USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 688 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 24 THR OG1 : rot -61:sc= 0.25 USER MOD Set 1.2: A 66 CYS SG : rot -2:sc= 0.375 USER MOD Single : A 1 GLY N :NH3+ 148:sc= 0.00845 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0378 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0381) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 162:sc= -0.238 (180deg=-0.778) USER MOD Single : A 27 SER OG : rot -58:sc= 2.08 USER MOD Single : A 32 GLN : amide:sc= -0.387 X(o=-0.39,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00862 USER MOD Single : A 36 CYS SG : rot 170:sc= -0.702 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.693 K(o=0.69,f=-0.71) USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0725) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0695 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00278 USER MOD Single : A 56 MET CE :methyl -162:sc= -0.0995 (180deg=-1.38) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 63 MET CE :methyl -167:sc= -0.0952 (180deg=-0.454) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0123 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 78 GLN : amide:sc= 0.511 K(o=0.51,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 133:sc= 1.46 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.681 12.747 -33.225 1.00 0.00 N ATOM 2 CA GLY A 1 -5.843 12.761 -32.022 1.00 0.00 C ATOM 3 C GLY A 1 -5.123 11.438 -31.924 1.00 0.00 C ATOM 4 O GLY A 1 -5.753 10.382 -32.009 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.533 13.321 -33.061 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.146 13.141 -34.025 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.959 11.769 -33.443 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.125 13.580 -32.070 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.456 12.925 -31.136 1.00 0.00 H new ATOM 8 N SER A 2 -3.802 11.469 -31.810 1.00 0.00 N ATOM 9 CA SER A 2 -2.996 10.267 -31.734 1.00 0.00 C ATOM 10 C SER A 2 -2.970 9.734 -30.298 1.00 0.00 C ATOM 11 O SER A 2 -2.971 10.519 -29.349 1.00 0.00 O ATOM 12 CB SER A 2 -1.608 10.622 -32.269 1.00 0.00 C ATOM 13 OG SER A 2 -1.724 11.259 -33.538 1.00 0.00 O ATOM 0 H SER A 2 -3.262 12.333 -31.768 1.00 0.00 H new ATOM 0 HA SER A 2 -3.412 9.461 -32.338 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.096 11.281 -31.567 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.002 9.720 -32.359 1.00 0.00 H new ATOM 0 HG SER A 2 -0.831 11.485 -33.873 1.00 0.00 H new ATOM 19 N SER A 3 -2.929 8.411 -30.146 1.00 0.00 N ATOM 20 CA SER A 3 -2.902 7.706 -28.864 1.00 0.00 C ATOM 21 C SER A 3 -1.948 6.512 -28.978 1.00 0.00 C ATOM 22 O SER A 3 -1.583 6.138 -30.099 1.00 0.00 O ATOM 23 CB SER A 3 -4.326 7.244 -28.518 1.00 0.00 C ATOM 24 OG SER A 3 -5.220 8.341 -28.444 1.00 0.00 O ATOM 0 H SER A 3 -2.913 7.775 -30.944 1.00 0.00 H new ATOM 0 HA SER A 3 -2.548 8.362 -28.069 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.675 6.538 -29.272 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.317 6.714 -27.565 1.00 0.00 H new ATOM 0 HG SER A 3 -6.118 8.017 -28.224 1.00 0.00 H new ATOM 30 N GLY A 4 -1.567 5.882 -27.867 1.00 0.00 N ATOM 31 CA GLY A 4 -0.662 4.738 -27.853 1.00 0.00 C ATOM 32 C GLY A 4 0.030 4.589 -26.503 1.00 0.00 C ATOM 33 O GLY A 4 -0.068 5.472 -25.648 1.00 0.00 O ATOM 0 H GLY A 4 -1.885 6.158 -26.938 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.219 3.829 -28.079 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.087 4.856 -28.636 1.00 0.00 H new ATOM 37 N SER A 5 0.765 3.490 -26.331 1.00 0.00 N ATOM 38 CA SER A 5 1.493 3.148 -25.116 1.00 0.00 C ATOM 39 C SER A 5 2.980 2.915 -25.402 1.00 0.00 C ATOM 40 O SER A 5 3.373 2.635 -26.542 1.00 0.00 O ATOM 41 CB SER A 5 0.856 1.891 -24.500 1.00 0.00 C ATOM 42 OG SER A 5 -0.554 2.015 -24.367 1.00 0.00 O ATOM 0 H SER A 5 0.871 2.789 -27.064 1.00 0.00 H new ATOM 0 HA SER A 5 1.429 3.980 -24.414 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.086 1.027 -25.123 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.297 1.705 -23.521 1.00 0.00 H new ATOM 0 HG SER A 5 -0.919 1.195 -23.974 1.00 0.00 H new ATOM 48 N SER A 6 3.803 3.020 -24.357 1.00 0.00 N ATOM 49 CA SER A 6 5.248 2.821 -24.376 1.00 0.00 C ATOM 50 C SER A 6 5.799 2.930 -22.948 1.00 0.00 C ATOM 51 O SER A 6 5.078 3.337 -22.031 1.00 0.00 O ATOM 52 CB SER A 6 5.939 3.816 -25.331 1.00 0.00 C ATOM 53 OG SER A 6 5.349 5.105 -25.397 1.00 0.00 O ATOM 0 H SER A 6 3.458 3.259 -23.427 1.00 0.00 H new ATOM 0 HA SER A 6 5.463 1.822 -24.756 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.979 3.926 -25.024 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.947 3.387 -26.333 1.00 0.00 H new ATOM 0 HG SER A 6 5.854 5.664 -26.024 1.00 0.00 H new ATOM 59 N GLY A 7 7.072 2.553 -22.786 1.00 0.00 N ATOM 60 CA GLY A 7 7.871 2.562 -21.571 1.00 0.00 C ATOM 61 C GLY A 7 7.120 2.354 -20.273 1.00 0.00 C ATOM 62 O GLY A 7 6.872 3.322 -19.546 1.00 0.00 O ATOM 0 H GLY A 7 7.611 2.203 -23.578 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.631 1.785 -21.655 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.396 3.516 -21.514 1.00 0.00 H new ATOM 66 N PHE A 8 6.792 1.099 -19.981 1.00 0.00 N ATOM 67 CA PHE A 8 6.088 0.693 -18.774 1.00 0.00 C ATOM 68 C PHE A 8 7.062 -0.045 -17.847 1.00 0.00 C ATOM 69 O PHE A 8 8.244 -0.214 -18.176 1.00 0.00 O ATOM 70 CB PHE A 8 4.856 -0.122 -19.171 1.00 0.00 C ATOM 71 CG PHE A 8 3.824 -0.279 -18.078 1.00 0.00 C ATOM 72 CD1 PHE A 8 2.997 0.810 -17.742 1.00 0.00 C ATOM 73 CD2 PHE A 8 3.676 -1.512 -17.415 1.00 0.00 C ATOM 74 CE1 PHE A 8 2.017 0.662 -16.748 1.00 0.00 C ATOM 75 CE2 PHE A 8 2.698 -1.651 -16.417 1.00 0.00 C ATOM 76 CZ PHE A 8 1.861 -0.571 -16.094 1.00 0.00 C ATOM 0 H PHE A 8 7.016 0.317 -20.596 1.00 0.00 H new ATOM 0 HA PHE A 8 5.722 1.550 -18.209 1.00 0.00 H new ATOM 0 HB2 PHE A 8 4.385 0.353 -20.031 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.180 -1.112 -19.491 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.116 1.757 -18.248 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.311 -2.347 -17.673 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.383 1.496 -16.486 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.589 -2.591 -15.897 1.00 0.00 H new ATOM 0 HZ PHE A 8 1.096 -0.689 -15.341 1.00 0.00 H new ATOM 86 N GLU A 9 6.615 -0.421 -16.654 1.00 0.00 N ATOM 87 CA GLU A 9 7.445 -1.123 -15.680 1.00 0.00 C ATOM 88 C GLU A 9 7.758 -2.556 -16.134 1.00 0.00 C ATOM 89 O GLU A 9 7.028 -3.109 -16.971 1.00 0.00 O ATOM 90 CB GLU A 9 6.721 -1.144 -14.324 1.00 0.00 C ATOM 91 CG GLU A 9 6.922 0.176 -13.570 1.00 0.00 C ATOM 92 CD GLU A 9 6.487 0.047 -12.112 1.00 0.00 C ATOM 93 OE1 GLU A 9 7.252 -0.524 -11.305 1.00 0.00 O ATOM 94 OE2 GLU A 9 5.362 0.499 -11.770 1.00 0.00 O ATOM 0 H GLU A 9 5.663 -0.247 -16.333 1.00 0.00 H new ATOM 0 HA GLU A 9 8.394 -0.594 -15.588 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.656 -1.319 -14.479 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.095 -1.971 -13.721 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.971 0.468 -13.615 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.349 0.967 -14.055 1.00 0.00 H new ATOM 101 N PRO A 10 8.822 -3.174 -15.588 1.00 0.00 N ATOM 102 CA PRO A 10 9.217 -4.542 -15.909 1.00 0.00 C ATOM 103 C PRO A 10 8.246 -5.537 -15.250 1.00 0.00 C ATOM 104 O PRO A 10 7.244 -5.157 -14.636 1.00 0.00 O ATOM 105 CB PRO A 10 10.637 -4.674 -15.338 1.00 0.00 C ATOM 106 CG PRO A 10 10.587 -3.775 -14.108 1.00 0.00 C ATOM 107 CD PRO A 10 9.747 -2.607 -14.608 1.00 0.00 C ATOM 0 HA PRO A 10 9.193 -4.756 -16.977 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.874 -5.705 -15.077 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.393 -4.344 -16.051 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.126 -4.274 -13.255 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.581 -3.458 -13.793 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.207 -2.134 -13.788 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.374 -1.839 -15.061 1.00 0.00 H new ATOM 115 N ARG A 11 8.500 -6.837 -15.406 1.00 0.00 N ATOM 116 CA ARG A 11 7.682 -7.907 -14.817 1.00 0.00 C ATOM 117 C ARG A 11 8.450 -8.653 -13.726 1.00 0.00 C ATOM 118 O ARG A 11 8.167 -9.825 -13.449 1.00 0.00 O ATOM 119 CB ARG A 11 7.110 -8.839 -15.891 1.00 0.00 C ATOM 120 CG ARG A 11 8.179 -9.499 -16.764 1.00 0.00 C ATOM 121 CD ARG A 11 7.569 -10.665 -17.538 1.00 0.00 C ATOM 122 NE ARG A 11 8.434 -11.066 -18.654 1.00 0.00 N ATOM 123 CZ ARG A 11 8.035 -11.808 -19.686 1.00 0.00 C ATOM 124 NH1 ARG A 11 6.883 -12.461 -19.632 1.00 0.00 N ATOM 125 NH2 ARG A 11 8.784 -11.889 -20.774 1.00 0.00 N ATOM 0 H ARG A 11 9.289 -7.185 -15.951 1.00 0.00 H new ATOM 0 HA ARG A 11 6.822 -7.445 -14.331 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.518 -9.616 -15.408 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.432 -8.272 -16.529 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.596 -8.769 -17.458 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.001 -9.854 -16.142 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.418 -11.511 -16.868 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.588 -10.380 -17.918 1.00 0.00 H new ATOM 0 HE ARG A 11 9.406 -10.756 -18.638 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.299 -12.396 -18.798 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.581 -13.028 -20.424 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.668 -11.383 -20.823 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.477 -12.458 -21.563 1.00 0.00 H new ATOM 139 N SER A 12 9.499 -8.042 -13.190 1.00 0.00 N ATOM 140 CA SER A 12 10.314 -8.611 -12.144 1.00 0.00 C ATOM 141 C SER A 12 10.869 -7.465 -11.304 1.00 0.00 C ATOM 142 O SER A 12 10.867 -6.302 -11.720 1.00 0.00 O ATOM 143 CB SER A 12 11.434 -9.464 -12.758 1.00 0.00 C ATOM 144 OG SER A 12 11.624 -10.649 -12.006 1.00 0.00 O ATOM 0 H SER A 12 9.807 -7.115 -13.483 1.00 0.00 H new ATOM 0 HA SER A 12 9.725 -9.269 -11.504 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.184 -9.716 -13.788 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.361 -8.892 -12.786 1.00 0.00 H new ATOM 0 HG SER A 12 12.340 -11.182 -12.411 1.00 0.00 H new ATOM 150 N LEU A 13 11.310 -7.822 -10.108 1.00 0.00 N ATOM 151 CA LEU A 13 11.919 -7.011 -9.070 1.00 0.00 C ATOM 152 C LEU A 13 12.746 -8.013 -8.256 1.00 0.00 C ATOM 153 O LEU A 13 12.629 -9.228 -8.461 1.00 0.00 O ATOM 154 CB LEU A 13 10.857 -6.306 -8.198 1.00 0.00 C ATOM 155 CG LEU A 13 11.083 -4.802 -7.958 1.00 0.00 C ATOM 156 CD1 LEU A 13 12.426 -4.501 -7.289 1.00 0.00 