USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 523 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 59 ASN : amide:sc= 2.26 K(o=3.3,f=-7.9!) USER MOD Set 1.2: A 60 GLN : amide:sc= 1.09 K(o=3.3,f=-8.7) USER MOD Set 2.1: A 52 LYS NZ :NH3+ 158:sc= 2 (180deg=0.463) USER MOD Set 2.2: A 56 TYR OH : rot -3:sc= 2.06 USER MOD Set 3.1: A 20 LYS NZ :NH3+ -161:sc= 2.21 (180deg=1.08) USER MOD Set 3.2: A 27 TYR OH : rot 30:sc= 1.04 USER MOD Set 4.1: A 13 TYR OH : rot -35:sc= 1.55 USER MOD Set 4.2: A 23 TYR OH : rot -15:sc= 0.963 USER MOD Set 5.1: A 12 LYS NZ :NH3+ 168:sc= 2.3 (180deg=2.21) USER MOD Set 5.2: A 46 LYS NZ :NH3+ -150:sc= 1.23 (180deg=0.678) USER MOD Set 6.1: A 1 MET N :NH3+ -162:sc= 1.23 (180deg=0) USER MOD Set 6.2: A 3 GLN : amide:sc= 0.313 K(o=1.5,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 154:sc= 1.09 (180deg=0.942) USER MOD Single : A 5 LYS NZ :NH3+ -158:sc= 1.12 (180deg=0.378) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -153:sc= 0.173 (180deg=0.0366) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= 1.09 (180deg=1.08) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 1.16 K(o=1.2,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.443 -42.655 -5.190 1.00 1.17 N ATOM 2 CA MET A 1 22.199 -42.890 -4.457 1.00 1.17 C ATOM 3 C MET A 1 20.931 -42.496 -5.253 1.00 1.17 C ATOM 4 O MET A 1 20.006 -43.303 -5.360 1.00 1.17 O ATOM 5 CB MET A 1 22.304 -42.120 -3.114 1.00 1.17 C ATOM 6 CG MET A 1 21.135 -42.386 -2.137 1.00 1.17 C ATOM 7 SD MET A 1 21.307 -41.470 -0.583 1.00 1.17 S ATOM 8 CE MET A 1 22.075 -42.725 0.473 1.00 1.17 C ATOM 0 H1 MET A 1 24.212 -43.203 -4.754 1.00 1.17 H new ATOM 0 H2 MET A 1 23.324 -42.952 -6.180 1.00 1.17 H new ATOM 0 H3 MET A 1 23.678 -41.642 -5.159 1.00 1.17 H new ATOM 0 HA MET A 1 22.083 -43.959 -4.281 1.00 1.17 H new ATOM 0 HB2 MET A 1 23.240 -42.391 -2.625 1.00 1.17 H new ATOM 0 HB3 MET A 1 22.351 -41.051 -3.324 1.00 1.17 H new ATOM 0 HG2 MET A 1 20.196 -42.110 -2.616 1.00 1.17 H new ATOM 0 HG3 MET A 1 21.081 -43.453 -1.922 1.00 1.17 H new ATOM 0 HE1 MET A 1 22.244 -42.310 1.467 1.00 1.17 H new ATOM 0 HE2 MET A 1 21.416 -43.590 0.548 1.00 1.17 H new ATOM 0 HE3 MET A 1 23.028 -43.031 0.040 1.00 1.17 H new ATOM 20 N LEU A 2 20.904 -41.291 -5.841 1.00 0.69 N ATOM 21 CA LEU A 2 19.782 -40.752 -6.621 1.00 0.69 C ATOM 22 C LEU A 2 19.381 -41.624 -7.832 1.00 0.69 C ATOM 23 O LEU A 2 18.209 -41.973 -8.002 1.00 0.69 O ATOM 24 CB LEU A 2 20.138 -39.307 -7.092 1.00 0.69 C ATOM 25 CG LEU A 2 20.015 -38.165 -6.045 1.00 0.69 C ATOM 26 CD1 LEU A 2 21.002 -38.230 -4.865 1.00 0.69 C ATOM 27 CD2 LEU A 2 20.205 -36.816 -6.752 1.00 0.69 C ATOM 0 H LEU A 2 21.690 -40.643 -5.784 1.00 0.69 H new ATOM 0 HA LEU A 2 18.913 -40.745 -5.963 1.00 0.69 H new ATOM 0 HB2 LEU A 2 21.163 -39.316 -7.462 1.00 0.69 H new ATOM 0 HB3 LEU A 2 19.496 -39.060 -7.937 1.00 0.69 H new ATOM 0 HG LEU A 2 19.022 -38.285 -5.612 1.00 0.69 H new ATOM 0 HD11 LEU A 2 20.827 -37.386 -4.198 1.00 0.69 H new ATOM 0 HD12 LEU A 2 20.855 -39.162 -4.318 1.00 0.69 H new ATOM 0 HD13 LEU A 2 22.024 -38.188 -5.243 1.00 0.69 H new ATOM 0 HD21 LEU A 2 20.120 -36.009 -6.024 1.00 0.69 H new ATOM 0 HD22 LEU A 2 21.191 -36.784 -7.216 1.00 0.69 H new ATOM 0 HD23 LEU A 2 19.439 -36.696 -7.518 1.00 0.69 H new ATOM 39 N GLN A 3 20.376 -41.979 -8.660 1.00 1.55 N ATOM 40 CA GLN A 3 20.215 -42.890 -9.798 1.00 1.55 C ATOM 41 C GLN A 3 19.825 -44.325 -9.383 1.00 1.55 C ATOM 42 O GLN A 3 19.026 -44.968 -10.067 1.00 1.55 O ATOM 43 CB GLN A 3 21.479 -42.874 -10.718 1.00 1.55 C ATOM 44 CG GLN A 3 22.804 -43.518 -10.187 1.00 1.55 C ATOM 45 CD GLN A 3 23.419 -42.766 -9.006 1.00 1.55 C ATOM 46 OE1 GLN A 3 23.167 -43.067 -7.844 1.00 1.55 O ATOM 47 NE2 GLN A 3 24.236 -41.758 -9.240 1.00 1.55 N ATOM 0 H GLN A 3 21.330 -41.634 -8.553 1.00 1.55 H new ATOM 0 HA GLN A 3 19.372 -42.512 -10.376 1.00 1.55 H new ATOM 0 HB2 GLN A 3 21.217 -43.377 -11.649 1.00 1.55 H new ATOM 0 HB3 GLN A 3 21.693 -41.835 -10.967 1.00 1.55 H new ATOM 0 HG2 GLN A 3 22.604 -44.547 -9.887 1.00 1.55 H new ATOM 0 HG3 GLN A 3 23.530 -43.558 -10.999 1.00 1.55 H new ATOM 0 HE21 GLN A 3 24.457 -41.493 -10.200 1.00 1.55 H new ATOM 0 HE22 GLN A 3 24.647 -41.243 -8.461 1.00 1.55 H new ATOM 56 N LYS A 4 20.376 -44.811 -8.259 1.00 1.45 N ATOM 57 CA LYS A 4 20.009 -46.091 -7.648 1.00 1.45 C ATOM 58 C LYS A 4 18.534 -46.118 -7.193 1.00 1.45 C ATOM 59 O LYS A 4 17.842 -47.101 -7.463 1.00 1.45 O ATOM 60 CB LYS A 4 21.012 -46.385 -6.495 1.00 1.45 C ATOM 61 CG LYS A 4 20.814 -47.698 -5.683 1.00 1.45 C ATOM 62 CD LYS A 4 20.824 -49.027 -6.480 1.00 1.45 C ATOM 63 CE LYS A 4 22.145 -49.372 -7.169 1.00 1.45 C ATOM 64 NZ LYS A 4 21.924 -50.617 -7.895 1.00 1.45 N ATOM 0 H LYS A 4 21.102 -44.313 -7.743 1.00 1.45 H new ATOM 0 HA LYS A 4 20.081 -46.889 -8.387 1.00 1.45 H new ATOM 0 HB2 LYS A 4 22.016 -46.401 -6.919 1.00 1.45 H new ATOM 0 HB3 LYS A 4 20.975 -45.549 -5.796 1.00 1.45 H new ATOM 0 HG2 LYS A 4 21.598 -47.750 -4.927 1.00 1.45 H new ATOM 0 HG3 LYS A 4 19.864 -47.628 -5.153 1.00 1.45 H new ATOM 0 HD2 LYS A 4 20.566 -49.840 -5.801 1.00 1.45 H new ATOM 0 HD3 LYS A 4 20.041 -48.983 -7.237 1.00 1.45 H new ATOM 0 HE2 LYS A 4 22.447 -48.575 -7.849 1.00 1.45 H new ATOM 0 HE3 LYS A 4 22.945 -49.487 -6.438 1.00 1.45 H new ATOM 0 HZ1 LYS A 4 22.583 -50.673 -8.697 1.00 1.45 H new ATOM 0 HZ2 LYS A 4 22.085 -51.423 -7.258 1.00 1.45 H new ATOM 0 HZ3 LYS A 4 20.946 -50.644 -8.248 1.00 1.45 H new ATOM 78 N LYS A 5 18.030 -45.054 -6.549 1.00 1.18 N ATOM 79 CA LYS A 5 16.602 -44.905 -6.234 1.00 1.18 C ATOM 80 C LYS A 5 15.682 -44.823 -7.475 1.00 1.18 C ATOM 81 O LYS A 5 14.599 -45.423 -7.444 1.00 1.18 O ATOM 82 CB LYS A 5 16.407 -43.696 -5.295 1.00 1.18 C ATOM 83 CG LYS A 5 16.967 -43.965 -3.873 1.00 1.18 C ATOM 84 CD LYS A 5 16.959 -42.730 -2.937 1.00 1.18 C ATOM 85 CE LYS A 5 15.685 -42.473 -2.116 1.00 1.18 C ATOM 86 NZ LYS A 5 14.567 -42.136 -2.989 1.00 1.18 N ATOM 0 H LYS A 5 18.603 -44.272 -6.232 1.00 1.18 H new ATOM 0 HA LYS A 5 16.291 -45.818 -5.727 1.00 1.18 H new ATOM 0 HB2 LYS A 5 16.903 -42.824 -5.720 1.00 1.18 H new ATOM 0 HB3 LYS A 5 15.346 -43.458 -5.227 1.00 1.18 H new ATOM 0 HG2 LYS A 5 16.383 -44.760 -3.410 1.00 1.18 H new ATOM 0 HG3 LYS A 5 17.990 -44.332 -3.962 1.00 1.18 H new ATOM 0 HD2 LYS A 5 17.793 -42.828 -2.242 1.00 1.18 H new ATOM 0 HD3 LYS A 5 17.152 -41.846 -3.544 1.00 1.18 H new ATOM 0 HE2 LYS A 5 15.440 -43.358 -1.529 1.00 1.18 H new ATOM 0 HE3 LYS A 5 15.859 -41.661 -1.410 1.00 1.18 H new ATOM 0 HZ1 LYS A 5 13.847 -41.617 -2.447 1.00 1.18 H new ATOM 0 HZ2 LYS A 5 14.905 -41.542 -3.773 1.00 1.18 H new ATOM 0 HZ3 LYS A 5 14.150 -43.009 -3.371 1.00 1.18 H new ATOM 100 N ILE A 6 16.075 -44.117 -8.560 1.00 0.43 N ATOM 101 CA ILE A 6 15.389 -44.218 -9.868 1.00 0.43 C ATOM 102 C ILE A 6 15.380 -45.675 -10.347 1.00 0.43 C ATOM 103 O ILE A 6 14.306 -46.190 -10.657 1.00 0.43 O ATOM 104 CB ILE A 6 16.005 -43.330 -11.008 1.00 0.43 C ATOM 105 CG1 ILE A 6 16.006 -41.850 -10.585 1.00 0.43 C ATOM 106 CG2 ILE A 6 15.267 -43.521 -12.394 1.00 0.43 C ATOM 107 CD1 ILE A 6 16.789 -40.937 -11.539 1.00 0.43 C ATOM 0 H ILE A 6 16.864 -43.471 -8.555 1.00 0.43 H new ATOM 0 HA ILE A 6 14.382 -43.843 -9.685 1.00 0.43 H new ATOM 0 HB ILE A 6 17.033 -43.660 -11.157 1.00 0.43 H new ATOM 0 HG12 ILE A 6 14.976 -41.498 -10.523 1.00 0.43 H new ATOM 0 HG13 ILE A 6 16.432 -41.767 -9.585 1.00 0.43 H new ATOM 0 HG21 ILE A 6 15.734 -42.884 -13.145 1.00 0.43 H new ATOM 0 HG22 ILE A 6 15.341 -44.563 -12.705 1.00 0.43 H new ATOM 0 HG23 ILE A 6 14.217 -43.248 -12.288 1.00 0.43 H new ATOM 0 HD11 ILE A 6 16.746 -39.910 -11.177 1.00 0.43 H new ATOM 0 HD12 ILE A 6 17.828 -41.263 -11.583 1.00 0.43 H new ATOM 0 HD13 ILE A 6 16.350 -40.989 -12.535 1.00 0.43 H new ATOM 119 N GLU A 7 16.558 -46.324 -10.382 1.00 1.25 N ATOM 120 CA GLU A 7 16.688 -47.735 -10.741 1.00 1.25 C ATOM 121 C GLU A 7 15.824 -48.638 -9.846 1.00 1.25 C ATOM 122 O GLU A 7 15.067 -49.404 -10.418 1.00 1.25 O ATOM 123 CB GLU A 7 18.189 -48.134 -10.746 1.00 1.25 C ATOM 124 CG GLU A 7 18.509 -49.600 -11.198 1.00 1.25 C ATOM 125 CD GLU A 7 18.828 -50.538 -10.029 1.00 1.25 C ATOM 126 OE1 GLU A 7 19.979 -50.549 -9.584 1.00 1.25 O ATOM 127 OE2 GLU A 7 17.941 -51.254 -9.578 1.00 1.25 O ATOM 0 H GLU A 7 17.447 -45.876 -10.160 1.00 1.25 H new ATOM 0 HA GLU A 7 16.302 -47.883 -11.750 1.00 1.25 H new ATOM 0 HB2 GLU A 7 18.725 -47.448 -11.402 1.00 1.25 H new ATOM 0 HB3 GLU A 7 18.586 -47.990 -9.741 1.00 1.25 H new ATOM 0 HG2 GLU A 7 17.658 -49.996 -11.751 1.00 1.25 H new ATOM 0 HG3 GLU A 7 19.356 -49.585 -11.884 1.00 1.25 H new ATOM 134 N GLU A 8 15.818 -48.576 -8.508 1.00 1.33 N ATOM 135 CA GLU A 8 14.940 -49.421 -7.680 1.00 1.33 C ATOM 136 C GLU A 8 13.426 -49.193 -7.888 1.00 1.33 C ATOM 137 O GLU A 8 12.650 -50.127 -7.663 1.00 1.33 O ATOM 138 CB GLU A 8 15.290 -49.226 -6.185 1.00 1.33 C ATOM 139 CG GLU A 8 16.720 -49.721 -5.825 1.00 1.33 C ATOM 140 CD GLU A 8 17.125 -49.325 -4.405 1.00 1.33 C ATOM 141 OE1 GLU A 8 17.479 -48.165 -4.194 1.00 1.33 O ATOM 142 OE2 GLU A 8 17.092 -50.185 -3.530 1.00 1.33 O ATOM 0 H GLU A 8 16.414 -47.946 -7.971 1.00 1.33 H new ATOM 0 HA GLU A 8 15.130 -50.444 -8.005 1.00 1.33 H new ATOM 0 HB2 GLU A 8 15.203 -48.169 -5.932 1.00 1.33 H new ATOM 0 HB3 GLU A 8 14.562 -49.761 -5.575 1.00 1.33 H new ATOM 0 HG2 GLU A 8 16.764 -50.806 -5.925 1.00 1.33 H new ATOM 0 HG3 GLU A 8 17.436 -49.307 -6.535 1.00 1.33 H new ATOM 149 N GLU A 9 12.946 -47.997 -8.265 1.00 0.91 N ATOM 150 CA GLU A 9 11.551 -47.815 -8.698 1.00 0.91 C ATOM 151 C GLU A 9 11.331 -48.188 -10.179 1.00 0.91 C ATOM 152 O GLU A 9 10.500 -49.051 -10.467 1.00 0.91 O ATOM 153 CB GLU A 9 11.091 -46.380 -8.344 1.00 0.91 C ATOM 154 CG GLU A 9 11.101 -46.103 -6.797 1.00 0.91 C ATOM 155 CD GLU A 9 10.093 -46.945 -6.007 1.00 0.91 C ATOM 156 OE1 GLU A 9 8.896 -46.706 -6.125 1.00 0.91 O ATOM 157 OE2 GLU A 9 10.517 -47.842 -5.258 1.00 0.91 O ATOM 0 H GLU A 9 13.503 -47.142 -8.279 1.00 0.91 H new ATOM 0 HA GLU A 9 10.918 -48.515 -8.153 1.00 0.91 H new ATOM 0 HB2 GLU A 9 11.742 -45.661 -8.842 1.00 0.91 H new ATOM 0 HB3 GLU A 9 10.085 -46.220 -8.731 1.00 0.91 H new ATOM 0 HG2 GLU A 9 12.102 -46.295 -6.410 1.00 0.91 H new ATOM 0 HG3 GLU A 9 10.890 -45.047 -6.626 1.00 0.91 H new ATOM 164 N ALA A 10 12.040 -47.567 -11.127 1.00 0.00 N ATOM 165 CA ALA A 10 12.000 -47.940 -12.552 1.00 0.00 C ATOM 166 C ALA A 10 12.677 -49.276 -12.975 1.00 0.00 C ATOM 167 O ALA A 10 12.753 -49.538 -14.176 1.00 0.00 O ATOM 168 CB ALA A 10 12.519 -46.723 -13.353 1.00 0.00 C ATOM 0 H ALA A 10 12.664 -46.785 -10.929 1.00 0.00 H new ATOM 0 HA ALA A 10 10.961 -48.176 -12.783 1.00 0.00 H new ATOM 0 HB1 ALA A 10 12.506 -46.956 -14.418 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.878 -45.862 -13.162 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.539 -46.492 -13.044 1.00 0.00 H new ATOM 174 N ALA A 11 13.233 -50.137 -12.109 1.00 0.00 N ATOM 175 CA ALA A 11 13.434 -51.565 -12.405 1.00 0.00 C ATOM 176 C ALA A 11 12.136 -52.384 -12.326 1.00 0.00 C ATOM 177 O ALA A 11 11.775 -53.104 -13.261 1.00 0.00 O ATOM 178 CB ALA A 11 14.497 -52.170 -11.451 1.00 0.00 C ATOM 0 H ALA A 11 13.557 -49.863 -11.182 1.00 0.00 H new ATOM 0 HA ALA A 11 13.785 -51.621 -13.435 1.00 0.00 H new ATOM 0 HB1 ALA A 11 14.634 -53.226 -11.682 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.443 -51.644 -11.580 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.162 -52.065 -10.419 1.00 0.00 H new ATOM 184 N LYS A 12 11.398 -52.243 -11.218 1.00 1.08 N ATOM 185 CA LYS A 12 10.206 -53.044 -10.940 1.00 1.08 C ATOM 186 C LYS A 12 8.945 -52.487 -11.647 1.00 1.08 C ATOM 187 O LYS A 12 7.942 -52.098 -11.047 1.00 1.08 O ATOM 188 CB LYS A 12 10.057 -53.273 -9.403 1.00 1.08 C ATOM 189 CG LYS A 12 9.989 -51.994 -8.537 1.00 1.08 C ATOM 190 CD LYS A 12 9.757 -52.312 -7.045 1.00 1.08 C ATOM 191 CE LYS A 12 9.535 -51.040 -6.224 1.00 1.08 C ATOM 192 NZ LYS A 12 10.819 -50.423 -5.910 1.00 1.08 N ATOM 0 H LYS A 12 11.615 -51.565 -10.487 1.00 1.08 H new ATOM 0 HA LYS A 12 10.329 -54.034 -11.380 1.00 1.08 H new ATOM 0 HB2 LYS A 12 9.153 -53.857 -9.227 1.00 1.08 H new ATOM 0 HB3 LYS A 12 10.898 -53.877 -9.061 1.00 1.08 H new ATOM 0 HG2 LYS A 12 10.917 -51.433 -8.647 1.00 1.08 H new ATOM 0 HG3 LYS A 12 9.185 -51.354 -8.900 1.00 1.08 H new ATOM 0 HD2 LYS A 12 8.892 -52.967 -6.943 1.00 1.08 H new ATOM 0 HD3 LYS A 12 10.616 -52.855 -6.651 1.00 1.08 H new ATOM 0 HE2 LYS A 12 8.912 -50.341 -6.782 1.00 1.08 H new ATOM 0 HE3 LYS A 12 9.001 -51.279 -5.304 1.00 1.08 H new ATOM 0 HZ1 LYS A 12 10.662 -49.466 -5.535 1.00 1.08 H new ATOM 0 HZ2 LYS A 12 11.315 -50.997 -5.198 1.00 1.08 H new ATOM 0 HZ3 LYS A 12 11.397 -50.366 -6.773 1.00 1.08 H new ATOM 206 N TYR A 13 9.033 -52.526 -12.986 1.00 1.49 N ATOM 207 CA TYR A 13 8.006 -52.093 -13.946 1.00 1.49 C ATOM 208 C TYR A 13 6.588 -52.689 -13.773 1.00 1.49 C ATOM 209 O TYR A 13 5.640 -52.208 -14.395 1.00 1.49 O ATOM 210 CB TYR A 13 8.559 -52.375 -15.380 1.00 1.49 C ATOM 211 CG TYR A 13 9.102 -51.120 -16.095 1.00 1.49 C ATOM 212 CD1 TYR A 13 9.903 -50.161 -15.484 1.00 1.49 C ATOM 213 CD2 TYR A 13 8.788 -50.906 -17.429 1.00 1.49 C ATOM 214 CE1 TYR A 13 10.351 -49.050 -16.174 1.00 1.49 C ATOM 215 CE2 TYR A 13 9.234 -49.797 -18.121 1.00 1.49 C ATOM 216 CZ TYR A 13 10.011 -48.863 -17.488 1.00 1.49 C ATOM 217 OH TYR A 13 10.396 -47.745 -18.154 1.00 1.49 O ATOM 0 H TYR A 13 9.868 -52.880 -13.453 1.00 1.49 H new ATOM 0 HA TYR A 13 7.838 -51.033 -13.757 1.00 1.49 H new ATOM 0 HB2 TYR A 13 9.355 -53.117 -15.313 1.00 1.49 H new ATOM 0 HB3 TYR A 13 7.766 -52.812 -15.986 1.00 1.49 H new ATOM 0 HD1 TYR A 13 10.181 -50.287 -14.448 1.00 1.49 H new ATOM 0 HD2 TYR A 13 8.174 -51.631 -17.944 1.00 1.49 H new ATOM 0 HE1 TYR A 13 10.974 -48.324 -15.673 1.00 1.49 H new ATOM 0 HE2 TYR A 13 8.970 -49.666 -19.160 1.00 1.49 H new ATOM 0 HH TYR A 13 10.389 -46.980 -17.541 1.00 1.49 H new ATOM 227 N LYS A 14 6.424 -53.739 -12.954 1.00 1.55 N ATOM 228 CA LYS A 14 5.128 -54.169 -12.417 1.00 1.55 C ATOM 229 C LYS A 14 4.461 -53.088 -11.535 1.00 1.55 C ATOM 230 O LYS A 14 3.235 -52.955 -11.526 1.00 1.55 O ATOM 231 CB LYS A 14 5.322 -55.473 -11.601 1.00 1.55 C ATOM 232 CG LYS A 14 5.786 -56.666 -12.464 1.00 1.55 C ATOM 233 CD LYS A 14 5.995 -57.926 -11.605 1.00 1.55 C ATOM 234 CE LYS A 14 6.472 -59.099 -12.456 1.00 1.55 C ATOM 235 NZ LYS A 14 6.648 -60.241 -11.572 1.00 1.55 N ATOM 0 H LYS A 14 7.202 -54.321 -12.643 1.00 1.55 H new ATOM 0 HA LYS A 14 4.461 -54.344 -13.261 1.00 1.55 H new ATOM 0 HB2 LYS A 14 6.054 -55.296 -10.813 1.00 1.55 H new ATOM 0 HB3 LYS A 14 4.383 -55.731 -11.111 1.00 1.55 H new ATOM 0 HG2 LYS A 14 5.045 -56.869 -13.237 1.00 1.55 H new ATOM 0 HG3 LYS A 14 6.716 -56.411 -12.972 1.00 1.55 H new ATOM 0 HD2 LYS A 14 6.726 -57.719 -10.823 1.00 1.55 H new ATOM 0 HD3 LYS A 14 5.062 -58.190 -11.108 1.00 1.55 H new ATOM 0 HE2 LYS A 14 5.745 -59.327 -13.236 1.00 1.55 H new ATOM 0 HE3 LYS A 14 7.409 -58.853 -12.956 1.00 1.55 H new ATOM 0 HZ1 LYS A 14 6.974 -61.060 -12.124 1.00 1.55 H new ATOM 0 HZ2 LYS A 14 7.354 -60.011 -10.844 1.00 1.55 H new ATOM 0 HZ3 LYS A 14 5.742 -60.470 -11.116 1.00 1.55 H new ATOM 249 N TYR A 15 5.249 -52.275 -10.813 1.00 0.92 N ATOM 250 CA