USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 612 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 29 MET CE :methyl 158:sc= -0.139 (180deg=-0.189) USER MOD Set 1.2: A 30 LYS NZ :NH3+ 141:sc= -0.259 (180deg=-1.63!) USER MOD Set 2.1: A 5 TYR OH : rot -25:sc= 0.985 USER MOD Set 2.2: A 68 TYR OH : rot -69:sc= 1.19 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0308 X(o=-0.031,f=0) USER MOD Single : A 6 TYR OH : rot -81:sc= -4.97! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -170:sc= 0.761 (180deg=0.709) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= -2.17 USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= -0.71 (180deg=-2.24!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -11.4! C(o=-11!,f=-13!) USER MOD Single : A 36 ASN : amide:sc= -11.3! C(o=-11!,f=-13!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -149:sc= -0.0163 (180deg=-0.727) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -30:sc= 1.32 USER MOD Single : A 57 THR OG1 : rot -5:sc= -2.07! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0.0254 X(o=0.025,f=0.25) USER MOD Single : A 70 HIS : no HD1:sc= -0.843 K(o=-0.84,f=0.032) USER MOD Single : A 75 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 70.774 -12.736 3.320 1.00 0.00 N ATOM 2 CA ALA A 1 71.225 -12.263 1.979 1.00 0.00 C ATOM 3 C ALA A 1 70.338 -11.111 1.499 1.00 0.00 C ATOM 4 O ALA A 1 70.806 -10.020 1.242 1.00 0.00 O ATOM 5 CB ALA A 1 71.072 -13.475 1.061 1.00 0.00 C ATOM 0 H1 ALA A 1 71.383 -13.518 3.635 1.00 0.00 H new ATOM 0 H2 ALA A 1 70.834 -11.953 4.002 1.00 0.00 H new ATOM 0 H3 ALA A 1 69.790 -13.067 3.258 1.00 0.00 H new ATOM 0 HA ALA A 1 72.249 -11.890 1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 1 71.385 -13.208 0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 1 71.693 -14.291 1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 1 70.029 -13.791 1.046 1.00 0.00 H new ATOM 13 N LYS A 2 69.061 -11.348 1.374 1.00 0.00 N ATOM 14 CA LYS A 2 68.144 -10.269 0.907 1.00 0.00 C ATOM 15 C LYS A 2 67.839 -9.294 2.047 1.00 0.00 C ATOM 16 O LYS A 2 68.320 -9.446 3.153 1.00 0.00 O ATOM 17 CB LYS A 2 66.874 -10.995 0.464 1.00 0.00 C ATOM 18 CG LYS A 2 66.868 -11.129 -1.060 1.00 0.00 C ATOM 19 CD LYS A 2 65.453 -10.881 -1.586 1.00 0.00 C ATOM 20 CE LYS A 2 65.047 -12.022 -2.521 1.00 0.00 C ATOM 21 NZ LYS A 2 64.304 -11.362 -3.630 1.00 0.00 N ATOM 0 H LYS A 2 68.613 -12.242 1.575 1.00 0.00 H new ATOM 0 HA LYS A 2 68.580 -9.679 0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 2 66.826 -11.981 0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 2 65.993 -10.444 0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 2 67.563 -10.414 -1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 2 67.207 -12.124 -1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 2 64.752 -10.812 -0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 2 65.413 -9.930 -2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 2 65.920 -12.557 -2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 2 64.422 -12.752 -2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 63.992 -12.080 -4.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 63.475 -10.866 -3.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 64.926 -10.678 -4.106 1.00 0.00 H new ATOM 35 N GLN A 3 67.042 -8.293 1.785 1.00 0.00 N ATOM 36 CA GLN A 3 66.706 -7.307 2.851 1.00 0.00 C ATOM 37 C GLN A 3 65.186 -7.196 3.010 1.00 0.00 C ATOM 38 O GLN A 3 64.437 -7.981 2.463 1.00 0.00 O ATOM 39 CB GLN A 3 67.290 -5.982 2.360 1.00 0.00 C ATOM 40 CG GLN A 3 68.515 -5.619 3.202 1.00 0.00 C ATOM 41 CD GLN A 3 69.774 -5.704 2.336 1.00 0.00 C ATOM 42 OE1 GLN A 3 70.644 -6.514 2.587 1.00 0.00 O ATOM 43 NE2 GLN A 3 69.908 -4.894 1.322 1.00 0.00 N ATOM 0 H GLN A 3 66.609 -8.116 0.878 1.00 0.00 H new ATOM 0 HA GLN A 3 67.107 -7.596 3.823 1.00 0.00 H new ATOM 0 HB2 GLN A 3 67.569 -6.063 1.309 1.00 0.00 H new ATOM 0 HB3 GLN A 3 66.540 -5.194 2.431 1.00 0.00 H new ATOM 0 HG2 GLN A 3 68.406 -4.613 3.606 1.00 0.00 H new ATOM 0 HG3 GLN A 3 68.599 -6.296 4.052 1.00 0.00 H new ATOM 0 HE21 GLN A 3 69.177 -4.214 1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 3 70.744 -4.940 0.739 1.00 0.00 H new ATOM 52 N ASP A 4 64.725 -6.226 3.754 1.00 0.00 N ATOM 53 CA ASP A 4 63.250 -6.069 3.943 1.00 0.00 C ATOM 54 C ASP A 4 62.844 -4.623 3.759 1.00 0.00 C ATOM 55 O ASP A 4 63.113 -3.777 4.574 1.00 0.00 O ATOM 56 CB ASP A 4 62.919 -6.539 5.375 1.00 0.00 C ATOM 57 CG ASP A 4 64.178 -7.009 6.117 1.00 0.00 C ATOM 58 OD1 ASP A 4 65.069 -6.197 6.307 1.00 0.00 O ATOM 59 OD2 ASP A 4 64.227 -8.173 6.482 1.00 0.00 O ATOM 0 H ASP A 4 65.302 -5.538 4.238 1.00 0.00 H new ATOM 0 HA ASP A 4 62.705 -6.660 3.207 1.00 0.00 H new ATOM 0 HB2 ASP A 4 62.452 -5.724 5.928 1.00 0.00 H new ATOM 0 HB3 ASP A 4 62.194 -7.352 5.334 1.00 0.00 H new ATOM 64 N TYR A 5 62.193 -4.358 2.676 1.00 0.00 N ATOM 65 CA TYR A 5 61.729 -2.966 2.385 1.00 0.00 C ATOM 66 C TYR A 5 61.148 -2.329 3.645 1.00 0.00 C ATOM 67 O TYR A 5 61.624 -1.313 4.104 1.00 0.00 O ATOM 68 CB TYR A 5 60.670 -3.049 1.273 1.00 0.00 C ATOM 69 CG TYR A 5 60.450 -4.469 0.826 1.00 0.00 C ATOM 70 CD1 TYR A 5 59.648 -5.324 1.580 1.00 0.00 C ATOM 71 CD2 TYR A 5 61.077 -4.926 -0.336 1.00 0.00 C ATOM 72 CE1 TYR A 5 59.464 -6.650 1.168 1.00 0.00 C ATOM 73 CE2 TYR A 5 60.895 -6.249 -0.753 1.00 0.00 C ATOM 74 CZ TYR A 5 60.087 -7.112 0.000 1.00 0.00 C ATOM 75 OH TYR A 5 59.913 -8.420 -0.406 1.00 0.00 O ATOM 0 H TYR A 5 61.954 -5.048 1.963 1.00 0.00 H new ATOM 0 HA TYR A 5 62.562 -2.343 2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 5 59.730 -2.630 1.632 1.00 0.00 H new ATOM 0 HB3 TYR A 5 60.985 -2.444 0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 5 59.170 -4.965 2.479 1.00 0.00 H new ATOM 0 HD2 TYR A 5 61.701 -4.259 -0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 5 58.843 -7.316 1.749 1.00 0.00 H new ATOM 0 HE2 TYR A 5 61.376 -6.604 -1.652 1.00 0.00 H new ATOM 0 HH TYR A 5 59.694 -8.977 0.370 1.00 0.00 H new ATOM 85 N TYR A 6 60.140 -2.914 4.231 1.00 0.00 N ATOM 86 CA TYR A 6 59.592 -2.315 5.474 1.00 0.00 C ATOM 87 C TYR A 6 60.761 -2.015 6.409 1.00 0.00 C ATOM 88 O TYR A 6 60.736 -1.101 7.205 1.00 0.00 O ATOM 89 CB TYR A 6 58.668 -3.385 6.041 1.00 0.00 C ATOM 90 CG TYR A 6 57.666 -3.771 4.982 1.00 0.00 C ATOM 91 CD1 TYR A 6 56.658 -2.870 4.621 1.00 0.00 C ATOM 92 CD2 TYR A 6 57.739 -5.025 4.368 1.00 0.00 C ATOM 93 CE1 TYR A 6 55.721 -3.224 3.647 1.00 0.00 C ATOM 94 CE2 TYR A 6 56.803 -5.378 3.391 1.00 0.00 C ATOM 95 CZ TYR A 6 55.793 -4.478 3.031 1.00 0.00 C ATOM 96 OH TYR A 6 54.868 -4.828 2.072 1.00 0.00 O ATOM 0 H TYR A 6 59.681 -3.766 3.908 1.00 0.00 H new ATOM 0 HA TYR A 6 59.050 -1.382 5.323 1.00 0.00 H new ATOM 0 HB2 TYR A 6 59.245 -4.257 6.351 1.00 0.00 H new ATOM 0 HB3 TYR A 6 58.156 -3.011 6.927 1.00 0.00 H new ATOM 0 HD1 TYR A 6 56.604 -1.901 5.095 1.00 0.00 H new ATOM 0 HD2 TYR A 6 58.517 -5.720 4.648 1.00 0.00 H new ATOM 0 HE1 TYR A 6 54.941 -2.530 3.370 1.00 0.00 H new ATOM 0 HE2 TYR A 6 56.859 -6.345 2.914 1.00 0.00 H new ATOM 0 HH TYR A 6 54.045 -5.133 2.507 1.00 0.00 H new ATOM 106 N GLU A 7 61.815 -2.756 6.267 1.00 0.00 N ATOM 107 CA GLU A 7 63.024 -2.508 7.087 1.00 0.00 C ATOM 108 C GLU A 7 63.906 -1.519 6.335 1.00 0.00 C ATOM 109 O GLU A 7 64.613 -0.719 6.915 1.00 0.00 O ATOM 110 CB GLU A 7 63.712 -3.867 7.218 1.00 0.00 C ATOM 111 CG GLU A 7 64.647 -3.849 8.428 1.00 0.00 C ATOM 112 CD GLU A 7 64.737 -5.254 9.025 1.00 0.00 C ATOM 113 OE1 GLU A 7 63.746 -5.708 9.575 1.00 0.00 O ATOM 114 OE2 GLU A 7 65.795 -5.853 8.925 1.00 0.00 O ATOM 0 H GLU A 7 61.892 -3.532 5.610 1.00 0.00 H new ATOM 0 HA GLU A 7 62.806 -2.091 8.070 1.00 0.00 H new ATOM 0 HB2 GLU A 7 62.967 -4.654 7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 7 64.276 -4.090 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 7 65.637 -3.505 8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 7 64.277 -3.148 9.176 1.00 0.00 H new ATOM 121 N ILE A 8 63.851 -1.574 5.030 1.00 0.00 N ATOM 122 CA ILE A 8 64.662 -0.650 4.208 1.00 0.00 C ATOM 123 C ILE A 8 64.398 0.780 4.646 1.00 0.00 C ATOM 124 O ILE A 8 65.283 1.497 5.071 1.00 0.00 O ATOM 125 CB ILE A 8 64.188 -0.848 2.768 1.00 0.00 C ATOM 126 CG1 ILE A 8 64.729 -2.185 2.249 1.00 0.00 C ATOM 127 CG2 ILE A 8 64.725 0.282 1.882 1.00 0.00 C ATOM 128 CD1 ILE A 8 64.514 -2.272 0.736 1.00 0.00 C ATOM 0 H ILE A 8 63.272 -2.227 4.501 1.00 0.00 H new ATOM 0 HA ILE A 8 65.730 -0.844 4.309 1.00 0.00 H new ATOM 0 HB ILE A 8 63.098 -0.842 2.741 1.00 0.00 H new ATOM 0 HG12 ILE A 8 65.790 -2.275 2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 8 64.223 -3.012 2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 8 64.383 0.135 0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 8 64.359 1.240 2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 8 65.815 0.276 1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 8 64.899 -3.223 0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 8 63.449 -2.202 0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 8 65.041 -1.453 0.246 1.00 0.00 H new ATOM 140 N LEU A 9 