C ATOM 157 CD2 LEU A 13 10.943 -3.990 -9.248 1.00 0.00 C ATOM 0 H LEU A 13 11.241 -8.795 -9.810 1.00 0.00 H new ATOM 0 HA LEU A 13 12.526 -6.202 -9.477 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.882 -6.438 -8.667 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.816 -6.808 -7.231 1.00 0.00 H new ATOM 0 HG LEU A 13 10.297 -4.495 -7.268 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.528 -3.425 -7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.471 -5.002 -6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.237 -4.861 -7.922 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.110 -2.934 -9.033 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.678 -4.333 -9.976 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.941 -4.123 -9.655 1.00 0.00 H new ATOM 169 N ILE A 14 13.574 -7.541 -7.330 1.00 0.00 N ATOM 170 CA ILE A 14 14.420 -8.383 -6.501 1.00 0.00 C ATOM 171 C ILE A 14 14.138 -8.028 -5.042 1.00 0.00 C ATOM 172 O ILE A 14 13.711 -6.913 -4.734 1.00 0.00 O ATOM 173 CB ILE A 14 15.907 -8.235 -6.920 1.00 0.00 C ATOM 174 CG1 ILE A 14 16.125 -8.325 -8.455 1.00 0.00 C ATOM 175 CG2 ILE A 14 16.766 -9.345 -6.282 1.00 0.00 C ATOM 176 CD1 ILE A 14 16.051 -6.980 -9.191 1.00 0.00 C ATOM 0 H ILE A 14 13.676 -6.545 -7.133 1.00 0.00 H new ATOM 0 HA ILE A 14 14.197 -9.441 -6.635 1.00 0.00 H new ATOM 0 HB ILE A 14 16.203 -7.244 -6.574 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.100 -8.775 -8.645 1.00 0.00 H new ATOM 0 HG13 ILE A 14 15.377 -8.996 -8.876 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.805 -9.223 -6.589 1.00 0.00 H new ATOM 0 HG22 ILE A 14 16.698 -9.279 -5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 14 16.403 -10.319 -6.610 1.00 0.00 H new ATOM 0 HD11 ILE A 14 16.215 -7.139 -10.257 1.00 0.00 H new ATOM 0 HD12 ILE A 14 15.068 -6.535 -9.037 1.00 0.00 H new ATOM 0 HD13 ILE A 14 16.818 -6.310 -8.802 1.00 0.00 H new ATOM 188 N THR A 15 14.328 -8.997 -4.156 1.00 0.00 N ATOM 189 CA THR A 15 14.132 -8.871 -2.722 1.00 0.00 C ATOM 190 C THR A 15 15.414 -8.311 -2.086 1.00 0.00 C ATOM 191 O THR A 15 16.441 -8.115 -2.757 1.00 0.00 O ATOM 192 CB THR A 15 13.770 -10.264 -2.158 1.00 0.00 C ATOM 193 OG1 THR A 15 14.702 -11.250 -2.588 1.00 0.00 O ATOM 194 CG2 THR A 15 12.362 -10.708 -2.572 1.00 0.00 C ATOM 0 H THR A 15 14.636 -9.930 -4.431 1.00 0.00 H new ATOM 0 HA THR A 15 13.320 -8.182 -2.492 1.00 0.00 H new ATOM 0 HB THR A 15 13.804 -10.170 -1.073 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.451 -12.121 -2.216 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.153 -11.692 -2.152 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.630 -9.991 -2.199 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.301 -10.757 -3.659 1.00 0.00 H new ATOM 202 N SER A 16 15.384 -8.035 -0.787 1.00 0.00 N ATOM 203 CA SER A 16 16.526 -7.542 -0.034 1.00 0.00 C ATOM 204 C SER A 16 16.532 -8.342 1.263 1.00 0.00 C ATOM 205 O SER A 16 17.502 -9.058 1.525 1.00 0.00 O ATOM 206 CB SER A 16 16.492 -6.020 0.109 1.00 0.00 C ATOM 207 OG SER A 16 17.782 -5.539 0.419 1.00 0.00 O ATOM 0 H SER A 16 14.546 -8.151 -0.218 1.00 0.00 H new ATOM 0 HA SER A 16 17.479 -7.698 -0.540 1.00 0.00 H new ATOM 0 HB2 SER A 16 16.138 -5.567 -0.817 1.00 0.00 H new ATOM 0 HB3 SER A 16 15.790 -5.735 0.892 1.00 0.00 H new ATOM 0 HG SER A 16 17.755 -4.563 0.508 1.00 0.00 H new ATOM 213 N ASP A 17 15.447 -8.251 2.035 1.00 0.00 N ATOM 214 CA ASP A 17 15.261 -8.994 3.275 1.00 0.00 C ATOM 215 C ASP A 17 14.174 -10.027 2.969 1.00 0.00 C ATOM 216 O ASP A 17 13.320 -9.787 2.104 1.00 0.00 O ATOM 217 CB ASP A 17 14.898 -8.085 4.459 1.00 0.00 C ATOM 218 CG ASP A 17 14.919 -8.848 5.788 1.00 0.00 C ATOM 219 OD1 ASP A 17 15.732 -9.792 5.929 1.00 0.00 O ATOM 220 OD2 ASP A 17 14.134 -8.505 6.706 1.00 0.00 O ATOM 0 H ASP A 17 14.659 -7.645 1.807 1.00 0.00 H new ATOM 0 HA ASP A 17 16.186 -9.476 3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 17 15.600 -7.252 4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.908 -7.659 4.300 1.00 0.00 H new ATOM 225 N LYS A 18 14.170 -11.175 3.651 1.00 0.00 N ATOM 226 CA LYS A 18 13.193 -12.236 3.412 1.00 0.00 C ATOM 227 C LYS A 18 12.389 -12.513 4.671 1.00 0.00 C ATOM 228 O LYS A 18 12.702 -13.440 5.417 1.00 0.00 O ATOM 229 CB LYS A 18 13.891 -13.498 2.877 1.00 0.00 C ATOM 230 CG LYS A 18 14.619 -13.283 1.542 1.00 0.00 C ATOM 231 CD LYS A 18 15.059 -14.643 0.981 1.00 0.00 C ATOM 232 CE LYS A 18 16.006 -14.543 -0.222 1.00 0.00 C ATOM 233 NZ LYS A 18 17.314 -13.945 0.111 1.00 0.00 N ATOM 0 H LYS A 18 14.845 -11.394 4.384 1.00 0.00 H new ATOM 0 HA LYS A 18 12.489 -11.907 2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.608 -13.848 3.619 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.150 -14.287 2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.962 -12.779 0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.486 -12.638 1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.551 -15.209 1.772 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.174 -15.208 0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.165 -15.540 -0.634 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.530 -13.948 -1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.941 -13.999 -0.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.182 -12.949 0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.742 -14.465 0.904 1.00 0.00 H new ATOM 247 N GLY A 19 11.330 -11.741 4.895 1.00 0.00 N ATOM 248 CA GLY A 19 10.463 -11.894 6.052 1.00 0.00 C ATOM 249 C GLY A 19 9.071 -11.400 5.704 1.00 0.00 C ATOM 250 O GLY A 19 8.187 -12.216 5.434 1.00 0.00 O ATOM 0 H GLY A 19 11.049 -10.985 4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.425 -12.940 6.356 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.861 -11.331 6.896 1.00 0.00 H new ATOM 254 N PHE A 20 8.897 -10.082 5.695 1.00 0.00 N ATOM 255 CA PHE A 20 7.663 -9.364 5.387 1.00 0.00 C ATOM 256 C PHE A 20 7.998 -8.202 4.450 1.00 0.00 C ATOM 257 O PHE A 20 9.171 -7.934 4.188 1.00 0.00 O ATOM 258 CB PHE A 20 7.017 -8.853 6.689 1.00 0.00 C ATOM 259 CG PHE A 20 5.779 -9.615 7.113 1.00 0.00 C ATOM 260 CD1 PHE A 20 5.888 -10.901 7.674 1.00 0.00 C ATOM 261 CD2 PHE A 20 4.509 -9.030 6.949 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.733 -11.596 8.073 1.00 0.00 C ATOM 263 CE2 PHE A 20 3.357 -9.727 7.348 1.00 0.00 C ATOM 264 CZ PHE A 20 3.467 -11.008 7.913 1.00 0.00 C ATOM 0 H PHE A 20 9.663 -9.446 5.917 1.00 0.00 H new ATOM 0 HA PHE A 20 6.950 -10.027 4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.754 -8.905 7.491 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.757 -7.802 6.563 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.860 -11.355 7.798 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.421 -8.045 6.516 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.819 -12.583 8.503 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.384 -9.277 7.220 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.580 -11.540 8.224 1.00 0.00 H new ATOM 274 N VAL A 21 6.977 -7.523 3.931 1.00 0.00 N ATOM 275 CA VAL A 21 7.130 -6.386 3.035 1.00 0.00 C ATOM 276 C VAL A 21 5.983 -5.408 3.326 1.00 0.00 C ATOM 277 O VAL A 21 4.952 -5.783 3.889 1.00 0.00 O ATOM 278 CB VAL A 21 7.266 -6.886 1.577 1.00 0.00 C ATOM 279 CG1 VAL A 21 6.011 -7.541 0.987 1.00 0.00 C ATOM 280 CG2 VAL A 21 7.734 -5.788 0.619 1.00 0.00 C ATOM 0 H VAL A 21 6.003 -7.755 4.127 1.00 0.00 H new ATOM 0 HA VAL A 21 8.049 -5.824 3.200 1.00 0.00 H new ATOM 0 HB VAL A 21 8.026 -7.663 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.212 -7.856 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.738 -8.409 1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.190 -6.824 0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.812 -6.194 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.015 -4.969 0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.709 -5.418 0.938 1.00 0.00 H new ATOM 290 N THR A 22 6.181 -4.126 3.039 1.00 0.00 N ATOM 291 CA THR A 22 5.192 -3.072 3.247 1.00 0.00 C ATOM 292 C THR A 22 4.666 -2.642 1.865 1.00 0.00 C ATOM 293 O THR A 22 5.310 -2.905 0.844 1.00 0.00 O ATOM 294 CB THR A 22 5.824 -1.937 4.082 1.00 0.00 C ATOM 295 OG1 THR A 22 6.633 -2.470 5.126 1.00 0.00 O ATOM 296 CG2 THR A 22 4.797 -1.017 4.759 1.00 0.00 C ATOM 0 H THR A 22 7.056 -3.781 2.645 1.00 0.00 H new ATOM 0 HA THR A 22 4.331 -3.410 3.824 1.00 0.00 H new ATOM 0 HB THR A 22 6.403 -1.357 3.363 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.026 -1.736 5.643 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.318 -0.246 5.326 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.172 -0.548 3.999 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.172 -1.603 5.433 1.00 0.00 H new ATOM 304 N MET A 23 3.463 -2.073 1.807 1.00 0.00 N ATOM 305 CA MET A 23 2.826 -1.599 0.583 1.00 0.00 C ATOM 306 C MET A 23 2.287 -0.202 0.850 1.00 0.00 C ATOM 307 O MET A 23 1.641 0.027 1.882 1.00 0.00 O ATOM 308 CB MET A 23 1.684 -2.545 0.191 1.00 0.00 C ATOM 309 CG MET A 23 2.173 -3.724 -0.649 1.00 0.00 C ATOM 310 SD MET A 23 2.534 -3.278 -2.370 1.00 0.00 S ATOM 311 CE MET A 23 1.771 -4.674 -3.240 1.00 0.00 C ATOM 0 H MET A 23 2.889 -1.925 2.637 1.00 0.00 H new ATOM 0 HA MET A 23 3.542 -1.574 -0.238 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.199 -2.920 1.093 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.931 -1.990 -0.369 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.072 -4.139 -0.192 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.417 -4.509 -0.635 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.618 -4.411 -4.287 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.425 -5.544 -3.177 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.811 -4.908 -2.781 1.00 0.00 H new ATOM 321 N THR A 24 2.550 0.732 -0.062 1.00 0.00 N ATOM 322 CA THR A 24 2.107 2.118 0.032 1.00 0.00 C ATOM 323 C THR A 24 1.053 2.349 -1.052 1.00 0.00 C ATOM 324 O THR A 24 1.156 1.789 -2.147 1.00 0.00 O ATOM 325 CB THR A 24 3.304 3.075 -0.116 1.00 0.00 C ATOM 326 OG1 THR A 24 4.463 2.542 0.484 1.00 0.00 O ATOM 327 CG2 THR A 24 3.050 4.401 0.600 1.00 0.00 C ATOM 0 H THR A 24 3.090 0.540 -0.906 1.00 0.00 H new ATOM 0 HA THR A 24 1.666 2.318 1.009 1.00 0.00 H new ATOM 0 HB THR A 24 3.436 3.218 -1.189 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.304 2.408 1.442 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.915 5.053 0.476 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.169 4.881 0.174 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.885 4.216 1.661 1.00 0.00 H new ATOM 335 N LEU A 25 0.046 3.165 -0.745 1.00 0.00 N ATOM 