TYR A 15 4.747 -51.142 -10.030 1.00 0.92 C ATOM 251 C TYR A 15 4.688 -49.860 -10.891 1.00 0.92 C ATOM 252 O TYR A 15 5.357 -48.835 -10.692 1.00 0.92 O ATOM 253 CB TYR A 15 5.600 -50.998 -8.749 1.00 0.92 C ATOM 254 CG TYR A 15 5.278 -52.155 -7.793 1.00 0.92 C ATOM 255 CD1 TYR A 15 4.161 -52.117 -6.976 1.00 0.92 C ATOM 256 CD2 TYR A 15 6.078 -53.281 -7.725 1.00 0.92 C ATOM 257 CE1 TYR A 15 3.856 -53.157 -6.120 1.00 0.92 C ATOM 258 CE2 TYR A 15 5.782 -54.327 -6.874 1.00 0.92 C ATOM 259 CZ TYR A 15 4.672 -54.263 -6.072 1.00 0.92 C ATOM 260 OH TYR A 15 4.393 -55.297 -5.239 1.00 0.92 O ATOM 0 H TYR A 15 6.261 -52.390 -10.758 1.00 0.92 H new ATOM 0 HA TYR A 15 3.719 -51.322 -9.715 1.00 0.92 H new ATOM 0 HB2 TYR A 15 6.660 -51.004 -9.002 1.00 0.92 H new ATOM 0 HB3 TYR A 15 5.393 -50.043 -8.266 1.00 0.92 H new ATOM 0 HD1 TYR A 15 3.513 -51.254 -7.009 1.00 0.92 H new ATOM 0 HD2 TYR A 15 6.955 -53.344 -8.352 1.00 0.92 H new ATOM 0 HE1 TYR A 15 2.980 -53.102 -5.491 1.00 0.92 H new ATOM 0 HE2 TYR A 15 6.424 -55.195 -6.840 1.00 0.92 H new ATOM 0 HH TYR A 15 5.077 -55.992 -5.340 1.00 0.92 H new ATOM 270 N ALA A 16 3.752 -50.015 -11.838 1.00 0.00 N ATOM 271 CA ALA A 16 3.541 -49.135 -12.984 1.00 0.00 C ATOM 272 C ALA A 16 3.259 -47.666 -12.631 1.00 0.00 C ATOM 273 O ALA A 16 3.864 -46.768 -13.217 1.00 0.00 O ATOM 274 CB ALA A 16 2.397 -49.734 -13.828 1.00 0.00 C ATOM 0 H ALA A 16 3.094 -50.794 -11.820 1.00 0.00 H new ATOM 0 HA ALA A 16 4.475 -49.093 -13.544 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.213 -49.099 -14.695 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.676 -50.733 -14.163 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.492 -49.794 -13.224 1.00 0.00 H new ATOM 280 N MET A 17 2.377 -47.427 -11.653 1.00 1.02 N ATOM 281 CA MET A 17 2.049 -46.085 -11.170 1.00 1.02 C ATOM 282 C MET A 17 3.238 -45.389 -10.481 1.00 1.02 C ATOM 283 O MET A 17 3.446 -44.199 -10.700 1.00 1.02 O ATOM 284 CB MET A 17 0.829 -46.151 -10.217 1.00 1.02 C ATOM 285 CG MET A 17 -0.474 -46.574 -10.929 1.00 1.02 C ATOM 286 SD MET A 17 -1.881 -46.684 -9.792 1.00 1.02 S ATOM 287 CE MET A 17 -2.588 -45.025 -9.960 1.00 1.02 C ATOM 0 H MET A 17 1.868 -48.168 -11.172 1.00 1.02 H new ATOM 0 HA MET A 17 1.801 -45.480 -12.042 1.00 1.02 H new ATOM 0 HB2 MET A 17 1.042 -46.855 -9.413 1.00 1.02 H new ATOM 0 HB3 MET A 17 0.683 -45.174 -9.755 1.00 1.02 H new ATOM 0 HG2 MET A 17 -0.703 -45.857 -11.717 1.00 1.02 H new ATOM 0 HG3 MET A 17 -0.324 -47.540 -11.411 1.00 1.02 H new ATOM 0 HE1 MET A 17 -3.465 -44.937 -9.319 1.00 1.02 H new ATOM 0 HE2 MET A 17 -1.847 -44.282 -9.665 1.00 1.02 H new ATOM 0 HE3 MET A 17 -2.878 -44.856 -10.997 1.00 1.02 H new ATOM 297 N LEU A 18 4.046 -46.112 -9.693 1.00 0.39 N ATOM 298 CA LEU A 18 5.180 -45.567 -8.955 1.00 0.39 C ATOM 299 C LEU A 18 6.386 -45.232 -9.844 1.00 0.39 C ATOM 300 O LEU A 18 6.982 -44.155 -9.707 1.00 0.39 O ATOM 301 CB LEU A 18 5.557 -46.585 -7.849 1.00 0.39 C ATOM 302 CG LEU A 18 4.493 -46.879 -6.754 1.00 0.39 C ATOM 303 CD1 LEU A 18 3.917 -45.593 -6.143 1.00 0.39 C ATOM 304 CD2 LEU A 18 3.350 -47.849 -7.103 1.00 0.39 C ATOM 0 H LEU A 18 3.921 -47.114 -9.552 1.00 0.39 H new ATOM 0 HA LEU A 18 4.885 -44.613 -8.519 1.00 0.39 H new ATOM 0 HB2 LEU A 18 5.812 -47.528 -8.332 1.00 0.39 H new ATOM 0 HB3 LEU A 18 6.459 -46.226 -7.354 1.00 0.39 H new ATOM 0 HG LEU A 18 5.089 -47.424 -6.021 1.00 0.39 H new ATOM 0 HD11 LEU A 18 3.178 -45.850 -5.384 1.00 0.39 H new ATOM 0 HD12 LEU A 18 4.721 -45.015 -5.687 1.00 0.39 H new ATOM 0 HD13 LEU A 18 3.442 -45.000 -6.925 1.00 0.39 H new ATOM 0 HD21 LEU A 18 2.688 -47.956 -6.244 1.00 0.39 H new ATOM 0 HD22 LEU A 18 2.786 -47.457 -7.949 1.00 0.39 H new ATOM 0 HD23 LEU A 18 3.766 -48.822 -7.364 1.00 0.39 H new ATOM 316 N LYS A 19 6.767 -46.128 -10.763 1.00 1.06 N ATOM 317 CA LYS A 19 7.698 -45.729 -11.820 1.00 1.06 C ATOM 318 C LYS A 19 7.104 -44.669 -12.778 1.00 1.06 C ATOM 319 O LYS A 19 7.874 -43.869 -13.309 1.00 1.06 O ATOM 320 CB LYS A 19 8.248 -46.972 -12.570 1.00 1.06 C ATOM 321 CG LYS A 19 7.263 -47.762 -13.470 1.00 1.06 C ATOM 322 CD LYS A 19 7.270 -47.299 -14.945 1.00 1.06 C ATOM 323 CE LYS A 19 6.315 -48.104 -15.813 1.00 1.06 C ATOM 324 NZ LYS A 19 6.532 -47.676 -17.186 1.00 1.06 N ATOM 0 H LYS A 19 6.457 -47.099 -10.797 1.00 1.06 H new ATOM 0 HA LYS A 19 8.542 -45.237 -11.338 1.00 1.06 H new ATOM 0 HB2 LYS A 19 9.083 -46.647 -13.190 1.00 1.06 H new ATOM 0 HB3 LYS A 19 8.651 -47.661 -11.828 1.00 1.06 H new ATOM 0 HG2 LYS A 19 7.515 -48.822 -13.429 1.00 1.06 H new ATOM 0 HG3 LYS A 19 6.254 -47.659 -13.070 1.00 1.06 H new ATOM 0 HD2 LYS A 19 6.998 -46.245 -14.993 1.00 1.06 H new ATOM 0 HD3 LYS A 19 8.280 -47.386 -15.345 1.00 1.06 H new ATOM 0 HE2 LYS A 19 6.504 -49.172 -15.707 1.00 1.06 H new ATOM 0 HE3 LYS A 19 5.281 -47.931 -15.513 1.00 1.06 H new ATOM 0 HZ1 LYS A 19 5.661 -47.819 -17.736 1.00 1.06 H new ATOM 0 HZ2 LYS A 19 6.788 -46.668 -17.199 1.00 1.06 H new ATOM 0 HZ3 LYS A 19 7.302 -48.234 -17.606 1.00 1.06 H new ATOM 338 N LYS A 20 5.786 -44.599 -13.051 1.00 0.90 N ATOM 339 CA LYS A 20 5.219 -43.444 -13.757 1.00 0.90 C ATOM 340 C LYS A 20 5.246 -42.174 -12.872 1.00 0.90 C ATOM 341 O LYS A 20 5.370 -41.095 -13.445 1.00 0.90 O ATOM 342 CB LYS A 20 3.803 -43.734 -14.315 1.00 0.90 C ATOM 343 CG LYS A 20 3.404 -42.806 -15.503 1.00 0.90 C ATOM 344 CD LYS A 20 2.168 -41.942 -15.191 1.00 0.90 C ATOM 345 CE LYS A 20 1.688 -41.072 -16.362 1.00 0.90 C ATOM 346 NZ LYS A 20 2.580 -39.933 -16.585 1.00 0.90 N ATOM 0 H LYS A 20 5.108 -45.318 -12.797 1.00 0.90 H new ATOM 0 HA LYS A 20 5.855 -43.252 -14.621 1.00 0.90 H new ATOM 0 HB2 LYS A 20 3.755 -44.772 -14.643 1.00 0.90 H new ATOM 0 HB3 LYS A 20 3.074 -43.619 -13.513 1.00 0.90 H new ATOM 0 HG2 LYS A 20 4.244 -42.156 -15.750 1.00 0.90 H new ATOM 0 HG3 LYS A 20 3.203 -43.416 -16.384 1.00 0.90 H new ATOM 0 HD2 LYS A 20 1.352 -42.595 -14.882 1.00 0.90 H new ATOM 0 HD3 LYS A 20 2.397 -41.295 -14.344 1.00 0.90 H new ATOM 0 HE2 LYS A 20 1.634 -41.676 -17.268 1.00 0.90 H new ATOM 0 HE3 LYS A 20 0.680 -40.711 -16.159 1.00 0.90 H new ATOM 0 HZ1 LYS A 20 2.084 -39.207 -17.140 1.00 0.90 H new ATOM 0 HZ2 LYS A 20 2.867 -39.533 -15.669 1.00 0.90 H new ATOM 0 HZ3 LYS A 20 3.424 -40.249 -17.105 1.00 0.90 H new ATOM 360 N CYS A 21 5.157 -42.215 -11.524 1.00 0.42 N ATOM 361 CA CYS A 21 5.536 -41.079 -10.662 1.00 0.42 C ATOM 362 C CYS A 21 6.991 -40.601 -10.878 1.00 0.42 C ATOM 363 O CYS A 21 7.227 -39.388 -10.938 1.00 0.42 O ATOM 364 CB CYS A 21 5.333 -41.432 -9.180 1.00 0.42 C ATOM 365 SG CYS A 21 3.616 -41.617 -8.630 1.00 0.42 S ATOM 0 H CYS A 21 4.823 -43.030 -11.009 1.00 0.42 H new ATOM 0 HA CYS A 21 4.879 -40.257 -10.948 1.00 0.42 H new ATOM 0 HB2 CYS A 21 5.861 -42.363 -8.974 1.00 0.42 H new ATOM 0 HB3 CYS A 21 5.805 -40.657 -8.575 1.00 0.42 H new ATOM 370 N CYS A 22 7.954 -41.539 -11.019 1.00 0.06 N ATOM 371 CA CYS A 22 9.292 -41.241 -11.576 1.00 0.06 C ATOM 372 C CYS A 22 9.193 -40.460 -12.874 1.00 0.06 C ATOM 373 O CYS A 22 9.729 -39.359 -12.996 1.00 0.06 O ATOM 374 CB CYS A 22 10.199 -42.497 -11.662 1.00 0.06 C ATOM 375 SG CYS A 22 11.947 -42.186 -11.271 1.00 0.06 S ATOM 0 H CYS A 22 7.827 -42.515 -10.752 1.00 0.06 H new ATOM 0 HA CYS A 22 9.801 -40.585 -10.870 1.00 0.06 H new ATOM 0 HB2 CYS A 22 9.815 -43.255 -10.979 1.00 0.06 H new ATOM 0 HB3 CYS A 22 10.132 -42.911 -12.668 1.00 0.06 H new ATOM 380 N TYR A 23 8.437 -40.985 -13.815 1.00 0.12 N ATOM 381 CA TYR A 23 8.362 -40.361 -15.119 1.00 0.12 C ATOM 382 C TYR A 23 7.573 -39.028 -15.129 1.00 0.12 C ATOM 383 O TYR A 23 7.921 -38.138 -15.903 1.00 0.12 O ATOM 384 CB TYR A 