USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 460 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 Single : A 1 GLY N :NH3+ -164:sc= -0.0637 (180deg=-0.372) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0.761 K(o=0.76,f=-8.6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -156:sc= 0.0515 (180deg=-0.246) USER MOD Single : A 24 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.9) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= -0.0618 (180deg=-0.537) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= -0.06 (180deg=-0.469) USER MOD Single : A 47 LYS NZ :NH3+ -161:sc= -0.0685 (180deg=-0.491) USER MOD Single : A 48 GLN : amide:sc= -0.0308 K(o=-0.031,f=-1.4!) USER MOD Single : A 50 HIS : no HD1:sc= -3.24! C(o=-3.2!,f=-10!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.841 -24.729 24.693 1.00 0.00 N ATOM 2 CA GLY A 1 10.782 -25.681 25.133 1.00 0.00 C ATOM 3 C GLY A 1 10.901 -25.918 26.635 1.00 0.00 C ATOM 4 O GLY A 1 9.909 -26.185 27.311 1.00 0.00 O ATOM 0 H1 GLY A 1 11.605 -24.358 23.751 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.903 -23.941 25.369 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.756 -25.222 24.652 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.797 -25.281 24.895 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.881 -26.625 24.596 1.00 0.00 H new ATOM 10 N SER A 2 12.122 -25.814 27.150 1.00 0.00 N ATOM 11 CA SER A 2 12.361 -26.013 28.571 1.00 0.00 C ATOM 12 C SER A 2 11.870 -24.809 29.362 1.00 0.00 C ATOM 13 O SER A 2 11.720 -23.716 28.818 1.00 0.00 O ATOM 14 CB SER A 2 13.855 -26.222 28.825 1.00 0.00 C ATOM 15 OG SER A 2 14.282 -27.406 28.167 1.00 0.00 O ATOM 0 H SER A 2 12.956 -25.594 26.606 1.00 0.00 H new ATOM 0 HA SER A 2 11.814 -26.898 28.896 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.421 -25.365 28.460 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.046 -26.298 29.895 1.00 0.00 H new ATOM 0 HG SER A 2 15.239 -27.542 28.326 1.00 0.00 H new ATOM 21 N ALA A 3 11.630 -25.016 30.648 1.00 0.00 N ATOM 22 CA ALA A 3 11.163 -23.937 31.504 1.00 0.00 C ATOM 23 C ALA A 3 12.184 -22.805 31.513 1.00 0.00 C ATOM 24 O ALA A 3 11.823 -21.629 31.537 1.00 0.00 O ATOM 25 CB ALA A 3 10.950 -24.450 32.930 1.00 0.00 C ATOM 0 H ALA A 3 11.750 -25.913 31.118 1.00 0.00 H new ATOM 0 HA ALA A 3 10.215 -23.565 31.115 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.600 -23.634 33.562 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.207 -25.247 32.923 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.891 -24.835 33.322 1.00 0.00 H new ATOM 31 N GLY A 4 13.461 -23.173 31.491 1.00 0.00 N ATOM 32 CA GLY A 4 14.531 -22.182 31.494 1.00 0.00 C ATOM 33 C GLY A 4 14.808 -21.678 32.907 1.00 0.00 C ATOM 34 O GLY A 4 15.636 -20.791 33.108 1.00 0.00 O ATOM 0 H GLY A 4 13.778 -24.142 31.471 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.438 -22.620 31.076 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.257 -21.344 30.853 1.00 0.00 H new ATOM 38 N LEU A 5 14.110 -22.246 33.885 1.00 0.00 N ATOM 39 CA LEU A 5 14.298 -21.838 35.275 1.00 0.00 C ATOM 40 C LEU A 5 15.716 -22.157 35.740 1.00 0.00 C ATOM 41 O LEU A 5 16.336 -21.370 36.456 1.00 0.00 O ATOM 42 CB LEU A 5 13.288 -22.548 36.185 1.00 0.00 C ATOM 43 CG LEU A 5 11.866 -22.009 35.944 1.00 0.00 C ATOM 44 CD1 LEU A 5 10.865 -22.902 36.684 1.00 0.00 C ATOM 45 CD2 LEU A 5 11.743 -20.557 36.459 1.00 0.00 C ATOM 0 H LEU A 5 13.417 -22.981 33.745 1.00 0.00 H new ATOM 0 HA LEU A 5 14.137 -20.762 35.336 1.00 0.00 H new ATOM 0 HB2 LEU A 5 13.312 -23.621 35.996 1.00 0.00 H new ATOM 0 HB3 LEU A 5 13.566 -22.402 37.229 1.00 0.00 H new ATOM 0 HG LEU A 5 11.656 -22.016 34.874 1.00 0.00 H new ATOM 0 HD11 LEU A 5 9.854 -22.529 36.520 1.00 0.00 H new ATOM 0 HD12 LEU A 5 10.941 -23.922 36.308 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.087 -22.891 37.751 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.732 -20.192 36.280 1.00 0.00 H new ATOM 0 HD22 LEU A 5 11.955 -20.531 37.528 1.00 0.00 H new ATOM 0 HD23 LEU A 5 12.456 -19.923 35.932 1.00 0.00 H new ATOM 57 N GLN A 6 16.225 -23.317 35.334 1.00 0.00 N ATOM 58 CA GLN A 6 17.569 -23.727 35.722 1.00 0.00 C ATOM 59 C GLN A 6 18.633 -22.869 35.037 1.00 0.00 C ATOM 60 O GLN A 6 19.738 -22.708 35.555 1.00 0.00 O ATOM 61 CB GLN A 6 17.789 -25.215 35.394 1.00 0.00 C ATOM 62 CG GLN A 6 17.613 -25.486 33.881 1.00 0.00 C ATOM 63 CD GLN A 6 16.166 -25.871 33.568 1.00 0.00 C ATOM 64 OE1 GLN A 6 15.239 -25.395 34.222 1.00 0.00 O ATOM 65 NE2 GLN A 6 15.921 -26.708 32.598 1.00 0.00 N ATOM 0 H GLN A 6 15.731 -23.984 34.741 1.00 0.00 H new ATOM 0 HA GLN A 6 17.665 -23.583 36.798 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.789 -25.515 35.706 1.00 0.00 H new ATOM 0 HB3 GLN A 6 17.083 -25.823 35.960 1.00 0.00 H new ATOM 0 HG2 GLN A 6 17.890 -24.598 33.312 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.284 -26.287 33.569 1.00 0.00 H new ATOM 0 HE21 GLN A 6 16.691 -27.101 32.057 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.959 -26.969 32.380 1.00 0.00 H new ATOM 74 N GLU A 7 18.292 -22.315 33.877 1.00 0.00 N ATOM 75 CA GLU A 7 19.231 -21.471 33.143 1.00 0.00 C ATOM 76 C GLU A 7 19.547 -20.206 33.936 1.00 0.00 C ATOM 77 O GLU A 7 20.692 -19.755 33.978 1.00 0.00 O ATOM 78 CB GLU A 7 18.654 -21.098 31.772 1.00 0.00 C ATOM 79 CG GLU A 7 18.653 -22.327 30.856 1.00 0.00 C ATOM 80 CD GLU A 7 17.901 -22.014 29.567 1.00 0.00 C ATOM 81 OE1 GLU A 7 17.218 -21.002 29.533 1.00 0.00 O ATOM 82 OE2 GLU A 7 18.017 -22.789 28.633 1.00 0.00 O1- ATOM 0 H GLU A 7 17.383 -22.433 33.429 1.00 0.00 H new ATOM 0 HA GLU A 7 20.154 -22.033 32.997 1.00 0.00 H new ATOM 0 HB2 GLU A 7 17.639 -20.717 31.886 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.245 -20.300 31.324 1.00 0.00 H new ATOM 0 HG2 GLU A 7 19.677 -22.621 30.627 1.00 0.00 H new ATOM 0 HG3 GLU A 7 18.185 -23.170 31.365 1.00 0.00 H new ATOM 89 N LYS A 8 18.523 -19.645 34.570 1.00 0.00 N ATOM 90 CA LYS A 8 18.689 -18.436 35.372 1.00 0.00 C ATOM 91 C LYS A 8 19.305 -17.309 34.546 1.00 0.00 C ATOM 92 O LYS A 8 19.758 -16.304 35.095 1.00 0.00 O ATOM 93 CB LYS A 8 19.583 -18.730 36.578 1.00 0.00 C ATOM 94 CG LYS A 8 18.927 -19.810 37.446 1.00 0.00 C ATOM 95 CD LYS A 8 19.897 -20.282 38.537 1.00 0.00 C ATOM 96 CE LYS A 8 20.088 -19.190 39.595 1.00 0.00 C ATOM 97 NZ LYS A 8 20.867 -19.742 40.739 1.00 0.00 N1+ ATOM 0 H LYS A 8 17.570 -20.007 34.545 1.00 0.00 H new ATOM 0 HA LYS A 8 17.703 -18.118 35.712 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.565 -19.063 36.244 1.00 0.00 H new ATOM 0 HB3 LYS A 8 19.736 -17.822 37.161 1.00 0.00 H new ATOM 0 HG2 LYS A 8 18.019 -19.416 37.903 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.630 -20.655 36.824 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.513 -21.188 39.006 1.00 0.00 H new ATOM 0 HD3 LYS A 8 20.859 -20.537 38.091 1.00 0.00 H new ATOM 0 HE2 LYS A 8 20.610 -18.337 39.163 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.119 -18.829 39.