 1.00 0.00 H new ATOM 1175 N LYS A 72 9.951 6.022 3.950 1.00 0.00 N ATOM 1176 CA LYS A 72 10.241 5.635 5.328 1.00 0.00 C ATOM 1177 C LYS A 72 11.364 6.464 5.939 1.00 0.00 C ATOM 1178 O LYS A 72 11.412 6.590 7.158 1.00 0.00 O ATOM 1179 CB LYS A 72 10.544 4.122 5.387 1.00 0.00 C ATOM 1180 CG LYS A 72 10.415 3.529 6.804 1.00 0.00 C ATOM 1181 CD LYS A 72 11.733 3.494 7.603 1.00 0.00 C ATOM 1182 CE LYS A 72 11.523 3.706 9.112 1.00 0.00 C ATOM 1183 NZ LYS A 72 11.102 5.088 9.428 1.00 0.00 N ATOM 0 H LYS A 72 10.356 5.399 3.251 1.00 0.00 H new ATOM 0 HA LYS A 72 9.358 5.840 5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.864 3.596 4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.554 3.946 5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.681 4.110 7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.025 2.514 6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.225 2.535 7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.403 4.265 7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.770 3.007 9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.449 3.480 9.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.530 5.384 10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.413 5.728 8.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.066 5.125 9.509 1.00 0.00 H new ATOM 1197 N GLY A 73 12.267 7.003 5.130 1.00 0.00 N ATOM 1198 CA GLY A 73 13.489 7.632 5.600 1.00 0.00 C ATOM 1199 C GLY A 73 13.174 8.916 6.346 1.00 0.00 C ATOM 1200 O GLY A 73 12.889 9.937 5.719 1.00 0.00 O ATOM 0 H GLY A 73 12.167 7.014 4.115 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.029 6.947 6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.143 7.847 4.755 1.00 0.00 H new ATOM 1204 N SER A 74 13.290 8.896 7.673 1.00 0.00 N ATOM 1205 CA SER A 74 12.945 9.982 8.584 1.00 0.00 C ATOM 1206 C SER A 74 11.500 10.443 8.357 1.00 0.00 C ATOM 1207 O SER A 74 10.575 9.740 8.767 1.00 0.00 O ATOM 1208 CB SER A 74 14.022 11.090 8.578 1.00 0.00 C ATOM 1209 OG SER A 74 14.433 11.483 7.277 1.00 0.00 O ATOM 0 H SER A 74 13.646 8.077 8.166 1.00 0.00 H new ATOM 0 HA SER A 74 12.957 9.620 9.612 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.636 11.962 9.106 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.892 10.741 9.134 1.00 0.00 H new ATOM 0 HG SER A 74 13.722 11.279 6.634 1.00 0.00 H new ATOM 1215 N GLY A 75 11.292 11.592 7.718 1.00 0.00 N ATOM 1216 CA GLY A 75 9.989 12.189 7.498 1.00 0.00 C ATOM 1217 C GLY A 75 10.166 13.578 6.898 1.00 0.00 C ATOM 1218 O GLY A 75 11.299 14.016 6.658 1.00 0.00 O ATOM 0 H GLY A 75 12.055 12.146 7.329 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.398 11.564 6.829 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.442 12.254 8.439 1.00 0.00 H new ATOM 1222 N CYS A 76 9.053 14.267 6.657 1.00 0.00 N ATOM 1223 CA CYS A 76 8.995 15.610 6.098 1.00 0.00 C ATOM 1224 C CYS A 76 7.950 16.390 6.864 1.00 0.00 C ATOM 1225 O CYS A 76 6.800 15.907 6.952 1.00 0.00 O ATOM 1226 CB CYS A 76 8.644 15.574 4.603 1.00 0.00 C ATOM 1227 SG CYS A 76 7.298 14.397 4.268 1.00 0.00 S ATOM 0 H CYS A 76 8.128 13.885 6.856 1.00 0.00 H new ATOM 0 HA CYS A 76 9.971 16.087 6.190 1.00 0.00 H new ATOM 0 HB2 CYS A 76 8.350 16.570 4.272 1.00 0.00 H new ATOM 0 HB3 CYS A 76 9.526 15.295 4.027 1.00 0.00 H new ATOM 0 HG CYS A 76 6.448 14.418 5.251 1.00 0.00 H new TER 1233 CYS A 76