23 7.998 -41.459 -16.100 1.00 0.12 C ATOM 385 CG TYR A 23 8.991 -42.660 -16.055 1.00 0.12 C ATOM 386 CD1 TYR A 23 10.198 -42.773 -15.316 1.00 0.12 C ATOM 387 CD2 TYR A 23 8.685 -43.698 -16.914 1.00 0.12 C ATOM 388 CE1 TYR A 23 11.035 -43.859 -15.521 1.00 0.12 C ATOM 389 CE2 TYR A 23 9.520 -44.775 -17.102 1.00 0.12 C ATOM 390 CZ TYR A 23 10.698 -44.852 -16.413 1.00 0.12 C ATOM 391 OH TYR A 23 11.511 -45.923 -16.633 1.00 0.12 O ATOM 0 H TYR A 23 7.874 -41.828 -13.705 1.00 0.12 H new ATOM 0 HA TYR A 23 9.316 -39.958 -15.458 1.00 0.12 H new ATOM 0 HB2 TYR A 23 6.992 -41.817 -15.882 1.00 0.12 H new ATOM 0 HB3 TYR A 23 7.978 -41.047 -17.109 1.00 0.12 H new ATOM 0 HD1 TYR A 23 10.464 -42.014 -14.595 1.00 0.12 H new ATOM 0 HD2 TYR A 23 7.754 -43.662 -17.459 1.00 0.12 H new ATOM 0 HE1 TYR A 23 11.964 -43.927 -14.974 1.00 0.12 H new ATOM 0 HE2 TYR A 23 9.245 -45.558 -17.793 1.00 0.12 H new ATOM 0 HH TYR A 23 12.403 -45.737 -16.271 1.00 0.12 H new ATOM 401 N ASP A 24 6.593 -38.833 -14.224 1.00 0.72 N ATOM 402 CA ASP A 24 6.019 -37.519 -13.881 1.00 0.72 C ATOM 403 C ASP A 24 7.065 -36.507 -13.377 1.00 0.72 C ATOM 404 O ASP A 24 6.953 -35.319 -13.685 1.00 0.72 O ATOM 405 CB ASP A 24 4.858 -37.639 -12.850 1.00 0.72 C ATOM 406 CG ASP A 24 3.668 -38.476 -13.328 1.00 0.72 C ATOM 407 OD1 ASP A 24 3.368 -38.523 -14.527 1.00 0.72 O ATOM 408 OD2 ASP A 24 3.020 -39.067 -12.471 1.00 0.72 O ATOM 0 H ASP A 24 6.171 -39.601 -13.701 1.00 0.72 H new ATOM 0 HA ASP A 24 5.619 -37.133 -14.819 1.00 0.72 H new ATOM 0 HB2 ASP A 24 5.249 -38.077 -11.932 1.00 0.72 H new ATOM 0 HB3 ASP A 24 4.505 -36.638 -12.601 1.00 0.72 H new ATOM 413 N GLY A 25 8.053 -36.952 -12.586 1.00 0.00 N ATOM 414 CA GLY A 25 9.256 -36.155 -12.302 1.00 0.00 C ATOM 415 C GLY A 25 10.186 -35.947 -13.507 1.00 0.00 C ATOM 416 O GLY A 25 10.751 -34.865 -13.661 1.00 0.00 O ATOM 0 H GLY A 25 8.042 -37.864 -12.130 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.949 -35.180 -11.925 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.819 -36.642 -11.506 1.00 0.00 H new ATOM 420 N ALA A 26 10.373 -36.977 -14.346 1.00 0.00 N ATOM 421 CA ALA A 26 11.218 -36.901 -15.542 1.00 0.00 C ATOM 422 C ALA A 26 10.688 -36.011 -16.688 1.00 0.00 C ATOM 423 O ALA A 26 11.528 -35.509 -17.443 1.00 0.00 O ATOM 424 CB ALA A 26 11.541 -38.313 -16.062 1.00 0.00 C ATOM 0 H ALA A 26 9.939 -37.890 -14.211 1.00 0.00 H new ATOM 0 HA ALA A 26 12.125 -36.399 -15.205 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.169 -38.239 -16.950 1.00 0.00 H new ATOM 0 HB2 ALA A 26 12.069 -38.873 -15.290 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.614 -38.828 -16.315 1.00 0.00 H new ATOM 430 N TYR A 27 9.376 -35.768 -16.895 1.00 1.75 N ATOM 431 CA TYR A 27 8.910 -34.766 -17.877 1.00 1.75 C ATOM 432 C TYR A 27 9.255 -33.308 -17.437 1.00 1.75 C ATOM 433 O TYR A 27 8.372 -32.458 -17.252 1.00 1.75 O ATOM 434 CB TYR A 27 7.368 -34.846 -18.194 1.00 1.75 C ATOM 435 CG TYR A 27 6.696 -36.230 -18.229 1.00 1.75 C ATOM 436 CD1 TYR A 27 7.169 -37.317 -18.950 1.00 1.75 C ATOM 437 CD2 TYR A 27 5.533 -36.419 -17.504 1.00 1.75 C ATOM 438 CE1 TYR A 27 6.511 -38.539 -18.931 1.00 1.75 C ATOM 439 CE2 TYR A 27 4.874 -37.629 -17.478 1.00 1.75 C ATOM 440 CZ TYR A 27 5.362 -38.696 -18.185 1.00 1.75 C ATOM 441 OH TYR A 27 4.718 -39.897 -18.099 1.00 1.75 O ATOM 0 H TYR A 27 8.625 -36.248 -16.399 1.00 1.75 H new ATOM 0 HA TYR A 27 9.451 -35.017 -18.789 1.00 1.75 H new ATOM 0 HB2 TYR A 27 6.845 -34.243 -17.452 1.00 1.75 H new ATOM 0 HB3 TYR A 27 7.204 -34.373 -19.162 1.00 1.75 H new ATOM 0 HD1 TYR A 27 8.068 -37.210 -19.538 1.00 1.75 H new ATOM 0 HD2 TYR A 27 5.128 -35.591 -16.940 1.00 1.75 H new ATOM 0 HE1 TYR A 27 6.900 -39.369 -19.502 1.00 1.75 H new ATOM 0 HE2 TYR A 27 3.969 -37.736 -16.898 1.00 1.75 H new ATOM 0 HH TYR A 27 5.369 -40.624 -18.188 1.00 1.75 H new ATOM 451 N ARG A 28 10.544 -32.961 -17.264 1.00 1.73 N ATOM 452 CA ARG A 28 10.958 -31.624 -16.823 1.00 1.73 C ATOM 453 C ARG A 28 10.892 -30.577 -17.959 1.00 1.73 C ATOM 454 O ARG A 28 11.866 -30.223 -18.632 1.00 1.73 O ATOM 455 CB ARG A 28 12.358 -31.730 -16.181 1.00 1.73 C ATOM 456 CG ARG A 28 12.845 -30.495 -15.387 1.00 1.73 C ATOM 457 CD ARG A 28 12.095 -30.276 -14.071 1.00 1.73 C ATOM 458 NE ARG A 28 12.779 -29.205 -13.351 1.00 1.73 N ATOM 459 CZ ARG A 28 12.218 -28.315 -12.590 1.00 1.73 C ATOM 460 NH1 ARG A 28 10.961 -28.142 -12.445 1.00 1.73 N ATOM 461 NH2 ARG A 28 12.976 -27.506 -11.969 1.00 1.73 N ATOM 0 H ARG A 28 11.322 -33.600 -17.426 1.00 1.73 H new ATOM 0 HA ARG A 28 10.255 -31.258 -16.075 1.00 1.73 H new ATOM 0 HB2 ARG A 28 12.363 -32.590 -15.512 1.00 1.73 H new ATOM 0 HB3 ARG A 28 13.081 -31.936 -16.970 1.00 1.73 H new ATOM 0 HG2 ARG A 28 13.908 -30.606 -15.175 1.00 1.73 H new ATOM 0 HG3 ARG A 28 12.735 -29.607 -16.010 1.00 1.73 H new ATOM 0 HD2 ARG A 28 11.056 -30.008 -14.262 1.00 1.73 H new ATOM 0 HD3 ARG A 28 12.084 -31.191 -13.479 1.00 1.73 H new ATOM 0 HE ARG A 28 13.792 -29.151 -13.456 1.00 1.73 H new ATOM 0 HH11 ARG A 28 10.303 -28.733 -12.953 1.00 1.73 H new ATOM 0 HH12 ARG A 28 10.615 -27.413 -11.821 1.00 1.73 H new ATOM 0 HH21 ARG A 28 13.988 -27.570 -12.078 1.00 1.73 H new ATOM 0 HH22 ARG A 28 12.572 -26.793 -11.362 1.00 1.73 H new ATOM 475 N ASN A 29 9.647 -30.173 -18.220 1.00 1.27 N ATOM 476 CA ASN A 29 9.330 -29.033 -19.081 1.00 1.27 C ATOM 477 C ASN A 29 8.667 -27.866 -18.315 1.00 1.27 C ATOM 478 O ASN A 29 8.436 -26.800 -18.886 1.00 1.27 O ATOM 479 CB ASN A 29 8.415 -29.530 -20.234 1.00 1.27 C ATOM 480 CG ASN A 29 9.132 -30.560 -21.107 1.00 1.27 C ATOM 481 OD1 ASN A 29 8.905 -31.758 -21.004 1.00 1.27 O ATOM 482 ND2 ASN A 29 10.022 -30.161 -21.994 1.00 1.27 N ATOM 0 H ASN A 29 8.822 -30.633 -17.835 1.00 1.27 H new ATOM 0 HA ASN A 29 10.263 -28.633 -19.479 1.00 1.27 H new ATOM 0 HB2 ASN A 29 7.509 -29.970 -19.818 1.00 1.27 H new ATOM 0 HB3 ASN A 29 8.106 -28.683 -20.847 1.00 1.27 H new ATOM 0 HD21 ASN A 29 10.504 -30.846 -22.576 1.00 1.27 H new ATOM 0 HD22 ASN A 29 10.228 -29.168 -22.098 1.00 1.27 H new ATOM 489 N ASP A 30 8.322 -28.065 -17.032 1.00 1.12 N ATOM 490 CA ASP A 30 7.768 -27.018 -16.169 1.00 1.12 C ATOM 491 C ASP A 30 8.808 -25.970 -15.709 1.00 1.12 C ATOM 492 O ASP A 30 8.459 -24.804 -15.520 1.00 1.12 O ATOM 493 CB ASP A 30 7.019 -27.679 -14.966 1.00 1.12 C ATOM 494 CG ASP A 30 7.944 -28.249 -13.888 1.00 1.12 C ATOM 495 OD1 ASP A 30 8.815 -29.068 -14.193 1.00 1.12 O ATOM 496 OD2 ASP A 30 7.814 -27.828 -12.743 1.00 1.12 O ATOM 0 H ASP A 30 8.422 -28.966 -16.564 1.00 1.12 H new ATOM 0 HA ASP A 30 7.056 -26.446 -16.764 1.00 1.12 H new ATOM 0 HB2 ASP A 30 6.362 -26.938 -14.510 1.00 1.12 H new ATOM 0 HB3 ASP A 30 6.383 -28.480 -15.344 1.00 1.12 H new ATOM 501 N ASP A 31 10.058 -26.399 -15.446 1.00 1.21 N ATOM 502 CA ASP A 31 11.205 -25.576 -15.016 1.00 1.21 C ATOM 503 C ASP A 31 11.079 -24.839 -13.659 1.00 1.21 C ATOM 504 O ASP A 31 12.099 -24.500 -13.058 1.00 1.21 O ATOM 505 CB ASP A 31 11.675 -24.637 -16.170 1.00 1.21 C ATOM 506 CG ASP A 31 12.369 -25.420 -17.286 1.00 1.21 C ATOM 507 OD1 ASP A 31 11.727 -26.228 -17.955 1.00 1.21 O ATOM 508 OD2 ASP A 31 13.565 -25.212 -17.467 1.00 1.21 O ATOM 0 H ASP A 31 10.308 -27.384 -15.533 1.00 1.21 H new ATOM 0 HA ASP A 31 11.986 -26.305 -14.799 1.00 1.21 H new ATOM 0 HB2 ASP A 31 10.817 -24.104 -16.578 1.00 1.21 H new ATOM 0 HB3 ASP A 31 12.358 -23.886 -15.773 1.00 1.21 H new ATOM 513 N GLU A 32 9.867 -24.534 -13.176 1.00 1.46 N ATOM 514 CA GLU A 32 9.588 -24.094 -11.801 1.00 1.46 C ATOM 515 C GLU A 32 9.767 -25.180 -10.692 1.00 1.46 C ATOM 516 O GLU A 32 10.596 -26.086 -10.837 1.00 1.46 O