USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 580 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 7 THR OG1 : rot -111:sc= 1.29 USER MOD Set 1.2: A 65 TYR OH : rot 165:sc= 1.56 USER MOD Set 2.1: A 39 ASN : amide:sc= 1.16 K(o=1.2,f=-2.4!) USER MOD Set 2.2: A 41 ASN : amide:sc= 0.0242 K(o=1.2,f=-0.015!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= -0.409 (180deg=-0.645) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.391 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -36:sc= 1.24 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 20 GLN : amide:sc= 0.199 X(o=0.2,f=-0.11) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -56:sc= 0.123 USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= -0.0484 (180deg=-0.248) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.25) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= 1.26 (180deg=0.885) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 45:sc= 0.00325 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -90:sc= 0.481 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.574 X(o=-0.57,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.040 3.835 14.970 1.00 0.00 N ATOM 2 CA GLY A 1 15.662 3.121 13.745 1.00 0.00 C ATOM 3 C GLY A 1 15.342 4.111 12.644 1.00 0.00 C ATOM 4 O GLY A 1 14.422 4.916 12.790 1.00 0.00 O ATOM 0 H1 GLY A 1 16.258 3.148 15.719 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.878 4.422 14.785 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.252 4.442 15.275 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.475 2.466 13.431 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.797 2.486 13.937 1.00 0.00 H new ATOM 8 N MET A 2 16.100 4.061 11.550 1.00 0.00 N ATOM 9 CA MET A 2 15.888 4.836 10.332 1.00 0.00 C ATOM 10 C MET A 2 15.946 3.902 9.113 1.00 0.00 C ATOM 11 O MET A 2 16.098 4.362 7.981 1.00 0.00 O ATOM 12 CB MET A 2 16.909 5.986 10.214 1.00 0.00 C ATOM 13 CG MET A 2 17.032 6.918 11.429 1.00 0.00 C ATOM 14 SD MET A 2 18.135 6.323 12.742 1.00 0.00 S ATOM 15 CE MET A 2 18.251 7.809 13.771 1.00 0.00 C ATOM 0 H MET A 2 16.915 3.451 11.487 1.00 0.00 H new ATOM 0 HA MET A 2 14.900 5.296 10.373 1.00 0.00 H new ATOM 0 HB2 MET A 2 17.889 5.553 10.015 1.00 0.00 H new ATOM 0 HB3 MET A 2 16.645 6.590 9.346 1.00 0.00 H new ATOM 0 HG2 MET A 2 17.389 7.890 11.088 1.00 0.00 H new ATOM 0 HG3 MET A 2 16.039 7.073 11.851 1.00 0.00 H new ATOM 0 HE1 MET A 2 18.897 7.610 14.626 1.00 0.00 H new ATOM 0 HE2 MET A 2 18.668 8.627 13.183 1.00 0.00 H new ATOM 0 HE3 MET A 2 17.257 8.086 14.124 1.00 0.00 H new ATOM 25 N VAL A 3 15.793 2.590 9.325 1.00 0.00 N ATOM 26 CA VAL A 3 15.459 1.648 8.267 1.00 0.00 C ATOM 27 C VAL A 3 14.073 2.059 7.770 1.00 0.00 C ATOM 28 O VAL A 3 13.101 2.003 8.533 1.00 0.00 O ATOM 29 CB VAL A 3 15.480 0.191 8.787 1.00 0.00 C ATOM 30 CG1 VAL A 3 15.186 -0.818 7.666 1.00 0.00 C ATOM 31 CG2 VAL A 3 16.842 -0.146 9.408 1.00 0.00 C ATOM 0 H VAL A 3 15.899 2.156 10.242 1.00 0.00 H new ATOM 0 HA VAL A 3 16.188 1.676 7.457 1.00 0.00 H new ATOM 0 HB VAL A 3 14.699 0.116 9.543 1.00 0.00 H new ATOM 0 HG11 VAL A 3 15.210 -1.830 8.071 1.00 0.00 H new ATOM 0 HG12 VAL A 3 14.200 -0.618 7.246 1.00 0.00 H new ATOM 0 HG13 VAL A 3 15.939 -0.723 6.884 1.00 0.00 H new ATOM 0 HG21 VAL A 3 16.834 -1.175 9.767 1.00 0.00 H new ATOM 0 HG22 VAL A 3 17.623 -0.030 8.657 1.00 0.00 H new ATOM 0 HG23 VAL A 3 17.038 0.527 10.242 1.00 0.00 H new ATOM 41 N LYS A 4 14.008 2.514 6.516 1.00 0.00 N ATOM 42 CA LYS A 4 12.773 2.866 5.818 1.00 0.00 C ATOM 43 C LYS A 4 12.665 2.109 4.493 1.00 0.00 C ATOM 44 O LYS A 4 11.841 2.427 3.640 1.00 0.00 O ATOM 45 CB LYS A 4 12.711 4.389 5.581 1.00 0.00 C ATOM 46 CG LYS A 4 12.910 5.288 6.821 1.00 0.00 C ATOM 47 CD LYS A 4 11.795 5.246 7.873 1.00 0.00 C ATOM 48 CE LYS A 4 10.672 6.266 7.602 1.00 0.00 C ATOM 49 NZ LYS A 4 10.086 6.141 6.248 1.00 0.00 N ATOM 0 H LYS A 4 14.840 2.651 5.942 1.00 0.00 H new ATOM 0 HA LYS A 4 11.928 2.576 6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 4 13.471 4.651 4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.743 4.626 5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.846 5.005 7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.024 6.318 6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.368 4.243 7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.224 5.439 8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.885 6.136 8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.067 7.274 7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.205 6.691 6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.760 6.503 5.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.882 5.141 6.049 1.00 0.00 H new ATOM 63 N GLU A 5 13.490 1.080 4.327 1.00 0.00 N ATOM 64 CA GLU A 5 13.272 0.053 3.328 1.00 0.00 C ATOM 65 C GLU A 5 12.282 -0.930 3.938 1.00 0.00 C ATOM 66 O GLU A 5 12.425 -1.322 5.102 1.00 0.00 O ATOM 67 CB GLU A 5 14.590 -0.593 2.871 1.00 0.00 C ATOM 68 CG GLU A 5 15.484 -1.111 4.002 1.00 0.00 C ATOM 69 CD GLU A 5 16.599 -1.991 3.455 1.00 0.00 C ATOM 70 OE1 GLU A 5 16.367 -3.201 3.240 1.00 0.00 O ATOM 71 OE2 GLU A 5 17.733 -1.495 3.284 1.00 0.00 O ATOM 0 H GLU A 5 14.331 0.939 4.887 1.00 0.00 H new ATOM 0 HA GLU A 5 12.857 0.467 2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.358 -1.422 2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.152 0.137 2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.913 -0.269 4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.884 -1.678 4.714 1.00 0.00 H new ATOM 78 N THR A 6 11.217 -1.244 3.204 1.00 0.00 N ATOM 79 CA THR A 6 10.248 -2.273 3.518 1.00 0.00 C ATOM 80 C THR A 6 9.423 -2.523 2.250 1.00 0.00 C ATOM 81 O THR A 6 9.350 -1.667 1.357 1.00 0.00 O ATOM 82 CB THR A 6 9.334 -1.837 4.686 1.00 0.00 C ATOM 83 OG1 THR A 6 9.807 -0.720 5.412 1.00 0.00 O ATOM 84 CG2 THR A 6 9.258 -2.986 5.674 1.00 0.00 C ATOM 0 H THR A 6 11.002 -0.759 2.332 1.00 0.00 H new ATOM 0 HA THR A 6 10.754 -3.185 3.835 1.00 0.00 H new ATOM 0 HB THR A 6 8.378 -1.565 4.239 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.176 -0.506 6.130 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.618 -2.705 6.510 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.844 -3.865 5.179 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.258 -3.215 6.043 1.00 0.00 H new ATOM 92 N THR A 7 8.783 -3.684 2.171 1.00 0.00 N ATOM 93 CA THR A 7 7.897 -4.005 1.074 1.00 0.00 C ATOM 94 C THR A 7 6.604 -3.196 1.144 1.00 0.00 C ATOM 95 O THR A 7 6.302 -2.502 2.120 1.00 0.00 O ATOM 96 CB THR A 7 7.673 -5.519 1.025 1.00 0.00 C ATOM 97 OG1 THR A 7 7.277 -5.917 -0.262 1.00 0.00 O ATOM 98 CG2 THR A 7 6.683 -6.040 2.068 1.00 0.00 C ATOM 0 H THR A 7 8.868 -4.424 2.868 1.00 0.00 H new ATOM 0 HA THR A 7 8.361 -3.716 0.131 1.00 0.00 H new ATOM 0 HB THR A 7 8.635 -5.967 1.274 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.344 -6.215 -0.240 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.581 -7.120 1.965 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.049 -5.803 3.067 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.712 -5.568 1.916 1.00 0.00 H new ATOM 106 N TYR A 8 5.814 -3.371 0.090 1.00 0.00 N ATOM 107 CA TYR A 8 4.590 -2.623 -0.189 1.00 0.00 C ATOM 108 C TYR A 8 3.507 -2.750 0.883 1.00 0.00 C ATOM 109 O TYR A 8 2.732 -1.816 1.085 1.00 0.00 O ATOM 110 CB TYR A 8 4.034 -3.038 -1.556 1.00 0.00 C ATOM 111 CG TYR A 8 4.944 -2.691 -2.714 1.00 0.00 C ATOM 112 CD1 TYR A 8 5.435 -1.381 -2.866 1.00 0.00 C ATOM 113 CD2 TYR A 8 5.315 -3.685 -3.633 1.00 0.00 C ATOM 114 CE1 TYR A 8 6.307 -1.072 -3.920 1.00 0.00 C ATOM 115 CE2 TYR A 8 6.199 -3.384 -4.682 1.00 0.00 C ATOM 116 CZ TYR A 8 6.712 -2.079 -4.820 1.00 0.00 C ATOM 117 OH TYR A 8 7.587 -1.786 -5.819 1.00 0.00 O ATOM 0 H TYR A 8 6.017 -4.069 -0.626 1.00 0.00 H new ATOM 0 HA TYR A 8 4.874 -1.571 -0.189 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.856 -4.113 -1.555 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.068 -2.556 -1.707 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.139 -0.611 -2.169 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.919 -4.685 -3.533 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.669 -0.062 -4.042 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.486 -4.153 -5.383 1.00 0.00 H new ATOM 0 HH TYR A 8 7.762 -2.592 -6.348 1.00 0.00 H new ATOM 127 N TYR A 9 3.465 -3.868 1.604 1.00 0.00 N ATOM 128 CA TYR A 9 2.572 -4.032 2.736 1.00 0.00 C ATOM 129 C TYR A 9 2.811 -2.960 3.796 1.00 0.00 C ATOM 130 O TYR A 9 1.865 -2.302 4.226 1.00 0.00 O ATOM 131 CB TYR A 9 2.760 -5.411 3.364 1.00 0.00 C ATOM 132 CG TYR A 9 2.080 -6.557 2.646 1.00 0.00 C ATOM 133 CD1 TYR A 9 0.679 -6.649 2.668 1.00 0.00 C ATOM 134 CD2 TYR A 9 2.834 -7.594 2.067 1.00 0.00 C ATOM 135 CE1 TYR A 9 0.031 -7.786 2.168 