USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 957 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (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=-0.00645 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 22 LYS NZ :NH3+ 169:sc= -0.989 (180deg=-1.36) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.321 K(o=0.32,f=-4.5!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.908 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.634 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -52:sc= 0.978 USER MOD Single : A 57 SER OG : rot -72:sc= 1.12 USER MOD Single : A 62 SER OG : rot -71:sc= -0.215 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.294 K(o=-0.29,f=-1.9!) USER MOD Single : A 74 ASN : amide:sc= 0.0574 X(o=0.057,f=0.38) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.943 K(o=-0.94,f=-1.5!) USER MOD Single : A 83 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.4) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 37:sc= 0.382 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc=-0.00399 X(o=-0.004,f=-0.095) USER MOD Single : A 99 THR OG1 : rot 77:sc= 0.0201 USER MOD Single : A 101 LYS NZ :NH3+ -172:sc= -0.0762 (180deg=-0.168) USER MOD Single : A 108 HIS : no HD1:sc= -0.523 K(o=-0.52,f=-0.014) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 112 THR OG1 : rot -60:sc= 0.656 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 18:sc= 0.34 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.910 42.711 14.577 1.00 0.00 N ATOM 2 CA GLY A 1 -22.889 43.586 13.873 1.00 0.00 C ATOM 3 C GLY A 1 -24.324 43.249 14.221 1.00 0.00 C ATOM 4 O GLY A 1 -25.006 44.025 14.890 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.944 42.982 14.305 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.024 42.820 15.605 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.078 41.719 14.313 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.691 44.627 14.130 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.748 43.491 12.796 1.00 0.00 H new ATOM 10 N SER A 2 -24.785 42.088 13.765 1.00 0.00 N ATOM 11 CA SER A 2 -26.150 41.649 14.031 1.00 0.00 C ATOM 12 C SER A 2 -27.161 42.634 13.452 1.00 0.00 C ATOM 13 O SER A 2 -27.555 43.594 14.113 1.00 0.00 O ATOM 14 CB SER A 2 -26.374 41.497 15.536 1.00 0.00 C ATOM 15 OG SER A 2 -27.202 40.383 15.819 1.00 0.00 O ATOM 0 H SER A 2 -24.233 41.435 13.210 1.00 0.00 H new ATOM 0 HA SER A 2 -26.295 40.682 13.549 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.415 41.378 16.039 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.831 42.404 15.932 1.00 0.00 H new ATOM 0 HG SER A 2 -27.328 40.307 16.788 1.00 0.00 H new ATOM 21 N SER A 3 -27.575 42.389 12.213 1.00 0.00 N ATOM 22 CA SER A 3 -28.540 43.253 11.544 1.00 0.00 C ATOM 23 C SER A 3 -29.879 42.544 11.372 1.00 0.00 C ATOM 24 O SER A 3 -30.938 43.163 11.467 1.00 0.00 O ATOM 25 CB SER A 3 -28.004 43.692 10.180 1.00 0.00 C ATOM 26 OG SER A 3 -28.755 44.775 9.661 1.00 0.00 O ATOM 0 H SER A 3 -27.257 41.599 11.652 1.00 0.00 H new ATOM 0 HA SER A 3 -28.693 44.134 12.167 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.958 43.983 10.274 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.041 42.854 9.484 1.00 0.00 H new ATOM 0 HG SER A 3 -28.391 45.037 8.790 1.00 0.00 H new ATOM 32 N GLY A 4 -29.824 41.239 11.120 1.00 0.00 N ATOM 33 CA GLY A 4 -31.039 40.467 10.939 1.00 0.00 C ATOM 34 C GLY A 4 -31.809 40.286 12.232 1.00 0.00 C ATOM 35 O GLY A 4 -32.712 41.064 12.539 1.00 0.00 O ATOM 0 H GLY A 4 -28.960 40.703 11.038 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -31.676 40.964 10.207 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.787 39.489 10.530 1.00 0.00 H new ATOM 39 N SER A 5 -31.452 39.255 12.991 1.00 0.00 N ATOM 40 CA SER A 5 -32.116 38.973 14.258 1.00 0.00 C ATOM 41 C SER A 5 -31.116 38.477 15.298 1.00 0.00 C ATOM 42 O SER A 5 -30.010 38.057 14.959 1.00 0.00 O ATOM 43 CB SER A 5 -33.221 37.933 14.059 1.00 0.00 C ATOM 44 OG SER A 5 -34.014 37.801 15.225 1.00 0.00 O ATOM 0 H SER A 5 -30.707 38.601 12.751 1.00 0.00 H new ATOM 0 HA SER A 5 -32.560 39.900 14.621 1.00 0.00 H new ATOM 0 HB2 SER A 5 -33.851 38.224 13.218 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.777 36.970 13.807 1.00 0.00 H new ATOM 0 HG SER A 5 -34.713 37.132 15.071 1.00 0.00 H new ATOM 50 N SER A 6 -31.514 38.530 16.565 1.00 0.00 N ATOM 51 CA SER A 6 -30.653 38.085 17.655 1.00 0.00 C ATOM 52 C SER A 6 -30.849 36.599 17.932 1.00 0.00 C ATOM 53 O SER A 6 -31.892 36.029 17.608 1.00 0.00 O ATOM 54 CB SER A 6 -30.941 38.894 18.922 1.00 0.00 C ATOM 55 OG SER A 6 -31.502 40.156 18.605 1.00 0.00 O ATOM 0 H SER A 6 -32.426 38.876 16.862 1.00 0.00 H new ATOM 0 HA SER A 6 -29.617 38.246 17.356 1.00 0.00 H new ATOM 0 HB2 SER A 6 -31.625 38.339 19.564 1.00 0.00 H new ATOM 0 HB3 SER A 6 -30.018 39.034 19.485 1.00 0.00 H new ATOM 0 HG SER A 6 -31.678 40.652 19.431 1.00 0.00 H new ATOM 61 N GLY A 7 -29.840 35.976 18.531 1.00 0.00 N ATOM 62 CA GLY A 7 -29.921 34.560 18.841 1.00 0.00 C ATOM 63 C GLY A 7 -29.085 34.181 20.047 1.00 0.00 C ATOM 64 O GLY A 7 -29.046 34.911 21.038 1.00 0.00 O ATOM 0 H GLY A 7 -28.967 36.426 18.808 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -30.961 34.291 19.025 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -29.590 33.983 17.978 1.00 0.00 H new ATOM 68 N ASP A 8 -28.417 33.035 19.966 1.00 0.00 N ATOM 69 CA ASP A 8 -27.577 32.560 21.060 1.00 0.00 C ATOM 70 C ASP A 8 -26.440 31.690 20.534 1.00 0.00 C ATOM 71 O ASP A 8 -25.267 31.982 20.762 1.00 0.00 O ATOM 72 CB ASP A 8 -28.415 31.771 22.067 1.00 0.00 C ATOM 73 CG ASP A 8 -29.226 32.672 22.977 1.00 0.00 C ATOM 74 OD1 ASP A 8 -28.623 33.539 23.644 1.00 0.00 O ATOM 75 OD2 ASP A 8 -30.464 32.511 23.022 1.00 0.00 O ATOM 0 H ASP A 8 -28.441 32.418 19.154 1.00 0.00 H new ATOM 0 HA ASP A 8 -27.145 33.428 21.558 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -29.087 31.102 21.530 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -27.758 31.146 22.671 1.00 0.00 H new ATOM 80 N ARG A 9 -26.797 30.620 19.831 1.00 0.00 N ATOM 81 CA ARG A 9 -25.806 29.707 19.274 1.00 0.00 C ATOM 82 C ARG A 9 -26.282 29.134 17.942 1.00 0.00 C ATOM 83 O ARG A 9 -27.327 28.488 17.872 1.00 0.00 O ATOM 84 CB ARG A 9 -25.518 28.571 20.257 1.00 0.00 C ATOM 85 CG ARG A 9 -24.065 28.121 20.257 1.00 0.00 C ATOM 86 CD ARG A 9 -23.943 26.622 20.029 1.00 0.00 C ATOM 87 NE ARG A 9 -22.565 26.221 19.759 1.00 0.00 N ATOM 88 CZ ARG A 9 -22.144 24.958 19.773 1.00 0.00 C ATOM 89 NH1 ARG A 9 -22.990 23.972 20.046 1.00 0.00 N ATOM 90 NH2 ARG A 9 -20.873 24.679 19.514 1.00 0.00 N ATOM 0 H ARG A 9 -27.765 30.364 19.634 1.00 0.00 H new ATOM 0 HA ARG A 9 -24.888 30.269 19.100 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -25.790 28.893 21.262 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -26.153 27.720 20.012 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -23.519 28.654 19.479 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -23.602 28.384 21.208 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -24.310 26.091 20.907 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -24.577 26.330 19.192 1.00 0.00 H new ATOM 0 HE ARG A 9 -21.885 26.951 19.547 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -23.968 24.180 20.246 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -22.662 23.006 20.055 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -20.218 25.432 19.304 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -20.551 23.711 19.525 1.00 0.00 H new ATOM 104 N ARG A 10 -25.508 29.376 16.890 1.00 0.00 N ATOM 105 CA ARG A 10 -25.851 28.883 15.560 1.00 0.00 C ATOM 106 C ARG A 10 -24.680 29.053 14.598 1.00 0.00 C ATOM 107 O ARG A 10 -24.871 29.306 13.410 1.00 0.00 O ATOM 108 CB ARG A 10 -27.079 29.620 15.021 1.00 0.00 C ATOM 109 CG ARG A 10 -27.739 28.921 13.844 1.00 0.00 C ATOM 110 CD ARG A 10 -27.733 29.794 12.599 1.00 0.00 C ATOM 111 NE ARG A 10 -28.355 29.125 11.458 1.00 0.00 N ATOM 112 CZ ARG A 10 -27.801 28.107 10.803 1.00 0.00 C ATOM 113 NH1 ARG A 10 -26.615 27.639 11.172 1.00 0.00 N ATOM 114 NH2 ARG A 10 -28.434 27.556 9.776 1.00 0.00 N ATOM 0 H ARG A 10 -24.640 29.910 16.931 1.00 0.00 H new ATOM 0 HA ARG A 10 -26.080 27.820 15.642 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -27.808 29.729 15.824 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -26.785 30.625 14.718 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -27.218 27.987 13.636 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -28.766 28.663 14.103 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -28.262 30.724 12.806 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -26.706 30.060 12.348 1.00 0.00 H new ATOM 0 HE ARG A 10 -29.267 29.458 11.145 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -26.124 28.060 11.961 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -26.195 26.859 10.667 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -29.345 27.912 9.488 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -28.009 26.776 9.274 1.00 0.00 H new ATOM 128 N SER A 11 -23.466 28.911 15.121 1.00 0.00 N ATOM 129 CA SER A 11 -22.263 29.048 14.308 1.00 0.00 C ATOM 130 C SER A 11 -21.526 27.716 14.197 1.00 0.00 C ATOM 131 O SER A 11 -20.364 27.602 14.587 1.00 0.00 O ATOM 132 CB SER A 11 -21.338 30.111 14.907 1.00 0.00 C ATOM 133 OG SER A 11 -21.932 31.396 14.851 1.00 0.00 O ATOM 0 H SER A 11 -23.290 28.701 16.103 1.00 0.00 H new ATOM 0 HA SER A 11 -22.562 29.359 13.307 1.00 0.00 H new ATOM 0 HB2 SER A 11 -21.110 29.857 15.942 1.00 0.00 H new ATOM 0 HB3 SER A 11 -20.392 30.121 14.366 1.00 0.00 H new ATOM 0 HG SER A 11 -21.322 32.056 15.241 1.00 0.00 H new ATOM 139 N THR A 12 -22.213 26.711 13.662 1.00 0.00 N ATOM 140 CA THR A 12 -21.625 25.386 13.500 1.00 0.00 C ATOM 141 C THR A 12 -21.317 25.104 12.032 1.00 0.00 C ATOM 142 O THR A 12 -21.372 23.958 11.586 1.00 0.00 O ATOM 143 CB THR A 12 -22.568 24.316 14.051 1.00 0.00 C ATOM 144 OG1 THR A 12 -23.417 24.860 15.046 1.00 0.00 O ATOM 145 CG2 THR A 12 -21.842 23.137 14.661 1.00 0.00 C ATOM 0 H THR A 12 -23.176 26.789 13.334 1.00 0.00 H new ATOM 0 HA THR A 12 -20.690 25.359 14.060 1.00 0.00 H new ATOM 0 HB THR A 12 -23.141 23.965 13.193 1.00 0.00 H new ATOM 0 HG1 THR A 12 -24.014 24.160 15.385 1.00 0.00 H new ATOM 0 HG21 THR A 12 -22.569 22.415 15.033 1.00 0.00 H new ATOM 0 HG22 THR A 12 -21.215 22.665 13.905 1.00 0.00 H new ATOM 0 HG23 THR A 12 -21.218 23.481 15.486 1.00 0.00 H new ATOM 153 N LEU A 13 -20.994 26.156 11.287 1.00 0.00 N ATOM 154 CA LEU A 13 -20.678 26.021 9.871 1.00 0.00 C ATOM 155 C LEU A 13 -19.189 26.243 9.623 1.00 0.00 C ATOM 156 O LEU A 13 -18.754 27.365 9.364 1.00 0.00 O ATOM 157 CB LEU A 13 -21.497 27.015 9.046 1.00 0.00 C ATOM 158 CG LEU A 13 -22.989 26.690 8.933 1.00 0.00 C ATOM 159 CD1 LEU A 13 -23.781 27.449 9.987 1.00 0.00 C ATOM 160 CD2 LEU A 13 -23.502 27.016 7.540 1.00 0.00 C ATOM 0 H LEU A 13 -20.944 27.111 11.641 1.00 0.00 H new ATOM 0 HA LEU A 13 -20.933 25.007 9.563 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -21.389 28.006 9.487 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -21.075 27.065 8.042 1.00 0.00 H new ATOM 0 HG LEU A 13 -23.123 25.622 9.106 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -24.839 27.206 9.892 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -23.431 27.165 10.980 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -23.641 28.521 9.846 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -24.564 26.778 7.479 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -23.355 28.077 7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -22.955 26.427 6.804 1.00 0.00 H new ATOM 172 N HIS A 14 -18.413 25.168 9.704 1.00 0.00 N ATOM 173 CA HIS A 14 -16.973 25.246 9.489 1.00 0.00 C ATOM 174 C HIS A 14 -16.418 23.904 9.022 1.00 0.00 C ATOM 175 O HIS A 14 -17.120 22.893 9.034 1.00 0.00 O ATOM 176 CB HIS A 14 -16.268 25.684 10.774 1.00 0.00 C ATOM 177 CG HIS A 14 -16.681 24.899 11.980 1.00 0.00 C ATOM 178 ND1 HIS A 14 -16.166 23.655 12.282 1.00 0.00 N ATOM 179 CD2 HIS A 14 -17.566 25.187 12.964 1.00 0.00 C ATOM 180 CE1 HIS A 14 -16.718 23.212 13.398 1.00 0.00 C ATOM 181 NE2 HIS A 14 -17.569 24.123 13.832 1.00 0.00 N ATOM 0 H HIS A 14 -18.757 24.232 9.917 1.00 0.00 H new ATOM 0 HA HIS A 14 -16.787 25.985 8.710 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -15.191 25.587 10.639 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -16.474 26.740 10.950 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -18.159 26.086 13.050 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -16.508 22.265 13.874 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -18.137 24.049 14.676 1.00 0.00 H new ATOM 190 N LEU A 15 -15.154 23.904 8.610 1.00 0.00 N ATOM 191 CA LEU A 15 -14.504 22.686 8.139 1.00 0.00 C ATOM 192 C LEU A 15 -13.229 22.409 8.929 1.00 0.00 C ATOM 193 O LEU A 15 -12.229 23.112 8.779 1.00 0.00 O ATOM 194 CB LEU A 15 -14.180 22.800 6.648 1.00 0.00 C ATOM 195 CG LEU A 15 -15.299 22.356 5.706 1.00 0.00 C ATOM 196 CD1 LEU A 15 -15.123 22.986 4.333 1.00 0.00 C ATOM 197 CD2 LEU A 15 -15.331 20.839 5.596 1.00 0.00 C ATOM 0 H LEU A 15 -14.560 24.733 8.593 1.00 0.00 H new ATOM 0 HA LEU A 15 -15.192 21.854 8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -13.928 23.837 6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -13.292 22.204 6.438 1.00 0.00 H new ATOM 0 HG LEU A 15 -16.250 22.692 6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -15.929 22.658 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -15.149 24.072 4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -14.165 22.680 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -16.133 20.540 4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -14.378 20.482 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -15.505 20.406 6.581 1.00 0.00 H new ATOM 209 N LEU A 16 -13.271 21.381 9.769 1.00 0.00 N ATOM 210 CA LEU A 16 -12.119 21.010 10.583 1.00 0.00 C ATOM 211 C LEU A 16 -11.464 19.739 10.049 1.00 0.00 C ATOM 212 O LEU A 16 -11.689 18.646 10.568 1.00 0.00 O ATOM 213 CB LEU A 16 -12.542 20.813 12.041 1.00 0.00 C ATOM 214 CG LEU A 16 -11.584 21.400 13.079 1.00 0.00 C ATOM 215 CD1 LEU A 16 -11.595 22.919 13.018 1.00 0.00 C ATOM 216 CD2 LEU A 16 -11.952 20.918 14.475 1.00 0.00 C ATOM 0 H LEU A 16 -14.091 20.789 9.904 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.390 21.819 10.532 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.525 21.262 