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.998 -19.003 41.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.351 -20.543 41.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.796 -20.066 40.402 1.00 0.00 H new ATOM 111 N GLU A 9 19.309 -17.471 33.228 1.00 0.00 N ATOM 112 CA GLU A 9 19.862 -16.446 32.345 1.00 0.00 C ATOM 113 C GLU A 9 19.030 -15.169 32.415 1.00 0.00 C ATOM 114 O GLU A 9 19.571 -14.064 32.395 1.00 0.00 O ATOM 115 CB GLU A 9 19.920 -16.954 30.902 1.00 0.00 C ATOM 116 CG GLU A 9 21.033 -17.998 30.766 1.00 0.00 C ATOM 117 CD GLU A 9 20.944 -18.680 29.405 1.00 0.00 C ATOM 118 OE1 GLU A 9 19.916 -18.542 28.762 1.00 0.00 O ATOM 119 OE2 GLU A 9 21.904 -19.332 29.028 1.00 0.00 O1- ATOM 0 H GLU A 9 18.940 -18.293 32.749 1.00 0.00 H new ATOM 0 HA GLU A 9 20.875 -16.222 32.680 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.962 -17.391 30.622 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.103 -16.123 30.221 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.006 -17.521 30.880 1.00 0.00 H new ATOM 0 HG3 GLU A 9 20.946 -18.740 31.560 1.00 0.00 H new ATOM 126 N ARG A 10 17.713 -15.330 32.490 1.00 0.00 N ATOM 127 CA ARG A 10 16.817 -14.180 32.558 1.00 0.00 C ATOM 128 C ARG A 10 17.083 -13.364 33.818 1.00 0.00 C ATOM 129 O ARG A 10 17.056 -12.133 33.789 1.00 0.00 O ATOM 130 CB ARG A 10 15.362 -14.651 32.550 1.00 0.00 C ATOM 131 CG ARG A 10 15.017 -15.227 31.176 1.00 0.00 C ATOM 132 CD ARG A 10 13.632 -15.872 31.225 1.00 0.00 C ATOM 133 NE ARG A 10 13.653 -17.048 32.088 1.00 0.00 N ATOM 134 CZ ARG A 10 12.543 -17.735 32.341 1.00 0.00 C ATOM 135 NH1 ARG A 10 12.588 -18.784 33.116 1.00 0.00 N1+ ATOM 136 NH2 ARG A 10 11.409 -17.358 31.817 1.00 0.00 N ATOM 0 H ARG A 10 17.245 -16.236 32.505 1.00 0.00 H new ATOM 0 HA ARG A 10 17.000 -13.550 31.688 1.00 0.00 H new ATOM 0 HB2 ARG A 10 15.209 -15.406 33.321 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.698 -13.818 32.784 1.00 0.00 H new ATOM 0 HG2 ARG A 10 15.036 -14.438 30.424 1.00 0.00 H new ATOM 0 HG3 ARG A 10 15.763 -15.965 30.882 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.901 -15.153 31.596 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.319 -16.155 30.220 1.00 0.00 H new ATOM 0 HE ARG A 10 14.534 -17.348 32.504 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.474 -19.077 33.527 1.00 0.00 H new ATOM 0 HH12 ARG A 10 11.737 -19.311 33.310 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.374 -16.536 31.213 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.557 -17.885 32.011 1.00 0.00 H new ATOM 150 N GLU A 11 17.340 -14.055 34.925 1.00 0.00 N ATOM 151 CA GLU A 11 17.607 -13.379 36.188 1.00 0.00 C ATOM 152 C GLU A 11 18.856 -12.511 36.063 1.00 0.00 C ATOM 153 O GLU A 11 18.884 -11.374 36.536 1.00 0.00 O ATOM 154 CB GLU A 11 17.799 -14.419 37.302 1.00 0.00 C ATOM 155 CG GLU A 11 18.052 -13.723 38.646 1.00 0.00 C ATOM 156 CD GLU A 11 16.840 -12.883 39.038 1.00 0.00 C ATOM 157 OE1 GLU A 11 15.766 -13.151 38.526 1.00 0.00 O ATOM 158 OE2 GLU A 11 17.006 -11.983 39.846 1.00 0.00 O1- ATOM 0 H GLU A 11 17.369 -15.073 34.972 1.00 0.00 H new ATOM 0 HA GLU A 11 16.759 -12.741 36.437 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.914 -15.052 37.374 1.00 0.00 H new ATOM 0 HB3 GLU A 11 18.638 -15.071 37.059 1.00 0.00 H new ATOM 0 HG2 GLU A 11 18.254 -14.467 39.417 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.936 -13.089 38.575 1.00 0.00 H new ATOM 165 N LEU A 12 19.887 -13.054 35.424 1.00 0.00 N ATOM 166 CA LEU A 12 21.134 -12.319 35.240 1.00 0.00 C ATOM 167 C LEU A 12 20.888 -11.058 34.415 1.00 0.00 C ATOM 168 O LEU A 12 21.382 -9.981 34.749 1.00 0.00 O ATOM 169 CB LEU A 12 22.163 -13.217 34.542 1.00 0.00 C ATOM 170 CG LEU A 12 23.482 -12.460 34.322 1.00 0.00 C ATOM 171 CD1 LEU A 12 24.070 -12.012 35.671 1.00 0.00 C ATOM 172 CD2 LEU A 12 24.474 -13.391 33.614 1.00 0.00 C ATOM 0 H LEU A 12 19.885 -13.994 35.027 1.00 0.00 H new ATOM 0 HA LEU A 12 21.521 -12.024 36.215 1.00 0.00 H new ATOM 0 HB2 LEU A 12 22.345 -14.107 35.144 1.00 0.00 H new ATOM 0 HB3 LEU A 12 21.768 -13.555 33.584 1.00 0.00 H new ATOM 0 HG LEU A 12 23.295 -11.576 33.712 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.004 -11.477 35.501 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.362 -11.355 36.176 1.00 0.00 H new ATOM 0 HD13 LEU A 12 24.261 -12.886 36.293 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.415 -12.865 33.452 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.652 -14.271 34.232 1.00 0.00 H new ATOM 0 HD23 LEU A 12 24.061 -13.700 32.654 1.00 0.00 H new ATOM 184 N GLU A 13 20.120 -11.202 33.340 1.00 0.00 N ATOM 185 CA GLU A 13 19.813 -10.069 32.472 1.00 0.00 C ATOM 186 C GLU A 13 19.038 -9.002 33.239 1.00 0.00 C ATOM 187 O GLU A 13 19.278 -7.806 33.073 1.00 0.00 O ATOM 188 CB GLU A 13 18.987 -10.541 31.272 1.00 0.00 C ATOM 189 CG GLU A 13 18.791 -9.384 30.282 1.00 0.00 C ATOM 190 CD GLU A 13 17.681 -8.450 30.762 1.00 0.00 C ATOM 191 OE1 GLU A 13 16.796 -8.918 31.460 1.00 0.00 O ATOM 192 OE2 GLU A 13 17.734 -7.280 30.423 1.00 0.00 O1- ATOM 0 H GLU A 13 19.701 -12.085 33.050 1.00 0.00 H new ATOM 0 HA GLU A 13 20.750 -9.638 32.121 1.00 0.00 H new ATOM 0 HB2 GLU A 13 19.490 -11.372 30.778 1.00 0.00 H new ATOM 0 HB3 GLU A 13 18.018 -10.910 31.609 1.00 0.00 H new ATOM 0 HG2 GLU A 13 19.722 -8.827 30.176 1.00 0.00 H new ATOM 0 HG3 GLU A 13 18.541 -9.779 29.297 1.00 0.00 H new ATOM 199 N ASP A 14 18.107 -9.444 34.076 1.00 0.00 N ATOM 200 CA ASP A 14 17.295 -8.522 34.863 1.00 0.00 C ATOM 201 C ASP A 14 18.174 -7.678 35.781 1.00 0.00 C ATOM 202 O ASP A 14 17.947 -6.480 35.944 1.00 0.00 O ATOM 203 CB ASP A 14 16.282 -9.304 35.701 1.00 0.00 C ATOM 204 CG ASP A 14 15.370 -8.339 36.451 1.00 0.00 C ATOM 205 OD1 ASP A 14 15.648 -7.151 36.422 1.00 0.00 O ATOM 206 OD2 ASP A 14 14.409 -8.802 37.043 1.00 0.00 O1- ATOM 0 H ASP A 14 17.896 -10.430 34.227 1.00 0.00 H new ATOM 0 HA ASP A 14 16.767 -7.859 34.178 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.688 -9.952 35.057 1.00 0.00 H new ATOM 0 HB3 ASP A 14 16.803 -9.949 36.408 1.00 0.00 H new ATOM 211 N LEU A 15 19.175 -8.311 36.385 1.00 0.00 N ATOM 212 CA LEU A 15 20.075 -7.604 37.290 1.00 0.00 C ATOM 213 C LEU A 15 20.822 -6.499 36.549 1.00 0.00 C ATOM 214 O LEU A 15 21.015 -5.405 37.080 1.00 0.00 O ATOM 215 CB LEU A 15 21.085 -8.583 37.894 1.00 0.00 C ATOM 216 CG LEU A 15 20.377 -9.552 38.855 1.00 0.00 C ATOM 217 CD1 LEU A 15 21.359 -10.653 39.267 1.00 0.00 C ATOM 218 CD2 LEU A 15 19.879 -8.803 40.112 