336 CA LEU A 25 -1.054 3.502 -1.632 1.00 0.00 C ATOM 337 C LEU A 25 -1.244 5.009 -1.530 1.00 0.00 C ATOM 338 O LEU A 25 -1.367 5.507 -0.409 1.00 0.00 O ATOM 339 CB LEU A 25 -2.310 2.737 -1.186 1.00 0.00 C ATOM 340 CG LEU A 25 -3.444 2.794 -2.218 1.00 0.00 C ATOM 341 CD1 LEU A 25 -3.161 1.849 -3.388 1.00 0.00 C ATOM 342 CD2 LEU A 25 -4.766 2.382 -1.562 1.00 0.00 C ATOM 0 H LEU A 25 -0.024 3.624 0.163 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.856 3.224 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.048 1.696 -1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.664 3.150 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.512 3.816 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.978 1.906 -4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.229 2.140 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.074 0.828 -3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.567 2.425 -2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.680 1.366 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.992 3.062 -0.741 1.00 0.00 H new ATOM 354 N GLU A 26 -1.268 5.727 -2.653 1.00 0.00 N ATOM 355 CA GLU A 26 -1.419 7.183 -2.697 1.00 0.00 C ATOM 356 C GLU A 26 -2.717 7.560 -3.411 1.00 0.00 C ATOM 357 O GLU A 26 -2.973 7.091 -4.522 1.00 0.00 O ATOM 358 CB GLU A 26 -0.176 7.827 -3.337 1.00 0.00 C ATOM 359 CG GLU A 26 1.066 7.593 -2.462 1.00 0.00 C ATOM 360 CD GLU A 26 2.317 8.293 -2.995 1.00 0.00 C ATOM 361 OE1 GLU A 26 3.003 7.724 -3.879 1.00 0.00 O ATOM 362 OE2 GLU A 26 2.698 9.358 -2.449 1.00 0.00 O ATOM 0 H GLU A 26 -1.181 5.305 -3.577 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.492 7.575 -1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.013 7.407 -4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.340 8.897 -3.466 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.862 7.946 -1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.258 6.522 -2.393 1.00 0.00 H new ATOM 369 N SER A 27 -3.535 8.368 -2.736 1.00 0.00 N ATOM 370 CA SER A 27 -4.839 8.869 -3.161 1.00 0.00 C ATOM 371 C SER A 27 -4.735 10.129 -4.033 1.00 0.00 C ATOM 372 O SER A 27 -3.678 10.763 -4.108 1.00 0.00 O ATOM 373 CB SER A 27 -5.631 9.210 -1.887 1.00 0.00 C ATOM 374 OG SER A 27 -5.524 8.183 -0.914 1.00 0.00 O ATOM 0 H SER A 27 -3.283 8.714 -1.810 1.00 0.00 H new ATOM 0 HA SER A 27 -5.327 8.104 -3.765 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.263 10.147 -1.469 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.680 9.364 -2.140 1.00 0.00 H new ATOM 0 HG SER A 27 -5.847 7.339 -1.293 1.00 0.00 H new ATOM 380 N LEU A 28 -5.845 10.517 -4.670 1.00 0.00 N ATOM 381 CA LEU A 28 -5.943 11.701 -5.527 1.00 0.00 C ATOM 382 C LEU A 28 -6.108 12.980 -4.696 1.00 0.00 C ATOM 383 O LEU A 28 -5.818 14.066 -5.198 1.00 0.00 O ATOM 384 CB LEU A 28 -7.142 11.587 -6.491 1.00 0.00 C ATOM 385 CG LEU A 28 -7.052 10.490 -7.571 1.00 0.00 C ATOM 386 CD1 LEU A 28 -8.289 10.587 -8.475 1.00 0.00 C ATOM 387 CD2 LEU A 28 -5.796 10.611 -8.444 1.00 0.00 C ATOM 0 H LEU A 28 -6.723 10.002 -4.601 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.015 11.756 -6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.040 11.411 -5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.272 12.547 -6.990 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.001 9.530 -7.057 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.239 9.816 -9.244 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.189 10.444 -7.877 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.319 11.569 -8.947 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.789 9.811 -9.185 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.797 11.576 -8.951 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.908 10.532 -7.817 1.00 0.00 H new ATOM 399 N GLU A 29 -6.608 12.880 -3.464 1.00 0.00 N ATOM 400 CA GLU A 29 -6.822 13.980 -2.536 1.00 0.00 C ATOM 401 C GLU A 29 -6.808 13.386 -1.116 1.00 0.00 C ATOM 402 O GLU A 29 -6.732 12.166 -0.952 1.00 0.00 O ATOM 403 CB GLU A 29 -8.148 14.702 -2.863 1.00 0.00 C ATOM 404 CG GLU A 29 -8.111 16.167 -2.394 1.00 0.00 C ATOM 405 CD GLU A 29 -9.399 16.950 -2.659 1.00 0.00 C ATOM 406 OE1 GLU A 29 -10.482 16.347 -2.846 1.00 0.00 O ATOM 407 OE2 GLU A 29 -9.380 18.200 -2.653 1.00 0.00 O ATOM 0 H GLU A 29 -6.888 11.981 -3.071 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.038 14.733 -2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.331 14.665 -3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.977 14.183 -2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.901 16.188 -1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.284 16.674 -2.891 1.00 0.00 H new ATOM 414 N GLU A 30 -6.851 14.234 -0.088 1.00 0.00 N ATOM 415 CA GLU A 30 -6.852 13.838 1.315 1.00 0.00 C ATOM 416 C GLU A 30 -8.101 13.004 1.608 1.00 0.00 C ATOM 417 O GLU A 30 -9.220 13.434 1.301 1.00 0.00 O ATOM 418 CB GLU A 30 -6.802 15.107 2.195 1.00 0.00 C ATOM 419 CG GLU A 30 -7.398 14.897 3.596 1.00 0.00 C ATOM 420 CD GLU A 30 -7.166 16.066 4.546 1.00 0.00 C ATOM 421 OE1 GLU A 30 -7.813 17.126 4.380 1.00 0.00 O ATOM 422 OE2 GLU A 30 -6.407 15.905 5.529 1.00 0.00 O ATOM 0 H GLU A 30 -6.887 15.245 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.978 13.227 1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.766 15.433 2.293 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.343 15.910 1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.470 14.725 3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.967 13.996 4.032 1.00 0.00 H new ATOM 429 N ILE A 31 -7.932 11.834 2.227 1.00 0.00 N ATOM 430 CA ILE A 31 -9.045 10.960 2.581 1.00 0.00 C ATOM 431 C ILE A 31 -9.535 11.286 4.001 1.00 0.00 C ATOM 432 O ILE A 31 -8.929 12.073 4.738 1.00 0.00 O ATOM 433 CB ILE A 31 -8.692 9.475 2.344 1.00 0.00 C ATOM 434 CG1 ILE A 31 -7.500 8.971 3.184 1.00 0.00 C ATOM 435 CG2 ILE A 31 -8.430 9.255 0.842 1.00 0.00 C ATOM 436 CD1 ILE A 31 -7.559 7.456 3.425 1.00 0.00 C ATOM 0 H ILE A 31 -7.018 11.468 2.496 1.00 0.00 H new ATOM 0 HA ILE A 31 -9.890 11.149 1.918 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.547 8.886 2.676 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.569 9.220 2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.488 9.489 4.143 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.180 8.209 0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -9.324 9.515 0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.601 9.885 0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.699 7.149 4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.477 7.208 3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.543 6.934 2.468 1.00 0.00 H new ATOM 448 N GLN A 32 -10.668 10.697 4.385 1.00 0.00 N ATOM 449 CA GLN A 32 -11.287 10.906 5.688 1.00 0.00 C ATOM 450 C GLN A 32 -10.550 10.179 6.810 1.00 0.00 C ATOM 451 O GLN A 32 -10.094 10.812 7.756 1.00 0.00 O ATOM 452 CB GLN A 32 -12.741 10.425 5.655 1.00 0.00 C ATOM 453 CG GLN A 32 -13.625 11.206 4.680 1.00 0.00 C ATOM 454 CD GLN A 32 -14.986 10.575 4.400 1.00 0.00 C ATOM 455 OE1 GLN A 32 -15.730 11.108 3.578 1.00 0.00 O ATOM 456 NE2 GLN A 32 -15.387 9.474 5.019 1.00 0.00 N ATOM 0 H GLN A 32 -11.187 10.052 3.788 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.239 11.975 5.895 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -12.759 9.370 5.383 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.163 10.503 6.657 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.781 12.209 5.077 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -13.091 11.316 3.736 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.779 9.023 5.703 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -16.304 9.078 4.812 1.00 0.00 H new ATOM 465 N ASP A 33 -10.510 8.848 6.750 1.00 0.00 N ATOM 466 CA ASP A 33 -9.895 7.941 7.719 1.00 0.00 C ATOM 467 C ASP A 33 -9.710 6.587 7.013 1.00 0.00 C ATOM 468 O ASP A 33 -10.218 6.423 5.894 1.00 0.00 O ATOM 469 CB ASP A 33 -10.869 7.818 8.906 1.00 0.00 C ATOM 470 CG ASP A 33 -10.300 7.076 10.114 1.00 0.00 C ATOM 471 OD1 ASP A 33 -10.422 5.837 10.150 1.00 0.00 O ATOM 472 OD2 ASP A 33 -9.904 7.741 11.100 1.00 0.00 O ATOM 0 H ASP A 33 -10.934 8.342 5.973 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.930 8.293 8.082 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.171 8.818 9.218 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.769 7.304 8.570 1.00 0.00 H new ATOM 477 N VAL A 34 -9.034 5.607 7.625 1.00 0.00 N ATOM 478 CA VAL A 34 -8.797 4.277 7.042 1.00 0.00 C ATOM 479 C VAL A 34 -10.099 3.607 6.590 1.00 0.00 C ATOM 480 O VAL A 34 -10.086 2.841 5.629 1.00 0.00 O ATOM 481 CB VAL A 34 -7.952 3.381 7.983 1.00 0.00 C ATOM 482 CG1 VAL A 34 -6.630 4.083 8.300 1.00 0.00 C ATOM 483 CG2 VAL A 34 -8.633 3.015 9.309 1.00 0.00 C ATOM 0 H VAL A 34 -8.629 5.716 8.555 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.204 4.419 6.139 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.806 2.447 7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.034 3.455 8.962 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.081 4.259 7.375 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.832 5.036 8.789 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.966 2.387 9.900 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.861 3.925 9.864 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.557 2.473 9.106 1.00 0.00 H new ATOM 493 N SER A 35 -11.236 3.947 7.207 1.00 0.00 N ATOM 494 CA SER A 35 -12.548 3.410 6.870 1.00 0.00 C ATOM 495 C SER A 35 -12.884 3.590 5.376 1.00 0.00 C ATOM 496 O SER A 35 -13.679 2.819 4.834 1.00 0.00 O ATOM 497 CB SER A 35 -13.597 4.099 7.751 1.00 0.00 C ATOM 498 OG SER A 35 -13.185 4.122 9.107 1.00 0.00 O ATOM 0 H SER A 35 -11.264 4.620 7.973 1.00 0.00 H new ATOM 0 HA SER A 35 -12.546 2.336 7.057 1.00 0.00 H new ATOM 0 HB2 SER A 35 -13.760 5.118 7.399 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.549 3.576 7.665 1.00 0.00 H new ATOM 0 HG SER A 35 -13.869 4.568 9.649 1.00 0.00 H new ATOM 504 N CYS A 36 -12.334 4.615 4.708 1.00 0.00 N ATOM 505 CA CYS A 36 -12.577 4.858 3.289 1.00 0.00 C ATOM 506 C CYS A 36 -11.840 3.811 2.458 1.00 0.00 C ATOM 507 O CYS A 36 -12.467 3.006 1.768 1.00 0.00 O ATOM 508 CB CYS A 36 -12.107 6.266 2.902 1.00 0.00 C ATOM 509 SG CYS A 36 -13.305 7.466 3.515 1.00 0.00 S ATOM 0 H CYS A 36 -11.709 5.295 5.141 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.647 4.785 3.093 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -11.123 6.465 3.325 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -12.011 6.348 1.819 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.822 