1.00 0.00 C ATOM 136 CE2 TYR A 9 2.187 -8.735 1.568 1.00 0.00 C ATOM 137 CZ TYR A 9 0.784 -8.849 1.637 1.00 0.00 C ATOM 138 OH TYR A 9 0.137 -9.969 1.219 1.00 0.00 O ATOM 0 H TYR A 9 4.050 -4.682 1.416 1.00 0.00 H new ATOM 0 HA TYR A 9 1.552 -3.932 2.365 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.828 -5.623 3.418 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.389 -5.377 4.388 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.096 -5.836 3.074 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.909 -7.512 2.007 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.047 -7.846 2.190 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.769 -9.532 1.128 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.623 -10.148 1.811 1.00 0.00 H new ATOM 148 N ASP A 10 4.064 -2.792 4.229 1.00 0.00 N ATOM 149 CA ASP A 10 4.349 -1.971 5.403 1.00 0.00 C ATOM 150 C ASP A 10 4.019 -0.515 5.148 1.00 0.00 C ATOM 151 O ASP A 10 3.642 0.221 6.069 1.00 0.00 O ATOM 152 CB ASP A 10 5.822 -2.032 5.805 1.00 0.00 C ATOM 153 CG ASP A 10 5.941 -1.858 7.320 1.00 0.00 C ATOM 154 OD1 ASP A 10 5.347 -2.673 8.064 1.00 0.00 O ATOM 155 OD2 ASP A 10 6.583 -0.872 7.757 1.00 0.00 O ATOM 0 H ASP A 10 4.885 -3.208 3.790 1.00 0.00 H new ATOM 0 HA ASP A 10 3.728 -2.376 6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.254 -2.986 5.502 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.383 -1.251 5.293 1.00 0.00 H new ATOM 160 N VAL A 11 4.147 -0.127 3.877 1.00 0.00 N ATOM 161 CA VAL A 11 3.807 1.188 3.392 1.00 0.00 C ATOM 162 C VAL A 11 2.338 1.459 3.704 1.00 0.00 C ATOM 163 O VAL A 11 1.981 2.532 4.189 1.00 0.00 O ATOM 164 CB VAL A 11 4.079 1.289 1.872 1.00 0.00 C ATOM 165 CG1 VAL A 11 3.675 2.652 1.306 1.00 0.00 C ATOM 166 CG2 VAL A 11 5.541 1.027 1.490 1.00 0.00 C ATOM 0 H VAL A 11 4.501 -0.745 3.147 1.00 0.00 H new ATOM 0 HA VAL A 11 4.425 1.938 3.887 1.00 0.00 H new ATOM 0 HB VAL A 11 3.462 0.503 1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.884 2.678 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.610 2.814 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.243 3.436 1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.656 1.115 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.183 1.757 1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.825 0.023 1.805 1.00 0.00 H new ATOM 176 N LEU A 12 1.482 0.475 3.431 1.00 0.00 N ATOM 177 CA LEU A 12 0.038 0.573 3.522 1.00 0.00 C ATOM 178 C LEU A 12 -0.469 0.282 4.940 1.00 0.00 C ATOM 179 O LEU A 12 -1.665 0.045 5.122 1.00 0.00 O ATOM 180 CB LEU A 12 -0.597 -0.351 2.464 1.00 0.00 C ATOM 181 CG LEU A 12 -0.329 0.131 1.025 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.675 -0.967 0.026 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.167 1.370 0.702 1.00 0.00 C ATOM 0 H LEU A 12 1.795 -0.447 3.129 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.265 1.599 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.204 -1.361 2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.673 -0.405 2.632 1.00 0.00 H new ATOM 0 HG LEU A 12 0.729 0.380 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.481 -0.612 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.063 -1.847 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.729 -1.228 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.961 1.692 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.225 1.129 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.912 2.172 1.394 1.00 0.00 H new ATOM 195 N GLY A 13 0.407 0.305 5.951 1.00 0.00 N ATOM 196 CA GLY A 13 0.000 0.173 7.347 1.00 0.00 C ATOM 197 C GLY A 13 -0.607 -1.199 7.641 1.00 0.00 C ATOM 198 O GLY A 13 -1.418 -1.342 8.567 1.00 0.00 O ATOM 0 H GLY A 13 1.413 0.415 5.821 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.863 0.333 7.993 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.726 0.949 7.588 1.00 0.00 H new ATOM 202 N VAL A 14 -0.236 -2.216 6.860 1.00 0.00 N ATOM 203 CA VAL A 14 -0.642 -3.600 7.037 1.00 0.00 C ATOM 204 C VAL A 14 0.623 -4.418 7.253 1.00 0.00 C ATOM 205 O VAL A 14 1.679 -4.096 6.715 1.00 0.00 O ATOM 206 CB VAL A 14 -1.489 -4.096 5.850 1.00 0.00 C ATOM 207 CG1 VAL A 14 -2.891 -3.486 5.854 1.00 0.00 C ATOM 208 CG2 VAL A 14 -0.870 -3.794 4.487 1.00 0.00 C ATOM 0 H VAL A 14 0.380 -2.086 6.057 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.291 -3.708 7.906 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.534 -5.176 5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.454 -3.863 5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.404 -3.759 6.776 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.816 -2.401 5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.522 -4.172 3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.750 -2.717 4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.104 -4.277 4.415 1.00 0.00 H new ATOM 218 N LYS A 15 0.533 -5.489 8.041 1.00 0.00 N ATOM 219 CA LYS A 15 1.643 -6.394 8.245 1.00 0.00 C ATOM 220 C LYS A 15 1.987 -7.076 6.906 1.00 0.00 C ATOM 221 O LYS A 15 1.088 -7.288 6.081 1.00 0.00 O ATOM 222 CB LYS A 15 1.307 -7.345 9.408 1.00 0.00 C ATOM 223 CG LYS A 15 0.420 -8.546 9.042 1.00 0.00 C ATOM 224 CD LYS A 15 -1.042 -8.276 8.666 1.00 0.00 C ATOM 225 CE LYS A 15 -1.956 -7.974 9.851 1.00 0.00 C ATOM 226 NZ LYS A 15 -3.349 -7.755 9.409 1.00 0.00 N ATOM 0 H LYS A 15 -0.313 -5.746 8.551 1.00 0.00 H new ATOM 0 HA LYS A 15 2.553 -5.876 8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.240 -7.719 9.830 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.810 -6.773 10.191 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.889 -9.064 8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.425 -9.234 9.887 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.076 -7.435 7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.433 -9.143 8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.922 -8.801 10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.595 -7.090 10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.947 -7.552 10.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.382 -6.950 8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.699 -8.609 8.929 1.00 0.00 H new ATOM 240 N PRO A 16 3.232 -7.540 6.702 1.00 0.00 N ATOM 241 CA PRO A 16 3.693 -8.170 5.458 1.00 0.00 C ATOM 242 C PRO A 16 3.048 -9.521 5.125 1.00 0.00 C ATOM 243 O PRO A 16 3.455 -10.183 4.174 1.00 0.00 O ATOM 244 CB PRO A 16 5.219 -8.228 5.567 1.00 0.00 C ATOM 245 CG PRO A 16 5.460 -8.288 7.068 1.00 0.00 C ATOM 246 CD PRO A 16 4.342 -7.417 7.635 1.00 0.00 C ATOM 0 HA PRO A 16 3.373 -7.573 4.604 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.626 -9.102 5.059 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.688 -7.352 5.119 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.405 -9.310 7.444 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.445 -7.903 7.334 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.054 -7.751 8.632 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.663 -6.379 7.726 1.00 0.00 H new ATOM 254 N ASN A 17 2.063 -9.952 5.902 1.00 0.00 N ATOM 255 CA ASN A 17 1.299 -11.172 5.714 1.00 0.00 C ATOM 256 C ASN A 17 -0.208 -10.877 5.680 1.00 0.00 C ATOM 257 O ASN A 17 -1.002 -11.803 5.864 1.00 0.00 O ATOM 258 CB ASN A 17 1.711 -12.208 6.776 1.00 0.00 C ATOM 259 CG ASN A 17 3.187 -12.579 6.652 1.00 0.00 C ATOM 260 OD1 ASN A 17 4.042 -12.039 7.351 1.00 0.00 O ATOM 261 ND2 ASN A 17 3.553 -13.471 5.747 1.00 0.00 N ATOM 0 H ASN A 17 1.762 -9.429 6.724 1.00 0.00 H new ATOM 0 HA ASN A 17 1.527 -11.610 4.742 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.518 -11.807 7.771 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.099 -13.104 6.669 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.539 -13.707 5.633 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.849 -13.923 5.163 1.00 0.00 H new ATOM 268 N ALA A 18 -0.636 -9.628 5.431 1.00 0.00 N ATOM 269 CA ALA A 18 -2.044 -9.282 5.213 1.00 0.00 C ATOM 270 C ALA A 18 -2.608 -9.946 3.949 1.00 0.00 C ATOM 271 O ALA A 18 -1.875 -10.329 3.028 1.00 0.00 O ATOM 272 CB ALA A 18 -2.208 -7.759 5.116 1.00 0.00 C ATOM 0 H ALA A 18 -0.007 -8.827 5.376 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.607 -9.657 6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.258 -7.516 4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.867 -7.297 6.042 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.615 -7.382 4.283 1.00 0.00 H new ATOM 278 N THR A 19 -3.931 -10.058 3.898 1.00 0.00 N ATOM 279 CA THR A 19 -4.695 -10.535 2.760 1.00 0.00 C ATOM 280 C THR A 19 -5.012 -9.391 1.792 1.00 0.00 C ATOM 281 O THR A 19 -5.065 -8.223 2.174 1.00 0.00 O ATOM 282 CB THR A 19 -5.994 -11.185 3.284 1.00 0.00 C ATOM 283 OG1 THR A 19 -6.435 -10.575 4.477 1.00 0.00 O ATOM 284 CG2 THR A 