1.00 0.00 C ATOM 0 H LEU A 15 19.382 -9.303 36.266 1.00 0.00 H new ATOM 0 HA LEU A 15 19.479 -7.157 38.086 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.579 -9.143 37.100 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.861 -8.033 38.427 1.00 0.00 H new ATOM 0 HG LEU A 15 19.516 -9.990 38.350 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.865 -11.345 39.949 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.693 -11.193 38.381 1.00 0.00 H new ATOM 0 HD13 LEU A 15 22.219 -10.206 39.765 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.381 -9.505 40.780 1.00 0.00 H new ATOM 0 HD22 LEU A 15 20.727 -8.352 40.627 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.177 -8.023 39.817 1.00 0.00 H new ATOM 230 N LYS A 16 21.237 -6.787 35.319 1.00 0.00 N ATOM 231 CA LYS A 16 21.957 -5.801 34.520 1.00 0.00 C ATOM 232 C LYS A 16 21.079 -4.583 34.251 1.00 0.00 C ATOM 233 O LYS A 16 21.551 -3.447 34.280 1.00 0.00 O ATOM 234 CB LYS A 16 22.399 -6.419 33.191 1.00 0.00 C ATOM 235 CG LYS A 16 23.507 -7.443 33.446 1.00 0.00 C ATOM 236 CD LYS A 16 23.948 -8.059 32.116 1.00 0.00 C ATOM 237 CE LYS A 16 25.067 -9.071 32.367 1.00 0.00 C ATOM 238 NZ LYS A 16 25.490 -9.676 31.073 1.00 0.00 N1+ ATOM 0 H LYS A 16 21.089 -7.685 34.858 1.00 0.00 H new ATOM 0 HA LYS A 16 22.837 -5.484 35.080 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.552 -6.899 32.702 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.757 -5.641 32.517 1.00 0.00 H new ATOM 0 HG2 LYS A 16 24.355 -6.963 33.936 1.00 0.00 H new ATOM 0 HG3 LYS A 16 23.149 -8.222 34.119 1.00 0.00 H new ATOM 0 HD2 LYS A 16 23.103 -8.548 31.632 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.295 -7.278 31.439 1.00 0.00 H new ATOM 0 HE2 LYS A 16 25.915 -8.580 32.845 1.00 0.00 H new ATOM 0 HE3 LYS A 16 24.722 -9.849 33.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 26.251 -10.364 31.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 24.680 -10.158 30.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 25.835 -8.929 30.437 1.00 0.00 H new ATOM 252 N ASP A 17 19.799 -4.829 33.989 1.00 0.00 N ATOM 253 CA ASP A 17 18.865 -3.743 33.716 1.00 0.00 C ATOM 254 C ASP A 17 18.766 -2.807 34.917 1.00 0.00 C ATOM 255 O ASP A 17 18.763 -1.585 34.764 1.00 0.00 O ATOM 256 CB ASP A 17 17.481 -4.313 33.396 1.00 0.00 C ATOM 257 CG ASP A 17 16.526 -3.183 33.025 1.00 0.00 C ATOM 258 OD1 ASP A 17 16.910 -2.035 33.172 1.00 0.00 O ATOM 259 OD2 ASP A 17 15.423 -3.483 32.601 1.00 0.00 O1- ATOM 0 H ASP A 17 19.388 -5.762 33.960 1.00 0.00 H new ATOM 0 HA ASP A 17 19.233 -3.179 32.859 1.00 0.00 H new ATOM 0 HB2 ASP A 17 17.553 -5.025 32.574 1.00 0.00 H new ATOM 0 HB3 ASP A 17 17.095 -4.859 34.257 1.00 0.00 H new ATOM 264 N ALA A 18 18.688 -3.389 36.108 1.00 0.00 N ATOM 265 CA ALA A 18 18.591 -2.598 37.329 1.00 0.00 C ATOM 266 C ALA A 18 19.824 -1.717 37.500 1.00 0.00 C ATOM 267 O ALA A 18 19.723 -0.564 37.918 1.00 0.00 O ATOM 268 CB ALA A 18 18.449 -3.522 38.541 1.00 0.00 C ATOM 0 H ALA A 18 18.690 -4.398 36.254 1.00 0.00 H new ATOM 0 HA ALA A 18 17.711 -1.959 37.254 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.377 -2.923 39.449 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.549 -4.127 38.434 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.320 -4.175 38.605 1.00 0.00 H new ATOM 274 N GLU A 19 20.988 -2.269 37.175 1.00 0.00 N ATOM 275 CA GLU A 19 22.237 -1.526 37.299 1.00 0.00 C ATOM 276 C GLU A 19 22.232 -0.307 36.381 1.00 0.00 C ATOM 277 O GLU A 19 22.704 0.766 36.756 1.00 0.00 O ATOM 278 CB GLU A 19 23.420 -2.428 36.944 1.00 0.00 C ATOM 279 CG GLU A 19 23.606 -3.481 38.038 1.00 0.00 C ATOM 280 CD GLU A 19 24.666 -4.492 37.614 1.00 0.00 C ATOM 281 OE1 GLU A 19 25.036 -4.481 36.452 1.00 0.00 O ATOM 282 OE2 GLU A 19 25.092 -5.262 38.458 1.00 0.00 O1- ATOM 0 H GLU A 19 21.093 -3.222 36.826 1.00 0.00 H new ATOM 0 HA GLU A 19 22.334 -1.189 38.331 1.00 0.00 H new ATOM 0 HB2 GLU A 19 23.246 -2.913 35.984 1.00 0.00 H new ATOM 0 HB3 GLU A 19 24.327 -1.832 36.840 1.00 0.00 H new ATOM 0 HG2 GLU A 19 23.902 -3.000 38.970 1.00 0.00 H new ATOM 0 HG3 GLU A 19 22.661 -3.990 38.228 1.00 0.00 H new ATOM 289 N LEU A 20 21.697 -0.479 35.176 1.00 0.00 N ATOM 290 CA LEU A 20 21.638 0.617 34.215 1.00 0.00 C ATOM 291 C LEU A 20 20.768 1.750 34.753 1.00 0.00 C ATOM 292 O LEU A 20 21.088 2.925 34.582 1.00 0.00 O ATOM 293 CB LEU A 20 21.064 0.118 32.885 1.00 0.00 C ATOM 294 CG LEU A 20 22.053 -0.839 32.203 1.00 0.00 C ATOM 295 CD1 LEU A 20 21.369 -1.488 30.996 1.00 0.00 C ATOM 296 CD2 LEU A 20 23.313 -0.076 31.739 1.00 0.00 C ATOM 0 H LEU A 20 21.301 -1.359 34.844 1.00 0.00 H new ATOM 0 HA LEU A 20 22.649 0.991 34.055 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.116 -0.391 33.058 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.856 0.964 32.230 1.00 0.00 H new ATOM 0 HG LEU A 20 22.357 -1.606 32.916 1.00 0.00 H new ATOM 0 HD11 LEU A 20 22.065 -2.169 30.506 1.00 0.00 H new ATOM 0 HD12 LEU A 20 20.492 -2.043 31.330 1.00 0.00 H new ATOM 0 HD13 LEU A 20 21.062 -0.714 30.292 1.00 0.00 H new ATOM 0 HD21 LEU A 20 24.002 -0.770 31.258 1.00 0.00 H new ATOM 0 HD22 LEU A 20 23.027 0.701 31.030 1.00 0.00 H new ATOM 0 HD23 LEU A 20 23.800 0.380 32.601 1.00 0.00 H new ATOM 308 N LYS A 21 19.668 1.386 35.403 1.00 0.00 N ATOM 309 CA LYS A 21 18.758 2.379 35.962 1.00 0.00 C ATOM 310 C LYS A 21 19.470 3.211 37.026 1.00 0.00 C ATOM 311 O LYS A 21 19.272 4.423 37.114 1.00 0.00 O ATOM 312 CB LYS A 21 17.543 1.683 36.587 1.00 0.00 C ATOM 313 CG LYS A 21 16.656 1.062 35.492 1.00 0.00 C ATOM 314 CD LYS A 21 15.719 2.121 34.893 1.00 0.00 C ATOM 315 CE LYS A 21 14.742 1.444 33.928 1.00 0.00 C ATOM 316 NZ LYS A 21 15.493 0.909 32.756 1.00 0.00 N1+ ATOM 0 H LYS A 21 19.386 0.418 35.555 1.00 0.00 H new ATOM 0 HA LYS A 21 18.426 3.036 35.158 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.876 0.908 37.277 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.964 2.401 37.169 1.00 0.00 H new ATOM 0 HG2 LYS A 21 17.281 0.636 34.707 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.069 0.244 35.911 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.171 2.629 35.687 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.298 2.881 34.369 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.214 0.636 34.435 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.988 2.158 33.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.851 0.824 31.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.271 1.556 32.