63.173 1.196 4.528 1.00 0.00 N ATOM 141 CA LEU A 9 62.812 2.590 4.920 1.00 0.00 C ATOM 142 C LEU A 9 62.363 2.637 6.382 1.00 0.00 C ATOM 143 O LEU A 9 61.482 3.397 6.733 1.00 0.00 O ATOM 144 CB LEU A 9 61.666 2.971 3.986 1.00 0.00 C ATOM 145 CG LEU A 9 62.006 2.564 2.552 1.00 0.00 C ATOM 146 CD1 LEU A 9 60.917 1.636 2.014 1.00 0.00 C ATOM 147 CD2 LEU A 9 62.086 3.810 1.670 1.00 0.00 C ATOM 0 H LEU A 9 62.400 0.632 4.176 1.00 0.00 H new ATOM 0 HA LEU A 9 63.654 3.277 4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 9 60.747 2.479 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 9 61.487 4.045 4.036 1.00 0.00 H new ATOM 0 HG LEU A 9 62.966 2.048 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 9 61.159 1.346 0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 9 60.856 0.745 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 9 59.958 2.154 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 9 62.328 3.518 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 9 61.126 4.326 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 9 62.861 4.476 2.050 1.00 0.00 H new ATOM 159 N GLY A 10 62.935 1.828 7.238 1.00 0.00 N ATOM 160 CA GLY A 10 62.490 1.842 8.665 1.00 0.00 C ATOM 161 C GLY A 10 60.964 1.832 8.672 1.00 0.00 C ATOM 162 O GLY A 10 60.319 2.371 9.549 1.00 0.00 O ATOM 0 H GLY A 10 63.680 1.168 7.016 1.00 0.00 H new ATOM 0 HA2 GLY A 10 62.881 0.975 9.197 1.00 0.00 H new ATOM 0 HA3 GLY A 10 62.870 2.727 9.176 1.00 0.00 H new ATOM 166 N VAL A 11 60.397 1.236 7.663 1.00 0.00 N ATOM 167 CA VAL A 11 58.915 1.183 7.527 1.00 0.00 C ATOM 168 C VAL A 11 58.343 -0.045 8.217 1.00 0.00 C ATOM 169 O VAL A 11 58.569 -1.155 7.788 1.00 0.00 O ATOM 170 CB VAL A 11 58.705 1.078 6.008 1.00 0.00 C ATOM 171 CG1 VAL A 11 57.359 0.436 5.654 1.00 0.00 C ATOM 172 CG2 VAL A 11 58.752 2.469 5.408 1.00 0.00 C ATOM 0 H VAL A 11 60.908 0.774 6.911 1.00 0.00 H new ATOM 0 HA VAL A 11 58.422 2.043 7.980 1.00 0.00 H new ATOM 0 HB VAL A 11 59.497 0.446 5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.255 0.383 4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 11 57.314 -0.569 6.073 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.549 1.037 6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 11 58.604 2.405 4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 11 57.964 3.081 5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 11 59.722 2.922 5.615 1.00 0.00 H new ATOM 182 N SER A 12 57.546 0.130 9.239 1.00 0.00 N ATOM 183 CA SER A 12 56.927 -1.066 9.865 1.00 0.00 C ATOM 184 C SER A 12 56.390 -1.923 8.726 1.00 0.00 C ATOM 185 O SER A 12 56.002 -1.393 7.707 1.00 0.00 O ATOM 186 CB SER A 12 55.791 -0.530 10.737 1.00 0.00 C ATOM 187 OG SER A 12 55.104 -1.620 11.337 1.00 0.00 O ATOM 0 H SER A 12 57.303 1.029 9.656 1.00 0.00 H new ATOM 0 HA SER A 12 57.610 -1.663 10.468 1.00 0.00 H new ATOM 0 HB2 SER A 12 56.189 0.132 11.506 1.00 0.00 H new ATOM 0 HB3 SER A 12 55.102 0.061 10.134 1.00 0.00 H new ATOM 0 HG SER A 12 54.376 -1.279 11.898 1.00 0.00 H new ATOM 193 N LYS A 13 56.397 -3.221 8.842 1.00 0.00 N ATOM 194 CA LYS A 13 55.906 -4.042 7.698 1.00 0.00 C ATOM 195 C LYS A 13 54.659 -3.406 7.090 1.00 0.00 C ATOM 196 O LYS A 13 54.361 -3.581 5.926 1.00 0.00 O ATOM 197 CB LYS A 13 55.624 -5.425 8.254 1.00 0.00 C ATOM 198 CG LYS A 13 54.800 -5.313 9.538 1.00 0.00 C ATOM 199 CD LYS A 13 53.663 -6.337 9.506 1.00 0.00 C ATOM 200 CE LYS A 13 54.181 -7.688 10.004 1.00 0.00 C ATOM 201 NZ LYS A 13 53.801 -8.660 8.942 1.00 0.00 N ATOM 0 H LYS A 13 56.714 -3.742 9.660 1.00 0.00 H new ATOM 0 HA LYS A 13 56.641 -4.103 6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 13 55.085 -6.020 7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 13 56.561 -5.943 8.457 1.00 0.00 H new ATOM 0 HG2 LYS A 13 55.435 -5.486 10.407 1.00 0.00 H new ATOM 0 HG3 LYS A 13 54.394 -4.306 9.636 1.00 0.00 H new ATOM 0 HD2 LYS A 13 52.837 -5.999 10.131 1.00 0.00 H new ATOM 0 HD3 LYS A 13 53.276 -6.435 8.492 1.00 0.00 H new ATOM 0 HE2 LYS A 13 55.261 -7.667 10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 13 53.733 -7.954 10.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 53.968 -9.629 9.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 52.794 -8.544 8.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 54.375 -8.488 8.092 1.00 0.00 H new ATOM 215 N THR A 14 53.953 -2.635 7.864 1.00 0.00 N ATOM 216 CA THR A 14 52.755 -1.947 7.336 1.00 0.00 C ATOM 217 C THR A 14 52.872 -0.443 7.621 1.00 0.00 C ATOM 218 O THR A 14 51.883 0.235 7.813 1.00 0.00 O ATOM 219 CB THR A 14 51.581 -2.568 8.092 1.00 0.00 C ATOM 220 OG1 THR A 14 51.529 -2.032 9.407 1.00 0.00 O ATOM 221 CG2 THR A 14 51.772 -4.086 8.162 1.00 0.00 C ATOM 0 H THR A 14 54.159 -2.453 8.846 1.00 0.00 H new ATOM 0 HA THR A 14 52.632 -2.059 6.259 1.00 0.00 H new ATOM 0 HB THR A 14 50.649 -2.342 7.574 1.00 0.00 H new ATOM 0 HG1 THR A 14 50.775 -2.428 9.892 1.00 0.00 H new ATOM 0 HG21 THR A 14 50.937 -4.533 8.701 1.00 0.00 H new ATOM 0 HG22 THR A 14 51.813 -4.494 7.152 1.00 0.00 H new ATOM 0 HG23 THR A 14 52.702 -4.312 8.683 1.00 0.00 H new ATOM 229 N ALA A 15 54.079 0.084 7.654 1.00 0.00 N ATOM 230 CA ALA A 15 54.256 1.534 7.927 1.00 0.00 C ATOM 231 C ALA A 15 53.496 2.369 6.896 1.00 0.00 C ATOM 232 O ALA A 15 52.444 1.990 6.421 1.00 0.00 O ATOM 233 CB ALA A 15 55.761 1.762 7.810 1.00 0.00 C ATOM 0 H ALA A 15 54.943 -0.436 7.502 1.00 0.00 H new ATOM 0 HA ALA A 15 53.870 1.827 8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 15 55.986 2.812 7.997 1.00 0.00 H new ATOM 0 HB2 ALA A 15 56.281 1.144 8.542 1.00 0.00 H new ATOM 0 HB3 ALA A 15 56.093 1.493 6.807 1.00 0.00 H new ATOM 239 N GLU A 16 54.022 3.504 6.553 1.00 0.00 N ATOM 240 CA GLU A 16 53.343 4.379 5.564 1.00 0.00 C ATOM 241 C GLU A 16 54.375 4.998 4.613 1.00 0.00 C ATOM 242 O GLU A 16 55.402 4.420 4.338 1.00 0.00 O ATOM 243 CB GLU A 16 52.664 5.457 6.410 1.00 0.00 C ATOM 244 CG GLU A 16 51.156 5.420 6.166 1.00 0.00 C ATOM 245 CD GLU A 16 50.780 6.486 5.135 1.00 0.00 C ATOM 246 OE1 GLU A 16 50.701 7.643 5.512 1.00 0.00 O ATOM 247 OE2 GLU A 16 50.577 6.125 3.987 1.00 0.00 O ATOM 0 H GLU A 16 54.902 3.868 6.918 1.00 0.00 H new ATOM 0 HA GLU A 16 52.630 3.839 4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 16 52.877 5.293 7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 16 53.061 6.439 6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 16 50.858 4.434 5.810 1.00 0.00 H new ATOM 0 HG3 GLU A 16 50.621 5.597 7.099 1.00 0.00 H new ATOM 254 N GLU A 17 54.102 6.167 4.110 1.00 0.00 N ATOM 255 CA GLU A 17 55.054 6.834 3.176 1.00 0.00 C ATOM 256 C GLU A 17 56.081 7.659 3.956 1.00 0.00 C ATOM 257 O GLU A 17 57.235 7.743 3.585 1.00 0.00 O ATOM 258 CB GLU A 17 54.173 7.740 2.314 1.00 0.00 C ATOM 259 CG GLU A 17 55.038 8.794 1.627 1.00 0.00 C ATOM 260 CD GLU A 17 54.866 10.139 2.335 1.00 0.00 C ATOM 261 OE1 GLU A 17 53.899 10.282 3.066 1.00 0.00 O ATOM 262 OE2 GLU A 17 55.702 11.004 2.135 1.00 0.00 O ATOM 0 H GLU A 17 53.252 6.696 4.307 1.00 0.00 H new ATOM 0 HA GLU A 17 55.621 6.120 2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 17 53.644 7.147 1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.416 8.223 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 17 56.085 8.491 1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 17 54.755 8.885 0.578 1.00 0.00 H new ATOM 269 N ARG A 18 55.672 8.272 5.030 1.00 0.00 N ATOM 270 CA ARG A 18 56.630 9.092 5.828 1.00 0.00 C ATOM 271 C ARG A 18 57.971 8.358 5.967 1.00 0.00 C ATOM 272 O ARG A 18 58.922 8.649 5.275 1.00 0.00 O ATOM 273 CB ARG A 18 55.963 9.291 7.198 1.00 0.00 C ATOM 274 CG ARG A 18 55.154 8.047 7.591 1.00 0.00 C ATOM 275 CD ARG A 18 55.348 7.764 9.082 1.00 0.00 C ATOM 276 NE ARG A 18 54.191 6.909 9.465 1.00 0.00 N ATOM 277 CZ ARG A 18 53.654 7.027 10.650 1.00 0.00 C ATOM 278 NH1 ARG A 18 53.149 8.170 11.027 1.00 0.00 N ATOM 279 NH2 ARG A 18 53.619 6.001 11.456 1.00 0.00 N ATOM 0 H ARG A 18 54.719 8.242 5.391 1.00 0.00 H new ATOM 0 HA ARG A 18 56.846 10.048 5.352 1.00 0.00 H new ATOM 0 HB2 ARG A 18 56.723 9.490 7.953 1.00 0.00 H new ATOM 0 HB3 ARG A 18 55.309 10.162 7.167 1.00 0.00 H new ATOM 0 HG2 ARG A 18 54.097 8.203 7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.477 7.189 7.002 1.00 0.00 H new ATOM 0 HD2 ARG A 18 56.294 7.255 9.267 1.00 0.00 H new ATOM 0 HD3 ARG A 18 55.365 8.688 9.660 1.00 0.00 H new ATOM 0 HE ARG A 18 53.817 6.230 8.802 1.00 0.00 H new ATOM 0 HH11 ARG A 18 53.174 8.971 10.396 1.00 0.00 H new ATOM 0 HH12 ARG A 18 52.730 8.262 11.952 1.00 0.00 H new ATOM 0 HH21 ARG A 18 54.011 5.107 11.161 1.00 0.00 H new ATOM 0 HH22 ARG A 18 53.200 6.093 12.381 1.00 0.00 H new ATOM 293 N GLU A 19 58.053 7.398 6.839 1.00 0.00 N ATOM 294 CA GLU A 19 59.319 6.647 7.001 1.00 0.00 C ATOM 295 C GLU A 19 59.853 6.282 5.622 1.00 0.00 C ATOM 296 O GLU A 19 61.044 6.164 5.413 1.00 0.00 O ATOM 297 CB GLU A 19 58.939 5.399 7.803 1.00 0.00 C ATOM 298 CG GLU A 19 57.596 4.844 7.319 1.00 0.00 C ATOM 299 CD GLU A 19 56.531 5.077 8.393 1.00 0.00 C ATOM 300 OE1 GLU A 19 56.902 5.209 9.548 1.00 0.00 O ATOM 301 OE2 GLU A 19 55.363 5.119 