USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 904 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 27 LYS NZ :NH3+ -167:sc= -1.64! (180deg=-1.47!) USER MOD Set 1.2: A 31 ASN : amide:sc= -0.262 K(o=-1.9,f=-10!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 45:sc= 0.162 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 30 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.59) USER MOD Single : A 36 SER OG : rot -72:sc= 0.144 USER MOD Single : A 42 GLN : amide:sc= -0.99 K(o=-0.99,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot -25:sc= 1.14 USER MOD Single : A 46 CYS SG : rot 152:sc= 2.18 USER MOD Single : A 48 TYR OH : rot 180:sc=-0.00948 USER MOD Single : A 51 GLN : amide:sc= 0.314 K(o=0.31,f=-1.2!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot -86:sc= 1.2 USER MOD Single : A 63 THR OG1 : rot -15:sc= 1.09 USER MOD Single : A 71 THR OG1 : rot -23:sc= 0.09 USER MOD Single : A 74 ASN : amide:sc= -0.946 X(o=-0.95,f=-0.78) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -115:sc= 0.272 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 153:sc= 1.26 (180deg=0.101) USER MOD Single : A 82 THR OG1 : rot 106:sc= 1.18 USER MOD Single : A 83 LYS NZ :NH3+ 167:sc= 0.77 (180deg=0.685) USER MOD Single : A 88 LYS NZ :NH3+ -164:sc= 1.15 (180deg=0.489) USER MOD Single : A 89 MET CE :methyl -150:sc= -0.926 (180deg=-1.55) USER MOD Single : A 91 GLN : amide:sc= -0.0155 K(o=-0.015,f=-1.6!) USER MOD Single : A 94 LYS NZ :NH3+ -119:sc= -0.273 (180deg=-1.55) USER MOD Single : A 98 THR OG1 : rot 180:sc=-0.00344 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -3.66! C(o=-3.7!,f=-5.3!) USER MOD Single : A 103 LYS NZ :NH3+ 149:sc= -0.581 (180deg=-1.49) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.0066 K(o=-0.0066,f=-2.5!) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 GLN : amide:sc= -1.13 K(o=-1.1,f=0.1) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-0.18) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 13 7.614 -6.769 17.297 1.00 0.00 N ATOM 2 CA GLY A 13 6.470 -5.836 17.403 1.00 0.00 C ATOM 3 C GLY A 13 6.559 -4.715 16.392 1.00 0.00 C ATOM 4 O GLY A 13 7.369 -4.770 15.466 1.00 0.00 O ATOM 0 HA2 GLY A 13 5.540 -6.385 17.255 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.436 -5.416 18.408 1.00 0.00 H new ATOM 10 N SER A 14 5.728 -3.699 16.572 1.00 0.00 N ATOM 11 CA SER A 14 5.718 -2.544 15.686 1.00 0.00 C ATOM 12 C SER A 14 6.961 -1.661 15.890 1.00 0.00 C ATOM 13 O SER A 14 7.627 -1.312 14.915 1.00 0.00 O ATOM 14 CB SER A 14 4.433 -1.739 15.897 1.00 0.00 C ATOM 15 OG SER A 14 3.296 -2.589 15.848 1.00 0.00 O ATOM 0 H SER A 14 5.047 -3.651 17.330 1.00 0.00 H new ATOM 0 HA SER A 14 5.747 -2.903 14.657 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.471 -1.229 16.860 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.351 -0.968 15.131 1.00 0.00 H new ATOM 0 HG SER A 14 2.484 -2.058 15.986 1.00 0.00 H new ATOM 21 N PRO A 15 7.306 -1.281 17.147 1.00 0.00 N ATOM 22 CA PRO A 15 8.524 -0.509 17.413 1.00 0.00 C ATOM 23 C PRO A 15 9.778 -1.278 17.007 1.00 0.00 C ATOM 24 O PRO A 15 9.769 -2.509 16.928 1.00 0.00 O ATOM 25 CB PRO A 15 8.500 -0.281 18.929 1.00 0.00 C ATOM 26 CG PRO A 15 7.575 -1.318 19.463 1.00 0.00 C ATOM 27 CD PRO A 15 6.554 -1.548 18.389 1.00 0.00 C ATOM 0 HA PRO A 15 8.550 0.420 16.843 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.497 -0.383 19.359 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.149 0.722 19.171 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.112 -2.238 19.696 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.102 -0.982 20.386 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.166 -2.566 18.414 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.700 -0.879 18.495 1.00 0.00 H new ATOM 35 N GLY A 16 10.854 -0.557 16.747 1.00 0.00 N ATOM 36 CA GLY A 16 12.075 -1.194 16.302 1.00 0.00 C ATOM 37 C GLY A 16 12.387 -0.856 14.863 1.00 0.00 C ATOM 38 O GLY A 16 13.553 -0.810 14.463 1.00 0.00 O ATOM 0 H GLY A 16 10.906 0.458 16.836 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.903 -0.879 16.938 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.983 -2.275 16.411 1.00 0.00 H new ATOM 42 N ILE A 17 11.339 -0.622 14.083 1.00 0.00 N ATOM 43 CA ILE A 17 11.493 -0.212 12.697 1.00 0.00 C ATOM 44 C ILE A 17 12.023 1.215 12.654 1.00 0.00 C ATOM 45 O ILE A 17 11.835 1.969 13.614 1.00 0.00 O ATOM 46 CB ILE A 17 10.158 -0.325 11.927 1.00 0.00 C ATOM 47 CG1 ILE A 17 9.100 0.591 12.546 1.00 0.00 C ATOM 48 CG2 ILE A 17 9.709 -1.773 11.893 1.00 0.00 C ATOM 49 CD1 ILE A 17 7.686 0.318 12.074 1.00 0.00 C ATOM 0 H ILE A 17 10.370 -0.710 14.390 1.00 0.00 H new ATOM 0 HA ILE A 17 12.204 -0.878 12.208 1.00 0.00 H new ATOM 0 HB ILE A 17 10.302 0.006 10.898 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.135 0.486 13.630 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.354 1.626 12.317 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.767 -1.849 11.349 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.466 -2.377 11.393 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.570 -2.135 12.912 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.000 1.011 12.561 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.631 0.452 10.994 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.409 -0.705 12.327 1.00 0.00 H new ATOM 61 N PRO A 18 12.688 1.610 11.557 1.00 0.00 N ATOM 62 CA PRO A 18 13.443 2.866 11.509 1.00 0.00 C ATOM 63 C PRO A 18 12.577 4.094 11.779 1.00 0.00 C ATOM 64 O PRO A 18 12.568 4.627 12.889 1.00 0.00 O ATOM 65 CB PRO A 18 14.011 2.900 10.088 1.00 0.00 C ATOM 66 CG PRO A 18 13.176 1.948 9.310 1.00 0.00 C ATOM 67 CD PRO A 18 12.740 0.889 10.271 1.00 0.00 C ATOM 0 HA PRO A 18 14.209 2.898 12.284 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.959 3.904 9.667 1.00 0.00 H new ATOM 0 HB3 PRO A 18 15.060 2.604 10.076 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.315 2.454 8.872 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.744 1.516 8.487 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.769 0.474 10.001 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.444 0.058 10.302 1.00 0.00 H new ATOM 75 N VAL A 19 11.852 4.547 10.770 1.00 0.00 N ATOM 76 CA VAL A 19 10.958 5.653 10.930 1.00 0.00 C ATOM 77 C VAL A 19 9.525 5.199 10.687 1.00 0.00 C ATOM 78 O VAL A 19 9.126 4.959 9.550 1.00 0.00 O ATOM 79 CB VAL A 19 11.297 6.780 9.957 1.00 0.00 C ATOM 80 CG1 VAL A 19 10.502 8.005 10.302 1.00 0.00 C ATOM 81 CG2 VAL A 19 12.790 7.079 9.947 1.00 0.00 C ATOM 0 H VAL A 19 11.874 4.154 9.829 1.00 0.00 H new ATOM 0 HA VAL A 19 11.064 6.026 11.949 1.00 0.00 H new ATOM 0 HB VAL A 19 11.029 6.459 8.950 1.00 0.00 H new ATOM 0 HG11 VAL A 19 10.747 8.806 9.605 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.438 7.779 10.235 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.743 8.321 11.317 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.995 7.886 9.244 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.108 7.379 10.946 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.338 6.186 9.645 1.00 0.00 H new ATOM 91 N PRO A 20 8.748 5.079 11.759 1.00 0.00 N ATOM 92 CA PRO A 20 7.367 4.596 11.704 1.00 0.00 C ATOM 93 C PRO A 20 6.447 5.547 10.946 1.00 0.00 C ATOM 94 O PRO A 20 6.591 6.769 11.026 1.00 0.00 O ATOM 95 CB PRO A 20 6.964 4.524 13.179 1.00 0.00 C ATOM 96 CG PRO A 20 7.853 5.503 13.861 1.00 0.00 C ATOM 97 CD PRO A 20 9.154 5.436 13.120 1.00 0.00 C ATOM 0 HA PRO A 20 7.287 3.646 11.176 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.914 4.781 13.316 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.101 3.519 13.579 1.00 0.00 H new ATOM 0 HG2 PRO A 20 7.432 6.508 13.827 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.985 5.249 14.913 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.681 6.390 13.145 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.823 4.690 13.549 1.00 0.00 H new ATOM 105 N GLY A 21 5.523 4.981 10.188 1.00 0.00 N ATOM 106 CA GLY A 21 4.540 5.779 9.492 1.00 0.00 C ATOM 107 C GLY A 21 3.382 4.939 9.009 1.00 0.00 C ATOM 108 O GLY A 21 3.531 3.730 8.813 1.00 0.00 O ATOM 0 H GLY A 21 5.437 3.975 10.042 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.171 6.562 10.155 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.009 6.276 8.643 1.00 0.00 H new ATOM 112 N LYS A 22 2.233 5.568 8.819 1.00 0.00 N ATOM 113 CA LYS A 22 1.045 4.873 8.345 1.00 0.00 C ATOM 114 C LYS A 22 -0.009 5.879 7.906 1.00 0.00 C ATOM 115 O LYS A 22 -0.204 6.904 8.558 1.00 0.00 O ATOM 116 CB LYS A 22 0.473 3.936 9.431 1.00 0.00 C ATOM 117 CG LYS A 22 -0.287 4.634 10.560 1.00 0.00 C ATOM 118 CD LYS A 22 0.607 5.538 11.393 1.00 0.00 C ATOM 119 CE LYS A 22 -0.188 6.274 12.458 1.00 0.00 C ATOM 120 NZ LYS A 22 0.661 7.212 13.242 1.00 0.00 N ATOM 0 H LYS A 22 2.097 6.565 8.987 1.00 0.00 H new ATOM 0 HA LYS A 22 1.330 4.259 7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.195 3.219 8.954 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.294 3.366 9.866 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.100 5.224 10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.741 3.883 11.206 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.389 4.944 11.866 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.104 6.259 10.744 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.999 6.828 11.986 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.646 5.551 13.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.078 7.693 13.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.420 6.681 13.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.078 7.919 12.603 1.00 0.00 H new ATOM 134 N VAL A 23 -0.669 5.610 6.785 1.00 0.00 N ATOM 135 CA VAL A 23 -1.757 6.462 6.334 1.00 0.00 C ATOM 136 C VAL A 23 -2.948 5.614 5.918 1.00 0.00 C ATOM 137 O VAL A 23 -2.800 4.426 5.613 1.00 0.00 O ATOM 138 CB VAL A 23 -1.342 7.400 5.170 1.00 0.00 C ATOM 139 CG1 VAL A 23 -0.277 8.379 5.623 1.00 0.00 C ATOM 140 CG2 VAL A 23 -0.841 6.614 3.972 1.00 0.00 C ATOM 0 H VAL A 23 -0.470 4.815 6.178 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.031 7.098 7.176 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.231 7.954 4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.001 9.027 4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.665 8.985 6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.601 7.830 5.962 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.559 7.304 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.027 6.021 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.630 5.952 3.616 1.00 0.00 H new ATOM 150 N THR A 24 -4.125 6.210 5.930 1.00 0.00 N ATOM 151 CA THR A 24 -5.337 5.498 5.581 1.00 0.00 C ATOM 152 C THR A 24 -6.074 6.215 4.454 1.00 0.00 C ATOM 153 O THR A 24 -6.472 7.374 4.583 1.00 0.00 O ATOM 154 CB THR A 24 -6.261 5.318 6.810 1.00 0.00 C ATOM 155 OG1 THR A 24 -7.517 4.749 6.420 1.00 0.00 O ATOM 156 CG2 THR A 24 -6.496 6.638 7.529 1.00 0.00 C ATOM 0 H THR A 24 -4.267 7.189 6.179 1.00 0.00 H new ATOM 0 HA THR A 24 -5.051 4.505 5.233 1.00 0.00 H new ATOM 0 HB THR A 24 -5.758 4.638 7.498 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.361 4.006 5.800 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.149 6.474 8.386 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.543 7.041 7.871 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.965 7.346 6.846 1.00 0.00 H new ATOM 164 N LEU A 25 -6.225 5.523 3.337 1.00 0.00 N ATOM 165 CA LEU A 25 -6.897 6.077 2.173 1.00 0.00 C ATOM 166 C LEU A 25 -8.104 5.226 1.828 1.00 0.00 C ATOM 167 O LEU A 25 -8.488 4.335 2.588 1.00 0.00 O ATOM 168 CB LEU A 25 -5.963 6.129 0.950 1.00 0.00 C ATOM 169 CG LEU A 25 -4.712 7.003 1.073 1.00 0.00 C ATOM 170 CD1 LEU A 25 -5.037 8.330 1.731 1.00 0.00 C ATOM 171 CD2 LEU A 25 -3.616 6.277 1.828 1.00 0.00 C ATOM 0 H LEU A 25 -5.888 4.568 3.211 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.203 7.094 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.645 5.112 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.541 6.482 0.096 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.347 7.209 0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.131 8.931 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.776 8.862 1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.438 8.153 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.738 6.919 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.968 6.027 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.353 5.362 1.297 1.00 0.00 H new ATOM 183 N GLN A 26 -8.679 5.490 0.672 1.00 0.00 N ATOM 184 CA GLN A 26 -9.806 4.736 0.186 1.00 0.00 C ATOM 185 C GLN A 26 -9.544 4.278 -1.224 1.00 0.00 C ATOM 186 O GLN A 26 -8.961 5.005 -2.029 1.00 0.00 O ATOM 187 CB GLN A 26 -11.093 5.550 0.265 1.00 0.00 C ATOM 188 CG GLN A 26 -11.656 5.608 1.670 1.00 0.00 C ATOM 189 CD GLN A 26 -12.878 6.493 1.783 1.00 0.00 C ATOM 190 OE1 GLN A 26 -13.032 7.461 1.037 1.00 0.00 O ATOM 191 NE2 GLN A 26 -13.752 6.174 2.723 1.00 0.00 N ATOM 0 H GLN A 26 -8.374 6.235 0.046 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.937 3.861 0.822 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.901 6.563 -0.088 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.836 5.115 -0.403 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.914 4.600 1.994 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.886 5.974 2.349 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.586 5.364 3.320 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.592 6.738 2.851 1.00 0.00 H new ATOM 200 N LYS A 27 -9.962 3.052 -1.481 1.00 0.00 N ATOM 201 CA LYS A 27 -9.747 2.378 -2.759 1.00 0.00 C ATOM 202 C LYS A 27 -10.071 3.275 -3.949 1.00 0.00 C ATOM 203 O LYS A 27 -10.969 4.118 -3.899 1.00 0.00 O ATOM 204 CB LYS A 27 -10.639 1.141 -2.865 1.00 0.00 C ATOM 205 CG LYS A 27 -10.547 0.179 -1.704 1.00 0.00 C ATOM 206 CD LYS A 27 -9.157 -0.386 -1.568 1.00 0.00 C ATOM 207 CE LYS A 27 -9.180 -1.742 -0.899 1.00 0.00 C ATOM 208 NZ LYS A 27 -9.814 -2.773 -1.758 1.00 0.00 N ATOM 0 H LYS A 27 -10.468 2.484 -0.801 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.691 2.109 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.674 1.467 -2.964 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.384 0.606 -3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.825 0.691 -0.783 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.260 -0.634 -1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.699 -0.472 -2.553 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.539 0.298 -0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.161 -2.046 -0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.722 -1.672 0.