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.881 -0.027 32.990 1.00 0.00 H new ATOM 330 N ARG A 22 20.296 2.551 37.829 1.00 0.00 N ATOM 331 CA ARG A 22 21.032 3.238 38.885 1.00 0.00 C ATOM 332 C ARG A 22 21.950 4.303 38.293 1.00 0.00 C ATOM 333 O ARG A 22 22.039 5.416 38.812 1.00 0.00 O ATOM 334 CB ARG A 22 21.864 2.229 39.682 1.00 0.00 C ATOM 335 CG ARG A 22 22.601 2.951 40.812 1.00 0.00 C ATOM 336 CD ARG A 22 23.299 1.923 41.706 1.00 0.00 C ATOM 337 NE ARG A 22 22.310 1.115 42.410 1.00 0.00 N ATOM 338 CZ ARG A 22 22.680 0.105 43.192 1.00 0.00 C ATOM 339 NH1 ARG A 22 21.777 -0.605 43.812 1.00 0.00 N1+ ATOM 340 NH2 ARG A 22 23.946 -0.176 43.339 1.00 0.00 N ATOM 0 H ARG A 22 20.473 1.548 37.771 1.00 0.00 H new ATOM 0 HA ARG A 22 20.314 3.722 39.548 1.00 0.00 H new ATOM 0 HB2 ARG A 22 21.218 1.453 40.093 1.00 0.00 H new ATOM 0 HB3 ARG A 22 22.579 1.733 39.026 1.00 0.00 H new ATOM 0 HG2 ARG A 22 23.333 3.645 40.398 1.00 0.00 H new ATOM 0 HG3 ARG A 22 21.898 3.542 41.399 1.00 0.00 H new ATOM 0 HD2 ARG A 22 23.941 1.281 41.102 1.00 0.00 H new ATOM 0 HD3 ARG A 22 23.942 2.432 42.424 1.00 0.00 H new ATOM 0 HE ARG A 22 21.318 1.328 42.301 1.00 0.00 H new ATOM 0 HH11 ARG A 22 20.788 -0.385 43.697 1.00 0.00 H new ATOM 0 HH12 ARG A 22 22.061 -1.380 44.412 1.00 0.00 H new ATOM 0 HH21 ARG A 22 24.651 0.379 42.854 1.00 0.00 H new ATOM 0 HH22 ARG A 22 24.230 -0.951 43.939 1.00 0.00 H new ATOM 354 N LEU A 23 22.632 3.953 37.209 1.00 0.00 N ATOM 355 CA LEU A 23 23.546 4.885 36.554 1.00 0.00 C ATOM 356 C LEU A 23 22.787 6.102 36.029 1.00 0.00 C ATOM 357 O LEU A 23 23.274 7.229 36.106 1.00 0.00 O ATOM 358 CB LEU A 23 24.259 4.188 35.391 1.00 0.00 C ATOM 359 CG LEU A 23 25.230 3.123 35.924 1.00 0.00 C ATOM 360 CD1 LEU A 23 25.754 2.295 34.746 1.00 0.00 C ATOM 361 CD2 LEU A 23 26.413 3.787 36.661 1.00 0.00 C ATOM 0 H LEU A 23 22.571 3.036 36.766 1.00 0.00 H new ATOM 0 HA LEU A 23 24.282 5.217 37.287 1.00 0.00 H new ATOM 0 HB2 LEU A 23 23.526 3.724 34.731 1.00 0.00 H new ATOM 0 HB3 LEU A 23 24.803 4.922 34.797 1.00 0.00 H new ATOM 0 HG LEU A 23 24.704 2.479 36.629 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.444 1.536 35.113 1.00 0.00 H new ATOM 0 HD12 LEU A 23 24.918 1.811 34.241 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.273 2.948 34.044 1.00 0.00 H new ATOM 0 HD21 LEU A 23 27.090 3.017 37.031 1.00 0.00 H new ATOM 0 HD22 LEU A 23 26.949 4.441 35.973 1.00 0.00 H new ATOM 0 HD23 LEU A 23 26.037 4.373 37.500 1.00 0.00 H new ATOM 373 N ASN A 24 21.596 5.863 35.491 1.00 0.00 N ATOM 374 CA ASN A 24 20.781 6.948 34.951 1.00 0.00 C ATOM 375 C ASN A 24 20.426 7.951 36.043 1.00 0.00 C ATOM 376 O ASN A 24 20.415 9.160 35.808 1.00 0.00 O ATOM 377 CB ASN A 24 19.498 6.382 34.338 1.00 0.00 C ATOM 378 CG ASN A 24 19.826 5.612 33.063 1.00 0.00 C ATOM 379 OD1 ASN A 24 19.570 4.410 32.980 1.00 0.00 O ATOM 380 ND2 ASN A 24 20.380 6.235 32.060 1.00 0.00 N ATOM 0 H ASN A 24 21.175 4.937 35.417 1.00 0.00 H new ATOM 0 HA ASN A 24 21.358 7.459 34.180 1.00 0.00 H new ATOM 0 HB2 ASN A 24 19.003 5.725 35.053 1.00 0.00 H new ATOM 0 HB3 ASN A 24 18.803 7.192 34.115 1.00 0.00 H new ATOM 0 HD21 ASN A 24 20.602 5.727 31.204 1.00 0.00 H new ATOM 0 HD22 ASN A 24 20.591 7.230 32.132 1.00 0.00 H new ATOM 387 N GLU A 25 20.133 7.443 37.236 1.00 0.00 N ATOM 388 CA GLU A 25 19.774 8.303 38.359 1.00 0.00 C ATOM 389 C GLU A 25 18.579 9.183 37.991 1.00 0.00 C ATOM 390 O GLU A 25 17.748 8.797 37.169 1.00 0.00 O ATOM 391 CB GLU A 25 20.970 9.182 38.746 1.00 0.00 C ATOM 392 CG GLU A 25 22.150 8.294 39.139 1.00 0.00 C ATOM 393 CD GLU A 25 23.339 9.157 39.545 1.00 0.00 C ATOM 394 OE1 GLU A 25 23.230 10.368 39.443 1.00 0.00 O ATOM 395 OE2 GLU A 25 24.343 8.595 39.952 1.00 0.00 O1- ATOM 0 H GLU A 25 20.137 6.446 37.450 1.00 0.00 H new ATOM 0 HA GLU A 25 19.500 7.677 39.208 1.00 0.00 H new ATOM 0 HB2 GLU A 25 21.248 9.825 37.911 1.00 0.00 H new ATOM 0 HB3 GLU A 25 20.701 9.836 39.576 1.00 0.00 H new ATOM 0 HG2 GLU A 25 21.865 7.641 39.964 1.00 0.00 H new ATOM 0 HG3 GLU A 25 22.426 7.650 38.304 1.00 0.00 H new ATOM 402 N GLU A 26 18.494 10.366 38.599 1.00 0.00 N ATOM 403 CA GLU A 26 17.392 11.284 38.322 1.00 0.00 C ATOM 404 C GLU A 26 17.680 12.085 37.046 1.00 0.00 C ATOM 405 O GLU A 26 18.749 11.945 36.454 1.00 0.00 O ATOM 406 CB GLU A 26 17.200 12.245 39.499 1.00 0.00 C ATOM 407 CG GLU A 26 16.795 11.461 40.758 1.00 0.00 C ATOM 408 CD GLU A 26 18.029 10.864 41.432 1.00 0.00 C ATOM 409 OE1 GLU A 26 19.119 11.066 40.924 1.00 0.00 O ATOM 410 OE2 GLU A 26 17.862 10.210 42.450 1.00 0.00 O1- ATOM 0 H GLU A 26 19.170 10.709 39.282 1.00 0.00 H new ATOM 0 HA GLU A 26 16.481 10.703 38.181 1.00 0.00 H new ATOM 0 HB2 GLU A 26 18.123 12.795 39.684 1.00 0.00 H new ATOM 0 HB3 GLU A 26 16.433 12.981 39.257 1.00 0.00 H new ATOM 0 HG2 GLU A 26 16.276 12.120 41.454 1.00 0.00 H new ATOM 0 HG3 GLU A 26 16.098 10.667 40.491 1.00 0.00 H new ATOM 417 N ARG A 27 16.729 12.927 36.619 1.00 0.00 N ATOM 418 CA ARG A 27 16.924 13.726 35.416 1.00 0.00 C ATOM 419 C ARG A 27 18.052 14.736 35.615 1.00 0.00 C ATOM 420 O ARG A 27 18.641 15.219 34.649 1.00 0.00 O ATOM 421 CB ARG A 27 15.625 14.458 35.059 1.00 0.00 C ATOM 422 CG ARG A 27 15.310 15.511 36.126 1.00 0.00 C ATOM 423 CD ARG A 27 13.920 16.094 35.869 1.00 0.00 C ATOM 424 NE ARG A 27 12.897 15.082 36.103 1.00 0.00 N ATOM 425 CZ ARG A 27 12.483 14.794 37.333 1.00 0.00 C ATOM 426 NH1 ARG A 27 11.566 13.884 37.518 1.00 0.00 N1+ ATOM 427 NH2 ARG A 27 12.993 15.422 38.358 1.00 0.00 N ATOM 0 H ARG A 27 15.832 13.067 37.085 1.00 0.00 H new ATOM 0 HA ARG A 27 17.198 13.059 34.599 1.00 0.00 H new ATOM 0 HB2 ARG A 27 15.722 14.934 34.083 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.804 13.745 34.986 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.350 15.062 37.119 1.00 0.00 H new ATOM 0 HG3 ARG A 27 16.059 16.303 36.103 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.751 16.950 36.522 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.854 16.457 34.843 1.00 0.00 H new ATOM 0 HE ARG A 27 12.492 14.586 35.309 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.166 13.393 36.718 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.249 13.664 38.462 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.709 16.134 38.215 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.675 15.201 39.302 1.00 0.00 H new ATOM 441 N HIS A 28 18.342 15.051 36.874 1.00 0.00 N ATOM 442 CA HIS A 28 19.397 16.008 37.187 1.00 0.00 C ATOM 443 C HIS A 28 20.750 15.489 36.708 1.00 0.00 C ATOM 444 O HIS A 28 21.569 16.249 36.191 1.00 0.00 O ATOM 445 CB HIS A 28 19.449 16.252 38.696 1.00 0.00 C ATOM 446 CG HIS A 28 18.252 17.061 39.118 1.00 0.00 C ATOM 447 ND1 HIS A 28 17.007 16.487 39.321 1.00 0.00 N ATOM 448 CD2 HIS A 28 18.095 18.398 39.380 1.00 0.00 C ATOM 449 CE1 HIS A 28 16.162 17.467 39.687 1.00 0.00 C ATOM 450 NE2 HIS A 28 16.775 18.653 39.740 1.00 0.00 N ATOM 0 H HIS A 28 17.866 14.661 37.687 1.00 0.00 H new ATOM 0 HA HIS A 28 19.176 16.944 36.674 1.00 0.00 H new ATOM 0 