8.043 1.00 0.00 O ATOM 0 H GLU A 19 57.292 7.101 7.449 1.00 0.00 H new ATOM 0 HA GLU A 19 60.099 7.214 7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 19 59.714 4.640 7.696 1.00 0.00 H new ATOM 0 HB3 GLU A 19 58.878 5.645 8.863 1.00 0.00 H new ATOM 0 HG2 GLU A 19 57.303 5.331 6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 19 57.686 3.779 7.106 1.00 0.00 H new ATOM 308 N ILE A 20 58.975 6.138 4.668 1.00 0.00 N ATOM 309 CA ILE A 20 59.426 5.820 3.290 1.00 0.00 C ATOM 310 C ILE A 20 60.169 7.032 2.740 1.00 0.00 C ATOM 311 O ILE A 20 61.185 6.913 2.084 1.00 0.00 O ATOM 312 CB ILE A 20 58.131 5.534 2.504 1.00 0.00 C ATOM 313 CG1 ILE A 20 58.130 4.076 2.062 1.00 0.00 C ATOM 314 CG2 ILE A 20 58.018 6.430 1.262 1.00 0.00 C ATOM 315 CD1 ILE A 20 57.293 3.265 3.039 1.00 0.00 C ATOM 0 H ILE A 20 57.966 6.227 4.786 1.00 0.00 H new ATOM 0 HA ILE A 20 60.104 4.969 3.230 1.00 0.00 H new ATOM 0 HB ILE A 20 57.283 5.742 3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 20 57.724 3.988 1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 20 59.149 3.691 2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 20 57.094 6.202 0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 20 58.012 7.476 1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 20 58.868 6.249 0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 20 57.286 2.219 2.731 1.00 0.00 H new ATOM 0 HD12 ILE A 20 57.720 3.346 4.039 1.00 0.00 H new ATOM 0 HD13 ILE A 20 56.272 3.647 3.048 1.00 0.00 H new ATOM 327 N ARG A 21 59.669 8.203 3.018 1.00 0.00 N ATOM 328 CA ARG A 21 60.356 9.429 2.523 1.00 0.00 C ATOM 329 C ARG A 21 61.403 9.870 3.541 1.00 0.00 C ATOM 330 O ARG A 21 62.309 10.607 3.235 1.00 0.00 O ATOM 331 CB ARG A 21 59.255 10.489 2.350 1.00 0.00 C ATOM 332 CG ARG A 21 58.984 11.220 3.674 1.00 0.00 C ATOM 333 CD ARG A 21 60.063 12.281 3.919 1.00 0.00 C ATOM 334 NE ARG A 21 59.336 13.581 3.891 1.00 0.00 N ATOM 335 CZ ARG A 21 59.986 14.697 4.073 1.00 0.00 C ATOM 336 NH1 ARG A 21 60.551 15.294 3.058 1.00 0.00 N ATOM 337 NH2 ARG A 21 60.071 15.217 5.266 1.00 0.00 N ATOM 0 H ARG A 21 58.821 8.365 3.562 1.00 0.00 H new ATOM 0 HA ARG A 21 60.877 9.264 1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 21 59.554 11.208 1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 21 58.339 10.014 1.998 1.00 0.00 H new ATOM 0 HG2 ARG A 21 58.001 11.690 3.645 1.00 0.00 H new ATOM 0 HG3 ARG A 21 58.972 10.506 4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 21 60.559 12.126 4.877 1.00 0.00 H new ATOM 0 HD3 ARG A 21 60.835 12.244 3.151 1.00 0.00 H new ATOM 0 HE ARG A 21 58.329 13.598 3.729 1.00 0.00 H new ATOM 0 HH11 ARG A 21 60.483 14.887 2.125 1.00 0.00 H new ATOM 0 HH12 ARG A 21 61.060 16.167 3.198 1.00 0.00 H new ATOM 0 HH21 ARG A 21 59.629 14.751 6.058 1.00 0.00 H new ATOM 0 HH22 ARG A 21 60.580 16.090 5.407 1.00 0.00 H new ATOM 351 N LYS A 22 61.261 9.434 4.755 1.00 0.00 N ATOM 352 CA LYS A 22 62.222 9.819 5.816 1.00 0.00 C ATOM 353 C LYS A 22 63.392 8.829 5.897 1.00 0.00 C ATOM 354 O LYS A 22 64.539 9.212 6.005 1.00 0.00 O ATOM 355 CB LYS A 22 61.398 9.778 7.104 1.00 0.00 C ATOM 356 CG LYS A 22 62.335 9.744 8.313 1.00 0.00 C ATOM 357 CD LYS A 22 63.409 10.821 8.157 1.00 0.00 C ATOM 358 CE LYS A 22 62.818 12.180 8.539 1.00 0.00 C ATOM 359 NZ LYS A 22 63.699 12.692 9.624 1.00 0.00 N ATOM 0 H LYS A 22 60.508 8.818 5.062 1.00 0.00 H new ATOM 0 HA LYS A 22 62.667 10.796 5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 22 60.748 10.651 7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.753 8.900 7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.769 9.910 9.230 1.00 0.00 H new ATOM 0 HG3 LYS A 22 62.800 8.762 8.399 1.00 0.00 H new ATOM 0 HD2 LYS A 22 64.265 10.592 8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 22 63.771 10.844 7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 22 62.807 12.859 7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 22 61.788 12.080 8.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.357 13.622 9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.685 12.029 10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 64.672 12.783 9.267 1.00 0.00 H new ATOM 373 N ALA A 23 63.097 7.560 5.891 1.00 0.00 N ATOM 374 CA ALA A 23 64.165 6.523 6.023 1.00 0.00 C ATOM 375 C ALA A 23 65.089 6.464 4.801 1.00 0.00 C ATOM 376 O ALA A 23 66.229 6.056 4.910 1.00 0.00 O ATOM 377 CB ALA A 23 63.407 5.208 6.170 1.00 0.00 C ATOM 0 H ALA A 23 62.151 7.190 5.799 1.00 0.00 H new ATOM 0 HA ALA A 23 64.817 6.745 6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 23 64.118 4.388 6.273 1.00 0.00 H new ATOM 0 HB2 ALA A 23 62.772 5.251 7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 23 62.789 5.044 5.287 1.00 0.00 H new ATOM 383 N TYR A 24 64.638 6.862 3.645 1.00 0.00 N ATOM 384 CA TYR A 24 65.535 6.810 2.468 1.00 0.00 C ATOM 385 C TYR A 24 66.312 8.109 2.412 1.00 0.00 C ATOM 386 O TYR A 24 67.517 8.129 2.298 1.00 0.00 O ATOM 387 CB TYR A 24 64.611 6.667 1.258 1.00 0.00 C ATOM 388 CG TYR A 24 65.435 6.596 -0.008 1.00 0.00 C ATOM 389 CD1 TYR A 24 66.755 6.127 0.035 1.00 0.00 C ATOM 390 CD2 TYR A 24 64.879 7.003 -1.227 1.00 0.00 C ATOM 391 CE1 TYR A 24 67.515 6.067 -1.139 1.00 0.00 C ATOM 392 CE2 TYR A 24 65.639 6.943 -2.400 1.00 0.00 C ATOM 393 CZ TYR A 24 66.957 6.474 -2.356 1.00 0.00 C ATOM 394 OH TYR A 24 67.708 6.416 -3.513 1.00 0.00 O ATOM 0 H TYR A 24 63.698 7.216 3.469 1.00 0.00 H new ATOM 0 HA TYR A 24 66.251 5.989 2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 24 64.002 5.768 1.358 1.00 0.00 H new ATOM 0 HB3 TYR A 24 63.925 7.513 1.210 1.00 0.00 H new ATOM 0 HD1 TYR A 24 67.186 5.812 0.974 1.00 0.00 H new ATOM 0 HD2 TYR A 24 63.862 7.364 -1.262 1.00 0.00 H new ATOM 0 HE1 TYR A 24 68.532 5.706 -1.105 1.00 0.00 H new ATOM 0 HE2 TYR A 24 65.209 7.258 -3.339 1.00 0.00 H new ATOM 0 HH TYR A 24 67.170 6.734 -4.268 1.00 0.00 H new ATOM 404 N LYS A 25 65.612 9.193 2.519 1.00 0.00 N ATOM 405 CA LYS A 25 66.262 10.521 2.492 1.00 0.00 C ATOM 406 C LYS A 25 67.167 10.686 3.720 1.00 0.00 C ATOM 407 O LYS A 25 67.979 11.584 3.785 1.00 0.00 O ATOM 408 CB LYS A 25 65.067 11.481 2.470 1.00 0.00 C ATOM 409 CG LYS A 25 65.171 12.561 3.548 1.00 0.00 C ATOM 410 CD LYS A 25 64.419 12.085 4.794 1.00 0.00 C ATOM 411 CE LYS A 25 64.706 13.027 5.970 1.00 0.00 C ATOM 412 NZ LYS A 25 66.161 13.342 5.880 1.00 0.00 N ATOM 0 H LYS A 25 64.598 9.215 2.626 1.00 0.00 H new ATOM 0 HA LYS A 25 66.925 10.694 1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 25 65.001 11.954 1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 25 64.146 10.915 2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 25 66.216 12.755 3.789 1.00 0.00 H new ATOM 0 HG3 LYS A 25 64.748 13.498 3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 25 63.348 12.056 4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 25 64.724 11.070 5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 25 64.103 13.933 5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 25 64.465 12.552 6.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 66.507 13.652 6.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 66.682 12.493 5.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 66.310 14.101 5.185 1.00 0.00 H new ATOM 426 N ARG A 26 67.053 9.812 4.679 1.00 0.00 N ATOM 427 CA ARG A 26 67.931 9.915 5.877 1.00 0.00 C ATOM 428 C ARG A 26 69.307 9.339 5.534 1.00 0.00 C ATOM 429 O ARG A 26 70.325 9.985 5.684 1.00 0.00 O ATOM 430 CB ARG A 26 67.246 9.071 6.948 1.00 0.00 C ATOM 431 CG ARG A 26 66.280 9.951 7.738 1.00 0.00 C ATOM 432 CD ARG A 26 66.915 10.339 9.076 1.00 0.00 C ATOM 433 NE ARG A 26 68.166 11.062 8.713 1.00 0.00 N ATOM 434 CZ ARG A 26 69.271 10.822 9.365 1.00 0.00 C ATOM 435 NH1 ARG A 26 69.956 9.741 9.111 1.00 0.00 N ATOM 436 NH2 ARG A 26 69.691 11.664 10.271 1.00 0.00 N ATOM 0 H ARG A 26 66.393 9.034 4.686 1.00 0.00 H new ATOM 0 HA ARG A 26 68.075 10.942 6.213 1.00 0.00 H new ATOM 0 HB2 ARG A 26 66.708 8.243 6.487 1.00 0.00 H new ATOM 0 HB3 ARG A 26 67.989 8.636 7.616 1.00 0.00 H new ATOM 0 HG2 ARG A 26 66.037 10.847 7.166 1.00 0.00 H new ATOM 0 HG3 ARG A 26 65.344 9.419 7.909 1.00 0.00 H new ATOM 0 HD2 ARG A 26 66.248 10.973 9.660 1.00 0.00 H new ATOM 0 HD3 ARG A 26 67.129 9.458 9.681 1.00 0.00 H new ATOM 0 HE ARG A 26 68.159 11.745 7.955 1.00 0.00 H new ATOM 0 HH11 ARG A 26 69.628 9.084 8.403 1.00 0.00 H new ATOM 0 HH12 ARG A 26 70.820 9.553 9.620 1.00 0.00 H new ATOM 0 HH21 ARG A 26 69.155 12.509 10.469 1.00 0.00 H new ATOM 0 HH22 ARG A 26 70.555 11.476 10.780 1.00 0.00 H new ATOM 450 N LEU A 27 69.330 8.126 5.053 1.00 0.00 N ATOM 451 CA LEU A 27 70.618 7.486 4.664 1.00 0.00 C ATOM 452 C LEU A 27 71.046 8.010 3.299 1.00 0.00 C ATOM 453 O LEU A 27 72.211 8.029 2.953 1.00 0.00 O ATOM 454 CB LEU A 27 70.303 5.990 4.588 1.00 0.00 C ATOM 455 CG LEU A 27 69.509 5.684 3.316 1.00 0.00 C ATOM 456 CD1 LEU A 27 70.462 5.201 2.223 1.00 0.00 C ATOM 457 CD2 LEU A 27 68.478 4.592 3.611 1.00 0.00 C ATOM 0 H LEU A 27 68.503 7.546 4.912 1.00 0.00 H new ATOM 0 HA LEU A 27 71.426 7.695 5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 