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.010 -3.623 -1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.705 -2.402 -2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.172 -3.017 -2.539 1.00 0.00 H new ATOM 222 N ASP A 28 -9.349 3.041 -5.024 1.00 0.00 N ATOM 223 CA ASP A 28 -9.571 3.725 -6.287 1.00 0.00 C ATOM 224 C ASP A 28 -10.706 3.020 -7.030 1.00 0.00 C ATOM 225 O ASP A 28 -11.258 2.047 -6.513 1.00 0.00 O ATOM 226 CB ASP A 28 -8.266 3.709 -7.105 1.00 0.00 C ATOM 227 CG ASP A 28 -8.380 4.368 -8.465 1.00 0.00 C ATOM 228 OD1 ASP A 28 -8.457 5.612 -8.529 1.00 0.00 O ATOM 229 OD2 ASP A 28 -8.403 3.639 -9.478 1.00 0.00 O ATOM 0 H ASP A 28 -8.585 2.366 -5.050 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.855 4.765 -6.124 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.486 4.212 -6.534 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.947 2.676 -7.240 1.00 0.00 H new ATOM 234 N ALA A 29 -11.055 3.479 -8.223 1.00 0.00 N ATOM 235 CA ALA A 29 -12.073 2.812 -9.032 1.00 0.00 C ATOM 236 C ALA A 29 -11.660 1.375 -9.351 1.00 0.00 C ATOM 237 O ALA A 29 -12.489 0.536 -9.693 1.00 0.00 O ATOM 238 CB ALA A 29 -12.309 3.585 -10.315 1.00 0.00 C ATOM 0 H ALA A 29 -10.650 4.310 -8.655 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.000 2.782 -8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.069 3.079 -10.910 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.647 4.593 -10.075 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.380 3.639 -10.883 1.00 0.00 H new ATOM 244 N GLN A 30 -10.368 1.105 -9.229 1.00 0.00 N ATOM 245 CA GLN A 30 -9.817 -0.203 -9.500 1.00 0.00 C ATOM 246 C GLN A 30 -9.789 -1.056 -8.235 1.00 0.00 C ATOM 247 O GLN A 30 -9.250 -2.163 -8.233 1.00 0.00 O ATOM 248 CB GLN A 30 -8.416 -0.018 -10.027 1.00 0.00 C ATOM 249 CG GLN A 30 -8.212 -0.493 -11.452 1.00 0.00 C ATOM 250 CD GLN A 30 -6.755 -0.457 -11.864 1.00 0.00 C ATOM 251 OE1 GLN A 30 -6.262 0.555 -12.365 1.00 0.00 O ATOM 252 NE2 GLN A 30 -6.059 -1.564 -11.663 1.00 0.00 N ATOM 0 H GLN A 30 -9.675 1.794 -8.938 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.438 -0.718 -10.233 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.156 1.039 -9.969 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.723 -0.552 -9.377 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.591 -1.510 -11.552 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.795 0.132 -12.129 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.507 -2.379 -11.245 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.074 -1.602 -11.926 1.00 0.00 H new ATOM 261 N ASN A 31 -10.339 -0.499 -7.156 1.00 0.00 N ATOM 262 CA ASN A 31 -10.462 -1.198 -5.863 1.00 0.00 C ATOM 263 C ASN A 31 -9.096 -1.360 -5.191 1.00 0.00 C ATOM 264 O ASN A 31 -8.915 -2.146 -4.258 1.00 0.00 O ATOM 265 CB ASN A 31 -11.127 -2.566 -6.061 1.00 0.00 C ATOM 266 CG ASN A 31 -11.270 -3.368 -4.776 1.00 0.00 C ATOM 267 OD1 ASN A 31 -11.609 -2.827 -3.719 1.00 0.00 O ATOM 268 ND2 ASN A 31 -10.962 -4.657 -4.851 1.00 0.00 N ATOM 0 H ASN A 31 -10.714 0.450 -7.147 1.00 0.00 H new ATOM 0 HA ASN A 31 -11.089 -0.593 -5.208 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.114 -2.420 -6.500 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.542 -3.144 -6.777 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.001 -5.240 -4.015 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.687 -5.064 -5.745 1.00 0.00 H new ATOM 275 N LEU A 32 -8.135 -0.600 -5.647 1.00 0.00 N ATOM 276 CA LEU A 32 -6.799 -0.682 -5.089 1.00 0.00 C ATOM 277 C LEU A 32 -6.287 0.682 -4.690 1.00 0.00 C ATOM 278 O LEU A 32 -7.042 1.654 -4.695 1.00 0.00 O ATOM 279 CB LEU A 32 -5.852 -1.357 -6.080 1.00 0.00 C ATOM 280 CG LEU A 32 -6.012 -0.945 -7.550 1.00 0.00 C ATOM 281 CD1 LEU A 32 -5.644 0.515 -7.775 1.00 0.00 C ATOM 282 CD2 LEU A 32 -5.173 -1.842 -8.444 1.00 0.00 C ATOM 0 H LEU A 32 -8.245 0.081 -6.399 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.843 -1.290 -4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.827 -1.147 -5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.991 -2.436 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.064 -1.062 -7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.772 0.764 -8.828 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.291 1.151 -7.171 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.605 0.677 -7.487 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.297 -1.538 -9.483 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.123 -1.756 -8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.496 -2.876 -8.328 1.00 0.00 H new ATOM 294 N ILE A 33 -5.016 0.757 -4.339 1.00 0.00 N ATOM 295 CA ILE A 33 -4.449 1.998 -3.896 1.00 0.00 C ATOM 296 C ILE A 33 -3.640 2.666 -4.993 1.00 0.00 C ATOM 297 O ILE A 33 -3.555 3.891 -5.037 1.00 0.00 O ATOM 298 CB ILE A 33 -3.572 1.795 -2.657 1.00 0.00 C ATOM 299 CG1 ILE A 33 -3.622 0.334 -2.184 1.00 0.00 C ATOM 300 CG2 ILE A 33 -4.051 2.730 -1.564 1.00 0.00 C ATOM 301 CD1 ILE A 33 -2.677 0.037 -1.041 1.00 0.00 C ATOM 0 H ILE A 33 -4.366 -0.029 -4.355 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.282 2.651 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.535 2.022 -2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.640 0.095 -1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.382 -0.320 -3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.435 2.596 -0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.973 3.761 -1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.090 2.506 -1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.766 -1.012 -0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.653 0.244 -1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.930 0.665 -0.187 1.00 0.00 H new ATOM 313 N GLY A 34 -3.069 1.865 -5.886 1.00 0.00 N ATOM 314 CA GLY A 34 -2.279 2.411 -6.974 1.00 0.00 C ATOM 315 C GLY A 34 -0.786 2.227 -6.777 1.00 0.00 C ATOM 316 O GLY A 34 0.010 3.014 -7.294 1.00 0.00 O ATOM 0 H GLY A 34 -3.139 0.847 -5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.578 1.933 -7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.498 3.474 -7.076 1.00 0.00 H new ATOM 320 N ILE A 35 -0.394 1.193 -6.038 1.00 0.00 N ATOM 321 CA ILE A 35 1.024 0.941 -5.773 1.00 0.00 C ATOM 322 C ILE A 35 1.469 -0.410 -6.312 1.00 0.00 C ATOM 323 O ILE A 35 0.660 -1.207 -6.791 1.00 0.00 O ATOM 324 CB ILE A 35 1.353 1.008 -4.262 1.00 0.00 C ATOM 325 CG1 ILE A 35 0.412 0.114 -3.454 1.00 0.00 C ATOM 326 CG2 ILE A 35 1.297 2.436 -3.755 1.00 0.00 C ATOM 327 CD1 ILE A 35 0.906 -1.302 -3.279 1.00 0.00 C ATOM 0 H ILE A 35 -1.031 0.519 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 35 1.568 1.731 -6.291 1.00 0.00 H new ATOM 0 HB ILE A 35 2.370 0.639 -4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.261 0.559 -2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.560 0.090 -3.946 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.532 2.454 -2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.022 3.043 -4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.296 2.839 -3.912 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.182 -1.870 -2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.030 -1.768 -4.257 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.864 -1.292 -2.758 1.00 0.00 H new ATOM 339 N SER A 36 2.763 -0.655 -6.224 1.00 0.00 N ATOM 340 CA SER A 36 3.341 -1.926 -6.610 1.00 0.00 C ATOM 341 C SER A 36 4.328 -2.399 -5.565 1.00 0.00 C ATOM 342 O SER A 36 5.205 -1.648 -5.144 1.00 0.00 O ATOM 343 CB SER A 36 4.024 -1.814 -7.967 1.00 0.00 C ATOM 344 OG SER A 36 3.056 -1.713 -8.988 1.00 0.00 O ATOM 0 H SER A 36 3.443 0.024 -5.882 1.00 0.00 H new ATOM 0 HA SER A 36 2.537 -2.658 -6.686 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.675 -0.940 -7.984 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.656 -2.686 -8.138 1.00 0.00 H new ATOM 0 HG SER A 36 2.616 -2.580 -9.108 1.00 0.00 H new ATOM 350 N ILE A 37 4.171 -3.640 -5.147 1.00 0.00 N ATOM 351 CA ILE A 37 5.033 -4.210 -4.116 1.00 0.00 C ATOM 352 C ILE A 37 6.068 -5.167 -4.715 1.00 0.00 C ATOM 353 O ILE A 37 5.803 -5.862 -5.697 1.00 0.00 O ATOM 354 CB ILE A 37 4.209 -4.924 -3.015 1.00 0.00 C ATOM 355 CG1 ILE A 37 3.263 -3.920 -2.348 1.00 0.00 C ATOM 356 CG2 ILE A 37 5.118 -5.570 -1.972 1.00 0.00 C ATOM 357 CD1 ILE A 37 2.402 -4.514 -1.254 1.00 0.00 C ATOM 0 H ILE A 37 3.457 -4.276 -5.502 1.00 0.00 H new ATOM 0 HA ILE A 37 5.567 -3.379 -3.654 1.00 0.00 H new ATOM 0 HB ILE A 37 3.625 -5.717 -3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.853 -3.105 -1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.615 -3.486 -3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.509 -6.062 -1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.761 -6.306 -2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.734 -4.804 -1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.762 -3.739 -0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.783 -5.310 -1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.040 -4.922 -0.470 1.00 0.00 H new ATOM 369 N GLY A 38 7.250 -5.173 -4.122 1.00 0.00 N ATOM 370 CA GLY A 38 8.327 -6.022 -4.578 1.00 0.00 C ATOM 371 C GLY A 38 9.538 -5.944 -3.667 1.00 0.00 C ATOM 372 O GLY A 38 9.778 -4.922 -3.013 1.00 0.00 O ATOM 0 H GLY A 38 7.485 -4.592 -3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.978 -7.053 -4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.614 -5.732 -5.589 1.00 0.00 H new ATOM 376 N GLY A 39 10.290 -7.033 -3.612 1.00 0.00 N ATOM 377 CA GLY A 39 11.499 -7.062 -2.822 1.00 0.00 C ATOM 378 C GLY A 39 12.727 -6.852 -3.677 1.00 0.00 C ATOM 379 O GLY A 39 13.091 -7.717 -4.478 1.00 0.00 O ATOM 0 H GLY A 39 10.081 -7.901 -4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.452 -6.289 -2.055 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.574 -8.019 -2.305 1.00 0.00 H new ATOM 383 N GLY A 40 13.357 -5.700 -3.524 1.00 0.00 N ATOM 384 CA GLY A 40 14.543 -5.403 -4.296 1.00 0.00 C ATOM 385 C GLY A 40 14.236 -4.588 -5.536 1.00 0.00 C ATOM 386 O GLY A 40 13.348 -4.938 -6.314 1.00 0.00 O ATOM 0 H GLY A 40 13.068 -4.965 -2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 40 15.252 -4.858 -3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 40 15.026 -6.335 -4.588 1.00 0.00 H new ATOM 390 N ALA A 41 14.967 -3.498 -5.721 1.00 0.00 N ATOM 391 CA ALA A 41 14.796 -2.658 -6.897 1.00 0.00 C ATOM 392 C ALA A 41 15.850 -2.997 -7.945 1.00 0.00 C ATOM 393 O ALA A 41 15.624 -3.849 -8.803 1.00 0.00 O ATOM 394 CB ALA A 41 14.853 -1.187 -6.514 1.00 0.00 C ATOM 0 H ALA A 41 15.684 -3.175 -5.072 1.00 0.00 H new ATOM 0 HA ALA A 41 13.814 -2.852 -7.329 1.00 0.00 H new ATOM 0 HB1 ALA A 41 14.723 -0.574 -7.406 1.00 0.00 H new ATOM 0 HB2 ALA A 41 14.058 -0.965 -5.802 1.00 0.00 H new ATOM 0 HB3 ALA A 41 15.819 -0.967 -6.059 1.00 0.00 H new ATOM 400 N GLN A 42 17.010 -2.358 -7.861 1.00 0.00 N ATOM 401 CA GLN A 42 18.103 -2.662 -8.774 1.00 0.00 C ATOM 402 C GLN A 42 19.105 -3.601 -8.108 1.00 0.00 C ATOM 403 O GLN A 42 19.581 -4.553 -8.726 1.00 0.00 O ATOM 404 CB GLN A 42 18.801 -1.382 -9.259 1.00 0.00 C ATOM 405 CG GLN A 42 19.403 -0.539 -8.145 1.00 0.00 C ATOM 406 CD GLN A 42 20.119 0.697 -8.653 1.00 0.00 C ATOM 407 OE1 GLN A 42 20.172 1.719 -7.969 1.00 0.00 O ATOM 408 NE2 GLN A 42 20.684 0.615 -9.847 1.00 0.00 N ATOM 0 H GLN A 42 17.217 -1.632 -7.175 1.00 0.00 H new ATOM 0 HA GLN A 42 17.682 -3.160 -9.647 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.590 -1.655 -9.959 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.082 -0.776 -9.810 1.00 0.00 H new ATOM 0 HG2 GLN A 42 18.612 -0.237 -7.459 1.00 0.00 H new ATOM 0 HG3 GLN A 42 20.104 -1.149 -7.575 1.00 0.00 H new ATOM 0 HE21 GLN A 42 20.618 -0.250 -10.384 1.00 0.00 H new ATOM 0 HE22 GLN A 42 21.185 1.417 -10.230 1.00 0.00 H new ATOM 417 N TYR A 43 19.405 -3.341 -6.840 1.00 0.00 N ATOM 418 CA TYR A 43 20.331 -4.175 -6.089 1.00 0.00 C ATOM 419 C TYR A 43 19.571 -5.314 -5.414 1.00 0.00 C ATOM 420 O TYR A 43 19.412 -6.383 -5.999 1.00 0.00 O