HB2 HIS A 28 19.464 15.301 39.228 1.00 0.00 H new ATOM 0 HB3 HIS A 28 20.367 16.778 38.958 1.00 0.00 H new ATOM 0 HD2 HIS A 28 18.877 19.140 39.317 1.00 0.00 H new ATOM 0 HE1 HIS A 28 15.117 17.314 39.911 1.00 0.00 H new ATOM 0 HE2 HIS A 28 16.364 19.552 39.991 1.00 0.00 H new ATOM 458 N ASP A 29 20.977 14.191 36.881 1.00 0.00 N ATOM 459 CA ASP A 29 22.233 13.584 36.461 1.00 0.00 C ATOM 460 C ASP A 29 22.424 13.735 34.956 1.00 0.00 C ATOM 461 O ASP A 29 23.516 14.053 34.487 1.00 0.00 O ATOM 462 CB ASP A 29 22.247 12.101 36.835 1.00 0.00 C ATOM 463 CG ASP A 29 23.593 11.484 36.474 1.00 0.00 C ATOM 464 OD1 ASP A 29 24.382 12.163 35.835 1.00 0.00 O ATOM 465 OD2 ASP A 29 23.819 10.343 36.842 1.00 0.00 O1- ATOM 0 H ASP A 29 20.313 13.544 37.306 1.00 0.00 H new ATOM 0 HA ASP A 29 23.050 14.094 36.971 1.00 0.00 H new ATOM 0 HB2 ASP A 29 22.059 11.985 37.902 1.00 0.00 H new ATOM 0 HB3 ASP A 29 21.446 11.578 36.312 1.00 0.00 H new ATOM 470 N HIS A 30 21.352 13.505 34.204 1.00 0.00 N ATOM 471 CA HIS A 30 21.411 13.618 32.751 1.00 0.00 C ATOM 472 C HIS A 30 21.804 15.034 32.340 1.00 0.00 C ATOM 473 O HIS A 30 22.669 15.223 31.484 1.00 0.00 O ATOM 474 CB HIS A 30 20.055 13.260 32.142 1.00 0.00 C ATOM 475 CG HIS A 30 20.112 13.435 30.649 1.00 0.00 C ATOM 476 ND1 HIS A 30 20.814 12.567 29.829 1.00 0.00 N ATOM 477 CD2 HIS A 30 19.558 14.375 29.813 1.00 0.00 C ATOM 478 CE1 HIS A 30 20.668 12.995 28.562 1.00 0.00 C ATOM 479 NE2 HIS A 30 19.912 14.095 28.496 1.00 0.00 N ATOM 0 H HIS A 30 20.439 13.241 34.573 1.00 0.00 H new ATOM 0 HA HIS A 30 22.165 12.924 32.381 1.00 0.00 H new ATOM 0 HB2 HIS A 30 19.795 12.231 32.388 1.00 0.00 H new ATOM 0 HB3 HIS A 30 19.276 13.895 32.564 1.00 0.00 H new ATOM 0 HD2 HIS A 30 18.942 15.204 30.129 1.00 0.00 H new ATOM 0 HE1 HIS A 30 21.108 12.509 27.704 1.00 0.00 H new ATOM 0 HE2 HIS A 30 19.650 14.617 27.660 1.00 0.00 H new ATOM 487 N ASP A 31 21.166 16.026 32.953 1.00 0.00 N ATOM 488 CA ASP A 31 21.461 17.418 32.638 1.00 0.00 C ATOM 489 C ASP A 31 22.917 17.741 32.961 1.00 0.00 C ATOM 490 O ASP A 31 23.584 18.456 32.214 1.00 0.00 O ATOM 491 CB ASP A 31 20.541 18.341 33.439 1.00 0.00 C ATOM 492 CG ASP A 31 19.118 18.257 32.898 1.00 0.00 C ATOM 493 OD1 ASP A 31 18.947 17.715 31.819 1.00 0.00 O ATOM 494 OD2 ASP A 31 18.220 18.735 33.572 1.00 0.00 O1- ATOM 0 H ASP A 31 20.447 15.893 33.665 1.00 0.00 H new ATOM 0 HA ASP A 31 21.293 17.575 31.573 1.00 0.00 H new ATOM 0 HB2 ASP A 31 20.556 18.058 34.492 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.901 19.368 33.380 1.00 0.00 H new ATOM 499 N LYS A 32 23.403 17.208 34.077 1.00 0.00 N ATOM 500 CA LYS A 32 24.782 17.446 34.487 1.00 0.00 C ATOM 501 C LYS A 32 25.747 16.915 33.430 1.00 0.00 C ATOM 502 O LYS A 32 26.712 17.585 33.066 1.00 0.00 O ATOM 503 CB LYS A 32 25.051 16.759 35.830 1.00 0.00 C ATOM 504 CG LYS A 32 26.487 17.042 36.283 1.00 0.00 C ATOM 505 CD LYS A 32 26.728 16.398 37.648 1.00 0.00 C ATOM 506 CE LYS A 32 28.154 16.699 38.112 1.00 0.00 C ATOM 507 NZ LYS A 32 29.126 16.078 37.168 1.00 0.00 N1+ ATOM 0 H LYS A 32 22.868 16.613 34.709 1.00 0.00 H new ATOM 0 HA LYS A 32 24.936 18.520 34.596 1.00 0.00 H new ATOM 0 HB2 LYS A 32 24.346 17.119 36.580 1.00 0.00 H new ATOM 0 HB3 LYS A 32 24.895 15.684 35.736 1.00 0.00 H new ATOM 0 HG2 LYS A 32 27.194 16.648 35.553 1.00 0.00 H new ATOM 0 HG3 LYS A 32 26.656 18.117 36.342 1.00 0.00 H new ATOM 0 HD2 LYS A 32 26.010 16.780 38.374 1.00 0.00 H new ATOM 0 HD3 LYS A 32 26.575 15.321 37.585 1.00 0.00 H new ATOM 0 HE2 LYS A 32 28.313 17.776 38.158 1.00 0.00 H new ATOM 0 HE3 LYS A 32 28.310 16.311 39.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 30.059 16.012 37.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 28.799 15.125 36.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 29.200 16.663 36.311 1.00 0.00 H new ATOM 521 N ARG A 33 25.474 15.711 32.939 1.00 0.00 N ATOM 522 CA ARG A 33 26.323 15.104 31.918 1.00 0.00 C ATOM 523 C ARG A 33 26.289 15.925 30.634 1.00 0.00 C ATOM 524 O ARG A 33 27.309 16.097 29.967 1.00 0.00 O ATOM 525 CB ARG A 33 25.873 13.668 31.627 1.00 0.00 C ATOM 526 CG ARG A 33 26.232 12.759 32.808 1.00 0.00 C ATOM 527 CD ARG A 33 25.650 11.364 32.576 1.00 0.00 C ATOM 528 NE ARG A 33 24.195 11.399 32.660 1.00 0.00 N ATOM 529 CZ ARG A 33 23.467 10.311 32.425 1.00 0.00 C ATOM 530 NH1 ARG A 33 22.166 10.362 32.513 1.00 0.00 N1+ ATOM 531 NH2 ARG A 33 24.056 9.191 32.106 1.00 0.00 N ATOM 0 H ARG A 33 24.680 15.140 33.227 1.00 0.00 H new ATOM 0 HA ARG A 33 27.345 15.084 32.297 1.00 0.00 H new ATOM 0 HB2 ARG A 33 24.797 13.643 31.452 1.00 0.00 H new ATOM 0 HB3 ARG A 33 26.353 13.304 30.718 1.00 0.00 H new ATOM 0 HG2 ARG A 33 27.315 12.699 32.918 1.00 0.00 H new ATOM 0 HG3 ARG A 33 25.840 13.178 33.735 1.00 0.00 H new ATOM 0 HD2 ARG A 33 25.955 10.994 31.597 1.00 0.00 H new ATOM 0 HD3 ARG A 33 26.047 10.670 33.317 1.00 0.00 H new ATOM 0 HE ARG A 33 23.728 12.272 32.903 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.706 11.237 32.762 1.00 0.00 H new ATOM 0 HH12 ARG A 33 21.609 9.527 32.332 1.00 0.00 H new ATOM 0 HH21 ARG A 33 25.073 9.151 32.037 1.00 0.00 H new ATOM 0 HH22 ARG A 33 23.499 8.356 31.925 1.00 0.00 H new ATOM 545 N GLU A 34 25.108 16.431 30.291 1.00 0.00 N ATOM 546 CA GLU A 34 24.952 17.233 29.084 1.00 0.00 C ATOM 547 C GLU A 34 25.823 18.484 29.165 1.00 0.00 C ATOM 548 O GLU A 34 26.486 18.853 28.194 1.00 0.00 O ATOM 549 CB GLU A 34 23.478 17.630 28.915 1.00 0.00 C ATOM 550 CG GLU A 34 23.291 18.464 27.640 1.00 0.00 C ATOM 551 CD GLU A 34 23.672 17.644 26.412 1.00 0.00 C ATOM 552 OE1 GLU A 34 23.673 16.427 26.512 1.00 0.00 O ATOM 553 OE2 GLU A 34 23.958 18.244 25.390 1.00 0.00 O1- ATOM 0 H GLU A 34 24.251 16.301 30.828 1.00 0.00 H new ATOM 0 HA GLU A 34 25.267 16.644 28.223 1.00 0.00 H new ATOM 0 HB2 GLU A 34 22.857 16.735 28.866 1.00 0.00 H new ATOM 0 HB3 GLU A 34 23.147 18.201 29.782 1.00 0.00 H new ATOM 0 HG2 GLU A 34 22.254 18.791 27.560 1.00 0.00 H new ATOM 0 HG3 GLU A 34 23.906 19.362 27.691 1.00 0.00 H new ATOM 560 N ALA A 35 25.816 19.131 30.325 1.00 0.00 N ATOM 561 CA ALA A 35 26.611 20.338 30.519 1.00 0.00 C ATOM 562 C ALA A 35 28.098 20.038 30.352 1.00 0.00 C ATOM 563 O ALA A 35 28.838 20.831 29.771 1.00 0.00 O ATOM 564 CB ALA A 35 26.358 20.909 31.916 1.00 0.00 C ATOM 0 H ALA A 35 25.273 18.843 31.139 1.00 0.00 H new ATOM 0 HA ALA A 35 26.315 21.069 29.766 1.00 0.00 H new ATOM 0 HB1 ALA A 35 26.955 21.810 32.054 1.00 0.00 H new ATOM 0 HB2 ALA A 35 25.301 21.154 32.023 1.00 0.00 H new ATOM 0 HB3 ALA A 35 26.637 20.170 32.667 1.00 0.00 H new ATOM 570 N GLU A 36 28.528 18.893 30.872 1.00 0.00 N ATOM 571 CA GLU A 36 29.931 18.501 30.780 1.00 0.00 C ATOM 572 C GLU A 36 30.349 18.309 29.325 1.00 0.00 C ATOM 573 O GLU A 36 31.454 