8.666 3.387 1.00 0.00 H new ATOM 515 N ALA A 37 -10.506 3.824 2.532 1.00 0.00 N ATOM 516 CA ALA A 37 -9.657 2.898 1.797 1.00 0.00 C ATOM 517 C ALA A 37 -10.004 1.440 2.128 1.00 0.00 C ATOM 518 O ALA A 37 -9.870 0.584 1.260 1.00 0.00 O ATOM 519 CB ALA A 37 -8.188 3.248 2.026 1.00 0.00 C ATOM 0 H ALA A 37 -9.986 4.485 3.110 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.844 3.002 0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.558 2.551 1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.998 4.264 1.679 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.959 3.179 3.089 1.00 0.00 H new ATOM 525 N TRP A 38 -10.516 1.130 3.327 1.00 0.00 N ATOM 526 CA TRP A 38 -10.904 -0.237 3.683 1.00 0.00 C ATOM 527 C TRP A 38 -11.919 -0.774 2.667 1.00 0.00 C ATOM 528 O TRP A 38 -11.789 -1.910 2.208 1.00 0.00 O ATOM 529 CB TRP A 38 -11.504 -0.294 5.101 1.00 0.00 C ATOM 530 CG TRP A 38 -10.574 -0.784 6.164 1.00 0.00 C ATOM 531 CD1 TRP A 38 -10.175 -0.100 7.259 1.00 0.00 C ATOM 532 CD2 TRP A 38 -9.916 -2.082 6.245 1.00 0.00 C ATOM 533 NE1 TRP A 38 -9.299 -0.873 7.992 1.00 0.00 N ATOM 534 CE2 TRP A 38 -9.083 -2.097 7.396 1.00 0.00 C ATOM 535 CE3 TRP A 38 -9.911 -3.240 5.438 1.00 0.00 C ATOM 536 CZ2 TRP A 38 -8.254 -3.186 7.697 1.00 0.00 C ATOM 537 CZ3 TRP A 38 -9.097 -4.349 5.745 1.00 0.00 C ATOM 538 CH2 TRP A 38 -8.255 -4.319 6.866 1.00 0.00 C ATOM 0 H TRP A 38 -10.671 1.813 4.068 1.00 0.00 H new ATOM 0 HA TRP A 38 -10.009 -0.858 3.666 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.849 0.704 5.373 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -12.382 -0.940 5.082 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -10.493 0.899 7.520 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.865 -0.576 8.866 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -10.546 -3.277 4.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -7.615 -3.154 8.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -9.122 -5.225 5.114 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -7.613 -5.159 7.088 1.00 0.00 H new ATOM 549 N LYS A 39 -12.935 0.027 2.324 1.00 0.00 N ATOM 550 CA LYS A 39 -13.977 -0.344 1.366 1.00 0.00 C ATOM 551 C LYS A 39 -13.407 -0.414 -0.046 1.00 0.00 C ATOM 552 O LYS A 39 -13.774 -1.307 -0.807 1.00 0.00 O ATOM 553 CB LYS A 39 -15.140 0.657 1.430 1.00 0.00 C ATOM 554 CG LYS A 39 -15.897 0.550 2.759 1.00 0.00 C ATOM 555 CD LYS A 39 -16.976 1.626 2.900 1.00 0.00 C ATOM 556 CE LYS A 39 -17.797 1.348 4.164 1.00 0.00 C ATOM 557 NZ LYS A 39 -18.717 2.459 4.486 1.00 0.00 N ATOM 0 H LYS A 39 -13.056 0.963 2.711 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.355 -1.332 1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.757 1.670 1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.826 0.474 0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.357 -0.435 2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.191 0.636 3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.518 2.613 2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.624 1.627 2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.370 0.431 4.029 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.123 1.181 5.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.252 2.228 5.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.169 3.329 4.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -19.378 2.602 3.696 1.00 0.00 H new ATOM 571 N GLU A 40 -12.518 0.514 -0.397 1.00 0.00 N ATOM 572 CA GLU A 40 -11.878 0.573 -1.708 1.00 0.00 C ATOM 573 C GLU A 40 -11.085 -0.714 -1.954 1.00 0.00 C ATOM 574 O GLU A 40 -11.321 -1.432 -2.928 1.00 0.00 O ATOM 575 CB GLU A 40 -10.979 1.818 -1.750 1.00 0.00 C ATOM 576 CG GLU A 40 -10.412 2.040 -3.157 1.00 0.00 C ATOM 577 CD GLU A 40 -8.898 2.178 -3.285 1.00 0.00 C ATOM 578 OE1 GLU A 40 -8.158 2.069 -2.291 1.00 0.00 O ATOM 579 OE2 GLU A 40 -8.497 2.277 -4.470 1.00 0.00 O ATOM 0 H GLU A 40 -12.218 1.258 0.233 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.621 0.652 -2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.550 2.694 -1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.161 1.704 -1.038 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.729 1.207 -3.784 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.869 2.940 -3.567 1.00 0.00 H new ATOM 586 N LEU A 41 -10.181 -1.047 -1.032 1.00 0.00 N ATOM 587 CA LEU A 41 -9.351 -2.242 -1.084 1.00 0.00 C ATOM 588 C LEU A 41 -10.278 -3.455 -1.184 1.00 0.00 C ATOM 589 O LEU A 41 -10.075 -4.325 -2.026 1.00 0.00 O ATOM 590 CB LEU A 41 -8.449 -2.294 0.163 1.00 0.00 C ATOM 591 CG LEU A 41 -7.312 -1.246 0.124 1.00 0.00 C ATOM 592 CD1 LEU A 41 -6.833 -0.865 1.532 1.00 0.00 C ATOM 593 CD2 LEU A 41 -6.114 -1.769 -0.677 1.00 0.00 C ATOM 0 H LEU A 41 -10.004 -0.474 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.693 -2.236 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.057 -2.131 1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.016 -3.290 0.251 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.724 -0.360 -0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.034 -0.127 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.664 -0.444 2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.460 -1.753 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.328 -1.014 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.735 -2.680 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.426 -1.986 -1.699 1.00 0.00 H new ATOM 605 N ASN A 42 -11.350 -3.484 -0.385 1.00 0.00 N ATOM 606 CA ASN A 42 -12.333 -4.570 -0.376 1.00 0.00 C ATOM 607 C ASN A 42 -13.064 -4.737 -1.706 1.00 0.00 C ATOM 608 O ASN A 42 -13.651 -5.798 -1.923 1.00 0.00 O ATOM 609 CB ASN A 42 -13.374 -4.369 0.738 1.00 0.00 C ATOM 610 CG ASN A 42 -13.027 -5.215 1.944 1.00 0.00 C ATOM 611 OD1 ASN A 42 -13.420 -6.374 2.009 1.00 0.00 O ATOM 612 ND2 ASN A 42 -12.267 -4.676 2.875 1.00 0.00 N ATOM 0 H ASN A 42 -11.561 -2.742 0.283 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.757 -5.477 -0.194 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.413 -3.318 1.023 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.365 -4.637 0.371 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.986 -5.227 3.686 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.960 -3.707 2.785 1.00 0.00 H new ATOM 619 N ARG A 43 -13.085 -3.720 -2.576 1.00 0.00 N ATOM 620 CA ARG A 43 -13.746 -3.795 -3.871 1.00 0.00 C ATOM 621 C ARG A 43 -12.846 -4.418 -4.922 1.00 0.00 C ATOM 622 O ARG A 43 -13.348 -5.183 -5.744 1.00 0.00 O ATOM 623 CB ARG A 43 -14.191 -2.397 -4.341 1.00 0.00 C ATOM 624 CG ARG A 43 -15.604 -2.095 -3.848 1.00 0.00 C ATOM 625 CD ARG A 43 -16.204 -0.903 -4.601 1.00 0.00 C ATOM 626 NE ARG A 43 -17.664 -0.979 -4.504 1.00 0.00 N ATOM 627 CZ ARG A 43 -18.499 -0.147 -3.888 1.00 0.00 C ATOM 628 NH1 ARG A 43 -18.096 1.020 -3.405 1.00 0.00 N ATOM 629 NH2 ARG A 43 -19.762 -0.525 -3.744 1.00 0.00 N ATOM 0 H ARG A 43 -12.640 -2.820 -2.394 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.623 -4.430 -3.746 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.499 -1.643 -3.966 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.160 -2.345 -5.429 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.236 -2.972 -3.985 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.583 -1.881 -2.779 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.844 0.034 -4.175 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.892 -0.919 -5.645 1.00 0.00 H new ATOM 0 HE ARG A 43 -18.097 -1.776 -4.971 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.120 1.302 -3.501 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -18.761 1.636 -2.938 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -20.067 -1.430 -4.101 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.428 0.090 -3.276 1.00 0.00 H new ATOM 643 N LYS A 44 -11.557 -4.078 -4.964 1.00 0.00 N ATOM 644 CA LYS A 44 -10.666 -4.653 -5.981 1.00 0.00 C ATOM 645 C LYS A 44 -9.984 -5.930 -5.510 1.00 0.00 C ATOM 646 O LYS A 44 -9.444 -6.657 -6.347 1.00 0.00 O ATOM 647 CB LYS A 44 -9.612 -3.629 -6.427 1.00 0.00 C ATOM 648 CG LYS A 44 -10.207 -2.375 -7.083 1.00 0.00 C ATOM 649 CD LYS A 44 -10.968 -2.627 -8.394 1.00 0.00 C ATOM 650 CE LYS A 44 -12.487 -2.576 -8.241 1.00 0.00 C ATOM 651 NZ LYS A 44 -12.970 -1.210 -7.957 1.00 0.00 N ATOM 0 H LYS A 44 -11.111 -3.422 -4.322 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.297 -4.915 -6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.021 -3.329 -5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.929 -4.106 -7.130 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.884 -1.898 -6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.401 -1.668 -7.279 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.661 -1.885 -9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.684 -3.603 -8.787 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.956 -2.943 -9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.793 -3.243 -7.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.000 -1.171 -8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.742 -0.958 -6.