ATOM 421 CB TYR A 43 21.103 -3.332 -5.062 1.00 0.00 C ATOM 422 CG TYR A 43 22.143 -4.096 -4.268 1.00 0.00 C ATOM 423 CD1 TYR A 43 23.219 -4.709 -4.898 1.00 0.00 C ATOM 424 CD2 TYR A 43 22.055 -4.188 -2.884 1.00 0.00 C ATOM 425 CE1 TYR A 43 24.175 -5.394 -4.171 1.00 0.00 C ATOM 426 CE2 TYR A 43 23.007 -4.871 -2.152 1.00 0.00 C ATOM 427 CZ TYR A 43 24.064 -5.473 -2.800 1.00 0.00 C ATOM 428 OH TYR A 43 25.018 -6.150 -2.073 1.00 0.00 O ATOM 0 H TYR A 43 19.019 -2.558 -6.312 1.00 0.00 H new ATOM 0 HA TYR A 43 21.060 -4.608 -6.774 1.00 0.00 H new ATOM 0 HB2 TYR A 43 21.595 -2.511 -5.583 1.00 0.00 H new ATOM 0 HB3 TYR A 43 20.390 -2.888 -4.368 1.00 0.00 H new ATOM 0 HD1 TYR A 43 23.310 -4.649 -5.973 1.00 0.00 H new ATOM 0 HD2 TYR A 43 21.228 -3.718 -2.372 1.00 0.00 H new ATOM 0 HE1 TYR A 43 25.005 -5.865 -4.676 1.00 0.00 H new ATOM 0 HE2 TYR A 43 22.923 -4.933 -1.077 1.00 0.00 H new ATOM 0 HH TYR A 43 24.792 -6.110 -1.120 1.00 0.00 H new ATOM 438 N CYS A 44 19.078 -5.063 -4.202 1.00 0.00 N ATOM 439 CA CYS A 44 18.205 -6.005 -3.498 1.00 0.00 C ATOM 440 C CYS A 44 17.804 -5.484 -2.110 1.00 0.00 C ATOM 441 O CYS A 44 17.918 -6.207 -1.124 1.00 0.00 O ATOM 442 CB CYS A 44 18.880 -7.378 -3.356 1.00 0.00 C ATOM 443 SG CYS A 44 20.494 -7.337 -2.539 1.00 0.00 S ATOM 0 H CYS A 44 19.270 -4.207 -3.682 1.00 0.00 H new ATOM 0 HA CYS A 44 17.302 -6.109 -4.099 1.00 0.00 H new ATOM 0 HB2 CYS A 44 18.219 -8.038 -2.794 1.00 0.00 H new ATOM 0 HB3 CYS A 44 18.999 -7.815 -4.347 1.00 0.00 H new ATOM 0 HG CYS A 44 21.029 -6.163 -2.694 1.00 0.00 H new ATOM 449 N PRO A 45 17.324 -4.226 -1.999 1.00 0.00 N ATOM 450 CA PRO A 45 16.885 -3.673 -0.723 1.00 0.00 C ATOM 451 C PRO A 45 15.461 -4.099 -0.389 1.00 0.00 C ATOM 452 O PRO A 45 14.833 -4.825 -1.158 1.00 0.00 O ATOM 453 CB PRO A 45 16.946 -2.152 -0.945 1.00 0.00 C ATOM 454 CG PRO A 45 17.454 -1.958 -2.336 1.00 0.00 C ATOM 455 CD PRO A 45 17.162 -3.235 -3.061 1.00 0.00 C ATOM 0 HA PRO A 45 17.502 -4.016 0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 45 15.962 -1.700 -0.823 1.00 0.00 H new ATOM 0 HB3 PRO A 45 17.607 -1.678 -0.219 1.00 0.00 H new ATOM 0 HG2 PRO A 45 16.961 -1.114 -2.818 1.00 0.00 H new ATOM 0 HG3 PRO A 45 18.523 -1.745 -2.335 1.00 0.00 H new ATOM 0 HD2 PRO A 45 16.156 -3.246 -3.480 1.00 0.00 H new ATOM 0 HD3 PRO A 45 17.853 -3.404 -3.887 1.00 0.00 H new ATOM 463 N CYS A 46 14.949 -3.650 0.743 1.00 0.00 N ATOM 464 CA CYS A 46 13.582 -3.970 1.117 1.00 0.00 C ATOM 465 C CYS A 46 12.599 -3.152 0.282 1.00 0.00 C ATOM 466 O CYS A 46 12.069 -3.657 -0.708 1.00 0.00 O ATOM 467 CB CYS A 46 13.371 -3.726 2.615 1.00 0.00 C ATOM 468 SG CYS A 46 13.997 -2.135 3.207 1.00 0.00 S ATOM 0 H CYS A 46 15.452 -3.069 1.413 1.00 0.00 H new ATOM 0 HA CYS A 46 13.398 -5.026 0.917 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.305 -3.788 2.834 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.858 -4.525 3.173 1.00 0.00 H new ATOM 0 HG CYS A 46 13.306 -1.754 4.241 1.00 0.00 H new ATOM 474 N LEU A 47 12.433 -1.883 0.680 1.00 0.00 N ATOM 475 CA LEU A 47 11.514 -0.892 0.092 1.00 0.00 C ATOM 476 C LEU A 47 10.057 -1.359 -0.080 1.00 0.00 C ATOM 477 O LEU A 47 9.147 -0.667 0.360 1.00 0.00 O ATOM 478 CB LEU A 47 12.084 -0.238 -1.189 1.00 0.00 C ATOM 479 CG LEU A 47 12.823 -1.143 -2.181 1.00 0.00 C ATOM 480 CD1 LEU A 47 11.844 -1.873 -3.078 1.00 0.00 C ATOM 481 CD2 LEU A 47 13.805 -0.330 -3.008 1.00 0.00 C ATOM 0 H LEU A 47 12.963 -1.498 1.462 1.00 0.00 H new ATOM 0 HA LEU A 47 11.450 -0.114 0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.259 0.237 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.767 0.555 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 47 13.381 -1.888 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.392 -2.509 -3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.181 -2.488 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.253 -1.148 -3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.322 -0.986 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.265 0.438 -3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.533 0.142 -2.348 1.00 0.00 H new ATOM 493 N TYR A 48 9.829 -2.526 -0.673 1.00 0.00 N ATOM 494 CA TYR A 48 8.488 -3.052 -0.896 1.00 0.00 C ATOM 495 C TYR A 48 7.707 -2.252 -1.937 1.00 0.00 C ATOM 496 O TYR A 48 7.190 -2.838 -2.873 1.00 0.00 O ATOM 497 CB TYR A 48 7.719 -3.164 0.421 1.00 0.00 C ATOM 498 CG TYR A 48 8.495 -3.934 1.459 1.00 0.00 C ATOM 499 CD1 TYR A 48 9.069 -5.155 1.140 1.00 0.00 C ATOM 500 CD2 TYR A 48 8.687 -3.433 2.737 1.00 0.00 C ATOM 501 CE1 TYR A 48 9.806 -5.858 2.064 1.00 0.00 C ATOM 502 CE2 TYR A 48 9.427 -4.129 3.670 1.00 0.00 C ATOM 503 CZ TYR A 48 9.986 -5.342 3.328 1.00 0.00 C ATOM 504 OH TYR A 48 10.724 -6.041 4.257 1.00 0.00 O ATOM 0 H TYR A 48 10.572 -3.136 -1.014 1.00 0.00 H new ATOM 0 HA TYR A 48 8.604 -4.055 -1.307 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.498 -2.166 0.799 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.763 -3.656 0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.935 -5.561 0.148 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.250 -2.483 3.007 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.242 -6.810 1.800 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.568 -3.726 4.662 1.00 0.00 H new ATOM 0 HH TYR A 48 10.754 -5.537 5.097 1.00 0.00 H new ATOM 514 N ILE A 49 7.614 -0.933 -1.811 1.00 0.00 N ATOM 515 CA ILE A 49 6.890 -0.171 -2.815 1.00 0.00 C ATOM 516 C ILE A 49 7.839 0.221 -3.957 1.00 0.00 C ATOM 517 O ILE A 49 8.785 0.999 -3.790 1.00 0.00 O ATOM 518 CB ILE A 49 6.146 1.050 -2.203 1.00 0.00 C ATOM 519 CG1 ILE A 49 5.023 1.528 -3.128 1.00 0.00 C ATOM 520 CG2 ILE A 49 7.095 2.198 -1.911 1.00 0.00 C ATOM 521 CD1 ILE A 49 5.455 2.560 -4.144 1.00 0.00 C ATOM 0 H ILE A 49 8.017 -0.386 -1.050 1.00 0.00 H new ATOM 0 HA ILE A 49 6.107 -0.804 -3.233 1.00 0.00 H new ATOM 0 HB ILE A 49 5.712 0.718 -1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.610 0.667 -3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.220 1.946 -2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.537 3.032 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.856 1.870 -1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.575 2.518 -2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.601 2.845 -4.759 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.840 3.439 -3.628 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.236 2.141 -4.779 1.00 0.00 H new ATOM 533 N VAL A 50 7.599 -0.373 -5.114 1.00 0.00 N ATOM 534 CA VAL A 50 8.480 -0.209 -6.261 1.00 0.00 C ATOM 535 C VAL A 50 8.038 0.960 -7.135 1.00 0.00 C ATOM 536 O VAL A 50 8.863 1.624 -7.762 1.00 0.00 O ATOM 537 CB VAL A 50 8.532 -1.501 -7.109 1.00 0.00 C ATOM 538 CG1 VAL A 50 9.548 -1.376 -8.236 1.00 0.00 C ATOM 539 CG2 VAL A 50 8.853 -2.704 -6.233 1.00 0.00 C ATOM 0 H VAL A 50 6.796 -0.978 -5.285 1.00 0.00 H new ATOM 0 HA VAL A 50 9.477 0.001 -5.875 1.00 0.00 H new ATOM 0 HB VAL A 50 7.549 -1.649 -7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.563 -2.299 -8.816 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.272 -0.545 -8.884 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.537 -1.195 -7.816 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.885 -3.604 -6.848 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.821 -2.557 -5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.083 -2.814 -5.469 1.00 0.00 H new ATOM 549 N GLN A 51 6.742 1.233 -7.153 1.00 0.00 N ATOM 550 CA GLN A 51 6.203 2.284 -7.999 1.00 0.00 C ATOM 551 C GLN A 51 4.798 2.636 -7.546 1.00 0.00 C ATOM 552 O GLN A 51 4.116 1.831 -6.907 1.00 0.00 O ATOM 553 CB GLN A 51 6.184 1.873 -9.481 1.00 0.00 C ATOM 554 CG GLN A 51 4.896 1.206 -9.915 1.00 0.00 C ATOM 555 CD GLN A 51 5.004 0.572 -11.274 1.00 0.00 C ATOM 556 OE1 GLN A 51 6.081 0.160 -11.705 1.00 0.00 O ATOM 557 NE2 GLN A 51 3.887 0.471 -11.951 1.00 0.00 N ATOM 0 H GLN A 51 6.046 0.742 -6.592 1.00 0.00 H new ATOM 0 HA GLN A 51 6.853 3.154 -7.904 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.349 2.758 -10.096 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.015 1.194 -9.671 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.620 0.446 -9.184 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.094 1.944 -9.925 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.017 0.826 -11.555 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.888 0.037 -12.874 1.00 0.00 H new ATOM 566 N VAL A 52 4.391 3.838 -7.871 1.00 0.00 N ATOM 567 CA VAL A 52 3.069 4.328 -7.542 1.00 0.00 C ATOM 568 C VAL A 52 2.545 5.175 -8.696 1.00 0.00 C ATOM 569 O VAL A 52 3.317 5.605 -9.552 1.00 0.00 O ATOM 570 CB VAL A 52 3.081 5.154 -6.236 1.00 0.00 C ATOM 571 CG1 VAL A 52 3.736 6.510 -6.443 1.00 0.00 C ATOM 572 CG2 VAL A 52 1.680 5.305 -5.673 1.00 0.00 C ATOM 0 H VAL A 52 4.969 4.511 -8.375 1.00 0.00 H new ATOM 0 HA VAL A 52 2.412 3.473 -7.384 1.00 0.00 H new ATOM 0 HB VAL A 52 3.679 4.608 -5.506 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.728 7.065 -5.505 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.765 6.370 -6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.185 7.068 -7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.718 5.890 -4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.048 5.813 -6.401 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.266 4.320 -5.458 1.00 0.00 H new ATOM 582 N PHE A 53 1.245 5.388 -8.736 1.00 0.00 N ATOM 583 CA PHE A 53 0.644 6.222 -9.746 1.00 0.00 C ATOM 584 C PHE A 53 0.066 7.462 -9.080 1.00 0.00 C ATOM 585 O PHE A 53 -0.764 7.379 -8.182 1.00 0.00 O ATOM 586 CB PHE A 53 -0.412 5.448 -10.529 1.00 0.00 C ATOM 587 CG PHE A 53 0.135 4.244 -11.243 1.00 0.00 C ATOM 588 CD1 PHE A 53 0.857 4.388 -12.417 1.00 0.00 C ATOM 589 CD2 PHE A 53 -0.066 2.971 -10.735 1.00 0.00 C ATOM 590 CE1 PHE A 53 1.365 3.282 -13.071 1.00 0.00 C ATOM 591 CE2 PHE A 53 0.441 1.864 -11.385 1.00 0.00 C ATOM 592 CZ PHE A 53 1.157 2.021 -12.554 1.00 0.00 C ATOM 0 H PHE A 53 0.582 4.988 -8.071 1.00 0.00 H new ATOM 0 HA PHE A 53 1.399 6.535 -10.467 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.199 5.129 -9.845 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.874 6.114 -11.258 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.024 5.374 -12.825 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.626 2.843 -9.820 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.925 3.405 -13.986 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.278 0.877 -10.979 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.555 1.156 -13.064 1.00 0.00 H new ATOM 602 N ASP A 54 0.521 8.595 -9.558 1.00 0.00 N ATOM 603 CA ASP A 54 0.372 9.905 -8.897 1.00 0.00 C ATOM 604 C ASP A 54 -1.077 10.279 -8.568 1.00 0.00 C ATOM 605 O ASP A 54 -1.334 11.035 -7.631 1.00 0.00 O ATOM 606 CB ASP A 54 0.990 10.992 -9.783 1.00 0.00 C ATOM 607 CG ASP A 54 0.992 12.362 -9.129 1.00 0.00 C ATOM 608 OD1 ASP A 54 1.878 12.623 -8.287 1.00 0.00 O ATOM 609 OD2 ASP A 54 0.112 13.189 -9.456 1.00 0.00 O ATOM 0 H ASP A 54 1.023 8.651 -10.444 1.00 0.00 H new ATOM 0 HA ASP A 54 0.891 9.828 -7.942 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.014 10.712 -10.030 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.438 11.045 -10.722 1.00 0.00 H new ATOM 614 N ASN A 55 -2.013 9.734 -9.317 1.00 0.00 N ATOM 615 CA ASN A 55 -3.407 10.132 -9.219 1.00 0.00 C ATOM 616 C ASN A 55 -4.200 9.108 -8.434 1.00 0.00 C ATOM 617 O ASN A 55 -5.428 9.172 -8.361 1.00 0.00 O ATOM 618 CB ASN A 55 -4.022 10.327 -10.605 1.00 0.00 C ATOM 619 CG ASN A 55 -3.410 11.502 -11.333 1.00 0.00 C ATOM 620 OD1 ASN A 55 -3.869 12.636 -11.202 1.00 0.00 O ATOM 621 ND2 ASN A 55 -2.366 11.245 -12.099 1.00 0.00 N ATOM 0 H ASN A 55 -1.833 9.006 -10.008 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.446 11.085 -8.691 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.882 9.421 -11.195 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.097 10.480 -10.507 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.909 12.001 -12.609 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.016 10.290 -12.181 1.00 0.00 H new ATOM 628 N THR A 56 -3.491 8.162 -7.845 1.00 0.00 N ATOM 629 CA THR A 56 -4.127 7.105 -7.083 1.00 0.00 C ATOM 630 C THR A 56 -4.101 7.485 -5.629 1.00 0.00 C ATOM 631 O THR A 56 -3.174 8.174 -5.226 1.00 0.00 O ATOM 632 CB THR A 56 -3.392 5.768 -7.263 1.00 0.00 C ATOM 633 OG1 THR A 56 -2.109 5.824 -6.622 1.00 0.00 O ATOM 634 CG2 THR A 56 -3.194 5.475 -8.729 1.00 0.00 C ATOM 0 H THR A 56 -2.473 8.105 -7.880 1.00 0.00 H new ATOM 0 HA THR A 56 -5.150 6.983 -7.439 1.00 0.00 H new ATOM 0 HB THR A 56 -3.995 4.979 -6.813 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.451 6.204 -7.240 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.672 4.525 -8.843 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.164 5.418 -9.223 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.603 6.270 -9.182 1.00 0.00 H new ATOM 642 N PRO A 57 -5.071 7.054 -4.815 1.00 0.00 N ATOM 643 CA PRO A 57 -5.156 7.488 -3.418 1.00 0.00 C ATOM 644 C PRO A 57 -3.815 7.338 -2.706 1.00 0.00 C ATOM 645 O PRO A 57 -3.417 8.188 -1.907 1.00 0.00 O ATOM 646 CB PRO A 57 -6.192 6.539 -2.803 1.00 0.00 C ATOM 647 CG PRO A 57 -6.399 5.456 -3.815 1.00 0.00 C ATOM 648 CD PRO A 57 -6.118 6.079 -5.148 1.00 0.00 C ATOM 0 HA PRO A 57 -5.427 8.540 -3.329 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.835 