18.686 28.935 1.00 0.00 O ATOM 574 CB GLU A 36 30.160 17.201 31.554 1.00 0.00 C ATOM 575 CG GLU A 36 29.977 17.456 33.052 1.00 0.00 C ATOM 576 CD GLU A 36 31.115 18.323 33.577 1.00 0.00 C ATOM 577 OE1 GLU A 36 32.120 18.427 32.894 1.00 0.00 O ATOM 578 OE2 GLU A 36 30.965 18.873 34.656 1.00 0.00 O1- ATOM 0 H GLU A 36 27.931 18.224 31.358 1.00 0.00 H new ATOM 0 HA GLU A 36 30.537 19.297 31.213 1.00 0.00 H new ATOM 0 HB2 GLU A 36 29.460 16.437 31.217 1.00 0.00 H new ATOM 0 HB3 GLU A 36 31.163 16.822 31.359 1.00 0.00 H new ATOM 0 HG2 GLU A 36 29.021 17.949 33.231 1.00 0.00 H new ATOM 0 HG3 GLU A 36 29.953 16.508 33.590 1.00 0.00 H new ATOM 585 N ARG A 37 29.465 17.717 28.528 1.00 0.00 N ATOM 586 CA ARG A 37 29.767 17.481 27.120 1.00 0.00 C ATOM 587 C ARG A 37 30.015 18.799 26.395 1.00 0.00 C ATOM 588 O ARG A 37 30.953 18.917 25.606 1.00 0.00 O ATOM 589 CB ARG A 37 28.612 16.734 26.451 1.00 0.00 C ATOM 590 CG ARG A 37 28.970 16.446 24.990 1.00 0.00 C ATOM 591 CD ARG A 37 27.904 15.546 24.364 1.00 0.00 C ATOM 592 NE ARG A 37 26.620 16.236 24.313 1.00 0.00 N ATOM 593 CZ ARG A 37 25.516 15.603 23.930 1.00 0.00 C ATOM 594 NH1 ARG A 37 24.380 16.243 23.880 1.00 0.00 N1+ ATOM 595 NH2 ARG A 37 25.568 14.341 23.602 1.00 0.00 N ATOM 0 H ARG A 37 28.545 17.395 28.828 1.00 0.00 H new ATOM 0 HA ARG A 37 30.670 16.873 27.061 1.00 0.00 H new ATOM 0 HB2 ARG A 37 28.414 15.801 26.979 1.00 0.00 H new ATOM 0 HB3 ARG A 37 27.701 17.330 26.503 1.00 0.00 H new ATOM 0 HG2 ARG A 37 29.043 17.380 24.433 1.00 0.00 H new ATOM 0 HG3 ARG A 37 29.946 15.963 24.933 1.00 0.00 H new ATOM 0 HD2 ARG A 37 28.209 15.257 23.358 1.00 0.00 H new ATOM 0 HD3 ARG A 37 27.808 14.628 24.944 1.00 0.00 H new ATOM 0 HE ARG A 37 26.569 17.220 24.576 1.00 0.00 H new ATOM 0 HH11 ARG A 37 24.339 17.230 24.135 1.00 0.00 H new ATOM 0 HH12 ARG A 37 23.533 15.757 23.586 1.00 0.00 H new ATOM 0 HH21 ARG A 37 26.456 13.840 23.640 1.00 0.00 H new ATOM 0 HH22 ARG A 37 24.721 13.855 23.308 1.00 0.00 H new ATOM 609 N LYS A 38 29.170 19.788 26.665 1.00 0.00 N ATOM 610 CA LYS A 38 29.310 21.093 26.031 1.00 0.00 C ATOM 611 C LYS A 38 30.640 21.735 26.410 1.00 0.00 C ATOM 612 O LYS A 38 31.299 22.359 25.578 1.00 0.00 O ATOM 613 CB LYS A 38 28.160 22.008 26.457 1.00 0.00 C ATOM 614 CG LYS A 38 26.855 21.513 25.832 1.00 0.00 C ATOM 615 CD LYS A 38 25.704 22.427 26.259 1.00 0.00 C ATOM 616 CE LYS A 38 24.399 21.938 25.627 1.00 0.00 C ATOM 617 NZ LYS A 38 23.279 22.825 26.051 1.00 0.00 N1+ ATOM 0 H LYS A 38 28.387 19.712 27.314 1.00 0.00 H new ATOM 0 HA LYS A 38 29.282 20.954 24.950 1.00 0.00 H new ATOM 0 HB2 LYS A 38 28.074 22.019 27.544 1.00 0.00 H new ATOM 0 HB3 LYS A 38 28.361 23.032 26.142 1.00 0.00 H new ATOM 0 HG2 LYS A 38 26.941 21.503 24.745 1.00 0.00 H new ATOM 0 HG3 LYS A 38 26.655 20.488 26.146 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.614 22.432 27.345 1.00 0.00 H new ATOM 0 HD3 LYS A 38 25.907 23.453 25.951 1.00 0.00 H new ATOM 0 HE2 LYS A 38 24.486 21.938 24.540 1.00 0.00 H new ATOM 0 HE3 LYS A 38 24.198 20.910 25.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 22.392 22.493 25.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 23.192 22.803 27.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 23.471 23.799 25.740 1.00 0.00 H new ATOM 631 N ALA A 39 31.030 21.579 27.671 1.00 0.00 N ATOM 632 CA ALA A 39 32.285 22.149 28.149 1.00 0.00 C ATOM 633 C ALA A 39 33.467 21.560 27.387 1.00 0.00 C ATOM 634 O ALA A 39 34.411 22.269 27.043 1.00 0.00 O ATOM 635 CB ALA A 39 32.449 21.871 29.644 1.00 0.00 C ATOM 0 H ALA A 39 30.500 21.067 28.376 1.00 0.00 H new ATOM 0 HA ALA A 39 32.260 23.226 27.980 1.00 0.00 H new ATOM 0 HB1 ALA A 39 33.388 22.300 29.993 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.620 22.320 30.191 1.00 0.00 H new ATOM 0 HB3 ALA A 39 32.456 20.795 29.815 1.00 0.00 H new ATOM 641 N LEU A 40 33.409 20.256 27.129 1.00 0.00 N ATOM 642 CA LEU A 40 34.482 19.582 26.407 1.00 0.00 C ATOM 643 C LEU A 40 34.610 20.144 24.994 1.00 0.00 C ATOM 644 O LEU A 40 35.716 20.322 24.484 1.00 0.00 O ATOM 645 CB LEU A 40 34.200 18.079 26.335 1.00 0.00 C ATOM 646 CG LEU A 40 34.321 17.447 27.731 1.00 0.00 C ATOM 647 CD1 LEU A 40 33.816 16.000 27.668 1.00 0.00 C ATOM 648 CD2 LEU A 40 35.786 17.464 28.211 1.00 0.00 C ATOM 0 H LEU A 40 32.637 19.650 27.407 1.00 0.00 H new ATOM 0 HA LEU A 40 35.417 19.751 26.941 1.00 0.00 H new ATOM 0 HB2 LEU A 40 33.200 17.908 25.936 1.00 0.00 H new ATOM 0 HB3 LEU A 40 34.902 17.603 25.650 1.00 0.00 H new ATOM 0 HG LEU A 40 33.722 18.023 28.436 1.00 0.00 H new ATOM 0 HD11 LEU A 40 33.898 15.543 28.654 1.00 0.00 H new ATOM 0 HD12 LEU A 40 32.774 15.992 27.350 1.00 0.00 H new ATOM 0 HD13 LEU A 40 34.417 15.435 26.955 1.00 0.00 H new ATOM 0 HD21 LEU A 40 35.850 17.012 29.201 1.00 0.00 H new ATOM 0 HD22 LEU A 40 36.404 16.899 27.514 1.00 0.00 H new ATOM 0 HD23 LEU A 40 36.141 18.493 28.258 1.00 0.00 H new ATOM 660 N GLU A 41 33.470 20.417 24.367 1.00 0.00 N ATOM 661 CA GLU A 41 33.466 20.957 23.012 1.00 0.00 C ATOM 662 C GLU A 41 34.145 22.323 22.976 1.00 0.00 C ATOM 663 O GLU A 41 34.879 22.637 22.038 1.00 0.00 O ATOM 664 CB GLU A 41 32.029 21.085 22.507 1.00 0.00 C ATOM 665 CG GLU A 41 31.447 19.692 22.261 1.00 0.00 C ATOM 666 CD GLU A 41 29.963 19.798 21.922 1.00 0.00 C ATOM 667 OE1 GLU A 41 29.409 20.869 22.108 1.00 0.00 O ATOM 668 OE2 GLU A 41 29.404 18.807 21.483 1.00 0.00 O1- ATOM 0 H GLU A 41 32.544 20.275 24.771 1.00 0.00 H new ATOM 0 HA GLU A 41 34.019 20.274 22.367 1.00 0.00 H new ATOM 0 HB2 GLU A 41 31.422 21.620 23.237 1.00 0.00 H new ATOM 0 HB3 GLU A 41 32.007 21.668 21.586 1.00 0.00 H new ATOM 0 HG2 GLU A 41 31.981 19.205 21.445 1.00 0.00 H new ATOM 0 HG3 GLU A 41 31.583 19.071 23.146 1.00 0.00 H new ATOM 675 N ASP A 42 33.893 23.132 23.999 1.00 0.00 N ATOM 676 CA ASP A 42 34.483 24.464 24.073 1.00 0.00 C ATOM 677 C ASP A 42 35.943 24.378 24.527 1.00 0.00 C ATOM 678 O ASP A 42 36.528 23.296 24.540 1.00 0.00 O ATOM 679 CB ASP A 42 33.687 25.336 25.050 1.00 0.00 C ATOM 680 CG ASP A 42 33.994 26.813 24.812 1.00 0.00 C ATOM 681 OD1 ASP A 42 34.717 27.106 23.874 1.00 0.00 O ATOM 682 OD2 ASP A 42 33.501 27.629 25.572 1.00 0.00 O1- ATOM 0 H ASP A 42 33.288 22.891 24.784 1.00 0.00 H new ATOM 0 HA ASP A 42 34.450 24.914 23.081 1.00 0.00 H new ATOM 0 HB2 ASP A 42 32.620 25.154 24.924 1.00 0.00 H new ATOM 0 HB3 ASP A 42 33.937 25.066 26.076 1.00 0.00 H new ATOM 687 N LYS A 43 36.527 25.518 24.898 1.00 0.00 N ATOM 688 CA LYS A 43 37.915 25.541 25.343 1.00 0.00 C ATOM 689 C LYS A 43 38.823 24.905 24.296 1.00 0.00 C ATOM 690 O LYS A 43 39.764 24.183 24.630 1.00 0.00 O ATOM 691 CB LYS A 43 38.051 24.785 26.667 1.00 0.00 C ATOM 692 CG LYS A 43 37.220 25.486 27.743 1.00 0.00 C ATOM 693 CD LYS A 43 37.364 24.738 29.069 1.00 0.00 C ATOM 694 CE LYS A 43 36.495 25.411 30.133 1.00 0.00 C ATOM 695 NZ LYS A 43 36.972 26.805 30.357 1.00 0.00 N1+ ATOM 0 H LYS A 43 36.064 26.427 24.899 1.00 0.00 H new ATOM 0 HA LYS A 43 38.215 26.579 25.485 1.00 0.00 H new ATOM 0 HB2 LYS A 43 37.715 23.755 26.546 1.00 0.00 H new ATOM 0 HB3 LYS A 43 39.097 24.745 26.969 1.00 0.00 H new ATOM 0 HG2 LYS A 43 37.551 26.518 27.858 1.00 0.00 H new ATOM 0 HG3 LYS A 43 36.172 25.519 27.444 1.00 0.00 H new ATOM 0 HD2 LYS A 43 37.065 23.697 28.946 1.00 0.00 H new ATOM 0 HD3 LYS A 43 38.407 24.735 29.385 1.00 0.00 H new ATOM 0 HE2 LYS A 43 35.453 25.419 29.814 1.00 0.00 H new ATOM 0 HE3 LYS A 43 36.539 24.846 31.