27 71.229 5.415 4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 27 69.732 5.686 5.465 1.00 0.00 H new ATOM 0 HG LEU A 27 68.999 6.587 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 27 69.896 4.983 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 27 71.198 5.977 2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 27 70.972 4.298 2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 27 67.911 4.373 2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 27 68.989 3.690 3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 27 67.798 4.935 4.391 1.00 0.00 H new ATOM 469 N ALA A 28 70.090 8.425 2.522 1.00 0.00 N ATOM 470 CA ALA A 28 70.385 8.943 1.167 1.00 0.00 C ATOM 471 C ALA A 28 70.956 10.353 1.263 1.00 0.00 C ATOM 472 O ALA A 28 71.877 10.707 0.552 1.00 0.00 O ATOM 473 CB ALA A 28 69.028 8.926 0.470 1.00 0.00 C ATOM 0 H ALA A 28 69.102 8.426 2.775 1.00 0.00 H new ATOM 0 HA ALA A 28 71.127 8.357 0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 28 69.138 9.295 -0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.643 7.906 0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 28 68.332 9.565 1.014 1.00 0.00 H new ATOM 479 N MET A 29 70.453 11.155 2.158 1.00 0.00 N ATOM 480 CA MET A 29 71.025 12.520 2.297 1.00 0.00 C ATOM 481 C MET A 29 72.440 12.373 2.849 1.00 0.00 C ATOM 482 O MET A 29 73.294 13.215 2.653 1.00 0.00 O ATOM 483 CB MET A 29 70.122 13.254 3.291 1.00 0.00 C ATOM 484 CG MET A 29 70.303 12.659 4.688 1.00 0.00 C ATOM 485 SD MET A 29 71.261 13.806 5.709 1.00 0.00 S ATOM 486 CE MET A 29 70.326 13.582 7.242 1.00 0.00 C ATOM 0 H MET A 29 69.684 10.930 2.789 1.00 0.00 H new ATOM 0 HA MET A 29 71.074 13.068 1.356 1.00 0.00 H new ATOM 0 HB2 MET A 29 70.366 14.316 3.303 1.00 0.00 H new ATOM 0 HB3 MET A 29 69.080 13.170 2.982 1.00 0.00 H new ATOM 0 HG2 MET A 29 69.331 12.473 5.145 1.00 0.00 H new ATOM 0 HG3 MET A 29 70.814 11.698 4.623 1.00 0.00 H new ATOM 0 HE1 MET A 29 70.944 13.873 8.091 1.00 0.00 H new ATOM 0 HE2 MET A 29 69.430 14.202 7.216 1.00 0.00 H new ATOM 0 HE3 MET A 29 70.040 12.535 7.344 1.00 0.00 H new ATOM 496 N LYS A 30 72.689 11.282 3.527 1.00 0.00 N ATOM 497 CA LYS A 30 74.045 11.036 4.087 1.00 0.00 C ATOM 498 C LYS A 30 74.912 10.311 3.052 1.00 0.00 C ATOM 499 O LYS A 30 76.119 10.244 3.180 1.00 0.00 O ATOM 500 CB LYS A 30 73.815 10.144 5.311 1.00 0.00 C ATOM 501 CG LYS A 30 73.183 10.966 6.436 1.00 0.00 C ATOM 502 CD LYS A 30 72.486 10.030 7.426 1.00 0.00 C ATOM 503 CE LYS A 30 73.231 10.052 8.764 1.00 0.00 C ATOM 504 NZ LYS A 30 73.193 11.474 9.214 1.00 0.00 N ATOM 0 H LYS A 30 72.005 10.549 3.716 1.00 0.00 H new ATOM 0 HA LYS A 30 74.560 11.960 4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 30 73.165 9.309 5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 30 74.761 9.718 5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 30 73.948 11.549 6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 30 72.465 11.675 6.023 1.00 0.00 H new ATOM 0 HD2 LYS A 30 71.451 10.341 7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 30 72.462 9.016 7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 30 72.752 9.397 9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 30 74.257 9.704 8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 73.044 11.509 10.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 74.094 11.937 8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 72.414 11.969 8.734 1.00 0.00 H new ATOM 518 N TYR A 31 74.306 9.755 2.032 1.00 0.00 N ATOM 519 CA TYR A 31 75.106 9.025 1.003 1.00 0.00 C ATOM 520 C TYR A 31 75.150 9.792 -0.312 1.00 0.00 C ATOM 521 O TYR A 31 75.780 9.375 -1.258 1.00 0.00 O ATOM 522 CB TYR A 31 74.403 7.686 0.824 1.00 0.00 C ATOM 523 CG TYR A 31 75.058 6.681 1.727 1.00 0.00 C ATOM 524 CD1 TYR A 31 76.450 6.577 1.749 1.00 0.00 C ATOM 525 CD2 TYR A 31 74.278 5.866 2.549 1.00 0.00 C ATOM 526 CE1 TYR A 31 77.069 5.655 2.594 1.00 0.00 C ATOM 527 CE2 TYR A 31 74.893 4.941 3.396 1.00 0.00 C ATOM 528 CZ TYR A 31 76.291 4.834 3.420 1.00 0.00 C ATOM 529 OH TYR A 31 76.900 3.921 4.258 1.00 0.00 O ATOM 0 H TYR A 31 73.299 9.775 1.869 1.00 0.00 H new ATOM 0 HA TYR A 31 76.143 8.904 1.316 1.00 0.00 H new ATOM 0 HB2 TYR A 31 73.344 7.779 1.065 1.00 0.00 H new ATOM 0 HB3 TYR A 31 74.466 7.361 -0.214 1.00 0.00 H new ATOM 0 HD1 TYR A 31 77.048 7.211 1.111 1.00 0.00 H new ATOM 0 HD2 TYR A 31 73.201 5.950 2.530 1.00 0.00 H new ATOM 0 HE1 TYR A 31 78.146 5.575 2.611 1.00 0.00 H new ATOM 0 HE2 TYR A 31 74.292 4.308 4.032 1.00 0.00 H new ATOM 0 HH TYR A 31 76.216 3.433 4.763 1.00 0.00 H new ATOM 539 N HIS A 32 74.496 10.908 -0.352 1.00 0.00 N ATOM 540 CA HIS A 32 74.480 11.773 -1.566 1.00 0.00 C ATOM 541 C HIS A 32 75.923 12.097 -2.020 1.00 0.00 C ATOM 542 O HIS A 32 76.786 11.259 -1.875 1.00 0.00 O ATOM 543 CB HIS A 32 73.685 12.964 -1.044 1.00 0.00 C ATOM 544 CG HIS A 32 74.478 13.631 0.048 1.00 0.00 C ATOM 545 ND1 HIS A 32 75.651 13.083 0.549 1.00 0.00 N ATOM 546 CD2 HIS A 32 74.280 14.790 0.746 1.00 0.00 C ATOM 547 CE1 HIS A 32 76.109 13.912 1.504 1.00 0.00 C ATOM 548 NE2 HIS A 32 75.311 14.970 1.664 1.00 0.00 N ATOM 0 H HIS A 32 73.952 11.274 0.429 1.00 0.00 H new ATOM 0 HA HIS A 32 74.040 11.345 -2.467 1.00 0.00 H new ATOM 0 HB2 HIS A 32 73.486 13.669 -1.851 1.00 0.00 H new ATOM 0 HB3 HIS A 32 72.718 12.635 -0.662 1.00 0.00 H new ATOM 0 HD2 HIS A 32 73.448 15.465 0.606 1.00 0.00 H new ATOM 0 HE1 HIS A 32 77.012 13.742 2.072 1.00 0.00 H new ATOM 0 HE2 HIS A 32 75.431 15.744 2.318 1.00 0.00 H new ATOM 556 N PRO A 33 76.178 13.255 -2.590 1.00 0.00 N ATOM 557 CA PRO A 33 77.557 13.536 -3.059 1.00 0.00 C ATOM 558 C PRO A 33 78.531 13.647 -1.885 1.00 0.00 C ATOM 559 O PRO A 33 79.232 14.626 -1.721 1.00 0.00 O ATOM 560 CB PRO A 33 77.425 14.838 -3.837 1.00 0.00 C ATOM 561 CG PRO A 33 76.200 15.482 -3.293 1.00 0.00 C ATOM 562 CD PRO A 33 75.283 14.389 -2.845 1.00 0.00 C ATOM 0 HA PRO A 33 77.967 12.738 -3.678 1.00 0.00 H new ATOM 0 HB2 PRO A 33 78.300 15.472 -3.698 1.00 0.00 H new ATOM 0 HB3 PRO A 33 77.332 14.652 -4.907 1.00 0.00 H new ATOM 0 HG2 PRO A 33 76.449 16.140 -2.460 1.00 0.00 H new ATOM 0 HG3 PRO A 33 75.720 16.098 -4.053 1.00 0.00 H new ATOM 0 HD2 PRO A 33 74.733 14.673 -1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 33 74.544 14.150 -3.610 1.00 0.00 H new ATOM 570 N ASP A 34 78.596 12.612 -1.097 1.00 0.00 N ATOM 571 CA ASP A 34 79.543 12.578 0.056 1.00 0.00 C ATOM 572 C ASP A 34 80.560 11.472 -0.225 1.00 0.00 C ATOM 573 O ASP A 34 81.734 11.589 0.060 1.00 0.00 O ATOM 574 CB ASP A 34 78.677 12.258 1.299 1.00 0.00 C ATOM 575 CG ASP A 34 79.141 10.966 1.988 1.00 0.00 C ATOM 576 OD1 ASP A 34 80.273 10.933 2.441 1.00 0.00 O ATOM 577 OD2 ASP A 34 78.353 10.037 2.051 1.00 0.00 O ATOM 0 H ASP A 34 78.025 11.774 -1.203 1.00 0.00 H new ATOM 0 HA ASP A 34 80.086 13.510 0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 34 78.730 13.087 2.004 1.00 0.00 H new ATOM 0 HB3 ASP A 34 77.633 12.159 1.001 1.00 0.00 H new ATOM 582 N ARG A 35 80.090 10.402 -0.801 1.00 0.00 N ATOM 583 CA ARG A 35 80.979 9.266 -1.136 1.00 0.00 C ATOM 584 C ARG A 35 80.647 8.774 -2.546 1.00 0.00 C ATOM 585 O ARG A 35 81.482 8.225 -3.230 1.00 0.00 O ATOM 586 CB ARG A 35 80.656 8.193 -0.097 1.00 0.00 C ATOM 587 CG ARG A 35 79.169 7.850 -0.172 1.00 0.00 C ATOM 588 CD ARG A 35 78.927 6.916 -1.350 1.00 0.00 C ATOM 589 NE ARG A 35 78.369 5.673 -0.752 1.00 0.00 N ATOM 590 CZ ARG A 35 79.139 4.634 -0.576 1.00 0.00 C ATOM 591 NH1 ARG A 35 79.420 3.852 -1.582 1.00 0.00 N ATOM 592 NH2 ARG A 35 79.630 4.379 0.606 1.00 0.00 N ATOM 0 H ARG A 35 79.111 10.269 -1.056 1.00 0.00 H new ATOM 0 HA ARG A 35 82.036 9.530 -1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 35 81.256 7.302 -0.279 1.00 0.00 H new ATOM 0 HB3 ARG A 35 80.909 8.549 0.902 1.00 0.00 H new ATOM 0 HG2 ARG A 35 78.846 7.376 0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 35 78.580 8.760 -0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 35 78.232 7.356 -2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 35 79.853 6.713 -1.889 1.00 0.00 H new ATOM 0 HE ARG A 35 77.387 5.633 -0.480 1.00 0.00 H new ATOM 0 HH11 ARG A 35 79.038 4.053 -2.506 1.00 0.00 H new ATOM 0 HH12 ARG A 35 80.022 3.040 -1.444 1.00 0.00 H new ATOM 0 HH21 ARG A 35 79.412 4.992 1.392 1.00 0.00 H new ATOM 0 HH22 ARG A 35 80.232 3.567 0.744 1.00 0.00 H new ATOM 606 N ASN A 36 79.426 8.973 -2.988 1.00 0.00 N ATOM 607 CA ASN A 36 79.045 8.527 -4.353 1.00 0.00 C ATOM 608 C ASN A 36 80.169 8.843 -5.341 1.00 0.00 C ATOM 609 O ASN A 36 80.326 8.192 -6.355 1.00 0.00 O ATOM 610 CB ASN A 36 77.814 9.360 -4.703 1.00 0.00 C ATOM 611 CG ASN A 36 76.651 9.026 -3.772 1.00 0.00 C ATOM 612 OD1 ASN A 36 75.830 9.876 -3.490 1.00 0.00 O ATOM 613 ND2 ASN A 36 76.529 7.820 -3.299 1.00 0.00 N ATOM 0 H ASN A 36 78.682 9.426 -2.457 1.00 0.00 H new ATOM 0 HA ASN A 36 78.856 7.454 -4.397 1.00 0.00 H new ATOM 0 HB2 ASN A 36 78.053 10.421 -4.627 1.00 0.00 H new ATOM 0 HB3 ASN A 36 77.524 9.172 -5.737 1.00 0.00 H new ATOM 0 HD21 ASN A 36 75.744 7.588 -2.691 1.00 0.00 H new ATOM 0 HD22 ASN A 36 77.219 7.107 -3.536 1.00 