USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 712 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 68 MET CE :methyl -122:sc= -3 (180deg=-0.762) USER MOD Set 1.2: A 72 GLN : amide:sc= -3.67 K(o=-6.7,f=-15!) USER MOD Set 2.1: A 7 SER OG : rot 50:sc= -0.52 USER MOD Set 2.2: A 56 GLN : amide:sc= -0.143 X(o=-0.66,f=-0.72) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -103:sc= 0.0997 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= -0.0179 (180deg=-0.271) USER MOD Single : A 6 SER OG : rot 27:sc= 0.387 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 90:sc= -0.0245 USER MOD Single : A 21 MET CE :methyl -146:sc= -6.92! (180deg=-10.9!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -80:sc= 0.382 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -110:sc= -0.719 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.61) USER MOD Single : A 57 CYS SG : rot 82:sc= -2.93! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 103:sc= 0 USER MOD Single : A 74 THR OG1 : rot -50:sc= 0.737 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 82 SER OG : rot 49:sc= 0.00671 USER MOD Single : A 83 MET CE :methyl 149:sc= -2.77 (180deg=-5.07!) USER MOD Single : A 89 ASN : amide:sc= -0.739 X(o=-0.74,f=-0.74) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.565 -1.287 5.160 1.00 0.00 N ATOM 2 CA MET A 1 16.687 -0.180 5.480 1.00 0.00 C ATOM 3 C MET A 1 15.239 -0.577 5.229 1.00 0.00 C ATOM 4 O MET A 1 14.997 -1.455 4.403 1.00 0.00 O ATOM 5 CB MET A 1 17.068 1.031 4.634 1.00 0.00 C ATOM 6 CG MET A 1 18.198 1.794 5.318 1.00 0.00 C ATOM 7 SD MET A 1 19.036 2.987 4.244 1.00 0.00 S ATOM 8 CE MET A 1 20.679 2.954 5.003 1.00 0.00 C ATOM 0 H1 MET A 1 17.881 -1.745 6.039 1.00 0.00 H new ATOM 0 H2 MET A 1 17.054 -1.977 4.574 1.00 0.00 H new ATOM 0 H3 MET A 1 18.392 -0.934 4.637 1.00 0.00 H new ATOM 0 HA MET A 1 16.794 0.079 6.533 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.381 0.710 3.640 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.204 1.682 4.501 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.796 2.320 6.184 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.931 1.079 5.692 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.340 3.636 4.469 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.604 3.263 6.046 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.083 1.943 4.952 1.00 0.00 H new ATOM 20 N LEU A 2 14.318 0.064 5.934 1.00 0.00 N ATOM 21 CA LEU A 2 12.906 -0.238 5.771 1.00 0.00 C ATOM 22 C LEU A 2 12.283 0.765 4.798 1.00 0.00 C ATOM 23 O LEU A 2 11.798 1.816 5.212 1.00 0.00 O ATOM 24 CB LEU A 2 12.209 -0.289 7.132 1.00 0.00 C ATOM 25 CG LEU A 2 12.352 0.958 8.007 1.00 0.00 C ATOM 26 CD1 LEU A 2 10.985 1.452 8.484 1.00 0.00 C ATOM 27 CD2 LEU A 2 13.309 0.704 9.172 1.00 0.00 C ATOM 0 H LEU A 2 14.522 0.791 6.619 1.00 0.00 H new ATOM 0 HA LEU A 2 12.776 -1.228 5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.147 -0.473 6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.599 -1.143 7.686 1.00 0.00 H new ATOM 0 HG LEU A 2 12.788 1.752 7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.115 2.339 9.104 1.00 0.00 H new ATOM 0 HD12 LEU A 2 10.366 1.699 7.621 1.00 0.00 H new ATOM 0 HD13 LEU A 2 10.499 0.670 9.067 1.00 0.00 H new ATOM 0 HD21 LEU A 2 13.392 1.606 9.778 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.926 -0.111 9.786 1.00 0.00 H new ATOM 0 HD23 LEU A 2 14.292 0.436 8.784 1.00 0.00 H new ATOM 39 N VAL A 3 12.317 0.404 3.524 1.00 0.00 N ATOM 40 CA VAL A 3 11.761 1.258 2.489 1.00 0.00 C ATOM 41 C VAL A 3 11.284 0.394 1.320 1.00 0.00 C ATOM 42 O VAL A 3 11.631 -0.784 1.232 1.00 0.00 O ATOM 43 CB VAL A 3 12.791 2.311 2.072 1.00 0.00 C ATOM 44 CG1 VAL A 3 13.928 1.678 1.267 1.00 0.00 C ATOM 45 CG2 VAL A 3 12.128 3.444 1.286 1.00 0.00 C ATOM 0 H VAL A 3 12.721 -0.469 3.185 1.00 0.00 H new ATOM 0 HA VAL A 3 10.894 1.800 2.867 1.00 0.00 H new ATOM 0 HB VAL A 3 13.220 2.738 2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 3 14.646 2.448 0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 3 14.427 0.923 1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 3 13.522 1.212 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 3 12.881 4.179 1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.659 3.039 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 3 11.370 3.923 1.907 1.00 0.00 H new ATOM 55 N ALA A 4 10.497 1.010 0.452 1.00 0.00 N ATOM 56 CA ALA A 4 9.968 0.312 -0.707 1.00 0.00 C ATOM 57 C ALA A 4 8.803 -0.579 -0.272 1.00 0.00 C ATOM 58 O ALA A 4 8.962 -1.791 -0.133 1.00 0.00 O ATOM 59 CB ALA A 4 11.089 -0.482 -1.380 1.00 0.00 C ATOM 0 H ALA A 4 10.212 1.986 0.528 1.00 0.00 H new ATOM 0 HA ALA A 4 9.585 1.021 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.692 -1.006 -2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.879 0.200 -1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.496 -1.206 -0.675 1.00 0.00 H new ATOM 65 N LYS A 5 7.657 0.055 -0.071 1.00 0.00 N ATOM 66 CA LYS A 5 6.466 -0.665 0.344 1.00 0.00 C ATOM 67 C LYS A 5 5.730 -1.183 -0.893 1.00 0.00 C ATOM 68 O LYS A 5 6.117 -0.881 -2.021 1.00 0.00 O ATOM 69 CB LYS A 5 5.600 0.210 1.252 1.00 0.00 C ATOM 70 CG LYS A 5 6.199 0.302 2.657 1.00 0.00 C ATOM 71 CD LYS A 5 5.478 -0.640 3.623 1.00 0.00 C ATOM 72 CE LYS A 5 4.058 -0.149 3.911 1.00 0.00 C ATOM 73 NZ LYS A 5 4.091 1.097 4.708 1.00 0.00 N ATOM 0 H LYS A 5 7.528 1.060 -0.188 1.00 0.00 H new ATOM 0 HA LYS A 5 6.737 -1.535 0.942 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.512 1.209 0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.593 -0.203 1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.259 0.051 2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.126 1.327 3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.440 -1.643 3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.039 -0.709 4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.531 0.026 2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.504 -0.917 4.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.162 1.251 5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.817 1.016 5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.317 1.900 4.087 1.00 0.00 H new ATOM 87 N SER A 6 4.683 -1.955 -0.640 1.00 0.00 N ATOM 88 CA SER A 6 3.890 -2.517 -1.720 1.00 0.00 C ATOM 89 C SER A 6 2.448 -2.728 -1.255 1.00 0.00 C ATOM 90 O SER A 6 2.188 -2.838 -0.058 1.00 0.00 O ATOM 91 CB SER A 6 4.487 -3.837 -2.213 1.00 0.00 C ATOM 92 OG SER A 6 5.120 -4.561 -1.162 1.00 0.00 O ATOM 0 H SER A 6 4.366 -2.204 0.297 1.00 0.00 H new ATOM 0 HA SER A 6 3.898 -1.813 -2.552 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.700 -4.449 -2.652 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.211 -3.635 -3.002 1.00 0.00 H new ATOM 0 HG SER A 6 4.708 -4.322 -0.306 1.00 0.00 H new ATOM 98 N SER A 7 1.547 -2.778 -2.226 1.00 0.00 N ATOM 99 CA SER A 7 0.138 -2.975 -1.931 1.00 0.00 C ATOM 100 C SER A 7 -0.421 -4.114 -2.785 1.00 0.00 C ATOM 101 O SER A 7 -0.671 -3.937 -3.977 1.00 0.00 O ATOM 102 CB SER A 7 -0.658 -1.691 -2.172 1.00 0.00 C ATOM 103 OG SER A 7 -2.049 -1.950 -2.343 1.00 0.00 O ATOM 0 H SER A 7 1.766 -2.685 -3.218 1.00 0.00 H new ATOM 0 HA SER A 7 0.042 -3.239 -0.878 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.516 -1.013 -1.330 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.272 -1.186 -3.057 1.00 0.00 H new ATOM 0 HG SER A 7 -2.367 -2.521 -1.613 1.00 0.00 H new ATOM 109 N ILE A 8 -0.602 -5.259 -2.142 1.00 0.00 N ATOM 110 CA ILE A 8 -1.128 -6.427 -2.828 1.00 0.00 C ATOM 111 C ILE A 8 -2.652 -6.444 -2.702 1.00 0.00 C ATOM 112 O ILE A 8 -3.196 -6.098 -1.654 1.00 0.00 O ATOM 113 CB ILE A 8 -0.454 -7.700 -2.311 1.00 0.00 C ATOM 114 CG1 ILE A 8 1.057 -7.658 -2.555 1.00 0.00 C ATOM 115 CG2 ILE A 8 -1.099 -8.947 -2.919 1.00 0.00 C ATOM 116 CD1 ILE A 8 1.815 -7.410 -1.250 1.00 0.00 C ATOM 0 H ILE A 8 -0.394 -5.402 -1.154 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.896 -6.380 -3.892 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.604 -7.753 -1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.384 -8.599 -2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.292 -6.871 -3.272 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.602 -9.838 -2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.155 -8.977 -2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.000 -8.915 -4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.886 -7.385 -1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.503 -6.457 -0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.597 -8.212 -0.545 1.00 0.00 H new ATOM 128 N LEU A 9 -3.299 -6.849 -3.785 1.00 0.00 N ATOM 129 CA LEU A 9 -4.751 -6.915 -3.809 1.00 0.00 C ATOM 130 C LEU A 9 -5.188 -8.375 -3.947 1.00 0.00 C ATOM 131 O LEU A 9 -5.071 -8.963 -5.021 1.00 0.00 O ATOM 132 CB LEU A 9 -5.311 -6.000 -4.899 1.00 0.00 C ATOM 133 CG LEU A 9 -6.822 -6.077 -5.129 1.00 0.00 C ATOM 134 CD1 LEU A 9 -7.562 -5.066 -4.250 1.00 0.00 C ATOM 135 CD2 LEU A 9 -7.161 -5.905 -6.611 1.00 0.00 C ATOM 0 H LEU A 9 -2.845 -7.135 -4.652 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.165 -6.545 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.054 -4.971 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.808 -6.236 -5.837 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.162 -7.070 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.634 -5.141 -4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.357 -5.278 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.223 -4.058 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.241 -5.964 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.804 -4.934 -6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.679 -6.694 -7.188 1.00 0.00 H new ATOM 147 N LEU A 10 -5.683 -8.918 -2.844 1.00 0.00 N ATOM 148 CA LEU A 10 -6.138 -10.297 -2.829 1.00 0.00 C ATOM 149 C LEU A 10 -7.602 -10.352 -3.268 1.00 0.00 C ATOM 150 O LEU A 10 -8.339 -9.379 -3.110 1.00 0.00 O ATOM 151 CB LEU A 10 -5.884 -10.930 -1.458 1.00 0.00 C ATOM 152 CG LEU A 10 -4.508 -11.568 -1.259 1.00 0.00 C ATOM 153 CD1 LEU A 10 -3.391 -10.590 -1.633 1.00 0.00 C ATOM 154 CD2 LEU A 10 -4.351 -12.098 0.168 1.00 0.00 C ATOM 0 H LEU A 10 -5.779 -8.427 -1.955 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.568 -10.893 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.021 -10.164 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.644 -11.692 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.427 -12.422 -1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.423 -11.068 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.495 -10.302 -2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.459 -9.702 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.364 -12.547 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.461 -11.276 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.116 -12.849 0.363 1.00 0.00 H new ATOM 166 N ASP A 11 -7.981 -11.499 -3.812 1.00 0.00 N ATOM 167 CA ASP A 11 -9.345 -11.693 -4.276 1.00 0.00 C ATOM 168 C ASP A 11 -9.857 -13.048 -3.787 1.00 0.00 C ATOM 169 O ASP A 11 -9.545 -14.083 -4.373 1.00 0.00 O ATOM 170 CB ASP A 11 -9.412 -11.686 -5.806 1.00 0.00 C ATOM 171 CG ASP A 11 -10.709 -12.242 -6.397 1.00 0.00 C ATOM 172 OD1 ASP A 11 -11.711 -12.419 -5.688 1.00 0.00 O ATOM 173 OD2 ASP A 11 -10.664 -12.499 -7.661 1.00 0.00 O ATOM 0 H ASP A 11 -7.368 -12.304 -3.942 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.954 -10.878 -3.884 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.280 -10.662 -6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -8.575 -12.266 -6.194 1.00 0.00 H new ATOM 178 N VAL A 12 -10.637 -12.999 -2.716 1.00 0.00 N ATOM 179 CA VAL A 12 -11.197 -14.209 -2.141 1.00 0.00 C ATOM 180 C VAL A 12 -12.686 -14.288 -2.478 1.00 0.00 C ATOM 181 O VAL A 12 -13.366 -13.266 -2.550 1.00 0.00 O ATOM 182 CB VAL A 12 -10.922 -14.249 -0.636 1.00 0.00 C ATOM 183 CG1 VAL A 12 -11.308 -15.607 -0.045 1.00 0.00 C ATOM 184 CG2 VAL A 12 -9.458 -13.918 -0.337 1.00 0.00 C ATOM 0 H VAL A 12 -10.894 -12.139 -2.232 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.720 -15.091 -2.569 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.541 -13.488 -0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.103 -15.610 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.370 -15.788 -0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.726 -16.392 -0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.289 -13.953 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.813 -14.645 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.228 -12.919 -0.708 1.00 0.00 H new ATOM 194 N LYS A 13 -13.152 -15.513 -2.678 1.00 0.00 N ATOM 195 CA LYS A 13 -14.549 -15.739 -3.007 1.00 0.00 C ATOM 196 C LYS A 13 -15.243 -16.420 -1.826 1.00 0.00 C ATOM 197 O LYS A 13 -14.694 -17.345 -1.229 1.00 0.00 O ATOM 198 CB LYS A 13 -14.672 -16.512 -4.321 1.00 0.00 C ATOM 199 CG LYS A 13 -15.798 -15.943 -5.188 1.00 0.00 C ATOM 200 CD LYS A 13 -15.309 -15.670 -6.613 1.00 0.00 C ATOM 201 CE LYS A 13 -16.428 -15.899 -7.630 1.00 0.00 C ATOM 202 NZ LYS A 13 -16.157 -17.111 -8.435 1.00 0.00 N ATOM 0 H LYS A 13 -12.586 -16.359 -2.618 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.059 -14.790 -3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.729 -16.464 -4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.865 -17.564 -4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.632 -16.645 -5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.172 -15.020 -4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.950 -14.644 -6.688 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.465 -16.321 -6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.382 -16.005 -7.113 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.515 -15.032 -8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.926 -17.252 -9.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.257 -16.996 -8.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -16.097 -17.938 -7.808 1.00 0.00 H new ATOM 216 N PRO A 14 -16.471 -15.924 -1.516 1.00 0.00 N ATOM 217 CA PRO A 14 -17.245 -16.475 -0.417 1.00 0.00 C ATOM 218 C PRO A 14 -17.848 -17.829 -0.796 1.00 0.00 C ATOM 219 O PRO A 14 -18.044 -18.117 -1.976 1.00 0.00 O ATOM 220 CB PRO A 14 -18.296 -15.421 -0.109 1.00 0.00 C ATOM 221 CG PRO A 14 -18.368 -14.533 -1.340 1.00 0.00 C ATOM 222 CD PRO A 14 -17.151 -14.830 -2.202 1.00 0.00 C ATOM 0 HA PRO A 14 -16.637 -16.681 0.464 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.262 -15.881 0.098 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.023 -14.843 0.774 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.286 -14.725 -1.896 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.384 -13.482 -1.052 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.442 -15.116 -3.213 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.506 -13.956 -2.291 1.00 0.00 H new ATOM 230 N TRP A 15 -18.127 -18.624 0.226 1.00 0.00 N ATOM 231 CA TRP A 15 -18.705 -19.940 0.016 1.00 0.00 C ATOM 232 C TRP A 15 -20.100 -19.753 -0.584 1.00 0.00 C ATOM 233 O TRP A 15 -20.561 -20.586 -1.364 1.00 0.00 O ATOM 234 CB TRP A 15 -18.716 -20.749 1.314 1.00 0.00 C ATOM 235 CG TRP A 15 -17.601 -21.793 1.406 1.00 0.00 C ATOM 236 CD1 TRP A 15 -16.765 -22.019 2.428 1.00 0.00 C ATOM 237 CD2 TRP A 15 -17.234 -22.751 0.391 1.00 0.00 C ATOM 238 NE1 TRP A 15 -15.888 -23.048 2.147 1.00 0.00 N ATOM 239 CE2 TRP A 15 -16.183 -23.506 0.869 1.00 0.00 C ATOM 240 CE3 TRP A 15 -17.773 -22.971 -0.889 1.00 0.00 C ATOM 241 CZ2 TRP A 15 -15.580 -24.533 0.132 1.00 0.00 C ATOM 242 CZ3 TRP A 15 -17.158 -24.000 -1.613 1.00 0.00 C ATOM 243 CH2 TRP A 15 -16.099 -24.770 -1.146 1.00 0.00 C ATOM 0 H TRP A 15 -17.963 -18.382 1.203 1.00 0.00 H new ATOM 0 HA TRP A 15 -18.100 -20.519 -0.682 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.629 -20.064 2.158 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.679 -21.251 1.409 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.776 -21.466 3.355 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -15.159 -23.406 2.764 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -18.596 -22.392 -1.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -14.758 -25.111 0.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.533 -24.210 -2.604 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -15.679 -25.548 -1.767 1.00 0.00 H new ATOM 254 N ASP A 16 -20.734 -18.657 -0.197 1.00 0.00 N ATOM 255 CA ASP A 16 -22.067 -18.350 -0.687 1.00 0.00 C ATOM 256 C ASP A 16 -22.544 -17.036 -0.067 1.00 0.00 C ATOM 257 O ASP A 16 -21.849 -16.447 0.761 1.00 0.00 O ATOM 258 CB ASP A 16 -23.063 -19.445 -0.297 1.00 0.00 C ATOM 259 CG ASP A 16 -23.570 -20.301 -1.459 1.00 0.00 C ATOM 260 OD1 ASP A 16 -24.108 -19.780 -2.447 1.00 0.00 O ATOM 261 OD2 ASP A 16 -23.394 -21.571 -1.318 1.00 0.00 O ATOM 0 H ASP A 16 -20.349 -17.970 0.451 1.00 0.00 H new ATOM 0 HA ASP A 16 -22.018 -18.277 -1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.592 -20.098 0.438 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.919 -18.980 0.192 1.00 0.00 H new ATOM 266 N ASP A 17 -23.726 -16.612 -0.491 1.00 0.00 N ATOM 267 CA ASP A 17 -24.304 -15.378 0.013 1.00 0.00 C ATOM 268 C ASP A 17 -24.362 -15.433 1.541 1.00 0.00 C ATOM 269 O ASP A 17 -24.439 -14.398 2.200 1.00 0.00 O ATOM 270 CB ASP A 17 -25.730 -15.184 -0.508 1.00 0.00 C ATOM 271 CG ASP A 17 -26.832 -15.684 0.427 1.00 0.00 C ATOM 272 OD1 ASP A 17 -26.996 -16.963 0.442 1.00 0.00 O ATOM 273 OD2 ASP A 17 -27.501 -14.891 1.106 1.00 0.00 O ATOM 0 H ASP A 17 -24.299 -17.102 -1.178 1.00 0.00 H new ATOM 0 HA ASP A 17 -23.681 -14.551 -0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -25.890 -14.123 -0.699 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -25.825 -15.698 -1.465 1.00 0.00 H new ATOM 278 N GLU A 18 -24.323 -16.651 2.059 1.00 0.00 N ATOM 279 CA GLU A 18 -24.370 -16.855 3.498 1.00 0.00 C ATOM 280 C GLU A 18 -23.090 -16.328 4.150 1.00 0.00 C ATOM 281 O GLU A 18 -23.141 -15.708 5.212 1.00 0.00 O ATOM 282 CB GLU A 18 -24.590 -18.331 3.835 1.00 0.00 C ATOM 283 CG GLU A 18 -23.306 -19.138 3.629 1.00 0.00 C ATOM 284 CD GLU A 18 -23.563 -20.634 3.817 1.00 0.00 C ATOM 285 OE1 GLU A 18 -23.565 -21.125 4.956 1.00 0.00 O ATOM 286 OE2 GLU A 18 -23.767 -21.294 2.727 1.00 0.00 O ATOM 0 H GLU A 18 -24.259 -17.507 1.509 1.00 0.00 H new ATOM 0 HA GLU A 18 -25.215 -16.295 3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -24.922 -18.426 4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -25.383 -18.737 3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.914 -18.956 2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.545 -18.804 4.335 1.00 0.00 H new ATOM 293 N THR A 19 -21.974 -16.593 3.488 1.00 0.00 N ATOM 294 CA THR A 19 -20.684 -16.153 3.991 1.00 0.00 C ATOM 295 C THR A 19 -20.746 -14.681 4.404 1.00 0.00 C ATOM 296 O THR A 19 -20.791 -13.795 3.552 1.00 0.00 O ATOM 297 CB THR A 19 -19.634 -16.438 2.915 1.00 0.00 C ATOM 298 OG1 THR A 19 -19.352 -17.826 3.066 1.00 0.00 O ATOM 299 CG2 THR A 19 -18.298 -15.752 3.204 1.00 0.00 C ATOM 0 H THR A 19 -21.936 -17.107 2.608 1.00 0.00 H new ATOM 0 HA THR A 19 -20.404 -16.699 4.892 1.00 0.00 H new ATOM 0 HB THR A 19 -20.008 -16.108 1.946 1.00 0.00 H new ATOM 0 HG1 THR A 19 -19.960 -18.347 2.500 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.589 -15.987 2.410 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.446 -14.673 3.251 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.906 -16.106 4.157 1.00 0.00 H new ATOM 307 N ASP A 20 -20.746 -14.466 5.711 1.00 0.00 N ATOM 308 CA ASP A 20 -20.802 -13.117 6.248 1.00 0.00 C ATOM 309 C ASP A 20 -19.714 -12.265 5.589 1.00 0.00 C ATOM 310 O ASP A 20 -18.566 -12.270 6.030 1.00 0.00 O ATOM 311 CB ASP A 20 -20.556 -13.113 7.758 1.00 0.00 C ATOM 312 CG ASP A 20 -21.630 -12.404 8.586 1.00 0.00 C ATOM 313 OD1 ASP A 20 -22.828 -12.477 8.275 1.00 0.00 O ATOM 314 OD2 ASP A 20 -21.188 -11.747 9.604 1.00 0.00 O ATOM 0 H ASP A 20 -20.708 -15.204 6.414 1.00 0.00 H new ATOM 0 HA ASP A 20 -21.794 -12.714 6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -20.476 -14.145 8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.595 -12.637 7.953 1.00 0.00 H new ATOM 319 N MET A 21 -20.115 -11.555 4.545 1.00 0.00 N ATOM 320 CA MET A 21 -19.188 -10.700 3.822 1.00 0.00 C ATOM 321 C MET A 21 -18.586 -9.639 4.745 1.00 0.00 C ATOM 322 O MET A 21 -17.392 -9.355 4.673 1.00 0.00 O ATOM 323 CB MET A 21 -19.921 -10.016 2.666 1.00 0.00 C ATOM 324 CG MET A 21 -19.926 -10.902 1.418 1.00 0.00 C ATOM 325 SD MET A 21 -19.742 -9.897 -0.045 1.00 0.00 S ATOM 326 CE MET A 21 -18.888 -11.051 -1.107 1.00 0.00 C ATOM 0 H MET A 21 -21.068 -11.554 4.182 1.00 0.00 H new ATOM 0 HA MET A 21 -18.378 -11.319 3.435 1.00 0.00 H new ATOM 0 HB2 MET A 21 -20.946 -9.793 2.962 1.00 0.00 H new ATOM 0 HB3 MET A 21 -19.441 -9.064 2.439 1.00 0.00 H new ATOM 0 HG2 MET A 21 -19.115 -11.628 1.474 1.00 0.00 H new ATOM 0 HG3 MET A 21 -20.857 -11.467 1.367 1.00 0.00 H new ATOM 0 HE1 MET A 21 -18.192 -10.509 -1.747 1.00 0.00 H new ATOM 0 HE2 MET A 21 -18.338 -11.768 -0.497 1.00 0.00 H new ATOM 0 HE3 MET A 21 -19.612 -11.581 -1.725 1.00 0.00 H new ATOM 336 N ALA A 22 -19.441 -9.083 5.590 1.00 0.00 N ATOM 337 CA ALA A 22 -19.009 -8.060 6.526 1.00 0.00 C ATOM 338 C ALA A 22 -17.919 -8.633 7.434 1.00 0.00 C ATOM 339 O ALA A 22 -16.911 -7.976 7.692 1.00 0.00 O ATOM 340 CB ALA A 22 -20.215 -7.546 7.315 1.00 0.00 C ATOM 0 H ALA A 22 -20.431 -9.322 5.646 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.582 -7.210 5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -19.890 -6.778 8.017 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -20.946 -7.122 6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.669 -8.371 7.864 1.00 0.00 H new ATOM 346 N LYS A 23 -18.159 -9.851 7.897 1.00 0.00 N ATOM 347 CA LYS A 23 -17.211 -10.520 8.772 1.00 0.00 C ATOM 348 C LYS A 23 -15.941 -10.848 7.983 1.00 0.00 C ATOM 349 O LYS A 23 -14.832 -10.686 8.490 1.00 0.00 O ATOM 350 CB LYS A 23 -17.858 -11.740 9.431 1.00 0.00 C ATOM 351 CG LYS A 23 -17.225 -12.026 10.794 1.00 0.00 C ATOM 352 CD LYS A 23 -18.237 -11.820 11.922 1.00 0.00 C ATOM 353 CE LYS A 23 -17.529 -11.541 13.250 1.00 0.00 C ATOM 354 NZ LYS A 23 -18.348 -10.645 14.097 1.00 0.00 N ATOM 0 H LYS A 23 -18.997 -10.392 7.683 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.918 -9.863 9.591 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -18.928 -11.568 9.551 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.746 -12.610 8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.852 -13.050 10.818 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.368 -11.370 10.946 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.897 -10.988 11.676 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -18.864 -12.706 12.019 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.345 -12.479 13.774 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.557 -11.085 13.