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 36.589 27.163 31.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 38.011 26.814 30.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 36.649 27.412 29.577 1.00 0.00 H new ATOM 709 N LEU A 44 38.536 25.179 23.025 1.00 0.00 N ATOM 710 CA LEU A 44 39.329 24.635 21.922 1.00 0.00 C ATOM 711 C LEU A 44 39.450 25.666 20.804 1.00 0.00 C ATOM 712 O LEU A 44 40.532 25.877 20.255 1.00 0.00 O ATOM 713 CB LEU A 44 38.667 23.356 21.391 1.00 0.00 C ATOM 714 CG LEU A 44 39.472 22.772 20.219 1.00 0.00 C ATOM 715 CD1 LEU A 44 40.897 22.417 20.677 1.00 0.00 C ATOM 716 CD2 LEU A 44 38.765 21.510 19.714 1.00 0.00 C ATOM 0 H LEU A 44 37.761 25.774 22.732 1.00 0.00 H new ATOM 0 HA LEU A 44 40.328 24.395 22.285 1.00 0.00 H new ATOM 0 HB2 LEU A 44 38.594 22.619 22.191 1.00 0.00 H new ATOM 0 HB3 LEU A 44 37.650 23.575 21.066 1.00 0.00 H new ATOM 0 HG LEU A 44 39.536 23.510 19.420 1.00 0.00 H new ATOM 0 HD11 LEU A 44 41.457 22.004 19.838 1.00 0.00 H new ATOM 0 HD12 LEU A 44 41.397 23.315 21.040 1.00 0.00 H new ATOM 0 HD13 LEU A 44 40.849 21.680 21.478 1.00 0.00 H new ATOM 0 HD21 LEU A 44 39.327 21.086 18.882 1.00 0.00 H new ATOM 0 HD22 LEU A 44 38.705 20.779 20.521 1.00 0.00 H new ATOM 0 HD23 LEU A 44 37.759 21.765 19.380 1.00 0.00 H new ATOM 728 N ALA A 45 38.333 26.306 20.474 1.00 0.00 N ATOM 729 CA ALA A 45 38.322 27.313 19.419 1.00 0.00 C ATOM 730 C ALA A 45 39.244 28.476 19.777 1.00 0.00 C ATOM 731 O ALA A 45 39.949 29.008 18.919 1.00 0.00 O ATOM 732 CB ALA A 45 36.900 27.834 19.208 1.00 0.00 C ATOM 0 H ALA A 45 37.429 26.147 20.919 1.00 0.00 H new ATOM 0 HA ALA A 45 38.679 26.851 18.499 1.00 0.00 H new ATOM 0 HB1 ALA A 45 36.901 28.586 18.418 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.249 27.008 18.922 1.00 0.00 H new ATOM 0 HB3 ALA A 45 36.535 28.280 20.133 1.00 0.00 H new ATOM 738 N ASP A 46 39.230 28.866 21.049 1.00 0.00 N ATOM 739 CA ASP A 46 40.066 29.971 21.513 1.00 0.00 C ATOM 740 C ASP A 46 41.460 29.473 21.884 1.00 0.00 C ATOM 741 O ASP A 46 41.645 28.826 22.916 1.00 0.00 O ATOM 742 CB ASP A 46 39.420 30.631 22.733 1.00 0.00 C ATOM 743 CG ASP A 46 40.267 31.811 23.196 1.00 0.00 C ATOM 744 OD1 ASP A 46 41.346 31.988 22.653 1.00 0.00 O ATOM 745 OD2 ASP A 46 39.827 32.519 24.086 1.00 0.00 O1- ATOM 0 H ASP A 46 38.653 28.437 21.773 1.00 0.00 H new ATOM 0 HA ASP A 46 40.156 30.698 20.706 1.00 0.00 H new ATOM 0 HB2 ASP A 46 38.414 30.970 22.484 1.00 0.00 H new ATOM 0 HB3 ASP A 46 39.321 29.905 23.540 1.00 0.00 H new ATOM 750 N LYS A 47 42.436 29.779 21.036 1.00 0.00 N ATOM 751 CA LYS A 47 43.811 29.358 21.284 1.00 0.00 C ATOM 752 C LYS A 47 44.435 30.185 22.403 1.00 0.00 C ATOM 753 O LYS A 47 44.177 31.382 22.522 1.00 0.00 O ATOM 754 CB LYS A 47 44.642 29.514 20.008 1.00 0.00 C ATOM 755 CG LYS A 47 44.132 28.542 18.944 1.00 0.00 C ATOM 756 CD LYS A 47 44.966 28.697 17.670 1.00 0.00 C ATOM 757 CE LYS A 47 44.435 27.749 16.592 1.00 0.00 C ATOM 758 NZ LYS A 47 44.590 26.340 17.050 1.00 0.00 N1+ ATOM 0 H LYS A 47 42.303 30.313 20.177 1.00 0.00 H new ATOM 0 HA LYS A 47 43.800 28.311 21.587 1.00 0.00 H new ATOM 0 HB2 LYS A 47 44.576 30.538 19.641 1.00 0.00 H new ATOM 0 HB3 LYS A 47 45.693 29.319 20.220 1.00 0.00 H new ATOM 0 HG2 LYS A 47 44.196 27.518 19.311 1.00 0.00 H new ATOM 0 HG3 LYS A 47 43.081 28.739 18.730 1.00 0.00 H new ATOM 0 HD2 LYS A 47 44.921 29.727 17.317 1.00 0.00 H new ATOM 0 HD3 LYS A 47 46.013 28.477 17.879 1.00 0.00 H new ATOM 0 HE2 LYS A 47 43.386 27.963 16.389 1.00 0.00 H new ATOM 0 HE3 LYS A 47 44.978 27.901 15.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 44.541 25.701 16.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 45.510 26.228 17.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 43.827 26.106 17.717 1.00 0.00 H new ATOM 772 N GLN A 48 45.260 29.538 23.221 1.00 0.00 N ATOM 773 CA GLN A 48 45.923 30.219 24.332 1.00 0.00 C ATOM 774 C GLN A 48 47.205 30.898 23.854 1.00 0.00 C ATOM 775 O GLN A 48 47.733 30.566 22.792 1.00 0.00 O ATOM 776 CB GLN A 48 46.249 29.212 25.438 1.00 0.00 C ATOM 777 CG GLN A 48 44.951 28.730 26.088 1.00 0.00 C ATOM 778 CD GLN A 48 45.244 27.579 27.046 1.00 0.00 C ATOM 779 OE1 GLN A 48 46.195 26.828 26.842 1.00 0.00 O ATOM 780 NE2 GLN A 48 44.477 27.399 28.086 1.00 0.00 N ATOM 0 H GLN A 48 45.486 28.547 23.137 1.00 0.00 H new ATOM 0 HA GLN A 48 45.251 30.981 24.725 1.00 0.00 H new ATOM 0 HB2 GLN A 48 46.797 28.366 25.024 1.00 0.00 H new ATOM 0 HB3 GLN A 48 46.893 29.673 26.186 1.00 0.00 H new ATOM 0 HG2 GLN A 48 44.478 29.551 26.627 1.00 0.00 H new ATOM 0 HG3 GLN A 48 44.249 28.405 25.320 1.00 0.00 H new ATOM 0 HE21 GLN A 48 43.688 28.024 28.252 1.00 0.00 H new ATOM 0 HE22 GLN A 48 44.666 26.633 28.733 1.00 0.00 H new ATOM 789 N GLU A 49 47.695 31.852 24.642 1.00 0.00 N ATOM 790 CA GLU A 49 48.914 32.577 24.287 1.00 0.00 C ATOM 791 C GLU A 49 48.768 33.242 22.921 1.00 0.00 C ATOM 792 O GLU A 49 49.556 32.989 22.011 1.00 0.00 O ATOM 793 CB GLU A 49 50.129 31.638 24.267 1.00 0.00 C ATOM 794 CG GLU A 49 50.407 31.098 25.678 1.00 0.00 C ATOM 795 CD GLU A 49 49.470 29.940 26.012 1.00 0.00 C ATOM 796 OE1 GLU A 49 48.909 29.368 25.093 1.00 0.00 O ATOM 797 OE2 GLU A 49 49.327 29.640 27.185 1.00 0.00 O1- ATOM 0 H GLU A 49 47.271 32.140 25.524 1.00 0.00 H new ATOM 0 HA GLU A 49 49.072 33.343 25.046 1.00 0.00 H new ATOM 0 HB2 GLU A 49 49.946 30.810 23.582 1.00 0.00 H new ATOM 0 HB3 GLU A 49 51.004 32.172 23.895 1.00 0.00 H new ATOM 0 HG2 GLU A 49 51.443 30.765 25.747 1.00 0.00 H new ATOM 0 HG3 GLU A 49 50.280 31.896 26.409 1.00 0.00 H new ATOM 804 N HIS A 50 47.754 34.092 22.785 1.00 0.00 N ATOM 805 CA HIS A 50 47.517 34.785 21.525 1.00 0.00 C ATOM 806 C HIS A 50 48.707 35.673 21.172 1.00 0.00 C ATOM 807 O HIS A 50 49.105 35.759 20.011 1.00 0.00 O ATOM 808 CB HIS A 50 46.261 35.648 21.637 1.00 0.00 C ATOM 809 CG HIS A 50 45.044 34.768 21.717 1.00 0.00 C ATOM 810 ND1 HIS A 50 44.549 34.089 20.615 1.00 0.00 N ATOM 811 CD2 HIS A 50 44.209 34.453 22.760 1.00 0.00 C ATOM 812 CE1 HIS A 50 43.461 33.406 21.017 1.00 0.00 C ATOM 813 