0.00 H new ATOM 620 N GLN A 37 80.937 9.857 -5.057 1.00 0.00 N ATOM 621 CA GLN A 37 82.040 10.247 -5.980 1.00 0.00 C ATOM 622 C GLN A 37 83.255 9.339 -5.779 1.00 0.00 C ATOM 623 O GLN A 37 84.310 9.561 -6.340 1.00 0.00 O ATOM 624 CB GLN A 37 82.383 11.697 -5.607 1.00 0.00 C ATOM 625 CG GLN A 37 81.111 12.469 -5.219 1.00 0.00 C ATOM 626 CD GLN A 37 81.044 13.771 -6.019 1.00 0.00 C ATOM 627 OE1 GLN A 37 80.351 13.850 -7.015 1.00 0.00 O ATOM 628 NE2 GLN A 37 81.741 14.802 -5.626 1.00 0.00 N ATOM 0 H GLN A 37 80.848 10.435 -4.222 1.00 0.00 H new ATOM 0 HA GLN A 37 81.748 10.153 -7.026 1.00 0.00 H new ATOM 0 HB2 GLN A 37 83.089 11.708 -4.777 1.00 0.00 H new ATOM 0 HB3 GLN A 37 82.872 12.189 -6.448 1.00 0.00 H new ATOM 0 HG2 GLN A 37 80.228 11.861 -5.418 1.00 0.00 H new ATOM 0 HG3 GLN A 37 81.115 12.685 -4.151 1.00 0.00 H new ATOM 0 HE21 GLN A 37 82.322 14.736 -4.791 1.00 0.00 H new ATOM 0 HE22 GLN A 37 81.704 15.674 -6.154 1.00 0.00 H new ATOM 637 N GLY A 38 83.112 8.315 -4.988 1.00 0.00 N ATOM 638 CA GLY A 38 84.251 7.387 -4.751 1.00 0.00 C ATOM 639 C GLY A 38 83.714 5.965 -4.591 1.00 0.00 C ATOM 640 O GLY A 38 84.381 5.093 -4.070 1.00 0.00 O ATOM 0 H GLY A 38 82.252 8.079 -4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 38 84.952 7.432 -5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 38 84.799 7.685 -3.857 1.00 0.00 H new ATOM 644 N ASP A 39 82.508 5.724 -5.034 1.00 0.00 N ATOM 645 CA ASP A 39 81.930 4.354 -4.901 1.00 0.00 C ATOM 646 C ASP A 39 80.468 4.338 -5.359 1.00 0.00 C ATOM 647 O ASP A 39 79.573 4.707 -4.624 1.00 0.00 O ATOM 648 CB ASP A 39 82.026 4.028 -3.412 1.00 0.00 C ATOM 649 CG ASP A 39 83.029 2.893 -3.200 1.00 0.00 C ATOM 650 OD1 ASP A 39 83.343 2.218 -4.166 1.00 0.00 O ATOM 651 OD2 ASP A 39 83.465 2.718 -2.074 1.00 0.00 O ATOM 0 H ASP A 39 81.901 6.412 -5.480 1.00 0.00 H new ATOM 0 HA ASP A 39 82.459 3.626 -5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 39 82.338 4.912 -2.855 1.00 0.00 H new ATOM 0 HB3 ASP A 39 81.047 3.739 -3.029 1.00 0.00 H new ATOM 656 N LYS A 40 80.220 3.899 -6.563 1.00 0.00 N ATOM 657 CA LYS A 40 78.820 3.841 -7.063 1.00 0.00 C ATOM 658 C LYS A 40 78.209 2.501 -6.688 1.00 0.00 C ATOM 659 O LYS A 40 77.011 2.336 -6.632 1.00 0.00 O ATOM 660 CB LYS A 40 78.916 4.004 -8.580 1.00 0.00 C ATOM 661 CG LYS A 40 78.203 5.290 -9.001 1.00 0.00 C ATOM 662 CD LYS A 40 78.934 5.913 -10.192 1.00 0.00 C ATOM 663 CE LYS A 40 77.919 6.307 -11.268 1.00 0.00 C ATOM 664 NZ LYS A 40 78.235 5.434 -12.432 1.00 0.00 N ATOM 0 H LYS A 40 80.929 3.578 -7.222 1.00 0.00 H new ATOM 0 HA LYS A 40 78.186 4.616 -6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.961 4.038 -8.887 1.00 0.00 H new ATOM 0 HB3 LYS A 40 78.465 3.146 -9.078 1.00 0.00 H new ATOM 0 HG2 LYS A 40 77.169 5.074 -9.268 1.00 0.00 H new ATOM 0 HG3 LYS A 40 78.177 5.993 -8.169 1.00 0.00 H new ATOM 0 HD2 LYS A 40 79.496 6.790 -9.869 1.00 0.00 H new ATOM 0 HD3 LYS A 40 79.655 5.205 -10.600 1.00 0.00 H new ATOM 0 HE2 LYS A 40 76.897 6.151 -10.923 1.00 0.00 H new ATOM 0 HE3 LYS A 40 78.009 7.361 -11.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 77.580 5.645 -13.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 79.212 5.610 -12.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 78.134 4.437 -12.155 1.00 0.00 H new ATOM 678 N GLU A 41 79.041 1.553 -6.405 1.00 0.00 N ATOM 679 CA GLU A 41 78.552 0.216 -5.988 1.00 0.00 C ATOM 680 C GLU A 41 77.421 0.386 -4.974 1.00 0.00 C ATOM 681 O GLU A 41 76.554 -0.455 -4.839 1.00 0.00 O ATOM 682 CB GLU A 41 79.761 -0.405 -5.303 1.00 0.00 C ATOM 683 CG GLU A 41 80.327 0.622 -4.315 1.00 0.00 C ATOM 684 CD GLU A 41 81.317 -0.059 -3.368 1.00 0.00 C ATOM 685 OE1 GLU A 41 82.395 -0.410 -3.821 1.00 0.00 O ATOM 686 OE2 GLU A 41 80.982 -0.217 -2.207 1.00 0.00 O ATOM 0 H GLU A 41 80.056 1.645 -6.444 1.00 0.00 H new ATOM 0 HA GLU A 41 78.171 -0.384 -6.814 1.00 0.00 H new ATOM 0 HB2 GLU A 41 79.476 -1.318 -4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 41 80.516 -0.681 -6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 41 80.824 1.426 -4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 41 79.517 1.075 -3.744 1.00 0.00 H new ATOM 693 N ALA A 42 77.437 1.474 -4.250 1.00 0.00 N ATOM 694 CA ALA A 42 76.376 1.711 -3.226 1.00 0.00 C ATOM 695 C ALA A 42 75.170 2.388 -3.872 1.00 0.00 C ATOM 696 O ALA A 42 74.093 2.434 -3.314 1.00 0.00 O ATOM 697 CB ALA A 42 77.017 2.632 -2.189 1.00 0.00 C ATOM 0 H ALA A 42 78.140 2.210 -4.323 1.00 0.00 H new ATOM 0 HA ALA A 42 76.021 0.784 -2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 42 76.296 2.852 -1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 42 77.889 2.141 -1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 42 77.325 3.561 -2.668 1.00 0.00 H new ATOM 703 N GLU A 43 75.349 2.912 -5.046 1.00 0.00 N ATOM 704 CA GLU A 43 74.215 3.588 -5.740 1.00 0.00 C ATOM 705 C GLU A 43 72.954 2.755 -5.643 1.00 0.00 C ATOM 706 O GLU A 43 71.942 3.177 -5.123 1.00 0.00 O ATOM 707 CB GLU A 43 74.604 3.648 -7.210 1.00 0.00 C ATOM 708 CG GLU A 43 73.526 4.413 -7.981 1.00 0.00 C ATOM 709 CD GLU A 43 74.138 5.661 -8.621 1.00 0.00 C ATOM 710 OE1 GLU A 43 74.930 6.314 -7.962 1.00 0.00 O ATOM 711 OE2 GLU A 43 73.803 5.942 -9.759 1.00 0.00 O ATOM 0 H GLU A 43 76.230 2.904 -5.559 1.00 0.00 H new ATOM 0 HA GLU A 43 74.029 4.566 -5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 43 75.569 4.141 -7.324 1.00 0.00 H new ATOM 0 HB3 GLU A 43 74.711 2.641 -7.612 1.00 0.00 H new ATOM 0 HG2 GLU A 43 73.092 3.774 -8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 43 72.717 4.697 -7.309 1.00 0.00 H new ATOM 718 N ALA A 44 73.007 1.582 -6.192 1.00 0.00 N ATOM 719 CA ALA A 44 71.815 0.718 -6.199 1.00 0.00 C ATOM 720 C ALA A 44 71.128 0.750 -4.841 1.00 0.00 C ATOM 721 O ALA A 44 69.933 0.944 -4.747 1.00 0.00 O ATOM 722 CB ALA A 44 72.325 -0.685 -6.526 1.00 0.00 C ATOM 0 H ALA A 44 73.834 1.185 -6.639 1.00 0.00 H new ATOM 0 HA ALA A 44 71.076 1.049 -6.928 1.00 0.00 H new ATOM 0 HB1 ALA A 44 71.487 -1.381 -6.547 1.00 0.00 H new ATOM 0 HB2 ALA A 44 72.814 -0.676 -7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 44 73.038 -1.000 -5.764 1.00 0.00 H new ATOM 728 N LYS A 45 71.868 0.569 -3.785 1.00 0.00 N ATOM 729 CA LYS A 45 71.228 0.606 -2.445 1.00 0.00 C ATOM 730 C LYS A 45 70.301 1.817 -2.374 1.00 0.00 C ATOM 731 O LYS A 45 69.334 1.831 -1.642 1.00 0.00 O ATOM 732 CB LYS A 45 72.370 0.741 -1.439 1.00 0.00 C ATOM 733 CG LYS A 45 71.781 1.034 -0.057 1.00 0.00 C ATOM 734 CD LYS A 45 72.795 0.661 1.025 1.00 0.00 C ATOM 735 CE LYS A 45 73.993 1.609 0.952 1.00 0.00 C ATOM 736 NZ LYS A 45 75.129 0.760 0.499 1.00 0.00 N ATOM 0 H LYS A 45 72.874 0.399 -3.791 1.00 0.00 H new ATOM 0 HA LYS A 45 70.634 -0.285 -2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 45 72.958 -0.176 -1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 45 73.044 1.543 -1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 45 71.522 2.090 0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 45 70.860 0.468 0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 45 72.331 0.720 2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 45 73.124 -0.369 0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 45 73.808 2.426 0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 45 74.200 2.060 1.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 75.988 1.341 0.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 75.286 -0.005 1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 74.907 0.350 -0.431 1.00 0.00 H new ATOM 750 N PHE A 46 70.587 2.833 -3.144 1.00 0.00 N ATOM 751 CA PHE A 46 69.721 4.047 -3.132 1.00 0.00 C ATOM 752 C PHE A 46 68.355 3.725 -3.737 1.00 0.00 C ATOM 753 O PHE A 46 67.330 4.018 -3.156 1.00 0.00 O ATOM 754 CB PHE A 46 70.460 5.080 -3.982 1.00 0.00 C ATOM 755 CG PHE A 46 71.847 5.310 -3.419 1.00 0.00 C ATOM 756 CD1 PHE A 46 72.218 4.749 -2.187 1.00 0.00 C ATOM 757 CD2 PHE A 46 72.763 6.089 -4.133 1.00 0.00 C ATOM 758 CE1 PHE A 46 73.500 4.967 -1.675 1.00 0.00 C ATOM 759 CE2 PHE A 46 74.047 6.307 -3.620 1.00 0.00 C ATOM 760 CZ PHE A 46 74.415 5.746 -2.391 1.00 0.00 C ATOM 0 H PHE A 46 71.383 2.874 -3.781 1.00 0.00 H new ATOM 0 HA PHE A 46 69.542 4.414 -2.122 1.00 0.00 H new ATOM 0 HB2 PHE A 46 70.529 4.734 -5.013 1.00 0.00 H new ATOM 0 HB3 PHE A 46 69.904 6.017 -3.997 1.00 0.00 H new ATOM 0 HD1 PHE A 46 71.512 4.148 -1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 46 72.480 6.523 -5.081 1.00 0.00 H new ATOM 0 HE1 PHE A 46 73.784 4.534 -0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 46 74.754 6.908 -4.172 1.00 0.00 H new ATOM 0 HZ PHE A 46 75.406 5.915 -1.996 1.00 0.00 H new ATOM 770 N LYS A 47 68.318 3.112 -4.892 1.00 0.00 N ATOM 771 CA LYS A 47 66.994 2.776 -5.484 1.00 0.00 C ATOM 772 C LYS A 47 66.527 1.435 -4.917 1.00 0.00 C ATOM 773 O LYS A 47 65.347 1.159 -4.833 1.00 0.00 O ATOM 774 CB LYS A 47 67.214 2.733 -7.010 1.00 0.00 C ATOM 775 CG LYS A 47 67.418 1.294 -7.500 1.00 0.00 C ATOM 776 CD LYS A 47 68.782 0.786 -7.034 1.00 0.00 C ATOM 777 CE LYS A 47 69.455 0.028 -8.182 1.00 0.00 C ATOM 778 NZ LYS A 47 68.509 -1.071 -8.522 1.00 0.00 N ATOM 0 H LYS A 47 69.132 2.835 -5.440 1.00 0.00 H new ATOM 0 HA LYS A 47 66.217 3.503 -5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 47 66.356 3.174 -7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 47 68.083 3.336 -7.272 1.00 0.00 H new ATOM 0 HG2 LYS A 47 66.627 0.651 -7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 47 67.356 1.257 -8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 47 69.406 1.622 -6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 47 68.664 0.132 -6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 47 69.627 0.680 -9.038 1.00 0.00 H new ATOM 0 HE3 LYS A 47 70.426 -0.365 -7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 69.043 -1.894 -8.