19 -5.779 -12.671 3.566 1.00 0.00 C ATOM 0 H THR A 19 -4.524 -9.806 4.689 1.00 0.00 H new ATOM 0 HA THR A 19 -4.109 -11.270 2.208 1.00 0.00 H new ATOM 0 HB THR A 19 -6.747 -11.051 2.507 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.260 -11.009 4.781 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.707 -13.109 3.934 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.478 -13.176 2.648 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.998 -12.790 4.317 1.00 0.00 H new ATOM 292 N GLN A 20 -5.344 -9.730 0.546 1.00 0.00 N ATOM 293 CA GLN A 20 -5.842 -8.784 -0.457 1.00 0.00 C ATOM 294 C GLN A 20 -7.081 -8.011 0.001 1.00 0.00 C ATOM 295 O GLN A 20 -7.376 -6.919 -0.486 1.00 0.00 O ATOM 296 CB GLN A 20 -6.187 -9.582 -1.721 1.00 0.00 C ATOM 297 CG GLN A 20 -4.934 -10.006 -2.486 1.00 0.00 C ATOM 298 CD GLN A 20 -4.371 -8.811 -3.231 1.00 0.00 C ATOM 299 OE1 GLN A 20 -4.831 -8.501 -4.324 1.00 0.00 O ATOM 300 NE2 GLN A 20 -3.401 -8.118 -2.661 1.00 0.00 N ATOM 0 H GLN A 20 -5.274 -10.686 0.198 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.063 -8.043 -0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.762 -10.467 -1.446 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.822 -8.978 -2.370 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.189 -10.402 -1.795 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.175 -10.805 -3.187 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.039 -8.401 -1.750 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.014 -7.300 -3.132 1.00 0.00 H new ATOM 309 N GLU A 21 -7.839 -8.592 0.920 1.00 0.00 N ATOM 310 CA GLU A 21 -9.111 -8.054 1.364 1.00 0.00 C ATOM 311 C GLU A 21 -8.826 -6.999 2.431 1.00 0.00 C ATOM 312 O GLU A 21 -9.480 -5.952 2.455 1.00 0.00 O ATOM 313 CB GLU A 21 -9.976 -9.214 1.881 1.00 0.00 C ATOM 314 CG GLU A 21 -9.950 -10.411 0.918 1.00 0.00 C ATOM 315 CD GLU A 21 -10.760 -11.614 1.377 1.00 0.00 C ATOM 316 OE1 GLU A 21 -10.303 -12.273 2.337 1.00 0.00 O ATOM 317 OE2 GLU A 21 -11.710 -11.987 0.656 1.00 0.00 O ATOM 0 H GLU A 21 -7.581 -9.463 1.383 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.665 -7.573 0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.617 -9.527 2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.003 -8.873 2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.325 -10.087 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.915 -10.721 0.773 1.00 0.00 H new ATOM 324 N GLU A 22 -7.807 -7.261 3.262 1.00 0.00 N ATOM 325 CA GLU A 22 -7.234 -6.325 4.218 1.00 0.00 C ATOM 326 C GLU A 22 -6.636 -5.139 3.475 1.00 0.00 C ATOM 327 O GLU A 22 -6.875 -4.011 3.891 1.00 0.00 O ATOM 328 CB GLU A 22 -6.166 -7.022 5.079 1.00 0.00 C ATOM 329 CG GLU A 22 -6.787 -7.893 6.169 1.00 0.00 C ATOM 330 CD GLU A 22 -7.550 -7.078 7.223 1.00 0.00 C ATOM 331 OE1 GLU A 22 -7.237 -5.873 7.433 1.00 0.00 O ATOM 332 OE2 GLU A 22 -8.429 -7.683 7.863 1.00 0.00 O ATOM 0 H GLU A 22 -7.346 -8.171 3.281 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.020 -5.966 4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.531 -7.637 4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.524 -6.271 5.538 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.467 -8.611 5.710 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.001 -8.467 6.660 1.00 0.00 H new ATOM 339 N LEU A 23 -5.929 -5.343 2.350 1.00 0.00 N ATOM 340 CA LEU A 23 -5.430 -4.235 1.542 1.00 0.00 C ATOM 341 C LEU A 23 -6.548 -3.243 1.234 1.00 0.00 C ATOM 342 O LEU A 23 -6.336 -2.037 1.343 1.00 0.00 O ATOM 343 CB LEU A 23 -4.827 -4.737 0.219 1.00 0.00 C ATOM 344 CG LEU A 23 -3.331 -5.040 0.195 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.487 -3.814 0.525 1.00 0.00 C ATOM 346 CD2 LEU A 23 -2.910 -6.182 1.092 1.00 0.00 C ATOM 0 H LEU A 23 -5.694 -6.267 1.986 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.652 -3.738 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.358 -5.644 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.031 -3.990 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.147 -5.348 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.431 -4.081 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.684 -3.029 -0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.742 -3.454 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.833 -6.328 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.170 -5.949 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.423 -7.093 0.786 1.00 0.00 H new ATOM 358 N LYS A 24 -7.734 -3.726 0.864 1.00 0.00 N ATOM 359 CA LYS A 24 -8.858 -2.864 0.516 1.00 0.00 C ATOM 360 C LYS A 24 -9.288 -2.031 1.723 1.00 0.00 C ATOM 361 O LYS A 24 -9.341 -0.803 1.635 1.00 0.00 O ATOM 362 CB LYS A 24 -9.996 -3.717 -0.067 1.00 0.00 C ATOM 363 CG LYS A 24 -10.663 -3.017 -1.256 1.00 0.00 C ATOM 364 CD LYS A 24 -11.548 -4.009 -2.015 1.00 0.00 C ATOM 365 CE LYS A 24 -12.049 -3.397 -3.325 1.00 0.00 C ATOM 366 NZ LYS A 24 -12.344 -4.420 -4.348 1.00 0.00 N ATOM 0 H LYS A 24 -7.940 -4.723 0.798 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.560 -2.152 -0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.603 -4.683 -0.384 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.739 -3.913 0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.262 -2.177 -0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.903 -2.610 -1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.985 -4.919 -2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.397 -4.295 -1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.948 -2.813 -3.129 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.299 -2.707 -3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.680 -3.956 -5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.481 -4.962 -4.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.079 -5.064 -3.993 1.00 0.00 H new ATOM 380 N LYS A 25 -9.574 -2.673 2.863 1.00 0.00 N ATOM 381 CA LYS A 25 -9.973 -1.952 4.077 1.00 0.00 C ATOM 382 C LYS A 25 -8.879 -0.979 4.525 1.00 0.00 C ATOM 383 O LYS A 25 -9.185 0.103 5.030 1.00 0.00 O ATOM 384 CB LYS A 25 -10.275 -2.926 5.226 1.00 0.00 C ATOM 385 CG LYS A 25 -11.567 -3.747 5.095 1.00 0.00 C ATOM 386 CD LYS A 25 -12.026 -4.160 6.507 1.00 0.00 C ATOM 387 CE LYS A 25 -13.221 -5.119 6.578 1.00 0.00 C ATOM 388 NZ LYS A 25 -14.454 -4.580 5.969 1.00 0.00 N ATOM 0 H LYS A 25 -9.537 -3.687 2.969 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.876 -1.392 3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.437 -3.617 5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.323 -2.357 6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.341 -3.160 4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.395 -4.630 4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.183 -4.625 7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.278 -3.257 7.063 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.957 -6.051 6.078 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.419 -5.362 7.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.218 -5.281 6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.730 -3.706 6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.283 -4.374 4.964 1.00 0.00 H new ATOM 402 N ALA A 26 -7.606 -1.351 4.395 1.00 0.00 N ATOM 403 CA ALA A 26 -6.487 -0.500 4.762 1.00 0.00 C ATOM 404 C ALA A 26 -6.435 0.730 3.862 1.00 0.00 C ATOM 405 O ALA A 26 -6.291 1.845 4.349 1.00 0.00 O ATOM 406 CB ALA A 26 -5.186 -1.296 4.698 1.00 0.00 C ATOM 0 H ALA A 26 -7.326 -2.261 4.028 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.622 -0.152 5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.351 -0.652 4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.240 -2.137 5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.037 -1.668 3.685 1.00 0.00 H new ATOM 412 N TYR A 27 -6.599 0.549 2.556 1.00 0.00 N ATOM 413 CA TYR A 27 -6.516 1.642 1.600 1.00 0.00 C ATOM 414 C TYR A 27 -7.554 2.705 1.937 1.00 0.00 C ATOM 415 O TYR A 27 -7.213 3.885 2.019 1.00 0.00 O ATOM 416 CB TYR A 27 -6.672 1.158 0.156 1.00 0.00 C ATOM 417 CG TYR A 27 -6.701 2.339 -0.790 1.00 0.00 C ATOM 418 CD1 TYR A 27 -5.480 2.930 -1.153 1.00 0.00 C ATOM 419 CD2 TYR A 27 -7.920 2.950 -1.150 1.00 0.00 C ATOM 420 CE1 TYR A 27 -5.461 4.137 -1.872 1.00 0.00 C ATOM 421 CE2 TYR A 27 -7.909 4.147 -1.893 1.00 0.00 C ATOM 422 CZ TYR A 27 -6.677 4.746 -2.255 1.00 0.00 C ATOM 423 OH TYR A 27 -6.626 5.906 -2.968 1.00 0.00 O ATOM 0 H TYR A 27 -6.793 -0.359 2.133 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.521 2.080 1.677 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.847 0.494 -0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.590 0.580 0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.550 2.454 -0.878 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.858 2.502 -0.857 