6.129 -1.858 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.125 7.061 -2.592 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.731 4.615 -3.629 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.418 5.070 -3.771 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.775 5.345 -5.877 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.002 6.558 -5.569 1.00 0.00 H new ATOM 656 N ALA A 58 -3.119 6.257 -3.047 1.00 0.00 N ATOM 657 CA ALA A 58 -1.798 5.962 -2.507 1.00 0.00 C ATOM 658 C ALA A 58 -0.804 7.089 -2.773 1.00 0.00 C ATOM 659 O ALA A 58 -0.214 7.627 -1.840 1.00 0.00 O ATOM 660 CB ALA A 58 -1.276 4.666 -3.095 1.00 0.00 C ATOM 0 H ALA A 58 -3.458 5.559 -3.709 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.901 5.862 -1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.288 4.453 -2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.956 3.852 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.208 4.760 -4.179 1.00 0.00 H new ATOM 666 N ALA A 59 -0.603 7.444 -4.037 1.00 0.00 N ATOM 667 CA ALA A 59 0.327 8.522 -4.366 1.00 0.00 C ATOM 668 C ALA A 59 -0.279 9.864 -4.000 1.00 0.00 C ATOM 669 O ALA A 59 0.325 10.670 -3.291 1.00 0.00 O ATOM 670 CB ALA A 59 0.659 8.508 -5.842 1.00 0.00 C ATOM 0 H ALA A 59 -1.061 7.011 -4.839 1.00 0.00 H new ATOM 0 HA ALA A 59 1.243 8.368 -3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.353 9.318 -6.067 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.118 7.554 -6.103 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.254 8.641 -6.422 1.00 0.00 H new ATOM 676 N LEU A 60 -1.484 10.062 -4.508 1.00 0.00 N ATOM 677 CA LEU A 60 -2.261 11.283 -4.342 1.00 0.00 C ATOM 678 C LEU A 60 -2.258 11.796 -2.896 1.00 0.00 C ATOM 679 O LEU A 60 -1.588 12.779 -2.578 1.00 0.00 O ATOM 680 CB LEU A 60 -3.689 10.929 -4.774 1.00 0.00 C ATOM 681 CG LEU A 60 -4.627 12.060 -5.195 1.00 0.00 C ATOM 682 CD1 LEU A 60 -4.884 13.037 -4.058 1.00 0.00 C ATOM 683 CD2 LEU A 60 -4.079 12.770 -6.419 1.00 0.00 C ATOM 0 H LEU A 60 -1.965 9.356 -5.065 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.828 12.086 -4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.619 10.229 -5.607 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.162 10.396 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.589 11.618 -5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.555 13.825 -4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.341 12.509 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.940 13.478 -3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.757 13.573 -6.708 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.099 13.188 -6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.987 12.060 -7.241 1.00 0.00 H new ATOM 695 N ASP A 61 -3.016 11.135 -2.033 1.00 0.00 N ATOM 696 CA ASP A 61 -3.163 11.576 -0.650 1.00 0.00 C ATOM 697 C ASP A 61 -2.211 10.831 0.278 1.00 0.00 C ATOM 698 O ASP A 61 -1.716 11.384 1.260 1.00 0.00 O ATOM 699 CB ASP A 61 -4.613 11.395 -0.192 1.00 0.00 C ATOM 700 CG ASP A 61 -4.896 12.054 1.145 1.00 0.00 C ATOM 701 OD1 ASP A 61 -4.988 13.300 1.191 1.00 0.00 O ATOM 702 OD2 ASP A 61 -5.057 11.337 2.151 1.00 0.00 O ATOM 0 H ASP A 61 -3.540 10.291 -2.264 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.905 12.634 -0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.281 11.812 -0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.836 10.330 -0.121 1.00 0.00 H new ATOM 707 N GLY A 62 -1.952 9.574 -0.054 1.00 0.00 N ATOM 708 CA GLY A 62 -1.257 8.680 0.864 1.00 0.00 C ATOM 709 C GLY A 62 0.230 8.952 0.992 1.00 0.00 C ATOM 710 O GLY A 62 0.824 8.650 2.023 1.00 0.00 O ATOM 0 H GLY A 62 -2.210 9.151 -0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.716 8.761 1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.399 7.652 0.530 1.00 0.00 H new ATOM 714 N THR A 63 0.826 9.482 -0.073 1.00 0.00 N ATOM 715 CA THR A 63 2.254 9.839 -0.125 1.00 0.00 C ATOM 716 C THR A 63 3.141 8.605 0.000 1.00 0.00 C ATOM 717 O THR A 63 4.349 8.695 0.220 1.00 0.00 O ATOM 718 CB THR A 63 2.638 10.891 0.945 1.00 0.00 C ATOM 719 OG1 THR A 63 2.688 10.314 2.258 1.00 0.00 O ATOM 720 CG2 THR A 63 1.624 12.013 0.934 1.00 0.00 C ATOM 0 H THR A 63 0.329 9.681 -0.941 1.00 0.00 H new ATOM 0 HA THR A 63 2.423 10.290 -1.103 1.00 0.00 H new ATOM 0 HB THR A 63 3.630 11.272 0.702 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.247 9.439 2.248 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.893 12.754 1.687 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.612 12.483 -0.050 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.635 11.612 1.157 1.00 0.00 H new ATOM 728 N VAL A 64 2.521 7.452 -0.169 1.00 0.00 N ATOM 729 CA VAL A 64 3.219 6.166 -0.125 1.00 0.00 C ATOM 730 C VAL A 64 3.816 5.822 -1.464 1.00 0.00 C ATOM 731 O VAL A 64 3.575 4.764 -2.045 1.00 0.00 O ATOM 732 CB VAL A 64 2.336 5.033 0.386 1.00 0.00 C ATOM 733 CG1 VAL A 64 2.179 5.228 1.862 1.00 0.00 C ATOM 734 CG2 VAL A 64 0.983 5.013 -0.307 1.00 0.00 C ATOM 0 H VAL A 64 1.519 7.373 -0.341 1.00 0.00 H new ATOM 0 HA VAL A 64 4.030 6.281 0.594 1.00 0.00 H new ATOM 0 HB VAL A 64 2.801 4.071 0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.551 4.435 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.158 5.197 2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.713 6.194 2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.385 4.191 0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.467 5.956 -0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.125 4.878 -1.379 1.00 0.00 H new ATOM 744 N ALA A 65 4.595 6.753 -1.931 1.00 0.00 N ATOM 745 CA ALA A 65 5.147 6.705 -3.270 1.00 0.00 C ATOM 746 C ALA A 65 6.431 5.885 -3.315 1.00 0.00 C ATOM 747 O ALA A 65 6.950 5.460 -2.280 1.00 0.00 O ATOM 748 CB ALA A 65 5.387 8.114 -3.788 1.00 0.00 C ATOM 0 H ALA A 65 4.872 7.576 -1.397 1.00 0.00 H new ATOM 0 HA ALA A 65 4.422 6.211 -3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.802 8.066 -4.795 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.443 8.659 -3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.088 8.629 -3.131 1.00 0.00 H new ATOM 754 N ALA A 66 6.927 5.672 -4.529 1.00 0.00 N ATOM 755 CA ALA A 66 8.072 4.803 -4.772 1.00 0.00 C ATOM 756 C ALA A 66 9.291 5.217 -3.957 1.00 0.00 C ATOM 757 O ALA A 66 9.863 6.284 -4.178 1.00 0.00 O ATOM 758 CB ALA A 66 8.407 4.801 -6.254 1.00 0.00 C ATOM 0 H ALA A 66 6.545 6.098 -5.374 1.00 0.00 H new ATOM 0 HA ALA A 66 7.799 3.797 -4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.263 4.151 -6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.550 4.436 -6.820 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.648 5.815 -6.574 1.00 0.00 H new ATOM 764 N GLY A 67 9.686 4.370 -3.018 1.00 0.00 N ATOM 765 CA GLY A 67 10.856 4.662 -2.218 1.00 0.00 C ATOM 766 C GLY A 67 10.655 4.402 -0.738 1.00 0.00 C ATOM 767 O GLY A 67 11.631 4.309 0.008 1.00 0.00 O ATOM 0 H GLY A 67 9.220 3.490 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.691 4.059 -2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.133 5.706 -2.361 1.00 0.00 H new ATOM 771 N ASP A 68 9.407 4.276 -0.299 1.00 0.00 N ATOM 772 CA ASP A 68 9.143 4.072 1.122 1.00 0.00 C ATOM 773 C ASP A 68 8.955 2.600 1.427 1.00 0.00 C ATOM 774 O ASP A 68 8.562 1.821 0.564 1.00 0.00 O ATOM 775 CB ASP A 68 7.918 4.856 1.590 1.00 0.00 C ATOM 776 CG ASP A 68 8.242 6.292 1.945 1.00 0.00 C ATOM 777 OD1 ASP A 68 8.218 7.154 1.041 1.00 0.00 O ATOM 778 OD2 ASP A 68 8.516 6.572 3.129 1.00 0.00 O ATOM 0 H ASP A 68 8.578 4.310 -0.892 1.00 0.00 H new ATOM 0 HA ASP A 68 10.012 4.444 1.665 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.162 4.842 0.805 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.485 4.360 2.459 1.00 0.00 H new ATOM 783 N GLU A 69 9.226 2.232 2.662 1.00 0.00 N ATOM 784 CA GLU A 69 9.161 0.844 3.079 1.00 0.00 C ATOM 785 C GLU A 69 7.768 0.507 3.601 1.00 0.00 C ATOM 786 O GLU A 69 7.530 0.521 4.810 1.00 0.00 O ATOM 787 CB GLU A 69 10.214 0.564 4.158 1.00 0.00 C ATOM 788 CG GLU A 69 10.245 -0.883 4.623 1.00 0.00 C ATOM 789 CD GLU A 69 11.192 -1.114 5.783 1.00 0.00 C ATOM 790 OE1 GLU A 69 10.776 -0.912 6.946 1.00 0.00 O ATOM 791 OE2 GLU A 69 12.343 -1.520 5.538 1.00 0.00 O ATOM 0 H GLU A 69 9.496 2.880 3.402 1.00 0.00 H new ATOM 0 HA GLU A 69 9.368 0.213 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.197 0.833 3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.022 1.208 5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.240 -1.186 4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.539 -1.520 3.789 1.00 0.00 H new ATOM 798 N ILE A 70 6.838 0.243 2.688 1.00 0.00 N ATOM 799 CA ILE A 70 5.516 -0.231 3.069 1.00 0.00 C ATOM 800 C ILE A 70 5.645 -1.647 3.625 1.00 0.00 C ATOM 801 O ILE A 70 5.636 -2.636 2.891 1.00 0.00 O ATOM 802 CB ILE A 70 4.504 -0.181 1.887 1.00 0.00 C ATOM 803 CG1 ILE A 70 4.066 1.265 1.601 1.00 0.00 C ATOM 804 CG2 ILE A 70 3.272 -1.031 2.185 1.00 0.00 C ATOM 805 CD1 ILE A 70 5.170 2.191 1.136 1.00 0.00 C ATOM 0 H ILE A 70 6.977 0.349 1.683 1.00 0.00 H new ATOM 0 HA ILE A 70 5.116 0.433 3.835 1.00 0.00 H new ATOM 0 HB ILE A 70 5.009 -0.583 1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.284 1.248 0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.623 1.680 2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.581 -0.978 1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.574 -2.066 2.343 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.780 -0.656 3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.761 3.186 0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.945 2.246 1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.601 1.808 0.211 1.00 0.00 H new ATOM 817 N THR A 71 5.803 -1.718 4.932 1.00 0.00 N ATOM 818 CA THR A 71 6.142 -2.955 5.600 1.00 0.00 C ATOM 819 C THR A 71 4.898 -3.661 6.143 1.00 0.00 C ATOM 820 O THR A 71 4.950 -4.843 6.488 1.00 0.00 O ATOM 821 CB THR A 71 7.155 -2.689 6.739 1.00 0.00 C ATOM 822 OG1 THR A 71 7.544 -3.911 7.378 1.00 0.00 O ATOM 823 CG2 THR A 71 6.580 -1.730 7.771 1.00 0.00 C ATOM 0 H THR A 71 5.700 -0.920 5.559 1.00 0.00 H new ATOM 0 HA THR A 71 6.601 -3.616 4.865 1.00 0.00 H new ATOM 0 HB THR A 71 8.037 -2.232 6.289 1.00 0.00 H new ATOM 0 HG1 THR A 71 6.855 -4.592 7.229 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.313 -1.561 8.559 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.338 -0.782 7.291 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.676 -2.159 8.202 1.00 0.00 H new ATOM 831 N GLY A 72 3.772 -2.959 6.200 1.00 0.00 N ATOM 832 CA GLY A 72 2.578 -3.576 6.733 1.00 0.00 C ATOM 833 C GLY A 72 1.310 -3.148 6.031 1.00 0.00 C ATOM 834 O GLY A 72 1.113 -1.967 5.736 1.00 0.00 O ATOM 0 H GLY A 72 3.667 -1.992 5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.676 -4.659 6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.496 -3.334 7.793 1.00 0.00 H new ATOM 838 N VAL A 73 0.450 -4.123 5.777 1.00 0.00 N ATOM 839 CA VAL A 73 -0.837 -3.902 5.182 1.00 0.00 C ATOM 840 C VAL A 73 -1.909 -4.025 6.261 1.00 0.00 C ATOM 841 O VAL A 73 -2.027 -5.065 6.902 1.00 0.00 O ATOM 842 CB VAL A 73 -1.097 -4.933 4.055 1.00 0.00 C ATOM 843 CG1 VAL A 73 -0.317 -6.215 4.301 1.00 0.00 C ATOM 844 CG2 VAL A 73 -2.562 -5.266 3.981 1.00 0.00 C ATOM 0 H VAL A 73 0.641 -5.103 5.986 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.866 -2.904 4.745 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.769 -4.487 3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.517 -6.922 3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.749 -5.992 4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.624 -6.651 5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.730 -5.991 3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.888 -5.688 4.932 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.131 -4.360 3.773 1.00 0.00 H new ATOM 854 N ASN A 74 -2.650 -2.949 6.487 1.00 0.00 N ATOM 855 CA ASN A 74 -3.737 -2.943 7.469 1.00 0.00 C ATOM 856 C ASN A 74 -3.224 -3.382 8.844 1.00 0.00 C ATOM 857 O ASN A 74 -3.933 -4.023 9.618 1.00 0.00 O ATOM 858 CB ASN A 74 -4.883 -3.854 7.003 1.00 0.00 C ATOM 859 CG ASN A 74 -6.226 -3.478 7.612 1.00 0.00 C ATOM 860 OD1 ASN A 74 -6.304 -2.935 8.714 1.00 0.00 O ATOM 861 ND2 ASN A 74 -7.296 -3.769 6.892 1.00 0.00 N ATOM 0 H ASN A 74 -2.520 -2.061 6.002 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.118 -1.926 7.557 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.957 -3.808 5.916 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.648 -4.886 7.263 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.226 -3.543 7.246 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.192 -4.219 5.983 1.00 0.00 H new ATOM 868 N GLY A 75 -1.970 -3.055 9.121 1.00 0.00 N ATOM 869 CA GLY A 75 -1.396 -3.337 10.420 1.00 0.00 C ATOM 870 C GLY A 75 -0.549 -4.597 10.451 1.00 0.00 C ATOM 871 O GLY A 75 0.302 -4.746 11.330 1.00 0.00 O ATOM 0 H GLY A 75 -1.337 -2.597 8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.783 -2.490 10.729 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.200 -3.432 11.150 1.00 0.00 H new ATOM 875 N ARG A 76 -0.756 -5.505 9.502 1.00 0.00 N ATOM 876 CA ARG A 76 -0.014 -6.734 9.478 1.00 0.00 C ATOM 877 C ARG A 76 1.085 -6.688 8.422 1.00 0.00 C ATOM 878 O ARG A 76 0.832 -6.386 7.257 1.00 0.00 O ATOM 879 CB ARG A 76 -0.974 -7.894 9.242 1.00 0.00 C ATOM 880 CG ARG A 