12.182 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.649 19.745 12.231 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.575 21.056 12.850 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.907 23.318 13.764 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.284 23.246 12.026 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.602 23.284 13.221 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.260 21.345 15.201 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.968 21.233 14.713 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.891 19.830 14.512 1.00 0.00 H new ATOM 228 N GLN A 17 -10.650 19.892 9.008 1.00 0.00 N ATOM 229 CA GLN A 17 -9.963 18.756 8.404 1.00 0.00 C ATOM 230 C GLN A 17 -8.595 19.168 7.871 1.00 0.00 C ATOM 231 O GLN A 17 -8.209 20.333 7.958 1.00 0.00 O ATOM 232 CB GLN A 17 -10.807 18.165 7.273 1.00 0.00 C ATOM 233 CG GLN A 17 -12.172 17.674 7.725 1.00 0.00 C ATOM 234 CD GLN A 17 -12.705 16.552 6.857 1.00 0.00 C ATOM 235 OE1 GLN A 17 -12.326 16.418 5.693 1.00 0.00 O ATOM 236 NE2 GLN A 17 -13.590 15.736 7.420 1.00 0.00 N ATOM 0 H GLN A 17 -10.451 20.790 8.567 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.820 17.999 9.175 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.940 18.920 6.498 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.263 17.336 6.821 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.107 17.330 8.757 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.876 18.506 7.710 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -13.876 15.884 8.388 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.983 14.962 6.884 1.00 0.00 H new ATOM 245 N GLY A 18 -7.867 18.204 7.318 1.00 0.00 N ATOM 246 CA GLY A 18 -6.550 18.485 6.777 1.00 0.00 C ATOM 247 C GLY A 18 -5.613 17.298 6.885 1.00 0.00 C ATOM 248 O GLY A 18 -5.034 16.864 5.889 1.00 0.00 O ATOM 0 H GLY A 18 -8.166 17.232 7.235 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.645 18.775 5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.117 19.335 7.305 1.00 0.00 H new ATOM 252 N GLY A 19 -5.462 16.774 8.096 1.00 0.00 N ATOM 253 CA GLY A 19 -4.587 15.635 8.308 1.00 0.00 C ATOM 254 C GLY A 19 -5.338 14.318 8.309 1.00 0.00 C ATOM 255 O GLY A 19 -4.923 13.360 8.962 1.00 0.00 O ATOM 0 H GLY A 19 -5.930 17.117 8.935 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.826 15.615 7.528 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.066 15.753 9.258 1.00 0.00 H new ATOM 259 N ASP A 20 -6.445 14.270 7.576 1.00 0.00 N ATOM 260 CA ASP A 20 -7.255 13.060 7.495 1.00 0.00 C ATOM 261 C ASP A 20 -6.745 12.137 6.394 1.00 0.00 C ATOM 262 O ASP A 20 -6.715 12.510 5.220 1.00 0.00 O ATOM 263 CB ASP A 20 -8.720 13.418 7.237 1.00 0.00 C ATOM 264 CG ASP A 20 -9.644 12.227 7.399 1.00 0.00 C ATOM 265 OD1 ASP A 20 -9.436 11.440 8.345 1.00 0.00 O ATOM 266 OD2 ASP A 20 -10.575 12.082 6.579 1.00 0.00 O ATOM 0 H ASP A 20 -6.802 15.054 7.030 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.178 12.537 8.448 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.025 14.207 7.925 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.821 13.818 6.228 1.00 0.00 H new ATOM 271 N GLU A 21 -6.342 10.930 6.779 1.00 0.00 N ATOM 272 CA GLU A 21 -5.832 9.953 5.823 1.00 0.00 C ATOM 273 C GLU A 21 -6.976 9.196 5.157 1.00 0.00 C ATOM 274 O GLU A 21 -7.932 8.789 5.817 1.00 0.00 O ATOM 275 CB GLU A 21 -4.892 8.969 6.521 1.00 0.00 C ATOM 276 CG GLU A 21 -3.472 9.490 6.676 1.00 0.00 C ATOM 277 CD GLU A 21 -3.407 10.764 7.496 1.00 0.00 C ATOM 278 OE1 GLU A 21 -3.374 10.667 8.741 1.00 0.00 O ATOM 279 OE2 GLU A 21 -3.388 11.858 6.894 1.00 0.00 O ATOM 0 H GLU A 21 -6.359 10.605 7.746 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.278 10.490 5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.293 8.733 7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.869 8.038 5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.857 8.725 7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.046 9.675 5.690 1.00 0.00 H new ATOM 286 N LYS A 22 -6.870 9.010 3.845 1.00 0.00 N ATOM 287 CA LYS A 22 -7.896 8.301 3.089 1.00 0.00 C ATOM 288 C LYS A 22 -7.526 6.831 2.916 1.00 0.00 C ATOM 289 O LYS A 22 -6.400 6.504 2.544 1.00 0.00 O ATOM 290 CB LYS A 22 -8.092 8.953 1.719 1.00 0.00 C ATOM 291 CG LYS A 22 -9.272 8.394 0.941 1.00 0.00 C ATOM 292 CD LYS A 22 -9.243 8.839 -0.513 1.00 0.00 C ATOM 293 CE LYS A 22 -8.680 7.753 -1.418 1.00 0.00 C ATOM 294 NZ LYS A 22 -9.740 7.119 -2.250 1.00 0.00 N ATOM 0 H LYS A 22 -6.085 9.340 3.284 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.829 8.359 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.232 10.026 1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.184 8.821 1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.258 7.305 0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.203 8.722 1.404 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.252 9.096 -0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.639 9.741 -0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.916 8.181 -2.067 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.191 6.991 -0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.299 6.523 -2.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.351 6.533 -1.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.311 7.858 -2.707 1.00 0.00 H new ATOM 308 N LYS A 23 -8.484 5.950 3.189 1.00 0.00 N ATOM 309 CA LYS A 23 -8.259 4.514 3.062 1.00 0.00 C ATOM 310 C LYS A 23 -9.098 3.930 1.930 1.00 0.00 C ATOM 311 O LYS A 23 -10.270 4.272 1.774 1.00 0.00 O ATOM 312 CB LYS A 23 -8.591 3.809 4.380 1.00 0.00 C ATOM 313 CG LYS A 23 -7.364 3.349 5.150 1.00 0.00 C ATOM 314 CD LYS A 23 -7.740 2.444 6.312 1.00 0.00 C ATOM 315 CE LYS A 23 -6.536 2.127 7.184 1.00 0.00 C ATOM 316 NZ LYS A 23 -6.557 0.718 7.666 1.00 0.00 N ATOM 0 H LYS A 23 -9.422 6.205 3.499 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.207 4.353 2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.171 4.485 5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.223 2.946 4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.690 2.818 4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.822 4.217 5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.510 2.925 6.915 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.167 1.517 5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.621 2.304 6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.518 2.803 8.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.720 0.541 8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.418 0.556 8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.548 0.072 6.851 1.00 0.00 H new ATOM 330 N VAL A 24 -8.489 3.047 1.145 1.00 0.00 N ATOM 331 CA VAL A 24 -9.180 2.416 0.027 1.00 0.00 C ATOM 332 C VAL A 24 -9.052 0.898 0.092 1.00 0.00 C ATOM 333 O VAL A 24 -8.095 0.322 -0.426 1.00 0.00 O ATOM 334 CB VAL A 24 -8.632 2.909 -1.327 1.00 0.00 C ATOM 335 CG1 VAL A 24 -9.464 2.359 -2.475 1.00 0.00 C ATOM 336 CG2 VAL A 24 -8.596 4.430 -1.367 1.00 0.00 C ATOM 0 H VAL A 24 -7.519 2.753 1.263 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.231 2.695 0.106 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.612 2.540 -1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.061 2.719 -3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.433 1.270 -2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.496 2.694 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.206 4.760 -2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.604 4.822 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.952 4.800 -0.569 1.00 0.00 H new ATOM 346 N ASN A 25 -10.024 0.253 0.730 1.00 0.00 N ATOM 347 CA ASN A 25 -10.020 -1.199 0.862 1.00 0.00 C ATOM 348 C ASN A 25 -10.538 -1.863 -0.409 1.00 0.00 C ATOM 349 O ASN A 25 -11.622 -1.537 -0.894 1.00 0.00 O ATOM 350 CB ASN A 25 -10.873 -1.625 2.058 1.00 0.00 C ATOM 351 CG ASN A 25 -12.315 -1.171 1.932 1.00 0.00 C ATOM 352 OD1 ASN A 25 -12.589 0.005 1.692 1.00 0.00 O ATOM 353 ND2 ASN A 25 -13.245 -2.105 2.092 1.00 0.00 N ATOM 0 H ASN A 25 -10.824 0.714 1.164 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.991 -1.521 1.025 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.844 -2.710 2.153 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.444 -1.213 2.972 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.232 -1.860 2.017 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.972 -3.068 2.290 1.00 0.00 H new ATOM 360 N LEU A 26 -9.757 -2.795 -0.945 1.00 0.00 N ATOM 361 CA LEU A 26 -10.138 -3.505 -2.161 1.00 0.00 C ATOM 362 C LEU A 26 -9.999 -5.013 -1.977 1.00 0.00 C ATOM 363 O LEU A 26 -8.966 -5.499 -1.517 1.00 0.00 O ATOM 364 CB LEU A 26 -9.278 -3.042 -3.337 1.00 0.00 C ATOM 365 CG LEU A 26 -9.127 -1.526 -3.472 1.00 0.00 C ATOM 366 CD1 LEU A 26 -8.071 -1.184 -4.511 1.00 0.00 C ATOM 367 CD2 LEU A 26 -10.461 -0.890 -3.836 1.00 0.00 C ATOM 0 H LEU A 26 -8.857 -3.076 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.183 -3.278 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.286 -3.483 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.710 -3.432 -4.259 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.804 -1.125 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.978 -0.101 -4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.113 -1.609 -4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.363 -1.597 -5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.337 0.189 -3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.812 -1.297 -4.784 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.192 -1.106 -3.056 1.00 0.00 H new ATOM 379 N VAL A 27 -11.046 -5.747 -2.339 1.00 0.00 N ATOM 380 CA VAL A 27 -11.040 -7.200 -2.215 1.00 0.00 C ATOM 381 C VAL A 27 -10.830 -7.867 -3.570 1.00 0.00 C ATOM 382 O VAL A 27 -11.733 -7.892 -4.406 1.00 0.00 O ATOM 383 CB VAL A 27 -12.353 -7.717 -1.599 1.00 0.00 C ATOM 384 CG1 VAL A 27 -12.251 -9.203 -1.291 1.00 0.00 C ATOM 385 CG2 VAL A 27 -12.702 -6.928 -0.346 1.00 0.00 C ATOM 0 H VAL A 27 -11.909 -5.360 -2.720 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.212 -7.457 -1.554 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.154 -7.575 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.189 -9.550 -0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.053 -9.753 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.439 -9.373 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.633 -7.307 0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.902 -7.035 0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.822 -5.875 -0.601 1.00 0.00 H new ATOM 395 N LEU A 28 -9.634 -8.407 -3.779 1.00 0.00 N ATOM 396 CA LEU A 28 -9.305 -9.074 -5.033 1.00 0.00 C ATOM 397 C LEU A 28 -9.620 -10.565 -4.954 1.00 0.00 C ATOM 398 O LEU A 28 -9.189 -11.252 -4.029 1.00 0.00 O ATOM 399 CB LEU A 28 -7.827 -8.871 -5.372 1.00 0.00 C ATOM 400 CG LEU A 28 -7.381 -7.412 -5.472 1.00 0.00 C ATOM 401 CD1 LEU A 28 -5.867 -7.323 -5.588 1.00 0.00 C ATOM 402 CD2 LEU A 28 -8.049 -6.733 -6.657 1.00 0.00 C ATOM 0 H LEU A 28 -8.877 -8.396 -3.096 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.915 -8.632 -5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.224 -9.368 -4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.616 -9.365 -6.320 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.685 -6.895 -4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.568 -6.277 -5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.408 -7.773 -4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.539 -7.855 -6.481 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.721 -5.695 -6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.774 -7.251 -7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.131 -6.765 -6.532 1.00 0.00 H new ATOM 414 N GLY A 29 -10.377 -11.057 -5.929 1.00 0.00 N ATOM 415 CA GLY A 29 -10.736 -12.462 -5.951 1.00 0.00 C ATOM 416 C GLY A 29 -9.550 -13.361 -6.238 1.00 0.00 C ATOM 417 O GLY A 29 -8.876 -13.825 -5.317 1.00 0.00 O ATOM 0 H GLY A 29 -10.748 -10.508 -6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.172 -12.737 -4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.503 -12.626 -6.708 1.00 0.00 H new ATOM 421 N ASP A 30 -9.293 -13.609 -7.518 1.00 0.00 N ATOM 422 CA ASP A 30 -8.179 -14.459 -7.924 1.00 0.00 C ATOM 423 C ASP A 30 -6.996 -13.618 -8.393 1.00 0.00 C ATOM 424 O ASP A 30 -6.326 -13.961 -9.368 1.00 0.00 O ATOM 425 CB ASP A 30 -8.620 -15.411 -9.038 1.00 0.00 C ATOM 426 CG ASP A 30 -8.056 -16.807 -8.861 1.00 0.00 C ATOM 427 OD1 ASP A 30 -8.026 -17.294 -7.712 1.00 0.00 O ATOM 428 OD2 ASP A 30 -7.644 -17.414 -9.872 1.00 0.00 O ATOM 0 H ASP A 30 -9.841 -13.234 -8.292 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.864 -15.043 -7.060 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.709 -15.462 -9.059 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.301 -15.012 -10.001 1.00 0.00 H new ATOM 433 N GLY A 31 -6.744 -12.517 -7.694 1.00 0.00 N ATOM 434 CA GLY A 31 -5.642 -11.645 -8.056 1.00 0.00 C ATOM 435 C GLY A 31 -5.979 -10.743 -9.226 1.00 0.00 C ATOM 436 O GLY A 31 -5.312 -10.782 -10.261 1.00 0.00 O ATOM 0 H GLY A 31 -7.283 -12.213 -6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.369 -11.033 -7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.771 -12.250 -8.306 1.00 0.00 H new ATOM 440 N ARG A 32 -7.018 -9.930 -9.064 1.00 0.00 N ATOM 441 CA ARG A 32 -7.446 -9.014 -10.116 1.00 0.00 C ATOM 442 C ARG A 32 -6.528 -7.795 -10.203 1.00 0.00 C ATOM 443 O ARG A 32 -6.676 -6.961 -11.096 1.00 0.00 O ATOM 444 CB ARG A 32 -8.887 -8.564 -9.871 1.00 0.00 C ATOM 445 CG ARG A 32 -9.809 -9.687 -9.423 1.00 0.00 C ATOM 446 CD ARG A 32 -11.262 -9.385 -9.754 1.00 0.00 C ATOM 447 NE ARG A 32 -12.075 -10.597 -9.800 1.00 0.00 N ATOM 448 CZ ARG A 32 -13.403 -10.604 -9.710 1.00 0.00 C ATOM 449 NH1 ARG A 32 -14.071 -9.466 -9.570 1.00 0.00 N ATOM 450 NH2 ARG A 32 -14.065 -11.752 -9.759 1.00 0.00 N ATOM 0 H ARG A 32 -7.580 -9.887 -8.214 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.390 -9.548 -11.065 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.890 -7.779 -9.114 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.282 -8.125 -10.787 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.511 -10.618 -9.906 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.704 -9.838 -8.349 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.670 -8.703 -9.008 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.316 -8.875 -10.716 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.597 -11.492 -9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.567 -8.580 -9.531 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.089 -9.477 -9.502 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.557 -12.630 -9.866 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.083 -11.757 -9.690 1.00 0.00 H new ATOM 464 N SER A 33 -5.579 -7.696 -9.275 1.00 0.00 N ATOM 465 CA SER A 33 -4.642 -6.577 -9.258 1.00 0.00 C ATOM 466 C SER A 33 -5.381 -5.249 -9.132 1.00 0.00 C ATOM 467 O SER A 33 -6.605 -5.195 -9.248 1.00 0.00 O ATOM 468 CB SER A 33 -3.788 -6.580 -10.527 1.00 0.00 C ATOM 469 OG SER A 33 -2.660 -7.426 -10.381 1.00 0.00 O ATOM 0 H SER A 33 -5.439 -8.375 -8.527 1.00 0.00 H new ATOM 0 HA SER A 33 -3.992 -6.694 -8.391 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.389 -6.913 -11.373 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.459 -5.565 -10.750 1.00 0.00 H new ATOM 0 HG SER A 33 -2.131 -7.412 -11.206 1.00 0.00 H new ATOM 475 N LEU A 34 -4.629 -4.180 -8.894 1.00 0.00 N ATOM 476 CA LEU A 34 -5.211 -2.851 -8.753 1.00 0.00 C ATOM 477 C LEU A 34 -5.293 -2.147 -10.104 1.00 0.00 C ATOM 478 O LEU A 34 -6.380 -1.823 -10.583 1.00 0.00 O ATOM 479 CB LEU A 34 -4.388 -2.010 -7.777 1.00 0.00 C ATOM 480 CG LEU A 34 -4.225 -2.613 -6.380 1.00 0.00 C ATOM 481 CD1 LEU A 34 -2.972 -2.074 -5.704 1.00 0.00 C ATOM 482 CD2 LEU A 34 -5.457 -2.329 -5.533 1.00 0.00 C ATOM 0 H LEU A 34 -3.614 -4.208 -8.795 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.221 -2.965 -8.360 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.398 -1.850 -8.205 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.856 -1.030 -7.681 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.118 -3.693 -6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.875 -2.515 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.097 -2.330 -6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.045 -0.990 -5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.326 -2.764 -4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.595 -1.252 -5.441 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.334 -2.767 -6.009 1.00 0.00 H new ATOM 494 N GLY A 35 -4.135 -1.913 -10.713 1.00 0.00 N ATOM 495 CA GLY A 35 -4.098 -1.248 -12.003 1.00 0.00 C ATOM 496 C GLY A 35 -3.625 0.189 -11.901 1.00 0.00 C ATOM 497 O GLY A 35 -4.163 1.075 -12.565 1.00 0.00 O ATOM 0 H GLY A 35 -3.223 -2.171 -10.337 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.437 -1.798 -12.673 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.093 -1.269 -12.448 1.00 0.00 H new ATOM 501 N LEU A 36 -2.617 0.420 -11.066 1.00 0.00 N ATOM 502 CA LEU A 36 -2.072 1.759 -10.878 1.00 0.00 C ATOM 503 C LEU A 36 -0.570 1.777 -11.144 1.00 0.00 C ATOM 504 O LEU A 36 0.126 0.791 -10.900 1.00 0.00 O ATOM 505 CB LEU A 36 -2.355 2.252 -9.457 1.00 0.00 C ATOM 506 CG LEU A 36 -3.789 2.034 -8.970 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.802 1.630 -7.504 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.621 3.290 -9.185 1.00 0.00 C ATOM 0 H LEU A 36 -2.161 -0.303 -10.509 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.558 2.426 -11.591 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.674 1.748 -8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.128 3.317 -9.406 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.229 1.224 -9.552 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.831 1.480 -7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.242 0.704 -7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.342 2.417 -6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.638 3.117 -8.833 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.180 4.118 -8.629 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.641 3.536 -10.247 1.00 0.00 H new ATOM 520 N THR A 37 -0.077 2.903 -11.648 1.00 0.00 N ATOM 521 CA THR A 37 1.342 3.049 -11.949 1.00 0.00 C ATOM 522 C THR A 37 2.037 3.906 -10.895 1.00 0.00 C ATOM 523 O THR A 37 2.100 5.129 -11.018 1.00 0.00 O ATOM 524 CB THR A 37 1.530 3.672 -13.333 1.00 0.00 C ATOM 525 OG1 THR A 37 0.716 3.020 -14.291 1.00 0.00 O ATOM 526 CG2 THR A 37 2.960 3.610 -13.828 1.00 0.00 C ATOM 0 H THR A 37 -0.639 3.728 -11.857 1.00 0.00 H new ATOM 0 HA THR A 37 1.793 2.057 -11.940 1.00 0.00 H new ATOM 0 HB THR A 37 1.246 4.718 -13.220 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.849 3.434 -15.169 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.024 4.069 -14.815 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.608 4.147 -13.136 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.279 2.569 -13.891 1.00 0.00 H new ATOM 534 N ILE A 38 2.556 3.255 -9.860 1.00 0.00 N ATOM 535 CA ILE A 38 3.246 3.957 -8.784 1.00 0.00 C ATOM 536 C ILE A 38 4.707 4.207 -9.141 1.00 0.00 C ATOM 537 O ILE A 38 5.385 3.330 -9.674 1.00 0.00 O ATOM 538 CB ILE A 38 3.179 3.168 -7.462 1.00 0.00 C ATOM 539 CG1 ILE A 38 3.803 1.782 -7.636 1.00 0.00 C ATOM 540 CG2 ILE A 38 1.738 3.051 -6.988 1.00 0.00 C ATOM 541 CD1 ILE A 38 3.927 1.009 -6.341 1.00 0.00 C ATOM 0 H ILE A 38 2.512 2.243 -9.743 1.00 0.00 H new ATOM 0 HA ILE A 38 2.737 4.912 -8.653 1.00 0.00 H new ATOM 0 HB ILE A 38 3.748 3.708 -6.705 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.199 1.206 -8.337 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.792 1.891 -8.081 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.707 2.491 -6.053 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.325 4.047 -6.828 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.148 2.531 -7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.377 0.036 -6.540 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.555 1.564 -5.645 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.938 0.869 -5.905 1.00 0.00 H new ATOM 553 N ARG A 39 5.186 5.411 -8.842 1.00 0.00 N ATOM 554 CA ARG A 39 6.568 5.777 -9.130 1.00 0.00 C ATOM 555 C ARG A 39 7.301 6.181 -7.855 1.00 0.00 C ATOM 556 O ARG A 39 6.678 6.543 -6.857 1.00 0.00 O ATOM 557 CB ARG A 39 6.613 6.922 -10.144 1.00 0.00 C ATOM 558 CG ARG A 39 5.893 8.177 -9.676 1.00 0.00 C ATOM 559 CD ARG A 39 5.843 9.231 -10.770 1.00 0.00 C ATOM 560 NE ARG A 39 4.703 10.130 -10.613 1.00 0.00 N ATOM 561 CZ ARG A 39 4.671 11.143 -9.750 1.00 0.00 C ATOM 562 NH1 ARG A 39 5.712 11.387 -8.962 1.00 0.00 N ATOM 563 NH2 ARG A 39 3.595 11.913 -9.671 1.00 0.00 N ATOM 0 H ARG A 39 4.637 6.149 -8.401 1.00 0.00 H new ATOM 0 HA ARG A 39 7.068 4.906 -9.554 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.654 7.168 -10.356 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.168 6.585 -11.080 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.879 7.922 -9.368 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.400 8.583 -8.801 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.766 9.811 -10.757 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.787 8.742 -11.742 1.00 0.00 H new ATOM 0 HE ARG A 39 3.883 9.972 -11.199 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.542 10.797 -9.016 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.681 12.165 -8.303 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.791 11.729 -10.272 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.571 12.689 -9.010 1.00 0.00 H new ATOM 577 N GLY A 40 8.628 6.116 -7.896 1.00 0.00 N ATOM 578 CA GLY A 40 9.424 6.478 -6.738 1.00 0.00 C ATOM 579 C GLY A 40 9.561 5.339 -5.749 1.00 0.00 C ATOM 580 O GLY A 40 8.656 4.515 -5.613 1.00 0.00 O ATOM 0 H GLY A 40 9.166 5.819 -8.710 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.415 6.791 -7.066 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.968 7.334 -6.241 1.00 0.00 H new ATOM 584 N GLY A 41 10.694 5.290 -5.058 1.00 0.00 N ATOM 585 CA GLY A 41 10.925 4.239 -4.085 1.00 0.00 C ATOM 586 C GLY A 41 12.080 4.554 -3.155 1.00 0.00 C ATOM 587 O GLY A 41 12.656 5.639 -3.215 1.00 0.00 O ATOM 0 H GLY A 41 11.457 5.960 -5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.020 4.087 -3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.127 3.303 -4.606 1.00 0.00 H new ATOM 591 N ALA A 42 12.418 3.602 -2.291 1.00 0.00 N ATOM 592 CA ALA A 42 13.511 3.782 -1.343 1.00 0.00 C ATOM 593 C ALA A 42 14.852 3.873 -2.063 1.00 0.00 C ATOM 594 O ALA A 42 15.774 4.542 -1.596 1.00 0.00 O ATOM 595 CB ALA A 42 13.527 2.643 -0.335 1.00 0.00 C ATOM 0 H ALA A 42 11.950 2.698 -2.228 1.00 0.00 H new ATOM 0 HA ALA A 42 13.349 4.720 -0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.348 2.790 0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.583 2.626 0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.662 1.696 -0.858 1.00 0.00 H new ATOM 601 N GLU A 43 14.954 3.197 -3.203 1.00 0.00 N ATOM 602 CA GLU A 43 16.184 3.204 -3.987 1.00 0.00 C ATOM 603 C GLU A 43 16.391 4.554 -4.665 1.00 0.00 C ATOM 604 O GLU A 43 17.524 5.001 -4.847 1.00 0.00 O ATOM 605 CB GLU A 43 16.148 2.093 -5.039 1.00 0.00 C ATOM 606 CG GLU A 43 17.526 1.652 -5.505 1.00 0.00 C ATOM 607 CD GLU A 43 17.673 1.688 -7.014 1.00 0.00 C ATOM 608 OE1 GLU A 43 17.452 2.765 -7.606 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.010 0.639 -7.603 1.00 0.00 O ATOM 0 H GLU A 43 14.201 2.638 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 43 17.018 3.027 -3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.620 1.232 -4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.575 2.438 -5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.281 2.297 -5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.719 0.640 -5.149 1.00 0.00 H new ATOM 616 N TYR A 44 15.290 5.201 -5.035 1.00 0.00 N ATOM 617 CA TYR A 44 15.353 6.502 -5.692 1.00 0.00 C ATOM 618 C TYR A 44 15.203 7.640 -4.683 1.00 0.00 C ATOM 619 O TYR A 44 14.930 8.780 -5.058 1.00 0.00 O ATOM 620 CB TYR A 44 14.263 6.608 -6.759 1.00 0.00 C ATOM 621 CG TYR A 44 14.476 5.685 -7.937 1.00 0.00 C ATOM 622 CD1 TYR A 44 15.203 6.100 -9.046 1.00 0.00 C ATOM 623 CD2 TYR A 44 13.952 4.399 -7.942 1.00 0.00 C ATOM 624 CE1 TYR A 44 15.400 5.261 -10.125 1.00 0.00 C ATOM 625 CE2 TYR A 44 14.144 3.553 -9.017 1.00 0.00 C ATOM 626 CZ TYR A 44 14.869 3.989 -10.106 1.00 0.00 C ATOM 627 OH TYR A 44 15.063 3.149 -11.178 1.00 0.00 O ATOM 0 H TYR A 44 14.345 4.846 -4.891 1.00 0.00 H new ATOM 0 HA TYR A 44 16.331 6.591 -6.165 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.298 6.385 -6.304 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.216 7.636 -7.118 1.00 0.00 H new ATOM 0 HD1 TYR A 44 15.621 7.096 -9.064 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.384 4.054 -7.090 1.00 0.00 H new ATOM 0 HE1 TYR A 44 15.967 5.600 -10.979 1.00 0.00 H new ATOM 0 HE2 TYR A 44 13.729 2.556 -9.005 1.00 0.00 H new ATOM 0 HH TYR A 44 14.625 2.290 -11.004 1.00 0.00 H new ATOM 637 N GLY A 45 15.382 7.326 -3.400 1.00 0.00 N ATOM 638 CA GLY A 45 15.263 8.336 -2.364 1.00 0.00 C ATOM 639 C GLY A 45 13.963 9.113 -2.449 1.00 0.00 C ATOM 640 O GLY A 45 13.887 10.260 -2.009 1.00 0.00 O ATOM 0 H GLY A 45 15.607 6.390 -3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.332 7.858 -1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.101 9.029 -2.440 1.00 0.00 H new ATOM 644 N LEU A 46 12.936 8.486 -3.016 1.00 0.00 N ATOM 645 CA LEU A 46 11.634 9.128 -3.157 1.00 0.00 C ATOM 646 C LEU A 46 10.521 8.218 -2.651 1.00 0.00 C ATOM 647 O LEU A 46 10.605 6.994 -2.764 1.00 0.00 O ATOM 648 CB LEU A 46 11.380 9.498 -4.619 1.00 0.00 C ATOM 649 CG LEU A 46 10.079 10.261 -4.878 1.00 0.00 C ATOM 650 CD1 LEU A 46 10.198 11.697 -4.392 1.00 0.00 C ATOM 651 CD2 LEU A 46 9.725 10.223 -6.356 1.00 0.00 C ATOM 0 H LEU A 46 12.981 7.536 -3.384 1.00 0.00 H new ATOM 0 HA LEU A 46 11.638 10.036 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.215 10.102 -4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.372 8.584 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 46 9.277 9.776 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.264 12.225 -4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.405 11.703 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.011 12.194 -4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.797 10.770 -6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.526 10.683 -6.934 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.597 9.188 -6.673 1.00 0.00 H new ATOM 663 N GLY A 47 9.477 8.822 -2.091 1.00 0.00 N ATOM 664 CA GLY A 47 8.361 8.051 -1.575 1.00 0.00 C ATOM 665 C GLY A 47 7.556 7.389 -2.676 1.00 0.00 C ATOM 666 O GLY A 47 7.879 7.522 -3.857 1.00 0.00 O ATOM 0 H GLY A 47 9.384 9.832 -1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.735 7.287 -0.893 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.709 8.704 -0.995 1.00 0.00 H new ATOM 670 N ILE A 48 6.505 6.674 -2.289 1.00 0.00 N ATOM 671 CA ILE A 48 5.651 5.988 -3.251 1.00 0.00 C ATOM 672 C ILE A 48 4.485 6.874 -3.681 1.00 0.00 C ATOM 673 O ILE A 48 3.649 7.256 -2.862 1.00 0.00 O ATOM 674 CB ILE A 48 5.094 4.673 -2.672 1.00 0.00 C ATOM 675 CG1 ILE A 48 6.219 3.851 -2.043 1.00 0.00 C ATOM 676 CG2 ILE A 48 4.389 3.873 -3.757 1.00 0.00 C ATOM 677 CD1 ILE A 48 7.301 3.455 -3.025 1.00 0.00 C ATOM 0 H ILE A 48 6.224 6.555 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 48 6.271 5.761 -4.118 1.00 0.00 H new ATOM 0 HB ILE A 48 4.368 4.914 -1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.668 4.425 -1.232 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.795 2.950 -1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.001 2.947 -3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.565 4.459 -4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.095 3.639 -4.554 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.066 2.874 -2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.866 2.854 -3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.752 4.351 -3.451 1.00 0.00 H new ATOM 689 N TYR A 49 4.436 7.195 -4.969 1.00 0.00 N ATOM 690 CA TYR A 49 3.372 8.035 -5.508 1.00 0.00 C ATOM 691 C TYR A 49 2.510 7.255 -6.495 1.00 0.00 C ATOM 692 O TYR A 49 2.723 6.063 -6.714 1.00 0.00 O ATOM 693 CB TYR A 49 3.964 9.268 -6.193 1.00 0.00 C ATOM 694 CG TYR A 49 4.679 10.204 -5.245 1.00 0.00 C ATOM 695 CD1 TYR A 49 5.942 9.896 -4.757 1.00 0.00 C ATOM 696 CD2 TYR A 49 4.091 11.395 -4.840 1.00 0.00 C ATOM 697 CE1 TYR A 49 6.600 10.748 -3.890 1.00 0.00 C ATOM 698 CE2 TYR A 49 4.742 12.254 -3.974 1.00 0.00 C ATOM 699 CZ TYR A 49 5.995 11.926 -3.502 1.00 0.00 C ATOM 700 OH TYR A 49 6.646 12.778 -2.639 1.00 0.00 O ATOM 0 H TYR A 49 