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.853 -10.466 14.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.502 -9.744 13.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.265 -11.094 14.292 1.00 0.00 H new ATOM 368 N LEU A 24 -16.146 -11.303 6.756 1.00 0.00 N ATOM 369 CA LEU A 24 -15.031 -11.655 5.893 1.00 0.00 C ATOM 370 C LEU A 24 -14.176 -10.413 5.638 1.00 0.00 C ATOM 371 O LEU A 24 -12.950 -10.472 5.715 1.00 0.00 O ATOM 372 CB LEU A 24 -15.535 -12.328 4.614 1.00 0.00 C ATOM 373 CG LEU A 24 -14.864 -13.651 4.242 1.00 0.00 C ATOM 374 CD1 LEU A 24 -15.566 -14.307 3.052 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.368 -13.454 3.987 1.00 0.00 C ATOM 0 H LEU A 24 -17.067 -11.436 6.339 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.389 -12.389 6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.606 -12.503 4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.404 -11.632 3.785 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.960 -14.332 5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.069 -15.246 2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.607 -14.503 3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.523 -13.640 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.915 -14.410 3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.228 -12.749 3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.894 -13.063 4.887 1.00 0.00 H new ATOM 387 N GLU A 25 -14.856 -9.316 5.340 1.00 0.00 N ATOM 388 CA GLU A 25 -14.175 -8.061 5.075 1.00 0.00 C ATOM 389 C GLU A 25 -13.670 -7.444 6.381 1.00 0.00 C ATOM 390 O GLU A 25 -12.630 -6.786 6.400 1.00 0.00 O ATOM 391 CB GLU A 25 -15.088 -7.089 4.326 1.00 0.00 C ATOM 392 CG GLU A 25 -14.332 -5.816 3.938 1.00 0.00 C ATOM 393 CD GLU A 25 -15.280 -4.781 3.326 1.00 0.00 C ATOM 394 OE1 GLU A 25 -15.751 -5.093 2.167 1.00 0.00 O ATOM 395 OE2 GLU A 25 -15.539 -3.737 3.942 1.00 0.00 O ATOM 0 H GLU A 25 -15.873 -9.271 5.276 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.315 -8.265 4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.481 -7.570 3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.943 -6.832 4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.846 -5.394 4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.544 -6.059 3.225 1.00 0.00 H new ATOM 402 N GLU A 26 -14.429 -7.678 7.441 1.00 0.00 N ATOM 403 CA GLU A 26 -14.072 -7.153 8.748 1.00 0.00 C ATOM 404 C GLU A 26 -12.823 -7.858 9.279 1.00 0.00 C ATOM 405 O GLU A 26 -11.812 -7.213 9.555 1.00 0.00 O ATOM 406 CB GLU A 26 -15.237 -7.288 9.730 1.00 0.00 C ATOM 407 CG GLU A 26 -14.739 -7.274 11.177 1.00 0.00 C ATOM 408 CD GLU A 26 -15.669 -6.448 12.068 1.00 0.00 C ATOM 409 OE1 GLU A 26 -16.885 -6.413 11.831 1.00 0.00 O ATOM 410 OE2 GLU A 26 -15.087 -5.829 13.038 1.00 0.00 O ATOM 0 H GLU A 26 -15.290 -8.224 7.422 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.850 -6.091 8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.943 -6.472 9.577 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.775 -8.216 9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.679 -8.295 11.555 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.731 -6.861 11.215 1.00 0.00 H new ATOM 417 N CYS A 27 -12.933 -9.172 9.407 1.00 0.00 N ATOM 418 CA CYS A 27 -11.823 -9.972 9.900 1.00 0.00 C ATOM 419 C CYS A 27 -10.548 -9.513 9.192 1.00 0.00 C ATOM 420 O CYS A 27 -9.564 -9.163 9.841 1.00 0.00 O ATOM 421 CB CYS A 27 -12.076 -11.468 9.709 1.00 0.00 C ATOM 422 SG CYS A 27 -11.040 -12.432 10.870 1.00 0.00 S ATOM 0 H CYS A 27 -13.773 -9.703 9.178 1.00 0.00 H new ATOM 0 HA CYS A 27 -11.713 -9.824 10.974 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.129 -11.691 9.877 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -11.849 -11.755 8.682 1.00 0.00 H new ATOM 0 HG CYS A 27 -11.265 -13.701 10.701 1.00 0.00 H new ATOM 428 N VAL A 28 -10.605 -9.528 7.868 1.00 0.00 N ATOM 429 CA VAL A 28 -9.467 -9.118 7.064 1.00 0.00 C ATOM 430 C VAL A 28 -8.878 -7.831 7.642 1.00 0.00 C ATOM 431 O VAL A 28 -7.811 -7.852 8.254 1.00 0.00 O ATOM 432 CB VAL A 28 -9.884 -8.980 5.598 1.00 0.00 C ATOM 433 CG1 VAL A 28 -8.780 -8.314 4.775 1.00 0.00 C ATOM 434 CG2 VAL A 28 -10.267 -10.338 5.006 1.00 0.00 C ATOM 0 H VAL A 28 -11.423 -9.818 7.332 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.684 -9.876 7.095 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.764 -8.338 5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.102 -8.228 3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.577 -7.321 5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.874 -8.918 4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.559 -10.211 3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.414 -11.014 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.101 -10.758 5.568 1.00 0.00 H new ATOM 444 N ARG A 29 -9.598 -6.739 7.427 1.00 0.00 N ATOM 445 CA ARG A 29 -9.159 -5.444 7.919 1.00 0.00 C ATOM 446 C ARG A 29 -8.768 -5.541 9.394 1.00 0.00 C ATOM 447 O ARG A 29 -7.916 -4.790 9.865 1.00 0.00 O ATOM 448 CB ARG A 29 -10.259 -4.392 7.759 1.00 0.00 C ATOM 449 CG ARG A 29 -11.490 -4.756 8.591 1.00 0.00 C ATOM 450 CD ARG A 29 -12.425 -3.554 8.742 1.00 0.00 C ATOM 451 NE ARG A 29 -13.548 -3.663 7.784 1.00 0.00 N ATOM 452 CZ ARG A 29 -14.645 -2.894 7.822 1.00 0.00 C ATOM 453 NH1 ARG A 29 -14.773 -1.955 8.770 1.00 0.00 N ATOM 454 NH2 ARG A 29 -15.614 -3.063 6.912 1.00 0.00 N ATOM 0 H ARG A 29 -10.482 -6.725 6.919 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.294 -5.142 7.329 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.882 -3.417 8.068 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.537 -4.308 6.708 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.024 -5.579 8.116 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.178 -5.104 9.576 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -12.809 -3.507 9.761 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.874 -2.630 8.566 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.483 -4.367 7.049 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.035 -1.826 9.463 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.608 -1.370 8.799 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.517 -3.777 6.190 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.449 -2.478 6.941 1.00 0.00 H new ATOM 468 N SER A 30 -9.409 -6.474 10.083 1.00 0.00 N ATOM 469 CA SER A 30 -9.139 -6.680 11.496 1.00 0.00 C ATOM 470 C SER A 30 -7.681 -7.101 11.694 1.00 0.00 C ATOM 471 O SER A 30 -7.110 -6.892 12.762 1.00 0.00 O ATOM 472 CB SER A 30 -10.080 -7.729 12.090 1.00 0.00 C ATOM 473 OG SER A 30 -9.373 -8.865 12.579 1.00 0.00 O ATOM 0 H SER A 30 -10.115 -7.096 9.689 1.00 0.00 H new ATOM 0 HA SER A 30 -9.313 -5.739 12.018 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.654 -7.283 12.902 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.795 -8.046 11.331 1.00 0.00 H new ATOM 0 HG SER A 30 -9.140 -9.453 11.830 1.00 0.00 H new ATOM 479 N ILE A 31 -7.121 -7.689 10.647 1.00 0.00 N ATOM 480 CA ILE A 31 -5.742 -8.143 10.692 1.00 0.00 C ATOM 481 C ILE A 31 -4.817 -6.934 10.858 1.00 0.00 C ATOM 482 O ILE A 31 -4.948 -5.946 10.138 1.00 0.00 O ATOM 483 CB ILE A 31 -5.419 -9.000 9.466 1.00 0.00 C ATOM 484 CG1 ILE A 31 -6.393 -10.174 9.347 1.00 0.00 C ATOM 485 CG2 ILE A 31 -3.962 -9.464 9.490 1.00 0.00 C ATOM 486 CD1 ILE A 31 -6.439 -10.704 7.912 1.00 0.00 C ATOM 0 H ILE A 31 -7.598 -7.861 9.762 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.582 -8.789 11.555 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.546 -8.385 8.575 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.090 -10.973 10.024 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.390 -9.857 9.654 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.759 -10.071 8.608 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.304 -8.595 9.492 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.784 -10.057 10.387 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.139 -11.538 7.854 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.765 -9.909 7.241 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.446 -11.043 7.617 1.00 0.00 H new ATOM 498 N GLN A 32 -3.905 -7.055 11.811 1.00 0.00 N ATOM 499 CA GLN A 32 -2.959 -5.985 12.080 1.00 0.00 C ATOM 500 C GLN A 32 -1.529 -6.529 12.085 1.00 0.00 C ATOM 501 O GLN A 32 -1.283 -7.634 12.567 1.00 0.00 O ATOM 502 CB GLN A 32 -3.284 -5.286 13.402 1.00 0.00 C ATOM 503 CG GLN A 32 -2.611 -3.915 13.477 1.00 0.00 C ATOM 504 CD GLN A 32 -3.535 -2.884 14.128 1.00 0.00 C ATOM 505 OE1 GLN A 32 -3.976 -1.929 13.510 1.00 0.00 O ATOM 506 NE2 GLN A 32 -3.803 -3.130 15.408 1.00 0.00 N ATOM 0 H GLN A 32 -3.801 -7.877 12.406 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.042 -5.244 11.285 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.363 -5.171 13.501 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.952 -5.904 14.236 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.686 -3.991 14.048 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.340 -3.584 12.474 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.401 -3.948 15.865 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.411 -2.500 15.932 1.00 0.00 H new ATOM 515 N ALA A 33 -0.624 -5.728 11.544 1.00 0.00 N ATOM 516 CA ALA A 33 0.776 -6.116 11.480 1.00 0.00 C ATOM 517 C ALA A 33 1.643 -4.860 11.371 1.00 0.00 C ATOM 518 O ALA A 33 1.276 -3.905 10.690 1.00 0.00 O ATOM 519 CB ALA A 33 0.987 -7.076 10.308 1.00 0.00 C ATOM 0 H ALA A 33 -0.832 -4.812 11.146 1.00 0.00 H new ATOM 0 HA ALA A 33 1.071 -6.642 12.388 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.036 -7.367 10.260 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.371 -7.964 10.449 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.704 -6.583 9.378 1.00 0.00 H new ATOM 525 N ASP A 34 2.780 -4.904 