76 -2.021 -7.659 8.170 1.00 0.00 C ATOM 881 CD ARG A 76 -3.129 -8.699 8.243 1.00 0.00 C ATOM 882 NE ARG A 76 -4.098 -8.557 7.157 1.00 0.00 N ATOM 883 CZ ARG A 76 -5.258 -7.906 7.265 1.00 0.00 C ATOM 884 NH1 ARG A 76 -5.580 -7.280 8.391 1.00 0.00 N ATOM 885 NH2 ARG A 76 -6.100 -7.883 6.241 1.00 0.00 N ATOM 0 H ARG A 76 -1.433 -5.401 8.746 1.00 0.00 H new ATOM 0 HA ARG A 76 0.479 -6.879 10.439 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.393 -8.776 8.973 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.482 -8.121 10.179 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.446 -6.662 8.286 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.552 -7.693 7.187 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.691 -9.696 8.207 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.644 -8.611 9.200 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.873 -8.983 6.258 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.938 -7.294 9.184 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.469 -6.785 8.463 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.861 -8.362 5.373 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.987 -7.386 6.321 1.00 0.00 H new ATOM 899 N SER A 77 2.307 -6.984 8.852 1.00 0.00 N ATOM 900 CA SER A 77 3.488 -6.915 7.995 1.00 0.00 C ATOM 901 C SER A 77 3.347 -7.811 6.764 1.00 0.00 C ATOM 902 O SER A 77 2.742 -8.882 6.827 1.00 0.00 O ATOM 903 CB SER A 77 4.720 -7.322 8.804 1.00 0.00 C ATOM 904 OG SER A 77 4.849 -6.514 9.964 1.00 0.00 O ATOM 0 H SER A 77 2.508 -7.280 9.807 1.00 0.00 H new ATOM 0 HA SER A 77 3.596 -5.890 7.641 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.642 -8.370 9.092 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.614 -7.227 8.187 1.00 0.00 H new ATOM 0 HG SER A 77 5.642 -6.791 10.469 1.00 0.00 H new ATOM 910 N ILE A 78 3.914 -7.365 5.642 1.00 0.00 N ATOM 911 CA ILE A 78 3.832 -8.126 4.394 1.00 0.00 C ATOM 912 C ILE A 78 4.883 -9.220 4.395 1.00 0.00 C ATOM 913 O ILE A 78 4.799 -10.194 3.648 1.00 0.00 O ATOM 914 CB ILE A 78 4.023 -7.258 3.119 1.00 0.00 C ATOM 915 CG1 ILE A 78 5.504 -6.936 2.846 1.00 0.00 C ATOM 916 CG2 ILE A 78 3.208 -5.976 3.207 1.00 0.00 C ATOM 917 CD1 ILE A 78 6.151 -6.010 3.853 1.00 0.00 C ATOM 0 H ILE A 78 4.431 -6.488 5.571 1.00 0.00 H new ATOM 0 HA ILE A 78 2.824 -8.539 4.356 1.00 0.00 H new ATOM 0 HB ILE A 78 3.659 -7.849 2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.065 -7.870 2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.587 -6.487 1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.359 -5.386 2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.151 -6.223 3.307 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.530 -5.399 4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.192 -5.842 3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.621 -5.058 3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.107 -6.462 4.844 1.00 0.00 H new ATOM 929 N LYS A 79 5.863 -9.039 5.267 1.00 0.00 N ATOM 930 CA LYS A 79 6.992 -9.941 5.395 1.00 0.00 C ATOM 931 C LYS A 79 6.532 -11.330 5.833 1.00 0.00 C ATOM 932 O LYS A 79 7.200 -12.333 5.575 1.00 0.00 O ATOM 933 CB LYS A 79 7.970 -9.343 6.408 1.00 0.00 C ATOM 934 CG LYS A 79 9.225 -10.169 6.643 1.00 0.00 C ATOM 935 CD LYS A 79 10.116 -10.205 5.411 1.00 0.00 C ATOM 936 CE LYS A 79 11.409 -10.950 5.695 1.00 0.00 C ATOM 937 NZ LYS A 79 12.327 -10.948 4.525 1.00 0.00 N ATOM 0 H LYS A 79 5.895 -8.250 5.913 1.00 0.00 H new ATOM 0 HA LYS A 79 7.485 -10.057 4.430 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.263 -8.350 6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.453 -9.214 7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.782 -9.753 7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.945 -11.186 6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.587 -10.688 4.589 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.341 -9.188 5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.910 -10.493 6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.180 -11.979 5.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.448 -11.921 4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.925 -10.357 3.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.251 -10.565 4.809 1.00 0.00 H new ATOM 951 N GLY A 80 5.377 -11.380 6.484 1.00 0.00 N ATOM 952 CA GLY A 80 4.834 -12.640 6.940 1.00 0.00 C ATOM 953 C GLY A 80 4.169 -13.434 5.830 1.00 0.00 C ATOM 954 O GLY A 80 3.906 -14.624 5.993 1.00 0.00 O ATOM 0 H GLY A 80 4.806 -10.564 6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.634 -13.237 7.378 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.107 -12.452 7.730 1.00 0.00 H new ATOM 958 N LYS A 81 3.891 -12.791 4.699 1.00 0.00 N ATOM 959 CA LYS A 81 3.237 -13.477 3.598 1.00 0.00 C ATOM 960 C LYS A 81 3.900 -13.122 2.271 1.00 0.00 C ATOM 961 O LYS A 81 5.128 -13.144 2.166 1.00 0.00 O ATOM 962 CB LYS A 81 1.722 -13.188 3.569 1.00 0.00 C ATOM 963 CG LYS A 81 1.344 -11.714 3.493 1.00 0.00 C ATOM 964 CD LYS A 81 1.559 -10.991 4.812 1.00 0.00 C ATOM 965 CE LYS A 81 0.537 -11.400 5.863 1.00 0.00 C ATOM 966 NZ LYS A 81 0.883 -10.879 7.211 1.00 0.00 N ATOM 0 H LYS A 81 4.106 -11.809 4.525 1.00 0.00 H new ATOM 0 HA LYS A 81 3.354 -14.549 3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.286 -13.703 2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.269 -13.617 4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.936 -11.230 2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.298 -11.625 3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.562 -11.203 5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.500 -9.915 4.649 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.447 -11.031 5.574 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.472 -12.487 5.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.015 -10.765 7.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.519 -11.548 7.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.357 -9.958 7.116 1.00 0.00 H new ATOM 980 N THR A 82 3.104 -12.779 1.267 1.00 0.00 N ATOM 981 CA THR A 82 3.632 -12.598 -0.071 1.00 0.00 C ATOM 982 C THR A 82 2.924 -11.455 -0.791 1.00 0.00 C ATOM 983 O THR A 82 1.770 -11.157 -0.483 1.00 0.00 O ATOM 984 CB THR A 82 3.474 -13.890 -0.901 1.00 0.00 C ATOM 985 OG1 THR A 82 3.637 -15.037 -0.057 1.00 0.00 O ATOM 986 CG2 THR A 82 4.497 -13.946 -2.026 1.00 0.00 C ATOM 0 H THR A 82 2.100 -12.623 1.356 1.00 0.00 H new ATOM 0 HA THR A 82 4.690 -12.357 0.028 1.00 0.00 H new ATOM 0 HB THR A 82 2.475 -13.890 -1.336 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.764 -15.451 0.105 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.363 -14.866 -2.594 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.360 -13.089 -2.685 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.502 -13.923 -1.605 1.00 0.00 H new ATOM 994 N LYS A 83 3.622 -10.816 -1.725 1.00 0.00 N ATOM 995 CA LYS A 83 3.057 -9.746 -2.549 1.00 0.00 C ATOM 996 C LYS A 83 1.651 -10.081 -3.050 1.00 0.00 C ATOM 997 O LYS A 83 0.692 -9.361 -2.767 1.00 0.00 O ATOM 998 CB LYS A 83 3.968 -9.475 -3.752 1.00 0.00 C ATOM 999 CG LYS A 83 4.967 -10.594 -4.024 1.00 0.00 C ATOM 1000 CD LYS A 83 5.676 -10.435 -5.356 1.00 0.00 C ATOM 1001 CE LYS A 83 6.522 -9.177 -5.401 1.00 0.00 C ATOM 1002 NZ LYS A 83 7.525 -9.239 -6.491 1.00 0.00 N ATOM 0 H LYS A 83 4.598 -11.024 -1.934 1.00 0.00 H new ATOM 0 HA LYS A 83 2.987 -8.859 -1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.351 -9.326 -4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.513 -8.546 -3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.707 -10.617 -3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.447 -11.552 -4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.308 -11.304 -5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.939 -10.405 -6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.879 -8.309 -5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.029 -9.043 -4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.934 -8.295 -6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.279 -9.906 -6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.066 -9.560 -7.367 1.00 0.00 H new ATOM 1016 N VAL A 84 1.538 -11.175 -3.791 1.00 0.00 N ATOM 1017 CA VAL A 84 0.287 -11.588 -4.383 1.00 0.00 C ATOM 1018 C VAL A 84 -0.831 -11.698 -3.337 1.00 0.00 C ATOM 1019 O VAL A 84 -1.990 -11.377 -3.612 1.00 0.00 O ATOM 1020 CB VAL A 84 0.490 -12.926 -5.117 1.00 0.00 C ATOM 1021 CG1 VAL A 84 1.087 -13.973 -4.190 1.00 0.00 C ATOM 1022 CG2 VAL A 84 -0.808 -13.409 -5.697 1.00 0.00 C ATOM 0 H VAL A 84 2.319 -11.799 -3.995 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.026 -10.827 -5.097 1.00 0.00 H new ATOM 0 HB VAL A 84 1.194 -12.761 -5.933 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.220 -14.908 -4.735 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.053 -13.626 -3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.417 -14.137 -3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.646 -14.356 -6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.534 -13.551 -4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.187 -12.671 -6.404 1.00 0.00 H new ATOM 1032 N GLU A 85 -0.467 -12.118 -2.135 1.00 0.00 N ATOM 1033 CA GLU A 85 -1.422 -12.274 -1.051 1.00 0.00 C ATOM 1034 C GLU A 85 -1.798 -10.934 -0.441 1.00 0.00 C ATOM 1035 O GLU A 85 -2.967 -10.687 -0.158 1.00 0.00 O ATOM 1036 CB GLU A 85 -0.842 -13.184 0.032 1.00 0.00 C ATOM 1037 CG GLU A 85 -0.396 -14.536 -0.488 1.00 0.00 C ATOM 1038 CD GLU A 85 0.024 -15.474 0.622 1.00 0.00 C ATOM 1039 OE1 GLU A 85 -0.859 -16.102 1.238 1.00 0.00 O ATOM 1040 OE2 GLU A 85 1.241 -15.589 0.882 1.00 0.00 O ATOM 0 H GLU A 85 0.492 -12.359 -1.885 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.324 -12.724 -1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.008 -12.685 0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.591 -13.332 0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.209 -14.990 -1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.436 -14.400 -1.178 1.00 0.00 H new ATOM 1047 N VAL A 86 -0.815 -10.067 -0.241 1.00 0.00 N ATOM 1048 CA VAL A 86 -1.062 -8.795 0.422 1.00 0.00 C ATOM 1049 C VAL A 86 -1.949 -7.885 -0.420 1.00 0.00 C ATOM 1050 O VAL A 86 -2.819 -7.198 0.108 1.00 0.00 O ATOM 1051 CB VAL A 86 0.239 -8.058 0.796 1.00 0.00 C ATOM 1052 CG1 VAL A 86 1.075 -8.892 1.746 1.00 0.00 C ATOM 1053 CG2 VAL A 86 1.067 -7.700 -0.418 1.00 0.00 C ATOM 0 H VAL A 86 0.153 -10.219 -0.526 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.584 -9.038 1.347 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.059 -7.131 1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.988 -8.352 1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.507 -9.086 2.656 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.332 -9.838 1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.973 -7.183 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.338 -8.609 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.488 -7.050 -1.074 1.00 0.00 H new ATOM 1063 N ALA A 87 -1.712 -7.879 -1.724 1.00 0.00 N ATOM 1064 CA ALA A 87 -2.608 -7.205 -2.669 1.00 0.00 C ATOM 1065 C ALA A 87 -4.045 -7.674 -2.467 1.00 0.00 C ATOM 1066 O ALA A 87 -4.975 -6.869 -2.486 1.00 0.00 O ATOM 1067 CB ALA A 87 -2.178 -7.462 -4.102 1.00 0.00 C ATOM 0 H ALA A 87 -0.908 -8.332 -2.158 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.553 -6.133 -2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.859 -6.951 -4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.166 -7.086 -4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.200 -8.533 -4.302 1.00 0.00 H new ATOM 1073 N LYS A 88 -4.220 -8.978 -2.252 1.00 0.00 N ATOM 1074 CA LYS A 88 -5.538 -9.530 -1.980 1.00 0.00 C ATOM 1075 C LYS A 88 -6.055 -9.021 -0.642 1.00 0.00 C ATOM 1076 O LYS A 88 -7.198 -8.602 -0.534 1.00 0.00 O ATOM 1077 CB LYS A 88 -5.494 -11.050 -1.974 1.00 0.00 C ATOM 1078 CG LYS A 88 -6.803 -11.687 -1.568 1.00 0.00 C ATOM 1079 CD LYS A 88 -6.799 -13.166 -1.883 1.00 0.00 C ATOM 1080 CE LYS A 88 -8.108 -13.836 -1.493 1.00 0.00 C ATOM 1081 NZ LYS A 88 -8.345 -13.806 -0.025 1.00 0.00 N ATOM 0 H LYS A 88 -3.466 -9.665 -2.262 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.214 -9.205 -2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.220 -11.402 -2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.711 -11.381 -1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.970 -11.538 -0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.627 -11.201 -2.091 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.622 -13.309 -2.949 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.975 -13.647 -1.356 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.933 -13.338 -2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.100 -14.871 -1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.087 -14.492 0.