USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 683 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 HIS : no HD1:sc= -0.146 K(o=-1.2,f=-3.4!) USER MOD Set 1.2: A 91 SER OG : rot 180:sc= -1.09 USER MOD Single : A 7 SER OG : rot 25:sc= 0.173 USER MOD Single : A 8 LYS NZ :NH3+ 158:sc= -0.197 (180deg=-0.765) USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= -0.478 (180deg=-0.584) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0369 USER MOD Single : A 20 GLN : amide:sc= -3.64! C(o=-3.6!,f=-9!) USER MOD Single : A 21 LYS NZ :NH3+ -167:sc= 1.57 (180deg=1.35) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.548 X(o=-0.55,f=-0.61) USER MOD Single : A 28 LYS NZ :NH3+ 154:sc= 2.41 (180deg=1.57) USER MOD Single : A 33 ASN : amide:sc= 1.23 K(o=1.2,f=-0.84) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot -146:sc=0.000172 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= 1.25 (180deg=0.534) USER MOD Single : A 49 LYS NZ :NH3+ -129:sc= 2 (180deg=-2.63!) USER MOD Single : A 50 THR OG1 : rot 94:sc= 1.07 USER MOD Single : A 56 LYS NZ :NH3+ 157:sc= 0.944 (180deg=-1.05!) USER MOD Single : A 57 SER OG : rot 74:sc= 1.27 USER MOD Single : A 61 LYS NZ :NH3+ -145:sc= 1.81 (180deg=0.662) USER MOD Single : A 63 ASN : amide:sc= 0.74 K(o=0.74,f=-0.13) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0.554 K(o=0.55,f=-0.37) USER MOD Single : A 70 GLN : amide:sc= 0.208 X(o=0.21,f=-0.039) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 81:sc= 1.13 USER MOD Single : A 73 THR OG1 : rot 68:sc= 1.12 USER MOD Single : A 75 LYS NZ :NH3+ 138:sc= 1.31 (180deg=0.465) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0.0286 K(o=0.029,f=-2.7) USER MOD Single : A 83 SER OG : rot -21:sc= 0.0753 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 93 ASN : amide:sc= -0.0155 K(o=-0.016,f=-2.2) USER MOD Single : A 96 THR OG1 : rot -177:sc= 1.24 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0529 USER MOD ----------------------------------------------------------------- ATOM 77 N SER A 7 4.697 -10.099 -7.131 1.00 0.00 N ATOM 78 CA SER A 7 4.577 -10.541 -5.756 1.00 0.00 C ATOM 79 C SER A 7 3.961 -11.939 -5.713 1.00 0.00 C ATOM 80 O SER A 7 3.632 -12.497 -6.764 1.00 0.00 O ATOM 81 CB SER A 7 3.733 -9.531 -4.977 1.00 0.00 C ATOM 82 OG SER A 7 4.276 -8.225 -5.107 1.00 0.00 O ATOM 0 HA SER A 7 5.562 -10.598 -5.292 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.707 -9.543 -5.346 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.696 -9.813 -3.925 1.00 0.00 H new ATOM 0 HG SER A 7 4.790 -8.166 -5.939 1.00 0.00 H new ATOM 88 N LYS A 8 3.814 -12.506 -4.516 1.00 0.00 N ATOM 89 CA LYS A 8 3.262 -13.851 -4.367 1.00 0.00 C ATOM 90 C LYS A 8 1.868 -13.907 -4.957 1.00 0.00 C ATOM 91 O LYS A 8 1.531 -14.824 -5.708 1.00 0.00 O ATOM 92 CB LYS A 8 3.193 -14.268 -2.896 1.00 0.00 C ATOM 93 CG LYS A 8 4.506 -14.138 -2.148 1.00 0.00 C ATOM 94 CD LYS A 8 4.437 -14.819 -0.789 1.00 0.00 C ATOM 95 CE LYS A 8 4.449 -16.332 -0.929 1.00 0.00 C ATOM 96 NZ LYS A 8 5.643 -16.797 -1.683 1.00 0.00 N ATOM 0 H LYS A 8 4.069 -12.055 -3.637 1.00 0.00 H new ATOM 0 HA LYS A 8 3.923 -14.538 -4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.440 -13.661 -2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.857 -15.303 -2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.309 -14.580 -2.738 