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.519 4.598 -2.131 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.840 4.608 -2.187 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.104 6.571 -2.473 1.00 0.00 H new ATOM 433 N ARG A 28 -8.807 2.303 2.185 1.00 0.00 N ATOM 434 CA ARG A 28 -9.837 3.247 2.601 1.00 0.00 C ATOM 435 C ARG A 28 -9.389 4.032 3.831 1.00 0.00 C ATOM 436 O ARG A 28 -9.428 5.261 3.806 1.00 0.00 O ATOM 437 CB ARG A 28 -11.161 2.519 2.865 1.00 0.00 C ATOM 438 CG ARG A 28 -12.009 2.301 1.605 1.00 0.00 C ATOM 439 CD ARG A 28 -11.595 1.114 0.738 1.00 0.00 C ATOM 440 NE ARG A 28 -12.523 0.953 -0.395 1.00 0.00 N ATOM 441 CZ ARG A 28 -13.360 -0.067 -0.639 1.00 0.00 C ATOM 442 NH1 ARG A 28 -13.489 -1.082 0.212 1.00 0.00 N ATOM 443 NH2 ARG A 28 -14.060 -0.099 -1.762 1.00 0.00 N ATOM 0 H ARG A 28 -9.125 1.337 2.104 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.997 3.958 1.791 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.949 1.552 3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.742 3.091 3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.048 2.166 1.905 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.968 3.205 0.998 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.581 1.264 0.367 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.584 0.204 1.338 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.530 1.710 -1.078 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.944 -1.097 1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.133 -1.845 0.002 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.964 0.653 -2.444 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.695 -0.876 -1.945 1.00 0.00 H new ATOM 457 N LYS A 29 -8.945 3.364 4.905 1.00 0.00 N ATOM 458 CA LYS A 29 -8.600 4.073 6.142 1.00 0.00 C ATOM 459 C LYS A 29 -7.424 5.044 5.912 1.00 0.00 C ATOM 460 O LYS A 29 -7.273 6.022 6.640 1.00 0.00 O ATOM 461 CB LYS A 29 -8.351 3.061 7.286 1.00 0.00 C ATOM 462 CG LYS A 29 -6.878 2.705 7.505 1.00 0.00 C ATOM 463 CD LYS A 29 -6.627 1.451 8.340 1.00 0.00 C ATOM 464 CE LYS A 29 -5.131 1.323 8.678 1.00 0.00 C ATOM 465 NZ LYS A 29 -4.613 2.389 9.572 1.00 0.00 N ATOM 0 H LYS A 29 -8.818 2.353 4.942 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.441 4.693 6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.755 3.471 8.212 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.906 2.147 7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.404 2.575 6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.385 3.548 7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.212 1.495 9.259 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.960 0.569 7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.958 0.355 9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.559 1.333 7.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.697 2.096 9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.491 3.268 9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.288 2.551 10.346 1.00 0.00 H new ATOM 479 N LEU A 30 -6.578 4.768 4.918 1.00 0.00 N ATOM 480 CA LEU A 30 -5.442 5.584 4.519 1.00 0.00 C ATOM 481 C LEU A 30 -5.898 6.781 3.706 1.00 0.00 C ATOM 482 O LEU A 30 -5.585 7.906 4.083 1.00 0.00 O ATOM 483 CB LEU A 30 -4.438 4.721 3.734 1.00 0.00 C ATOM 484 CG LEU A 30 -3.254 4.152 4.540 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.502 3.972 6.047 1.00 0.00 C ATOM 486 CD2 LEU A 30 -2.827 2.809 3.956 1.00 0.00 C ATOM 0 H LEU A 30 -6.675 3.929 4.346 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.946 5.968 5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.979 3.888 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.039 5.319 2.915 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.473 4.907 4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.606 3.566 6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.741 4.937 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.334 3.285 6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.990 2.412 4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.662 2.110 4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.523 2.944 2.918 1.00 0.00 H new ATOM 498 N ALA A 31 -6.622 6.584 2.608 1.00 0.00 N ATOM 499 CA ALA A 31 -7.092 7.686 1.779 1.00 0.00 C ATOM 500 C ALA A 31 -7.958 8.646 2.601 1.00 0.00 C ATOM 501 O ALA A 31 -7.846 9.859 2.440 1.00 0.00 O ATOM 502 CB ALA A 31 -7.838 7.127 0.567 1.00 0.00 C ATOM 0 H ALA A 31 -6.897 5.662 2.271 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.242 8.263 1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.191 7.950 -0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.166 6.495 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.690 6.537 0.905 1.00 0.00 H new ATOM 508 N LEU A 32 -8.759 8.125 3.537 1.00 0.00 N ATOM 509 CA LEU A 32 -9.560 8.924 4.459 1.00 0.00 C ATOM 510 C LEU A 32 -8.708 9.719 5.463 1.00 0.00 C ATOM 511 O LEU A 32 -9.253 10.644 6.068 1.00 0.00 O ATOM 512 CB LEU A 32 -10.546 8.008 5.210 1.00 0.00 C ATOM 513 CG LEU A 32 -11.693 7.467 4.331 1.00 0.00 C ATOM 514 CD1 LEU A 32 -12.400 6.289 5.018 1.00 0.00 C ATOM 515 CD2 LEU A 32 -12.726 8.555 4.021 1.00 0.00 C ATOM 0 H LEU A 32 -8.868 7.120 3.674 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.103 9.657 3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.996 7.166 5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.973 8.560 6.047 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.244 7.130 3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.205 5.925 4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.684 5.486 5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.814 6.619 5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.519 8.138 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.153 8.928 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.243 9.375 3.490 1.00 0.00 H new ATOM 527 N LYS A 33 -7.420 9.401 5.646 1.00 0.00 N ATOM 528 CA LYS A 33 -6.487 10.032 6.586 1.00 0.00 C ATOM 529 C LYS A 33 -5.586 11.029 5.861 1.00 0.00 C ATOM 530 O LYS A 33 -5.612 12.215 6.185 1.00 0.00 O ATOM 531 CB LYS A 33 -5.673 8.940 7.317 1.00 0.00 C ATOM 532 CG LYS A 33 -4.499 9.481 8.150 1.00 0.00 C ATOM 533 CD LYS A 33 -3.841 8.354 8.959 1.00 0.00 C ATOM 534 CE LYS A 33 -2.449 8.702 9.499 1.00 0.00 C ATOM 535 NZ LYS A 33 -2.418 9.923 10.331 1.00 0.00 N ATOM 0 H LYS A 33 -6.977 8.654 5.111 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.046 10.595 7.334 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.342 8.381 7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.287 8.236 6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.762 9.941 7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.854 10.260 8.825 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.490 8.096 9.796 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.764 7.467 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.078 7.863 10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.765 8.829 8.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.446 10.095 10.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.741 10.735 9.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.044 9.800 11.152 1.00 0.00 H new ATOM 549 N TYR A 34 -4.794 10.554 4.899 1.00 0.00 N ATOM 550 CA TYR A 34 -3.775 11.307 4.165 1.00 0.00 C ATOM 551 C TYR A 34 -4.373 12.197 3.059 1.00 0.00 C ATOM 552 O TYR A 34 -3.664 12.547 2.117 1.00 0.00 O ATOM 553 CB TYR A 34 -2.761 10.320 3.558 1.00 0.00 C ATOM 554 CG TYR A 34 -1.999 9.457 4.546 1.00 0.00 C ATOM 555 CD1 TYR A 34 -0.859 9.972 5.185 1.00 0.00 C ATOM 556 CD2 TYR A 34 -2.374 8.121 4.769 1.00 0.00 C ATOM 557 CE1 TYR A 34 -0.105 9.166 6.058 1.00 0.00 C ATOM 558 CE2 TYR A 34 -1.653 7.330 5.670 1.00 0.00 C ATOM 559 CZ TYR A 34 -0.522 7.846 6.328 1.00 0.00 C ATOM 560 OH TYR A 34 0.148 7.050 7.203 1.00 0.00 O ATOM 0 H TYR A 34 -4.849 9.582 4.594 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.283 11.975 4.872 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.291 9.665 2.867 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.040 10.887 2.970 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.559 10.994 5.005 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.221 7.704 4.244 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.790 9.557 6.520 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.967 6.315 5.862 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.294 6.177 7.255 1.00 0.00 H new ATOM 570 N HIS A 35 -5.680 12.494 3.094 1.00 0.00 N ATOM 571 CA HIS A 35 -6.337 13.087 1.939 1.00 0.00 C ATOM 572 C HIS A 35 -5.750 14.485 1.682 1.00 0.00 C ATOM 573 O HIS A 35 -5.601 15.244 2.640 1.00 0.00 O ATOM 574 CB HIS A 35 -7.848 13.166 2.230 1.00 0.00 C ATOM 575 CG HIS A 35 -8.702 13.026 0.998 1.00 0.00 C ATOM 576 ND1 HIS A 35 -9.625 13.929 0.531 1.00 0.00 N ATOM 577 CD2 HIS A 35 -8.717 11.954 0.149 1.00 0.00 C ATOM 578 CE1 HIS A 35 -10.162 13.430 -0.592 1.00 0.00 C ATOM 579 NE2 HIS A 35 -9.658 12.210 -0.851 1.00 0.00 N ATOM 0 H HIS A 35 -6.287 12.334 3.898 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.176 12.482 1.047 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.115 12.383 2.939 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.069 14.120 2.710 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.109 11.066 0.236 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.895 13.936 -1.202 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -9.912 11.595 -1.624 1.00 0.00 H new ATOM 587 N PRO A 36 -5.567 14.913 0.421 1.00 0.00 N ATOM 588 CA PRO A 36 -4.846 16.153 0.127 1.00 0.00 C ATOM 589 C PRO A 36 -5.609 17.398 0.578 1.00 0.00 C ATOM 590 O PRO A 36 -5.004 18.391 0.981 1.00 0.00 O ATOM 591 CB PRO A 36 -4.636 16.146 -1.390 1.00 0.00 C ATOM 592 CG PRO A 36 -5.647 15.138 -1.935 1.00 0.00 C ATOM 593 CD PRO A 36 -5.760 14.134 -0.792 1.00 0.00 C ATOM 0 HA PRO A 36 -3.903 16.194 0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.801 17.136 -1.814 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.616 15.856 -1.644 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.605 15.606 -2.161 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.297 14.669 -2.854 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.733 13.643 -0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.008 13.350 -0.881 1.00 0.00 H new ATOM 601 N ASP A 37 -6.938 17.319 0.548 1.00 0.00 N ATOM 602 CA ASP A 37 -7.872 18.352 0.985 1.00 0.00 C ATOM 603 C ASP A 37 -7.572 18.829 2.408 1.00 0.00 C ATOM 604 O ASP A 37 -7.573 20.029 2.693 1.00 0.00 O ATOM 605 CB ASP A 37 -9.279 17.741 0.908 1.00 0.00 C ATOM 606 CG ASP A 37 -10.384 18.658 1.429 1.00 0.00 C ATOM 607 OD1 ASP A 37 -10.374 19.873 1.146 1.00 0.00 O ATOM 608 OD2 ASP A 37 -11.336 18.133 2.053 1.00 0.00 O ATOM 0 H ASP A 37 -7.416 16.488 0.200 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.783 19.229 0.344 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.495 17.481 -0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.292 16.812 1.479 1.00 0.00 H new ATOM 613 N LYS A 38 -7.296 17.891 3.318 1.00 0.00 N ATOM 614 CA LYS A 38 -7.152 18.161 4.746 1.00 0.00 C ATOM 615 C LYS A 38 -5.777 17.776 5.282 1.00 0.00 C ATOM 616 O LYS A 38 -5.538 17.955 6.474 1.00 0.00 O ATOM 617 CB LYS A 38 -8.290 17.474 5.516 1.00 0.00 C ATOM 618 CG LYS A 38 -9.663 18.067 5.147 1.00 0.00 C ATOM 619 CD LYS A 38 -10.524 18.386 6.374 1.00 0.00 C ATOM 620 CE LYS A 38 -11.664 19.312 5.951 1.00 0.00 C ATOM 621 NZ LYS A 38 -12.185 20.107 7.081 1.00 0.00 N ATOM 0 H LYS A 38 -7.165 16.909 3.077 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.228 19.238 4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.284 16.406 5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.122 17.582 6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.516 18.978 4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.197 17.364 4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.924 17.467 6.803 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.919 18.861 7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.313 19.984 5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.472 18.719 5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.956 20.720 6.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.545 19.468 7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.421 20.694 7.474 1.00 0.00 H new ATOM 635 N ASN A 39 -4.873 17.278 4.439 1.00 0.00 N ATOM 636 CA ASN A 39 -3.493 16.986 4.796 1.00 0.00 C ATOM 637 C ASN A 39 -2.572 17.303 3.606 1.00 0.00 C ATOM 638 O ASN A 39 -2.028 16.390 2.979 1.00 0.00 O ATOM 639 CB ASN A 39 -3.377 15.531 5.266 1.00 0.00 C ATOM 640 CG ASN A 39 -2.068 15.286 5.999 1.00 0.00 C ATOM 641 OD1 ASN A 39 -1.102 16.035 5.890 1.00 0.00 O ATOM 642 ND2 ASN A 39 -2.022 14.248 6.811 1.00 0.00 N ATOM 0 H ASN A 39 -5.090 17.063 3.466 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.174 17.617 5.626 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.213 15.292 5.923 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.445 14.863 4.407 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.179 14.063 7.354 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.829 13.631 6.896 1.00 0.00 H new ATOM 649 N PRO A 40 -2.376 18.594 3.275 1.00 0.00 N ATOM 650 CA PRO A 40 -1.485 19.001 2.188 1.00 0.00 C ATOM 651 C PRO A 40 -0.054 18.550 2.462 1.00 0.00 C ATOM 652 O PRO A 40 0.714 18.290 1.537 1.00 0.00 O ATOM 653 CB PRO A 40 -1.536 20.531 2.134 1.00 0.00 C ATOM 654 CG PRO A 40 -2.158 20.963 3.456 1.00 0.00 C ATOM 655 CD PRO A 40 -2.925 19.748 3.969 1.00 0.00 C ATOM 0 HA PRO A 40 -1.799 18.550 1.247 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.538 20.953 2.013 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.132 20.874 1.289 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.391 21.271 4.167 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.823 21.815 3.316 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.810 19.643 5.048 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.992 19.850 3.770 1.00 0.00 H new ATOM 663 N ASN A 41 0.309 18.463 3.744 1.00 0.00 N ATOM 664 CA ASN A 41 1.642 18.162 4.222 1.00 0.00 C ATOM 665 C ASN A 41 2.071 16.774 3.763 1.00 0.00 C ATOM 666 O ASN A 41 3.268 16.532 3.601 1.00 0.00 O ATOM 667 CB ASN A 41 1.664 18.224 5.757 1.00 0.00 C ATOM 668 CG ASN A 41 0.901 19.416 6.314 1.00 0.00 C ATOM 669 OD1 ASN A 41 -0.310 19.353 6.484 1.00 0.00 O ATOM 670 ND2 ASN A 41 1.547 20.543 6.531 1.00 0.00 N ATOM 0 H ASN A 41 -0.356 18.609 4.504 1.00 0.00 H new ATOM 0 HA ASN A 41 2.335 18.897 3.814 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.236 17.306 6.159 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.698 18.270 6.099 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.038 21.370 6.843 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.556 20.588 6.387 1.00 0.00 H new ATOM 677 N GLU A 42 1.110 15.874 3.530 1.00 0.00 N ATOM 678 CA GLU A 42 1.337 14.483 3.154 1.00 0.00 C ATOM 679 C GLU A 42 0.742 14.182 1.763 1.00 0.00 C ATOM 680 O GLU A 42 0.579 13.019 1.394 1.00 0.00 O ATOM 681 CB GLU A 42 0.816 13.567 4.280 1.00 0.00 C ATOM 682 CG GLU A 42 1.570 13.824 5.603 1.00 0.00 C ATOM 683 CD GLU A 42 1.130 12.910 6.750 1.00 0.00 C ATOM 684 OE1 GLU A 42 1.532 11.730 6.765 1.00 0.00 O ATOM 685 OE2 GLU A 42 0.396 13.321 7.674 1.00 0.00 O ATOM 0 H GLU A 42 0.119 16.107 3.602 1.00 0.00 H new ATOM 0 HA GLU A 42 2.403 14.283 3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.250 13.738 4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.934 12.524 3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.639 13.691 5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.421 14.862 5.900 1.00 0.00 H new ATOM 692 N GLY A 43 0.433 15.214 0.971 1.00 0.00 N ATOM 693 CA GLY A 43 -0.184 15.067 -0.342 1.00 0.00 C ATOM 694 C GLY A 43 0.741 14.357 -1.333 1.00 0.00 C ATOM 695 O GLY A 43 0.242 13.597 -2.169 1.00 0.00 O ATOM 0 H GLY A 43 0.608 16.185 1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.112 14.504 -0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.446 16.051 -0.732 1.00 0.00 H new ATOM 699 N GLU A 44 2.069 14.531 -1.236 1.00 0.00 N ATOM 700 CA GLU A 44 3.017 13.707 -1.991 1.00 0.00 C ATOM 701 C GLU A 44 2.950 12.278 -1.469 1.00 0.00 C ATOM 702 O GLU A 44 2.830 11.379 -2.287 1.00 0.00 O ATOM 703 CB GLU A 44 4.469 14.209 -1.918 1.00 0.00 C ATOM 704 CG GLU A 44 4.993 14.757 -3.259 1.00 0.00 C ATOM 705 CD GLU A 44 6.521 14.901 -3.295 1.00 0.00 C ATOM 706 OE1 GLU A 44 7.235 14.081 -2.676 1.00 0.00 O ATOM 707 OE2 GLU A 44 7.046 15.812 -3.987 1.00 0.00 O ATOM 0 H GLU A 44 2.507 15.235 -0.642 1.00 0.00 H new ATOM 0 HA GLU A 44 2.724 13.765 -3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.538 14.991 -1.162 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.112 13.392 -1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.678 14.093 -4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.538 15.729 -3.450 1.00 0.00 H new ATOM 714 N LYS A 45 2.959 12.051 -0.153 1.00 0.00 N ATOM 715 CA LYS A 45 2.969 10.729 0.481 1.00 0.00 C ATOM 716 C LYS A 45 1.820 9.846 0.027 1.00 0.00 C ATOM 717 O LYS A 45 1.956 8.626 0.068 1.00 0.00 O ATOM 718 CB LYS A 45 2.892 10.890 2.000 1.00 0.00 C ATOM 719 CG LYS A 45 3.484 9.681 2.730 1.00 0.00 C ATOM 720 CD LYS A 45 3.144 9.728 4.221 1.00 0.00 C ATOM 721 CE LYS A 45 3.870 10.904 4.887 1.00 0.00 C ATOM 722 NZ LYS A 45 3.974 10.741 6.345 1.00 0.00 N ATOM 0 H LYS A 45 2.960 12.812 0.527 1.00 0.00 H new ATOM 0 HA LYS A 45 3.898 10.243 0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.427 11.792 