ATOM 517 CB GLU A 32 8.183 -23.421 -11.816 1.00 1.46 C ATOM 518 CG GLU A 32 7.006 -24.380 -12.225 1.00 1.46 C ATOM 519 CD GLU A 32 5.944 -24.571 -11.137 1.00 1.46 C ATOM 520 OE1 GLU A 32 6.280 -24.596 -9.953 1.00 1.46 O ATOM 521 OE2 GLU A 32 4.774 -24.704 -11.495 1.00 1.46 O ATOM 0 H GLU A 32 9.026 -24.588 -13.750 1.00 1.46 H new ATOM 0 HA GLU A 32 10.351 -23.376 -11.501 1.00 1.46 H new ATOM 0 HB2 GLU A 32 7.977 -23.016 -10.825 1.00 1.46 H new ATOM 0 HB3 GLU A 32 8.205 -22.578 -12.507 1.00 1.46 H new ATOM 0 HG2 GLU A 32 6.526 -23.986 -13.121 1.00 1.46 H new ATOM 0 HG3 GLU A 32 7.420 -25.353 -12.488 1.00 1.46 H new ATOM 528 N THR A 33 9.019 -25.183 -9.574 1.00 0.72 N ATOM 529 CA THR A 33 9.347 -25.998 -8.394 1.00 0.72 C ATOM 530 C THR A 33 8.553 -27.320 -8.383 1.00 0.72 C ATOM 531 O THR A 33 7.407 -27.386 -7.922 1.00 0.72 O ATOM 532 CB THR A 33 9.126 -25.185 -7.086 1.00 0.72 C ATOM 533 OG1 THR A 33 9.902 -24.000 -7.133 1.00 0.72 O ATOM 534 CG2 THR A 33 9.649 -25.870 -5.822 1.00 0.72 C ATOM 0 H THR A 33 8.174 -24.622 -9.465 1.00 0.72 H new ATOM 0 HA THR A 33 10.403 -26.261 -8.449 1.00 0.72 H new ATOM 0 HB THR A 33 8.046 -25.045 -7.036 1.00 0.72 H new ATOM 0 HG1 THR A 33 9.763 -23.485 -6.311 1.00 0.72 H new ATOM 0 HG21 THR A 33 9.454 -25.236 -4.957 1.00 0.72 H new ATOM 0 HG22 THR A 33 9.144 -26.827 -5.691 1.00 0.72 H new ATOM 0 HG23 THR A 33 10.722 -26.036 -5.916 1.00 0.72 H new ATOM 542 N CYS A 34 9.193 -28.395 -8.871 1.00 0.51 N ATOM 543 CA CYS A 34 8.583 -29.725 -9.001 1.00 0.51 C ATOM 544 C CYS A 34 8.106 -30.351 -7.675 1.00 0.51 C ATOM 545 O CYS A 34 7.123 -31.088 -7.669 1.00 0.51 O ATOM 546 CB CYS A 34 9.543 -30.689 -9.744 1.00 0.51 C ATOM 547 SG CYS A 34 11.065 -31.148 -8.869 1.00 0.51 S ATOM 0 H CYS A 34 10.161 -28.363 -9.190 1.00 0.51 H new ATOM 0 HA CYS A 34 7.677 -29.572 -9.587 1.00 0.51 H new ATOM 0 HB2 CYS A 34 8.996 -31.602 -9.979 1.00 0.51 H new ATOM 0 HB3 CYS A 34 9.820 -30.230 -10.693 1.00 0.51 H new ATOM 552 N GLU A 35 8.779 -30.062 -6.552 1.00 1.35 N ATOM 553 CA GLU A 35 8.363 -30.507 -5.218 1.00 1.35 C ATOM 554 C GLU A 35 7.101 -29.810 -4.666 1.00 1.35 C ATOM 555 O GLU A 35 6.449 -30.368 -3.784 1.00 1.35 O ATOM 556 CB GLU A 35 9.552 -30.418 -4.232 1.00 1.35 C ATOM 557 CG GLU A 35 10.640 -31.473 -4.596 1.00 1.35 C ATOM 558 CD GLU A 35 11.796 -31.516 -3.600 1.00 1.35 C ATOM 559 OE1 GLU A 35 11.681 -32.195 -2.577 1.00 1.35 O ATOM 560 OE2 GLU A 35 12.844 -30.931 -3.878 1.00 1.35 O ATOM 0 H GLU A 35 9.635 -29.508 -6.546 1.00 1.35 H new ATOM 0 HA GLU A 35 8.062 -31.549 -5.327 1.00 1.35 H new ATOM 0 HB2 GLU A 35 9.983 -29.417 -4.261 1.00 1.35 H new ATOM 0 HB3 GLU A 35 9.201 -30.584 -3.213 1.00 1.35 H new ATOM 0 HG2 GLU A 35 10.177 -32.459 -4.648 1.00 1.35 H new ATOM 0 HG3 GLU A 35 11.033 -31.252 -5.589 1.00 1.35 H new ATOM 567 N GLU A 36 6.713 -28.622 -5.155 1.00 1.46 N ATOM 568 CA GLU A 36 5.412 -28.019 -4.833 1.00 1.46 C ATOM 569 C GLU A 36 4.281 -28.747 -5.599 1.00 1.46 C ATOM 570 O GLU A 36 3.204 -29.056 -5.071 1.00 1.46 O ATOM 571 CB GLU A 36 5.441 -26.512 -5.192 1.00 1.46 C ATOM 572 CG GLU A 36 4.262 -25.723 -4.538 1.00 1.46 C ATOM 573 CD GLU A 36 3.887 -24.471 -5.329 1.00 1.46 C ATOM 574 OE1 GLU A 36 4.498 -23.428 -5.119 1.00 1.46 O ATOM 575 OE2 GLU A 36 2.968 -24.571 -6.148 1.00 1.46 O ATOM 0 H GLU A 36 7.288 -28.057 -5.780 1.00 1.46 H new ATOM 0 HA GLU A 36 5.216 -28.123 -3.766 1.00 1.46 H new ATOM 0 HB2 GLU A 36 6.388 -26.082 -4.866 1.00 1.46 H new ATOM 0 HB3 GLU A 36 5.395 -26.398 -6.275 1.00 1.46 H new ATOM 0 HG2 GLU A 36 3.392 -26.374 -4.461 1.00 1.46 H new ATOM 0 HG3 GLU A 36 4.538 -25.438 -3.523 1.00 1.46 H new ATOM 582 N ARG A 37 4.559 -29.036 -6.878 1.00 1.68 N ATOM 583 CA ARG A 37 3.717 -29.902 -7.697 1.00 1.68 C ATOM 584 C ARG A 37 3.658 -31.335 -7.139 1.00 1.68 C ATOM 585 O ARG A 37 2.571 -31.906 -7.127 1.00 1.68 O ATOM 586 CB ARG A 37 4.186 -29.861 -9.177 1.00 1.68 C ATOM 587 CG ARG A 37 4.124 -28.448 -9.826 1.00 1.68 C ATOM 588 CD ARG A 37 2.701 -27.886 -9.975 1.00 1.68 C ATOM 589 NE ARG A 37 2.802 -26.512 -10.454 1.00 1.68 N ATOM 590 CZ ARG A 37 1.838 -25.638 -10.486 1.00 1.68 C ATOM 591 NH1 ARG A 37 0.649 -25.830 -10.053 1.00 1.68 N ATOM 592 NH2 ARG A 37 2.133 -24.502 -10.973 1.00 1.68 N ATOM 0 H ARG A 37 5.376 -28.673 -7.369 1.00 1.68 H new ATOM 0 HA ARG A 37 2.695 -29.524 -7.662 1.00 1.68 H new ATOM 0 HB2 ARG A 37 5.210 -30.229 -9.232 1.00 1.68 H new ATOM 0 HB3 ARG A 37 3.569 -30.544 -9.761 1.00 1.68 H new ATOM 0 HG2 ARG A 37 4.714 -27.757 -9.224 1.00 1.68 H new ATOM 0 HG3 ARG A 37 4.591 -28.492 -10.810 1.00 1.68 H new ATOM 0 HD2 ARG A 37 2.125 -28.491 -10.675 1.00 1.68 H new ATOM 0 HD3 ARG A 37 2.178 -27.918 -9.019 1.00 1.68 H new ATOM 0 HE ARG A 37 3.713 -26.208 -10.796 1.00 1.68 H new ATOM 0 HH11 ARG A 37 0.395 -26.728 -9.642 1.00 1.68 H new ATOM 0 HH12 ARG A 37 -0.044 -25.085 -10.119 1.00 1.68 H new ATOM 0 HH21 ARG A 37 3.079 -24.321 -11.309 1.00 1.68 H new ATOM 0 HH22 ARG A 37 1.424 -23.771 -11.028 1.00 1.68 H new ATOM 606 N ALA A 38 4.751 -31.951 -6.666 1.00 0.00 N ATOM 607 CA ALA A 38 4.686 -33.212 -5.923 1.00 0.00 C ATOM 608 C ALA A 38 4.380 -33.119 -4.408 1.00 0.00 C ATOM 609 O ALA A 38 4.408 -34.129 -3.705 1.00 0.00 O ATOM 610 CB ALA A 38 5.873 -34.093 -6.296 1.00 0.00 C ATOM 0 H ALA A 38 5.697 -31.590 -6.788 1.00 0.00 H new ATOM 0 HA ALA A 38 3.775 -33.711 -6.253 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.820 -35.029 -5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.848 -34.303 -7.365 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.801 -33.577 -6.049 1.00 0.00 H new ATOM 616 N ALA A 39 4.121 -31.935 -3.839 1.00 0.00 N ATOM 617 CA ALA A 39 3.180 -31.809 -2.721 1.00 0.00 C ATOM 618 C ALA A 39 1.717 -32.042 -3.162 1.00 0.00 C ATOM 619 O ALA A 39 0.932 -32.621 -2.408 1.00 0.00 O ATOM 620 CB ALA A 39 3.356 -30.434 -2.049 1.00 0.00 C ATOM 0 H ALA A 39 4.547 -31.056 -4.133 1.00 0.00 H new ATOM 0 HA ALA A 39 3.407 -32.589 -1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.656 -30.343 -1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.376 -30.339 -1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.161 -29.646 -2.776 1.00 0.00 H new ATOM 626 N ARG A 40 1.324 -31.579 -4.363 1.00 1.58 N ATOM 627 CA ARG A 40 0.036 -31.959 -4.972 1.00 1.58 C ATOM 628 C ARG A 40 -0.029 -33.439 -5.437 1.00 1.58 C ATOM 629 O ARG A 40 -1.080 -34.071 -5.274 1.00 1.58 O ATOM 630 CB ARG A 40 -0.315 -31.018 -6.151 1.00 1.58 C ATOM 631 CG ARG A 40 -0.471 -29.530 -5.766 1.00 1.58 C ATOM 632 CD ARG A 40 -0.717 -28.686 -7.025 1.00 1.58 C ATOM 633 NE ARG A 40 -0.748 -27.260 -6.689 1.00 1.58 N ATOM 634 CZ ARG A 40 0.286 -26.469 -6.622 1.00 1.58 C ATOM 635 NH1 ARG A 40 1.502 -26.848 -6.599 1.00 1.58 N ATOM 636 NH2 ARG A 40 0.114 -25.213 -6.512 1.00 1.58 N ATOM 0 H ARG A 40 1.881 -30.941 -4.931 1.00 1.58 H new ATOM 0 HA ARG A 40 -0.704 -31.851 -4.179 1.00 1.58 H new ATOM 0 HB2 ARG A 40 0.463 -31.103 -6.910 1.00 1.58 H new ATOM 0 HB3 ARG A 40 -1.244 -31.360 -6.607 1.00 1.58 H new ATOM 0 HG2 ARG A 40 -1.301 -29.411 -5.070 1.00 1.58 H new ATOM 0 HG3 ARG A 40 0.426 -29.182 -5.254 1.00 1.58 H new ATOM 0 HD2 ARG A 40 0.068 -28.876 -7.757 1.00 1.58 H new ATOM 0 HD3 ARG A 40 -1.660 -28.977 -7.487 1.00 1.58 H new ATOM 0 HE ARG A 40 -1.660 -26.850 -6.490 1.00 1.58 H new ATOM 0 HH11 ARG A 40 1.727 -27.842 -6.634 1.00 1.58 H new ATOM 0 HH12 ARG A 40 2.251 -26.157 -6.545 1.00 1.58 H new ATOM 0 HH21 ARG A 40 -0.830 -24.829 -6.477 1.00 1.58 H new ATOM 0 HH22 ARG A 40 0.920 -24.591 -6.459 1.00 1.58 H new ATOM 650 N ILE A 41 1.017 -33.996 -6.081 1.00 0.15 N ATOM 651 CA ILE A 41 1.212 -35.443 -6.283 1.00 0.15 C ATOM 652 C ILE A 41 1.583 -36.183 -4.972 1.00 0.15 C ATOM 653 O ILE A 41 2.706 -36.522 -4.600 1.00 0.15 O ATOM 654 CB ILE A 41 2.148 -35.810 -7.481 1.00 0.15 C ATOM 655 CG1 ILE A 41 1.643 -35.255 -8.833 1.00 0.15 C ATOM 656 CG2 ILE A 41 2.273 -37.300 -7.657 1.00 0.15 C ATOM 657 CD1 ILE A 41 2.547 -34.124 -9.244 1.00 0.15 C ATOM 0 H ILE A 41 1.768 -33.436 -6.485 1.00 0.15 H new ATOM 0 HA ILE A 41 0.233 -35.817 -6.583 1.00 0.15 H new ATOM 0 HB ILE A 41 3.107 -35.359 -7.225 1.00 0.15 H new ATOM 0 HG12 ILE A 41 1.646 -36.039 -9.591 1.00 0.15 H new ATOM 0 HG13 ILE A 41 0.615 -34.905 -8.740 1.00 0.15 H new ATOM 0 HG21 ILE A 41 2.931 -37.513 -8.499 1.00 0.15 H new ATOM 0 HG22 ILE A 41 2.689 -37.740 -6.751 1.00 0.15 H new ATOM 0 HG23 ILE A 41 1.289 -37.728 -7.849 1.00 0.15 H new ATOM 0 HD11 ILE A 41 2.209 -33.716 -10.197 1.00 0.15 H new ATOM 0 HD12 ILE A 41 2.520 -33.342 -8.485 1.00 0.15 H new ATOM 0 HD13 ILE A 41 3.567 -34.493 -9.348 1.00 0.15 H new ATOM 669 N LYS A 42 0.457 -36.437 -4.329 1.00 1.44 N ATOM 670 CA LYS A 42 0.328 -37.030 -2.994 1.00 1.44 C ATOM 671 C LYS A 42 -0.042 -38.532 -2.977 1.00 1.44 C ATOM 672 O LYS A 42 -0.440 -39.062 -1.938 1.00 1.44 O ATOM 673 CB LYS A 42 -0.687 -36.171 -2.184 1.00 1.44 C ATOM 674 CG LYS A 42 -2.080 -36.061 -2.849 1.00 1.44 C ATOM 675 CD LYS A 42 -2.976 -35.005 -2.173 1.00 1.44 C ATOM 676 CE LYS A 42 -4.022 -34.463 -3.152 1.00 1.44 C ATOM 677 NZ LYS A 42 -3.366 -33.509 -4.043 1.00 1.44 N ATOM 0 H LYS A 42 -0.451 -36.225 -4.743 1.00 1.44 H new ATOM 0 HA LYS A 42 1.314 -37.012 -2.529 1.00 1.44 H new ATOM 0 HB2 LYS A 42 -0.802 -36.602 -1.190 1.00 1.44 H new ATOM 0 HB3 LYS A 42 -0.277 -35.170 -2.052 1.00 1.44 H new ATOM 0 HG2 LYS A 42 -1.957 -35.808 -3.902 1.00 1.44 H new ATOM 0 HG3 LYS A 42 -2.575 -37.031 -2.810 1.00 1.44 H new ATOM 0 HD2 LYS A 42 -3.475 -35.445 -1.310 1.00 1.44 H new ATOM 0 HD3 LYS A 42 -2.361 -34.185 -1.802 1.00 1.44 H new ATOM 0 HE2 LYS A 42 -4.463 -35.278 -3.726 1.00 1.44 H new ATOM 0 HE3 LYS A 42 -4.835 -33.979 -2.610 1.00 1.44 H new ATOM 0 HZ1 LYS A 42 -3.947 -33.374 -4.895 1.00 1.44 H new ATOM 0 HZ2 LYS A 42 -3.252 -32.599 -3.553 1.00 1.44 H new ATOM 0 HZ3 LYS A 42 -2.431 -33.875 -4.316 1.00 1.44 H new ATOM 691 N ILE A 43 0.120 -39.237 -4.108 1.00 0.42 N ATOM 692 CA ILE A 43 -0.383 -40.606 -4.314 1.00 0.42 C ATOM 693 C ILE A 43 0.275 -41.654 -3.386 1.00 0.42 C ATOM 694 O ILE A 43 -0.398 -42.582 -2.927 1.00 0.42 O ATOM 695 CB ILE A 43 -0.254 -40.974 -5.838 1.00 0.42 C ATOM 696 CG1 ILE A 43 -0.980 -39.981 -6.802 1.00 0.42 C ATOM 697 CG2 ILE A 43 -0.664 -42.427 -6.192 1.00 0.42 C ATOM 698 CD1 ILE A 43 -2.509 -39.811 -6.610 1.00 0.42 C ATOM 0 H ILE A 43 0.613 -38.865 -4.920 1.00 0.42 H new ATOM 0 HA ILE A 43 -1.435 -40.628 -4.030 1.00 0.42 H new ATOM 0 HB ILE A 43 0.820 -40.884 -6.002 1.00 0.42 H new ATOM 0 HG12 ILE A 43 -0.513 -39.002 -6.695 1.00 0.42 H new ATOM 0 HG13 ILE A 43 -0.801 -40.309 -7.826 1.00 0.42 H new ATOM 0 HG21 ILE A 43 -0.542 -42.589 -7.263 1.00 0.42 H new ATOM 0 HG22 ILE A 43 -0.032 -43.127 -5.645 1.00 0.42 H new ATOM 0 HG23 ILE A 43 -1.706 -42.588 -5.917 1.00 0.42 H new ATOM 0 HD11 ILE A 43 -2.890 -39.096 -7.340 1.00 0.42 H new ATOM 0 HD12 ILE A 43 -3.003 -40.772 -6.752 1.00 0.42 H new ATOM 0 HD13 ILE A 43 -2.711 -39.444 -5.604 1.00 0.42 H new ATOM 710 N GLY A 44 1.571 -41.516 -3.072 1.00 0.00 N ATOM 711 CA GLY A 44 2.236 -42.382 -2.089 1.00 0.00 C ATOM 712 C GLY A 44 3.672 -41.961 -1.704 1.00 0.00 C ATOM 713 O GLY A 44 4.289 -41.218 -2.478 1.00 0.00 O ATOM 0 H GLY A 44 2.181 -40.811 -3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.628 -42.411 -1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.266 -43.397 -2.485 1.00 0.00 H new ATOM 717 N PRO A 45 4.255 -42.402 -0.555 1.00 0.00 N ATOM 718 CA PRO A 45 5.665 -42.167 -0.176 1.00 0.00 C ATOM 719 C PRO A 45 6.706 -42.564 -1.242 1.00 0.00 C ATOM 720 O PRO A 45 7.588 -41.770 -1.578 1.00 0.00 O ATOM 721 CB PRO A 45 5.838 -43.006 1.103 1.00 0.00 C ATOM 722 CG PRO A 45 4.469 -42.903 1.734 1.00 0.00 C ATOM 723 CD PRO A 45 3.542 -43.083 0.534 1.00 0.00 C ATOM 0 HA PRO A 45 5.849 -41.100 -0.046 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.108 -44.038 0.880 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.617 -42.605 1.751 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.311 -43.673 2.489 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.318 -41.941 2.223 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.377 -44.137 0.309 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.563 -42.638 0.713 1.00 0.00 H new ATOM 731 N LYS A 46 6.578 -43.785 -1.787 1.00 0.93 N ATOM 732 CA LYS A 46 7.373 -44.253 -2.925 1.00 0.93 C ATOM 733 C LYS A 46 7.188 -43.414 -4.202 1.00 0.93 C ATOM 734 O LYS A 46 8.154 -43.221 -4.943 1.00 0.93 O ATOM 735 CB LYS A 46 7.078 -45.741 -3.221 1.00 0.93 C ATOM 736 CG LYS A 46 7.847 -46.694 -2.288 1.00 0.93 C ATOM 737 CD LYS A 46 7.792 -48.135 -2.843 1.00 0.93 C ATOM 738 CE LYS A 46 8.866 -49.073 -2.283 1.00 0.93 C ATOM 739 NZ LYS A 46 10.181 -48.582 -2.690 1.00 0.93 N ATOM 0 H LYS A 46 5.913 -44.478 -1.444 1.00 0.93 H new ATOM 0 HA LYS A 46 8.415 -44.133 -2.627 1.00 0.93 H new ATOM 0 HB2 LYS A 46 6.008 -45.923 -3.118 1.00 0.93 H new ATOM 0 HB3 LYS A 46 7.341 -45.961 -4.256 1.00 0.93 H new ATOM 0 HG2 LYS A 46 8.884 -46.370 -2.197 1.00 0.93 H new ATOM 0 HG3 LYS A 46 7.415 -46.664 -1.288 1.00 0.93 H new ATOM 0 HD2 LYS A 46 6.811 -48.557 -2.627 1.00 0.93 H new ATOM 0 HD3 LYS A 46 7.891 -48.097 -3.928 1.00 0.93 H new ATOM 0 HE2 LYS A 46 8.799 -49.116 -1.196 1.00 0.93 H new ATOM 0 HE3 LYS A 46 8.711 -50.087 -2.652 1.00 0.93 H new ATOM 0 HZ1 LYS A 46 10.837 -49.384 -2.785 1.00 0.93 H new ATOM 0 HZ2 LYS A 46 10.101 -48.090 -3.603 1.00 0.93 H new ATOM 0 HZ3 LYS A 46 10.543 -47.922 -1.972 1.00 0.93 H new ATOM 753 N CYS A 47 5.970 -42.895 -4.426 1.00 0.22 N ATOM 754 CA CYS A 47 5.660 -42.000 -5.539 1.00 0.22 C ATOM 755 C CYS A 47 6.427 -40.674 -5.421 1.00 0.22 C ATOM 756 O CYS A 47 7.148 -40.344 -6.365 1.00 0.22 O ATOM 757 CB CYS A 47 4.128 -41.780 -5.628 1.00 0.22 C ATOM 758 SG CYS A 47 3.570 -40.601 -6.887 1.00 0.22 S ATOM 0 H CYS A 47 5.167 -43.091 -3.829 1.00 0.22 H new ATOM 0 HA CYS A 47 5.989 -42.467 -6.467 1.00 0.22 H new ATOM 0 HB2 CYS A 47 3.653 -42.742 -5.822 1.00 0.22 H new ATOM 0 HB3 CYS A 47 3.772 -41.439 -4.656 1.00 0.22 H new ATOM 763 N VAL A 48 6.298 -39.919 -4.310 1.00 0.08 N ATOM 764 CA VAL A 48 7.170 -38.767 -4.041 1.00 0.08 C ATOM 765 C VAL A 48 8.677 -39.061 -4.146 1.00 0.08 C ATOM 766 O VAL A 48 9.386 -38.265 -4.758 1.00 0.08 O ATOM 767 CB VAL A 48 6.900 -38.038 -2.680 1.00 0.08 C ATOM 768 CG1 VAL A 48 6.628 -36.576 -2.971 1.00 0.08 C ATOM 769 CG2 VAL A 48 5.724 -38.537 -1.847 1.00 0.08 C ATOM 0 H VAL A 48 5.598 -40.090 -3.588 1.00 0.08 H new ATOM 0 HA VAL A 48 6.889 -38.096 -4.853 1.00 0.08 H new ATOM 0 HB VAL A 48 7.794 -38.236 -2.089 1.00 0.08 H new ATOM 0 HG11 VAL A 48 6.437 -36.048 -2.036 1.00 0.08 H new ATOM 0 HG12 VAL A 48 7.494 -36.136 -3.466 1.00 0.08 H new ATOM 0 HG13 VAL A 48 5.757 -36.490 -3.621 1.00 0.08 H new ATOM 0 HG21 VAL A 48 5.649 -37.948 -0.933 1.00 0.08 H new ATOM 0 HG22 VAL A 48 4.803 -38.435 -2.421 1.00 0.08 H new ATOM 0 HG23 VAL A 48 5.878 -39.585 -1.591 1.00 0.08 H new ATOM 779 N LYS A 49 9.179 -40.170 -3.575 1.00 1.40 N ATOM 780 CA LYS A 49 10.587 -40.586 -3.731 1.00 1.40 C ATOM 781 C LYS A 49 11.042 -40.819 -5.192 1.00 1.40 C ATOM 782 O LYS A 49 12.049 -40.231 -5.608 1.00 1.40 O ATOM 783 CB LYS A 49 10.881 -41.829 -2.856 1.00 1.40 C ATOM 784 CG LYS A 49 10.931 -41.483 -1.352 1.00 1.40 C ATOM 785 CD