12.051 1.00 0.00 N ATOM 526 CA ASP A 34 3.702 -3.782 12.039 1.00 0.00 C ATOM 527 C ASP A 34 3.984 -3.374 10.591 1.00 0.00 C ATOM 528 O ASP A 34 3.797 -2.216 10.221 1.00 0.00 O ATOM 529 CB ASP A 34 5.035 -4.158 12.691 1.00 0.00 C ATOM 530 CG ASP A 34 5.814 -2.985 13.290 1.00 0.00 C ATOM 531 OD1 ASP A 34 6.202 -2.046 12.579 1.00 0.00 O ATOM 532 OD2 ASP A 34 6.025 -3.064 14.560 1.00 0.00 O ATOM 0 H ASP A 34 3.083 -5.699 12.613 1.00 0.00 H new ATOM 0 HA ASP A 34 3.245 -2.964 12.596 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.845 -4.888 13.478 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.661 -4.648 11.946 1.00 0.00 H new ATOM 537 N GLY A 35 4.427 -4.349 9.811 1.00 0.00 N ATOM 538 CA GLY A 35 4.735 -4.105 8.412 1.00 0.00 C ATOM 539 C GLY A 35 3.496 -4.299 7.535 1.00 0.00 C ATOM 540 O GLY A 35 3.610 -4.650 6.362 1.00 0.00 O ATOM 0 H GLY A 35 4.580 -5.309 10.121 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.115 -3.091 8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.525 -4.782 8.087 1.00 0.00 H new ATOM 544 N LEU A 36 2.341 -4.062 8.139 1.00 0.00 N ATOM 545 CA LEU A 36 1.081 -4.205 7.429 1.00 0.00 C ATOM 546 C LEU A 36 0.295 -2.896 7.525 1.00 0.00 C ATOM 547 O LEU A 36 0.176 -2.318 8.605 1.00 0.00 O ATOM 548 CB LEU A 36 0.313 -5.424 7.942 1.00 0.00 C ATOM 549 CG LEU A 36 -0.911 -5.837 7.124 1.00 0.00 C ATOM 550 CD1 LEU A 36 -0.815 -7.302 6.694 1.00 0.00 C ATOM 551 CD2 LEU A 36 -2.205 -5.550 7.889 1.00 0.00 C ATOM 0 H LEU A 36 2.251 -3.772 9.113 1.00 0.00 H new ATOM 0 HA LEU A 36 1.259 -4.392 6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.999 -6.270 7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.008 -5.223 8.964 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.932 -5.235 6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.698 -7.570 6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.077 -7.444 6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.755 -7.937 7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.060 -5.853 7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.206 -6.109 8.825 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.272 -4.483 8.103 1.00 0.00 H new ATOM 563 N VAL A 37 -0.222 -2.467 6.384 1.00 0.00 N ATOM 564 CA VAL A 37 -0.995 -1.239 6.326 1.00 0.00 C ATOM 565 C VAL A 37 -2.215 -1.449 5.428 1.00 0.00 C ATOM 566 O VAL A 37 -2.083 -1.553 4.209 1.00 0.00 O ATOM 567 CB VAL A 37 -0.105 -0.082 5.864 1.00 0.00 C ATOM 568 CG1 VAL A 37 -0.948 1.097 5.375 1.00 0.00 C ATOM 569 CG2 VAL A 37 0.853 0.350 6.976 1.00 0.00 C ATOM 0 H VAL A 37 -0.120 -2.949 5.491 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.364 -0.974 7.317 1.00 0.00 H new ATOM 0 HB VAL A 37 0.495 -0.434 5.025 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.291 1.905 5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.569 0.778 4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.586 1.449 6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.474 1.173 6.622 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.280 0.675 7.844 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.489 -0.490 7.255 1.00 0.00 H new ATOM 579 N TRP A 38 -3.375 -1.507 6.064 1.00 0.00 N ATOM 580 CA TRP A 38 -4.619 -1.704 5.337 1.00 0.00 C ATOM 581 C TRP A 38 -4.961 -0.394 4.623 1.00 0.00 C ATOM 582 O TRP A 38 -4.964 0.670 5.239 1.00 0.00 O ATOM 583 CB TRP A 38 -5.731 -2.183 6.273 1.00 0.00 C ATOM 584 CG TRP A 38 -5.658 -3.674 6.613 1.00 0.00 C ATOM 585 CD1 TRP A 38 -5.548 -4.239 7.822 1.00 0.00 C ATOM 586 CD2 TRP A 38 -5.696 -4.771 5.677 1.00 0.00 C ATOM 587 NE1 TRP A 38 -5.512 -5.616 7.735 1.00 0.00 N ATOM 588 CE2 TRP A 38 -5.605 -5.950 6.389 1.00 0.00 C ATOM 589 CE3 TRP A 38 -5.803 -4.769 4.275 1.00 0.00 C ATOM 590 CZ2 TRP A 38 -5.612 -7.213 5.785 1.00 0.00 C ATOM 591 CZ3 TRP A 38 -5.809 -6.039 3.686 1.00 0.00 C ATOM 592 CH2 TRP A 38 -5.718 -7.236 4.389 1.00 0.00 C ATOM 0 H TRP A 38 -3.481 -1.421 7.075 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.509 -2.490 4.590 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.687 -1.607 7.197 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.696 -1.973 5.812 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.494 -3.687 8.749 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.432 -6.268 8.515 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.875 -3.859 3.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.540 -8.121 6.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.890 -6.093 2.610 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.729 -8.178 3.861 1.00 0.00 H new ATOM 603 N GLY A 39 -5.242 -0.517 3.334 1.00 0.00 N ATOM 604 CA GLY A 39 -5.585 0.643 2.530 1.00 0.00 C ATOM 605 C GLY A 39 -7.102 0.806 2.421 1.00 0.00 C ATOM 606 O GLY A 39 -7.654 1.818 2.850 1.00 0.00 O ATOM 0 H GLY A 39 -5.239 -1.402 2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.150 1.539 2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.154 0.540 1.534 1.00 0.00 H new ATOM 610 N SER A 40 -7.733 -0.206 1.844 1.00 0.00 N ATOM 611 CA SER A 40 -9.176 -0.189 1.673 1.00 0.00 C ATOM 612 C SER A 40 -9.611 -1.344 0.770 1.00 0.00 C ATOM 613 O SER A 40 -9.015 -1.572 -0.281 1.00 0.00 O ATOM 614 CB SER A 40 -9.646 1.145 1.089 1.00 0.00 C ATOM 615 OG SER A 40 -10.613 1.781 1.921 1.00 0.00 O ATOM 0 H SER A 40 -7.271 -1.043 1.489 1.00 0.00 H new ATOM 0 HA SER A 40 -9.637 -0.309 2.654 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.789 1.806 0.959 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.073 0.978 0.100 1.00 0.00 H new ATOM 0 HG SER A 40 -10.886 2.630 1.515 1.00 0.00 H new ATOM 621 N SER A 41 -10.645 -2.043 1.215 1.00 0.00 N ATOM 622 CA SER A 41 -11.166 -3.171 0.460 1.00 0.00 C ATOM 623 C SER A 41 -12.209 -2.687 -0.551 1.00 0.00 C ATOM 624 O SER A 41 -12.711 -1.570 -0.442 1.00 0.00 O ATOM 625 CB SER A 41 -11.775 -4.222 1.389 1.00 0.00 C ATOM 626 OG SER A 41 -12.979 -3.763 1.998 1.00 0.00 O ATOM 0 H SER A 41 -11.136 -1.851 2.088 1.00 0.00 H new ATOM 0 HA SER A 41 -10.338 -3.636 -0.076 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.979 -5.131 0.824 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.054 -4.483 2.163 1.00 0.00 H new ATOM 0 HG SER A 41 -12.825 -3.613 2.954 1.00 0.00 H new ATOM 632 N LYS A 42 -12.502 -3.553 -1.510 1.00 0.00 N ATOM 633 CA LYS A 42 -13.476 -3.228 -2.538 1.00 0.00 C ATOM 634 C LYS A 42 -14.436 -4.406 -2.716 1.00 0.00 C ATOM 635 O LYS A 42 -14.136 -5.523 -2.298 1.00 0.00 O ATOM 636 CB LYS A 42 -12.771 -2.808 -3.830 1.00 0.00 C ATOM 637 CG LYS A 42 -11.469 -3.588 -4.023 1.00 0.00 C ATOM 638 CD LYS A 42 -10.996 -3.514 -5.476 1.00 0.00 C ATOM 639 CE LYS A 42 -11.873 -4.380 -6.383 1.00 0.00 C ATOM 640 NZ LYS A 42 -11.514 -4.171 -7.803 1.00 0.00 N ATOM 0 H LYS A 42 -12.082 -4.479 -1.597 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.077 -2.370 -2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.431 -2.979 -4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.558 -1.739 -3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.699 -3.185 -3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.619 -4.629 -3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.022 -2.480 -5.819 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.960 -3.845 -5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.750 -5.431 -6.122 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.923 -4.133 -6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.118 -4.766 -8.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.654 -3.171 -8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.517 -4.429 -7.951 1.00 0.00 H new ATOM 654 N LEU A 43 -15.569 -4.115 -3.339 1.00 0.00 N ATOM 655 CA LEU A 43 -16.574 -5.137 -3.577 1.00 0.00 C ATOM 656 C LEU A 43 -16.845 -5.238 -5.079 1.00 0.00 C ATOM 657 O LEU A 43 -16.751 -4.244 -5.799 1.00 0.00 O ATOM 658 CB LEU A 43 -17.828 -4.862 -2.743 1.00 0.00 C ATOM 659 CG LEU A 43 -17.911 -5.587 -1.398 1.00 0.00 C ATOM 660 CD1 LEU A 43 -17.648 -7.085 -1.566 1.00 0.00 C ATOM 661 CD2 LEU A 43 -16.971 -4.951 -0.373 1.00 0.00 C ATOM 0 H LEU A 43 -15.813 -3.187 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.211 -6.112 -3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.890 -3.789 -2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -18.701 -5.135 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 43 -18.925 -5.479 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.713 -7.577 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.391 -7.512 -2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.652 -7.235 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -17.050 -5.485 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.945 -5.006 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -17.247 -3.907 -0.224 1.00 0.00 H new ATOM 673 N VAL A 44 -17.178 -6.446 -5.508 1.00 0.00 N ATOM 674 CA VAL A 44 -17.463 -6.690 -6.912 1.00 0.00 C ATOM 675 C VAL A 44 -18.572 -7.738 -7.028 1.00 0.00 C ATOM 676 O VAL A 44 -18.322 -8.932 -6.875 1.00 0.00 O ATOM 677 CB VAL A 44 -16.181 -7.094 -7.644 1.00 0.00 C ATOM 678 CG1 VAL A 44 -16.497 -7.962 -8.864 1.00 0.00 C ATOM 679 CG2 VAL A 44 -15.368 -5.861 -8.045 1.00 0.00 C ATOM 0 H VAL A 44 -17.257 -7.267 -4.908 1.00 0.00 H new ATOM 0 HA VAL A 44 -17.823 -5.780 -7.392 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.576 -7.687 -6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -15.569 -8.235 -9.366 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -17.016 -8.865 -8.543 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -17.132 -7.404 -9.553 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.462 -6.175 -8.563 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -15.964 -5.231 -8.705 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -15.098 -5.297 -7.152 1.00 0.00 H new ATOM 689 N PRO A 45 -19.806 -7.238 -7.306 1.00 0.00 N ATOM 690 CA PRO A 45 -20.956 -8.118 -7.444 1.00 0.00 C ATOM 691 C PRO A 45 -20.918 -8.863 -8.780 1.00 0.00 C ATOM 692 O PRO A 45 -20.464 -8.319 -9.786 1.00 0.00 O ATOM 693 CB PRO A 45 -22.166 -7.208 -7.304 1.00 0.00 C ATOM 694 CG PRO A 45 -21.658 -5.798 -7.558 1.00 0.00 C ATOM 695 CD PRO A 45 -20.140 -5.830 -7.494 1.00 0.00 C ATOM 0 HA PRO A 45 -20.978 -8.905 -6.690 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -22.943 -7.478 -8.019 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -22.605 -7.292 -6.310 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -21.991 -5.442 -8.533 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.057 -5.109 -6.814 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -19.697 -5.437 -8.409 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -19.766 -5.221 -6.671 1.00 0.00 H new ATOM 703 N VAL A 46 -21.400 -10.096 -8.747 1.00 0.00 N ATOM 704 CA VAL A 46 -21.428 -10.922 -9.942 1.00 0.00 C ATOM 705 C VAL A 46 -22.812 -10.827 -10.590 1.00 0.00 C ATOM 706 O VAL A 46 -22.965 -10.219 -11.647 1.00 0.00 O ATOM 707 CB VAL A 46 -21.026 -12.357 -9.598 1.00 0.00 C ATOM 708 CG1 VAL A 46 -21.416 -13.320 -10.720 1.00 0.00 C ATOM 709 CG2 VAL A 46 -19.530 -12.448 -9.290 1.00 0.00 C ATOM 0 H VAL A 46 -21.775 -10.544 -7.911 1.00 0.00 H new ATOM 0 HA VAL A 46 -20.702 -10.563 -10.671 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.571 -12.652 -8.701 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -21.119 -14.333 -10.450 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -22.495 -13.286 -10.870 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -20.913 -13.028 -11.642 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -19.270 -13.479 -9.049 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -18.959 -12.124 -10.160 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -19.294 -11.806 -8.441 1.00 0.00 H new ATOM 719 N GLY A 47 -23.783 -11.439 -9.928 1.00 0.00 N ATOM 720 CA GLY A 47 -25.147 -11.432 -10.425 1.00 0.00 C ATOM 721 C GLY A 47 -26.078 -10.694 -9.462 1.00 0.00 C ATOM 722 O GLY A 47 -26.413 -9.532 -9.685 1.00 0.00 O ATOM 0 H GLY A 47 -23.651 -11.943 -9.051 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -25.178 -10.954 -11.404 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -25.494 -12.457 -10.559 1.00 0.00 H new ATOM 726 N TYR A 48 -26.470 -11.400 -8.411 1.00 0.00 N ATOM 727 CA TYR A 48 -27.356 -10.826 -7.413 1.00 0.00 C ATOM 728 C TYR A 48 -27.495 -11.754 -6.205 1.00 0.00 C ATOM 729 O TYR A 48 -28.459 -12.512 -6.106 1.00 0.00 O ATOM 730 CB TYR A 48 -28.721 -10.684 -8.091 1.00 0.00 C ATOM 731 CG TYR A 48 -29.828 -10.181 -7.163 1.00 0.00 C ATOM 732 CD1 TYR A 48 -29.967 -8.829 -6.925 1.00 0.00 C ATOM 733 CD2 TYR A 48 -30.688 -11.078 -6.563 1.00 0.00 C ATOM 734 CE1 TYR A 48 -31.009 -8.354 -6.052 1.00 0.00 C ATOM 735 CE2 TYR A 48 -31.729 -10.605 -5.690 1.00 0.00 C ATOM 736 CZ TYR A 48 -31.839 -9.266 -5.478 1.00 0.00 C ATOM 737 OH TYR A 48 -32.823 -8.817 -4.653 1.00 0.00 O ATOM 0 H TYR A 48 -26.190 -12.364 -8.229 1.00 0.00 H new ATOM 0 HA TYR A 48 -26.965 -9.873 -7.056 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -28.627 -9.998 -8.933 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -29.015 -11.651 -8.499 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -29.294 -8.127 -7.394 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -30.579 -12.136 -6.749 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -31.129 -7.298 -5.858 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -32.408 -11.297 -5.214 1.00 0.00 H new ATOM 0 HH TYR A 48 -33.340 -9.578 -4.315 1.00 0.00 H new ATOM 747 N GLY A 49 -26.516 -11.665 -5.315 1.00 0.00 N ATOM 748 CA GLY A 49 -26.517 -12.487 -4.118 1.00 0.00 C ATOM 749 C GLY A 49 -25.100 -12.649 -3.563 1.00 0.00 C ATOM 750 O GLY A 49 -24.888 -12.552 -2.355 1.00 0.00 O ATOM 0 H GLY A 49 -25.718 -11.036 -5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -27.158 -12.034 -3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -26.936 -13.467 -4.346 1.00 0.00 H new ATOM 754 N ILE A 50 -24.167 -12.891 -4.472 1.00 0.00 N ATOM 755 CA ILE A 50 -22.776 -13.066 -4.088 1.00 0.00 C ATOM 756 C ILE A 50 -21.945 -11.918 -4.664 1.00 0.00 C ATOM 757 O ILE A 50 -22.312 -11.328 -5.679 1.00 0.00 O ATOM 758 CB ILE A 50 -22.278 -14.452 -4.499 1.00 0.00 C ATOM 759 CG1 ILE A 50 -23.051 -15.552 -3.768 1.00 0.00 C ATOM 760 CG2 ILE A 50 -20.768 -14.577 -4.290 1.00 0.00 C ATOM 761 CD1 ILE A 50 -24.261 -16.009 -4.586 1.00 0.00 C ATOM 0 H ILE A 50 -24.347 -12.970 -5.473 1.00 0.00 H new ATOM 0 HA ILE A 50 -22.671 -13.024 -3.004 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.467 -14.580 -5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -22.393 -16.401 -3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -23.382 -15.185 -2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.440 -15.572 -4.590 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -20.254 -13.829 -4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.532 -14.419 -3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -24.792 -16.791 -4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -24.929 -15.164 -4.751 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -23.925 -16.398 -5.547 1.00 0.00 H new ATOM 773 N LYS A 51 -20.839 -11.636 -3.991 1.00 0.00 N ATOM 774 CA LYS A 51 -19.952 -10.568 -4.423 1.00 0.00 C ATOM 775 C LYS A 51 -18.501 -11.037 -4.301 1.00 0.00 C ATOM 776 O LYS A 51 -18.229 -12.081 -3.709 1.00 0.00 O ATOM 777 CB LYS A 51 -20.249 -9.280 -3.652 1.00 0.00 C ATOM 778 CG LYS A 51 -21.562 -8.650 -4.123 1.00 0.00 C ATOM 779 CD LYS A 51 -22.441 -8.263 -2.931 1.00 0.00 C ATOM 780 CE LYS A 51 -23.120 -6.912 -3.168 1.00 0.00 C ATOM 781 NZ LYS A 51 -24.328 -6.784 -2.323 1.00 0.00 N ATOM 0 H LYS A 51 -20.537 -12.128 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.124 -10.330 -5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.307 -9.496 -2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.432 -8.572 -3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.351 -7.767 -4.726 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.098 -9.352 -4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.197 -9.031 -2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.834 -8.216 -2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.424 -6.104 -2.943 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.392 -6.814 -4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.777 -5.862 -2.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.998 -7.544 -2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.060 -6.856 -1.321 1.00 0.00 H new ATOM 795 N LYS A 52 -17.606 -10.242 -4.869 1.00 0.00 N ATOM 796 CA LYS A 52 -16.190 -10.563 -4.832 1.00 0.00 C ATOM 797 C LYS A 52 -15.587 -10.040 -3.527 1.00 0.00 C ATOM 798 O LYS A 52 -15.713 -8.858 -3.209 1.00 0.00 O ATOM 799 CB LYS A 52 -15.488 -10.038 -6.086 1.00 0.00 C ATOM 800 CG LYS A 52 -14.782 -11.170 -6.834 1.00 0.00 C ATOM 801 CD LYS A 52 -14.184 -10.668 -8.150 1.00 0.00 C ATOM 802 CE LYS A 52 -14.649 -11.530 -9.326 1.00 0.00 C ATOM 803 NZ LYS A 52 -13.517 -11.817 -10.237 1.00 0.00 N ATOM 0 H LYS A 52 -17.834 -9.376 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.045 -11.643 -4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.217 -9.562 -6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.763 -9.273 -5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.994 -11.588 -6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.489 -11.974 -7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.478 -9.631 -8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.096 -10.685 -8.089 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.071 -12.464 -8.955 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.441 -11.016 -9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.849 -12.403 -11.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.132 -10.924 -10.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.774 -12.327 -9.718 1.00 0.00 H new ATOM 817 N LEU A 53 -14.946 -10.946 -2.803 1.00 0.00 N ATOM 818 CA LEU A 53 -14.324 -10.592 -1.538 1.00 0.00 C ATOM 819 C LEU A 53 -12.896 -10.108 -1.796 1.00 0.00 C ATOM 820 O LEU A 53 -11.933 -10.796 -1.457 1.00 0.00 O ATOM 821 CB LEU A 53 -14.410 -11.759 -0.553 1.00 0.00 C ATOM 822 CG LEU A 53 -14.754 -11.393 0.892 1.00 0.00 C ATOM 823 CD1 LEU A 53 -13.527 -10.851 1.628 1.00 0.00 C ATOM 824 CD2 LEU A 53 -15.931 -10.416 0.945 1.00 0.00 C ATOM 0 H LEU A 53 -14.844 -11.926 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.860 -9.768 -1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.160 -12.461 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.454 -12.283 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 53 -15.065 -12.301 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.799 -10.599 2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.744 -11.609 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.162 -9.959 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.155 -10.172 1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.672 -9.505 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.805 -10.874 0.483 1.00 0.00 H new ATOM 836 N GLN A 54 -12.802 -8.929 -2.392 1.00 0.00 N ATOM 837 CA GLN A 54 -11.507 -8.345 -2.699 1.00 0.00 C ATOM 838 C GLN A 54 -11.093 -7.365 -1.600 1.00 0.00 C ATOM 839 O GLN A 54 -11.943 -6.732 -0.976 1.00 0.00 O ATOM 840 CB GLN A 54 -11.525 -7.660 -4.067 1.00 0.00 C ATOM 841 CG GLN A 54 -10.776 -8.494 -5.108 1.00 0.00 C ATOM 842 CD GLN A 54 -11.185 -8.096 -6.527 1.00 0.00 C ATOM 843 OE1 GLN A 54 -12.349 -8.106 -6.892 1.00 0.00 O ATOM 844 NE2 GLN A 54 -10.164 -7.743 -7.305 1.00 0.00 N ATOM 0 H GLN A 54 -13.602 -8.361 -2.671 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.769 -9.146 -2.741 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.556 -7.510 -4.389 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -11.069 -6.673 -3.990 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.702 -8.358 -4.984 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.984 -9.552 -4.949 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.213 -7.757 -6.936 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.333 -7.459 -8.270 1.00 0.00 H new ATOM 853 N ILE A 55 -9.787 -7.272 -1.396 1.00 0.00 N ATOM 854 CA ILE A 55 -9.250 -6.379 -0.383 1.00 0.00 C ATOM 855 C ILE A 55 -7.827 -5.974 -0.770 1.00 0.00 C ATOM 856 O ILE A 55 -7.103 -6.750 -1.391 1.00 0.00 O ATOM 857 CB ILE A 55 -9.352 -7.019 1.003 1.00 0.00 C ATOM 858 CG1 ILE A 55 -8.002 -7.591 1.443 1.00 0.00 C ATOM 859 CG2 ILE A 55 -10.461 -8.073 1.040 1.00 0.00 C ATOM 860 CD1 ILE A 55 -7.652 -8.848 0.643 1.00 0.00 C ATOM 0 H ILE A 55 -9.085 -7.800 -1.915 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.839 -5.464 -0.330 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.622 -6.243 1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.223 -6.841 1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.033 -7.829 2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.512 -8.512 2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.416 -7.605 0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.246 -8.853 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.688 -9.234 0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.420 -9.605 0.800 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.598 -8.601 -0.417 1.00 0.00 H new ATOM 872 N GLN A 56 -7.467 -4.758 -0.387 1.00 0.00 N ATOM 873 CA GLN A 56 -6.143 -4.240 -0.686 1.00 0.00 C ATOM 874 C GLN A 56 -5.428 -3.833 0.604 1.00 0.00 C ATOM 875 O GLN A 56 -6.064 -3.376 1.553 1.00 0.00 O ATOM 876 CB GLN A 56 -6.222 -3.064 -1.662 1.00 0.00 C ATOM 877 CG GLN A 56 -4.843 -2.736 -2.237 1.00 0.00 C ATOM 878 CD GLN A 56 -4.967 -1.992 -3.569 1.00 0.00 C ATOM 879 OE1 GLN A 56 -5.924 -1.280 -3.824 1.00 0.00 O ATOM 880 NE2 GLN A 56 -3.949 -2.196 -4.400 1.00 0.00 N ATOM 0 H GLN A 56 -8.070 -4.116 0.128 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.565 -5.030 -1.165 