2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.852 11.022 2.299 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.097 8.761 2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.566 9.665 2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.067 9.832 4.354 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.435 8.792 4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.869 10.999 4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.339 11.829 4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.713 11.374 6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.063 10.979 6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.220 9.755 6.567 1.00 0.00 H new ATOM 736 N PHE A 46 0.717 10.422 -0.440 1.00 0.00 N ATOM 737 CA PHE A 46 -0.336 9.669 -1.107 1.00 0.00 C ATOM 738 C PHE A 46 0.242 8.743 -2.181 1.00 0.00 C ATOM 739 O PHE A 46 -0.183 7.598 -2.299 1.00 0.00 O ATOM 740 CB PHE A 46 -1.341 10.637 -1.730 1.00 0.00 C ATOM 741 CG PHE A 46 -2.751 10.086 -1.726 1.00 0.00 C ATOM 742 CD1 PHE A 46 -3.093 9.016 -2.573 1.00 0.00 C ATOM 743 CD2 PHE A 46 -3.717 10.618 -0.852 1.00 0.00 C ATOM 744 CE1 PHE A 46 -4.396 8.492 -2.556 1.00 0.00 C ATOM 745 CE2 PHE A 46 -5.020 10.092 -0.832 1.00 0.00 C ATOM 746 CZ PHE A 46 -5.359 9.029 -1.685 1.00 0.00 C ATOM 0 H PHE A 46 0.529 11.422 -0.366 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.840 9.048 -0.366 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.321 11.580 -1.183 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.042 10.857 -2.755 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.352 8.597 -3.238 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.456 11.434 -0.194 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.658 7.676 -3.213 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.760 10.505 -0.162 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.360 8.624 -1.671 1.00 0.00 H new ATOM 756 N LYS A 47 1.263 9.203 -2.901 1.00 0.00 N ATOM 757 CA LYS A 47 1.955 8.479 -3.952 1.00 0.00 C ATOM 758 C LYS A 47 2.526 7.143 -3.484 1.00 0.00 C ATOM 759 O LYS A 47 2.598 6.199 -4.267 1.00 0.00 O ATOM 760 CB LYS A 47 3.089 9.348 -4.514 1.00 0.00 C ATOM 761 CG LYS A 47 3.334 9.053 -5.986 1.00 0.00 C ATOM 762 CD LYS A 47 4.546 9.853 -6.461 1.00 0.00 C ATOM 763 CE LYS A 47 4.449 10.097 -7.963 1.00 0.00 C ATOM 764 NZ LYS A 47 5.729 10.601 -8.483 1.00 0.00 N ATOM 0 H LYS A 47 1.645 10.138 -2.756 1.00 0.00 H new ATOM 0 HA LYS A 47 1.217 8.259 -4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.839 10.402 -4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.003 9.168 -3.948 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.506 7.987 -6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.455 9.317 -6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.595 10.804 -5.931 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.463 9.312 -6.230 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.181 9.171 -8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.656 10.816 -8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.648 10.763 -9.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.968 11.495 -8.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.477 9.902 -8.301 1.00 0.00 H new ATOM 778 N GLN A 48 2.966 7.045 -2.225 1.00 0.00 N ATOM 779 CA GLN A 48 3.440 5.784 -1.662 1.00 0.00 C ATOM 780 C GLN A 48 2.292 4.765 -1.632 1.00 0.00 C ATOM 781 O GLN A 48 2.530 3.578 -1.868 1.00 0.00 O ATOM 782 CB GLN A 48 4.001 6.026 -0.244 1.00 0.00 C ATOM 783 CG GLN A 48 5.483 6.410 -0.216 1.00 0.00 C ATOM 784 CD GLN A 48 6.392 5.184 -0.177 1.00 0.00 C ATOM 785 OE1 GLN A 48 6.754 4.609 -1.203 1.00 0.00 O ATOM 786 NE2 GLN A 48 6.795 4.731 0.997 1.00 0.00 N ATOM 0 H GLN A 48 3.002 7.831 -1.576 1.00 0.00 H new ATOM 0 HA GLN A 48 4.239 5.382 -2.285 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.423 6.817 0.234 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.859 5.123 0.350 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.719 7.008 -1.096 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.679 7.034 0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.501 5.201 1.853 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.401 3.912 1.047 1.00 0.00 H new ATOM 795 N ILE A 49 1.066 5.229 -1.355 1.00 0.00 N ATOM 796 CA ILE A 49 -0.135 4.433 -1.151 1.00 0.00 C ATOM 797 C ILE A 49 -0.554 3.832 -2.501 1.00 0.00 C ATOM 798 O ILE A 49 -0.764 2.623 -2.602 1.00 0.00 O ATOM 799 CB ILE A 49 -1.257 5.299 -0.492 1.00 0.00 C ATOM 800 CG1 ILE A 49 -0.719 6.178 0.666 1.00 0.00 C ATOM 801 CG2 ILE A 49 -2.407 4.430 0.037 1.00 0.00 C ATOM 802 CD1 ILE A 49 -1.768 7.020 1.399 1.00 0.00 C ATOM 0 H ILE A 49 0.884 6.228 -1.264 1.00 0.00 H new ATOM 0 HA ILE A 49 0.056 3.612 -0.460 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.630 5.951 -1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.227 5.530 1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.044 6.847 0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.167 5.068 0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.847 3.868 -0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.024 3.737 0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.285 7.596 2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.246 7.700 0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.520 6.364 1.836 1.00 0.00 H new ATOM 814 N SER A 50 -0.658 4.653 -3.546 1.00 0.00 N ATOM 815 CA SER A 50 -0.952 4.215 -4.908 1.00 0.00 C ATOM 816 C SER A 50 0.121 3.240 -5.399 1.00 0.00 C ATOM 817 O SER A 50 -0.207 2.105 -5.741 1.00 0.00 O ATOM 818 CB SER A 50 -1.095 5.437 -5.831 1.00 0.00 C ATOM 819 OG SER A 50 -0.284 6.493 -5.346 1.00 0.00 O ATOM 0 H SER A 50 -0.537 5.663 -3.466 1.00 0.00 H new ATOM 0 HA SER A 50 -1.901 3.679 -4.922 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.800 5.175 -6.847 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.137 5.754 -5.873 1.00 0.00 H new ATOM 0 HG SER A 50 0.600 6.143 -5.107 1.00 0.00 H new ATOM 825 N GLN A 51 1.397 3.644 -5.391 1.00 0.00 N ATOM 826 CA GLN A 51 2.517 2.868 -5.919 1.00 0.00 C ATOM 827 C GLN A 51 2.663 1.502 -5.224 1.00 0.00 C ATOM 828 O GLN A 51 3.257 0.580 -5.782 1.00 0.00 O ATOM 829 CB GLN A 51 3.771 3.738 -5.719 1.00 0.00 C ATOM 830 CG GLN A 51 5.028 3.284 -6.452 1.00 0.00 C ATOM 831 CD GLN A 51 4.909 3.340 -7.973 1.00 0.00 C ATOM 832 OE1 GLN A 51 4.340 4.271 -8.537 1.00 0.00 O ATOM 833 NE2 GLN A 51 5.396 2.327 -8.666 1.00 0.00 N ATOM 0 H GLN A 51 1.683 4.544 -5.006 1.00 0.00 H new ATOM 0 HA GLN A 51 2.357 2.635 -6.972 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.537 4.754 -6.036 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.992 3.780 -4.653 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.865 3.908 -6.139 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.263 2.263 -6.153 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.866 1.560 -8.186 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.302 2.312 -9.682 1.00 0.00 H new ATOM 842 N ALA A 52 2.161 1.363 -3.992 1.00 0.00 N ATOM 843 CA ALA A 52 2.102 0.098 -3.275 1.00 0.00 C ATOM 844 C ALA A 52 0.881 -0.724 -3.680 1.00 0.00 C ATOM 845 O ALA A 52 1.028 -1.895 -4.038 1.00 0.00 O ATOM 846 CB ALA A 52 2.119 0.352 -1.761 1.00 0.00 C ATOM 0 H ALA A 52 1.779 2.145 -3.461 1.00 0.00 H new ATOM 0 HA ALA A 52 2.982 -0.486 -3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.075 -0.600 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.036 0.875 -1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.258 0.961 -1.485 1.00 0.00 H new ATOM 852 N TYR A 53 -0.313 -0.126 -3.617 1.00 0.00 N ATOM 853 CA TYR A 53 -1.547 -0.839 -3.923 1.00 0.00 C ATOM 854 C TYR A 53 -1.570 -1.302 -5.384 1.00 0.00 C ATOM 855 O TYR A 53 -2.232 -2.288 -5.678 1.00 0.00 O ATOM 856 CB TYR A 53 -2.755 0.042 -3.591 1.00 0.00 C ATOM 857 CG TYR A 53 -4.086 -0.692 -3.593 1.00 0.00 C ATOM 858 CD1 TYR A 53 -4.545 -1.322 -2.418 1.00 0.00 C ATOM 859 CD2 TYR A 53 -4.862 -0.754 -4.769 1.00 0.00 C ATOM 860 CE1 TYR A 53 -5.799 -1.960 -2.404 1.00 0.00 C ATOM 861 CE2 TYR A 53 -6.107 -1.410 -4.764 1.00 0.00 C ATOM 862 CZ TYR A 53 -6.587 -2.004 -3.576 1.00 0.00 C ATOM 863 OH TYR A 53 -7.794 -2.635 -3.581 1.00 0.00 O ATOM 0 H TYR A 53 -0.446 0.851 -3.356 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.597 -1.735 -3.304 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.603 0.491 -2.610 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.803 0.859 -4.311 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.933 -1.315 -1.528 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.499 -0.296 -5.677 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.160 -2.417 -1.495 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.695 -1.459 -5.668 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.196 -2.564 -4.472 1.00 0.00 H new ATOM 873 N GLU A 54 -0.830 -0.644 -6.281 1.00 0.00 N ATOM 874 CA GLU A 54 -0.784 -0.966 -7.708 1.00 0.00 C ATOM 875 C GLU A 54 -0.182 -2.354 -7.936 1.00 0.00 C ATOM 876 O GLU A 54 -0.633 -3.093 -8.802 1.00 0.00 O ATOM 877 CB GLU A 54 0.033 0.118 -8.432 1.00 0.00 C ATOM 878 CG GLU A 54 0.250 -0.122 -9.939 1.00 0.00 C ATOM 879 CD GLU A 54 -0.992 0.010 -10.829 1.00 0.00 C ATOM 880 OE1 GLU A 54 -2.094 0.397 -10.369 1.00 0.00 O ATOM 881 OE2 GLU A 54 -0.841 -0.179 -12.062 1.00 0.00 O ATOM 0 H GLU A 54 -0.234 0.144 -6.029 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.797 -0.986 -8.111 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.469 1.077 -8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.007 0.200 -7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.003 0.582 -10.294 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.662 -1.122 -10.071 1.00 0.00 H new ATOM 888 N VAL A 55 0.843 -2.722 -7.164 1.00 0.00 N ATOM 889 CA VAL A 55 1.452 -4.050 -7.259 1.00 0.00 C ATOM 890 C VAL A 55 0.546 -5.087 -6.589 1.00 0.00 C ATOM 891 O VAL A 55 0.551 -6.264 -6.952 1.00 0.00 O ATOM 892 CB VAL A 55 2.864 -4.003 -6.645 1.00 0.00 C ATOM 893 CG1 VAL A 55 3.542 -5.379 -6.651 1.00 0.00 C ATOM 894 CG2 VAL A 55 3.733 -3.004 -7.426 1.00 0.00 C ATOM 0 H VAL A 55 1.270 -2.116 -6.463 1.00 0.00 H new ATOM 0 HA VAL A 55 1.557 -4.351 -8.301 1.00 0.00 H new ATOM 0 HB VAL A 55 2.761 -3.687 -5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.535 -5.297 -6.209 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.943 -6.082 -6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.630 -5.737 -7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.732 -2.972 -6.990 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.802 -3.318 -8.468 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.283 -2.013 -7.375 1.00 0.00 H new ATOM 904 N LEU A 56 -0.241 -4.654 -5.610 1.00 0.00 N ATOM 905 CA LEU A 56 -1.053 -5.511 -4.769 1.00 0.00 C ATOM 906 C LEU A 56 -2.518 -5.511 -5.212 1.00 0.00 C ATOM 907 O LEU A 56 -3.345 -5.974 -4.434 1.00 0.00 O ATOM 908 CB LEU A 56 -0.895 -5.072 -3.295 1.00 0.00 C ATOM 909 CG LEU A 56 0.540 -5.191 -2.744 1.00 0.00 C ATOM 910 CD1 LEU A 56 0.596 -4.663 -1.308 1.00 0.00 C ATOM 911 CD2 LEU A 56 1.034 -6.640 -2.726 1.00 0.00 C ATOM 0 H LEU A 56 -0.331 -3.665 -5.377 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.706 -6.540 -4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.223 -4.037 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.560 -5.675 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 56 1.178 -4.605 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.614 -4.751 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.292 -3.616 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.078 -5.245 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.049 -6.673 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.378 -7.240 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.027 -7.039 -3.740 1.00 0.00 H new ATOM 923 N SER A 57 -2.896 -4.983 -6.376 1.00 0.00 N ATOM 924 CA SER A 57 -4.294 -4.861 -6.784 1.00 0.00 C ATOM 925 C SER A 57 -4.837 -6.138 -7.430 1.00 0.00 C ATOM 926 O SER A 57 -6.049 -6.380 -7.409 1.00 0.00 O ATOM 927 CB SER A 57 -4.398 -3.706 -7.784 1.00 0.00 C ATOM 928 OG SER A 57 -3.466 -3.886 -8.834 1.00 0.00 O ATOM 0 H SER A 57 -2.236 -4.626 -7.066 1.00 0.00 H new ATOM 0 HA SER A 57 -4.893 -4.678 -5.892 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.409 -3.655 -8.189 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.210 -2.759 -7.278 1.00 0.00 H new ATOM 0 HG SER A 57 -2.621 -3.447 -8.601 1.00 0.00 H new ATOM 934 N ASP A 58 -3.949 -6.924 -8.040 1.00 0.00 N ATOM 935 CA ASP A 58 -4.257 -7.858 -9.112 1.00 0.00 C ATOM 936 C ASP A 58 -3.608 -9.196 -8.815 1.00 0.00 C ATOM 937 O ASP A 58 -2.445 -9.211 -8.410 1.00 0.00 O ATOM 938 CB ASP A 58 -3.673 -7.326 -10.427 1.00 0.00 C ATOM 939 CG ASP A 58 -4.310 -8.047 -11.610 1.00 0.00 C ATOM 940 OD1 ASP A 58 -3.878 -9.183 -11.883 1.00 0.00 O ATOM 941 OD2 ASP A 58 -5.280 -7.526 -12.208 1.00 0.00 O ATOM 0 H ASP A 58 -2.961 -6.924 -7.788 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.338 -7.971 -9.192 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.851 -6.253 -10.506 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.593 -7.472 -10.440 1.00 0.00 H new ATOM 946 N ALA A 59 -4.301 -10.312 -9.061 1.00 0.00 N ATOM 947 CA ALA A 59 -3.732 -11.627 -8.812 1.00 0.00 C ATOM 948 C ALA A 59 -2.487 -11.882 -9.660 1.00 0.00 C ATOM 949 O ALA A 59 -1.598 -12.606 -9.208 1.00 0.00 O ATOM 950 CB ALA A 59 -4.771 -12.728 -9.044 1.00 0.00 C ATOM 0 H ALA A 59 -5.252 -10.325 -9.430 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.428 -11.649 -7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.319 -13.701 -8.851 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.615 -12.580 -8.370 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.119 -12.688 -10.076 1.00 0.00 H new ATOM 956 N LYS A 60 -2.408 -11.324 -10.873 1.00 0.00 N ATOM 957 CA LYS A 60 -1.283 -11.530 -11.772 1.00 0.00 C ATOM 958 C LYS A 60 -0.088 -10.740 -11.267 1.00 0.00 C ATOM 959 O LYS A 60 0.999 -11.302 -11.171 1.00 0.00 O ATOM 960 CB LYS A 60 -1.671 -11.131 -13.211 1.00 0.00 C ATOM 961 CG LYS A 60 -1.438 -12.261 -14.219 1.00 0.00 C ATOM 962 CD LYS A 60 0.043 -12.604 -14.435 1.00 0.00 C ATOM 963 CE LYS A 60 0.176 -13.914 -15.217 1.00 0.00 C ATOM 964 NZ LYS A 60 -0.288 -13.804 -16.612 1.00 0.00 N ATOM 0 H LYS A 60 -3.131 -10.714 -11.255 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.010 -12.585 -11.792 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.721 -10.841 -13.233 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.092 -10.257 -13.510 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.962 -13.154 -13.877 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.879 -11.979 -15.175 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.535 -11.797 -14.978 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.547 -12.694 -13.473 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.219 -14.229 -15.211 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.395 -14.692 -14.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.173 -14.721 -17.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.291 -13.531 -16.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.273 -13.083 -17.109 1.00 0.00 H new ATOM 978 N LYS A 61 -0.255 -9.449 -10.951 1.00 0.00 N ATOM 979 CA LYS A 61 0.839 -8.690 -10.332 1.00 0.00 C ATOM 980 C LYS A 61 1.246 -9.372 -9.040 1.00 0.00 C ATOM 981 O LYS A 61 2.433 -9.643 -8.858 1.00 0.00 O ATOM 982 CB LYS A 61 0.495 -7.216 -10.053 1.00 0.00 C ATOM 983 CG LYS A 61 0.463 -6.368 -11.328 1.00 0.00 C ATOM 984 CD LYS A 61 1.167 -5.009 -11.193 1.00 0.00 C ATOM 985 CE LYS A 61 2.673 -5.076 -10.878 1.00 0.00 C ATOM 986 NZ LYS A 61 3.487 -5.714 -11.936 1.00 0.00 N ATOM 0 H LYS A 61 -1.113 -8.920 -11.108 1.00 0.00 H new ATOM 0 HA LYS A 61 1.660 -8.680 -11.049 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.475 -7.160 -9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.228 -6.800 -9.362 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.931 -6.929 -12.137 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.575 -6.201 -11.615 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.031 -4.454 -12.121 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.673 -4.439 -10.406 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.043 -4.064 -10.711 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.814 -5.625 -9.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.487 -5.720 -11.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.163 -6.691 -12.