5.120 6.886 -5.660 1.00 0.00 H new ATOM 0 HA TYR A 49 2.742 8.356 -4.679 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.662 8.944 -6.965 1.00 0.00 H new ATOM 0 HB3 TYR A 49 3.164 9.813 -6.694 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.418 8.975 -5.060 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.109 11.655 -5.207 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.582 10.493 -3.519 1.00 0.00 H new ATOM 0 HE2 TYR A 49 4.271 13.177 -3.669 1.00 0.00 H new ATOM 0 HH TYR A 49 6.084 13.562 -2.467 1.00 0.00 H new ATOM 710 N ILE A 50 1.536 7.936 -7.089 1.00 0.00 N ATOM 711 CA ILE A 50 0.642 7.307 -8.054 1.00 0.00 C ATOM 712 C ILE A 50 0.525 8.145 -9.323 1.00 0.00 C ATOM 713 O ILE A 50 0.467 9.374 -9.263 1.00 0.00 O ATOM 714 CB ILE A 50 -0.766 7.095 -7.462 1.00 0.00 C ATOM 715 CG1 ILE A 50 -0.669 6.459 -6.074 1.00 0.00 C ATOM 716 CG2 ILE A 50 -1.607 6.230 -8.389 1.00 0.00 C ATOM 717 CD1 ILE A 50 -1.992 6.405 -5.341 1.00 0.00 C ATOM 0 H ILE A 50 1.346 8.924 -6.919 1.00 0.00 H new ATOM 0 HA ILE A 50 1.075 6.337 -8.300 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.252 8.066 -7.364 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.276 5.447 -6.173 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.047 7.021 -5.475 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.598 6.090 -7.957 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.700 6.719 -9.358 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.127 5.260 -8.517 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.848 5.942 -4.365 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.377 7.416 -5.210 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.705 5.818 -5.920 1.00 0.00 H new ATOM 729 N THR A 51 0.493 7.474 -10.469 1.00 0.00 N ATOM 730 CA THR A 51 0.384 8.160 -11.753 1.00 0.00 C ATOM 731 C THR A 51 -0.046 7.193 -12.852 1.00 0.00 C ATOM 732 O THR A 51 0.489 7.218 -13.960 1.00 0.00 O ATOM 733 CB THR A 51 1.720 8.809 -12.120 1.00 0.00 C ATOM 734 OG1 THR A 51 1.624 9.485 -13.360 1.00 0.00 O ATOM 735 CG2 THR A 51 2.858 7.817 -12.225 1.00 0.00 C ATOM 0 H THR A 51 0.541 6.457 -10.536 1.00 0.00 H new ATOM 0 HA THR A 51 -0.376 8.936 -11.661 1.00 0.00 H new ATOM 0 HB THR A 51 1.938 9.502 -11.308 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.255 8.879 -14.035 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.776 8.343 -12.488 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.990 7.312 -11.268 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.629 7.080 -12.995 1.00 0.00 H new ATOM 743 N GLY A 52 -1.017 6.342 -12.537 1.00 0.00 N ATOM 744 CA GLY A 52 -1.503 5.379 -13.510 1.00 0.00 C ATOM 745 C GLY A 52 -2.843 4.788 -13.121 1.00 0.00 C ATOM 746 O GLY A 52 -3.130 4.607 -11.938 1.00 0.00 O ATOM 0 H GLY A 52 -1.476 6.301 -11.627 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.591 5.863 -14.483 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.773 4.577 -13.618 1.00 0.00 H new ATOM 750 N VAL A 53 -3.665 4.484 -14.121 1.00 0.00 N ATOM 751 CA VAL A 53 -4.983 3.909 -13.879 1.00 0.00 C ATOM 752 C VAL A 53 -5.397 2.987 -15.021 1.00 0.00 C ATOM 753 O VAL A 53 -5.586 3.433 -16.153 1.00 0.00 O ATOM 754 CB VAL A 53 -6.051 5.004 -13.706 1.00 0.00 C ATOM 755 CG1 VAL A 53 -7.373 4.396 -13.260 1.00 0.00 C ATOM 756 CG2 VAL A 53 -5.580 6.059 -12.718 1.00 0.00 C ATOM 0 H VAL A 53 -3.441 4.626 -15.106 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.912 3.333 -12.956 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.208 5.488 -14.670 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.115 5.185 -13.143 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.717 3.683 -14.009 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.235 3.884 -12.308 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.348 6.824 -12.609 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.392 5.593 -11.751 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.661 6.517 -13.085 1.00 0.00 H new ATOM 766 N ASP A 54 -5.536 1.701 -14.717 1.00 0.00 N ATOM 767 CA ASP A 54 -5.927 0.718 -15.719 1.00 0.00 C ATOM 768 C ASP A 54 -7.374 0.938 -16.162 1.00 0.00 C ATOM 769 O ASP A 54 -8.273 1.048 -15.328 1.00 0.00 O ATOM 770 CB ASP A 54 -5.763 -0.698 -15.166 1.00 0.00 C ATOM 771 CG ASP A 54 -5.278 -1.678 -16.216 1.00 0.00 C ATOM 772 OD1 ASP A 54 -6.100 -2.105 -17.054 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.076 -2.018 -16.202 1.00 0.00 O ATOM 0 H ASP A 54 -5.384 1.316 -13.785 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.276 0.841 -16.585 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.057 -0.681 -14.336 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.717 -1.041 -14.766 1.00 0.00 H new ATOM 778 N PRO A 55 -7.622 1.006 -17.484 1.00 0.00 N ATOM 779 CA PRO A 55 -8.970 1.215 -18.021 1.00 0.00 C ATOM 780 C PRO A 55 -9.973 0.201 -17.481 1.00 0.00 C ATOM 781 O PRO A 55 -9.990 -0.955 -17.905 1.00 0.00 O ATOM 782 CB PRO A 55 -8.788 1.035 -19.530 1.00 0.00 C ATOM 783 CG PRO A 55 -7.354 1.344 -19.780 1.00 0.00 C ATOM 784 CD PRO A 55 -6.614 0.886 -18.554 1.00 0.00 C ATOM 0 HA PRO A 55 -9.371 2.189 -17.741 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.033 0.019 -19.840 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.440 1.705 -20.090 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.993 0.828 -20.670 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.208 2.411 -19.949 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.258 -0.139 -18.658 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.741 1.508 -18.356 1.00 0.00 H new ATOM 792 N GLY A 56 -10.806 0.640 -16.544 1.00 0.00 N ATOM 793 CA GLY A 56 -11.800 -0.243 -15.962 1.00 0.00 C ATOM 794 C GLY A 56 -11.189 -1.268 -15.027 1.00 0.00 C ATOM 795 O GLY A 56 -11.145 -2.458 -15.343 1.00 0.00 O ATOM 0 H GLY A 56 -10.811 1.592 -16.177 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.533 0.350 -15.416 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.336 -0.757 -16.760 1.00 0.00 H new ATOM 799 N SER A 57 -10.718 -0.808 -13.873 1.00 0.00 N ATOM 800 CA SER A 57 -10.107 -1.694 -12.888 1.00 0.00 C ATOM 801 C SER A 57 -10.707 -1.464 -11.505 1.00 0.00 C ATOM 802 O SER A 57 -11.582 -0.615 -11.330 1.00 0.00 O ATOM 803 CB SER A 57 -8.593 -1.474 -12.843 1.00 0.00 C ATOM 804 OG SER A 57 -8.272 -0.104 -13.005 1.00 0.00 O ATOM 0 H SER A 57 -10.747 0.173 -13.596 1.00 0.00 H new ATOM 0 HA SER A 57 -10.309 -2.723 -13.186 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.198 -1.833 -11.893 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.114 -2.058 -13.629 1.00 0.00 H new ATOM 0 HG SER A 57 -8.436 0.163 -13.934 1.00 0.00 H new ATOM 810 N GLU A 58 -10.232 -2.226 -10.526 1.00 0.00 N ATOM 811 CA GLU A 58 -10.721 -2.104 -9.157 1.00 0.00 C ATOM 812 C GLU A 58 -10.411 -0.723 -8.588 1.00 0.00 C ATOM 813 O GLU A 58 -11.296 -0.042 -8.071 1.00 0.00 O ATOM 814 CB GLU A 58 -10.098 -3.185 -8.272 1.00 0.00 C ATOM 815 CG GLU A 58 -10.696 -4.566 -8.487 1.00 0.00 C ATOM 816 CD GLU A 58 -12.009 -4.754 -7.751 1.00 0.00 C ATOM 817 OE1 GLU A 58 -12.755 -3.762 -7.605 1.00 0.00 O ATOM 818 OE2 GLU A 58 -12.291 -5.892 -7.321 1.00 0.00 O ATOM 0 H GLU A 58 -9.509 -2.934 -10.654 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.803 -2.236 -9.172 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.026 -3.228 -8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.222 -2.903 -7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.855 -4.727 -9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.985 -5.322 -8.153 1.00 0.00 H new ATOM 825 N ALA A 59 -9.151 -0.318 -8.687 1.00 0.00 N ATOM 826 CA ALA A 59 -8.723 0.982 -8.182 1.00 0.00 C ATOM 827 C ALA A 59 -9.472 2.114 -8.878 1.00 0.00 C ATOM 828 O ALA A 59 -9.715 3.165 -8.286 1.00 0.00 O ATOM 829 CB ALA A 59 -7.222 1.150 -8.363 1.00 0.00 C ATOM 0 H ALA A 59 -8.407 -0.871 -9.112 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.957 1.027 -7.118 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.916 2.124 -7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.699 0.366 -7.815 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.973 1.080 -9.422 1.00 0.00 H new ATOM 835 N GLU A 60 -9.836 1.891 -10.137 1.00 0.00 N ATOM 836 CA GLU A 60 -10.558 2.893 -10.913 1.00 0.00 C ATOM 837 C GLU A 60 -11.983 3.056 -10.396 1.00 0.00 C ATOM 838 O GLU A 60 -12.528 4.161 -10.388 1.00 0.00 O ATOM 839 CB GLU A 60 -10.579 2.505 -12.392 1.00 0.00 C ATOM 840 CG GLU A 60 -10.665 3.696 -13.332 1.00 0.00 C ATOM 841 CD GLU A 60 -12.071 4.254 -13.438 1.00 0.00 C ATOM 842 OE1 GLU A 60 -13.032 3.467 -13.317 1.00 0.00 O ATOM 843 OE2 GLU A 60 -12.210 5.478 -13.644 1.00 0.00 O ATOM 0 H GLU A 60 -9.643 1.026 -10.641 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.040 3.846 -10.803 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.679 1.935 -12.622 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.428 1.847 -12.574 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.992 4.479 -12.983 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.320 3.398 -14.322 1.00 0.00 H new ATOM 850 N GLY A 61 -12.583 1.950 -9.969 1.00 0.00 N ATOM 851 CA GLY A 61 -13.940 1.992 -9.458 1.00 0.00 C ATOM 852 C GLY A 61 -14.009 2.513 -8.036 1.00 0.00 C ATOM 853 O GLY A 61 -14.915 3.272 -7.688 1.00 0.00 O ATOM 0 H GLY A 61 -12.153 1.025 -9.968 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.548 2.625 -10.104 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.370 0.991 -9.496 1.00 0.00 H new ATOM 857 N SER A 62 -13.050 2.106 -7.211 1.00 0.00 N ATOM 858 CA SER A 62 -13.006 2.536 -5.818 1.00 0.00 C ATOM 859 C SER A 62 -12.885 4.054 -5.721 1.00 0.00 C ATOM 860 O SER A 62 -13.824 4.737 -5.313 1.00 0.00 O ATOM 861 CB SER A 62 -11.835 1.870 -5.092 1.00 0.00 C ATOM 862 OG SER A 62 -10.891 1.351 -6.014 1.00 0.00 O ATOM 0 H SER A 62 -12.293 1.479 -7.483 1.00 0.00 H new ATOM 0 HA SER A 62 -13.938 2.233 -5.341 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.349 2.594 -4.438 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.207 1.066 -4.456 1.00 0.00 H new ATOM 0 HG SER A 62 -11.270 0.567 -6.463 1.00 0.00 H new ATOM 868 N GLY A 63 -11.722 4.575 -6.099 1.00 0.00 N ATOM 869 CA GLY A 63 -11.499 6.008 -6.047 1.00 0.00 C ATOM 870 C GLY A 63 -10.029 6.363 -5.942 1.00 0.00 C ATOM 871 O GLY A 63 -9.602 6.981 -4.966 1.00 0.00 O ATOM 0 H GLY A 63 -10.930 4.030 -6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.918 6.470 -6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.032 6.425 -5.192 1.00 0.00 H new ATOM 875 N LEU A 64 -9.255 5.971 -6.949 1.00 0.00 N ATOM 876 CA LEU A 64 -7.823 6.252 -6.966 1.00 0.00 C ATOM 877 C LEU A 64 -7.437 7.025 -8.223 1.00 0.00 C ATOM 878 O LEU A 64 -7.670 6.567 -9.341 1.00 0.00 O ATOM 879 CB LEU A 64 -7.027 4.948 -6.889 1.00 0.00 C ATOM 880 CG LEU A 64 -6.983 4.296 -5.506 1.00 0.00 C ATOM 881 CD1 LEU A 64 -6.225 2.979 -5.562 1.00 0.00 C ATOM 882 CD2 LEU A 64 -6.347 5.237 -4.494 1.00 0.00 C ATOM 0 H LEU A 64 -9.594 5.459 -7.763 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.586 6.866 -6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.455 4.237 -7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.005 5.144 -7.214 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.005 4.090 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.204 2.529 -4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.722 2.302 -6.257 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.205 3.160 -5.900 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.324 4.757 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.330 5.474 -4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.931 6.155 -4.434 1.00 0.00 H new ATOM 894 N LYS A 65 -6.844 8.199 -8.032 1.00 0.00 N ATOM 895 CA LYS A 65 -6.425 9.036 -9.150 1.00 0.00 C ATOM 896 C LYS A 65 -4.903 9.131 -9.219 1.00 0.00 C ATOM 897 O LYS A 65 -4.196 8.473 -8.456 1.00 0.00 O ATOM 898 CB LYS A 65 -7.033 10.435 -9.022 1.00 0.00 C ATOM 899 CG LYS A 65 -7.625 10.961 -10.318 1.00 0.00 C ATOM 900 CD LYS A 65 -9.118 10.684 -10.403 1.00 0.00 C ATOM 901 CE LYS A 65 -9.869 11.856 -11.012 1.00 0.00 C ATOM 902 NZ LYS A 65 -11.307 11.854 -10.628 1.00 0.00 N ATOM 0 H LYS A 65 -6.643 8.592 -7.113 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.783 8.576 -10.071 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.811 10.416 -8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.264 11.126 -8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.449 12.034 -10.390 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.119 10.497 -11.165 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.289 9.790 -11.002 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.508 10.479 -9.406 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.408 12.790 -10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.783 11.817 -12.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.784 12.669 -11.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.753 10.975 -10.