LYS A 49 11.244 -42.718 -0.488 1.00 1.40 C ATOM 786 CE LYS A 49 11.288 -42.340 0.990 1.00 1.40 C ATOM 787 NZ LYS A 49 11.581 -43.546 1.751 1.00 1.40 N ATOM 0 H LYS A 49 8.625 -40.801 -2.995 1.00 1.40 H new ATOM 0 HA LYS A 49 11.180 -39.739 -3.386 1.00 1.40 H new ATOM 0 HB2 LYS A 49 10.113 -42.583 -3.029 1.00 1.40 H new ATOM 0 HB3 LYS A 49 11.832 -42.268 -3.158 1.00 1.40 H new ATOM 0 HG2 LYS A 49 11.689 -40.719 -1.181 1.00 1.40 H new ATOM 0 HG3 LYS A 49 9.975 -41.058 -1.045 1.00 1.40 H new ATOM 0 HD2 LYS A 49 10.486 -43.484 -0.651 1.00 1.40 H new ATOM 0 HD3 LYS A 49 12.200 -43.146 -0.788 1.00 1.40 H new ATOM 0 HE2 LYS A 49 12.051 -41.582 1.168 1.00 1.40 H new ATOM 0 HE3 LYS A 49 10.335 -41.913 1.303 1.00 1.40 H new ATOM 0 HZ1 LYS A 49 11.617 -43.317 2.765 1.00 1.40 H new ATOM 0 HZ2 LYS A 49 10.837 -44.252 1.582 1.00 1.40 H new ATOM 0 HZ3 LYS A 49 12.499 -43.932 1.451 1.00 1.40 H new ATOM 801 N ALA A 50 10.309 -41.642 -5.969 1.00 0.00 N ATOM 802 CA ALA A 50 10.505 -41.813 -7.419 1.00 0.00 C ATOM 803 C ALA A 50 10.493 -40.443 -8.139 1.00 0.00 C ATOM 804 O ALA A 50 11.467 -40.092 -8.811 1.00 0.00 O ATOM 805 CB ALA A 50 9.362 -42.739 -7.922 1.00 0.00 C ATOM 0 H ALA A 50 9.552 -42.215 -5.598 1.00 0.00 H new ATOM 0 HA ALA A 50 11.474 -42.262 -7.635 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.466 -42.895 -8.996 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.419 -43.699 -7.409 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.399 -42.273 -7.715 1.00 0.00 H new ATOM 811 N PHE A 51 9.440 -39.638 -7.891 1.00 0.20 N ATOM 812 CA PHE A 51 9.262 -38.286 -8.439 1.00 0.20 C ATOM 813 C PHE A 51 10.461 -37.366 -8.141 1.00 0.20 C ATOM 814 O PHE A 51 11.029 -36.790 -9.068 1.00 0.20 O ATOM 815 CB PHE A 51 7.965 -37.689 -7.802 1.00 0.20 C ATOM 816 CG PHE A 51 7.317 -36.557 -8.611 1.00 0.20 C ATOM 817 CD1 PHE A 51 7.954 -35.352 -8.866 1.00 0.20 C ATOM 818 CD2 PHE A 51 6.063 -36.731 -9.168 1.00 0.20 C ATOM 819 CE1 PHE A 51 7.380 -34.388 -9.671 1.00 0.20 C ATOM 820 CE2 PHE A 51 5.486 -35.781 -9.964 1.00 0.20 C ATOM 821 CZ PHE A 51 6.144 -34.602 -10.233 1.00 0.20 C ATOM 0 H PHE A 51 8.670 -39.923 -7.286 1.00 0.20 H new ATOM 0 HA PHE A 51 9.184 -38.352 -9.524 1.00 0.20 H new ATOM 0 HB2 PHE A 51 7.237 -38.490 -7.675 1.00 0.20 H new ATOM 0 HB3 PHE A 51 8.204 -37.315 -6.806 1.00 0.20 H new ATOM 0 HD1 PHE A 51 8.921 -35.163 -8.425 1.00 0.20 H new ATOM 0 HD2 PHE A 51 5.523 -37.645 -8.968 1.00 0.20 H new ATOM 0 HE1 PHE A 51 7.904 -33.463 -9.860 1.00 0.20 H new ATOM 0 HE2 PHE A 51 4.507 -35.957 -10.385 1.00 0.20 H new ATOM 0 HZ PHE A 51 5.696 -33.858 -10.875 1.00 0.20 H new ATOM 831 N LYS A 52 10.843 -37.240 -6.861 1.00 1.29 N ATOM 832 CA LYS A 52 11.932 -36.377 -6.403 1.00 1.29 C ATOM 833 C LYS A 52 13.303 -36.755 -6.997 1.00 1.29 C ATOM 834 O LYS A 52 13.988 -35.863 -7.508 1.00 1.29 O ATOM 835 CB LYS A 52 11.927 -36.443 -4.852 1.00 1.29 C ATOM 836 CG LYS A 52 12.969 -35.615 -4.071 1.00 1.29 C ATOM 837 CD LYS A 52 12.679 -35.758 -2.559 1.00 1.29 C ATOM 838 CE LYS A 52 13.706 -35.142 -1.603 1.00 1.29 C ATOM 839 NZ LYS A 52 13.726 -33.686 -1.719 1.00 1.29 N ATOM 0 H LYS A 52 10.390 -37.749 -6.102 1.00 1.29 H new ATOM 0 HA LYS A 52 11.767 -35.358 -6.752 1.00 1.29 H new ATOM 0 HB2 LYS A 52 10.938 -36.136 -4.511 1.00 1.29 H new ATOM 0 HB3 LYS A 52 12.053 -37.487 -4.565 1.00 1.29 H new ATOM 0 HG2 LYS A 52 13.976 -35.964 -4.298 1.00 1.29 H new ATOM 0 HG3 LYS A 52 12.920 -34.567 -4.368 1.00 1.29 H new ATOM 0 HD2 LYS A 52 11.708 -35.306 -2.354 1.00 1.29 H new ATOM 0 HD3 LYS A 52 12.592 -36.820 -2.328 1.00 1.29 H new ATOM 0 HE2 LYS A 52 13.468 -35.425 -0.578 1.00 1.29 H new ATOM 0 HE3 LYS A 52 14.696 -35.541 -1.822 1.00 1.29 H new ATOM 0 HZ1 LYS A 52 14.122 -33.274 -0.850 1.00 1.29 H new ATOM 0 HZ2 LYS A 52 14.314 -33.411 -2.532 1.00 1.29 H new ATOM 0 HZ3 LYS A 52 12.757 -33.335 -1.858 1.00 1.29 H new ATOM 853 N ASP A 53 13.707 -38.043 -7.003 1.00 0.63 N ATOM 854 CA ASP A 53 15.003 -38.427 -7.584 1.00 0.63 C ATOM 855 C ASP A 53 15.057 -38.282 -9.121 1.00 0.63 C ATOM 856 O ASP A 53 16.041 -37.751 -9.667 1.00 0.63 O ATOM 857 CB ASP A 53 15.400 -39.843 -7.107 1.00 0.63 C ATOM 858 CG ASP A 53 15.761 -39.827 -5.624 1.00 0.63 C ATOM 859 OD1 ASP A 53 16.801 -39.280 -5.273 1.00 0.63 O ATOM 860 OD2 ASP A 53 15.012 -40.389 -4.823 1.00 0.63 O ATOM 0 H ASP A 53 13.165 -38.817 -6.620 1.00 0.63 H new ATOM 0 HA ASP A 53 15.746 -37.719 -7.216 1.00 0.63 H new ATOM 0 HB2 ASP A 53 14.576 -40.535 -7.279 1.00 0.63 H new ATOM 0 HB3 ASP A 53 16.247 -40.205 -7.689 1.00 0.63 H new ATOM 865 N CYS A 54 13.981 -38.719 -9.803 1.00 0.07 N ATOM 866 CA CYS A 54 13.791 -38.443 -11.228 1.00 0.07 C ATOM 867 C CYS A 54 13.767 -36.936 -11.552 1.00 0.07 C ATOM 868 O CYS A 54 14.461 -36.560 -12.496 1.00 0.07 O ATOM 869 CB CYS A 54 12.524 -39.148 -11.755 1.00 0.07 C ATOM 870 SG CYS A 54 12.737 -40.789 -12.509 1.00 0.07 S ATOM 0 H CYS A 54 13.231 -39.267 -9.382 1.00 0.07 H new ATOM 0 HA CYS A 54 14.659 -38.851 -11.746 1.00 0.07 H new ATOM 0 HB2 CYS A 54 11.823 -39.246 -10.926 1.00 0.07 H new ATOM 0 HB3 CYS A 54 12.057 -38.496 -12.493 1.00 0.07 H new ATOM 875 N CYS A 55 13.046 -36.070 -10.806 1.00 0.29 N ATOM 876 CA CYS A 55 13.110 -34.610 -10.982 1.00 0.29 C ATOM 877 C CYS A 55 14.534 -34.053 -10.810 1.00 0.29 C ATOM 878 O CYS A 55 14.942 -33.258 -11.656 1.00 0.29 O ATOM 879 CB CYS A 55 12.110 -33.846 -10.060 1.00 0.29 C ATOM 880 SG CYS A 55 12.155 -32.045 -10.311 1.00 0.29 S ATOM 0 H CYS A 55 12.407 -36.366 -10.069 1.00 0.29 H new ATOM 0 HA CYS A 55 12.808 -34.434 -12.014 1.00 0.29 H new ATOM 0 HB2 CYS A 55 11.100 -34.209 -10.248 1.00 0.29 H new ATOM 0 HB3 CYS A 55 12.340 -34.069 -9.018 1.00 0.29 H new ATOM 885 N TYR A 56 15.311 -34.440 -9.785 1.00 1.85 N ATOM 886 CA TYR A 56 16.698 -33.980 -9.636 1.00 1.85 C ATOM 887 C TYR A 56 17.610 -34.348 -10.820 1.00 1.85 C ATOM 888 O TYR A 56 18.328 -33.466 -11.300 1.00 1.85 O ATOM 889 CB TYR A 56 17.308 -34.472 -8.300 1.00 1.85 C ATOM 890 CG TYR A 56 16.655 -33.886 -7.030 1.00 1.85 C ATOM 891 CD1 TYR A 56 15.804 -32.784 -7.011 1.00 1.85 C ATOM 892 CD2 TYR A 56 16.927 -34.481 -5.809 1.00 1.85 C ATOM 893 CE1 TYR A 56 15.255 -32.310 -5.839 1.00 1.85 C ATOM 894 CE2 TYR A 56 16.384 -34.011 -4.632 1.00 1.85 C ATOM 895 CZ TYR A 56 15.546 -32.929 -4.652 1.00 1.85 C ATOM 896 OH TYR A 56 14.984 -32.492 -3.495 1.00 1.85 O ATOM 0 H TYR A 56 15.000 -35.072 -9.047 1.00 1.85 H new ATOM 0 HA TYR A 56 16.645 -32.891 -9.626 1.00 1.85 H new ATOM 0 HB2 TYR A 56 17.232 -35.559 -8.261 1.00 1.85 H new ATOM 0 HB3 TYR A 56 18.370 -34.227 -8.291 1.00 1.85 H new ATOM 0 HD1 TYR A 56 15.568 -32.287 -7.940 1.00 1.85 H new ATOM 0 HD2 TYR A 56 17.584 -35.338 -5.778 1.00 1.85 H new ATOM 0 HE1 TYR A 56 14.598 -31.453 -5.856 1.00 1.85 H new ATOM 0 HE2 TYR A 56 16.619 -34.496 -3.696 1.00 1.85 H new ATOM 0 HH TYR A 56 14.435 -31.700 -3.676 1.00 1.85 H new ATOM 906 N ILE A 57 17.602 -35.595 -11.323 1.00 0.63 N ATOM 907 CA ILE A 57 18.369 -35.926 -12.543 1.00 0.63 C ATOM 908 C ILE A 57 17.858 -35.196 -13.802 1.00 0.63 C ATOM 909 O ILE A 57 18.652 -34.671 -14.589 1.00 0.63 O ATOM 910 CB ILE A 57 18.487 -37.474 -12.727 1.00 0.63 C ATOM 911 CG1 ILE A 57 19.085 -38.187 -11.477 1.00 0.63 C ATOM 912 CG2 ILE A 57 19.280 -37.905 -13.988 1.00 0.63 C ATOM 913 CD1 ILE A 57 20.339 -37.535 -10.870 1.00 0.63 C ATOM 0 H ILE A 57 17.087 -36.376 -10.917 1.00 0.63 H new ATOM 0 HA ILE A 57 19.380 -35.544 -12.401 1.00 0.63 H new ATOM 0 HB ILE A 57 17.454 -37.795 -12.861 1.00 0.63 H new ATOM 0 HG12 ILE A 57 18.315 -38.236 -10.707 1.00 0.63 H new ATOM 0 HG13 ILE A 57 19.328 -39.214 -11.750 1.00 