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.385 -5.180 -12.822 1.00 0.00 H new ATOM 1000 N ARG A 62 0.292 -9.653 -8.153 1.00 0.00 N ATOM 1001 CA ARG A 62 0.652 -10.146 -6.831 1.00 0.00 C ATOM 1002 C ARG A 62 1.378 -11.490 -6.897 1.00 0.00 C ATOM 1003 O ARG A 62 2.263 -11.725 -6.083 1.00 0.00 O ATOM 1004 CB ARG A 62 -0.554 -10.195 -5.886 1.00 0.00 C ATOM 1005 CG ARG A 62 -0.039 -9.995 -4.456 1.00 0.00 C ATOM 1006 CD ARG A 62 -1.115 -10.235 -3.403 1.00 0.00 C ATOM 1007 NE ARG A 62 -1.043 -11.604 -2.881 1.00 0.00 N ATOM 1008 CZ ARG A 62 -1.699 -12.680 -3.329 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -2.716 -12.586 -4.181 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -1.336 -13.876 -2.892 1.00 0.00 N ATOM 0 H ARG A 62 -0.709 -9.550 -8.321 1.00 0.00 H new ATOM 0 HA ARG A 62 1.355 -9.427 -6.411 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -1.274 -9.418 -6.145 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.071 -11.151 -5.976 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.796 -10.672 -4.277 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.346 -8.981 -4.352 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.995 -9.524 -2.586 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.099 -10.059 -3.837 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.422 -11.752 -2.086 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.019 -11.671 -4.514 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.193 -13.429 -4.501 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.569 -13.964 -2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.824 -14.709 -3.222 1.00 0.00 H new ATOM 1024 N GLU A 63 1.074 -12.355 -7.866 1.00 0.00 N ATOM 1025 CA GLU A 63 1.731 -13.658 -8.001 1.00 0.00 C ATOM 1026 C GLU A 63 3.240 -13.501 -8.218 1.00 0.00 C ATOM 1027 O GLU A 63 4.035 -14.309 -7.730 1.00 0.00 O ATOM 1028 CB GLU A 63 1.087 -14.409 -9.179 1.00 0.00 C ATOM 1029 CG GLU A 63 1.535 -15.865 -9.334 1.00 0.00 C ATOM 1030 CD GLU A 63 1.230 -16.718 -8.103 1.00 0.00 C ATOM 1031 OE1 GLU A 63 0.043 -16.827 -7.719 1.00 0.00 O ATOM 1032 OE2 GLU A 63 2.170 -17.335 -7.555 1.00 0.00 O ATOM 0 H GLU A 63 0.367 -12.173 -8.578 1.00 0.00 H new ATOM 0 HA GLU A 63 1.598 -14.226 -7.080 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.004 -14.388 -9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.314 -13.874 -10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.041 -16.301 -10.203 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.607 -15.891 -9.530 1.00 0.00 H new ATOM 1039 N LEU A 64 3.635 -12.460 -8.958 1.00 0.00 N ATOM 1040 CA LEU A 64 5.029 -12.198 -9.288 1.00 0.00 C ATOM 1041 C LEU A 64 5.697 -11.373 -8.204 1.00 0.00 C ATOM 1042 O LEU A 64 6.908 -11.483 -8.048 1.00 0.00 O ATOM 1043 CB LEU A 64 5.143 -11.474 -10.642 1.00 0.00 C ATOM 1044 CG LEU A 64 5.154 -12.421 -11.855 1.00 0.00 C ATOM 1045 CD1 LEU A 64 6.299 -13.436 -11.810 1.00 0.00 C ATOM 1046 CD2 LEU A 64 3.855 -13.210 -11.964 1.00 0.00 C ATOM 0 H LEU A 64 2.987 -11.774 -9.345 1.00 0.00 H new ATOM 0 HA LEU A 64 5.539 -13.159 -9.359 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.309 -10.779 -10.743 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.056 -10.879 -10.649 1.00 0.00 H new ATOM 0 HG LEU A 64 5.283 -11.767 -12.718 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.253 -14.075 -12.692 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.253 -12.908 -11.793 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.207 -14.048 -10.913 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.900 -13.867 -12.832 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.716 -13.808 -11.063 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.018 -12.520 -12.075 1.00 0.00 H new ATOM 1058 N TYR A 65 4.936 -10.557 -7.475 1.00 0.00 N ATOM 1059 CA TYR A 65 5.344 -9.881 -6.252 1.00 0.00 C ATOM 1060 C TYR A 65 5.714 -10.876 -5.161 1.00 0.00 C ATOM 1061 O TYR A 65 6.749 -10.703 -4.517 1.00 0.00 O ATOM 1062 CB TYR A 65 4.228 -8.944 -5.796 1.00 0.00 C ATOM 1063 CG TYR A 65 4.378 -8.449 -4.378 1.00 0.00 C ATOM 1064 CD1 TYR A 65 5.376 -7.508 -4.072 1.00 0.00 C ATOM 1065 CD2 TYR A 65 3.571 -8.996 -3.359 1.00 0.00 C ATOM 1066 CE1 TYR A 65 5.562 -7.099 -2.744 1.00 0.00 C ATOM 1067 CE2 TYR A 65 3.733 -8.570 -2.031 1.00 0.00 C ATOM 1068 CZ TYR A 65 4.730 -7.616 -1.723 1.00 0.00 C ATOM 1069 OH TYR A 65 4.899 -7.204 -0.442 1.00 0.00 O ATOM 0 H TYR A 65 3.974 -10.342 -7.737 1.00 0.00 H new ATOM 0 HA TYR A 65 6.239 -9.293 -6.456 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.192 -8.086 -6.467 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.273 -9.461 -5.889 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.997 -7.102 -4.857 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.829 -9.742 -3.600 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.340 -6.390 -2.501 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.101 -8.968 -1.251 1.00 0.00 H new ATOM 0 HH TYR A 65 4.113 -7.452 0.088 1.00 0.00 H new ATOM 1079 N ASP A 66 4.904 -11.924 -4.985 1.00 0.00 N ATOM 1080 CA ASP A 66 5.008 -12.880 -3.881 1.00 0.00 C ATOM 1081 C ASP A 66 6.395 -13.526 -3.820 1.00 0.00 C ATOM 1082 O ASP A 66 6.868 -13.885 -2.740 1.00 0.00 O ATOM 1083 CB ASP A 66 3.919 -13.956 -4.026 1.00 0.00 C ATOM 1084 CG ASP A 66 3.522 -14.560 -2.678 1.00 0.00 C ATOM 1085 OD1 ASP A 66 2.834 -13.859 -1.898 1.00 0.00 O ATOM 1086 OD2 ASP A 66 3.801 -15.757 -2.431 1.00 0.00 O ATOM 0 H ASP A 66 4.138 -12.136 -5.624 1.00 0.00 H new ATOM 0 HA ASP A 66 4.862 -12.338 -2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.040 -13.519 -4.500 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.277 -14.747 -4.685 1.00 0.00 H new ATOM 1091 N LYS A 67 7.079 -13.594 -4.968 1.00 0.00 N ATOM 1092 CA LYS A 67 8.460 -14.046 -5.103 1.00 0.00 C ATOM 1093 C LYS A 67 9.293 -13.140 -6.032 1.00 0.00 C ATOM 1094 O LYS A 67 10.177 -13.635 -6.738 1.00 0.00 O ATOM 1095 CB LYS A 67 8.442 -15.527 -5.517 1.00 0.00 C ATOM 1096 CG LYS A 67 7.844 -15.762 -6.915 1.00 0.00 C ATOM 1097 CD LYS A 67 8.097 -17.197 -7.392 1.00 0.00 C ATOM 1098 CE LYS A 67 8.299 -17.186 -8.906 1.00 0.00 C ATOM 1099 NZ LYS A 67 8.629 -18.519 -9.451 1.00 0.00 N ATOM 0 H LYS A 67 6.665 -13.324 -5.861 1.00 0.00 H new ATOM 0 HA LYS A 67 8.974 -13.965 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.460 -15.915 -5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.869 -16.095 -4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.772 -15.567 -6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.281 -15.058 -7.623 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.976 -17.609 -6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.254 -17.836 -7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.393 -16.817 -9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.099 -16.489 -9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.755 -18.451 -10.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.509 -18.864 -9.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.856 -19.182 -9.239 1.00 0.00 H new ATOM 1113 N GLY A 68 9.020 -11.834 -6.088 1.00 0.00 N ATOM 1114 CA GLY A 68 9.777 -10.915 -6.932 1.00 0.00 C ATOM 1115 C GLY A 68 9.274 -9.472 -6.859 1.00 0.00 C ATOM 1116 O GLY A 68 9.796 -8.684 -6.079 1.00 0.00 O ATOM 0 H GLY A 68 8.274 -11.390 -5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.826 -10.942 -6.637 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.728 -11.258 -7.966 1.00 0.00 H new ATOM 1120 N GLY A 69 8.292 -9.086 -7.686 1.00 0.00 N ATOM 1121 CA GLY A 69 7.710 -7.733 -7.710 1.00 0.00 C ATOM 1122 C GLY A 69 8.478 -6.766 -8.607 1.00 0.00 C ATOM 1123 O GLY A 69 8.067 -5.621 -8.799 1.00 0.00 O ATOM 0 H GLY A 69 7.871 -9.715 -8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.677 -7.794 -8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.686 -7.336 -6.695 1.00 0.00 H new ATOM 1127 N GLU A 70 9.565 -7.241 -9.200 1.00 0.00 N ATOM 1128 CA GLU A 70 10.478 -6.544 -10.099 1.00 0.00 C ATOM 1129 C GLU A 70 10.517 -7.218 -11.481 1.00 0.00 C ATOM 1130 O GLU A 70 11.450 -7.108 -12.280 1.00 0.00 O ATOM 1131 CB GLU A 70 11.814 -6.427 -9.392 1.00 0.00 C ATOM 1132 CG GLU A 70 12.459 -7.757 -8.968 1.00 0.00 C ATOM 1133 CD GLU A 70 13.558 -7.496 -7.938 1.00 0.00 C ATOM 1134 OE1 GLU A 70 13.240 -7.264 -6.745 1.00 0.00 O ATOM 1135 OE2 GLU A 70 14.752 -7.541 -8.304 1.00 0.00 O ATOM 0 H GLU A 70 9.856 -8.207 -9.052 1.00 0.00 H new ATOM 0 HA GLU A 70 10.139 -5.532 -10.321 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.507 -5.900 -10.048 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.682 -5.808 -8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.703 -8.420 -8.547 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.877 -8.263 -9.839 1.00 0.00 H new ATOM 1142 N GLN A 71 9.446 -7.947 -11.741 1.00 0.00 N ATOM 1143 CA GLN A 71 8.946 -8.473 -12.993 1.00 0.00 C ATOM 1144 C GLN A 71 7.432 -8.316 -12.947 1.00 0.00 C ATOM 1145 O GLN A 71 6.885 -8.073 -11.841 1.00 0.00 O ATOM 1146 CB GLN A 71 9.413 -9.921 -13.194 1.00 0.00 C ATOM 1147 CG GLN A 71 8.788 -10.897 -12.191 1.00 0.00 C ATOM 1148 CD GLN A 71 9.773 -11.928 -11.646 1.00 0.00 C ATOM 1149 OE1 GLN A 71 10.600 -12.497 -12.357 1.00 0.00 O ATOM 1150 NE2 GLN A 71 9.693 -12.203 -10.355 1.00 0.00 N ATOM 0 H GLN A 71 8.828 -8.217 -10.976 1.00 0.00 H new ATOM 0 HA GLN A 71 9.335 -7.934 -13.857 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.164 -10.240 -14.206 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.499 -9.962 -13.105 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.370 -10.331 -11.359 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.959 -11.417 -12.671 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.004 -11.726 -9.774 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.320 -12.892 -9.941 1.00 0.00 H new TER 1159 GLN A 71