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.390 11.917 -9.593 1.00 0.00 H new ATOM 916 N VAL A 66 -4.408 9.954 -10.137 1.00 0.00 N ATOM 917 CA VAL A 66 -2.972 10.136 -10.305 1.00 0.00 C ATOM 918 C VAL A 66 -2.477 11.349 -9.525 1.00 0.00 C ATOM 919 O VAL A 66 -3.110 12.405 -9.531 1.00 0.00 O ATOM 920 CB VAL A 66 -2.595 10.306 -11.789 1.00 0.00 C ATOM 921 CG1 VAL A 66 -2.759 8.992 -12.536 1.00 0.00 C ATOM 922 CG2 VAL A 66 -3.433 11.402 -12.429 1.00 0.00 C ATOM 0 H VAL A 66 -4.981 10.505 -10.776 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.493 9.237 -9.918 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.547 10.601 -11.848 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.488 9.132 -13.582 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.111 8.237 -12.091 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.796 8.663 -12.471 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.153 11.509 -13.477 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.489 11.140 -12.360 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.258 12.344 -11.909 1.00 0.00 H new ATOM 932 N GLY A 67 -1.339 11.192 -8.854 1.00 0.00 N ATOM 933 CA GLY A 67 -0.778 12.282 -8.079 1.00 0.00 C ATOM 934 C GLY A 67 -0.796 12.004 -6.589 1.00 0.00 C ATOM 935 O GLY A 67 0.040 12.516 -5.845 1.00 0.00 O ATOM 0 H GLY A 67 -0.796 10.329 -8.834 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.248 12.461 -8.400 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.339 13.194 -8.282 1.00 0.00 H new ATOM 939 N ASP A 68 -1.753 11.192 -6.151 1.00 0.00 N ATOM 940 CA ASP A 68 -1.876 10.846 -4.741 1.00 0.00 C ATOM 941 C ASP A 68 -0.616 10.148 -4.238 1.00 0.00 C ATOM 942 O ASP A 68 0.132 9.560 -5.019 1.00 0.00 O ATOM 943 CB ASP A 68 -3.094 9.949 -4.517 1.00 0.00 C ATOM 944 CG ASP A 68 -4.387 10.738 -4.450 1.00 0.00 C ATOM 945 OD1 ASP A 68 -4.389 11.822 -3.830 1.00 0.00 O ATOM 946 OD2 ASP A 68 -5.398 10.272 -5.018 1.00 0.00 O ATOM 0 H ASP A 68 -2.455 10.762 -6.753 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.006 11.770 -4.178 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.158 9.219 -5.324 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.964 9.389 -3.591 1.00 0.00 H new ATOM 951 N GLN A 69 -0.388 10.217 -2.930 1.00 0.00 N ATOM 952 CA GLN A 69 0.781 9.591 -2.324 1.00 0.00 C ATOM 953 C GLN A 69 0.367 8.503 -1.339 1.00 0.00 C ATOM 954 O GLN A 69 -0.375 8.759 -0.390 1.00 0.00 O ATOM 955 CB GLN A 69 1.635 10.641 -1.610 1.00 0.00 C ATOM 956 CG GLN A 69 2.948 10.096 -1.073 1.00 0.00 C ATOM 957 CD GLN A 69 3.076 10.250 0.430 1.00 0.00 C ATOM 958 OE1 GLN A 69 2.380 11.059 1.043 1.00 0.00 O ATOM 959 NE2 GLN A 69 3.969 9.473 1.031 1.00 0.00 N ATOM 0 H GLN A 69 -0.997 10.700 -2.270 1.00 0.00 H new ATOM 0 HA GLN A 69 1.369 9.132 -3.119 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.846 11.457 -2.301 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.062 11.063 -0.784 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.032 9.041 -1.334 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.776 10.612 -1.559 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.525 8.816 0.483 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.100 9.533 2.041 1.00 0.00 H new ATOM 968 N ILE A 70 0.850 7.287 -1.569 1.00 0.00 N ATOM 969 CA ILE A 70 0.531 6.160 -0.702 1.00 0.00 C ATOM 970 C ILE A 70 1.353 6.205 0.581 1.00 0.00 C ATOM 971 O ILE A 70 2.565 6.415 0.547 1.00 0.00 O ATOM 972 CB ILE A 70 0.782 4.815 -1.412 1.00 0.00 C ATOM 973 CG1 ILE A 70 0.135 4.816 -2.797 1.00 0.00 C ATOM 974 CG2 ILE A 70 0.247 3.665 -0.571 1.00 0.00 C ATOM 975 CD1 ILE A 70 0.446 3.578 -3.610 1.00 0.00 C ATOM 0 H ILE A 70 1.465 7.057 -2.350 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.528 6.240 -0.456 1.00 0.00 H new ATOM 0 HB ILE A 70 1.857 4.680 -1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.946 4.905 -2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.472 5.695 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.431 2.722 -1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.751 3.656 0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.825 3.792 -0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.045 3.647 -4.580 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.524 3.498 -3.754 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.084 2.696 -3.082 1.00 0.00 H new ATOM 987 N LEU A 71 0.685 6.007 1.713 1.00 0.00 N ATOM 988 CA LEU A 71 1.354 6.025 3.008 1.00 0.00 C ATOM 989 C LEU A 71 1.670 4.608 3.477 1.00 0.00 C ATOM 990 O LEU A 71 2.792 4.318 3.893 1.00 0.00 O ATOM 991 CB LEU A 71 0.482 6.735 4.047 1.00 0.00 C ATOM 992 CG LEU A 71 0.136 8.187 3.716 1.00 0.00 C ATOM 993 CD1 LEU A 71 -1.074 8.643 4.517 1.00 0.00 C ATOM 994 CD2 LEU A 71 1.328 9.093 3.985 1.00 0.00 C ATOM 0 H LEU A 71 -0.319 5.832 1.759 1.00 0.00 H new ATOM 0 HA LEU A 71 2.291 6.570 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.445 6.174 4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.995 6.710 5.008 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.111 8.250 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.306 9.679 4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.929 8.012 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.855 8.566 5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.064 10.123 3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.606 9.026 5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.170 8.780 3.367 1.00 0.00 H new ATOM 1006 N GLU A 72 0.675 3.731 3.407 1.00 0.00 N ATOM 1007 CA GLU A 72 0.849 2.345 3.825 1.00 0.00 C ATOM 1008 C GLU A 72 -0.238 1.456 3.227 1.00 0.00 C ATOM 1009 O GLU A 72 -1.296 1.939 2.822 1.00 0.00 O ATOM 1010 CB GLU A 72 0.824 2.242 5.351 1.00 0.00 C ATOM 1011 CG GLU A 72 -0.382 2.913 5.986 1.00 0.00 C ATOM 1012 CD GLU A 72 -0.122 4.363 6.345 1.00 0.00 C ATOM 1013 OE1 GLU A 72 1.056 4.720 6.555 1.00 0.00 O ATOM 1014 OE2 GLU A 72 -1.096 5.141 6.414 1.00 0.00 O ATOM 0 H GLU A 72 -0.260 3.955 3.065 1.00 0.00 H new ATOM 0 HA GLU A 72 1.817 2.002 3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.836 1.190 5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.732 2.691 5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.227 2.859 5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.666 2.366 6.885 1.00 0.00 H new ATOM 1021 N VAL A 73 0.031 0.156 3.175 1.00 0.00 N ATOM 1022 CA VAL A 73 -0.923 -0.801 2.627 1.00 0.00 C ATOM 1023 C VAL A 73 -0.919 -2.099 3.426 1.00 0.00 C ATOM 1024 O VAL A 73 0.129 -2.713 3.626 1.00 0.00 O ATOM 1025 CB VAL A 73 -0.616 -1.119 1.151 1.00 0.00 C ATOM 1026 CG1 VAL A 73 -1.734 -1.949 0.539 1.00 0.00 C ATOM 1027 CG2 VAL A 73 -0.400 0.163 0.362 1.00 0.00 C ATOM 0 H VAL A 73 0.902 -0.259 3.506 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.908 -0.339 2.694 1.00 0.00 H new ATOM 0 HB VAL A 73 0.303 -1.703 1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.499 -2.163 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.835 -2.885 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.671 -1.394 0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.184 -0.082 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.300 0.777 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.439 0.714 0.786 1.00 0.00 H new ATOM 1037 N ASN A 74 -2.097 -2.511 3.882 1.00 0.00 N ATOM 1038 CA ASN A 74 -2.229 -3.737 4.661 1.00 0.00 C ATOM 1039 C ASN A 74 -1.405 -3.657 5.942 1.00 0.00 C ATOM 1040 O ASN A 74 -0.906 -4.668 6.436 1.00 0.00 O ATOM 1041 CB ASN A 74 -1.786 -4.944 3.832 1.00 0.00 C ATOM 1042 CG ASN A 74 -2.836 -5.371 2.826 1.00 0.00 C ATOM 1043 OD1 ASN A 74 -3.983 -5.639 3.185 1.00 0.00 O ATOM 1044 ND2 ASN A 74 -2.450 -5.436 1.557 1.00 0.00 N ATOM 0 H ASN A 74 -2.974 -2.014 3.726 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.279 -3.856 4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.862 -4.702 3.308 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.565 -5.778 4.498 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.114 -5.717 0.836 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.489 -5.205 1.304 1.00 0.00 H new ATOM 1051 N GLY A 75 -1.266 -2.448 6.476 1.00 0.00 N ATOM 1052 CA GLY A 75 -0.501 -2.258 7.694 1.00 0.00 C ATOM 1053 C GLY A 75 0.993 -2.372 7.464 1.00 0.00 C ATOM 1054 O GLY A 75 1.742 -2.733 8.371 1.00 0.00 O ATOM 0 H GLY A 75 -1.670 -1.596 6.087 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.727 -1.277 8.112 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.809 -2.998 8.432 1.00 0.00 H new ATOM 1058 N ARG A 76 1.427 -2.061 6.247 1.00 0.00 N ATOM 1059 CA ARG A 76 2.842 -2.129 5.899 1.00 0.00 C ATOM 1060 C ARG A 76 3.390 -0.744 5.576 1.00 0.00 C ATOM 1061 O ARG A 76 2.683 0.101 5.027 1.00 0.00 O ATOM 1062 CB ARG A 76 3.051 -3.065 4.706 1.00 0.00 C ATOM 1063 CG ARG A 76 4.448 -3.661 4.638 1.00 0.00 C ATOM 1064 CD ARG A 76 4.415 -5.179 4.726 1.00 0.00 C ATOM 1065 NE ARG A 76 4.676 -5.654 6.083 1.00 0.00 N ATOM 1066 CZ ARG A 76 4.973 -6.916 6.382 1.00 0.00 C ATOM 1067 NH1 ARG A 76 5.047 -7.832 5.425 1.00 0.00 N ATOM 1068 NH2 ARG A 76 5.197 -7.264 7.642 1.00 0.00 N ATOM 0 H ARG A 76 0.819 -1.759 5.485 1.00 0.00 H new ATOM 0 HA ARG A 76 3.384 -2.522 6.759 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.322 -3.874 4.757 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.854 -2.516 3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.927 -3.361 3.706 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.054 -3.262 5.451 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.441 -5.540 4.396 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.157 -5.598 4.046 1.00 0.00 H new ATOM 0 HE ARG A 76 4.628 -4.978 6.846 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.876 -7.570 4.454 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.275 -8.798 5.660 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.142 -6.564 8.382 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.425 -8.232 7.871 1.00 0.00 H new ATOM 1082 N SER A 77 4.654 -0.518 5.917 1.00 0.00 N ATOM 1083 CA SER A 77 5.297 0.765 5.663 1.00 0.00 C ATOM 1084 C SER A 77 5.630 0.922 4.183 1.00 0.00 C ATOM 1085 O SER A 77 6.410 0.151 3.626 1.00 0.00 O ATOM 1086 CB SER A 77 6.571 0.896 6.501 1.00 0.00 C ATOM 1087 OG SER A 77 6.303 1.531 7.739 1.00 0.00 O ATOM 0 H SER A 77 5.254 -1.207 6.370 1.00 0.00 H new ATOM 0 HA SER A 77 4.601 1.555 5.947 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.996 -0.092 6.680 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.316 1.468 5.949 1.00 0.00 H new ATOM 0 HG SER A 77 7.132 1.601 8.257 1.00 0.00 H new ATOM 1093 N PHE A 78 5.033 1.928 3.551 1.00 0.00 N ATOM 1094 CA PHE A 78 5.266 2.187 2.135 1.00 0.00 C ATOM 1095 C PHE A 78 6.089 3.458 1.941 1.00 0.00 C ATOM 1096 O PHE A 78 5.956 4.147 0.930 1.00 0.00 O ATOM 1097 CB PHE A 78 3.934 2.307 1.391 1.00 0.00 C ATOM 1098 CG PHE A 78 3.526 1.046 0.684 1.00 0.00 C ATOM 1099 CD1 PHE A 78 3.280 -0.116 1.398 1.00 0.00 C ATOM 1100 CD2 PHE A 78 3.391 1.023 -0.695 1.00 0.00 C ATOM 1101 CE1 PHE A 78 2.905 -1.278 0.750 1.00 0.00 C ATOM 1102 CE2 PHE A 78 3.017 -0.137 -1.349 1.00 0.00 C ATOM 1103 CZ PHE A 78 2.773 -1.288 -0.625 1.00 0.00 C ATOM 0 H PHE A 78 4.385 2.577 3.997 1.00 0.00 H new ATOM 0 HA PHE A 78 5.828 1.348 1.725 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.155 2.585 2.101 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.005 3.115 0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.382 -0.114 2.473 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.580 1.921 -1.265 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.715 -2.177 1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.916 -0.143 -2.424 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.479 -2.194 -1.133 1.00 0.00 H new ATOM 1113 N LEU A 79 6.940 3.760 2.916 1.00 0.00 N ATOM 1114 CA LEU A 79 7.785 4.948 2.852 1.00 0.00 C ATOM 1115 C LEU A 79 9.153 4.608 2.269 1.00 0.00 C ATOM 1116 O LEU A 79 9.618 5.257 1.332 1.00 0.00 O ATOM 1117 CB LEU A 79 7.949 5.559 4.244 1.00 0.00 C ATOM 1118 CG LEU A 79 6.749 6.368 4.742 1.00 0.00 C ATOM 1119 CD1 LEU A 79 6.842 6.591 6.243 1.00 0.00 C ATOM 1120 CD2 LEU A 79 6.662 7.697 4.007 1.00 0.00 C ATOM 0 H LEU A 79 7.063 3.199 3.759 1.00 0.00 H new ATOM 0 HA LEU A 79 7.300 5.675 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.147 4.757 4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.827 6.205 4.239 1.00 0.00 H new ATOM 0 HG LEU A 79 5.841 5.801 4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.980 7.168 6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.856 5.628 6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.757 7.137 6.474 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.803 8.260 4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.573 8.270 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.548 7.515 2.938 1.00 0.00 H new ATOM 1132 N ASN A 80 9.793 3.588 2.831 1.00 0.00 N ATOM 1133 CA ASN A 80 11.108 3.161 2.368 1.00 0.00 C ATOM 1134 C ASN A 80 11.017 1.835 1.619 1.00 0.00 C ATOM 1135 O ASN A 80 11.949 1.032 1.645 1.00 0.00 O ATOM 1136 CB ASN A 80 12.069 3.026 3.551 1.00 0.00 C ATOM 1137 CG ASN A 80 13.505 2.831 3.110 1.00 0.00 C ATOM 1138 OD1 ASN A 80 13.988 1.703 3.006 1.00 0.00 O ATOM 1139 ND2 ASN A 80 14.199 3.933 2.847 1.00 0.00 N ATOM 0 H ASN A 80 9.422 3.042 3.608 1.00 0.00 H new ATOM 0 HA ASN A 80 11.489 3.919 1.684 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.001 3.918 4.174 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.764 2.181 4.169 1.00 0.00 H new ATOM 0 HD21 ASN A 80 15.171 3.864 2.546 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.760 4.848 2.946 1.00 0.00 H new ATOM 1146 N ILE A 81 9.889 1.615 0.951 1.00 0.00 N ATOM 1147 CA ILE A 81 9.677 0.388 0.195 1.00 0.00 C ATOM 1148 C ILE A 81 10.278 0.495 -1.204 1.00 0.00 C ATOM 1149 O ILE A 81 10.306 1.573 -1.798 1.00 0.00 O ATOM 1150 CB ILE A 81 8.175 0.052 0.079 1.00 0.00 C ATOM 1151 CG1 ILE A 81 7.981 -1.293 -0.626 1.00 0.00 C ATOM 1152 CG2 ILE A 81 7.437 1.157 -0.663 1.00 0.00 C ATOM 1153 CD1 ILE A 81 6.818 -2.096 -0.084 1.00 0.00 C ATOM 0 H ILE A 81 9.109 2.271 0.918 1.00 0.00 H new ATOM 0 HA ILE A 81 10.177 -0.413 0.740 1.00 0.00 H new ATOM 0 HB ILE A 81 7.759 -0.023 1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 81 7.826 -1.117 -1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.894 -1.880 -0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.379 0.903 -0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.548 2.096 -0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.854 1.264 -1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.740 -3.036 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.980 -2.303 0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.896 -1.528 -0.206 1.00 0.00 H new ATOM 1165 N LEU A 82 10.754 -0.630 -1.726 1.00 0.00 N ATOM 1166 CA LEU A 82 11.354 -0.663 -3.055 1.00 0.00 C ATOM 1167 C LEU A 82 10.284 -0.557 -4.136 1.00 0.00 C ATOM 1168 O LEU A 82 9.125 -0.906 -3.913 1.00 0.00 O ATOM 1169 CB LEU A 82 12.159 -1.950 -3.241 1.00 0.00 C ATOM 1170 CG LEU A 82 13.569 -1.925 -2.647 1.00 0.00 C ATOM 1171 CD1 LEU A 82 13.943 -3.292 -2.097 1.00 0.00 C ATOM 1172 CD2 LEU A 82 14.578 -1.474 -3.692 1.00 0.00 C ATOM 0 H LEU A 82 10.736 -1.531 -1.249 1.00 0.00 H new ATOM 0 HA LEU A 82 12.024 0.192 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.606 -2.774 -2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.234 -2.162 -4.307 1.00 0.00 H new ATOM 0 HG LEU A 82 13.583 -1.211 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.949 -3.253 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.237 -3.576 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.912 -4.028 -2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.576 -1.462 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.561 -2.164 -4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.321 -0.473 -4.037 1.00 0.00 H new ATOM 1184 N HIS A 83 10.681 -0.075 -5.310 1.00 0.00 