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.466 -14.053 0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.648 -12.852 0.258 1.00 0.00 H new ATOM 1095 N MET A 89 -5.193 -9.059 0.366 1.00 0.00 N ATOM 1096 CA MET A 89 -5.522 -8.550 1.696 1.00 0.00 C ATOM 1097 C MET A 89 -5.996 -7.104 1.619 1.00 0.00 C ATOM 1098 O MET A 89 -6.881 -6.680 2.359 1.00 0.00 O ATOM 1099 CB MET A 89 -4.306 -8.668 2.611 1.00 0.00 C ATOM 1100 CG MET A 89 -3.839 -10.102 2.779 1.00 0.00 C ATOM 1101 SD MET A 89 -2.450 -10.286 3.910 1.00 0.00 S ATOM 1102 CE MET A 89 -2.327 -12.074 3.942 1.00 0.00 C ATOM 0 H MET A 89 -4.250 -9.441 0.288 1.00 0.00 H new ATOM 0 HA MET A 89 -6.334 -9.148 2.109 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.491 -8.070 2.205 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.550 -8.252 3.589 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.672 -10.706 3.140 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.557 -10.499 1.804 1.00 0.00 H new ATOM 0 HE1 MET A 89 -1.942 -12.395 4.910 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.313 -12.509 3.781 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.651 -12.406 3.154 1.00 0.00 H new ATOM 1112 N ILE A 90 -5.405 -6.362 0.700 1.00 0.00 N ATOM 1113 CA ILE A 90 -5.775 -4.981 0.461 1.00 0.00 C ATOM 1114 C ILE A 90 -7.099 -4.887 -0.302 1.00 0.00 C ATOM 1115 O ILE A 90 -8.001 -4.160 0.102 1.00 0.00 O ATOM 1116 CB ILE A 90 -4.640 -4.259 -0.301 1.00 0.00 C ATOM 1117 CG1 ILE A 90 -3.464 -4.044 0.658 1.00 0.00 C ATOM 1118 CG2 ILE A 90 -5.108 -2.937 -0.906 1.00 0.00 C ATOM 1119 CD1 ILE A 90 -2.163 -3.680 -0.018 1.00 0.00 C ATOM 0 H ILE A 90 -4.654 -6.701 0.098 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.920 -4.488 1.422 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.324 -4.883 -1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.726 -3.255 1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.315 -4.954 1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.279 -2.464 -1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.922 -3.125 -1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.458 -2.277 -0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.386 -3.547 0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.872 -4.478 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.290 -2.752 -0.576 1.00 0.00 H new ATOM 1131 N GLN A 91 -7.226 -5.640 -1.386 1.00 0.00 N ATOM 1132 CA GLN A 91 -8.440 -5.632 -2.191 1.00 0.00 C ATOM 1133 C GLN A 91 -9.644 -6.144 -1.408 1.00 0.00 C ATOM 1134 O GLN A 91 -10.728 -5.561 -1.478 1.00 0.00 O ATOM 1135 CB GLN A 91 -8.233 -6.481 -3.441 1.00 0.00 C ATOM 1136 CG GLN A 91 -7.322 -5.828 -4.457 1.00 0.00 C ATOM 1137 CD GLN A 91 -6.831 -6.789 -5.524 1.00 0.00 C ATOM 1138 OE1 GLN A 91 -6.685 -7.988 -5.279 1.00 0.00 O ATOM 1139 NE2 GLN A 91 -6.567 -6.268 -6.712 1.00 0.00 N ATOM 0 H GLN A 91 -6.499 -6.267 -1.730 1.00 0.00 H new ATOM 0 HA GLN A 91 -8.646 -4.600 -2.474 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -7.814 -7.445 -3.153 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.200 -6.679 -3.903 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -7.853 -5.005 -4.935 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.463 -5.397 -3.942 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -6.702 -5.270 -6.872 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -6.229 -6.865 -7.467 1.00 0.00 H new ATOM 1148 N GLU A 92 -9.424 -7.193 -0.631 1.00 0.00 N ATOM 1149 CA GLU A 92 -10.497 -7.938 0.018 1.00 0.00 C ATOM 1150 C GLU A 92 -11.244 -7.103 1.046 1.00 0.00 C ATOM 1151 O GLU A 92 -12.474 -7.124 1.092 1.00 0.00 O ATOM 1152 CB GLU A 92 -9.918 -9.184 0.675 1.00 0.00 C ATOM 1153 CG GLU A 92 -10.957 -10.079 1.315 1.00 0.00 C ATOM 1154 CD GLU A 92 -10.654 -11.546 1.110 1.00 0.00 C ATOM 1155 OE1 GLU A 92 -9.570 -11.997 1.531 1.00 0.00 O ATOM 1156 OE2 GLU A 92 -11.490 -12.257 0.514 1.00 0.00 O ATOM 0 H GLU A 92 -8.492 -7.555 -0.430 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.220 -8.218 -0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.371 -9.757 -0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -9.197 -8.881 1.434 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.008 -9.867 2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.937 -9.851 0.897 1.00 0.00 H new ATOM 1163 N VAL A 93 -10.496 -6.387 1.873 1.00 0.00 N ATOM 1164 CA VAL A 93 -11.093 -5.539 2.908 1.00 0.00 C ATOM 1165 C VAL A 93 -12.101 -4.556 2.308 1.00 0.00 C ATOM 1166 O VAL A 93 -13.081 -4.207 2.961 1.00 0.00 O ATOM 1167 CB VAL A 93 -10.026 -4.775 3.729 1.00 0.00 C ATOM 1168 CG1 VAL A 93 -9.067 -5.757 4.378 1.00 0.00 C ATOM 1169 CG2 VAL A 93 -9.269 -3.770 2.875 1.00 0.00 C ATOM 0 H VAL A 93 -9.476 -6.373 1.852 1.00 0.00 H new ATOM 0 HA VAL A 93 -11.619 -6.208 3.590 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.542 -4.213 4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -8.320 -5.210 4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.620 -6.422 5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.571 -6.345 3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.530 -3.255 3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.765 -4.291 2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.969 -3.043 2.463 1.00 0.00 H new ATOM 1179 N LYS A 94 -11.851 -4.134 1.062 1.00 0.00 N ATOM 1180 CA LYS A 94 -12.813 -3.360 0.267 1.00 0.00 C ATOM 1181 C LYS A 94 -13.089 -1.967 0.848 1.00 0.00 C ATOM 1182 O LYS A 94 -13.378 -1.813 2.033 1.00 0.00 O ATOM 1183 CB LYS A 94 -14.129 -4.137 0.144 1.00 0.00 C ATOM 1184 CG LYS A 94 -15.128 -3.518 -0.822 1.00 0.00 C ATOM 1185 CD LYS A 94 -16.500 -4.183 -0.745 1.00 0.00 C ATOM 1186 CE LYS A 94 -16.451 -5.677 -1.048 1.00 0.00 C ATOM 1187 NZ LYS A 94 -16.136 -6.492 0.159 1.00 0.00 N ATOM 0 H LYS A 94 -10.974 -4.320 0.576 1.00 0.00 H new ATOM 0 HA LYS A 94 -12.365 -3.213 -0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.909 -5.154 -0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -14.589 -4.209 1.129 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.230 -2.455 -0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -14.744 -3.599 -1.839 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -16.916 -4.033 0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -17.175 -3.696 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -17.411 -5.994 -1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.700 -5.865 -1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.251 -7.015 0.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -16.028 -5.866 0.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -16.909 -7.165 0.335 1.00 0.00 H new ATOM 1201 N GLY A 95 -13.003 -0.946 0.006 1.00 0.00 N ATOM 1202 CA GLY A 95 -13.419 0.378 0.423 1.00 0.00 C ATOM 1203 C GLY A 95 -12.273 1.257 0.873 1.00 0.00 C ATOM 1204 O GLY A 95 -12.148 2.393 0.422 1.00 0.00 O ATOM 0 H GLY A 95 -12.655 -1.010 -0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.937 0.865 -0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.137 0.285 1.238 1.00 0.00 H new ATOM 1208 N GLU A 96 -11.410 0.732 1.724 1.00 0.00 N ATOM 1209 CA GLU A 96 -10.382 1.537 2.329 1.00 0.00 C ATOM 1210 C GLU A 96 -9.062 0.798 2.324 1.00 0.00 C ATOM 1211 O GLU A 96 -8.980 -0.359 1.908 1.00 0.00 O ATOM 1212 CB GLU A 96 -10.773 1.891 3.757 1.00 0.00 C ATOM 1213 CG GLU A 96 -10.835 0.673 4.645 1.00 0.00 C ATOM 1214 CD GLU A 96 -11.278 0.989 6.054 1.00 0.00 C ATOM 1215 OE1 GLU A 96 -10.413 1.274 6.910 1.00 0.00 O ATOM 1216 OE2 GLU A 96 -12.497 0.945 6.319 1.00 0.00 O ATOM 0 H GLU A 96 -11.406 -0.248 2.007 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.271 2.454 1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -10.053 2.600 4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.743 2.388 3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.521 -0.053 4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.852 0.203 4.676 1.00 0.00 H new ATOM 1223 N VAL A 97 -8.045 1.479 2.798 1.00 0.00 N ATOM 1224 CA VAL A 97 -6.691 0.943 2.844 1.00 0.00 C ATOM 1225 C VAL A 97 -5.955 1.498 4.059 1.00 0.00 C ATOM 1226 O VAL A 97 -6.287 2.572 4.560 1.00 0.00 O ATOM 1227 CB VAL A 97 -5.865 1.302 1.579 1.00 0.00 C ATOM 1228 CG1 VAL A 97 -6.624 0.987 0.303 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -5.457 2.764 1.600 1.00 0.00 C ATOM 0 H VAL A 97 -8.127 2.427 3.166 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.787 -0.141 2.900 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.967 0.685 1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.012 1.252 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.855 -0.078 0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.551 1.560 0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.879 2.993 0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.349 3.390 1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.849 2.960 2.484 1.00 0.00 H new ATOM 1239 N THR A 98 -4.980 0.757 4.548 1.00 0.00 N ATOM 1240 CA THR A 98 -4.108 1.249 5.596 1.00 0.00 C ATOM 1241 C THR A 98 -2.683 0.760 5.358 1.00 0.00 C ATOM 1242 O THR A 98 -2.418 -0.442 5.374 1.00 0.00 O ATOM 1243 CB THR A 98 -4.609 0.814 6.982 1.00 0.00 C ATOM 1244 OG1 THR A 98 -5.984 1.195 7.129 1.00 0.00 O ATOM 1245 CG2 THR A 98 -3.781 1.452 8.086 1.00 0.00 C ATOM 0 H THR A 98 -4.772 -0.191 4.235 1.00 0.00 H new ATOM 0 HA THR A 98 -4.116 2.339 5.570 1.00 0.00 H new ATOM 0 HB THR A 98 -4.511 -0.268 7.064 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.308 0.918 8.011 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.157 1.127 9.056 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.739 1.149 7.981 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.853 2.537 8.014 1.00 0.00 H new ATOM 1253 N ILE A 99 -1.778 1.693 5.113 1.00 0.00 N ATOM 1254 CA ILE A 99 -0.403 1.363 4.771 1.00 0.00 C ATOM 1255 C ILE A 99 0.548 1.755 5.881 1.00 0.00 C ATOM 1256 O ILE A 99 0.587 2.913 6.289 1.00 0.00 O ATOM 1257 CB ILE A 99 0.089 2.046 3.467 1.00 0.00 C ATOM 1258 CG1 ILE A 99 -0.564 3.420 3.248 1.00 0.00 C ATOM 1259 CG2 ILE A 99 -0.128 1.151 2.259 1.00 0.00 C ATOM 1260 CD1 ILE A 99 -1.991 3.366 2.743 1.00 0.00 C ATOM 0 H ILE A 99 -1.973 2.694 5.145 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.403 0.283 4.621 1.00 0.00 H new ATOM 0 HB ILE A 99 1.160 2.210 3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.546 3.970 4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.038 3.985 2.536 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.227 1.658 1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.424 0.220 2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.191 0.931 2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.371 4.380 2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.019 2.847 1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.612 2.832 3.463 1.00 0.00 H new ATOM 1272 N HIS A 100 1.307 0.790 6.365 1.00 0.00 N ATOM 1273 CA HIS A 100 2.364 1.068 7.319 1.00 0.00 C ATOM 1274 C HIS A 100 3.678 1.133 6.568 1.00 0.00 C ATOM 1275 O HIS A 100 4.049 0.178 5.889 1.00 0.00 O ATOM 1276 CB HIS A 100 2.443 -0.022 8.380 1.00 0.00 C ATOM 1277 CG HIS A 100 2.891 0.474 9.719 1.00 0.00 C ATOM 1278 ND1 HIS A 100 2.014 0.782 10.736 1.00 0.00 N ATOM 1279 CD2 HIS A 100 4.131 0.708 10.212 1.00 0.00 C ATOM 1280 CE1 HIS A 100 2.692 1.183 11.793 1.00 0.00 C ATOM 1281 NE2 HIS A 100 3.977 1.148 11.502 1.00 0.00 N ATOM 0 H HIS A 100 1.211 -0.194 6.113 1.00 0.00 H new ATOM 0 HA HIS A 100 2.155 2.014 7.819 1.00 0.00 H new ATOM 0 HB2 HIS A 100 1.463 -0.487 8.484 1.00 0.00 H new ATOM 0 HB3 HIS A 100 3.130 -0.798 8.041 1.00 0.00 H new ATOM 0 HD2 HIS A 100 5.066 0.573 9.688 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.267 1.488 12.737 1.00 0.00 H new ATOM 0 HE2 HIS A 100 4.735 1.406 12.134 1.00 0.00 H new ATOM 1290 N TYR A 101 4.380 2.237 6.691 1.00 0.00 N ATOM 1291 CA TYR A 101 5.583 2.443 5.907 1.00 0.00 C ATOM 1292 C TYR A 101 6.671 3.146 6.706 1.00 0.00 C ATOM 1293 O TYR A 101 6.408 4.066 7.486 1.00 0.00 O ATOM 1294 CB TYR A 101 5.271 3.210 4.613 1.00 0.00 C ATOM 1295 CG TYR A 101 4.680 4.590 4.808 1.00 0.00 C ATOM 1296 CD1 TYR A 101 3.365 4.757 5.221 1.00 0.00 C ATOM 1297 CD2 TYR A 101 5.440 5.725 4.566 1.00 0.00 C ATOM 1298 CE1 TYR A 101 2.826 6.016 5.390 1.00 0.00 C ATOM 1299 CE2 TYR A 101 4.908 6.988 4.732 1.00 0.00 C ATOM 1300 CZ TYR A 101 3.602 7.128 5.144 1.00 0.00 C ATOM 1301 OH TYR A 101 3.068 8.384 5.312 1.00 0.00 O ATOM 0 H TYR A 101 4.143 3.003 7.321 1.00 0.00 H new ATOM 0 HA TYR A 101 5.965 1.458 5.639 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.190 3.304 4.035 1.00 0.00 H new ATOM 0 HB3 TYR A 101 4.578 2.617 4.016 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.754 3.887 5.413 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.465 5.619 4.242 1.00 0.00 H new ATOM 0 HE1 TYR A 101 1.802 6.129 5.713 1.00 0.00 H new ATOM 0 HE2 TYR A 101 5.513 7.862 4.540 1.00 0.00 H new ATOM 0 HH TYR A 101 3.746 9.059 5.099 1.00 0.00 H new ATOM 1311 N ASN A 102 7.893 2.687 6.501 1.00 0.00 N ATOM 1312 CA ASN A 102 9.060 3.222 7.176 1.00 0.00 C ATOM 1313 C ASN A 102 9.969 3.855 6.124 1.00 0.00 C ATOM 1314 O ASN A 102 9.735 3.681 4.930 1.00 0.00 O ATOM 1315 CB ASN A 102 9.779 2.103 7.943 1.00 0.00 C ATOM 1316 CG ASN A 102 8.836 1.271 8.786 1.00 0.00 C ATOM 1317 OD1 ASN A 102 7.868 1.780 9.358 1.00 0.00 O ATOM 1318 ND2 ASN A 102 9.095 -0.023 8.843 1.00 0.00 N ATOM 0 H ASN A 102 8.104 1.926 5.856 1.00 0.00 H new ATOM 0 HA ASN A 102 8.772 3.981 7.903 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.293 1.455 7.234 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.543 2.541 8.585 1.00 0.00 H new ATOM 0 HD21 ASN A 102 8.484 -0.643 9.375 1.00 0.00 H new ATOM 0 HD22 ASN A 102 9.906 -0.403 8.355 1.00 0.00 H new ATOM 1325 N LYS A 103 10.994 4.591 6.537 1.00 0.00 N ATOM 1326 CA LYS A 103 11.739 5.407 5.580 1.00 0.00 C ATOM 1327 C LYS A 103 13.179 4.953 5.415 1.00 0.00 C ATOM 1328 O LYS A 103 14.092 5.508 6.033 1.00 0.00 O ATOM 1329 CB LYS A 103 11.701 6.887 5.969 1.00 0.00 C ATOM 1330 CG LYS A 103 10.326 7.517 5.818 1.00 0.00 C ATOM 1331 CD LYS A 103 9.392 7.105 6.939 1.00 0.00 C ATOM 1332 CE LYS A 103 7.945 7.096 6.488 1.00 0.00 C ATOM 1333 NZ LYS A 103 7.018 6.959 7.639 1.00 0.00 N ATOM 0 H LYS A 103 11.324 4.642 7.501 1.00 0.00 H new ATOM 0 HA LYS A 103 11.242 5.275 4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 103 12.028 6.991 7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 103 12.413 7.435 5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 103 10.423 8.603 5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.895 7.225 4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.668 6.113 7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.507 7.790 7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.725 8.018 5.950 1.00 0.00 H new ATOM 0 HE3 LYS A 103 7.785 6.274 5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 6.128 7.455 7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 6.822 5.952 7.