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.509 -0.538 -8.602 1.00 0.00 H new ATOM 665 N LEU A 45 -9.972 -6.202 -4.206 1.00 0.00 N ATOM 666 CA LEU A 45 -9.340 -7.378 -3.628 1.00 0.00 C ATOM 667 C LEU A 45 -10.402 -8.335 -3.111 1.00 0.00 C ATOM 668 O LEU A 45 -11.580 -7.991 -2.975 1.00 0.00 O ATOM 669 CB LEU A 45 -8.360 -6.969 -2.513 1.00 0.00 C ATOM 670 CG LEU A 45 -7.306 -5.932 -2.955 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.419 -5.574 -1.761 1.00 0.00 C ATOM 672 CD2 LEU A 45 -6.482 -6.447 -4.137 1.00 0.00 C ATOM 0 H LEU A 45 -10.411 -5.597 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.766 -7.892 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.927 -6.562 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.848 -7.860 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.813 -5.030 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.673 -4.842 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.033 -5.154 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.918 -6.471 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.748 -5.694 -4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.967 -7.364 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.143 -6.651 -4.980 1.00 0.00 H new ATOM 684 N SER A 46 -9.975 -9.557 -2.822 1.00 0.00 N ATOM 685 CA SER A 46 -10.809 -10.635 -2.325 1.00 0.00 C ATOM 686 C SER A 46 -10.920 -10.563 -0.797 1.00 0.00 C ATOM 687 O SER A 46 -9.963 -10.144 -0.148 1.00 0.00 O ATOM 688 CB SER A 46 -10.179 -11.973 -2.747 1.00 0.00 C ATOM 689 OG SER A 46 -9.012 -11.856 -3.551 1.00 0.00 O ATOM 0 H SER A 46 -8.999 -9.832 -2.933 1.00 0.00 H new ATOM 0 HA SER A 46 -11.812 -10.547 -2.742 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.930 -12.540 -1.850 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.923 -12.552 -3.294 1.00 0.00 H new ATOM 0 HG SER A 46 -8.676 -12.750 -3.772 1.00 0.00 H new ATOM 695 N SER A 47 -12.035 -11.014 -0.211 1.00 0.00 N ATOM 696 CA SER A 47 -12.245 -11.017 1.241 1.00 0.00 C ATOM 697 C SER A 47 -11.151 -11.824 1.965 1.00 0.00 C ATOM 698 O SER A 47 -10.748 -11.496 3.085 1.00 0.00 O ATOM 699 CB SER A 47 -13.618 -11.606 1.582 1.00 0.00 C ATOM 700 OG SER A 47 -14.656 -10.937 0.884 1.00 0.00 O ATOM 0 H SER A 47 -12.824 -11.391 -0.736 1.00 0.00 H new ATOM 0 HA SER A 47 -12.196 -9.982 1.580 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.633 -12.667 1.331 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.792 -11.530 2.655 1.00 0.00 H new ATOM 0 HG SER A 47 -15.519 -11.336 1.121 1.00 0.00 H new ATOM 706 N ASN A 48 -10.659 -12.886 1.325 1.00 0.00 N ATOM 707 CA ASN A 48 -9.622 -13.743 1.871 1.00 0.00 C ATOM 708 C ASN A 48 -8.302 -12.972 1.985 1.00 0.00 C ATOM 709 O ASN A 48 -7.726 -12.893 3.070 1.00 0.00 O ATOM 710 CB ASN A 48 -9.480 -14.997 1.003 1.00 0.00 C ATOM 711 CG ASN A 48 -8.549 -15.997 1.663 1.00 0.00 C ATOM 712 OD1 ASN A 48 -7.442 -16.224 1.191 1.00 0.00 O ATOM 713 ND2 ASN A 48 -8.998 -16.646 2.720 1.00 0.00 N ATOM 0 H ASN A 48 -10.979 -13.173 0.400 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.899 -14.061 2.876 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.459 -15.451 0.846 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.094 -14.725 0.021 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.419 -17.358 3.166 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.924 -16.436 3.092 1.00 0.00 H new ATOM 720 N ALA A 49 -7.858 -12.368 0.879 1.00 0.00 N ATOM 721 CA ALA A 49 -6.623 -11.602 0.786 1.00 0.00 C ATOM 722 C ALA A 49 -6.653 -10.293 1.583 1.00 0.00 C ATOM 723 O ALA A 49 -5.750 -10.026 2.367 1.00 0.00 O ATOM 724 CB ALA A 49 -6.338 -11.293 -0.691 1.00 0.00 C ATOM 0 H ALA A 49 -8.369 -12.403 -0.003 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.834 -12.214 1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.415 -10.719 -0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.235 -12.226 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.162 -10.714 -1.107 1.00 0.00 H new ATOM 730 N VAL A 50 -7.689 -9.468 1.411 1.00 0.00 N ATOM 731 CA VAL A 50 -7.822 -8.173 2.079 1.00 0.00 C ATOM 732 C VAL A 50 -7.728 -8.274 3.609 1.00 0.00 C ATOM 733 O VAL A 50 -7.245 -7.348 4.258 1.00 0.00 O ATOM 734 CB VAL A 50 -9.103 -7.475 1.568 1.00 0.00 C ATOM 735 CG1 VAL A 50 -10.369 -7.981 2.262 1.00 0.00 C ATOM 736 CG2 VAL A 50 -9.035 -5.951 1.688 1.00 0.00 C ATOM 0 H VAL A 50 -8.471 -9.686 0.793 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.971 -7.545 1.816 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.159 -7.737 0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.237 -7.456 1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.479 -9.051 2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.294 -7.797 3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.961 -5.515 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.899 -5.674 2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.196 -5.577 1.102 1.00 0.00 H new ATOM 746 N SER A 51 -8.136 -9.394 4.209 1.00 0.00 N ATOM 747 CA SER A 51 -8.082 -9.582 5.651 1.00 0.00 C ATOM 748 C SER A 51 -6.628 -9.686 6.149 1.00 0.00 C ATOM 749 O SER A 51 -6.374 -9.405 7.324 1.00 0.00 O ATOM 750 CB SER A 51 -8.925 -10.815 5.978 1.00 0.00 C ATOM 751 OG SER A 51 -9.101 -11.048 7.360 1.00 0.00 O ATOM 0 H SER A 51 -8.513 -10.195 3.703 1.00 0.00 H new ATOM 0 HA SER A 51 -8.493 -8.720 6.176 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.904 -10.705 5.512 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.456 -11.691 5.530 1.00 0.00 H new ATOM 0 HG SER A 51 -9.650 -11.850 7.489 1.00 0.00 H new ATOM 757 N GLN A 52 -5.666 -10.054 5.290 1.00 0.00 N ATOM 758 CA GLN A 52 -4.259 -10.168 5.668 1.00 0.00 C ATOM 759 C GLN A 52 -3.649 -8.793 5.959 1.00 0.00 C ATOM 760 O GLN A 52 -2.614 -8.718 6.618 1.00 0.00 O ATOM 761 CB GLN A 52 -3.442 -10.824 4.538 1.00 0.00 C ATOM 762 CG GLN A 52 -3.819 -12.282 4.212 1.00 0.00 C ATOM 763 CD GLN A 52 -2.750 -13.286 4.658 1.00 0.00 C ATOM 764 OE1 GLN A 52 -2.207 -13.213 5.762 1.00 0.00 O ATOM 765 NE2 GLN A 52 -2.420 -14.262 3.834 1.00 0.00 N ATOM 0 H GLN A 52 -5.848 -10.280 4.312 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.220 -10.784 6.566 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.558 -10.226 3.634 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.387 -10.791 4.809 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.764 -12.525 4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.977 -12.380 3.138 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.865 -14.329 2.919 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.720 -14.950 4.112 1.00 0.00 H new ATOM 774 N ILE A 53 -4.257 -7.712 5.469 1.00 0.00 N ATOM 775 CA ILE A 53 -3.791 -6.347 5.638 1.00 0.00 C ATOM 776 C ILE A 53 -3.782 -5.988 7.127 1.00 0.00 C ATOM 777 O ILE A 53 -4.842 -5.882 7.754 1.00 0.00 O ATOM 778 CB ILE A 53 -4.664 -5.400 4.779 1.00 0.00 C ATOM 779 CG1 ILE A 53 -4.519 -5.756 3.276 1.00 0.00 C ATOM 780 CG2 ILE A 53 -4.263 -3.940 5.023 1.00 0.00 C ATOM 781 CD1 ILE A 53 -5.540 -5.044 2.384 1.00 0.00 C ATOM 0 H ILE A 53 -5.118 -7.772 4.925 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.765 -6.237 5.287 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.707 -5.526 5.068 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.514 -5.497 2.944 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.628 -6.834 3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.885 -3.285 4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.403 -3.695 6.076 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.216 -3.800 4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.383 -5.337 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.548 -5.322 2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.416 -3.965 2.479 1.00 0.00 H new ATOM 793 N THR A 54 -2.589 -5.802 7.689 1.00 0.00 N ATOM 794 CA THR A 54 -2.354 -5.436 9.081 1.00 0.00 C ATOM 795 C THR A 54 -1.416 -4.233 9.088 1.00 0.00 C ATOM 796 O THR A 54 -0.888 -3.838 8.043 1.00 0.00 O ATOM 797 CB THR A 54 -1.826 -6.641 9.885 1.00 0.00 C ATOM 798 OG1 THR A 54 -1.853 -6.352 11.275 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.413 -7.072 9.490 1.00 0.00 C ATOM 0 H THR A 54 -1.722 -5.907 7.161 1.00 0.00 H new ATOM 0 HA THR A 54 -3.281 -5.152 9.580 1.00 0.00 H new ATOM 0 HB THR A 54 -2.491 -7.472 9.650 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.517 -7.124 11.776 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.109 -7.924 10.098 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.400 -7.354 8.437 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.279 -6.245 9.653 1.00 0.00 H new ATOM 807 N ARG A 55 -1.172 -3.658 10.271 1.00 0.00 N ATOM 808 CA ARG A 55 -0.297 -2.501 10.464 1.00 0.00 C ATOM 809 C ARG A 55 -0.735 -1.344 9.560 1.00 0.00 C ATOM 810 O ARG A 55 0.102 -0.578 9.075 1.00 0.00 O ATOM 811 CB ARG A 55 1.156 -2.956 10.248 1.00 0.00 C ATOM 812 CG ARG A 55 1.612 -4.018 11.259 1.00 0.00 C ATOM 813 CD ARG A 55 1.849 -3.390 12.627 1.00 0.00 C ATOM 814 NE ARG A 55 2.755 -4.190 13.460 1.00 0.00 N ATOM 815 CZ ARG A 55 4.088 -4.099 13.428 1.00 0.00 C ATOM 816 NH1 ARG A 55 4.724 -3.682 12.332 1.00 0.00 N ATOM 817 NH2 ARG A 55 4.765 -4.397 14.528 1.00 0.00 N ATOM 0 H ARG A 55 -1.588 -3.994 11.140 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.369 -2.111 11.479 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.259 -3.356 9.239 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.815 -2.091 10.317 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.857 -4.800 11.338 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.528 -4.493 10.907 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.265 -2.391 12.498 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.895 -3.274 13.141 1.00 0.00 H new ATOM 0 HE ARG A 55 2.339 -4.860 14.107 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.192 -3.426 11.500 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.742 -3.619 12.326 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.268 -4.687 15.370 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.783 -4.336 14.532 1.00 0.00 H new ATOM 831 N MET A 56 -2.035 -1.258 9.277 1.00 0.00 N ATOM 832 CA MET A 56 -2.616 -0.241 8.424 1.00 0.00 C ATOM 833 C MET A 56 -2.559 1.091 9.157 1.00 0.00 C ATOM 834 O MET A 56 -3.245 1.254 10.167 1.00 0.00 O ATOM 835 CB MET A 56 -4.049 -0.668 8.055 1.00 0.00 C ATOM 836 CG MET A 56 -4.570 0.099 6.852 1.00 0.00 C ATOM 837 SD MET A 56 -6.371 0.050 6.739 1.00 0.00 S ATOM 838 CE MET A 56 -6.548 -1.118 5.372 1.00 0.00 C ATOM 0 H MET A 56 -2.723 -1.913 9.647 1.00 0.00 H new ATOM 0 HA MET A 56 -2.064 -0.125 7.491 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.067 -1.737 7.841 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.709 -0.502 8.906 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.240 1.136 6.914 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.139 -0.319 5.942 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.549 -1.035 4.950 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.810 -0.892 4.602 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.392 -2.133 5.738 1.00 0.00 H new ATOM 848 N CYS A 57 -1.700 2.010 8.717 1.00 0.00 N ATOM 849 CA CYS A 57 -1.563 3.324 9.326 1.00 0.00 C ATOM 850 C CYS A 57 -1.671 4.407 8.254 1.00 0.00 C ATOM 851 O CYS A 57 -1.224 4.213 7.115 1.00 0.00 O ATOM 852 CB CYS A 57 -0.259 3.383 10.129 1.00 0.00 C ATOM 853 SG CYS A 57 -0.494 4.393 11.616 1.00 0.00 S ATOM 0 H CYS A 57 -1.078 1.859 7.923 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.374 3.508 10.031 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.052 2.376 10.408 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.537 3.804 9.515 1.00 0.00 H new ATOM 0 HG CYS A 57 0.616 4.435 12.292 1.00 0.00 H new ATOM 859 N LEU A 58 -2.262 5.552 8.600 1.00 0.00 N ATOM 860 CA LEU A 58 -2.430 6.675 7.679 1.00 0.00 C ATOM 861 C LEU A 58 -1.071 7.290 7.354 1.00 0.00 C ATOM 862 O LEU A 58 -0.137 7.216 8.164 1.00 0.00 O ATOM 863 CB LEU A 58 -3.340 7.744 8.313 1.00 0.00 C ATOM 864 CG LEU A 58 -4.833 7.372 8.252 1.00 0.00 C ATOM 865 CD1 LEU A 58 -5.615 