N ATOM 1185 CA HIS A 83 9.757 0.076 -6.426 1.00 0.00 C ATOM 1186 C HIS A 83 9.208 -1.277 -6.865 1.00 0.00 C ATOM 1187 O HIS A 83 8.014 -1.417 -7.132 1.00 0.00 O ATOM 1188 CB HIS A 83 10.453 0.763 -7.603 1.00 0.00 C ATOM 1189 CG HIS A 83 9.549 1.010 -8.770 1.00 0.00 C ATOM 1190 ND1 HIS A 83 8.180 1.126 -8.651 1.00 0.00 N ATOM 1191 CD2 HIS A 83 9.825 1.165 -10.088 1.00 0.00 C ATOM 1192 CE1 HIS A 83 7.653 1.339 -9.844 1.00 0.00 C ATOM 1193 NE2 HIS A 83 8.629 1.368 -10.732 1.00 0.00 N ATOM 0 H HIS A 83 11.637 0.217 -5.512 1.00 0.00 H new ATOM 0 HA HIS A 83 8.924 0.695 -6.094 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.866 1.714 -7.266 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.292 0.148 -7.928 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.803 1.135 -10.546 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.602 1.468 -10.056 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.514 1.517 -11.734 1.00 0.00 H new ATOM 1202 N ASP A 84 10.086 -2.272 -6.936 1.00 0.00 N ATOM 1203 CA ASP A 84 9.690 -3.615 -7.343 1.00 0.00 C ATOM 1204 C ASP A 84 8.835 -4.278 -6.269 1.00 0.00 C ATOM 1205 O ASP A 84 7.857 -4.961 -6.573 1.00 0.00 O ATOM 1206 CB ASP A 84 10.926 -4.470 -7.629 1.00 0.00 C ATOM 1207 CG ASP A 84 10.570 -5.822 -8.215 1.00 0.00 C ATOM 1208 OD1 ASP A 84 10.231 -5.877 -9.416 1.00 0.00 O ATOM 1209 OD2 ASP A 84 10.630 -6.825 -7.474 1.00 0.00 O ATOM 0 H ASP A 84 11.077 -2.173 -6.717 1.00 0.00 H new ATOM 0 HA ASP A 84 9.097 -3.532 -8.254 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.580 -3.938 -8.320 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.487 -4.614 -6.705 1.00 0.00 H new ATOM 1214 N GLU A 85 9.210 -4.072 -5.010 1.00 0.00 N ATOM 1215 CA GLU A 85 8.477 -4.651 -3.890 1.00 0.00 C ATOM 1216 C GLU A 85 7.054 -4.105 -3.831 1.00 0.00 C ATOM 1217 O GLU A 85 6.096 -4.860 -3.659 1.00 0.00 O ATOM 1218 CB GLU A 85 9.202 -4.359 -2.574 1.00 0.00 C ATOM 1219 CG GLU A 85 8.667 -5.156 -1.396 1.00 0.00 C ATOM 1220 CD GLU A 85 9.583 -5.097 -0.189 1.00 0.00 C ATOM 1221 OE1 GLU A 85 10.546 -5.891 -0.134 1.00 0.00 O ATOM 1222 OE2 GLU A 85 9.337 -4.257 0.703 1.00 0.00 O ATOM 0 H GLU A 85 10.017 -3.509 -4.740 1.00 0.00 H new ATOM 0 HA GLU A 85 8.428 -5.730 -4.039 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.263 -4.576 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.118 -3.295 -2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.684 -4.775 -1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.533 -6.195 -1.696 1.00 0.00 H new ATOM 1229 N ALA A 86 6.923 -2.791 -3.974 1.00 0.00 N ATOM 1230 CA ALA A 86 5.616 -2.145 -3.937 1.00 0.00 C ATOM 1231 C ALA A 86 4.709 -2.679 -5.040 1.00 0.00 C ATOM 1232 O ALA A 86 3.496 -2.786 -4.862 1.00 0.00 O ATOM 1233 CB ALA A 86 5.771 -0.636 -4.063 1.00 0.00 C ATOM 0 H ALA A 86 7.705 -2.152 -4.117 1.00 0.00 H new ATOM 0 HA ALA A 86 5.151 -2.374 -2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.788 -0.166 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.377 -0.262 -3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.259 -0.398 -5.008 1.00 0.00 H new ATOM 1239 N VAL A 87 5.305 -3.013 -6.179 1.00 0.00 N ATOM 1240 CA VAL A 87 4.551 -3.537 -7.312 1.00 0.00 C ATOM 1241 C VAL A 87 4.182 -5.001 -7.096 1.00 0.00 C ATOM 1242 O VAL A 87 3.039 -5.402 -7.310 1.00 0.00 O ATOM 1243 CB VAL A 87 5.345 -3.407 -8.626 1.00 0.00 C ATOM 1244 CG1 VAL A 87 4.486 -3.811 -9.814 1.00 0.00 C ATOM 1245 CG2 VAL A 87 5.870 -1.989 -8.797 1.00 0.00 C ATOM 0 H VAL A 87 6.308 -2.930 -6.342 1.00 0.00 H new ATOM 0 HA VAL A 87 3.641 -2.942 -7.388 1.00 0.00 H new ATOM 0 HB VAL A 87 6.199 -4.083 -8.579 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.065 -3.712 -10.732 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.166 -4.846 -9.696 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.610 -3.164 -9.866 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.428 -1.918 -9.731 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.033 -1.291 -8.820 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.526 -1.741 -7.963 1.00 0.00 H new ATOM 1255 N ARG A 88 5.160 -5.794 -6.673 1.00 0.00 N ATOM 1256 CA ARG A 88 4.940 -7.215 -6.429 1.00 0.00 C ATOM 1257 C ARG A 88 3.990 -7.424 -5.254 1.00 0.00 C ATOM 1258 O ARG A 88 3.077 -8.247 -5.320 1.00 0.00 O ATOM 1259 CB ARG A 88 6.270 -7.919 -6.156 1.00 0.00 C ATOM 1260 CG ARG A 88 6.984 -8.378 -7.416 1.00 0.00 C ATOM 1261 CD ARG A 88 8.451 -8.675 -7.149 1.00 0.00 C ATOM 1262 NE ARG A 88 8.696 -10.104 -6.968 1.00 0.00 N ATOM 1263 CZ ARG A 88 9.896 -10.670 -7.072 1.00 0.00 C ATOM 1264 NH1 ARG A 88 10.963 -9.931 -7.355 1.00 0.00 N ATOM 1265 NH2 ARG A 88 10.031 -11.976 -6.895 1.00 0.00 N ATOM 0 H ARG A 88 6.113 -5.477 -6.492 1.00 0.00 H new ATOM 0 HA ARG A 88 4.486 -7.646 -7.321 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.923 -7.243 -5.604 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.090 -8.782 -5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.496 -9.271 -7.807 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.901 -7.608 -8.183 1.00 0.00 H new ATOM 0 HD2 ARG A 88 9.053 -8.306 -7.980 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.774 -8.136 -6.258 1.00 0.00 H new ATOM 0 HE ARG A 88 7.900 -10.703 -6.749 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.865 -8.925 -7.494 1.00 0.00 H new ATOM 0 HH12 ARG A 88 11.881 -10.369 -7.434 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.215 -12.548 -6.679 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.951 -12.409 -6.975 1.00 0.00 H new ATOM 1279 N LEU A 89 4.211 -6.674 -4.179 1.00 0.00 N ATOM 1280 CA LEU A 89 3.374 -6.777 -2.991 1.00 0.00 C ATOM 1281 C LEU A 89 1.951 -6.316 -3.286 1.00 0.00 C ATOM 1282 O LEU A 89 0.989 -6.831 -2.716 1.00 0.00 O ATOM 1283 CB LEU A 89 3.964 -5.944 -1.851 1.00 0.00 C ATOM 1284 CG LEU A 89 3.213 -6.039 -0.523 1.00 0.00 C ATOM 1285 CD1 LEU A 89 3.689 -7.243 0.274 1.00 0.00 C ATOM 1286 CD2 LEU A 89 3.391 -4.760 0.282 1.00 0.00 C ATOM 0 H LEU A 89 4.963 -5.989 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 89 3.343 -7.824 -2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.996 -6.256 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.991 -4.899 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 89 2.152 -6.167 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.143 -7.294 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.510 -8.153 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.756 -7.146 0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.850 -4.845 1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.450 -4.602 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.001 -3.915 -0.286 1.00 0.00 H new ATOM 1298 N LEU A 90 1.825 -5.344 -4.183 1.00 0.00 N ATOM 1299 CA LEU A 90 0.520 -4.812 -4.558 1.00 0.00 C ATOM 1300 C LEU A 90 -0.164 -5.707 -5.589 1.00 0.00 C ATOM 1301 O LEU A 90 -1.384 -5.666 -5.747 1.00 0.00 O ATOM 1302 CB LEU A 90 0.665 -3.395 -5.114 1.00 0.00 C ATOM 1303 CG LEU A 90 0.846 -2.301 -4.060 1.00 0.00 C ATOM 1304 CD1 LEU A 90 1.045 -0.948 -4.723 1.00 0.00 C ATOM 1305 CD2 LEU A 90 -0.351 -2.265 -3.120 1.00 0.00 C ATOM 0 H LEU A 90 2.612 -4.908 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.101 -4.784 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.520 -3.372 -5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.218 -3.162 -5.709 1.00 0.00 H new ATOM 0 HG LEU A 90 1.737 -2.530 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.172 -0.183 -3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.932 -0.980 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.173 -0.710 -5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.206 -1.481 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.256 -2.060 -3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.449 -3.228 -2.618 1.00 0.00 H new ATOM 1317 N LYS A 91 0.627 -6.515 -6.290 1.00 0.00 N ATOM 1318 CA LYS A 91 0.091 -7.416 -7.304 1.00 0.00 C ATOM 1319 C LYS A 91 0.299 -8.873 -6.902 1.00 0.00 C ATOM 1320 O LYS A 91 0.918 -9.649 -7.632 1.00 0.00 O ATOM 1321 CB LYS A 91 0.755 -7.145 -8.656 1.00 0.00 C ATOM 1322 CG LYS A 91 0.134 -5.985 -9.417 1.00 0.00 C ATOM 1323 CD LYS A 91 0.185 -4.697 -8.609 1.00 0.00 C ATOM 1324 CE LYS A 91 0.510 -3.500 -9.488 1.00 0.00 C ATOM 1325 NZ LYS A 91 -0.645 -3.107 -10.342 1.00 0.00 N ATOM 0 H LYS A 91 1.639 -6.564 -6.174 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.980 -7.233 -7.390 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.813 -6.939 -8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.694 -8.045 -9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.660 -5.845 -10.361 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.902 -6.222 -9.661 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.774 -4.538 -8.116 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.936 -4.788 -7.824 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.801 -2.657 -8.861 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.365 -3.736 -10.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.382 -2.287 -10.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.907 -3.902 -10.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.454 -2.857 -9.738 1.00 0.00 H new ATOM 1339 N SER A 92 -0.223 -9.241 -5.736 1.00 0.00 N ATOM 1340 CA SER A 92 -0.093 -10.606 -5.238 1.00 0.00 C ATOM 1341 C SER A 92 -1.169 -10.914 -4.201 1.00 0.00 C ATOM 1342 O SER A 92 -1.950 -11.851 -4.362 1.00 0.00 O ATOM 1343 CB SER A 92 1.294 -10.820 -4.630 1.00 0.00 C ATOM 1344 OG SER A 92 2.197 -11.342 -5.589 1.00 0.00 O ATOM 0 H SER A 92 -0.739 -8.614 -5.119 1.00 0.00 H new ATOM 0 HA SER A 92 -0.222 -11.286 -6.080 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.675 -9.874 -4.244 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.222 -11.504 -3.784 1.00 0.00 H new ATOM 0 HG SER A 92 2.014 -10.939 -6.464 1.00 0.00 H new ATOM 1350 N SER A 93 -1.202 -10.119 -3.135 1.00 0.00 N ATOM 1351 CA SER A 93 -2.181 -10.307 -2.071 1.00 0.00 C ATOM 1352 C SER A 93 -3.604 -10.204 -2.612 1.00 0.00 C ATOM 1353 O SER A 93 -3.812 -9.871 -3.778 1.00 0.00 O ATOM 1354 CB SER A 93 -1.969 -9.271 -0.965 1.00 0.00 C ATOM 1355 OG SER A 93 -1.014 -9.723 -0.020 1.00 0.00 O ATOM 0 H SER A 93 -0.562 -9.339 -2.986 1.00 0.00 H new ATOM 0 HA SER A 93 -2.041 -11.306 -1.658 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.635 -8.330 -1.403 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.916 -9.071 -0.463 1.00 0.00 H new ATOM 0 HG SER A 93 -0.895 -9.043 0.676 1.00 0.00 H new ATOM 1361 N ARG A 94 -4.579 -10.493 -1.757 1.00 0.00 N ATOM 1362 CA ARG A 94 -5.983 -10.431 -2.148 1.00 0.00 C ATOM 1363 C ARG A 94 -6.637 -9.158 -1.624 1.00 0.00 C ATOM 1364 O ARG A 94 -7.497 -8.574 -2.284 1.00 0.00 O ATOM 1365 CB ARG A 94 -6.735 -11.658 -1.629 1.00 0.00 C ATOM 1366 CG ARG A 94 -6.395 -12.020 -0.192 1.00 0.00 C ATOM 1367 CD ARG A 94 -5.304 -13.076 -0.126 1.00 0.00 C ATOM 1368 NE ARG A 94 -5.796 -14.396 -0.513 1.00 0.00 N ATOM 1369 CZ ARG A 94 -5.159 -15.533 -0.243 1.00 0.00 C ATOM 1370 NH1 ARG A 94 -4.005 -15.515 0.412 1.00 0.00 N ATOM 1371 NH2 ARG A 94 -5.677 -16.691 -0.630 1.00 0.00 N ATOM 0 H ARG A 94 -4.423 -10.773 -0.789 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.031 -10.420 -3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.807 -11.475 -1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.511 -12.509 -2.272 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.071 -11.127 0.342 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.289 -12.387 0.313 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -4.482 -12.789 -0.781 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.904 -13.121 0.887 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.680 -14.449 -1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.602 -14.627 0.711 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.521 -16.389 0.616 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.563 -16.710 -1.134 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.189 -17.563 -0.423 1.00 0.00 H new ATOM 1385 N HIS A 95 -6.226 -8.732 -0.435 1.00 0.00 N ATOM 1386 CA HIS A 95 -6.771 -7.525 0.176 1.00 0.00 C ATOM 1387 C HIS A 95 -5.741 -6.402 0.171 1.00 0.00 C ATOM 1388 O HIS A 95 -4.685 -6.512 0.794 1.00 0.00 O ATOM 1389 CB HIS A 95 -7.225 -7.812 1.609 1.00 0.00 C ATOM 1390 CG HIS A 95 -8.467 -7.077 2.001 1.00 0.00 C ATOM 1391 ND1 HIS A 95 -9.430 -7.613 2.830 1.00 0.00 N ATOM 1392 CD2 HIS A 95 -8.906 -5.839 1.671 1.00 0.00 C ATOM 1393 CE1 HIS A 95 -10.407 -6.738 2.992 1.00 0.00 C ATOM 1394 NE2 HIS A 95 -10.112 -5.653 2.301 1.00 0.00 N ATOM 0 H HIS A 95 -5.517 -9.205 0.125 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.632 -7.207 -0.412 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.396 -8.883 1.720 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.422 -7.545 2.296 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -9.394 -8.541 3.252 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.401 -5.130 1.031 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -11.295 -6.886 3.588 1.00 0.00 H new ATOM 1403 N LEU A 96 -6.052 -5.323 -0.540 1.00 0.00 N ATOM 1404 CA LEU A 96 -5.150 -4.180 -0.630 1.00 0.00 C ATOM 1405 C LEU A 96 -5.839 -2.903 -0.158 1.00 0.00 C ATOM 1406 O LEU A 96 -6.651 -2.322 -0.879 1.00 0.00 O ATOM 1407 CB LEU A 96 -4.656 -4.008 -2.068 1.00 0.00 C ATOM 1408 CG LEU A 96 -4.360 -5.313 -2.809 1.00 0.00 C ATOM 1409 CD1 LEU A 96 -3.878 -5.028 -4.223 1.00 0.00 C ATOM 1410 CD2 LEU A 96 -3.330 -6.139 -2.046 1.00 0.00 C ATOM 0 H LEU A 96 -6.922 -5.216 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.296 -4.370 0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.406 -3.450 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.751 -3.401 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.283 -5.889 -2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.673 -5.969 -4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.648 -4.480 -4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.967 -4.430 -4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.132 -7.064 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.406 -5.569 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.715 -6.375 -1.054 1.00 0.00 H new ATOM 1422 N ILE A 97 -5.509 -2.473 1.055 1.00 0.00 N ATOM 1423 CA ILE A 97 -6.094 -1.265 1.624 1.00 0.00 C ATOM 1424 C ILE A 97 -5.074 -0.130 1.664 1.00 0.00 C ATOM 1425 O ILE A 97 -4.516 0.179 2.717 1.00 0.00 O ATOM 1426 CB