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 7.454 7.374 8.487 1.00 0.00 H new ATOM 1347 N LEU A 104 13.364 3.938 4.579 1.00 0.00 N ATOM 1348 CA LEU A 104 14.685 3.506 4.138 1.00 0.00 C ATOM 1349 C LEU A 104 14.575 2.349 3.163 1.00 0.00 C ATOM 1350 O LEU A 104 13.508 1.764 2.990 1.00 0.00 O ATOM 1351 CB LEU A 104 15.599 3.115 5.315 1.00 0.00 C ATOM 1352 CG LEU A 104 14.977 2.297 6.454 1.00 0.00 C ATOM 1353 CD1 LEU A 104 14.479 0.942 5.986 1.00 0.00 C ATOM 1354 CD2 LEU A 104 15.996 2.119 7.563 1.00 0.00 C ATOM 0 H LEU A 104 12.599 3.389 4.186 1.00 0.00 H new ATOM 0 HA LEU A 104 15.141 4.359 3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 104 16.439 2.548 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 104 16.007 4.031 5.743 1.00 0.00 H new ATOM 0 HG LEU A 104 14.112 2.848 6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.048 0.402 6.829 1.00 0.00 H new ATOM 0 HD12 LEU A 104 13.720 1.079 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 104 15.312 0.370 5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 104 15.555 1.538 8.373 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.869 1.595 7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.298 3.096 7.940 1.00 0.00 H new ATOM 1366 N GLN A 105 15.685 2.049 2.513 1.00 0.00 N ATOM 1367 CA GLN A 105 15.792 0.866 1.678 1.00 0.00 C ATOM 1368 C GLN A 105 16.675 -0.154 2.382 1.00 0.00 C ATOM 1369 O GLN A 105 17.118 -1.133 1.785 1.00 0.00 O ATOM 1370 CB GLN A 105 16.377 1.219 0.308 1.00 0.00 C ATOM 1371 CG GLN A 105 17.745 1.881 0.381 1.00 0.00 C ATOM 1372 CD GLN A 105 18.382 2.047 -0.983 1.00 0.00 C ATOM 1373 OE1 GLN A 105 18.190 3.061 -1.657 1.00 0.00 O ATOM 1374 NE2 GLN A 105 19.155 1.056 -1.395 1.00 0.00 N ATOM 0 H GLN A 105 16.533 2.615 2.548 1.00 0.00 H new ATOM 0 HA GLN A 105 14.799 0.447 1.518 1.00 0.00 H new ATOM 0 HB2 GLN A 105 16.454 0.311 -0.290 1.00 0.00 H new ATOM 0 HB3 GLN A 105 15.688 1.885 -0.211 1.00 0.00 H new ATOM 0 HG2 GLN A 105 17.648 2.858 0.854 1.00 0.00 H new ATOM 0 HG3 GLN A 105 18.401 1.284 1.015 1.00 0.00 H new ATOM 0 HE21 GLN A 105 19.287 0.234 -0.806 1.00 0.00 H new ATOM 0 HE22 GLN A 105 19.619 1.114 -2.302 1.00 0.00 H new ATOM 1383 N ALA A 106 16.917 0.113 3.664 1.00 0.00 N ATOM 1384 CA ALA A 106 17.791 -0.695 4.506 1.00 0.00 C ATOM 1385 C ALA A 106 19.251 -0.529 4.102 1.00 0.00 C ATOM 1386 O ALA A 106 19.570 -0.061 3.005 1.00 0.00 O ATOM 1387 CB ALA A 106 17.385 -2.165 4.492 1.00 0.00 C ATOM 0 H ALA A 106 16.505 0.908 4.152 1.00 0.00 H new ATOM 0 HA ALA A 106 17.680 -0.334 5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 106 18.060 -2.735 5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 106 16.365 -2.264 4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 106 17.440 -2.548 3.473 1.00 0.00 H new ATOM 1393 N ASP A 107 20.134 -0.920 4.999 1.00 0.00 N ATOM 1394 CA ASP A 107 21.572 -0.788 4.784 1.00 0.00 C ATOM 1395 C ASP A 107 22.205 -2.095 5.188 1.00 0.00 C ATOM 1396 O ASP A 107 21.606 -2.790 5.979 1.00 0.00 O ATOM 1397 CB ASP A 107 22.148 0.364 5.618 1.00 0.00 C ATOM 1398 CG ASP A 107 21.659 1.726 5.161 1.00 0.00 C ATOM 1399 OD1 ASP A 107 22.176 2.244 4.147 1.00 0.00 O ATOM 1400 OD2 ASP A 107 20.763 2.294 5.818 1.00 0.00 O ATOM 0 H ASP A 107 19.883 -1.337 5.895 1.00 0.00 H new ATOM 0 HA ASP A 107 21.779 -0.562 3.738 1.00 0.00 H new ATOM 0 HB2 ASP A 107 21.878 0.219 6.664 1.00 0.00 H new ATOM 0 HB3 ASP A 107 23.236 0.337 5.563 1.00 0.00 H new ATOM 1405 N PRO A 108 23.407 -2.437 4.679 1.00 0.00 N ATOM 1406 CA PRO A 108 24.037 -3.757 4.867 1.00 0.00 C ATOM 1407 C PRO A 108 23.676 -4.466 6.180 1.00 0.00 C ATOM 1408 O PRO A 108 23.226 -5.610 6.162 1.00 0.00 O ATOM 1409 CB PRO A 108 25.511 -3.396 4.838 1.00 0.00 C ATOM 1410 CG PRO A 108 25.601 -2.295 3.832 1.00 0.00 C ATOM 1411 CD PRO A 108 24.273 -1.567 3.858 1.00 0.00 C ATOM 0 HA PRO A 108 23.708 -4.472 4.112 1.00 0.00 H new ATOM 0 HB2 PRO A 108 25.860 -3.069 5.818 1.00 0.00 H new ATOM 0 HB3 PRO A 108 26.124 -4.250 4.549 1.00 0.00 H new ATOM 0 HG2 PRO A 108 26.419 -1.616 4.074 1.00 0.00 H new ATOM 0 HG3 PRO A 108 25.803 -2.695 2.838 1.00 0.00 H new ATOM 0 HD2 PRO A 108 24.371 -0.573 4.295 1.00 0.00 H new ATOM 0 HD3 PRO A 108 23.870 -1.435 2.854 1.00 0.00 H new ATOM 1419 N LYS A 109 23.840 -3.770 7.299 1.00 0.00 N ATOM 1420 CA LYS A 109 23.527 -4.320 8.625 1.00 0.00 C ATOM 1421 C LYS A 109 22.075 -4.787 8.731 1.00 0.00 C ATOM 1422 O LYS A 109 21.780 -5.847 9.275 1.00 0.00 O ATOM 1423 CB LYS A 109 23.773 -3.259 9.699 1.00 0.00 C ATOM 1424 CG LYS A 109 22.984 -1.975 9.479 1.00 0.00 C ATOM 1425 CD LYS A 109 23.130 -1.019 10.649 1.00 0.00 C ATOM 1426 CE LYS A 109 22.280 0.228 10.458 1.00 0.00 C ATOM 1427 NZ LYS A 109 22.380 1.151 11.618 1.00 0.00 N ATOM 0 H LYS A 109 24.192 -2.813 7.320 1.00 0.00 H new ATOM 0 HA LYS A 109 24.178 -5.182 8.773 1.00 0.00 H new ATOM 0 HB2 LYS A 109 23.513 -3.673 10.673 1.00 0.00 H new ATOM 0 HB3 LYS A 109 24.837 -3.022 9.727 1.00 0.00 H new ATOM 0 HG2 LYS A 109 23.328 -1.488 8.566 1.00 0.00 H new ATOM 0 HG3 LYS A 109 21.931 -2.215 9.335 1.00 0.00 H new ATOM 0 HD2 LYS A 109 22.838 -1.522 11.571 1.00 0.00 H new ATOM 0 HD3 LYS A 109 24.176 -0.734 10.759 1.00 0.00 H new ATOM 0 HE2 LYS A 109 22.596 0.747 9.553 1.00 0.00 H new ATOM 0 HE3 LYS A 109 21.239 -0.061 10.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 21.786 1.988 11.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 22.055 0.665 12.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 23.369 1.448 11.741 1.00 0.00 H new ATOM 1441 N GLN A 110 21.187 -3.960 8.227 1.00 0.00 N ATOM 1442 CA GLN A 110 19.758 -4.194 8.249 1.00 0.00 C ATOM 1443 C GLN A 110 19.361 -5.030 7.051 1.00 0.00 C ATOM 1444 O GLN A 110 18.385 -5.777 7.077 1.00 0.00 O ATOM 1445 CB GLN A 110 19.042 -2.852 8.176 1.00 0.00 C ATOM 1446 CG GLN A 110 19.145 -2.013 9.422 1.00 0.00 C ATOM 1447 CD GLN A 110 18.572 -0.625 9.236 1.00 0.00 C ATOM 1448 OE1 GLN A 110 18.599 -0.073 8.136 1.00 0.00 O ATOM 1449 NE2 GLN A 110 18.056 -0.049 10.310 1.00 0.00 N ATOM 0 H GLN A 110 21.445 -3.081 7.778 1.00 0.00 H new ATOM 0 HA GLN A 110 19.486 -4.720 9.164 1.00 0.00 H new ATOM 0 HB2 GLN A 110 19.448 -2.285 7.338 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.988 -3.029 7.960 1.00 0.00 H new ATOM 0 HG2 GLN A 110 18.621 -2.513 10.237 1.00 0.00 H new ATOM 0 HG3 GLN A 110 20.191 -1.934 9.717 1.00 0.00 H new ATOM 0 HE21 GLN A 110 18.054 -0.543 11.202 1.00 0.00 H new ATOM 0 HE22 GLN A 110 17.660 0.889 10.245 1.00 0.00 H new ATOM 1458 N LEU A 111 20.151 -4.892 6.005 1.00 0.00 N ATOM 1459 CA LEU A 111 19.876 -5.505 4.736 1.00 0.00 C ATOM 1460 C LEU A 111 19.978 -7.014 4.877 1.00 0.00 C ATOM 1461 O LEU A 111 19.067 -7.734 4.492 1.00 0.00 O ATOM 1462 CB LEU A 111 20.860 -4.955 3.690 1.00 0.00 C ATOM 1463 CG LEU A 111 20.638 -5.384 2.233 1.00 0.00 C ATOM 1464 CD1 LEU A 111 21.130 -6.802 1.998 1.00 0.00 C ATOM 1465 CD2 LEU A 111 19.169 -5.254 1.858 1.00 0.00 C ATOM 0 H LEU A 111 21.010 -4.343 6.020 1.00 0.00 H new ATOM 0 HA LEU A 111 18.865 -5.270 4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 111 20.826 -3.866 3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 111 21.867 -5.254 3.982 1.00 0.00 H new ATOM 0 HG LEU A 111 21.219 -4.720 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 111 20.960 -7.078 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 111 22.196 -6.859 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 111 20.588 -7.488 2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 111 19.029 -5.562 0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 111 18.570 -5.890 2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 111 18.854 -4.217 1.974 1.00 0.00 H new ATOM 1477 N GLU A 112 21.078 -7.476 5.473 1.00 0.00 N ATOM 1478 CA GLU A 112 21.294 -8.905 5.699 1.00 0.00 C ATOM 1479 C GLU A 112 20.187 -9.486 6.577 1.00 0.00 C ATOM 1480 O GLU A 112 19.820 -10.655 6.448 1.00 0.00 O ATOM 1481 CB GLU A 112 22.641 -9.123 6.380 1.00 0.00 C ATOM 1482 CG GLU A 112 22.786 -8.288 7.634 1.00 0.00 C ATOM 1483 CD GLU A 112 23.897 -8.760 8.543 1.00 0.00 C ATOM 1484 OE1 GLU A 112 23.661 -9.688 9.348 1.00 0.00 O ATOM 1485 OE2 GLU A 112 25.009 -8.194 8.475 1.00 0.00 O ATOM 0 H GLU A 112 21.834 -6.880 5.808 1.00 0.00 H new ATOM 0 HA GLU A 112 21.282 -9.410 4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 112 22.753 -10.178 6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 112 23.443 -8.875 5.685 1.00 0.00 H new ATOM 0 HG2 GLU A 112 22.972 -7.252 7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 112 21.845 -8.304 8.184 1.00 0.00 H new ATOM 1492 N VAL A 113 19.672 -8.651 7.472 1.00 0.00 N ATOM 1493 CA VAL A 113 18.603 -9.036 8.385 1.00 0.00 C ATOM 1494 C VAL A 113 17.330 -9.355 7.612 1.00 0.00 C ATOM 1495 O VAL A 113 16.689 -10.383 7.836 1.00 0.00 O ATOM 1496 CB VAL A 113 18.329 -7.900 9.399 1.00 0.00 C ATOM 1497 CG1 VAL A 113 17.120 -8.198 10.263 1.00 0.00 C ATOM 1498 CG2 VAL A 113 19.550 -7.664 10.269 1.00 0.00 C ATOM 0 H VAL A 113 19.985 -7.687 7.585 1.00 0.00 H new ATOM 0 HA VAL A 113 18.919 -9.928 8.926 1.00 0.00 H new ATOM 0 HB VAL A 113 18.114 -6.996 8.830 1.00 0.00 H new ATOM 0 HG11 VAL A 113 16.961 -7.377 10.962 1.00 0.00 H new ATOM 0 HG12 VAL A 113 16.240 -8.312 9.630 1.00 0.00 H new ATOM 0 HG13 VAL A 113 17.289 -9.120 10.819 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.342 -6.862 10.977 1.00 0.00 H new ATOM 0 HG22 VAL A 113 19.790 -8.577 10.814 1.00 0.00 H new ATOM 0 HG23 VAL A 113 20.396 -7.383 9.641 1.00 0.00 H new ATOM 1508 N LEU A 114 16.980 -8.473 6.691 1.00 0.00 N ATOM 1509 CA LEU A 114 15.791 -8.646 5.875 1.00 0.00 C ATOM 1510 C LEU A 114 16.077 -9.582 4.707 1.00 0.00 C ATOM 1511 O LEU A 114 15.163 -10.079 4.043 1.00 0.00 O ATOM 1512 CB LEU A 114 15.284 -7.293 5.370 1.00 0.00 C ATOM 1513 CG LEU A 114 14.401 -6.509 6.354 1.00 0.00 C ATOM 1514 CD1 LEU A 114 15.189 -6.071 7.578 1.00 0.00 C ATOM 1515 CD2 LEU A 114 13.778 -5.305 5.670 1.00 0.00 C ATOM 0 H LEU A 114 17.507 -7.624 6.489 1.00 0.00 H new ATOM 0 HA LEU A 114 15.012 -9.095 6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 114 16.144 -6.676 5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 114 14.719 -7.456 4.452 1.00 0.00 H new ATOM 0 HG LEU A 114 13.605 -7.175 6.687 1.00 0.00 H new ATOM 0 HD11 LEU A 114 14.535 -5.519 8.253 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.583 -6.949 8.091 1.00 0.00 H new ATOM 0 HD13 LEU A 114 16.015 -5.430 7.269 1.00 0.00 H new ATOM 0 HD21 LEU A 114 13.157 -4.763 6.383 1.00 0.00 H new ATOM 0 HD22 LEU A 114 14.566 -4.648 5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 114 13.164 -5.639 4.834 1.00 0.00 H new ATOM 1527 N PHE A 115 17.358 -9.829 4.479 1.00 0.00 N ATOM 1528 CA PHE A 115 17.809 -10.668 3.376 1.00 0.00 C ATOM 1529 C PHE A 115 17.851 -12.137 3.792 1.00 0.00 C ATOM 1530 O PHE A 115 18.764 -12.871 3.424 1.00 0.00 O ATOM 1531 CB PHE A 115 19.190 -10.220 2.902 1.00 0.00 C ATOM 1532 CG PHE A 115 19.552 -10.676 1.510 1.00 0.00 C ATOM 1533 CD1 PHE A 115 19.023 -10.034 0.402 1.00 0.00 C ATOM 1534 CD2 PHE A 115 20.425 -11.735 1.311 1.00 0.00 C ATOM 1535 CE1 PHE A 115 19.352 -10.442 -0.876 1.00 0.00 C ATOM 1536 CE2 PHE A 115 20.758 -12.147 0.034 1.00 0.00 C ATOM 1537 CZ PHE A 115 20.220 -11.500 -1.061 1.00 0.00 C ATOM 0 H PHE A 115 18.114 -9.455 5.052 1.00 0.00 H new ATOM 0 HA PHE A 115 17.099 -10.562 2.556 1.00 0.00 H new ATOM 0 HB2 PHE A 115 19.237 -9.132 2.938 1.00 0.00 H new ATOM 0 HB3 PHE A 115 19.939 -10.595 3.600 1.00 0.00 H new ATOM 0 HD1 PHE A 115 18.345 -9.204 0.539 1.00 0.00 H new ATOM 0 HD2 PHE A 115 20.850 -12.244 2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 115 18.930 -9.934 -1.731 1.00 0.00 H new ATOM 0 HE2 PHE A 115 21.438 -12.974 -0.107 1.00 0.00 H new ATOM 0 HZ PHE A 115 20.477 -11.821 -2.060 1.00 0.00 H new ATOM 1547 N GLN A 116 16.878 -12.555 4.588 1.00 0.00 N ATOM 1548 CA GLN A 116 16.760 -13.958 4.968 1.00 0.00 C ATOM 1549 C GLN A 116 16.611 -14.832 3.721 1.00 0.00 C ATOM 1550 O GLN A 116 16.958 -16.015 3.724 1.00 0.00 O ATOM 1551 CB GLN A 116 15.566 -14.157 5.903 1.00 0.00 C ATOM 1552 CG GLN A 116 15.349 -15.599 6.326 1.00 0.00 C ATOM 1553 CD GLN A 116 14.127 -15.772 7.200 1.00 0.00 C ATOM 1554 OE1 GLN A 116 14.208 -15.692 8.424 1.00 0.00 O ATOM 1555 NE2 GLN A 116 12.984 -16.008 6.579 1.00 0.00 N ATOM 0 H GLN A 116 16.161 -11.947 4.983 1.00 0.00 H new ATOM 0 HA GLN A 116 17.666 -14.254 5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 116 15.709 -13.545 6.794 1.00 0.00 H new ATOM 0 HB3 GLN A 116 14.665 -13.794 5.408 1.00 0.00 H new ATOM 0 HG2 GLN A 116 15.247 -16.223 5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 116 16.229 -15.952 6.864 1.00 0.00 H new ATOM 0 HE21 GLN A 116 12.959 -16.067 5.561 1.00 0.00 H new ATOM 0 HE22 GLN A 116 12.127 -16.131 7.118 1.00 0.00 H new ATOM 1564 N GLY A 117 16.120 -14.230 2.648 1.00 0.00 N ATOM 1565 CA GLY A 117 15.939 -14.948 1.408 1.00 0.00 C ATOM 1566 C GLY A 117 14.861 -14.335 0.531 1.00 0.00 C ATOM 1567 O GLY A 117 13.997 -15.058 0.033 1.00 0.00 O ATOM 0 H GLY A 117 15.842 -13.249 2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 117 16.882 -14.964 0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 117 15.679 -15.984 1.627 1.00 0.00 H new ATOM 1571 N PRO A 118 14.875 -12.996 0.322 1.00 0.00 N ATOM 1572 CA PRO A 118 13.914 -12.307 -0.543 1.00 0.00 C ATOM 1573 C PRO A 118 14.034 -12.709 -2.017 1.00 0.00 C ATOM 1574 O PRO A 118 13.377 -12.133 -2.884 1.00 0.00 O ATOM 1575 CB PRO A 118 14.280 -10.831 -0.377 1.00 0.00 C ATOM 1576 CG PRO A 118 15.688 -10.850 0.060 1.00 0.00 C ATOM 1577 CD PRO A 118 15.765 -12.027 0.962 1.00 0.00 C ATOM 0 HA PRO A 118 12.889 -12.552 -0.266 1.00 0.00 H new ATOM 0 HB2 PRO A 118 14.162 -10.284 -1.313 1.00 0.00 H new ATOM 0 HB3 PRO A 118 13.642 -10.344 0.360 1.00 0.00 H new ATOM 0 HG2 PRO A 118 16.368 -10.950 -0.786 1.00 0.00 H new ATOM 0 HG3 PRO A 118 15.958 -9.930 0.579 1.00 0.00 H new ATOM 0 HD2 PRO A 118 16.783 -12.407 1.042 1.00 0.00 H new ATOM 0 HD3 PRO A 118 15.435 -11.783 1.972 1.00 0.00 H new ATOM 1585 N GLN A 119 14.888 -13.690 -2.284 1.00 0.00 N ATOM 1586 CA GLN A 119 15.130 -14.176 -3.635 1.00 0.00 C ATOM 1587 C GLN A 119 13.989 -15.083 -4.095 1.00 0.00 C ATOM 1588 O GLN A 119 12.865 -14.966 -3.602 1.00 0.00 O ATOM 1589 CB GLN A 119 16.466 -14.923 -3.674 1.00 0.00 C ATOM 1590 CG GLN A 119 17.652 -14.047 -3.299 1.00 0.00 C ATOM 1591 CD GLN A 119 17.972 -12.996 -4.350 1.00 0.00 C ATOM 1592 OE1 GLN A 119 18.404 -11.890 -4.027 1.00 0.00 O ATOM 1593 NE2 GLN A 119 17.790 -13.340 -5.615 1.00 0.00 N ATOM 0 H GLN A 119 15.432 -14.171 -1.568 1.00 0.00 H new ATOM 0 HA GLN A 119 15.176 -13.328 -4.318 1.00 0.00 H new ATOM 0 HB2 GLN A 119 16.420 -15.773 -2.993 1.00 0.00 H new ATOM 0 HB3 GLN A 119 16.621 -15.325 -4.675 1.00 0.00 H new ATOM 0 HG2 GLN A 119 17.445 -13.552 -2.350 1.00 0.00 H new ATOM 0 HG3 GLN A 119 18.528 -14.677 -3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 119 17.430 -14.266 -5.845 1.00 0.00 H new ATOM 0 HE22 GLN A 119 18.010 -12.679 -6.360 1.00 0.00 H new ATOM 1602 N PHE A 120 14.282 -15.987 -5.035 1.00 0.00 N ATOM 1603 CA PHE A 120 13.257 -16.824 -5.661 1.00 0.00 C ATOM 1604 C PHE A 120 12.323 -15.929 -6.475 1.00 0.00 C ATOM 1605 O PHE A 120 11.121 -16.167 -6.594 1.00 0.00 O ATOM 1606 CB PHE A 120 12.487 -17.647 -4.608 1.00 0.00 C ATOM 1607 CG PHE A 120 11.481 -18.610 -5.183 1.00 0.00 C ATOM 1608 CD1 PHE A 120 11.881 -19.637 -6.024 1.00 0.00 C ATOM 1609 CD2 PHE A 120 10.134 -18.486 -4.878 1.00 0.00 C ATOM 1610 CE1 PHE A 120 10.956 -20.520 -6.549 1.00 0.00 C ATOM 1611 CE2 PHE A 120 9.207 -19.367 -5.399 1.00 0.00 C ATOM 1612 CZ PHE A 120 9.618 -20.385 -6.237 1.00 0.00 C ATOM 0 H PHE A 120 15.227 -16.157 -5.380 1.00 0.00 H new ATOM 0 HA PHE A 120 13.731 -17.544 -6.328 1.00 0.00 H new ATOM 0 HB2 PHE A 120 13.204 -18.206 -4.007 1.00 0.00 H new ATOM 0 HB3 PHE A 120 11.972 -16.962 -3.935 1.00 0.00 H new ATOM 0 HD1 PHE A 120 12.926 -19.748 -6.272 1.00 0.00 H new ATOM 0 HD2 PHE A 120 9.806 -17.691 -4.225 1.00 0.00 H new ATOM 0 HE1 PHE A 120 11.280 -21.316 -7.203 1.00 0.00 H new ATOM 0 HE2 PHE A 120 8.161 -19.260 -5.151 1.00 0.00 H new ATOM 0 HZ PHE A 120 8.894 -21.074 -6.647 1.00 0.00 H new ATOM 1622 N THR A 121 12.902 -14.879 -7.027 1.00 0.00 N ATOM 1623 CA THR A 121 12.160 -13.924 -7.816 1.00 0.00 C ATOM 1624 C THR A 121 12.069 -14.394 -9.262 1.00 0.00 C ATOM 1625 O THR A 121 12.986 -14.178 -10.055 1.00 0.00 O ATOM 1626 CB THR A 121 12.829 -12.537 -7.771 1.00 0.00 C ATOM 1627 OG1 THR A 121 13.151 -12.197 -6.416 1.00 0.00 O ATOM 1628 CG2 THR A 121 11.918 -11.468 -8.358 1.00 0.00 C ATOM 0 H THR A 121 13.896 -14.668 -6.939 1.00 0.00 H new ATOM 0 HA THR A 121 11.158 -13.845 -7.394 1.00 0.00 H new ATOM 0 HB THR A 121 13.740 -12.581 -8.369 1.00 0.00 H new ATOM 0 HG1 THR A 121 13.578 -11.315 -6.393 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.417 -10.500 -8.313 1.00 0.00 H new ATOM 0 HG22 THR A 121 11.693 -11.712 -9.396 1.00 0.00 H new ATOM 0 HG23 THR A 121 10.991 -11.426 -7.786 1.00 0.00 H new ATOM 1636 N LEU A 122 10.965 -15.049 -9.594 1.00 0.00 N ATOM 1637 CA LEU A 122 10.711 -15.478 -10.966 1.00 0.00 C ATOM 1638 C LEU A 122 10.186 -14.309 -11.801 1.00 0.00 C ATOM 1639 O LEU A 122 9.713 -14.484 -12.928 1.00 0.00 O ATOM 1640 CB LEU A 122 9.749 -16.676 -10.991 1.00 0.00 C ATOM 1641 CG LEU A 122 8.533 -16.582 -10.062 1.00 0.00 C ATOM 1642 CD1 LEU A 122 7.493 -15.623 -10.616 1.00 0.00 C ATOM 1643 CD2 LEU A 122 7.928 -17.958 -9.843 1.00 0.00 C ATOM 0 H LEU A 122 10.229 -15.296 -8.932 1.00 0.00 H new ATOM 0 HA LEU A 122 11.650 -15.807 -11.412 1.00 0.00 H new ATOM 0 HB2 LEU A 122 9.392 -16.808 -12.012 1.00 0.00 H new ATOM 0 HB3 LEU A 122 10.311 -17.573 -10.731 1.00 0.00 H new ATOM 0 HG LEU A 122 8.870 -16.192 -9.102 1.00 0.00 H new ATOM 0 HD11 LEU A 122 6.642 -15.577 -9.936 1.00 0.00 H new ATOM 0 HD12 LEU A 122 7.931 -14.630 -10.717 1.00 0.00 H new ATOM 0 HD13 LEU A 122 7.159 -15.973 -11.592 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.066 -17.875 -9.181 1.00 0.00 H new ATOM 0 HD22 LEU A 122 7.613 -18.373 -10.800 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.671 -18.614 -9.390 1.00 0.00 H new ATOM 1655 N ARG A 123 10.255 -13.124 -11.198 1.00 0.00 N ATOM 1656 CA ARG A 123 10.022 -11.856 -11.874 1.00 0.00 C ATOM 1657 C ARG A 123 8.549 -11.624 -12.186 1.00 0.00 C ATOM 1658 O ARG A 123 8.150 -11.564 -13.350 1.00 0.00 O ATOM 1659 CB ARG A 123 10.869 -11.748 -13.150 1.00 0.00 C ATOM 1660 CG ARG A 123 12.371 -11.812 -12.899 1.00 0.00 C ATOM 1661 CD ARG A 123 12.848 -10.671 -12.012 1.00 0.00 C ATOM 1662 NE ARG A 123 12.614 -9.363 -12.619 1.00 0.00 N ATOM 1663 CZ ARG A 123 12.975 -8.205 -12.067 1.00 0.00 C ATOM 1664 NH1 ARG A 123 13.576 -8.187 -10.884 1.00 0.00 N ATOM 1665 NH2 ARG A 123 12.738 -7.065 -12.703 1.00 0.00 N ATOM 0 H ARG A 123 10.479 -13.020 -10.208 1.00 0.00 H new ATOM 0 HA ARG A 123 10.331 -11.072 -11.183 1.00 0.00 H new ATOM 0 HB2 ARG A 123 10.589 -12.553 -13.830 1.00 0.00 H new ATOM 0 HB3 ARG A 123 10.634 -10.810 -13.653 1.00 0.00 H new ATOM 0 HG2 ARG A 123 12.620 -12.764 -12.431 1.00 0.00 H new ATOM 0 HG3 ARG A 123 12.900 -11.777 -13.851 1.00 0.00 H new ATOM 0 HD2 ARG A 123 12.334 -10.721 -11.052 1.00 0.00 H new ATOM 0 HD3 ARG A 123 13.913 -10.791 -11.811 1.00 0.00 H new ATOM 0 HE ARG A 123 12.144 -9.334 -13.524 1.00 0.00 H new ATOM 0 HH11 ARG A 123 13.763 -9.062 -10.394 1.00 0.00 H new ATOM 0 HH12 ARG A 123 13.851 -7.299 -10.465 1.00 0.00 H new ATOM 0 HH21 ARG A 123 12.280 -7.075 -13.614 1.00 0.00 H new ATOM 0 HH22 ARG A 123 13.014 -6.179 -12.281 1.00 0.00 H new ATOM 1679 N HIS A 124 7.740 -11.500 -11.144 1.00 0.00 N ATOM 1680 CA HIS A 124 6.385 -10.997 -11.299 1.00 0.00 C ATOM 1681 C HIS A 124 6.127 -9.896 -10.277 1.00 0.00 C ATOM 1682 O HIS A 124 6.366 -10.062 -9.077 1.00 0.00 O ATOM 1683 CB HIS A 124 5.309 -12.113 -11.253 1.00 0.00 C ATOM 1684 CG HIS A 124 5.200 -12.933 -9.990 1.00 0.00 C ATOM 1685 ND1 HIS A 124 4.447 -14.087 -9.930 1.00 0.00 N ATOM 1686 CD2 HIS A 124 5.714 -12.769 -8.746 1.00 0.00 C ATOM 1687 CE1 HIS A 124 4.502 -14.590 -8.713 1.00 0.00 C ATOM 1688 NE2 HIS A 124 5.263 -13.811 -7.974 1.00 0.00 N ATOM 0 H HIS A 124 7.998 -11.740 -10.187 1.00 0.00 H new ATOM 0 HA HIS A 124 6.299 -10.572 -12.299 1.00 0.00 H new ATOM 0 HB2 HIS A 124 4.339 -11.651 -11.437 1.00 0.00 H new ATOM 0 HB3 HIS A 124 5.499 -12.796 -12.081 1.00 0.00 H new ATOM 0 HD2 HIS A 124 6.360 -11.966 -8.422 1.00 0.00 H new ATOM 0 HE1 HIS A 124 4.006 -15.489 -8.379 1.00 0.00 H new ATOM 0 HE2 HIS A 124 5.482 -13.957 -6.989 1.00 0.00 H new ATOM 1697 N TRP A 125 5.688 -8.752 -10.766 1.00 0.00 N ATOM 1698 CA TRP A 125 5.505 -7.591 -9.921 1.00 0.00 C ATOM 1699 C TRP A 125 4.156 -7.639 -9.228 1.00 0.00 C ATOM 1700 O TRP A 125 3.239 -8.343 -9.659 1.00 0.00 O ATOM 1701 CB TRP A 125 5.643 -6.298 -10.735 1.00 0.00 C ATOM 1702 CG TRP A 125 4.624 -6.137 -11.828 1.00 0.00 C ATOM 1703 CD1 TRP A 125 3.430 -5.479 -11.744 1.00 0.00 C ATOM 1704 CD2 TRP A 125 4.714 -6.631 -13.169 1.00 0.00 C ATOM 1705 NE1 TRP A 125 2.775 -5.535 -12.949 1.00 0.00 N ATOM 1706 CE2 TRP A 125 3.542 -6.238 -13.840 1.00 0.00 C ATOM 1707 CE3 TRP A 125 5.673 -7.371 -13.868 1.00 0.00 C ATOM 1708 CZ2 TRP A 125 3.304 -6.556 -15.174 1.00 0.00 C ATOM 1709 CZ3 TRP A 125 5.437 -7.685 -15.192 1.00 0.00 C ATOM 1710 CH2 TRP A 125 4.260 -7.279 -15.833 1.00 0.00 C ATOM 0 H TRP A 125 5.451 -8.603 -11.747 1.00 0.00 H new ATOM 0 HA TRP A 125 6.284 -7.602 -9.159 1.00 0.00 H new ATOM 0 HB2 TRP A 125 5.568 -5.447 -10.057 1.00 0.00 H new ATOM 0 HB3 TRP A 125 6.639 -6.266 -11.177 1.00 0.00 H new ATOM 0 HD1 TRP A 125 3.056 -4.987 -10.859 1.00 0.00 H new ATOM 0 HE1 TRP A 125 1.865 -5.120 -13.149 1.00 0.00 H new ATOM 0 HE3 TRP A 125 6.582 -7.691 -13.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 2.397 -6.243 -15.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 6.172 -8.253 -15.742 1.00 0.00 H new ATOM 0 HH2 TRP A 125 4.104 -7.542 -16.869 1.00 0.00 H new ATOM 1721 N LEU A 126 4.054 -6.915 -8.135 1.00 0.00 N ATOM 1722 CA LEU A 126 2.809 -6.807 -7.413 1.00 0.00 C ATOM 1723 C LEU A 126 2.167 -5.483 -7.767 1.00 0.00 C ATOM 1724 O LEU A 126 2.851 -4.558 -8.191 1.00 0.00 O ATOM 1725 CB LEU A 126 3.069 -6.889 -5.912 1.00 0.00 C ATOM 1726 CG LEU A 126 1.907 -7.280 -5.024 1.00 0.00 C ATOM 1727 CD1 LEU A 126 1.200 -6.047 -4.568 1.00 0.00 C ATOM 1728 CD2 LEU A 126 0.962 -8.253 -5.726 1.00 0.00 C ATOM 0 H LEU A 126 4.826 -6.389 -7.726 1.00 0.00 H new ATOM 0 HA LEU A 126 2.142 -7.625 -7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.874 -7.605 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.435 -5.917 -5.580 1.00 0.00 H new ATOM 0 HG LEU A 126 2.290 -7.807 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.362 -6.324 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.891 -5.417 -4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.829 -5.499 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 126 0.141 -8.510 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.563 -7.787 -6.627 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.506 -9.158 -5.996 1.00 0.00 H new ATOM 1740 N LYS A 127 0.875 -5.384 -7.566 1.00 0.00 N ATOM 1741 CA LYS A 127 0.133 -4.215 -7.976 1.00 0.00 C ATOM 1742 C LYS A 127 -1.199 -4.154 -7.255 1.00 0.00 C ATOM 1743 O LYS A 127 -2.061 -5.017 -7.434 1.00 0.00 O ATOM 1744 CB LYS A 127 -0.074 -4.215 -9.497 1.00 0.00 C ATOM 1745 CG LYS A 127 -0.651 -5.515 -10.042 1.00 0.00 C ATOM 1746 CD LYS A 127 -0.774 -5.489 -11.557 1.00 0.00 C ATOM 1747 CE LYS A 127 -1.731 -4.406 -12.025 1.00 0.00 C ATOM 1748 NZ LYS A 127 -1.878 -4.400 -13.502 1.00 0.00 N ATOM 0 H LYS A 127 0.311 -6.106 -7.117 1.00 0.00 H new ATOM 0 HA LYS A 127 0.709 -3.329 -7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -0.740 -3.394 -9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.882 -4.021 -9.984 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -0.014 -6.348 -9.744 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.632 -5.690 -9.601 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.208 -5.322 -11.999 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -1.122 -6.460 -11.910 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -2.707 -4.559 -11.563 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.370 -3.433 -11.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -2.539 -3.647 -13.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -0.952 -4.229 -13.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -2.247 -5.320 -13.818 1.00 0.00 H new ATOM 1762 N VAL A 128 -1.332 -3.163 -6.406 1.00 0.00 N ATOM 1763 CA VAL A 128 -2.591 -2.852 -5.788 1.00 0.00 C ATOM 1764 C VAL A 128 -2.685 -1.331 -5.662 1.00 0.00 C ATOM 1765 O VAL A 128 -2.533 -0.776 -4.572 1.00 0.00 O ATOM 1766 CB VAL A 128 -2.805 -3.602 -4.444 1.00 0.00 C ATOM 1767 CG1 VAL A 128 -1.827 -3.183 -3.375 1.00 0.00 C ATOM 1768 CG2 VAL A 128 -4.234 -3.444 -3.980 1.00 0.00 C ATOM 1769 OXT VAL A 128 -2.855 -0.684 -6.708 1.00 0.00 O ATOM 0 H VAL A 128 -0.566 -2.550 -6.126 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.409 -3.209 -6.413 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.610 -4.658 -4.628 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -2.027 -3.741 -2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.811 -3.388 -3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.936 -2.116 -3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -4.371 -3.974 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.455 -2.386 -3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.908 -3.858 -4.730 1.00 0.00 H new TER 1779 VAL A 128