8.154 9.308 1.00 0.00 C ATOM 866 CD2 LEU A 58 -5.433 7.655 6.869 1.00 0.00 C ATOM 0 H LEU A 58 -2.639 5.726 9.532 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.889 6.311 6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.049 7.891 9.353 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.186 8.694 7.802 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.909 6.302 8.448 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.669 7.883 9.255 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.228 7.915 10.299 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.506 9.223 9.124 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.488 7.379 6.867 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.335 8.716 6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.904 7.071 6.116 1.00 0.00 H new ATOM 878 N LEU A 59 -0.935 7.836 6.148 1.00 0.00 N ATOM 879 CA LEU A 59 0.294 8.492 5.710 1.00 0.00 C ATOM 880 C LEU A 59 0.165 9.980 6.028 1.00 0.00 C ATOM 881 O LEU A 59 -0.918 10.468 6.376 1.00 0.00 O ATOM 882 CB LEU A 59 0.523 8.288 4.203 1.00 0.00 C ATOM 883 CG LEU A 59 1.047 6.887 3.849 1.00 0.00 C ATOM 884 CD1 LEU A 59 0.994 6.680 2.337 1.00 0.00 C ATOM 885 CD2 LEU A 59 2.500 6.687 4.312 1.00 0.00 C ATOM 0 H LEU A 59 -1.675 7.836 5.446 1.00 0.00 H new ATOM 0 HA LEU A 59 1.149 8.060 6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.414 8.462 3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.233 9.034 3.847 1.00 0.00 H new ATOM 0 HG LEU A 59 0.411 6.165 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.367 5.685 2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.036 6.777 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.613 7.430 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.833 5.685 4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.141 7.424 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.558 6.810 5.393 1.00 0.00 H new ATOM 897 N LYS A 60 1.283 10.703 5.957 1.00 0.00 N ATOM 898 CA LYS A 60 1.279 12.140 6.218 1.00 0.00 C ATOM 899 C LYS A 60 0.447 12.810 5.129 1.00 0.00 C ATOM 900 O LYS A 60 0.311 12.272 4.024 1.00 0.00 O ATOM 901 CB LYS A 60 2.715 12.669 6.305 1.00 0.00 C ATOM 902 CG LYS A 60 3.331 12.199 7.630 1.00 0.00 C ATOM 903 CD LYS A 60 4.838 12.450 7.700 1.00 0.00 C ATOM 904 CE LYS A 60 5.366 11.952 9.048 1.00 0.00 C ATOM 905 NZ LYS A 60 5.100 12.923 10.128 1.00 0.00 N ATOM 0 H LYS A 60 2.198 10.318 5.722 1.00 0.00 H new ATOM 0 HA LYS A 60 0.825 12.370 7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.304 12.304 5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.721 13.758 6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.842 12.714 8.457 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.137 11.134 7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.344 11.934 6.884 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.048 13.513 7.583 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.899 10.998 9.292 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.439 11.772 8.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.471 12.553 11.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.567 13.826 9.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.075 13.075 10.213 1.00 0.00 H new ATOM 919 N GLY A 61 -0.154 13.950 5.460 1.00 0.00 N ATOM 920 CA GLY A 61 -1.000 14.695 4.538 1.00 0.00 C ATOM 921 C GLY A 61 -2.291 13.947 4.180 1.00 0.00 C ATOM 922 O GLY A 61 -3.059 14.444 3.360 1.00 0.00 O ATOM 0 H GLY A 61 -0.066 14.383 6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.254 15.657 4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.441 14.903 3.626 1.00 0.00 H new ATOM 926 N ASN A 62 -2.558 12.775 4.780 1.00 0.00 N ATOM 927 CA ASN A 62 -3.731 11.928 4.547 1.00 0.00 C ATOM 928 C ASN A 62 -3.950 11.596 3.060 1.00 0.00 C ATOM 929 O ASN A 62 -5.017 11.119 2.687 1.00 0.00 O ATOM 930 CB ASN A 62 -4.980 12.515 5.228 1.00 0.00 C ATOM 931 CG ASN A 62 -4.949 12.338 6.737 1.00 0.00 C ATOM 932 OD1 ASN A 62 -5.445 11.344 7.256 1.00 0.00 O ATOM 933 ND2 ASN A 62 -4.366 13.275 7.466 1.00 0.00 N ATOM 0 H ASN A 62 -1.927 12.376 5.475 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.532 10.966 5.019 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.056 13.576 4.990 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.871 12.033 4.826 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.323 13.179 8.481 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.960 14.094 7.014 1.00 0.00 H new ATOM 940 N MET A 63 -2.946 11.801 2.203 1.00 0.00 N ATOM 941 CA MET A 63 -2.967 11.530 0.767 1.00 0.00 C ATOM 942 C MET A 63 -2.675 10.034 0.515 1.00 0.00 C ATOM 943 O MET A 63 -2.005 9.699 -0.465 1.00 0.00 O ATOM 944 CB MET A 63 -1.911 12.420 0.070 1.00 0.00 C ATOM 945 CG MET A 63 -2.161 13.935 0.064 1.00 0.00 C ATOM 946 SD MET A 63 -3.567 14.561 -0.905 1.00 0.00 S ATOM 947 CE MET A 63 -3.194 13.872 -2.542 1.00 0.00 C ATOM 0 H MET A 63 -2.051 12.180 2.511 1.00 0.00 H new ATOM 0 HA MET A 63 -3.951 11.760 0.358 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.948 12.239 0.548 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.820 12.089 -0.965 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.297 14.256 1.097 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.258 14.422 -0.304 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.827 14.349 -3.290 1.00 0.00 H new ATOM 0 HE2 MET A 63 -2.147 14.054 -2.783 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.384 12.799 -2.537 1.00 0.00 H new ATOM 957 N GLY A 64 -3.041 9.119 1.420 1.00 0.00 N ATOM 958 CA GLY A 64 -2.775 7.701 1.225 1.00 0.00 C ATOM 959 C GLY A 64 -2.676 6.895 2.514 1.00 0.00 C ATOM 960 O GLY A 64 -2.853 7.412 3.623 1.00 0.00 O ATOM 0 H GLY A 64 -3.521 9.341 2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.566 7.277 0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.843 7.592 0.670 1.00 0.00 H new ATOM 964 N VAL A 65 -2.379 5.603 2.361 1.00 0.00 N ATOM 965 CA VAL A 65 -2.243 4.635 3.444 1.00 0.00 C ATOM 966 C VAL A 65 -1.034 3.717 3.215 1.00 0.00 C ATOM 967 O VAL A 65 -0.558 3.559 2.088 1.00 0.00 O ATOM 968 CB VAL A 65 -3.557 3.822 3.571 1.00 0.00 C ATOM 969 CG1 VAL A 65 -4.731 4.722 3.990 1.00 0.00 C ATOM 970 CG2 VAL A 65 -3.971 3.042 2.314 1.00 0.00 C ATOM 0 H VAL A 65 -2.221 5.189 1.442 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.066 5.165 4.380 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.330 3.084 4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.638 4.123 4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.512 5.180 4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.876 5.502 3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.901 2.508 2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.116 3.736 1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.190 2.327 2.055 1.00 0.00 H new ATOM 980 N CYS A 66 -0.537 3.086 4.281 1.00 0.00 N ATOM 981 CA CYS A 66 0.586 2.153 4.260 1.00 0.00 C ATOM 982 C CYS A 66 0.179 0.965 5.138 1.00 0.00 C ATOM 983 O CYS A 66 -0.528 1.169 6.134 1.00 0.00 O ATOM 984 CB CYS A 66 1.872 2.834 4.754 1.00 0.00 C ATOM 985 SG CYS A 66 3.292 2.299 3.770 1.00 0.00 S ATOM 0 H CYS A 66 -0.922 3.217 5.216 1.00 0.00 H new ATOM 0 HA CYS A 66 0.806 1.812 3.249 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.765 3.917 4.689 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.038 2.592 5.804 1.00 0.00 H new ATOM 0 HG CYS A 66 2.907 1.415 2.898 1.00 0.00 H new ATOM 991 N PHE A 67 0.563 -0.257 4.761 1.00 0.00 N ATOM 992 CA PHE A 67 0.242 -1.474 5.508 1.00 0.00 C ATOM 993 C PHE A 67 1.277 -2.582 5.259 1.00 0.00 C ATOM 994 O PHE A 67 2.039 -2.508 4.295 1.00 0.00 O ATOM 995 CB PHE A 67 -1.198 -1.919 5.214 1.00 0.00 C ATOM 996 CG PHE A 67 -1.633 -2.070 3.766 1.00 0.00 C ATOM 997 CD1 PHE A 67 -1.230 -3.197 3.033 1.00 0.00 C ATOM 998 CD2 PHE A 67 -2.567 -1.174 3.206 1.00 0.00 C ATOM 999 CE1 PHE A 67 -1.792 -3.459 1.772 1.00 0.00 C ATOM 1000 CE2 PHE A 67 -3.123 -1.432 1.940 1.00 0.00 C ATOM 1001 CZ PHE A 67 -2.761 -2.594 1.241 1.00 0.00 C ATOM 0 H PHE A 67 1.112 -0.430 3.919 1.00 0.00 H new ATOM 0 HA PHE A 67 0.297 -1.253 6.574 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.355 -2.878 5.708 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.869 -1.202 5.688 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.485 -3.865 3.440 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.856 -0.287 3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.478 -4.327 1.211 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.827 -0.737 1.507 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.228 -2.822 0.294 1.00 0.00 H new ATOM 1011 N ASP A 68 1.318 -3.598 6.133 1.00 0.00 N ATOM 1012 CA ASP A 68 2.250 -4.733 6.068 1.00 0.00 C ATOM 1013 C ASP A 68 1.556 -5.938 5.425 1.00 0.00 C ATOM 1014 O ASP A 68 0.398 -6.246 5.735 1.00 0.00 O ATOM 1015 CB ASP A 68 2.774 -5.137 7.466 1.00 0.00 C ATOM 1016 CG ASP A 68 3.791 -4.181 8.114 1.00 0.00 C ATOM 1017 OD1 ASP A 68 4.047 -3.081 7.571 1.00 0.00 O ATOM 1018 OD2 ASP A 68 4.301 -4.513 9.210 1.00 0.00 O ATOM 0 H ASP A 68 0.683 -3.654 6.930 1.00 0.00 H new ATOM 0 HA ASP A 68 3.103 -4.419 5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.920 -5.234 8.137 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.232 -6.123 7.388 1.00 0.00 H new ATOM 1023 N VAL A 69 2.282 -6.661 4.572 1.00 0.00 N ATOM 1024 CA VAL A 69 1.843 -7.842 3.827 1.00 0.00 C ATOM 1025 C VAL A 69 2.939 -8.915 3.780 1.00 0.00 C ATOM 1026 O VAL A 69 4.128 -8.598 3.882 1.00 0.00 O ATOM 1027 CB VAL A 69 1.454 -7.446 2.379 1.00 0.00 C ATOM 1028 CG1 VAL A 69 0.092 -6.746 2.329 1.00 0.00 C ATOM 1029 CG2 VAL A 69 2.515 -6.511 1.764 1.00 0.00 C ATOM 0 H VAL A 69 3.253 -6.423 4.370 1.00 0.00 H new ATOM 0 HA VAL A 69 0.976 -8.254 4.344 1.00 0.00 H new ATOM 0 HB VAL A 69 1.397 -8.370 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.145 -6.484 1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.675 -7.415 2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.126 -5.840 2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.222 -6.246 0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.595 -5.606 2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.479 -7.019 1.742 1.00 0.00 H new ATOM 1039 N PRO A 70 2.568 -10.189 3.586 1.00 0.00 N ATOM 1040 CA PRO A 70 3.542 -11.261 3.494 1.00 0.00 C ATOM 1041 C PRO A 70 4.257 -11.198 2.136 1.00 0.00 C ATOM 1042 O PRO A 70 3.652 -10.839 1.120 1.00 0.00 O ATOM 1043 CB PRO A 70 2.715 -12.539 3.598 1.00 0.00 C ATOM 1044 CG PRO A 70 1.338 -12.161 3.063 1.00 0.00 C ATOM 1045 CD PRO A 70 1.206 -10.700 3.467 1.00 0.00 