ILE A 97 -6.627 -1.516 3.049 1.00 0.00 C ATOM 1427 CG1 ILE A 97 -7.546 -2.739 3.067 1.00 0.00 C ATOM 1428 CG2 ILE A 97 -7.363 -0.288 3.565 1.00 0.00 C ATOM 1429 CD1 ILE A 97 -7.470 -3.533 4.353 1.00 0.00 C ATOM 0 H ILE A 97 -4.839 -2.944 1.663 1.00 0.00 H new ATOM 0 HA ILE A 97 -6.926 -0.980 0.980 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.780 -1.711 3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.574 -2.413 2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.288 -3.390 2.232 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.733 -0.482 4.572 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.682 0.562 3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -8.203 -0.064 2.907 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.147 -4.385 4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.451 -3.889 4.501 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.757 -2.897 5.191 1.00 0.00 H new ATOM 1441 N LEU A 98 -4.836 0.484 0.511 1.00 0.00 N ATOM 1442 CA LEU A 98 -3.883 1.585 0.414 1.00 0.00 C ATOM 1443 C LEU A 98 -4.382 2.806 1.180 1.00 0.00 C ATOM 1444 O LEU A 98 -5.580 3.084 1.212 1.00 0.00 O ATOM 1445 CB LEU A 98 -3.642 1.951 -1.052 1.00 0.00 C ATOM 1446 CG LEU A 98 -3.064 0.826 -1.914 1.00 0.00 C ATOM 1447 CD1 LEU A 98 -4.164 0.150 -2.720 1.00 0.00 C ATOM 1448 CD2 LEU A 98 -1.980 1.363 -2.838 1.00 0.00 C ATOM 0 H LEU A 98 -5.289 0.239 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.943 1.259 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.586 2.275 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.964 2.803 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.616 0.084 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.733 -0.647 -3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.906 -0.271 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.641 0.883 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.581 0.549 -3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.404 2.126 -3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.178 1.799 -2.243 1.00 0.00 H new ATOM 1460 N THR A 99 -3.453 3.533 1.794 1.00 0.00 N ATOM 1461 CA THR A 99 -3.797 4.725 2.560 1.00 0.00 C ATOM 1462 C THR A 99 -3.105 5.958 1.987 1.00 0.00 C ATOM 1463 O THR A 99 -1.978 6.280 2.365 1.00 0.00 O ATOM 1464 CB THR A 99 -3.409 4.543 4.028 1.00 0.00 C ATOM 1465 OG1 THR A 99 -3.746 3.244 4.479 1.00 0.00 O ATOM 1466 CG2 THR A 99 -4.078 5.537 4.952 1.00 0.00 C ATOM 0 H THR A 99 -2.456 3.317 1.776 1.00 0.00 H new ATOM 0 HA THR A 99 -4.875 4.872 2.493 1.00 0.00 H new ATOM 0 HB THR A 99 -2.332 4.706 4.063 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.091 2.599 4.139 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.759 5.352 5.978 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.797 6.549 4.662 1.00 0.00 H new ATOM 0 HG23 THR A 99 -5.160 5.427 4.883 1.00 0.00 H new ATOM 1474 N VAL A 100 -3.786 6.642 1.076 1.00 0.00 N ATOM 1475 CA VAL A 100 -3.236 7.840 0.451 1.00 0.00 C ATOM 1476 C VAL A 100 -3.878 9.101 1.018 1.00 0.00 C ATOM 1477 O VAL A 100 -4.966 9.052 1.591 1.00 0.00 O ATOM 1478 CB VAL A 100 -3.435 7.820 -1.076 1.00 0.00 C ATOM 1479 CG1 VAL A 100 -2.631 6.692 -1.706 1.00 0.00 C ATOM 1480 CG2 VAL A 100 -4.911 7.689 -1.420 1.00 0.00 C ATOM 0 H VAL A 100 -4.720 6.388 0.753 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.168 7.848 0.671 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.073 8.764 -1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.785 6.694 -2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.572 6.835 -1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.959 5.737 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.032 7.677 -2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.301 6.762 -1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.458 8.535 -1.003 1.00 0.00 H new ATOM 1490 N LYS A 101 -3.197 10.230 0.854 1.00 0.00 N ATOM 1491 CA LYS A 101 -3.701 11.505 1.350 1.00 0.00 C ATOM 1492 C LYS A 101 -4.176 12.386 0.199 1.00 0.00 C ATOM 1493 O LYS A 101 -3.564 12.415 -0.869 1.00 0.00 O ATOM 1494 CB LYS A 101 -2.615 12.230 2.148 1.00 0.00 C ATOM 1495 CG LYS A 101 -1.307 12.388 1.392 1.00 0.00 C ATOM 1496 CD LYS A 101 -0.430 13.463 2.013 1.00 0.00 C ATOM 1497 CE LYS A 101 0.218 14.338 0.952 1.00 0.00 C ATOM 1498 NZ LYS A 101 -0.746 15.315 0.374 1.00 0.00 N ATOM 0 H LYS A 101 -2.295 10.288 0.382 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.549 11.303 2.004 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.982 13.216 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.427 11.682 3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.772 11.439 1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.515 12.642 0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.030 14.082 2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.344 12.995 2.622 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.061 14.874 1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.618 13.709 0.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.307 15.798 -0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.600 14.814 0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.005 16.016 1.097 1.00 0.00 H new ATOM 1512 N ASP A 102 -5.271 13.105 0.424 1.00 0.00 N ATOM 1513 CA ASP A 102 -5.829 13.988 -0.593 1.00 0.00 C ATOM 1514 C ASP A 102 -4.826 15.068 -0.985 1.00 0.00 C ATOM 1515 O ASP A 102 -4.701 16.089 -0.309 1.00 0.00 O ATOM 1516 CB ASP A 102 -7.119 14.635 -0.085 1.00 0.00 C ATOM 1517 CG ASP A 102 -8.334 13.756 -0.311 1.00 0.00 C ATOM 1518 OD1 ASP A 102 -8.192 12.517 -0.236 1.00 0.00 O ATOM 1519 OD2 ASP A 102 -9.426 14.307 -0.564 1.00 0.00 O ATOM 0 H ASP A 102 -5.790 13.093 1.302 1.00 0.00 H new ATOM 0 HA ASP A 102 -6.054 13.388 -1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -7.021 14.848 0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.266 15.590 -0.589 1.00 0.00 H new ATOM 1524 N VAL A 103 -4.113 14.836 -2.082 1.00 0.00 N ATOM 1525 CA VAL A 103 -3.121 15.788 -2.565 1.00 0.00 C ATOM 1526 C VAL A 103 -3.784 16.945 -3.305 1.00 0.00 C ATOM 1527 O VAL A 103 -4.370 16.758 -4.372 1.00 0.00 O ATOM 1528 CB VAL A 103 -2.101 15.112 -3.499 1.00 0.00 C ATOM 1529 CG1 VAL A 103 -0.967 16.068 -3.835 1.00 0.00 C ATOM 1530 CG2 VAL A 103 -1.564 13.836 -2.867 1.00 0.00 C ATOM 0 H VAL A 103 -4.204 13.996 -2.653 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.599 16.173 -1.689 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.606 14.846 -4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.257 15.572 -4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.370 16.950 -4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.460 16.368 -2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.844 13.371 -3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.075 14.076 -1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.388 13.146 -2.684 1.00 0.00 H new ATOM 1540 N GLY A 104 -3.686 18.140 -2.732 1.00 0.00 N ATOM 1541 CA GLY A 104 -4.280 19.310 -3.349 1.00 0.00 C ATOM 1542 C GLY A 104 -5.763 19.443 -3.053 1.00 0.00 C ATOM 1543 O GLY A 104 -6.466 20.209 -3.712 1.00 0.00 O ATOM 0 H GLY A 104 -3.205 18.318 -1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.763 20.203 -2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.133 19.260 -4.428 1.00 0.00 H new ATOM 1547 N ARG A 105 -6.240 18.699 -2.059 1.00 0.00 N ATOM 1548 CA ARG A 105 -7.649 18.741 -1.679 1.00 0.00 C ATOM 1549 C ARG A 105 -8.545 18.406 -2.868 1.00 0.00 C ATOM 1550 O ARG A 105 -8.752 19.232 -3.756 1.00 0.00 O ATOM 1551 CB ARG A 105 -8.008 20.123 -1.130 1.00 0.00 C ATOM 1552 CG ARG A 105 -7.613 20.318 0.326 1.00 0.00 C ATOM 1553 CD ARG A 105 -8.794 20.102 1.260 1.00 0.00 C ATOM 1554 NE ARG A 105 -8.956 21.207 2.202 1.00 0.00 N ATOM 1555 CZ ARG A 105 -8.203 21.372 3.287 1.00 0.00 C ATOM 1556 NH1 ARG A 105 -7.235 20.508 3.570 1.00 0.00 N ATOM 1557 NH2 ARG A 105 -8.417 22.404 4.091 1.00 0.00 N ATOM 0 H ARG A 105 -5.672 18.060 -1.502 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.812 17.994 -0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.518 20.885 -1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -9.082 20.278 -1.231 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.813 19.623 0.583 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -7.218 21.324 0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -9.705 19.990 0.672 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -8.654 19.173 1.812 1.00 0.00 H new ATOM 0 HE ARG A 105 -9.689 21.892 2.017 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -7.065 19.713 2.954 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -6.661 20.640 4.403 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.159 23.071 3.878 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -7.840 22.531 4.923 1.00 0.00 H new ATOM 1571 N LEU A 106 -9.077 17.187 -2.877 1.00 0.00 N ATOM 1572 CA LEU A 106 -9.950 16.743 -3.957 1.00 0.00 C ATOM 1573 C LEU A 106 -11.384 17.217 -3.727 1.00 0.00 C ATOM 1574 O LEU A 106 -11.844 17.304 -2.588 1.00 0.00 O ATOM 1575 CB LEU A 106 -9.915 15.217 -4.074 1.00 0.00 C ATOM 1576 CG LEU A 106 -8.953 14.673 -5.130 1.00 0.00 C ATOM 1577 CD1 LEU A 106 -8.382 13.334 -4.693 1.00 0.00 C ATOM 1578 CD2 LEU A 106 -9.657 14.541 -6.473 1.00 0.00 C ATOM 0 H LEU A 106 -8.919 16.490 -2.149 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.588 17.179 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.641 14.799 -3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -10.920 14.862 -4.302 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.129 15.377 -5.241 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.700 12.963 -5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.843 13.458 -3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.194 12.620 -4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -8.958 14.152 -7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.500 13.857 -6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -10.018 15.519 -6.792 1.00 0.00 H new ATOM 1590 N PRO A 107 -12.114 17.531 -4.813 1.00 0.00 N ATOM 1591 CA PRO A 107 -13.501 17.997 -4.723 1.00 0.00 C ATOM 1592 C PRO A 107 -14.463 16.884 -4.321 1.00 0.00 C ATOM 1593 O PRO A 107 -14.664 15.925 -5.067 1.00 0.00 O ATOM 1594 CB PRO A 107 -13.805 18.478 -6.143 1.00 0.00 C ATOM 1595 CG PRO A 107 -12.897 17.680 -7.012 1.00 0.00 C ATOM 1596 CD PRO A 107 -11.645 17.456 -6.210 1.00 0.00 C ATOM 0 HA PRO A 107 -13.623 18.767 -3.961 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -14.850 18.311 -6.403 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -13.617 19.546 -6.248 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -13.357 16.732 -7.290 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -12.677 18.211 -7.938 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -11.194 16.488 -6.431 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -10.891 18.214 -6.422 1.00 0.00 H new ATOM 1604 N HIS A 108 -15.054 17.017 -3.139 1.00 0.00 N ATOM 1605 CA HIS A 108 -15.995 16.022 -2.638 1.00 0.00 C ATOM 1606 C HIS A 108 -17.351 16.165 -3.321 1.00 0.00 C ATOM 1607 O HIS A 108 -17.794 17.274 -3.618 1.00 0.00 O ATOM 1608 CB HIS A 108 -16.156 16.160 -1.123 1.00 0.00 C ATOM 1609 CG HIS A 108 -16.576 14.890 -0.450 1.00 0.00 C ATOM 1610 ND1 HIS A 108 -15.858 14.309 0.575 1.00 0.00 N ATOM 1611 CD2 HIS A 108 -17.648 14.088 -0.658 1.00 0.00 C ATOM 1612 CE1 HIS A 108 -16.470 13.205 0.966 1.00 0.00 C ATOM 1613 NE2 HIS A 108 -17.557 13.049 0.235 1.00 0.00 N ATOM 0 H HIS A 108 -14.898 17.804 -2.510 1.00 0.00 H new ATOM 0 HA HIS A 108 -15.597 15.033 -2.865 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -15.211 16.494 -0.694 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -16.893 16.935 -0.913 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -18.428 14.238 -1.390 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -16.137 12.543 1.751 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -18.222 12.281 0.320 1.00 0.00 H new ATOM 1622 N ALA A 109 -18.005 15.035 -3.570 1.00 0.00 N ATOM 1623 CA ALA A 109 -19.310 15.035 -4.219 1.00 0.00 C ATOM 1624 C ALA A 109 -20.359 15.713 -3.343 1.00 0.00 C ATOM 1625 O ALA A 109 -20.156 15.897 -2.143 1.00 0.00 O ATOM 1626 CB ALA A 109 -19.735 13.611 -4.547 1.00 0.00 C ATOM 0 H ALA A 109 -17.652 14.108 -3.332 1.00 0.00 H new ATOM 0 HA ALA A 109 -19.228 15.602 -5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -20.711 13.625 -5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -19.004 13.158 -5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -19.794 13.028 -3.628 1.00 0.00 H new ATOM 1632 N ARG A 110 -21.481 16.082 -3.953 1.00 0.00 N ATOM 1633 CA ARG A 110 -22.563 16.740 -3.230 1.00 0.00 C ATOM 1634 C ARG A 110 -22.091 18.058 -2.625 1.00 0.00 C ATOM 1635 O ARG A 110 -21.674 18.107 -1.468 1.00 0.00 O ATOM 1636 CB ARG A 110 -23.100 15.824 -2.129 1.00 0.00 C ATOM 1637 CG ARG A 110 -24.533 16.133 -1.726 1.00 0.00 C ATOM 1638 CD ARG A 110 -24.900 15.460 -0.414 1.00 0.00 C ATOM 1639 NE ARG A 110 -26.331 15.547 -0.134 1.00 0.00 N ATOM 1640 CZ ARG A 110 -27.249 14.780 -0.720 1.00 0.00 C ATOM 1641 NH1 ARG A 110 -26.889 13.870 -1.616 1.00 0.00 N ATOM 1642 NH2 ARG A 110 -28.530 14.924 -0.408 1.00 0.00 N ATOM 0 H ARG A 110 -21.664 15.936 -4.946 1.00 0.00 H new ATOM 0 HA ARG A 110 -23.363 16.952 -3.939 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -23.042 14.790 -2.468 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -22.458 15.909 -1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -24.661 17.211 -1.631 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -25.213 15.799 -2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -24.601 14.412 -0.448 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -24.343 15.924 0.400 1.00 0.00 H new ATOM 0 HE ARG A 110 -26.646 16.235 0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -25.905 13.755 -1.859 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -27.596 13.285 -2.062 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -28.812 15.622 0.280 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -29.233 14.337 -0.857 1.00 0.00 H new ATOM 1656 N THR A 111 -22.160 19.124 -3.416 1.00 0.00 N ATOM 1657 CA THR A 111 -21.740 20.443 -2.957 1.00 0.00 C ATOM 1658 C THR A 111 -22.572 21.538 -3.617 1.00 0.00 C ATOM 1659 O THR A 111 -23.076 22.437 -2.945 1.00 0.00 O ATOM 1660 CB THR A 111 -20.255 20.662 -3.259 1.00 0.00 C ATOM 1661 OG1 THR A 111 -19.547 