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 67.970 -1.340 -7.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 67.853 -0.748 -9.261 1.00 0.00 H new ATOM 792 N GLU A 48 67.449 0.621 -4.481 1.00 0.00 N ATOM 793 CA GLU A 48 67.058 -0.674 -3.868 1.00 0.00 C ATOM 794 C GLU A 48 66.092 -0.344 -2.754 1.00 0.00 C ATOM 795 O GLU A 48 65.144 -1.051 -2.473 1.00 0.00 O ATOM 796 CB GLU A 48 68.349 -1.241 -3.282 1.00 0.00 C ATOM 797 CG GLU A 48 69.129 -1.992 -4.356 1.00 0.00 C ATOM 798 CD GLU A 48 68.514 -3.376 -4.562 1.00 0.00 C ATOM 799 OE1 GLU A 48 67.342 -3.439 -4.897 1.00 0.00 O ATOM 800 OE2 GLU A 48 69.224 -4.351 -4.382 1.00 0.00 O ATOM 0 H GLU A 48 68.453 0.798 -4.524 1.00 0.00 H new ATOM 0 HA GLU A 48 66.598 -1.378 -4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 48 68.959 -0.433 -2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 48 68.118 -1.911 -2.454 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.111 -1.432 -5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.174 -2.087 -4.061 1.00 0.00 H new ATOM 807 N ILE A 49 66.349 0.767 -2.140 1.00 0.00 N ATOM 808 CA ILE A 49 65.487 1.251 -1.036 1.00 0.00 C ATOM 809 C ILE A 49 64.252 1.909 -1.627 1.00 0.00 C ATOM 810 O ILE A 49 63.128 1.588 -1.294 1.00 0.00 O ATOM 811 CB ILE A 49 66.336 2.299 -0.330 1.00 0.00 C ATOM 812 CG1 ILE A 49 67.411 1.601 0.497 1.00 0.00 C ATOM 813 CG2 ILE A 49 65.450 3.152 0.575 1.00 0.00 C ATOM 814 CD1 ILE A 49 68.611 2.535 0.691 1.00 0.00 C ATOM 0 H ILE A 49 67.138 1.375 -2.361 1.00 0.00 H new ATOM 0 HA ILE A 49 65.161 0.456 -0.366 1.00 0.00 H new ATOM 0 HB ILE A 49 66.812 2.945 -1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 49 67.005 1.311 1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 49 67.729 0.686 -0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 49 66.060 3.902 1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 49 64.688 3.649 -0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 49 64.969 2.516 1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 49 69.374 2.029 1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 49 69.024 2.803 -0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 49 68.289 3.438 1.210 1.00 0.00 H new ATOM 826 N LYS A 50 64.470 2.837 -2.510 1.00 0.00 N ATOM 827 CA LYS A 50 63.325 3.542 -3.151 1.00 0.00 C ATOM 828 C LYS A 50 62.363 2.512 -3.747 1.00 0.00 C ATOM 829 O LYS A 50 61.167 2.573 -3.541 1.00 0.00 O ATOM 830 CB LYS A 50 63.947 4.405 -4.251 1.00 0.00 C ATOM 831 CG LYS A 50 62.848 5.207 -4.951 1.00 0.00 C ATOM 832 CD LYS A 50 63.142 6.703 -4.817 1.00 0.00 C ATOM 833 CE LYS A 50 64.296 7.084 -5.747 1.00 0.00 C ATOM 834 NZ LYS A 50 64.202 8.563 -5.889 1.00 0.00 N ATOM 0 H LYS A 50 65.394 3.141 -2.818 1.00 0.00 H new ATOM 0 HA LYS A 50 62.756 4.148 -2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 50 64.688 5.080 -3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 50 64.468 3.775 -4.972 1.00 0.00 H new ATOM 0 HG2 LYS A 50 62.795 4.929 -6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 50 61.878 4.976 -4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 50 62.253 7.282 -5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 50 63.399 6.943 -3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 50 65.257 6.788 -5.326 1.00 0.00 H new ATOM 0 HE3 LYS A 50 64.205 6.588 -6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 64.962 8.901 -6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 63.280 8.815 -6.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 64.299 9.008 -4.954 1.00 0.00 H new ATOM 848 N GLU A 51 62.880 1.559 -4.476 1.00 0.00 N ATOM 849 CA GLU A 51 61.999 0.515 -5.073 1.00 0.00 C ATOM 850 C GLU A 51 61.062 -0.038 -3.999 1.00 0.00 C ATOM 851 O GLU A 51 59.936 -0.407 -4.269 1.00 0.00 O ATOM 852 CB GLU A 51 62.953 -0.572 -5.568 1.00 0.00 C ATOM 853 CG GLU A 51 62.149 -1.798 -6.005 1.00 0.00 C ATOM 854 CD GLU A 51 61.618 -1.581 -7.422 1.00 0.00 C ATOM 855 OE1 GLU A 51 62.038 -0.625 -8.052 1.00 0.00 O ATOM 856 OE2 GLU A 51 60.798 -2.375 -7.853 1.00 0.00 O ATOM 0 H GLU A 51 63.874 1.459 -4.683 1.00 0.00 H new ATOM 0 HA GLU A 51 61.376 0.901 -5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 51 63.547 -0.197 -6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.651 -0.845 -4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 51 62.777 -2.688 -5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 51 61.321 -1.967 -5.317 1.00 0.00 H new ATOM 863 N ALA A 52 61.517 -0.078 -2.778 1.00 0.00 N ATOM 864 CA ALA A 52 60.657 -0.587 -1.672 1.00 0.00 C ATOM 865 C ALA A 52 59.235 -0.042 -1.820 1.00 0.00 C ATOM 866 O ALA A 52 58.284 -0.631 -1.348 1.00 0.00 O ATOM 867 CB ALA A 52 61.319 -0.062 -0.401 1.00 0.00 C ATOM 0 H ALA A 52 62.451 0.221 -2.497 1.00 0.00 H new ATOM 0 HA ALA A 52 60.572 -1.674 -1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 52 60.749 -0.391 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 52 62.336 -0.447 -0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 52 61.345 1.027 -0.427 1.00 0.00 H new ATOM 873 N TYR A 53 59.079 1.077 -2.477 1.00 0.00 N ATOM 874 CA TYR A 53 57.715 1.645 -2.655 1.00 0.00 C ATOM 875 C TYR A 53 56.857 0.708 -3.504 1.00 0.00 C ATOM 876 O TYR A 53 55.766 0.333 -3.127 1.00 0.00 O ATOM 877 CB TYR A 53 57.911 2.961 -3.405 1.00 0.00 C ATOM 878 CG TYR A 53 58.826 3.868 -2.632 1.00 0.00 C ATOM 879 CD1 TYR A 53 58.906 3.762 -1.243 1.00 0.00 C ATOM 880 CD2 TYR A 53 59.590 4.823 -3.310 1.00 0.00 C ATOM 881 CE1 TYR A 53 59.752 4.613 -0.529 1.00 0.00 C ATOM 882 CE2 TYR A 53 60.437 5.673 -2.597 1.00 0.00 C ATOM 883 CZ TYR A 53 60.519 5.569 -1.204 1.00 0.00 C ATOM 884 OH TYR A 53 61.356 6.408 -0.497 1.00 0.00 O ATOM 0 H TYR A 53 59.835 1.619 -2.896 1.00 0.00 H new ATOM 0 HA TYR A 53 57.215 1.783 -1.696 1.00 0.00 H new ATOM 0 HB2 TYR A 53 58.329 2.766 -4.392 1.00 0.00 H new ATOM 0 HB3 TYR A 53 56.948 3.448 -3.557 1.00 0.00 H new ATOM 0 HD1 TYR A 53 58.315 3.024 -0.721 1.00 0.00 H new ATOM 0 HD2 TYR A 53 59.525 4.903 -4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 53 59.814 4.533 0.546 1.00 0.00 H new ATOM 0 HE2 TYR A 53 61.028 6.410 -3.120 1.00 0.00 H new ATOM 0 HH TYR A 53 60.985 6.564 0.396 1.00 0.00 H new ATOM 894 N GLU A 54 57.354 0.319 -4.644 1.00 0.00 N ATOM 895 CA GLU A 54 56.567 -0.600 -5.522 1.00 0.00 C ATOM 896 C GLU A 54 55.998 -1.703 -4.660 1.00 0.00 C ATOM 897 O GLU A 54 54.983 -2.298 -4.961 1.00 0.00 O ATOM 898 CB GLU A 54 57.556 -1.191 -6.533 1.00 0.00 C ATOM 899 CG GLU A 54 58.509 -0.110 -7.025 1.00 0.00 C ATOM 900 CD GLU A 54 58.680 -0.225 -8.540 1.00 0.00 C ATOM 901 OE1 GLU A 54 57.725 0.047 -9.247 1.00 0.00 O ATOM 902 OE2 GLU A 54 59.765 -0.584 -8.968 1.00 0.00 O ATOM 0 H GLU A 54 58.266 0.594 -5.008 1.00 0.00 H new ATOM 0 HA GLU A 54 55.752 -0.087 -6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 54 58.120 -2.001 -6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 54 57.014 -1.620 -7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 54 58.121 0.875 -6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 54 59.476 -0.211 -6.531 1.00 0.00 H new ATOM 909 N VAL A 55 56.668 -1.980 -3.588 1.00 0.00 N ATOM 910 CA VAL A 55 56.206 -3.042 -2.687 1.00 0.00 C ATOM 911 C VAL A 55 55.276 -2.465 -1.601 1.00 0.00 C ATOM 912 O VAL A 55 54.204 -2.964 -1.354 1.00 0.00 O ATOM 913 CB VAL A 55 57.507 -3.605 -2.091 1.00 0.00 C ATOM 914 CG1 VAL A 55 57.526 -3.433 -0.576 1.00 0.00 C ATOM 915 CG2 VAL A 55 57.616 -5.088 -2.422 1.00 0.00 C ATOM 0 H VAL A 55 57.525 -1.508 -3.299 1.00 0.00 H new ATOM 0 HA VAL A 55 55.620 -3.811 -3.189 1.00 0.00 H new ATOM 0 HB VAL A 55 58.348 -3.059 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 55 58.455 -3.838 -0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 55 57.456 -2.374 -0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 55 56.680 -3.964 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 55 58.538 -5.488 -2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 55 56.763 -5.619 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 55 57.625 -5.220 -3.504 1.00 0.00 H new ATOM 925 N LEU A 56 55.706 -1.453 -0.902 1.00 0.00 N ATOM 926 CA LEU A 56 54.844 -0.911 0.191 1.00 0.00 C ATOM 927 C LEU A 56 53.907 0.229 -0.285 1.00 0.00 C ATOM 928 O LEU A 56 52.914 0.514 0.353 1.00 0.00 O ATOM 929 CB LEU A 56 55.848 -0.486 1.282 1.00 0.00 C ATOM 930 CG LEU A 56 55.746 0.996 1.643 1.00 0.00 