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.750 -13.084 -2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.281 -14.501 -0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.531 -14.507 -0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.440 -16.791 0.060 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.544 -16.659 -1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.832 -17.794 -1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.467 -16.703 -2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.467 -16.220 -1.419 1.00 0.00 H new ATOM 110 N GLU A 9 1.068 -12.907 -4.616 1.00 0.00 N ATOM 111 CA GLU A 9 -0.285 -12.798 -5.126 1.00 0.00 C ATOM 112 C GLU A 9 -0.289 -12.740 -6.647 1.00 0.00 C ATOM 113 O GLU A 9 -1.116 -13.372 -7.287 1.00 0.00 O ATOM 114 CB GLU A 9 -0.994 -11.566 -4.550 1.00 0.00 C ATOM 115 CG GLU A 9 -0.144 -10.303 -4.530 1.00 0.00 C ATOM 116 CD GLU A 9 0.616 -10.133 -3.229 1.00 0.00 C ATOM 117 OE1 GLU A 9 1.638 -10.825 -3.040 1.00 0.00 O ATOM 118 OE2 GLU A 9 0.190 -9.303 -2.400 1.00 0.00 O ATOM 0 H GLU A 9 1.339 -12.155 -3.982 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.829 -13.688 -4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.894 -11.374 -5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.315 -11.789 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.563 -10.332 -5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.785 -9.436 -4.688 1.00 0.00 H new ATOM 125 N GLU A 10 0.663 -12.015 -7.217 1.00 0.00 N ATOM 126 CA GLU A 10 0.715 -11.819 -8.663 1.00 0.00 C ATOM 127 C GLU A 10 1.033 -13.119 -9.389 1.00 0.00 C ATOM 128 O GLU A 10 0.654 -13.304 -10.546 1.00 0.00 O ATOM 129 CB GLU A 10 1.753 -10.755 -9.013 1.00 0.00 C ATOM 130 CG GLU A 10 1.215 -9.666 -9.922 1.00 0.00 C ATOM 131 CD GLU A 10 0.027 -8.949 -9.315 1.00 0.00 C ATOM 132 OE1 GLU A 10 -1.123 -9.334 -9.616 1.00 0.00 O ATOM 133 OE2 GLU A 10 0.236 -7.996 -8.543 1.00 0.00 O ATOM 0 H GLU A 10 1.411 -11.552 -6.702 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.269 -11.483 -8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.122 -10.301 -8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.605 -11.234 -9.496 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.005 -8.945 -10.129 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.924 -10.103 -10.877 1.00 0.00 H new ATOM 140 N LEU A 11 1.721 -14.018 -8.711 1.00 0.00 N ATOM 141 CA LEU A 11 2.059 -15.305 -9.297 1.00 0.00 C ATOM 142 C LEU A 11 0.943 -16.309 -9.054 1.00 0.00 C ATOM 143 O LEU A 11 0.452 -16.958 -9.982 1.00 0.00 O ATOM 144 CB LEU A 11 3.357 -15.840 -8.695 1.00 0.00 C ATOM 145 CG LEU A 11 4.569 -14.919 -8.821 1.00 0.00 C ATOM 146 CD1 LEU A 11 5.769 -15.536 -8.122 1.00 0.00 C ATOM 147 CD2 LEU A 11 4.888 -14.632 -10.283 1.00 0.00 C ATOM 0 H LEU A 11 2.057 -13.884 -7.757 1.00 0.00 H new ATOM 0 HA LEU A 11 2.190 -15.165 -10.370 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.189 -16.047 -7.638 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.594 -16.791 -9.173 1.00 0.00 H new ATOM 0 HG LEU A 11 4.331 -13.971 -8.339 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.627 -14.871 -8.218 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.540 -15.682 -7.067 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.002 -16.498 -8.579 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.755 -13.974 -10.344 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.105 -15.568 -10.798 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.032 -14.149 -10.754 1.00 0.00 H new ATOM 159 N LEU A 12 0.532 -16.409 -7.798 1.00 0.00 N ATOM 160 CA LEU A 12 -0.420 -17.416 -7.379 1.00 0.00 C ATOM 161 C LEU A 12 -1.831 -17.087 -7.855 1.00 0.00 C ATOM 162 O LEU A 12 -2.656 -17.984 -7.991 1.00 0.00 O ATOM 163 CB LEU A 12 -0.393 -17.552 -5.858 1.00 0.00 C ATOM 164 CG LEU A 12 -1.164 -18.745 -5.301 1.00 0.00 C ATOM 165 CD1 LEU A 12 -0.559 -20.055 -5.782 1.00 0.00 C ATOM 166 CD2 LEU A 12 -1.194 -18.700 -3.784 1.00 0.00 C ATOM 0 H LEU A 12 0.850 -15.796 -7.047 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.132 -18.364 -7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.645 -17.627 -5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.799 -16.640 -5.420 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.188 -18.687 -5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.126 -20.890 -5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.593 -20.094 -6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.477 -20.121 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.748 -19.559 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.175 -18.728 -3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.681 -17.781 -3.457 1.00 0.00 H new ATOM 178 N ARG A 13 -2.115 -15.811 -8.110 1.00 0.00 N ATOM 179 CA ARG A 13 -3.420 -15.423 -8.647 1.00 0.00 C ATOM 180 C ARG A 13 -3.655 -16.117 -9.980 1.00 0.00 C ATOM 181 O ARG A 13 -4.757 -16.564 -10.279 1.00 0.00 O ATOM 182 CB ARG A 13 -3.534 -13.899 -8.819 1.00 0.00 C ATOM 183 CG ARG A 13 -2.684 -13.326 -9.949 1.00 0.00 C ATOM 184 CD ARG A 13 -2.780 -11.811 -10.010 1.00 0.00 C ATOM 185 NE ARG A 13 -4.167 -11.356 -10.055 1.00 0.00 N ATOM 186 CZ ARG A 13 -4.614 -10.270 -9.429 1.00 0.00 C ATOM 187 NH1 ARG A 13 -3.757 -9.401 -8.900 1.00 0.00 N ATOM 188 NH2 ARG A 13 -5.918 -10.020 -9.396 1.00 0.00 N ATOM 0 H ARG A 13 -1.469 -15.037 -7.956 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.183 -15.733 -7.933 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.578 -13.643 -9.001 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.246 -13.418 -7.884 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.644 -13.620 -9.807 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.008 -13.750 -10.899 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.284 -11.380 -9.140 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.250 -11.449 -10.891 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.833 -11.904 -10.599 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.753 -9.566 -8.973 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.104 -8.570 -8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.571 -10.659 -9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.266 -9.189 -8.918 1.00 0.00 H new ATOM 202 N GLU A 14 -2.594 -16.220 -10.766 1.00 0.00 N ATOM 203 CA GLU A 14 -2.654 -16.894 -12.049 1.00 0.00 C ATOM 204 C GLU A 14 -2.764 -18.406 -11.862 1.00 0.00 C ATOM 205 O GLU A 14 -3.198 -19.130 -12.755 1.00 0.00 O ATOM 206 CB GLU A 14 -1.421 -16.538 -12.857 1.00 0.00 C ATOM 207 CG GLU A 14 -1.301 -15.048 -13.099 1.00 0.00 C ATOM 208 CD GLU A 14 -2.422 -14.507 -13.958 1.00 0.00 C ATOM 209 OE1 GLU A 14 -2.282 -14.515 -15.198 1.00 0.00 O ATOM 210 OE2 