C ATOM 0 HA PRO A 70 4.309 -11.202 4.266 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.158 -13.345 3.013 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.656 -12.888 4.629 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.275 -12.289 1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.551 -12.774 3.502 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.643 -10.139 2.721 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.670 -10.603 4.411 1.00 0.00 H new ATOM 1053 N THR A 71 5.521 -11.632 2.084 1.00 0.00 N ATOM 1054 CA THR A 71 6.310 -11.642 0.846 1.00 0.00 C ATOM 1055 C THR A 71 5.748 -12.640 -0.188 1.00 0.00 C ATOM 1056 O THR A 71 6.221 -12.691 -1.326 1.00 0.00 O ATOM 1057 CB THR A 71 7.786 -11.953 1.177 1.00 0.00 C ATOM 1058 OG1 THR A 71 7.919 -13.025 2.100 1.00 0.00 O ATOM 1059 CG2 THR A 71 8.495 -10.742 1.782 1.00 0.00 C ATOM 0 H THR A 71 6.026 -11.986 2.897 1.00 0.00 H new ATOM 0 HA THR A 71 6.246 -10.654 0.391 1.00 0.00 H new ATOM 0 HB THR A 71 8.242 -12.227 0.226 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.869 -13.187 2.278 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.531 -10.999 2.002 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.469 -9.914 1.074 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.991 -10.448 2.703 1.00 0.00 H new ATOM 1067 N THR A 72 4.774 -13.468 0.200 1.00 0.00 N ATOM 1068 CA THR A 72 4.138 -14.467 -0.642 1.00 0.00 C ATOM 1069 C THR A 72 2.907 -13.919 -1.377 1.00 0.00 C ATOM 1070 O THR A 72 2.438 -14.598 -2.289 1.00 0.00 O ATOM 1071 CB THR A 72 3.776 -15.687 0.223 1.00 0.00 C ATOM 1072 OG1 THR A 72 3.080 -15.293 1.387 1.00 0.00 O ATOM 1073 CG2 THR A 72 5.028 -16.448 0.663 1.00 0.00 C ATOM 0 H THR A 72 4.397 -13.455 1.148 1.00 0.00 H new ATOM 0 HA THR A 72 4.842 -14.762 -1.420 1.00 0.00 H new ATOM 0 HB THR A 72 3.148 -16.330 -0.393 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.859 -16.085 1.920 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.738 -17.304 1.272 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.570 -16.796 -0.216 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.669 -15.787 1.247 1.00 0.00 H new ATOM 1081 N GLU A 73 2.399 -12.719 -1.054 1.00 0.00 N ATOM 1082 CA GLU A 73 1.215 -12.160 -1.724 1.00 0.00 C ATOM 1083 C GLU A 73 1.495 -10.847 -2.462 1.00 0.00 C ATOM 1084 O GLU A 73 0.671 -10.406 -3.265 1.00 0.00 O ATOM 1085 CB GLU A 73 0.069 -11.996 -0.708 1.00 0.00 C ATOM 1086 CG GLU A 73 -1.307 -12.010 -1.400 1.00 0.00 C ATOM 1087 CD GLU A 73 -2.358 -12.830 -0.649 1.00 0.00 C ATOM 1088 OE1 GLU A 73 -3.017 -12.306 0.274 1.00 0.00 O ATOM 1089 OE2 GLU A 73 -2.548 -14.027 -0.972 1.00 0.00 O ATOM 0 H GLU A 73 2.791 -12.116 -0.331 1.00 0.00 H new ATOM 0 HA GLU A 73 0.918 -12.871 -2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.116 -12.799 0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.194 -11.059 -0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.663 -10.985 -1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.195 -12.412 -2.407 1.00 0.00 H new ATOM 1096 N SER A 74 2.659 -10.234 -2.238 1.00 0.00 N ATOM 1097 CA SER A 74 3.064 -8.978 -2.854 1.00 0.00 C ATOM 1098 C SER A 74 2.992 -9.000 -4.385 1.00 0.00 C ATOM 1099 O SER A 74 2.558 -8.023 -5.001 1.00 0.00 O ATOM 1100 CB SER A 74 4.447 -8.593 -2.316 1.00 0.00 C ATOM 1101 OG SER A 74 5.330 -9.703 -2.268 1.00 0.00 O ATOM 0 H SER A 74 3.363 -10.612 -1.604 1.00 0.00 H new ATOM 0 HA SER A 74 2.350 -8.203 -2.576 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.877 -7.815 -2.947 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.342 -8.171 -1.317 1.00 0.00 H new ATOM 0 HG SER A 74 6.200 -9.414 -1.921 1.00 0.00 H new ATOM 1107 N GLU A 75 3.365 -10.114 -5.009 1.00 0.00 N ATOM 1108 CA GLU A 75 3.344 -10.275 -6.461 1.00 0.00 C ATOM 1109 C GLU A 75 1.904 -10.340 -6.986 1.00 0.00 C ATOM 1110 O GLU A 75 1.582 -9.757 -8.023 1.00 0.00 O ATOM 1111 CB GLU A 75 4.051 -11.585 -6.850 1.00 0.00 C ATOM 1112 CG GLU A 75 5.456 -11.780 -6.269 1.00 0.00 C ATOM 1113 CD GLU A 75 6.503 -10.846 -6.876 1.00 0.00 C ATOM 1114 OE1 GLU A 75 7.051 -11.184 -7.953 1.00 0.00 O ATOM 1115 OE2 GLU A 75 6.886 -9.854 -6.215 1.00 0.00 O ATOM 0 H GLU A 75 3.695 -10.942 -4.514 1.00 0.00 H new ATOM 0 HA GLU A 75 3.853 -9.416 -6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.427 -12.421 -6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.118 -11.631 -7.937 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.420 -11.621 -5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.766 -12.813 -6.428 1.00 0.00 H new ATOM 1122 N ARG A 76 1.039 -11.082 -6.287 1.00 0.00 N ATOM 1123 CA ARG A 76 -0.364 -11.278 -6.639 1.00 0.00 C ATOM 1124 C ARG A 76 -1.155 -9.982 -6.521 1.00 0.00 C ATOM 1125 O ARG A 76 -1.931 -9.655 -7.421 1.00 0.00 O ATOM 1126 CB ARG A 76 -0.969 -12.367 -5.719 1.00 0.00 C ATOM 1127 CG ARG A 76 -1.429 -13.622 -6.471 1.00 0.00 C ATOM 1128 CD ARG A 76 -2.625 -13.330 -7.380 1.00 0.00 C ATOM 1129 NE ARG A 76 -3.304 -14.551 -7.847 1.00 0.00 N ATOM 1130 CZ ARG A 76 -2.907 -15.393 -8.810 1.00 0.00 C ATOM 1131 NH1 ARG A 76 -1.767 -15.216 -9.464 1.00 0.00 N ATOM 1132 NH2 ARG A 76 -3.679 -16.422 -9.113 1.00 0.00 N ATOM 0 H ARG A 76 1.308 -11.576 -5.436 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.422 -11.599 -7.679 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.228 -12.653 -4.972 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.818 -11.945 -5.181 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.604 -14.011 -7.068 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.697 -14.398 -5.754 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.339 -12.707 -6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.287 -12.756 -8.243 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.181 -14.783 -7.381 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.167 -14.422 -9.238 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.490 -15.873 -10.193 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.559 -16.563 -8.617 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.395 -17.075 -9.843 1.00 0.00 H new ATOM 1146 N LEU A 77 -0.942 -9.242 -5.434 1.00 0.00 N ATOM 1147 CA LEU A 77 -1.627 -7.986 -5.150 1.00 0.00 C ATOM 1148 C LEU A 77 -1.346 -6.926 -6.198 1.00 0.00 C ATOM 1149 O LEU A 77 -2.218 -6.105 -6.487 1.00 0.00 O ATOM 1150 CB LEU A 77 -1.256 -7.501 -3.736 1.00 0.00 C ATOM 1151 CG LEU A 77 -2.206 -8.152 -2.710 1.00 0.00 C ATOM 1152 CD1 LEU A 77 -1.664 -8.135 -1.281 1.00 0.00 C ATOM 1153 CD2 LEU A 77 -3.534 -7.402 -2.714 1.00 0.00 C ATOM 0 H LEU A 77 -0.273 -9.507 -4.711 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.701 -8.169 -5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.222 -7.762 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.330 -6.415 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.318 -9.194 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.384 -8.609 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.721 -8.680 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.501 -7.104 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.211 -7.857 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.364 -6.359 -2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.978 -7.453 -3.708 1.00 0.00 H new ATOM 1165 N GLN A 78 -0.147 -6.950 -6.776 1.00 0.00 N ATOM 1166 CA GLN A 78 0.254 -6.014 -7.812 1.00 0.00 C ATOM 1167 C GLN A 78 -0.513 -6.277 -9.107 1.00 0.00 C ATOM 1168 O GLN A 78 -0.668 -5.361 -9.906 1.00 0.00 O ATOM 1169 CB GLN A 78 1.761 -6.157 -8.029 1.00 0.00 C ATOM 1170 CG GLN A 78 2.521 -5.366 -6.972 1.00 0.00 C ATOM 1171 CD GLN A 78 4.018 -5.579 -7.113 1.00 0.00 C ATOM 1172 OE1 GLN A 78 4.639 -5.043 -8.025 1.00 0.00 O ATOM 1173 NE2 GLN A 78 4.613 -6.353 -6.226 1.00 0.00 N ATOM 0 H GLN A 78 0.576 -7.627 -6.533 1.00 0.00 H new ATOM 0 HA GLN A 78 0.022 -4.995 -7.503 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.045 -7.208 -7.981 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.028 -5.800 -9.023 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.289 -4.305 -7.068 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.197 -5.674 -5.978 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.069 -6.784 -5.479 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.617 -6.520 -6.287 1.00 0.00 H new ATOM 1182 N ALA A 79 -0.982 -7.511 -9.328 1.00 0.00 N ATOM 1183 CA ALA A 79 -1.739 -7.845 -10.528 1.00 0.00 C ATOM 1184 C ALA A 79 -3.231 -7.569 -10.300 1.00 0.00 C ATOM 1185 O ALA A 79 -3.938 -7.210 -11.241 1.00 0.00 O ATOM 1186 CB ALA A 79 -1.491 -9.308 -10.905 1.00 0.00 C ATOM 0 H ALA A 79 -0.847 -8.292 -8.686 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.406 -7.220 -11.357 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.059 -9.554 -11.802 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.428 -9.460 -11.095 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.809 -9.954 -10.086 1.00 0.00 H new ATOM 1192 N GLU A 80 -3.720 -7.727 -9.066 1.00 0.00 N ATOM 1193 CA GLU A 80 -5.119 -7.494 -8.710 1.00 0.00 C ATOM 1194 C GLU A 80 -5.481 -6.009 -8.703 1.00 0.00 C ATOM 1195 O GLU A 80 -6.664 -5.674 -8.802 1.00 0.00 O ATOM 1196 CB GLU A 80 -5.395 -8.047 -7.305 1.00 0.00 C ATOM 1197 CG GLU A 80 -5.418 -9.575 -7.288 1.00 0.00 C ATOM 1198 CD GLU A 80 -5.613 -10.113 -5.875 1.00 0.00 C ATOM 1199 OE1 GLU A 80 -4.746 -9.860 -5.011 1.00 0.00 O ATOM 1200 OE2 GLU A 80 -6.587 -10.874 -5.666 1.00 0.00 O ATOM 0 H GLU A 80 -3.146 -8.024 -8.277 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.722 -7.998 -9.465 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.630 -7.688 -6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.351 -7.666 -6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.222 -9.935 -7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.485 -9.959 -7.700 1.00 0.00 H new ATOM 1207 N TRP A 81 -4.500 -5.119 -8.540 1.00 0.00 N ATOM 1208 CA TRP A 81 -4.757 -3.693 -8.510 1.00 0.00 C ATOM 1209 C TRP A 81 -5.016 -3.179 -9.921 1.00 0.00 C ATOM 1210 O TRP A 81 -4.105 -3.014 -10.723 1.00 0.00 O ATOM 1211 CB TRP A 81 -3.633 -2.945 -7.799 1.00 0.00 C ATOM 1212 CG TRP A 81 -4.098 -1.670 -7.163 1.00 0.00 C ATOM 1213 CD1 TRP A 81 -3.679 -0.426 -7.483 1.00 0.00 C ATOM 1214 CD2 TRP A 81 -5.105 -1.496 -6.121 1.00 0.00 C ATOM 1215 NE1 TRP A 81 -4.330 0.501 -6.694 1.00 0.00 N ATOM 1216 CE2 TRP A 81 -5.206 -0.106 -5.814 1.00 0.00 C ATOM 1217 CE3 TRP A 81 -5.953 -2.379 -5.412 1.00 0.00 C ATOM 1218 CZ2 TRP A 81 -6.065 0.367 -4.808 1.00 0.00 C ATOM 1219 CZ3 TRP A 81 -6.823 -1.905 -4.413 1.00 0.00 C ATOM 1220 CH2 TRP A 81 -6.843 -0.543 -4.081 1.00 0.00 C ATOM 0 H TRP A 81 -3.518 -5.371 -8.427 1.00 0.00 H new ATOM 0 HA TRP A 81 -5.659 -3.503 -7.927 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.199 -3.590 -7.035 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.841 -2.722 -8.514 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.946 -0.192 -8.241 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.183 1.509 -6.753 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -5.932 -3.434 -5.