NE2 HIS A 50 43.209 33.592 22.314 1.00 0.00 N ATOM 0 H HIS A 50 47.089 34.315 23.526 1.00 0.00 H new ATOM 0 HA HIS A 50 47.383 34.040 20.741 1.00 0.00 H new ATOM 0 HB2 HIS A 50 46.322 36.282 22.522 1.00 0.00 H new ATOM 0 HB3 HIS A 50 46.186 36.311 20.775 1.00 0.00 H new ATOM 0 HD2 HIS A 50 44.312 34.817 23.772 1.00 0.00 H new ATOM 0 HE1 HIS A 50 42.864 32.783 20.368 1.00 0.00 H new ATOM 0 HE2 HIS A 50 42.448 33.190 22.861 1.00 0.00 H new ATOM 821 N LEU A 51 49.270 36.332 22.181 1.00 0.00 N ATOM 822 CA LEU A 51 50.414 37.213 21.968 1.00 0.00 C ATOM 823 C LEU A 51 51.703 36.383 21.902 1.00 0.00 C ATOM 824 O LEU A 51 51.651 35.155 21.826 1.00 0.00 O ATOM 825 CB LEU A 51 50.504 38.239 23.115 1.00 0.00 C ATOM 826 CG LEU A 51 49.606 39.458 22.826 1.00 0.00 C ATOM 827 CD1 LEU A 51 50.174 40.299 21.663 1.00 0.00 C ATOM 828 CD2 LEU A 51 48.188 38.978 22.479 1.00 0.00 C ATOM 0 H LEU A 51 48.955 36.273 23.149 1.00 0.00 H new ATOM 0 HA LEU A 51 50.287 37.746 21.026 1.00 0.00 H new ATOM 0 HB2 LEU A 51 50.201 37.772 24.052 1.00 0.00 H new ATOM 0 HB3 LEU A 51 51.537 38.563 23.240 1.00 0.00 H new ATOM 0 HG LEU A 51 49.575 40.086 23.716 1.00 0.00 H new ATOM 0 HD11 LEU A 51 49.522 41.153 21.479 1.00 0.00 H new ATOM 0 HD12 LEU A 51 51.171 40.653 21.923 1.00 0.00 H new ATOM 0 HD13 LEU A 51 50.230 39.685 20.764 1.00 0.00 H new ATOM 0 HD21 LEU A 51 47.552 39.839 22.274 1.00 0.00 H new ATOM 0 HD22 LEU A 51 48.226 38.338 21.598 1.00 0.00 H new ATOM 0 HD23 LEU A 51 47.779 38.416 23.318 1.00 0.00 H new ATOM 840 N ASP A 52 52.857 37.053 21.930 1.00 0.00 N ATOM 841 CA ASP A 52 54.134 36.349 21.872 1.00 0.00 C ATOM 842 C ASP A 52 54.291 35.423 23.074 1.00 0.00 C ATOM 843 O ASP A 52 54.794 34.306 22.948 1.00 0.00 O ATOM 844 CB ASP A 52 55.284 37.356 21.847 1.00 0.00 C ATOM 845 CG ASP A 52 55.309 38.088 20.511 1.00 0.00 C ATOM 846 OD1 ASP A 52 54.682 39.131 20.417 1.00 0.00 O ATOM 847 OD2 ASP A 52 55.952 37.595 19.599 1.00 0.00 O1- ATOM 0 H ASP A 52 52.931 38.068 21.992 1.00 0.00 H new ATOM 0 HA ASP A 52 54.156 35.750 20.962 1.00 0.00 H new ATOM 0 HB2 ASP A 52 55.169 38.072 22.661 1.00 0.00 H new ATOM 0 HB3 ASP A 52 56.232 36.842 22.007 1.00 0.00 H new ATOM 852 N GLY A 53 53.860 35.894 24.240 1.00 0.00 N ATOM 853 CA GLY A 53 53.959 35.100 25.460 1.00 0.00 C ATOM 854 C GLY A 53 55.357 35.201 26.061 1.00 0.00 C ATOM 855 O GLY A 53 55.656 34.566 27.071 1.00 0.00 O ATOM 0 H GLY A 53 53.441 36.816 24.366 1.00 0.00 H new ATOM 0 HA2 GLY A 53 53.221 35.445 26.184 1.00 0.00 H new ATOM 0 HA3 GLY A 53 53.727 34.058 25.241 1.00 0.00 H new ATOM 859 N ALA A 54 56.209 36.003 25.430 1.00 0.00 N ATOM 860 CA ALA A 54 57.575 36.179 25.909 1.00 0.00 C ATOM 861 C ALA A 54 57.578 36.771 27.315 1.00 0.00 C ATOM 862 O ALA A 54 58.381 36.380 28.162 1.00 0.00 O ATOM 863 CB ALA A 54 58.345 37.101 24.963 1.00 0.00 C ATOM 0 H ALA A 54 55.980 36.538 24.592 1.00 0.00 H new ATOM 0 HA ALA A 54 58.059 35.203 25.938 1.00 0.00 H new ATOM 0 HB1 ALA A 54 59.364 37.227 25.328 1.00 0.00 H new ATOM 0 HB2 ALA A 54 58.368 36.662 23.966 1.00 0.00 H new ATOM 0 HB3 ALA A 54 57.852 38.072 24.920 1.00 0.00 H new ATOM 869 N LEU A 55 56.678 37.720 27.554 1.00 0.00 N ATOM 870 CA LEU A 55 56.588 38.360 28.862 1.00 0.00 C ATOM 871 C LEU A 55 56.260 37.328 29.936 1.00 0.00 C ATOM 872 O LEU A 55 56.858 37.326 31.012 1.00 0.00 O ATOM 873 CB LEU A 55 55.508 39.451 28.830 1.00 0.00 C ATOM 874 CG LEU A 55 55.384 40.132 30.202 1.00 0.00 C ATOM 875 CD1 LEU A 55 56.719 40.789 30.592 1.00 0.00 C ATOM 876 CD2 LEU A 55 54.289 41.202 30.126 1.00 0.00 C ATOM 0 H LEU A 55 56.006 38.060 26.866 1.00 0.00 H new ATOM 0 HA LEU A 55 57.549 38.814 29.101 1.00 0.00 H new ATOM 0 HB2 LEU A 55 55.756 40.193 28.071 1.00 0.00 H new ATOM 0 HB3 LEU A 55 54.550 39.014 28.547 1.00 0.00 H new ATOM 0 HG LEU A 55 55.128 39.387 30.955 1.00 0.00 H new ATOM 0 HD11 LEU A 55 56.618 41.268 31.566 1.00 0.00 H new ATOM 0 HD12 LEU A 55 57.498 40.028 30.641 1.00 0.00 H new ATOM 0 HD13 LEU A 55 56.988 41.537 29.846 1.00 0.00 H new ATOM 0 HD21 LEU A 55 54.192 41.692 31.095 1.00 0.00 H new ATOM 0 HD22 LEU A 55 54.554 41.941 29.370 1.00 0.00 H new ATOM 0 HD23 LEU A 55 53.341 40.734 29.859 1.00 0.00 H new ATOM 888 N ARG A 56 55.306 36.452 29.639 1.00 0.00 N ATOM 889 CA ARG A 56 54.909 35.420 30.589 1.00 0.00 C ATOM 890 C ARG A 56 56.054 34.440 30.823 1.00 0.00 C ATOM 891 O ARG A 56 56.668 33.950 29.876 1.00 0.00 O ATOM 892 CB ARG A 56 53.687 34.665 30.061 1.00 0.00 C ATOM 893 CG ARG A 56 53.240 33.628 31.093 1.00 0.00 C ATOM 894 CD ARG A 56 51.932 32.982 30.635 1.00 0.00 C ATOM 895 NE ARG A 56 50.853 33.965 30.642 1.00 0.00 N ATOM 896 CZ ARG A 56 49.638 33.654 30.205 1.00 0.00 C ATOM 897 NH1 ARG A 56 48.690 34.551 30.220 1.00 0.00 N1+ ATOM 898 NH2 ARG A 56 49.392 32.453 29.760 1.00 0.00 N ATOM 0 H ARG A 56 54.797 36.436 28.755 1.00 0.00 H new ATOM 0 HA ARG A 56 54.657 35.900 31.535 1.00 0.00 H new ATOM 0 HB2 ARG A 56 52.875 35.363 29.857 1.00 0.00 H new ATOM 0 HB3 ARG A 56 53.929 34.174 29.118 1.00 0.00 H new ATOM 0 HG2 ARG A 56 54.010 32.867 31.216 1.00 0.00 H new ATOM 0 HG3 ARG A 56 53.103 34.102 32.065 1.00 0.00 H new ATOM 0 HD2 ARG A 56 52.053 32.571 29.633 1.00 0.00 H new ATOM 0 HD3 ARG A 56 51.680 32.150 31.292 1.00 0.00 H new ATOM 0 HE ARG A 56 51.035 34.907 30.988 1.00 0.00 H new ATOM 0 HH11 ARG A 56 48.882 35.491 30.567 1.00 0.00 H new ATOM 0 HH12 ARG A 56 47.757 34.312 29.884 1.00 0.00 H new ATOM 0 HH21 ARG A 56 50.133 31.752 29.748 1.00 0.00 H new ATOM 0 HH22 ARG A 56 48.459 32.215 29.425 1.00 0.00 H new ATOM 912 N TYR A 57 56.336 34.160 32.091 1.00 0.00 N ATOM 913 CA TYR A 57 57.410 33.236 32.438 1.00 0.00 C ATOM 914 C TYR A 57 58.707 33.642 31.742 1.00 0.00 C ATOM 915 O TYR A 57 58.915 33.211 30.620 1.00 0.00 O ATOM 916 CB TYR A 57 57.027 31.812 32.026 1.00 0.00 C ATOM 917 CG TYR A 57 58.187 30.878 32.285 1.00 0.00 C ATOM 918 CD1 TYR A 57 58.453 30.435 33.587 1.00 0.00 C ATOM 919 CD2 TYR A 57 58.999 30.455 31.224 1.00 0.00 C ATOM 920 CE1 TYR A 57 59.526 29.571 33.828 1.00 0.00 C ATOM 921 CE2 TYR A 57 60.073 29.591 31.466 1.00 0.00 C ATOM 922 CZ TYR A 57 60.338 29.149 32.768 1.00 0.00 C ATOM 923 OH TYR A 57 61.396 28.298 33.006 1.00 0.00 O ATOM 924 OXT TYR A 57 59.472 34.380 32.341 1.00 0.00 O ATOM 0 H TYR A 57 55.840 34.556 32.890 1.00 0.00 H new ATOM 0 HA TYR A 57 57.563 33.270 33.517 1.00 0.00 H new ATOM 0 HB2 TYR A 57 56.151 31.484 32.586 1.00 0.00 H new ATOM 0 HB3 TYR A 57 56.757 31.789 30.970 1.00 0.00 H new ATOM 0 HD1 TYR A 57 57.829 30.761 34.406 1.00 0.00 H new ATOM 0 HD2 TYR A 57 58.796 30.796 30.220 1.00 0.00 H new ATOM 0 HE1 TYR A 57 59.728 29.229 34.832 1.00 0.00 H new ATOM 0 HE2 TYR A 57 60.698 29.265 30.648 1.00 0.00 H new ATOM 0 HH TYR A 57 61.855 28.103 32.162 1.00 0.00 H new TER 934 TYR A 57