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.910 -3.305 -2.472 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.625 -2.189 -1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.284 -2.127 -1.527 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.277 -3.656 -2.382 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.179 -2.805 -4.123 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.938 -1.744 -5.314 1.00 0.00 H new ATOM 889 N CYS A 57 -4.116 -4.014 0.599 1.00 0.00 N ATOM 890 CA CYS A 57 -3.308 -3.672 1.757 1.00 0.00 C ATOM 891 C CYS A 57 -2.097 -2.870 1.277 1.00 0.00 C ATOM 892 O CYS A 57 -2.071 -2.397 0.143 1.00 0.00 O ATOM 893 CB CYS A 57 -2.892 -4.917 2.545 1.00 0.00 C ATOM 894 SG CYS A 57 -2.871 -4.544 4.337 1.00 0.00 S ATOM 0 H CYS A 57 -3.592 -4.393 -0.189 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.895 -3.065 2.447 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.585 -5.734 2.343 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.905 -5.249 2.222 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.077 -4.636 4.814 1.00 0.00 H new ATOM 900 N VAL A 58 -1.122 -2.742 2.167 1.00 0.00 N ATOM 901 CA VAL A 58 0.089 -2.005 1.848 1.00 0.00 C ATOM 902 C VAL A 58 1.261 -2.595 2.635 1.00 0.00 C ATOM 903 O VAL A 58 1.792 -1.953 3.540 1.00 0.00 O ATOM 904 CB VAL A 58 -0.120 -0.513 2.117 1.00 0.00 C ATOM 905 CG1 VAL A 58 1.122 0.293 1.732 1.00 0.00 C ATOM 906 CG2 VAL A 58 -1.360 0.007 1.387 1.00 0.00 C ATOM 0 H VAL A 58 -1.147 -3.136 3.107 1.00 0.00 H new ATOM 0 HA VAL A 58 0.327 -2.101 0.789 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.283 -0.385 3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.947 1.350 1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.975 -0.051 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.331 0.155 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.486 1.070 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.239 -0.141 0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.240 -0.537 1.731 1.00 0.00 H new ATOM 916 N VAL A 59 1.631 -3.811 2.260 1.00 0.00 N ATOM 917 CA VAL A 59 2.731 -4.495 2.918 1.00 0.00 C ATOM 918 C VAL A 59 4.052 -4.054 2.287 1.00 0.00 C ATOM 919 O VAL A 59 4.057 -3.317 1.300 1.00 0.00 O ATOM 920 CB VAL A 59 2.517 -6.009 2.859 1.00 0.00 C ATOM 921 CG1 VAL A 59 1.085 -6.375 3.257 1.00 0.00 C ATOM 922 CG2 VAL A 59 2.858 -6.557 1.472 1.00 0.00 C ATOM 0 H VAL A 59 1.188 -4.340 1.509 1.00 0.00 H new ATOM 0 HA VAL A 59 2.770 -4.226 3.974 1.00 0.00 H new ATOM 0 HB VAL A 59 3.194 -6.472 3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.959 -7.456 3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.892 -6.034 4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.384 -5.896 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.697 -7.635 1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.218 -6.084 0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.902 -6.343 1.243 1.00 0.00 H new ATOM 932 N GLU A 60 5.141 -4.521 2.879 1.00 0.00 N ATOM 933 CA GLU A 60 6.465 -4.183 2.387 1.00 0.00 C ATOM 934 C GLU A 60 6.869 -5.132 1.256 1.00 0.00 C ATOM 935 O GLU A 60 6.176 -6.112 0.987 1.00 0.00 O ATOM 936 CB GLU A 60 7.495 -4.210 3.519 1.00 0.00 C ATOM 937 CG GLU A 60 8.150 -2.839 3.697 1.00 0.00 C ATOM 938 CD GLU A 60 9.182 -2.577 2.598 1.00 0.00 C ATOM 939 OE1 GLU A 60 9.708 -3.528 2.002 1.00 0.00 O ATOM 940 OE2 GLU A 60 9.430 -1.332 2.369 1.00 0.00 O ATOM 0 H GLU A 60 5.133 -5.132 3.696 1.00 0.00 H new ATOM 0 HA GLU A 60 6.436 -3.168 1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.011 -4.509 4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.259 -4.957 3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.386 -2.062 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.632 -2.786 4.673 1.00 0.00 H new ATOM 947 N ASP A 61 7.987 -4.807 0.624 1.00 0.00 N ATOM 948 CA ASP A 61 8.490 -5.617 -0.472 1.00 0.00 C ATOM 949 C ASP A 61 9.731 -6.382 -0.005 1.00 0.00 C ATOM 950 O ASP A 61 10.379 -7.063 -0.799 1.00 0.00 O ATOM 951 CB ASP A 61 8.893 -4.745 -1.662 1.00 0.00 C ATOM 952 CG ASP A 61 8.649 -5.374 -3.035 1.00 0.00 C ATOM 953 OD1 ASP A 61 7.515 -5.401 -3.534 1.00 0.00 O ATOM 954 OD2 ASP A 61 9.701 -5.857 -3.607 1.00 0.00 O ATOM 0 H ASP A 61 8.559 -3.993 0.850 1.00 0.00 H new ATOM 0 HA ASP A 61 7.698 -6.300 -0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.344 -3.805 -1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.952 -4.502 -1.573 1.00 0.00 H new ATOM 959 N ASP A 62 10.024 -6.245 1.279 1.00 0.00 N ATOM 960 CA ASP A 62 11.174 -6.915 1.860 1.00 0.00 C ATOM 961 C ASP A 62 10.952 -7.090 3.364 1.00 0.00 C ATOM 962 O ASP A 62 11.910 -7.189 4.129 1.00 0.00 O ATOM 963 CB ASP A 62 12.448 -6.092 1.663 1.00 0.00 C ATOM 964 CG ASP A 62 13.755 -6.869 1.834 1.00 0.00 C ATOM 965 OD1 ASP A 62 14.177 -7.612 0.936 1.00 0.00 O ATOM 966 OD2 ASP A 62 14.355 -6.688 2.962 1.00 0.00 O ATOM 0 H ASP A 62 9.484 -5.679 1.934 1.00 0.00 H new ATOM 0 HA ASP A 62 11.287 -7.880 1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.430 -5.657 0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.440 -5.264 2.372 1.00 0.00 H new ATOM 971 N LYS A 63 9.683 -7.124 3.742 1.00 0.00 N ATOM 972 CA LYS A 63 9.322 -7.285 5.140 1.00 0.00 C ATOM 973 C LYS A 63 8.384 -8.484 5.286 1.00 0.00 C ATOM 974 O LYS A 63 8.805 -9.559 5.711 1.00 0.00 O ATOM 975 CB LYS A 63 8.746 -5.983 5.699 1.00 0.00 C ATOM 976 CG LYS A 63 9.150 -5.788 7.162 1.00 0.00 C ATOM 977 CD LYS A 63 10.218 -4.701 7.296 1.00 0.00 C ATOM 978 CE LYS A 63 11.066 -4.919 8.552 1.00 0.00 C ATOM 979 NZ LYS A 63 10.342 -4.453 9.754 1.00 0.00 N ATOM 0 H LYS A 63 8.891 -7.043 3.104 1.00 0.00 H new ATOM 0 HA LYS A 63 10.208 -7.498 5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.100 -5.140 5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.659 -5.997 5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.274 -5.517 7.752 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.529 -6.727 7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.859 -4.705 6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.742 -3.721 7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.309 -5.977 8.654 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.010 -4.382 8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.932 -4.608 10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.131 -3.439 9.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.453 -4.984 9.851 1.00 0.00 H new ATOM 993 N VAL A 64 7.129 -8.261 4.923 1.00 0.00 N ATOM 994 CA VAL A 64 6.127 -9.310 5.007 1.00 0.00 C ATOM 995 C VAL A 64 5.501 -9.523 3.628 1.00 0.00 C ATOM 996 O VAL A 64 5.667 -8.697 2.732 1.00 0.00 O ATOM 997 CB VAL A 64 5.097 -8.965 6.085 1.00 0.00 C ATOM 998 CG1 VAL A 64 4.110 -7.910 5.582 1.00 0.00 C ATOM 999 CG2 VAL A 64 4.363 -10.219 6.563 1.00 0.00 C ATOM 0 H VAL A 64 6.783 -7.369 4.570 1.00 0.00 H new ATOM 0 HA VAL A 64 6.585 -10.253 5.305 1.00 0.00 H new ATOM 0 HB VAL A 64 5.631 -8.545 6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.389 -7.683 6.367 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.652 -7.003 5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.585 -8.291 4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.637 -9.946 7.329 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.847 -10.681 5.722 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.082 -10.925 6.980 1.00 0.00 H new ATOM 1009 N GLY A 65 4.794 -10.636 3.500 1.00 0.00 N ATOM 1010 CA GLY A 65 4.142 -10.969 2.245 1.00 0.00 C ATOM 1011 C GLY A 65 2.761 -11.583 2.490 1.00 0.00 C ATOM 1012 O GLY A 65 2.331 -11.713 3.634 1.00 0.00 O ATOM 0 H GLY A 65 4.658 -11.319 4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.042 -10.072 1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.761 -11.669 1.684 1.00 0.00 H new ATOM 1016 N THR A 66 2.108 -11.945 1.395 1.00 0.00 N ATOM 1017 CA THR A 66 0.786 -12.542 1.477 1.00 0.00 C ATOM 1018 C THR A 66 0.886 -13.997 1.939 1.00 0.00 C ATOM 1019 O THR A 66 0.407 -14.902 1.259 1.00 0.00 O ATOM 1020 CB THR A 66 0.110 -12.383 0.113 1.00 0.00 C ATOM 1021 OG1 THR A 66 -0.121 -10.981 0.002 1.00 0.00 O ATOM 1022 CG2 THR A 66 -1.292 -12.995 0.079 1.00 0.00 C ATOM 0 H THR A 66 2.470 -11.836 0.447 1.00 0.00 H new ATOM 0 HA THR A 66 0.170 -12.038 2.222 1.00 0.00 H new ATOM 0 HB THR A 66 0.728 -12.849 -0.655 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.548 -10.585 -0.595 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.726 -12.855 -0.911 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.229 -14.061 0.300 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.920 -12.506 0.824 1.00 0.00 H new ATOM 1030 N ASP A 67 1.510 -14.176 3.094 1.00 0.00 N ATOM 1031 CA ASP A 67 1.679 -15.505 3.655 1.00 0.00 C ATOM 1032 C ASP A 67 0.826 -15.632 4.919 1.00 0.00 C ATOM 1033 O ASP A 67 -0.133 -16.402 4.950 1.00 0.00 O ATOM 1034 CB ASP A 67 3.138 -15.758 4.041 1.00 0.00 C ATOM 1035 CG ASP A 67 3.967 -14.499 4.298 1.00 0.00 C ATOM 1036 OD1 ASP A 67 4.430 -13.926 3.239 1.00 0.00 O ATOM 1037 OD2 ASP A 67 4.161 -14.086 5.451 1.00 0.00 O ATOM 0 H ASP A 67 1.905 -13.422 3.657 1.00 0.00 H new ATOM 0 HA ASP A 67 1.374 -16.231 2.901 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.159 -16.377 4.938 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.614 -16.332 3.246 1.00 0.00 H new ATOM 1042 N MET A 68 1.206 -14.866 5.930 1.00 0.00 N ATOM 1043 CA MET A 68 0.489 -14.882 7.194 1.00 0.00 C ATOM 1044 C MET A 68 -0.963 -14.437 7.006 1.00 0.00 C ATOM 1045 O MET A 68 -1.874 -15.011 7.599 1.00 0.00 O ATOM 1046 CB MET A 68 1.183 -13.952 8.189 1.00 0.00 C ATOM 1047 CG MET A 68 1.273 -14.597 9.573 1.00 0.00 C ATOM 1048 SD MET A 68 -0.356 -15.062 10.136 1.00 0.00 S ATOM 1049 CE MET A 68 -1.094 -13.447 10.315 1.00 0.00 C ATOM 0 H MET A 68 2.002 -14.229 5.900 1.00 0.00 H new ATOM 0 HA MET A 68 0.491 -15.902 7.577 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.184 -13.712 7.830 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.635 -13.012 8.257 1.00 0.00 H new ATOM 0 HG2 MET A 68 1.917 -15.475 9.533 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.726 -13.901 10.279 1.00 0.00 H new ATOM 0 HE1 MET A 68 -1.434 -13.314 11.342 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.356 -12.681 10.075 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.943 -13.358 9.638 1.00 0.00 H new ATOM 1059 N LEU A 69 -1.133 -13.418 6.176 1.00 0.00 N ATOM 1060 CA LEU A 69 -2.457 -12.889 5.902 1.00 0.00 C ATOM 1061 C LEU A 69 -3.344 -14.006 5.350 1.00 0.00 C ATOM 1062 O LEU A 69 -4.440 -14.242 5.856 1.00 0.00 O ATOM 1063 CB LEU A 69 -2.367 -11.666 4.986 1.00 0.00 C ATOM 1064 CG LEU A 69 -2.003 -10.345 5.666 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -1.994 -9.194 4.658 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -2.931 -10.063 6.849 1.00 0.00 C ATOM 0 H LEU A 69 -0.375 -12.945 5.684 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.923 -12.536 