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -6.125 1.424 -4.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -7.478 -2.593 -3.900 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -7.458 -0.195 -3.264 1.00 0.00 H new ATOM 1231 N HIS A 82 -6.291 -2.982 -10.229 1.00 0.00 N ATOM 1232 CA HIS A 82 -6.820 -2.489 -11.485 1.00 0.00 C ATOM 1233 C HIS A 82 -8.013 -1.615 -11.127 1.00 0.00 C ATOM 1234 O HIS A 82 -8.451 -1.599 -9.977 1.00 0.00 O ATOM 1235 CB HIS A 82 -7.267 -3.664 -12.375 1.00 0.00 C ATOM 1236 CG HIS A 82 -6.292 -3.978 -13.473 1.00 0.00 C ATOM 1237 ND1 HIS A 82 -6.521 -3.822 -14.823 1.00 0.00 N ATOM 1238 CD2 HIS A 82 -5.041 -4.504 -13.316 1.00 0.00 C ATOM 1239 CE1 HIS A 82 -5.433 -4.258 -15.473 1.00 0.00 C ATOM 1240 NE2 HIS A 82 -4.513 -4.701 -14.598 1.00 0.00 N ATOM 0 H HIS A 82 -7.032 -3.178 -9.556 1.00 0.00 H new ATOM 0 HA HIS A 82 -6.068 -1.929 -12.041 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.404 -4.550 -11.755 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.237 -3.430 -12.815 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -4.551 -4.726 -12.379 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -5.312 -4.254 -16.546 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -3.604 -5.104 -14.825 1.00 0.00 H new ATOM 1248 N ASP A 83 -8.552 -0.910 -12.118 1.00 0.00 N ATOM 1249 CA ASP A 83 -9.705 -0.011 -12.058 1.00 0.00 C ATOM 1250 C ASP A 83 -9.604 1.133 -11.041 1.00 0.00 C ATOM 1251 O ASP A 83 -10.495 1.984 -10.981 1.00 0.00 O ATOM 1252 CB ASP A 83 -10.998 -0.831 -11.870 1.00 0.00 C ATOM 1253 CG ASP A 83 -12.016 -0.670 -12.996 1.00 0.00 C ATOM 1254 OD1 ASP A 83 -12.181 0.461 -13.513 1.00 0.00 O ATOM 1255 OD2 ASP A 83 -12.655 -1.711 -13.298 1.00 0.00 O ATOM 0 H ASP A 83 -8.164 -0.955 -13.060 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.725 0.505 -13.018 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.736 -1.885 -11.782 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.465 -0.539 -10.930 1.00 0.00 H new ATOM 1260 N SER A 84 -8.552 1.201 -10.227 1.00 0.00 N ATOM 1261 CA SER A 84 -8.360 2.236 -9.244 1.00 0.00 C ATOM 1262 C SER A 84 -7.517 3.341 -9.855 1.00 0.00 C ATOM 1263 O SER A 84 -6.741 3.139 -10.789 1.00 0.00 O ATOM 1264 CB SER A 84 -7.681 1.670 -7.991 1.00 0.00 C ATOM 1265 OG SER A 84 -7.719 2.683 -6.999 1.00 0.00 O ATOM 0 H SER A 84 -7.797 0.515 -10.243 1.00 0.00 H new ATOM 0 HA SER A 84 -9.328 2.639 -8.944 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.197 0.774 -7.646 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.652 1.382 -8.208 1.00 0.00 H new ATOM 0 HG SER A 84 -8.021 2.298 -6.150 1.00 0.00 H new ATOM 1271 N ASP A 85 -7.668 4.522 -9.278 1.00 0.00 N ATOM 1272 CA ASP A 85 -6.973 5.745 -9.637 1.00 0.00 C ATOM 1273 C ASP A 85 -5.925 6.032 -8.547 1.00 0.00 C ATOM 1274 O ASP A 85 -5.276 7.073 -8.570 1.00 0.00 O ATOM 1275 CB ASP A 85 -7.993 6.885 -9.803 1.00 0.00 C ATOM 1276 CG ASP A 85 -9.165 6.464 -10.696 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -8.985 6.303 -11.926 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -10.250 6.160 -10.150 1.00 0.00 O ATOM 0 H ASP A 85 -8.316 4.659 -8.502 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.454 5.649 -10.591 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.369 7.184 -8.824 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.500 7.756 -10.235 1.00 0.00 H new ATOM 1283 N TRP A 86 -5.795 5.132 -7.560 1.00 0.00 N ATOM 1284 CA TRP A 86 -4.856 5.228 -6.447 1.00 0.00 C ATOM 1285 C TRP A 86 -3.614 4.424 -6.854 1.00 0.00 C ATOM 1286 O TRP A 86 -3.751 3.271 -7.274 1.00 0.00 O ATOM 1287 CB TRP A 86 -5.477 4.647 -5.163 1.00 0.00 C ATOM 1288 CG TRP A 86 -6.768 5.206 -4.612 1.00 0.00 C ATOM 1289 CD1 TRP A 86 -7.926 5.419 -5.284 1.00 0.00 C ATOM 1290 CD2 TRP A 86 -7.096 5.457 -3.210 1.00 0.00 C ATOM 1291 NE1 TRP A 86 -8.941 5.748 -4.405 1.00 0.00 N ATOM 1292 CE2 TRP A 86 -8.489 5.745 -3.104 1.00 0.00 C ATOM 1293 CE3 TRP A 86 -6.362 5.432 -2.007 1.00 0.00 C ATOM 1294 CZ2 TRP A 86 -9.120 5.955 -1.869 1.00 0.00 C ATOM 1295 CZ3 TRP A 86 -6.983 5.628 -0.761 1.00 0.00 C ATOM 1296 CH2 TRP A 86 -8.364 5.880 -0.690 1.00 0.00 C ATOM 0 H TRP A 86 -6.366 4.288 -7.520 1.00 0.00 H new ATOM 0 HA TRP A 86 -4.601 6.267 -6.238 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -5.636 3.583 -5.336 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -4.728 4.734 -4.376 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.040 5.342 -6.355 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -9.898 5.964 -4.683 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -5.297 5.258 -2.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -10.177 6.172 -1.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -6.397 5.585 0.145 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -8.841 6.015 0.269 1.00 0.00 H new ATOM 1307 N ILE A 87 -2.417 5.006 -6.746 1.00 0.00 N ATOM 1308 CA ILE A 87 -1.170 4.346 -7.136 1.00 0.00 C ATOM 1309 C ILE A 87 -0.658 3.468 -5.989 1.00 0.00 C ATOM 1310 O ILE A 87 -0.501 3.956 -4.866 1.00 0.00 O ATOM 1311 CB ILE A 87 -0.122 5.404 -7.573 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -0.664 6.391 -8.641 1.00 0.00 C ATOM 1313 CG2 ILE A 87 1.120 4.699 -8.153 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -1.258 7.681 -8.055 1.00 0.00 C ATOM 0 H ILE A 87 -2.286 5.951 -6.385 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.353 3.694 -7.990 1.00 0.00 H new ATOM 0 HB ILE A 87 0.127 5.978 -6.680 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.145 6.653 -9.323 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.429 5.887 -9.232 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.853 5.446 -8.458 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.558 4.050 -7.394 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.829 4.102 -9.017 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.615 8.318 -8.865 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.090 7.432 -7.396 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.492 8.210 -7.488 1.00 0.00 H new ATOM 1326 N LEU A 88 -0.346 2.201 -6.287 1.00 0.00 N ATOM 1327 CA LEU A 88 0.157 1.164 -5.379 1.00 0.00 C ATOM 1328 C LEU A 88 1.643 0.924 -5.655 1.00 0.00 C ATOM 1329 O LEU A 88 1.986 0.561 -6.781 1.00 0.00 O ATOM 1330 CB LEU A 88 -0.632 -0.138 -5.651 1.00 0.00 C ATOM 1331 CG LEU A 88 -0.145 -1.386 -4.877 1.00 0.00 C ATOM 1332 CD1 LEU A 88 -0.576 -1.335 -3.410 1.00 0.00 C ATOM 1333 CD2 LEU A 88 -0.734 -2.659 -5.497 1.00 0.00 C ATOM 0 H LEU A 88 -0.446 1.848 -7.239 1.00 0.00 H new ATOM 0 HA LEU A 88 0.031 1.475 -4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.680 0.035 -5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.587 -0.353 -6.719 1.00 0.00 H new ATOM 0 HG LEU A 88 0.943 -1.397 -4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.218 -2.226 -2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.154 -0.448 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.664 -1.294 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.383 -3.530 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.822 -2.615 -5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.416 -2.738 -6.536 1.00 0.00 H new ATOM 1345 N SER A 89 2.531 1.142 -4.680 1.00 0.00 N ATOM 1346 CA SER A 89 3.967 0.911 -4.851 1.00 0.00 C ATOM 1347 C SER A 89 4.580 0.246 -3.606 1.00 0.00 C ATOM 1348 O SER A 89 3.912 0.119 -2.575 1.00 0.00 O ATOM 1349 CB SER A 89 4.662 2.193 -5.328 1.00 0.00 C ATOM 1350 OG SER A 89 4.616 3.250 -4.382 1.00 0.00 O ATOM 0 H SER A 89 2.275 1.482 -3.753 1.00 0.00 H new ATOM 0 HA SER A 89 4.134 0.185 -5.647 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.703 1.968 -5.558 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.195 2.526 -6.255 1.00 0.00 H new ATOM 0 HG SER A 89 5.077 4.035 -4.746 1.00 0.00 H new ATOM 1356 N VAL A 90 5.850 -0.170 -3.687 1.00 0.00 N ATOM 1357 CA VAL A 90 6.568 -0.838 -2.601 1.00 0.00 C ATOM 1358 C VAL A 90 7.976 -0.246 -2.412 1.00 0.00 C ATOM 1359 O VAL A 90 8.887 -0.604 -3.162 1.00 0.00 O ATOM 1360 CB VAL A 90 6.556 -2.372 -2.815 1.00 0.00 C ATOM 1361 CG1 VAL A 90 6.942 -2.848 -4.229 1.00 0.00 C ATOM 1362 CG2 VAL A 90 7.437 -3.108 -1.791 1.00 0.00 C ATOM 0 H VAL A 90 6.416 -0.048 -4.527 1.00 0.00 H new ATOM 0 HA VAL A 90 6.051 -0.653 -1.660 1.00 0.00 H new ATOM 0 HB VAL A 90 5.506 -2.629 -2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.902 -3.936 -4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.245 -2.431 -4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.953 -2.513 -4.462 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.397 -4.181 -1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 90 8.467 -2.762 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.073 -2.904 -0.784 1.00 0.00 H new ATOM 1372 N PRO A 91 8.180 0.679 -1.459 1.00 0.00 N ATOM 1373 CA PRO A 91 9.478 1.275 -1.173 1.00 0.00 C ATOM 1374 C PRO A 91 10.302 0.300 -0.300 1.00 0.00 C ATOM 1375 O PRO A 91 9.972 -0.890 -0.182 1.00 0.00 O ATOM 1376 CB PRO A 91 9.133 2.583 -0.451 1.00 0.00 C ATOM 1377 CG PRO A 91 7.900 2.203 0.365 1.00 0.00 C ATOM 1378 CD PRO A 91 7.187 1.189 -0.533 1.00 0.00 C ATOM 0 HA PRO A 91 10.090 1.471 -2.053 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.951 2.922 0.185 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.921 3.389 -1.153 1.00 0.00 H new ATOM 0 HG2 PRO A 91 8.172 1.768 1.327 1.00 0.00 H new ATOM 0 HG3 PRO A 91 7.272 3.069 0.573 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.760 0.380 0.060 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.363 1.660 -1.070 1.00 0.00 H new ATOM 1386 N ALA A 92 11.386 0.783 0.305 1.00 0.00 N ATOM 1387 CA ALA A 92 12.286 0.049 1.180 1.00 0.00 C ATOM 1388 C ALA A 92 12.595 0.935 2.371 1.00 0.00 C ATOM 1389 O ALA A 92 12.776 2.165 2.182 1.00 0.00 O ATOM 1390 CB ALA A 92 13.564 -0.328 0.429 1.00 0.00 C ATOM 0 H ALA A 92 11.672 1.755 0.188 1.00 0.00 H new ATOM 0 HA ALA A 92 11.823 -0.878 1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 92 14.229 -0.877 1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.312 -0.953 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.063 0.577 0.083 1.00 0.00 H new TER 1396 ALA A 92