19.437 -3.206 1.00 0.00 O ATOM 1662 CG2 THR A 111 -19.586 21.621 -2.298 1.00 0.00 C ATOM 0 H THR A 111 -22.502 19.100 -4.377 1.00 0.00 H new ATOM 0 HA THR A 111 -21.896 20.493 -1.879 1.00 0.00 H new ATOM 0 HB THR A 111 -20.223 21.093 -4.260 1.00 0.00 H new ATOM 0 HG1 THR A 111 -18.601 19.597 -3.403 1.00 0.00 H new ATOM 0 HG21 THR A 111 -18.536 21.732 -2.567 1.00 0.00 H new ATOM 0 HG22 THR A 111 -20.079 22.592 -2.351 1.00 0.00 H new ATOM 0 HG23 THR A 111 -19.661 21.231 -1.283 1.00 0.00 H new ATOM 1670 N THR A 112 -22.710 21.456 -4.936 1.00 0.00 N ATOM 1671 CA THR A 112 -23.482 22.440 -5.686 1.00 0.00 C ATOM 1672 C THR A 112 -24.934 21.994 -5.835 1.00 0.00 C ATOM 1673 O THR A 112 -25.407 21.737 -6.943 1.00 0.00 O ATOM 1674 CB THR A 112 -22.859 22.665 -7.065 1.00 0.00 C ATOM 1675 OG1 THR A 112 -23.686 23.497 -7.860 1.00 0.00 O ATOM 1676 CG2 THR A 112 -22.627 21.381 -7.833 1.00 0.00 C ATOM 0 H THR A 112 -22.298 20.719 -5.508 1.00 0.00 H new ATOM 0 HA THR A 112 -23.465 23.378 -5.131 1.00 0.00 H new ATOM 0 HB THR A 112 -21.894 23.135 -6.873 1.00 0.00 H new ATOM 0 HG1 THR A 112 -24.560 23.070 -7.982 1.00 0.00 H new ATOM 0 HG21 THR A 112 -22.184 21.611 -8.802 1.00 0.00 H new ATOM 0 HG22 THR A 112 -21.953 20.737 -7.269 1.00 0.00 H new ATOM 0 HG23 THR A 112 -23.578 20.869 -7.982 1.00 0.00 H new ATOM 1684 N VAL A 113 -25.637 21.902 -4.711 1.00 0.00 N ATOM 1685 CA VAL A 113 -27.035 21.487 -4.716 1.00 0.00 C ATOM 1686 C VAL A 113 -27.909 22.510 -5.432 1.00 0.00 C ATOM 1687 O VAL A 113 -27.544 23.679 -5.552 1.00 0.00 O ATOM 1688 CB VAL A 113 -27.567 21.287 -3.285 1.00 0.00 C ATOM 1689 CG1 VAL A 113 -28.954 20.664 -3.313 1.00 0.00 C ATOM 1690 CG2 VAL A 113 -26.607 20.431 -2.473 1.00 0.00 C ATOM 0 H VAL A 113 -25.262 22.109 -3.785 1.00 0.00 H new ATOM 0 HA VAL A 113 -27.081 20.537 -5.249 1.00 0.00 H new ATOM 0 HB VAL A 113 -27.642 22.263 -2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -29.313 20.530 -2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -29.636 21.319 -3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -28.908 19.696 -3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -27.000 20.301 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -26.497 19.456 -2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -25.635 20.922 -2.423 1.00 0.00 H new ATOM 1700 N ASP A 114 -29.067 22.062 -5.906 1.00 0.00 N ATOM 1701 CA ASP A 114 -29.995 22.938 -6.612 1.00 0.00 C ATOM 1702 C ASP A 114 -30.565 23.995 -5.671 1.00 0.00 C ATOM 1703 O ASP A 114 -30.261 24.008 -4.478 1.00 0.00 O ATOM 1704 CB ASP A 114 -31.131 22.122 -7.230 1.00 0.00 C ATOM 1705 CG ASP A 114 -31.540 22.641 -8.595 1.00 0.00 C ATOM 1706 OD1 ASP A 114 -31.884 23.838 -8.695 1.00 0.00 O ATOM 1707 OD2 ASP A 114 -31.518 21.851 -9.561 1.00 0.00 O ATOM 0 H ASP A 114 -29.385 21.097 -5.814 1.00 0.00 H new ATOM 0 HA ASP A 114 -29.447 23.442 -7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -30.820 21.081 -7.318 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -31.993 22.142 -6.563 1.00 0.00 H new ATOM 1712 N GLU A 115 -31.394 24.880 -6.216 1.00 0.00 N ATOM 1713 CA GLU A 115 -32.008 25.940 -5.425 1.00 0.00 C ATOM 1714 C GLU A 115 -33.486 25.652 -5.183 1.00 0.00 C ATOM 1715 O GLU A 115 -34.358 26.414 -5.604 1.00 0.00 O ATOM 1716 CB GLU A 115 -31.845 27.289 -6.130 1.00 0.00 C ATOM 1717 CG GLU A 115 -30.451 27.879 -5.999 1.00 0.00 C ATOM 1718 CD GLU A 115 -30.472 29.376 -5.754 1.00 0.00 C ATOM 1719 OE1 GLU A 115 -31.235 29.822 -4.872 1.00 0.00 O ATOM 1720 OE2 GLU A 115 -29.725 30.101 -6.445 1.00 0.00 O ATOM 0 H GLU A 115 -31.656 24.884 -7.202 1.00 0.00 H new ATOM 0 HA GLU A 115 -31.503 25.979 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -32.081 27.168 -7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -32.569 27.994 -5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -29.928 27.388 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -29.886 27.671 -6.907 1.00 0.00 H new ATOM 1727 N THR A 116 -33.763 24.546 -4.499 1.00 0.00 N ATOM 1728 CA THR A 116 -35.136 24.155 -4.200 1.00 0.00 C ATOM 1729 C THR A 116 -35.385 24.153 -2.694 1.00 0.00 C ATOM 1730 O THR A 116 -36.181 23.362 -2.188 1.00 0.00 O ATOM 1731 CB THR A 116 -35.433 22.771 -4.779 1.00 0.00 C ATOM 1732 OG1 THR A 116 -34.338 21.897 -4.574 1.00 0.00 O ATOM 1733 CG2 THR A 116 -35.729 22.795 -6.263 1.00 0.00 C ATOM 0 H THR A 116 -33.055 23.905 -4.141 1.00 0.00 H new ATOM 0 HA THR A 116 -35.803 24.884 -4.660 1.00 0.00 H new ATOM 0 HB THR A 116 -36.321 22.422 -4.253 1.00 0.00 H new ATOM 0 HG1 THR A 116 -34.548 21.016 -4.950 1.00 0.00 H new ATOM 0 HG21 THR A 116 -35.931 21.782 -6.610 1.00 0.00 H new ATOM 0 HG22 THR A 116 -36.600 23.423 -6.450 1.00 0.00 H new ATOM 0 HG23 THR A 116 -34.869 23.198 -6.799 1.00 0.00 H new ATOM 1741 N LYS A 117 -34.698 25.042 -1.985 1.00 0.00 N ATOM 1742 CA LYS A 117 -34.844 25.143 -0.538 1.00 0.00 C ATOM 1743 C LYS A 117 -34.996 26.598 -0.105 1.00 0.00 C ATOM 1744 O LYS A 117 -34.109 27.420 -0.336 1.00 0.00 O ATOM 1745 CB LYS A 117 -33.638 24.513 0.162 1.00 0.00 C ATOM 1746 CG LYS A 117 -33.798 24.405 1.671 1.00 0.00 C ATOM 1747 CD LYS A 117 -33.460 23.010 2.170 1.00 0.00 C ATOM 1748 CE LYS A 117 -32.692 23.058 3.483 1.00 0.00 C ATOM 1749 NZ LYS A 117 -32.207 21.712 3.893 1.00 0.00 N ATOM 0 H LYS A 117 -34.035 25.703 -2.389 1.00 0.00 H new ATOM 0 HA LYS A 117 -35.746 24.602 -0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -33.469 23.518 -0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -32.750 25.105 -0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -33.151 25.134 2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -34.823 24.653 1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -34.378 22.438 2.305 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -32.867 22.488 1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -31.843 23.734 3.382 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -33.334 23.466 4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -31.689 21.788 4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -33.018 21.073 4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -31.574 21.333 3.160 1.00 0.00 H new ATOM 1763 N TRP A 118 -36.125 26.908 0.523 1.00 0.00 N ATOM 1764 CA TRP A 118 -36.393 28.264 0.987 1.00 0.00 C ATOM 1765 C TRP A 118 -37.506 28.272 2.030 1.00 0.00 C ATOM 1766 O TRP A 118 -38.669 28.016 1.714 1.00 0.00 O ATOM 1767 CB TRP A 118 -36.773 29.163 -0.191 1.00 0.00 C ATOM 1768 CG TRP A 118 -36.154 30.524 -0.122 1.00 0.00 C ATOM 1769 CD1 TRP A 118 -36.274 31.431 0.892 1.00 0.00 C ATOM 1770 CD2 TRP A 118 -35.317 31.137 -1.111 1.00 0.00 C ATOM 1771 NE1 TRP A 118 -35.563 32.568 0.595 1.00 0.00 N ATOM 1772 CE2 TRP A 118 -34.966 32.412 -0.629 1.00 0.00 C ATOM 1773 CE3 TRP A 118 -34.828 30.730 -2.356 1.00 0.00 C ATOM 1774 CZ2 TRP A 118 -34.151 33.282 -1.348 1.00 0.00 C ATOM 1775 CZ3 TRP A 118 -34.019 31.594 -3.069 1.00 0.00 C ATOM 1776 CH2 TRP A 118 -33.687 32.858 -2.563 1.00 0.00 C ATOM 0 H TRP A 118 -36.869 26.239 0.722 1.00 0.00 H new ATOM 0 HA TRP A 118 -35.485 28.650 1.450 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -36.469 28.680 -1.120 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -37.858 29.266 -0.225 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -36.845 31.277 1.796 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -35.491 33.394 1.189 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -35.078 29.757 -2.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -33.894 34.257 -0.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -33.636 31.290 -4.032 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -33.052 33.510 -3.144 1.00 0.00 H new ATOM 1787 N ILE A 119 -37.144 28.568 3.274 1.00 0.00 N ATOM 1788 CA ILE A 119 -38.111 28.610 4.363 1.00 0.00 C ATOM 1789 C ILE A 119 -37.942 29.875 5.200 1.00 0.00 C ATOM 1790 O ILE A 119 -36.866 30.135 5.738 1.00 0.00 O ATOM 1791 CB ILE A 119 -37.981 27.374 5.278 1.00 0.00 C ATOM 1792 CG1 ILE A 119 -39.073 27.384 6.349 1.00 0.00 C ATOM 1793 CG2 ILE A 119 -36.602 27.328 5.919 1.00 0.00 C ATOM 1794 CD1 ILE A 119 -39.108 26.125 7.188 1.00 0.00 C ATOM 0 H ILE A 119 -36.186 28.782 3.552 1.00 0.00 H new ATOM 0 HA ILE A 119 -39.102 28.611 3.909 1.00 0.00 H new ATOM 0 HB ILE A 119 -38.106 26.479 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -38.921 28.243 7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -40.042 27.517 5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -36.528 26.450 6.561 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -35.841 27.274 5.141 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -36.448 28.227 6.515 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -39.906 26.202 7.926 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -39.290 25.264 6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -38.153 26.001 7.698 1.00 0.00 H new ATOM 1806 N ALA A 120 -39.011 30.657 5.304 1.00 0.00 N ATOM 1807 CA ALA A 120 -38.981 31.894 6.075 1.00 0.00 C ATOM 1808 C ALA A 120 -39.657 31.713 7.429 1.00 0.00 C ATOM 1809 O ALA A 120 -40.168 30.637 7.740 1.00 0.00 O ATOM 1810 CB ALA A 120 -39.647 33.017 5.296 1.00 0.00 C ATOM 0 H ALA A 120 -39.909 30.456 4.864 1.00 0.00 H new ATOM 0 HA ALA A 120 -37.938 32.158 6.252 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -39.617 33.935 5.884 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -39.118 33.171 4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -40.684 32.752 5.090 1.00 0.00 H new ATOM 1816 N SER A 121 -39.658 32.773 8.232 1.00 0.00 N ATOM 1817 CA SER A 121 -40.272 32.731 9.553 1.00 0.00 C ATOM 1818 C SER A 121 -40.772 34.111 9.965 1.00 0.00 C ATOM 1819 O SER A 121 -39.990 35.052 10.098 1.00 0.00 O ATOM 1820 CB SER A 121 -39.274 32.208 10.587 1.00 0.00 C ATOM 1821 OG SER A 121 -39.217 30.792 10.571 1.00 0.00 O ATOM 0 H SER A 121 -39.240 33.671 7.990 1.00 0.00 H new ATOM 0 HA SER A 121 -41.125 32.054 9.507 1.00 0.00 H new ATOM 0 HB2 SER A 121 -38.285 32.617 10.381 1.00 0.00 H new ATOM 0 HB3 SER A 121 -39.561 32.552 11.581 1.00 0.00 H new ATOM 0 HG SER A 121 -39.606 30.458 9.736 1.00 0.00 H new ATOM 1827 N SER A 122 -42.081 34.225 10.165 1.00 0.00 N ATOM 1828 CA SER A 122 -42.686 35.491 10.562 1.00 0.00 C ATOM 1829 C SER A 122 -42.454 35.764 12.045 1.00 0.00 C ATOM 1830 O SER A 122 -42.048 36.862 12.428 1.00 0.00 O ATOM 1831 CB SER A 122 -44.186 35.480 10.264 1.00 0.00 C ATOM 1832 OG SER A 122 -44.440 35.822 8.912 1.00 0.00 O ATOM 0 H SER A 122 -42.743 33.456 10.059 1.00 0.00 H new ATOM 0 HA SER A 122 -42.213 36.286 9.985 1.00 0.00 H new ATOM 0 HB2 SER A 122 -44.595 34.492 10.475 1.00 0.00 H new ATOM 0 HB3 SER A 122 -44.696 36.183 10.922 1.00 0.00 H new ATOM 0 HG SER A 122 -45.406 35.806 8.746 1.00 0.00 H new ATOM 1838 N SER A 123 -42.711 34.759 12.874 1.00 0.00 N ATOM 1839 CA SER A 123 -42.529 34.890 14.314 1.00 0.00 C ATOM 1840 C SER A 123 -42.675 33.540 15.007 1.00 0.00 C ATOM 1841 O SER A 123 -41.863 33.176 15.858 1.00 0.00 O ATOM 1842 CB SER A 123 -43.542 35.883 14.889 1.00 0.00 C ATOM 1843 OG SER A 123 -44.851 35.603 14.424 1.00 0.00 O ATOM 0 H SER A 123 -43.046 33.844 12.573 1.00 0.00 H new ATOM 0 HA SER A 123 -41.521 35.263 14.494 1.00 0.00 H new ATOM 0 HB2 SER A 123 -43.522 35.838 15.978 1.00 0.00 H new ATOM 0 HB3 SER A 123 -43.262 36.898 14.607 1.00 0.00 H new ATOM 0 HG SER A 123 -45.480 36.250 14.807 1.00 0.00 H new ATOM 1849 N GLY A 124 -43.717 32.800 14.638 1.00 0.00 N ATOM 1850 CA GLY A 124 -43.950 31.498 15.234 1.00 0.00 C ATOM 1851 C GLY A 124 -45.379 31.328 15.718 1.00 0.00 C ATOM 1852 O GLY A 124 -45.707 31.724 16.836 1.00 0.00 O ATOM 0 H GLY A 124 -44.403 33.080 13.937 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -43.722 30.722 14.504 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -43.267 31.358 16.072 1.00 0.00 H new ATOM 1856 N PRO A 125 -46.260 30.737 14.890 1.00 0.00 N ATOM 1857 CA PRO A 125 -47.664 30.523 15.258 1.00 0.00 C ATOM 1858 C PRO A 125 -47.821 29.497 16.374 1.00 0.00 C ATOM 1859 O PRO A 125 -47.239 28.412 16.320 1.00 0.00 O ATOM 1860 CB PRO A 125 -48.298 30.007 13.963 1.00 0.00 C ATOM 1861 CG PRO A 125 -47.170 29.410 13.198 1.00 0.00 C ATOM 1862 CD PRO A 125 -45.959 30.232 13.539 1.00 0.00 C ATOM 0 HA PRO A 125 -48.127 31.432 15.641 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -49.071 29.267 14.169 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -48.770 30.815 13.405 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -47.022 28.365 13.472 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -47.369 29.434 12.127 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -45.049 29.632 13.528 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -45.813 31.046 12.829 1.00 0.00 H new ATOM 1870 N SER A 126 -48.609 29.845 17.385 1.00 0.00 N ATOM 1871 CA SER A 126 -48.842 28.954 18.516 1.00 0.00 C ATOM 1872 C SER A 126 -47.537 28.644 19.244 1.00 0.00 C ATOM 1873 O SER A 126 -46.779 27.765 18.832 1.00 0.00 O ATOM 1874 CB SER A 126 -49.496 27.654 18.043 1.00 0.00 C ATOM 1875 OG SER A 126 -50.909 27.742 18.106 1.00 0.00 O ATOM 0 H SER A 126 -49.098 30.738 17.445 1.00 0.00 H new ATOM 0 HA SER A 126 -49.513 29.459 19.210 1.00 0.00 H new ATOM 0 HB2 SER A 126 -49.187 27.439 17.020 1.00 0.00 H new ATOM 0 HB3 SER A 126 -49.152 26.824 18.661 1.00 0.00 H new ATOM 0 HG SER A 126 -51.303 26.900 17.797 1.00 0.00 H new ATOM 1881 N SER A 127 -47.282 29.371 20.326 1.00 0.00 N ATOM 1882 CA SER A 127 -46.069 29.175 21.112 1.00 0.00 C ATOM 1883 C SER A 127 -46.407 28.865 22.567 1.00 0.00 C ATOM 1884 O SER A 127 -45.662 29.226 23.478 1.00 0.00 O ATOM 1885 CB SER A 127 -45.180 30.417 21.036 1.00 0.00 C ATOM 1886 OG SER A 127 -45.712 31.474 21.815 1.00 0.00 O ATOM 0 H SER A 127 -47.899 30.102 20.679 1.00 0.00 H new ATOM 0 HA SER A 127 -45.529 28.325 20.694 1.00 0.00 H new ATOM 0 HB2 SER A 127 -44.177 30.172 21.386 1.00 0.00 H new ATOM 0 HB3 SER A 127 -45.086 30.738 19.998 1.00 0.00 H new ATOM 0 HG SER A 127 -45.124 32.256 21.751 1.00 0.00 H new ATOM 1892 N GLY A 128 -47.535 28.195 22.778 1.00 0.00 N ATOM 1893 CA GLY A 128 -47.952 27.849 24.123 1.00 0.00 C ATOM 1894 C GLY A 128 -49.155 26.927 24.140 1.00 0.00 C ATOM 1895 O GLY A 128 -49.137 25.940 24.905 1.00 0.00 O ATOM 1896 OXT GLY A 128 -50.117 27.193 23.388 1.00 0.00 O ATOM 0 H GLY A 128 -48.168 27.885 22.040 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -47.124 27.369 24.644 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -48.189 28.760 24.672 1.00 0.00 H new TER 1900 GLY A 128