0.63 H new ATOM 0 HG21 ILE A 57 19.315 -38.993 -14.041 1.00 0.63 H new ATOM 0 HG22 ILE A 57 18.788 -37.514 -14.879 1.00 0.63 H new ATOM 0 HG23 ILE A 57 20.295 -37.511 -13.932 1.00 0.63 H new ATOM 0 HD11 ILE A 57 20.668 -38.114 -10.007 1.00 0.63 H new ATOM 0 HD12 ILE A 57 21.134 -37.511 -11.616 1.00 0.63 H new ATOM 0 HD13 ILE A 57 20.105 -36.518 -10.557 1.00 0.63 H new ATOM 925 N ALA A 58 16.531 -35.122 -13.949 1.00 0.00 N ATOM 926 CA ALA A 58 15.869 -34.369 -15.023 1.00 0.00 C ATOM 927 C ALA A 58 16.180 -32.855 -15.005 1.00 0.00 C ATOM 928 O ALA A 58 16.449 -32.283 -16.063 1.00 0.00 O ATOM 929 CB ALA A 58 14.369 -34.631 -14.965 1.00 0.00 C ATOM 0 H ALA A 58 15.878 -35.588 -13.319 1.00 0.00 H new ATOM 0 HA ALA A 58 16.273 -34.727 -15.970 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.872 -34.075 -15.760 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.180 -35.697 -15.095 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.981 -34.309 -13.999 1.00 0.00 H new ATOM 935 N ASN A 59 16.163 -32.198 -13.833 1.00 0.87 N ATOM 936 CA ASN A 59 16.585 -30.804 -13.658 1.00 0.87 C ATOM 937 C ASN A 59 18.068 -30.581 -14.012 1.00 0.87 C ATOM 938 O ASN A 59 18.386 -29.627 -14.727 1.00 0.87 O ATOM 939 CB ASN A 59 16.291 -30.375 -12.194 1.00 0.87 C ATOM 940 CG ASN A 59 16.466 -28.872 -11.986 1.00 0.87 C ATOM 941 OD1 ASN A 59 15.544 -28.092 -12.207 1.00 0.87 O ATOM 942 ND2 ASN A 59 17.620 -28.396 -11.557 1.00 0.87 N ATOM 0 H ASN A 59 15.849 -32.633 -12.965 1.00 0.87 H new ATOM 0 HA ASN A 59 16.017 -30.185 -14.352 1.00 0.87 H new ATOM 0 HB2 ASN A 59 15.272 -30.660 -11.932 1.00 0.87 H new ATOM 0 HB3 ASN A 59 16.956 -30.913 -11.519 1.00 0.87 H new ATOM 0 HD21 ASN A 59 17.736 -27.393 -11.414 1.00 0.87 H new ATOM 0 HD22 ASN A 59 18.395 -29.031 -11.369 1.00 0.87 H new ATOM 949 N GLN A 60 18.973 -31.448 -13.533 1.00 1.17 N ATOM 950 CA GLN A 60 20.396 -31.354 -13.862 1.00 1.17 C ATOM 951 C GLN A 60 20.735 -31.672 -15.333 1.00 1.17 C ATOM 952 O GLN A 60 21.677 -31.066 -15.852 1.00 1.17 O ATOM 953 CB GLN A 60 21.248 -32.158 -12.842 1.00 1.17 C ATOM 954 CG GLN A 60 21.622 -31.335 -11.564 1.00 1.17 C ATOM 955 CD GLN A 60 20.433 -30.984 -10.660 1.00 1.17 C ATOM 956 OE1 GLN A 60 19.736 -29.990 -10.836 1.00 1.17 O ATOM 957 NE2 GLN A 60 20.157 -31.765 -9.634 1.00 1.17 N ATOM 0 H GLN A 60 18.739 -32.224 -12.914 1.00 1.17 H new ATOM 0 HA GLN A 60 20.668 -30.303 -13.766 1.00 1.17 H new ATOM 0 HB2 GLN A 60 20.698 -33.050 -12.543 1.00 1.17 H new ATOM 0 HB3 GLN A 60 22.163 -32.495 -13.329 1.00 1.17 H new ATOM 0 HG2 GLN A 60 22.349 -31.902 -10.982 1.00 1.17 H new ATOM 0 HG3 GLN A 60 22.112 -30.412 -11.873 1.00 1.17 H new ATOM 0 HE21 GLN A 60 20.719 -32.599 -9.462 1.00 1.17 H new ATOM 0 HE22 GLN A 60 19.382 -31.535 -9.012 1.00 1.17 H new ATOM 966 N VAL A 61 20.039 -32.576 -16.048 1.00 0.41 N ATOM 967 CA VAL A 61 20.152 -32.628 -17.516 1.00 0.41 C ATOM 968 C VAL A 61 19.449 -31.453 -18.229 1.00 0.41 C ATOM 969 O VAL A 61 19.951 -31.027 -19.270 1.00 0.41 O ATOM 970 CB VAL A 61 19.817 -34.007 -18.168 1.00 0.41 C ATOM 971 CG1 VAL A 61 20.741 -35.119 -17.636 1.00 0.41 C ATOM 972 CG2 VAL A 61 18.357 -34.453 -18.030 1.00 0.41 C ATOM 0 H VAL A 61 19.406 -33.266 -15.643 1.00 0.41 H new ATOM 0 HA VAL A 61 21.222 -32.504 -17.684 1.00 0.41 H new ATOM 0 HB VAL A 61 19.989 -33.845 -19.232 1.00 0.41 H new ATOM 0 HG11 VAL A 61 20.481 -36.066 -18.110 1.00 0.41 H new ATOM 0 HG12 VAL A 61 21.778 -34.871 -17.865 1.00 0.41 H new ATOM 0 HG13 VAL A 61 20.619 -35.208 -16.557 1.00 0.41 H new ATOM 0 HG21 VAL A 61 18.225 -35.421 -18.514 1.00 0.41 H new ATOM 0 HG22 VAL A 61 18.101 -34.538 -16.974 1.00 0.41 H new ATOM 0 HG23 VAL A 61 17.706 -33.718 -18.504 1.00 0.41 H new ATOM 982 N ARG A 62 18.329 -30.894 -17.729 1.00 1.96 N ATOM 983 CA ARG A 62 17.741 -29.651 -18.257 1.00 1.96 C ATOM 984 C ARG A 62 18.647 -28.411 -18.082 1.00 1.96 C ATOM 985 O ARG A 62 18.675 -27.543 -18.957 1.00 1.96 O ATOM 986 CB ARG A 62 16.339 -29.426 -17.626 1.00 1.96 C ATOM 987 CG ARG A 62 15.505 -28.243 -18.200 1.00 1.96 C ATOM 988 CD ARG A 62 15.111 -28.381 -19.683 1.00 1.96 C ATOM 989 NE ARG A 62 14.203 -29.520 -19.833 1.00 1.96 N ATOM 990 CZ ARG A 62 14.347 -30.524 -20.648 1.00 1.96 C ATOM 991 NH1 ARG A 62 15.361 -30.762 -21.398 1.00 1.96 N ATOM 992 NH2 ARG A 62 13.383 -31.356 -20.658 1.00 1.96 N ATOM 0 H ARG A 62 17.808 -31.293 -16.948 1.00 1.96 H new ATOM 0 HA ARG A 62 17.639 -29.778 -19.335 1.00 1.96 H new ATOM 0 HB2 ARG A 62 15.760 -30.342 -17.744 1.00 1.96 H new ATOM 0 HB3 ARG A 62 16.467 -29.266 -16.555 1.00 1.96 H new ATOM 0 HG2 ARG A 62 14.597 -28.138 -17.607 1.00 1.96 H new ATOM 0 HG3 ARG A 62 16.075 -27.323 -18.076 1.00 1.96 H new ATOM 0 HD2 ARG A 62 14.629 -27.467 -20.031 1.00 1.96 H new ATOM 0 HD3 ARG A 62 16.000 -28.526 -20.297 1.00 1.96 H new ATOM 0 HE ARG A 62 13.374 -29.527 -19.239 1.00 1.96 H new ATOM 0 HH11 ARG A 62 16.161 -30.129 -21.390 1.00 1.96 H new ATOM 0 HH12 ARG A 62 15.367 -31.584 -22.002 1.00 1.96 H new ATOM 0 HH21 ARG A 62 12.575 -31.207 -20.054 1.00 1.96 H new ATOM 0 HH22 ARG A 62 13.419 -32.171 -21.270 1.00 1.96 H new ATOM 1006 N ALA A 63 19.390 -28.300 -16.968 1.00 0.00 N ATOM 1007 CA ALA A 63 20.461 -27.306 -16.810 1.00 0.00 C ATOM 1008 C ALA A 63 21.595 -27.422 -17.858 1.00 0.00 C ATOM 1009 O ALA A 63 22.283 -26.440 -18.146 1.00 0.00 O ATOM 1010 CB ALA A 63 21.028 -27.434 -15.382 1.00 0.00 C ATOM 0 H ALA A 63 19.263 -28.898 -16.152 1.00 0.00 H new ATOM 0 HA ALA A 63 20.023 -26.322 -16.977 1.00 0.00 H new ATOM 0 HB1 ALA A 63 21.826 -26.705 -15.241 1.00 0.00 H new ATOM 0 HB2 ALA A 63 20.235 -27.249 -14.658 1.00 0.00 H new ATOM 0 HB3 ALA A 63 21.425 -28.439 -15.237 1.00 0.00 H new ATOM 1016 N GLU A 64 21.813 -28.623 -18.411 1.00 1.19 N ATOM 1017 CA GLU A 64 22.698 -28.846 -19.554 1.00 1.19 C ATOM 1018 C GLU A 64 21.956 -28.690 -20.903 1.00 1.19 C ATOM 1019 O GLU A 64 22.430 -27.948 -21.764 1.00 1.19 O ATOM 1020 CB GLU A 64 23.360 -30.242 -19.350 1.00 1.19 C ATOM 1021 CG GLU A 64 24.458 -30.676 -20.381 1.00 1.19 C ATOM 1022 CD GLU A 64 23.906 -31.393 -21.618 1.00 1.19 C ATOM 1023 OE1 GLU A 64 23.272 -32.439 -21.473 1.00 1.19 O ATOM 1024 OE2 GLU A 64 24.118 -30.904 -22.723 1.00 1.19 O ATOM 0 H GLU A 64 21.371 -29.477 -18.069 1.00 1.19 H new ATOM 0 HA GLU A 64 23.478 -28.086 -19.602 1.00 1.19 H new ATOM 0 HB2 GLU A 64 23.805 -30.262 -18.355 1.00 1.19 H new ATOM 0 HB3 GLU A 64 22.571 -30.994 -19.361 1.00 1.19 H new ATOM 0 HG2 GLU A 64 25.009 -29.792 -20.702 1.00 1.19 H new ATOM 0 HG3 GLU A 64 25.171 -31.332 -19.882 1.00 1.19 H new ATOM 1031 N GLN A 65 20.809 -29.347 -21.134 1.00 1.27 N ATOM 1032 CA GLN A 65 20.085 -29.250 -22.411 1.00 1.27 C ATOM 1033 C GLN A 65 18.577 -28.904 -22.307 1.00 1.27 C ATOM 1034 O GLN A 65 17.814 -29.553 -21.582 1.00 1.27 O ATOM 1035 CB GLN A 65 20.347 -30.535 -23.263 1.00 1.27 C ATOM 1036 CG GLN A 65 19.920 -31.883 -22.606 1.00 1.27 C ATOM 1037 CD GLN A 65 20.349 -33.081 -23.451 1.00 1.27 C ATOM 1038 OE1 GLN A 65 19.599 -33.592 -24.273 1.00 1.27 O ATOM 1039 NE2 GLN A 65 21.555 -33.588 -23.289 1.00 1.27 N ATOM 0 H GLN A 65 20.361 -29.955 -20.448 1.00 1.27 H new ATOM 0 HA GLN A 65 20.495 -28.379 -22.923 1.00 1.27 H new ATOM 0 HB2 GLN A 65 19.821 -30.432 -24.212 1.00 1.27 H new ATOM 0 HB3 GLN A 65 21.411 -30.585 -23.492 1.00 1.27 H new ATOM 0 HG2 GLN A 65 20.362 -31.961 -21.613 1.00 1.27 H new ATOM 0 HG3 GLN A 65 18.838 -31.898 -22.475 1.00 1.27 H new ATOM 0 HE21 GLN A 65 22.194 -33.176 -22.609 1.00 1.27 H new ATOM 0 HE22 GLN A 65 21.849 -34.392 -23.844 1.00 1.27 H new ATOM 1048 N SER A 66 18.160 -27.967 -22.983 1.00 1.27 N TER 1049 SER A 66