6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.627 -11.870 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.326 -11.541 4.484 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.992 -10.433 6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.732 -8.266 5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.261 -9.399 3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.983 -9.095 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.650 -9.118 7.314 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.961 -10.002 6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.844 -10.867 7.580 1.00 0.00 H new ATOM 1078 N GLU A 70 -2.838 -14.666 4.318 1.00 0.00 N ATOM 1079 CA GLU A 70 -3.570 -15.753 3.692 1.00 0.00 C ATOM 1080 C GLU A 70 -3.981 -16.790 4.739 1.00 0.00 C ATOM 1081 O GLU A 70 -5.162 -17.100 4.881 1.00 0.00 O ATOM 1082 CB GLU A 70 -2.745 -16.398 2.575 1.00 0.00 C ATOM 1083 CG GLU A 70 -3.564 -17.454 1.830 1.00 0.00 C ATOM 1084 CD GLU A 70 -2.662 -18.329 0.956 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -2.184 -17.874 -0.093 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -2.462 -19.523 1.402 1.00 0.00 O ATOM 0 H GLU A 70 -1.929 -14.468 3.900 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.474 -15.344 3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.411 -15.632 1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.851 -16.857 2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.098 -18.078 2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.316 -16.966 1.210 1.00 0.00 H new ATOM 1093 N GLU A 71 -2.981 -17.297 5.446 1.00 0.00 N ATOM 1094 CA GLU A 71 -3.224 -18.292 6.477 1.00 0.00 C ATOM 1095 C GLU A 71 -4.171 -17.735 7.541 1.00 0.00 C ATOM 1096 O GLU A 71 -4.705 -18.485 8.356 1.00 0.00 O ATOM 1097 CB GLU A 71 -1.909 -18.762 7.104 1.00 0.00 C ATOM 1098 CG GLU A 71 -1.052 -19.512 6.084 1.00 0.00 C ATOM 1099 CD GLU A 71 -1.208 -21.026 6.242 1.00 0.00 C ATOM 1100 OE1 GLU A 71 -0.478 -21.556 7.164 1.00 0.00 O ATOM 1101 OE2 GLU A 71 -1.993 -21.648 5.511 1.00 0.00 O ATOM 0 H GLU A 71 -2.002 -17.038 5.325 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.699 -19.158 6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.357 -17.903 7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.119 -19.410 7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.340 -19.217 5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.005 -19.236 6.210 1.00 0.00 H new ATOM 1108 N GLN A 72 -4.350 -16.423 7.498 1.00 0.00 N ATOM 1109 CA GLN A 72 -5.224 -15.756 8.449 1.00 0.00 C ATOM 1110 C GLN A 72 -6.617 -15.566 7.846 1.00 0.00 C ATOM 1111 O GLN A 72 -7.623 -15.848 8.497 1.00 0.00 O ATOM 1112 CB GLN A 72 -4.632 -14.418 8.893 1.00 0.00 C ATOM 1113 CG GLN A 72 -5.550 -13.717 9.897 1.00 0.00 C ATOM 1114 CD GLN A 72 -4.759 -13.215 11.106 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -3.612 -13.570 11.320 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -5.434 -12.372 11.882 1.00 0.00 N ATOM 0 H GLN A 72 -3.905 -15.804 6.820 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.315 -16.387 9.333 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.653 -14.581 9.343 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.481 -13.777 8.024 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.052 -12.879 9.413 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.327 -14.406 10.227 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.393 -12.116 11.645 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.993 -11.981 12.715 1.00 0.00 H new ATOM 1125 N ILE A 73 -6.633 -15.090 6.610 1.00 0.00 N ATOM 1126 CA ILE A 73 -7.886 -14.859 5.913 1.00 0.00 C ATOM 1127 C ILE A 73 -8.474 -16.201 5.472 1.00 0.00 C ATOM 1128 O ILE A 73 -9.604 -16.535 5.828 1.00 0.00 O ATOM 1129 CB ILE A 73 -7.686 -13.869 4.764 1.00 0.00 C ATOM 1130 CG1 ILE A 73 -6.902 -12.640 5.229 1.00 0.00 C ATOM 1131 CG2 ILE A 73 -9.025 -13.487 4.128 1.00 0.00 C ATOM 1132 CD1 ILE A 73 -6.028 -12.087 4.101 1.00 0.00 C ATOM 0 H ILE A 73 -5.797 -14.858 6.073 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.613 -14.395 6.580 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.091 -14.358 3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.594 -11.870 5.568 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.277 -12.904 6.082 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.853 -12.782 3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.511 -14.381 3.737 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.666 -13.025 4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.482 -11.214 4.459 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.320 -12.852 3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.658 -11.801 3.259 1.00 0.00 H new ATOM 1144 N THR A 74 -7.683 -16.934 4.703 1.00 0.00 N ATOM 1145 CA THR A 74 -8.110 -18.232 4.210 1.00 0.00 C ATOM 1146 C THR A 74 -8.233 -19.227 5.365 1.00 0.00 C ATOM 1147 O THR A 74 -8.739 -20.334 5.185 1.00 0.00 O ATOM 1148 CB THR A 74 -7.123 -18.676 3.129 1.00 0.00 C ATOM 1149 OG1 THR A 74 -5.971 -19.088 3.858 1.00 0.00 O ATOM 1150 CG2 THR A 74 -6.625 -17.508 2.275 1.00 0.00 C ATOM 0 H THR A 74 -6.748 -16.653 4.409 1.00 0.00 H new ATOM 0 HA THR A 74 -9.102 -18.177 3.762 1.00 0.00 H new ATOM 0 HB THR A 74 -7.598 -19.418 2.488 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.718 -18.386 4.493 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.927 -17.878 1.524 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.472 -17.032 1.781 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.121 -16.781 2.911 1.00 0.00 H new ATOM 1158 N ALA A 75 -7.763 -18.797 6.528 1.00 0.00 N ATOM 1159 CA ALA A 75 -7.814 -19.637 7.712 1.00 0.00 C ATOM 1160 C ALA A 75 -9.262 -20.058 7.971 1.00 0.00 C ATOM 1161 O ALA A 75 -9.510 -21.043 8.665 1.00 0.00 O ATOM 1162 CB ALA A 75 -7.205 -18.886 8.897 1.00 0.00 C ATOM 0 H ALA A 75 -7.345 -17.878 6.675 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.228 -20.544 7.565 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.243 -19.516 9.786 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.168 -18.635 8.674 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.769 -17.971 9.077 1.00 0.00 H new ATOM 1168 N PHE A 76 -10.179 -19.291 7.401 1.00 0.00 N ATOM 1169 CA PHE A 76 -11.595 -19.573 7.561 1.00 0.00 C ATOM 1170 C PHE A 76 -12.156 -20.284 6.328 1.00 0.00 C ATOM 1171 O PHE A 76 -12.595 -19.635 5.379 1.00 0.00 O ATOM 1172 CB PHE A 76 -12.303 -18.226 7.724 1.00 0.00 C ATOM 1173 CG PHE A 76 -12.728 -17.917 9.162 1.00 0.00 C ATOM 1174 CD1 PHE A 76 -13.426 -18.838 9.877 1.00 0.00 C ATOM 1175 CD2 PHE A 76 -12.406 -16.721 9.723 1.00 0.00 C ATOM 1176 CE1 PHE A 76 -13.820 -18.551 11.210 1.00 0.00 C ATOM 1177 CE2 PHE A 76 -12.800 -16.434 11.056 1.00 0.00 C ATOM 1178 CZ PHE A 76 -13.499 -17.355 11.772 1.00 0.00 C ATOM 0 H PHE A 76 -9.969 -18.474 6.827 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.750 -20.222 8.423 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.641 -17.434 7.373 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -13.185 -18.211 7.084 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.681 -19.788 9.431 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.851 -15.990 9.155 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -14.375 -19.283 11.778 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.545 -15.484 11.502 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.799 -17.137 12.786 1.00 0.00 H new ATOM 1188 N GLU A 77 -12.124 -21.607 6.381 1.00 0.00 N ATOM 1189 CA GLU A 77 -12.623 -22.414 5.281 1.00 0.00 C ATOM 1190 C GLU A 77 -14.152 -22.473 5.318 1.00 0.00 C ATOM 1191 O GLU A 77 -14.776 -23.034 4.419 1.00 0.00 O ATOM 1192 CB GLU A 77 -12.019 -23.819 5.313 1.00 0.00 C ATOM 1193 CG GLU A 77 -11.077 -24.038 4.127 1.00 0.00 C ATOM 1194 CD GLU A 77 -11.822 -24.654 2.941 1.00 0.00 C ATOM 1195 OE1 GLU A 77 -12.904 -25.232 3.121 1.00 0.00 O ATOM 1196 OE2 GLU A 77 -11.238 -24.514 1.799 1.00 0.00 O ATOM 0 H GLU A 77 -11.760 -22.141 7.170 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.319 -21.946 4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.474 -23.963 6.246 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.816 -24.562 5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.635 -23.087 3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.257 -24.692 4.425 1.00 0.00 H new ATOM 1203 N ASP A 78 -14.711 -21.886 6.366 1.00 0.00 N ATOM 1204 CA ASP A 78 -16.154 -21.865 6.532 1.00 0.00 C ATOM 1205 C ASP A 78 -16.703 -20.537 6.006 1.00 0.00 C ATOM 1206 O ASP A 78 -17.843 -20.175 6.295 1.00 0.00 O ATOM 1207 CB ASP A 78 -16.540 -21.986 8.007 1.00 0.00 C ATOM 1208 CG ASP A 78 -16.808 -23.413 8.490 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -16.810 -24.367 7.697 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -17.025 -23.528 9.757 1.00 0.00 O ATOM 0 H ASP A 78 -14.190 -21.421 7.109 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.570 -22.708 5.981 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.741 -21.557 8.612 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -17.432 -21.385 8.184 1.00 0.00 H new ATOM 1215 N TYR A 79 -15.868 -19.848 5.243 1.00 0.00 N ATOM 1216 CA TYR A 79 -16.255 -18.568 4.675 1.00 0.00 C ATOM 1217 C TYR A 79 -15.572 -18.337 3.327 1.00 0.00 C ATOM 1218 O TYR A 79 -16.209 -17.898 2.370 1.00 0.00 O ATOM 1219 CB TYR A 79 -15.777 -17.505 5.666 1.00 0.00 C ATOM 1220 CG TYR A 79 -16.616 -17.421 6.943 1.00 0.00 C ATOM 1221 CD1 TYR A 79 -16.384 -18.302 7.979 1.00 0.00 C ATOM 1222 CD2 TYR A 79 -17.604 -16.465 7.058 1.00 0.00 C ATOM 1223 CE1 TYR A 79 -17.173 -18.223 9.181 1.00 0.00 C ATOM 1224 CE2 TYR A 79 -18.393 -16.387 8.260 1.00 0.00 C ATOM 1225 CZ TYR A 79 -18.139 -17.270 9.262 1.00 0.00 C ATOM 1226 OH TYR A 79 -18.884 -17.196 10.398 1.00 0.00 O ATOM 0 H TYR A 79 -14.924 -20.152 5.005 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.332 -18.531 4.510 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.742 -17.715 5.937 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -15.787 -16.533 5.173 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -15.611 -19.051 7.889 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -17.786 -15.775 6.247 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -17.001 -18.906 10.000 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -19.169 -15.643 8.363 1.00 0.00 H new ATOM 0 HH TYR A 79 -19.535 -16.468 10.316 1.00 0.00 H new ATOM 1236 N VAL A 80 -14.282 -18.641 3.293 1.00 0.00 N ATOM 1237 CA VAL A 80 -13.505 -18.472 2.077 1.00 0.00 C ATOM 1238 C VAL A 80 -13.677 -19.708 1.191 1.00 0.00 C ATOM 1239 O VAL A 80 -13.455 -20.832 1.637 1.00 0.00 O ATOM 1240 CB VAL A 80 -12.043 -18.187 2.427 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -11.144 -18.352 1.200 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -11.887 -16.793 3.037 1.00 0.00 C ATOM 0 H VAL A 80 -13.756 -19.003 4.088 