C ATOM 931 CD1 LEU A 56 55.985 1.849 0.405 1.00 0.00 C ATOM 932 CD2 LEU A 56 54.368 1.303 2.236 1.00 0.00 C ATOM 0 H LEU A 56 56.601 -0.982 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 56 54.135 -1.648 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 56 55.679 -1.085 2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 56 56.860 -0.702 0.941 1.00 0.00 H new ATOM 0 HG LEU A 56 56.507 1.231 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 56 55.911 2.904 0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 56 56.979 1.644 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 56 55.236 1.611 -0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 56 54.308 2.362 2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 56 53.596 1.060 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 56 54.218 0.706 3.136 1.00 0.00 H new ATOM 944 N THR A 57 54.190 0.891 -1.382 1.00 0.00 N ATOM 945 CA THR A 57 53.270 1.999 -1.810 1.00 0.00 C ATOM 946 C THR A 57 52.130 1.446 -2.667 1.00 0.00 C ATOM 947 O THR A 57 51.659 2.091 -3.582 1.00 0.00 O ATOM 948 CB THR A 57 54.111 2.991 -2.632 1.00 0.00 C ATOM 949 OG1 THR A 57 54.788 2.305 -3.671 1.00 0.00 O ATOM 950 CG2 THR A 57 55.128 3.707 -1.738 1.00 0.00 C ATOM 0 H THR A 57 54.994 0.721 -1.986 1.00 0.00 H new ATOM 0 HA THR A 57 52.826 2.486 -0.942 1.00 0.00 H new ATOM 0 HB THR A 57 53.442 3.735 -3.065 1.00 0.00 H new ATOM 0 HG1 THR A 57 54.628 1.342 -3.586 1.00 0.00 H new ATOM 0 HG21 THR A 57 55.713 4.404 -2.338 1.00 0.00 H new ATOM 0 HG22 THR A 57 54.603 4.254 -0.955 1.00 0.00 H new ATOM 0 HG23 THR A 57 55.793 2.973 -1.283 1.00 0.00 H new ATOM 958 N ASP A 58 51.673 0.264 -2.364 1.00 0.00 N ATOM 959 CA ASP A 58 50.550 -0.326 -3.143 1.00 0.00 C ATOM 960 C ASP A 58 49.750 -1.256 -2.256 1.00 0.00 C ATOM 961 O ASP A 58 50.250 -2.228 -1.727 1.00 0.00 O ATOM 962 CB ASP A 58 51.202 -1.079 -4.299 1.00 0.00 C ATOM 963 CG ASP A 58 50.566 -0.641 -5.620 1.00 0.00 C ATOM 964 OD1 ASP A 58 49.465 -1.085 -5.900 1.00 0.00 O ATOM 965 OD2 ASP A 58 51.191 0.132 -6.328 1.00 0.00 O ATOM 0 H ASP A 58 52.030 -0.321 -1.608 1.00 0.00 H new ATOM 0 HA ASP A 58 49.857 0.428 -3.516 1.00 0.00 H new ATOM 0 HB2 ASP A 58 52.274 -0.881 -4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 58 51.078 -2.153 -4.163 1.00 0.00 H new ATOM 970 N SER A 59 48.507 -0.935 -2.071 1.00 0.00 N ATOM 971 CA SER A 59 47.650 -1.755 -1.192 1.00 0.00 C ATOM 972 C SER A 59 47.921 -3.253 -1.381 1.00 0.00 C ATOM 973 O SER A 59 47.988 -4.003 -0.427 1.00 0.00 O ATOM 974 CB SER A 59 46.216 -1.406 -1.588 1.00 0.00 C ATOM 975 OG SER A 59 45.586 -0.721 -0.513 1.00 0.00 O ATOM 0 H SER A 59 48.046 -0.131 -2.497 1.00 0.00 H new ATOM 0 HA SER A 59 47.845 -1.548 -0.140 1.00 0.00 H new ATOM 0 HB2 SER A 59 46.215 -0.783 -2.482 1.00 0.00 H new ATOM 0 HB3 SER A 59 45.662 -2.313 -1.831 1.00 0.00 H new ATOM 0 HG SER A 59 44.666 -0.494 -0.764 1.00 0.00 H new ATOM 981 N GLN A 60 48.068 -3.697 -2.598 1.00 0.00 N ATOM 982 CA GLN A 60 48.324 -5.148 -2.837 1.00 0.00 C ATOM 983 C GLN A 60 49.774 -5.502 -2.490 1.00 0.00 C ATOM 984 O GLN A 60 50.064 -6.583 -2.016 1.00 0.00 O ATOM 985 CB GLN A 60 48.064 -5.347 -4.331 1.00 0.00 C ATOM 986 CG GLN A 60 48.220 -6.825 -4.692 1.00 0.00 C ATOM 987 CD GLN A 60 47.331 -7.151 -5.894 1.00 0.00 C ATOM 988 OE1 GLN A 60 46.246 -7.673 -5.739 1.00 0.00 O ATOM 989 NE2 GLN A 60 47.749 -6.862 -7.096 1.00 0.00 N ATOM 0 H GLN A 60 48.022 -3.120 -3.438 1.00 0.00 H new ATOM 0 HA GLN A 60 47.692 -5.787 -2.220 1.00 0.00 H new ATOM 0 HB2 GLN A 60 47.060 -5.006 -4.583 1.00 0.00 H new ATOM 0 HB3 GLN A 60 48.761 -4.745 -4.914 1.00 0.00 H new ATOM 0 HG2 GLN A 60 49.262 -7.046 -4.926 1.00 0.00 H new ATOM 0 HG3 GLN A 60 47.945 -7.449 -3.842 1.00 0.00 H new ATOM 0 HE21 GLN A 60 48.660 -6.423 -7.227 1.00 0.00 H new ATOM 0 HE22 GLN A 60 47.164 -7.075 -7.904 1.00 0.00 H new ATOM 998 N LYS A 61 50.685 -4.602 -2.732 1.00 0.00 N ATOM 999 CA LYS A 61 52.118 -4.882 -2.427 1.00 0.00 C ATOM 1000 C LYS A 61 52.404 -4.752 -0.934 1.00 0.00 C ATOM 1001 O LYS A 61 53.015 -5.615 -0.337 1.00 0.00 O ATOM 1002 CB LYS A 61 52.892 -3.836 -3.221 1.00 0.00 C ATOM 1003 CG LYS A 61 52.480 -3.882 -4.686 1.00 0.00 C ATOM 1004 CD LYS A 61 52.976 -5.185 -5.316 1.00 0.00 C ATOM 1005 CE LYS A 61 53.463 -4.911 -6.738 1.00 0.00 C ATOM 1006 NZ LYS A 61 52.564 -5.714 -7.614 1.00 0.00 N ATOM 0 H LYS A 61 50.500 -3.681 -3.129 1.00 0.00 H new ATOM 0 HA LYS A 61 52.400 -5.900 -2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 61 52.702 -2.844 -2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 61 53.963 -4.018 -3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 61 51.396 -3.814 -4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 61 52.896 -3.027 -5.219 1.00 0.00 H new ATOM 0 HD2 LYS A 61 53.785 -5.606 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 61 52.174 -5.923 -5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 61 53.403 -3.849 -6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 61 54.504 -5.208 -6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 52.836 -5.578 -8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 52.647 -6.721 -7.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 51.580 -5.405 -7.479 1.00 0.00 H new ATOM 1020 N ARG A 62 51.981 -3.689 -0.319 1.00 0.00 N ATOM 1021 CA ARG A 62 52.254 -3.535 1.135 1.00 0.00 C ATOM 1022 C ARG A 62 51.419 -4.525 1.939 1.00 0.00 C ATOM 1023 O ARG A 62 51.756 -4.880 3.051 1.00 0.00 O ATOM 1024 CB ARG A 62 51.848 -2.103 1.467 1.00 0.00 C ATOM 1025 CG ARG A 62 50.328 -1.964 1.341 1.00 0.00 C ATOM 1026 CD ARG A 62 49.855 -0.760 2.157 1.00 0.00 C ATOM 1027 NE ARG A 62 48.867 -1.317 3.122 1.00 0.00 N ATOM 1028 CZ ARG A 62 49.256 -1.699 4.308 1.00 0.00 C ATOM 1029 NH1 ARG A 62 49.737 -0.828 5.149 1.00 0.00 N ATOM 1030 NH2 ARG A 62 49.160 -2.954 4.652 1.00 0.00 N ATOM 0 H ARG A 62 51.463 -2.925 -0.753 1.00 0.00 H new ATOM 0 HA ARG A 62 53.298 -3.730 1.378 1.00 0.00 H new ATOM 0 HB2 ARG A 62 52.165 -1.848 2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 62 52.345 -1.406 0.792 1.00 0.00 H new ATOM 0 HG2 ARG A 62 50.049 -1.839 0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 62 49.839 -2.871 1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 62 50.687 -0.282 2.674 1.00 0.00 H new ATOM 0 HD3 ARG A 62 49.400 -0.003 1.518 1.00 0.00 H new ATOM 0 HE ARG A 62 47.886 -1.400 2.856 1.00 0.00 H new ATOM 0 HH11 ARG A 62 49.810 0.153 4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 62 50.041 -1.128 6.076 1.00 0.00 H new ATOM 0 HH21 ARG A 62 48.781 -3.636 3.994 1.00 0.00 H new ATOM 0 HH22 ARG A 62 49.464 -3.254 5.579 1.00 0.00 H new ATOM 1044 N ALA A 63 50.337 -4.976 1.383 1.00 0.00 N ATOM 1045 CA ALA A 63 49.483 -5.951 2.112 1.00 0.00 C ATOM 1046 C ALA A 63 49.971 -7.358 1.805 1.00 0.00 C ATOM 1047 O ALA A 63 49.761 -8.287 2.558 1.00 0.00 O ATOM 1048 CB ALA A 63 48.072 -5.734 1.567 1.00 0.00 C ATOM 0 H ALA A 63 50.004 -4.713 0.455 1.00 0.00 H new ATOM 0 HA ALA A 63 49.512 -5.819 3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 63 47.382 -6.420 2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 63 47.761 -4.707 1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 63 48.064 -5.920 0.493 1.00 0.00 H new ATOM 1054 N ALA A 64 50.624 -7.509 0.691 1.00 0.00 N ATOM 1055 CA ALA A 64 51.148 -8.844 0.299 1.00 0.00 C ATOM 1056 C ALA A 64 52.565 -9.033 0.835 1.00 0.00 C ATOM 1057 O ALA A 64 52.881 -10.025 1.460 1.00 0.00 O ATOM 1058 CB ALA A 64 51.145 -8.823 -1.227 1.00 0.00 C ATOM 0 H ALA A 64 50.819 -6.758 0.029 1.00 0.00 H new ATOM 0 HA ALA A 64 50.551 -9.663 0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 64 51.519 -9.775 -1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 64 50.128 -8.664 -1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 64 51.786 -8.015 -1.581 1.00 0.00 H new ATOM 1064 N TYR A 65 53.421 -8.084 0.578 1.00 0.00 N ATOM 1065 CA TYR A 65 54.827 -8.196 1.053 1.00 0.00 C ATOM 1066 C TYR A 65 54.878 -8.151 2.584 1.00 0.00 C ATOM 1067 O TYR A 65 55.783 -8.680 3.195 1.00 0.00 O ATOM 1068 CB TYR A 65 55.538 -6.992 0.440 1.00 0.00 C ATOM 1069 CG TYR A 65 55.902 -7.305 -0.992 1.00 0.00 C ATOM 1070 CD1 TYR A 65 54.943 -7.173 -2.005 1.00 0.00 C ATOM 1071 CD2 TYR A 65 57.195 -7.728 -1.305 1.00 0.00 C ATOM 1072 CE1 TYR A 65 55.283 -7.467 -3.332 1.00 0.00 C ATOM 1073 CE2 TYR A 65 57.537 -8.021 -2.631 1.00 0.00 C ATOM 1074 CZ TYR A 65 56.580 -7.890 -3.645 1.00 0.00 C ATOM 1075 OH TYR A 65 56.916 -8.179 -4.952 1.00 0.00 O ATOM 0 H TYR A 65 53.206 -7.233 0.058 1.00 0.00 H new ATOM 0 HA TYR A 65 55.296 -9.135 0.760 1.00 0.00 H new ATOM 0 HB2 TYR A 65 54.893 -6.115 0.480 1.00 0.00 H new ATOM 0 HB3 TYR A 65 56.435 -6.754 1.012 1.00 0.00 H new ATOM 0 HD1 TYR A 65 53.943 -6.845 -1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 65 57.933 -7.829 -0.523 1.00 0.00 H new ATOM 0 HE1 TYR A 65 54.544 -7.367 -4.113 1.00 0.00 H new ATOM 0 HE2 TYR A 65 58.538 -8.348 -2.871 1.00 0.00 H new ATOM 0 HH TYR A 65 57.855 -8.457 -4.995 1.00 0.00 H new ATOM 1085 N ASP A 66 53.910 -7.537 3.208 1.00 0.00 N ATOM 1086 CA ASP A 66 53.912 -7.483 4.698 1.00 0.00 C ATOM 1087 C ASP A 66 54.119 -8.891 5.258 1.00 0.00 C ATOM 1088 O ASP A 66 54.719 -9.077 6.298 1.00 0.00 O ATOM 1089 CB ASP A 66 52.531 -6.948 5.084 1.00 0.00 C ATOM 1090 CG ASP A 66 51.448 -7.821 4.448 1.00 0.00 C ATOM 1091 OD1 ASP A 66 51.790 -8.644 3.616 1.00 0.00 O ATOM 1092 OD2 ASP A 66 50.294 -7.652 4.805 1.00 0.00 O ATOM 0 H ASP A 66 53.123 -7.073 2.755 1.00 0.00 H new ATOM 0 HA ASP A 66 54.709 -6.853 5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 66 52.421 -6.946 6.168 1.00 0.00 H new ATOM 0 HB3 ASP A 66 52.423 -5.916 4.750 1.00 0.00 H new ATOM 1097 N GLN A 67 53.634 -9.886 4.566 1.00 0.00 N ATOM 1098 CA GLN A 67 53.809 -11.286 5.046 1.00 0.00 C ATOM 1099 C GLN A 67 54.634 -12.078 4.028 1.00 0.00 C ATOM 1100 O GLN A 67 54.733 -13.286 4.096 1.00 0.00 O ATOM 1101 CB GLN A 67 52.392 -11.853 5.149 1.00 0.00 C ATOM 1102 CG GLN A 67 51.555 -10.966 6.073 1.00 0.00 C ATOM 1103 CD GLN A 67 50.099 -11.435 6.051 1.00 0.00 C ATOM 1104 OE1 GLN A 67 49.823 -12.606 6.217 1.00 0.00 O ATOM 1105 NE2 GLN A 67 49.150 -10.561 5.852 1.00 0.00 N ATOM 0 H GLN A 67 53.124 -9.789 3.688 1.00 0.00 H new ATOM 0 HA GLN A 67 54.333 -11.339 6.000 1.00 0.00 H new ATOM 0 HB2 GLN A 67 51.935 -11.901 4.161 1.00 0.00 H new ATOM 0 HB3 GLN A 67 52.423 -12.872 5.535 1.00 0.00 H new ATOM 0 HG2 GLN A 67 51.947 -11.010 7.089 1.00 0.00 H new ATOM 0 HG3 GLN A 67 51.618 -9.926 5.752 1.00 0.00 H new ATOM 0 HE21 GLN A 67 49.383 -9.578 5.713 1.00 0.00 H new ATOM 0 HE22 GLN A 67 48.175 -10.861 5.836 1.00 0.00 H new ATOM 1114 N TYR A 68 55.227 -11.399 3.083 1.00 0.00 N ATOM 1115 CA TYR A 68 56.046 -12.102 2.055 1.00 0.00 C ATOM 1116 C TYR A 68 55.261 -13.272 1.461 1.00 0.00 C ATOM 1117 O TYR A 68 55.807 -14.320 1.178 1.00 0.00 O ATOM 1118 CB TYR A 68 57.279 -12.604 2.807 1.00 0.00 C ATOM 1119 CG TYR A 68 58.455 -11.709 2.498 1.00 0.00 C ATOM 1120 CD1 TYR A 68 58.453 -10.378 2.933 1.00 0.00 C ATOM 1121 CD2 TYR A 68 59.547 -12.210 1.781 1.00 0.00 C ATOM 1122 CE1 TYR A 68 59.545 -9.549 2.648 1.00 0.00 C ATOM 1123 CE2 TYR A 68 60.639 -11.381 1.497 1.00 0.00 C ATOM 1124 CZ TYR A 68 60.638 -10.050 1.930 1.00 0.00 C ATOM 1125 OH TYR A 68 61.714 -9.232 1.650 1.00 0.00 O ATOM 0 H TYR A 68 55.179 -10.385 2.979 1.00 0.00 H new ATOM 0 HA TYR A 68 56.315 -11.450 1.224 1.00 0.00 H new ATOM 0 HB2 TYR A 68 57.086 -12.612 3.880 1.00 0.00 H new ATOM 0 HB3 TYR A 68 57.503 -13.630 2.516 1.00 0.00 H new ATOM 0 HD1 TYR A 68 57.611 -9.991 3.487 1.00 0.00 H new ATOM 0 HD2 TYR A 68 59.548 -13.237 1.446 1.00 0.00 H new ATOM 0 HE1 TYR A 68 59.544 -8.522 2.982 1.00 0.00 H new ATOM 0 HE2 TYR A 68 61.482 -11.768 0.944 1.00 0.00 H new ATOM 0 HH TYR A 68 61.446 -8.550 0.999 1.00 0.00 H new ATOM 1135 N GLY A 69 53.981 -13.103 1.270 1.00 0.00 N ATOM 1136 CA GLY A 69 53.163 -14.206 0.697 1.00 0.00 C ATOM 1137 C GLY A 69 52.358 -14.866 1.813 1.00 0.00 C ATOM 1138 O GLY A 69 52.565 -14.600 2.981 1.00 0.00 O ATOM 0 H GLY A 69 53.468 -12.249 1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 69 52.493 -13.817 -0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 69 53.808 -14.940 0.214 1.00 0.00 H new ATOM 1142 N HIS A 70 51.441 -15.725 1.468 1.00 0.00 N ATOM 1143 CA HIS A 70 50.625 -16.397 2.517 1.00 0.00 C ATOM 1144 C HIS A 70 51.429 -17.522 3.176 1.00 0.00 C ATOM 1145 O HIS A 70 50.925 -18.253 4.006 1.00 0.00 O ATOM 1146 CB HIS A 70 49.410 -16.959 1.777 1.00 0.00 C ATOM 1147 CG HIS A 70 49.823 -18.154 0.960 1.00 0.00 C ATOM 1148 ND1 HIS A 70 49.225 -19.395 1.112 1.00 0.00 N ATOM 1149 CD2 HIS A 70 50.767 -18.312 -0.025 1.00 0.00 C ATOM 1150 CE1 HIS A 70 49.810 -20.237 0.240 1.00 0.00 C ATOM 1151 NE2 HIS A 70 50.757 -19.628 -0.477 1.00 0.00 N ATOM 0 H HIS A 70 51.221 -15.991 0.508 1.00 0.00 H new ATOM 0 HA HIS A 70 50.332 -15.713 3.314 1.00 0.00 H new ATOM 0 HB2 HIS A 70 48.637 -17.244 2.491 1.00 0.00 H new ATOM 0 HB3 HIS A 70 48.980 -16.194 1.130 1.00 0.00 H new ATOM 0 HD2 HIS A 70 51.418 -17.533 -0.393 1.00 0.00 H new ATOM 0 HE1 HIS A 70 49.545 -21.279 0.133 1.00 0.00 H new ATOM 0 HE2 HIS A 70 51.347 -20.039 -1.201 1.00 0.00 H new ATOM 1159 N ALA A 71 52.677 -17.662 2.819 1.00 0.00 N ATOM 1160 CA ALA A 71 53.513 -18.737 3.430 1.00 0.00 C ATOM 1161 C ALA A 71 53.987 -18.307 4.820 1.00 0.00 C ATOM 1162 O ALA A 71 54.123 -19.115 5.718 1.00 0.00 O ATOM 1163 CB ALA A 71 54.704 -18.899 2.486 1.00 0.00 C ATOM 0 H ALA A 71 53.154 -17.079 2.131 1.00 0.00 H new ATOM 0 HA ALA A 71 52.962 -19.669 3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 71 55.368 -19.675 2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 71 54.347 -19.182 1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 71 55.247 -17.956 2.421 1.00 0.00 H new ATOM 1169 N ALA A 72 54.240 -17.040 5.003 1.00 0.00 N ATOM 1170 CA ALA A 72 54.707 -16.557 6.334 1.00 0.00 C ATOM 1171 C ALA A 72 53.641 -16.834 7.398 1.00 0.00 C ATOM 1172 O ALA A 72 53.934 -16.939 8.572 1.00 0.00 O ATOM 1173 CB ALA A 72 54.914 -15.053 6.161 1.00 0.00 C ATOM 0 H ALA A 72 54.144 -16.318 4.289 1.00 0.00 H new ATOM 0 HA ALA A 72 55.619 -17.057 6.659 1.00 0.00 H new ATOM 0 HB1 ALA A 72 55.259 -14.623 7.101 1.00 0.00 H new ATOM 0 HB2 ALA A 72 55.659 -14.875 5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 72 53.972 -14.587 5.873 1.00 0.00 H new ATOM 1179 N PHE A 73 52.408 -16.957 6.993 1.00 0.00 N ATOM 1180 CA PHE A 73 51.322 -17.231 7.978 1.00 0.00 C ATOM 1181 C PHE A 73 50.616 -18.542 7.627 1.00 0.00 C ATOM 1182 O PHE A 73 50.173 -19.271 8.491 1.00 0.00 O ATOM 1183 CB PHE A 73 50.360 -16.051 7.848 1.00 0.00 C ATOM 1184 CG PHE A 73 50.778 -14.958 8.803 1.00 0.00 C ATOM 1185 CD1 PHE A 73 51.713 -13.998 8.401 1.00 0.00 C ATOM 1186 CD2 PHE A 73 50.229 -14.907 10.090 1.00 0.00 C ATOM 1187 CE1 PHE A 73 52.100 -12.985 9.287 1.00 0.00 C ATOM 1188 CE2 PHE A 73 50.617 -13.895 10.975 1.00 0.00 C ATOM 1189 CZ PHE A 73 51.552 -12.934 10.574 1.00 0.00 C ATOM 0 H PHE A 73 52.104 -16.880 6.022 1.00 0.00 H new ATOM 0 HA PHE A 73 51.701 -17.334 8.995 1.00 0.00 H new ATOM 0 HB2 PHE A 73 50.363 -15.676 6.825 1.00 0.00 H new ATOM 0 HB3 PHE A 73 49.342 -16.371 8.067 1.00 0.00 H new ATOM 0 HD1 PHE A 73 52.136 -14.038 7.408 1.00 0.00 H new ATOM 0 HD2 PHE A 73 49.507 -15.648 10.399 1.00 0.00 H new ATOM 0 HE1 PHE A 73 52.821 -12.243 8.977 1.00 0.00 H new ATOM 0 HE2 PHE A 73 50.195 -13.855 11.968 1.00 0.00 H new ATOM 0 HZ PHE A 73 51.851 -12.153 11.258 1.00 0.00 H new ATOM 1199 N GLU A 74 50.514 -18.847 6.362 1.00 0.00 N ATOM 1200 CA GLU A 74 49.841 -20.113 5.951 1.00 0.00 C ATOM 1201 C GLU A 74 48.359 -20.069 6.332 1.00 0.00 C ATOM 1202 O GLU A 74 47.731 -19.029 6.302 1.00 0.00 O ATOM 1203 CB GLU A 74 50.562 -21.221 6.723 1.00 0.00 C ATOM 1204 CG GLU A 74 52.072 -20.970 6.702 1.00 0.00 C ATOM 1205 CD GLU A 74 52.795 -22.228 6.217 1.00 0.00 C ATOM 1206 OE1 GLU A 74 52.151 -23.261 6.134 1.00 0.00 O ATOM 1207 OE2 GLU A 74 53.979 -22.136 5.938 1.00 0.00 O ATOM 0 H GLU A 74 50.867 -18.275 5.595 1.00 0.00 H new ATOM 0 HA GLU A 74 49.889 -20.274 4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 74 50.204 -21.252 7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 74 50.339 -22.191 6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 74 52.302 -20.130 6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 74 52.420 -20.700 7.699 1.00 0.00 H new ATOM 1214 N GLN A 75 47.795 -21.189 6.691 1.00 0.00 N ATOM 1215 CA GLN A 75 46.355 -21.207 7.073 1.00 0.00 C ATOM 1216 C GLN A 75 46.097 -20.210 8.205 1.00 0.00 C ATOM 1217 O GLN A 75 46.765 -20.220 9.219 1.00 0.00 O ATOM 1218 CB GLN A 75 46.087 -22.636 7.543 1.00 0.00 C ATOM 1219 CG GLN A 75 45.021 -23.272 6.651 1.00 0.00 C ATOM 1220 CD GLN A 75 43.773 -22.388 6.640 1.00 0.00 C ATOM 1221 OE1 GLN A 75 43.520 -21.686 5.680 1.00 0.00 O ATOM 1222 NE2 GLN A 75 42.975 -22.391 7.672 1.00 0.00 N ATOM 0 H GLN A 75 48.268 -22.091 6.736 1.00 0.00 H new ATOM 0 HA GLN A 75 45.704 -20.923 6.246 1.00 0.00 H new ATOM 0 HB2 GLN A 75 47.006 -23.222 7.505 1.00 0.00 H new ATOM 0 HB3 GLN A 75 45.754 -22.633 8.581 1.00 0.00 H new ATOM 0 HG2 GLN A 75 45.404 -23.392 5.638 1.00 0.00 H new ATOM 0 HG3 GLN A 75 44.771 -24.268 7.018 1.00 0.00 H new ATOM 0 HE21 GLN A 75 43.186 -22.979 8.478 1.00 0.00 H new ATOM 0 HE22 GLN A 75 42.140 -21.805 7.673 1.00 0.00 H new ATOM 1231 N GLY A 76 45.131 -19.347 8.039 1.00 0.00 N ATOM 1232 CA GLY A 76 44.832 -18.350 9.106 1.00 0.00 C ATOM 1233 C GLY A 76 43.637 -18.825 9.934 1.00 0.00 C ATOM 1234 O GLY A 76 43.710 -18.925 11.143 1.00 0.00 O ATOM 0 H GLY A 76 44.537 -19.290 7.212 1.00 0.00 H new ATOM 0 HA2 GLY A 76 45.703 -18.218 9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 76 44.615 -17.379 8.660 1.00 0.00 H new ATOM 1238 N GLY A 77 42.539 -19.121 9.295 1.00 0.00 N ATOM 1239 CA GLY A 77 41.342 -19.591 10.049 1.00 0.00 C ATOM 1240 C GLY A 77 40.081 -18.979 9.437 1.00 0.00 C ATOM 1241 O GLY A 77 39.129 -18.771 10.172 1.00 0.00 O ATOM 1242 OXT GLY A 77 40.088 -18.727 8.243 1.00 0.00 O ATOM 0 H GLY A 77 42.419 -19.058 8.284 1.00 0.00 H new ATOM 0 HA2 GLY A 77 41.283 -20.679 10.017 1.00 0.00 H new ATOM 0 HA3 GLY A 77 41.425 -19.307 11.098 1.00 0.00 H new TER 1246 GLY A 77