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.864 -17.613 1.510 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.729 -18.916 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.110 -18.144 1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.221 -19.373 0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.459 -17.657 0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.838 -16.616 3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.228 -16.043 2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.483 -16.725 3.947 1.00 0.00 H new ATOM 1252 N GLN A 81 -14.073 -19.456 -0.048 1.00 0.00 N ATOM 1253 CA GLN A 81 -14.278 -20.534 -1.001 1.00 0.00 C ATOM 1254 C GLN A 81 -12.954 -20.910 -1.669 1.00 0.00 C ATOM 1255 O GLN A 81 -12.689 -22.087 -1.910 1.00 0.00 O ATOM 1256 CB GLN A 81 -15.329 -20.150 -2.045 1.00 0.00 C ATOM 1257 CG GLN A 81 -15.649 -21.333 -2.961 1.00 0.00 C ATOM 1258 CD GLN A 81 -16.053 -20.853 -4.356 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -16.726 -19.848 -4.523 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -15.609 -21.624 -5.344 1.00 0.00 N ATOM 0 H GLN A 81 -14.257 -18.522 -0.414 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.651 -21.405 -0.461 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.238 -19.816 -1.545 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.966 -19.312 -2.640 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.779 -21.986 -3.035 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.456 -21.925 -2.528 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.050 -22.451 -5.134 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.827 -21.388 -6.312 1.00 0.00 H new ATOM 1269 N SER A 82 -12.158 -19.889 -1.950 1.00 0.00 N ATOM 1270 CA SER A 82 -10.868 -20.098 -2.587 1.00 0.00 C ATOM 1271 C SER A 82 -10.170 -18.755 -2.808 1.00 0.00 C ATOM 1272 O SER A 82 -10.560 -17.987 -3.687 1.00 0.00 O ATOM 1273 CB SER A 82 -11.023 -20.842 -3.914 1.00 0.00 C ATOM 1274 OG SER A 82 -12.155 -20.389 -4.652 1.00 0.00 O ATOM 0 H SER A 82 -12.381 -18.914 -1.748 1.00 0.00 H new ATOM 0 HA SER A 82 -10.256 -20.713 -1.927 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.122 -20.707 -4.513 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.120 -21.910 -3.721 1.00 0.00 H new ATOM 0 HG SER A 82 -12.150 -19.410 -4.690 1.00 0.00 H new ATOM 1280 N MET A 83 -9.151 -18.512 -1.997 1.00 0.00 N ATOM 1281 CA MET A 83 -8.396 -17.275 -2.094 1.00 0.00 C ATOM 1282 C MET A 83 -7.459 -17.298 -3.303 1.00 0.00 C ATOM 1283 O MET A 83 -7.025 -18.364 -3.737 1.00 0.00 O ATOM 1284 CB MET A 83 -7.577 -17.075 -0.817 1.00 0.00 C ATOM 1285 CG MET A 83 -6.613 -15.896 -0.964 1.00 0.00 C ATOM 1286 SD MET A 83 -5.084 -16.446 -1.705 1.00 0.00 S ATOM 1287 CE MET A 83 -3.923 -15.423 -0.815 1.00 0.00 C ATOM 0 H MET A 83 -8.831 -19.151 -1.270 1.00 0.00 H new ATOM 0 HA MET A 83 -9.099 -16.451 -2.218 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.246 -16.899 0.025 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.016 -17.983 -0.594 1.00 0.00 H new ATOM 0 HG2 MET A 83 -7.066 -15.119 -1.580 1.00 0.00 H new ATOM 0 HG3 MET A 83 -6.415 -15.454 0.012 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.976 -15.953 -0.711 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.761 -14.495 -1.363 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.322 -15.195 0.173 1.00 0.00 H new ATOM 1297 N ASP A 84 -7.174 -16.109 -3.815 1.00 0.00 N ATOM 1298 CA ASP A 84 -6.297 -15.980 -4.965 1.00 0.00 C ATOM 1299 C ASP A 84 -5.567 -14.637 -4.896 1.00 0.00 C ATOM 1300 O ASP A 84 -5.675 -13.918 -3.903 1.00 0.00 O ATOM 1301 CB ASP A 84 -7.092 -16.019 -6.271 1.00 0.00 C ATOM 1302 CG ASP A 84 -7.281 -17.414 -6.872 1.00 0.00 C ATOM 1303 OD1 ASP A 84 -6.310 -18.077 -7.264 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -8.504 -17.820 -6.931 1.00 0.00 O ATOM 0 H ASP A 84 -7.536 -15.226 -3.454 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.593 -16.812 -4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.074 -15.580 -6.094 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.588 -15.389 -7.004 1.00 0.00 H new ATOM 1309 N VAL A 85 -4.839 -14.340 -5.962 1.00 0.00 N ATOM 1310 CA VAL A 85 -4.091 -13.096 -6.035 1.00 0.00 C ATOM 1311 C VAL A 85 -4.592 -12.273 -7.223 1.00 0.00 C ATOM 1312 O VAL A 85 -4.785 -12.806 -8.315 1.00 0.00 O ATOM 1313 CB VAL A 85 -2.591 -13.391 -6.102 1.00 0.00 C ATOM 1314 CG1 VAL A 85 -1.781 -12.094 -6.167 1.00 0.00 C ATOM 1315 CG2 VAL A 85 -2.148 -14.255 -4.919 1.00 0.00 C ATOM 0 H VAL A 85 -4.751 -14.939 -6.783 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.252 -12.500 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.400 -13.953 -7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.718 -12.331 -6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.067 -11.531 -7.055 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.980 -11.496 -5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.078 -14.450 -4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.359 -13.731 -3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.691 -15.200 -4.935 1.00 0.00 H new ATOM 1325 N ALA A 86 -4.789 -10.988 -6.971 1.00 0.00 N ATOM 1326 CA ALA A 86 -5.265 -10.086 -8.006 1.00 0.00 C ATOM 1327 C ALA A 86 -4.071 -9.365 -8.636 1.00 0.00 C ATOM 1328 O ALA A 86 -4.146 -8.913 -9.777 1.00 0.00 O ATOM 1329 CB ALA A 86 -6.284 -9.114 -7.408 1.00 0.00 C ATOM 0 H ALA A 86 -4.628 -10.549 -6.064 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.770 -10.641 -8.797 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.641 -8.438 -8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.125 -9.674 -7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.813 -8.537 -6.613 1.00 0.00 H new ATOM 1335 N ALA A 87 -2.998 -9.279 -7.863 1.00 0.00 N ATOM 1336 CA ALA A 87 -1.790 -8.620 -8.331 1.00 0.00 C ATOM 1337 C ALA A 87 -0.766 -8.577 -7.196 1.00 0.00 C ATOM 1338 O ALA A 87 -1.117 -8.759 -6.031 1.00 0.00 O ATOM 1339 CB ALA A 87 -2.139 -7.226 -8.857 1.00 0.00 C ATOM 0 H ALA A 87 -2.940 -9.654 -6.916 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.344 -9.176 -9.156 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.233 -6.732 -9.208 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.846 -7.315 -9.682 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.587 -6.637 -8.057 1.00 0.00 H new ATOM 1345 N PHE A 88 0.480 -8.332 -7.574 1.00 0.00 N ATOM 1346 CA PHE A 88 1.557 -8.261 -6.602 1.00 0.00 C ATOM 1347 C PHE A 88 2.705 -7.390 -7.118 1.00 0.00 C ATOM 1348 O PHE A 88 3.602 -7.880 -7.802 1.00 0.00 O ATOM 1349 CB PHE A 88 2.069 -9.688 -6.397 1.00 0.00 C ATOM 1350 CG PHE A 88 2.310 -10.058 -4.931 1.00 0.00 C ATOM 1351 CD1 PHE A 88 3.248 -9.390 -4.207 1.00 0.00 C ATOM 1352 CD2 PHE A 88 1.588 -11.054 -4.353 1.00 0.00 C ATOM 1353 CE1 PHE A 88 3.471 -9.732 -2.848 1.00 0.00 C ATOM 1354 CE2 PHE A 88 1.811 -11.396 -2.994 1.00 0.00 C ATOM 1355 CZ PHE A 88 2.750 -10.729 -2.269 1.00 0.00 C ATOM 0 H PHE A 88 0.768 -8.180 -8.541 1.00 0.00 H new ATOM 0 HA PHE A 88 1.192 -7.822 -5.674 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.349 -10.386 -6.824 1.00 0.00 H new ATOM 0 HB3 PHE A 88 3.000 -9.812 -6.950 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.823 -8.600 -4.666 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.844 -11.585 -4.928 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.214 -9.200 -2.273 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.235 -12.186 -2.535 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.922 -10.991 -1.236 1.00 0.00 H new ATOM 1365 N ASN A 89 2.639 -6.114 -6.769 1.00 0.00 N ATOM 1366 CA ASN A 89 3.662 -5.171 -7.188 1.00 0.00 C ATOM 1367 C ASN A 89 3.713 -4.006 -6.196 1.00 0.00 C ATOM 1368 O ASN A 89 2.983 -3.997 -5.206 1.00 0.00 O ATOM 1369 CB ASN A 89 3.349 -4.598 -8.572 1.00 0.00 C ATOM 1370 CG ASN A 89 3.545 -5.657 -9.660 1.00 0.00 C ATOM 1371 OD1 ASN A 89 2.602 -6.200 -10.211 1.00 0.00 O ATOM 1372 ND2 ASN A 89 4.820 -5.918 -9.936 1.00 0.00 N ATOM 0 H ASN A 89 1.894 -5.711 -6.201 1.00 0.00 H new ATOM 0 HA ASN A 89 4.614 -5.700 -7.223 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.322 -4.233 -8.595 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.995 -3.743 -8.771 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.057 -6.610 -10.647 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.561 -5.426 -9.436 1.00 0.00 H new ATOM 1379 N LYS A 90 4.582 -3.053 -6.497 1.00 0.00 N ATOM 1380 CA LYS A 90 4.738 -1.887 -5.644 1.00 0.00 C ATOM 1381 C LYS A 90 3.669 -0.852 -6.000 1.00 0.00 C ATOM 1382 O LYS A 90 3.210 -0.753 -7.136 1.00 0.00 O ATOM 1383 CB LYS A 90 6.167 -1.347 -5.729 1.00 0.00 C ATOM 1384 CG LYS A 90 6.716 -1.472 -7.152 1.00 0.00 C ATOM 1385 CD LYS A 90 7.873 -0.498 -7.381 1.00 0.00 C ATOM 1386 CE LYS A 90 8.093 -0.247 -8.874 1.00 0.00 C ATOM 1387 NZ LYS A 90 8.198 1.204 -9.146 1.00 0.00 N ATOM 0 H LYS A 90 5.185 -3.064 -7.319 1.00 0.00 H new ATOM 0 HA LYS A 90 4.585 -2.158 -4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.184 -0.302 -5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.808 -1.895 -5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.056 -2.493 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.921 -1.273 -7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.663 0.446 -6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.784 -0.900 -6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.001 -0.751 -9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.268 -0.671 -9.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.347 1.356 -10.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.320 1.677 -8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.000 1.599 -8.616 1.00 0.00 H new ATOM 1401 N ILE A 91 3.276 -0.075 -4.989 1.00 0.00 N ATOM 1402 CA ILE A 91 2.271 0.956 -5.159 1.00 0.00 C ATOM 1403 C ILE A 91 2.697 2.217 -4.420 1.00 0.00 C ATOM 1404 O ILE A 91 2.803 2.215 -3.196 1.00 0.00 O ATOM 1405 CB ILE A 91 0.930 0.449 -4.636 1.00 0.00 C ATOM 1406 CG1 ILE A 91 0.456 -0.719 -5.497 1.00 0.00 C ATOM 1407 CG2 ILE A 91 -0.098 1.575 -4.699 1.00 0.00 C ATOM 1408 CD1 ILE A 91 -1.038 -0.940 -5.279 1.00 0.00 C ATOM 1409 OXT ILE A 91 2.941 3.250 -5.043 1.00 0.00 O ATOM 0 H ILE A 91 3.646 -0.147 -4.041 1.00 0.00 H new ATOM 0 HA ILE A 91 2.165 1.197 -6.217 1.00 0.00 H new ATOM 0 HB ILE A 91 1.045 0.117 -3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.654 -0.513 -6.549 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.009 -1.622 -5.240 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.056 1.214 -4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.239 2.410 -4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.212 1.906 -5.731 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.376 -1.774 -5.894 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.223 -1.165 -4.229 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.584 -0.039 -5.558 1.00 0.00 H new TER 1421 ILE A 91