GLU A 14 -3.447 -14.066 -13.399 1.00 0.00 O ATOM 0 H GLU A 14 -1.676 -15.842 -10.533 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.542 -16.564 -12.587 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.532 -16.891 -12.334 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.455 -17.058 -13.815 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.298 -14.527 -12.142 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.346 -14.837 -13.580 1.00 0.00 H new ATOM 217 N LYS A 15 -2.362 -18.873 -10.685 1.00 0.00 N ATOM 218 CA LYS A 15 -2.445 -20.285 -10.336 1.00 0.00 C ATOM 219 C LYS A 15 -3.839 -20.627 -9.805 1.00 0.00 C ATOM 220 O LYS A 15 -4.102 -21.754 -9.380 1.00 0.00 O ATOM 221 CB LYS A 15 -1.401 -20.615 -9.276 1.00 0.00 C ATOM 222 CG LYS A 15 -0.004 -20.102 -9.592 1.00 0.00 C ATOM 223 CD LYS A 15 0.621 -20.801 -10.786 1.00 0.00 C ATOM 224 CE LYS A 15 0.282 -20.124 -12.107 1.00 0.00 C ATOM 225 NZ LYS A 15 0.943 -18.798 -12.241 1.00 0.00 N ATOM 0 H LYS A 15 -1.971 -18.285 -9.949 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.257 -20.876 -11.232 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.723 -20.195 -8.323 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.358 -21.697 -9.149 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.050 -19.031 -9.787 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.635 -20.240 -8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.704 -20.825 -10.662 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.281 -21.836 -10.815 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.588 -20.767 -12.932 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.798 -20.000 -12.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.632 -18.343 -13.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.685 -18.198 -11.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.975 -18.925 -12.262 1.00 0.00 H new ATOM 239 N LEU A 16 -4.717 -19.632 -9.807 1.00 0.00 N ATOM 240 CA LEU A 16 -6.085 -19.796 -9.331 1.00 0.00 C ATOM 241 C LEU A 16 -7.046 -19.793 -10.517 1.00 0.00 C ATOM 242 O LEU A 16 -6.612 -19.750 -11.672 1.00 0.00 O ATOM 243 CB LEU A 16 -6.443 -18.651 -8.377 1.00 0.00 C ATOM 244 CG LEU A 16 -5.472 -18.436 -7.214 1.00 0.00 C ATOM 245 CD1 LEU A 16 -5.848 -17.190 -6.430 1.00 0.00 C ATOM 246 CD2 LEU A 16 -5.445 -19.648 -6.299 1.00 0.00 C ATOM 0 H LEU A 16 -4.502 -18.691 -10.138 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.168 -20.745 -8.801 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.504 -17.727 -8.952 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.436 -18.838 -7.969 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.473 -18.299 -7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.147 -17.053 -5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.810 -16.321 -7.087 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.857 -17.301 -6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.748 -19.470 -5.480 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.442 -19.821 -5.895 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.126 -20.524 -6.864 1.00 0.00 H new ATOM 258 N SER A 17 -8.341 -19.847 -10.245 1.00 0.00 N ATOM 259 CA SER A 17 -9.329 -19.691 -11.299 1.00 0.00 C ATOM 260 C SER A 17 -9.502 -18.205 -11.599 1.00 0.00 C ATOM 261 O SER A 17 -9.037 -17.359 -10.831 1.00 0.00 O ATOM 262 CB SER A 17 -10.665 -20.331 -10.899 1.00 0.00 C ATOM 263 OG SER A 17 -11.178 -19.761 -9.710 1.00 0.00 O ATOM 0 H SER A 17 -8.728 -19.996 -9.313 1.00 0.00 H new ATOM 0 HA SER A 17 -8.983 -20.202 -12.197 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.387 -20.203 -11.706 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.529 -21.403 -10.760 1.00 0.00 H new ATOM 0 HG SER A 17 -12.030 -20.189 -9.483 1.00 0.00 H new ATOM 269 N GLU A 18 -10.161 -17.883 -12.703 1.00 0.00 N ATOM 270 CA GLU A 18 -10.284 -16.494 -13.127 1.00 0.00 C ATOM 271 C GLU A 18 -11.111 -15.680 -12.136 1.00 0.00 C ATOM 272 O GLU A 18 -10.823 -14.508 -11.891 1.00 0.00 O ATOM 273 CB GLU A 18 -10.900 -16.404 -14.525 1.00 0.00 C ATOM 274 CG GLU A 18 -10.104 -17.143 -15.591 1.00 0.00 C ATOM 275 CD GLU A 18 -8.615 -16.850 -15.528 1.00 0.00 C ATOM 276 OE1 GLU A 18 -8.226 -15.670 -15.632 1.00 0.00 O ATOM 277 OE2 GLU A 18 -7.826 -17.806 -15.380 1.00 0.00 O ATOM 0 H GLU A 18 -10.616 -18.558 -13.318 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.279 -16.073 -13.158 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.912 -16.808 -14.494 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.985 -15.355 -14.809 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.263 -18.215 -15.477 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.482 -16.867 -16.576 1.00 0.00 H new ATOM 284 N ASP A 19 -12.129 -16.303 -11.553 1.00 0.00 N ATOM 285 CA ASP A 19 -12.981 -15.608 -10.591 1.00 0.00 C ATOM 286 C ASP A 19 -12.286 -15.498 -9.238 1.00 0.00 C ATOM 287 O ASP A 19 -12.424 -14.489 -8.549 1.00 0.00 O ATOM 288 CB ASP A 19 -14.335 -16.300 -10.436 1.00 0.00 C ATOM 289 CG ASP A 19 -15.378 -15.371 -9.839 1.00 0.00 C ATOM 290 OD1 ASP A 19 -15.638 -15.458 -8.626 1.00 0.00 O ATOM 291 OD2 ASP A 19 -15.953 -14.555 -10.590 1.00 0.00 O ATOM 0 H ASP A 19 -12.384 -17.276 -11.725 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.160 -14.605 -10.978 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -14.677 -16.652 -11.409 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -14.224 -17.178 -9.800 1.00 0.00 H new ATOM 296 N GLN A 20 -11.508 -16.526 -8.877 1.00 0.00 N ATOM 297 CA GLN A 20 -10.720 -16.508 -7.638 1.00 0.00 C ATOM 298 C GLN A 20 -9.781 -15.302 -7.612 1.00 0.00 C ATOM 299 O GLN A 20 -9.445 -14.785 -6.548 1.00 0.00 O ATOM 300 CB GLN A 20 -9.905 -17.801 -7.486 1.00 0.00 C ATOM 301 CG GLN A 20 -10.637 -18.929 -6.767 1.00 0.00 C ATOM 302 CD GLN A 20 -9.785 -20.185 -6.651 1.00 0.00 C ATOM 303 OE1 GLN A 20 -8.560 -20.111 -6.606 1.00 0.00 O ATOM 304 NE2 GLN A 20 -10.415 -21.347 -6.571 1.00 0.00 N ATOM 0 H GLN A 20 -11.407 -17.380 -9.425 1.00 0.00 H new ATOM 0 HA GLN A 20 -11.417 -16.433 -6.804 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.611 -18.149 -8.476 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.988 -17.576 -6.942 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.926 -18.595 -5.771 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.556 -19.164 -7.304 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.434 -21.379 -6.611 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.882 -22.210 -6.469 1.00 0.00 H new ATOM 313 N LYS A 21 -9.377 -14.850 -8.794 1.00 0.00 N ATOM 314 CA LYS A 21 -8.504 -13.688 -8.919 1.00 0.00 C ATOM 315 C LYS A 21 -9.194 -12.424 -8.408 1.00 0.00 C ATOM 316 O LYS A 21 -8.538 -11.484 -7.965 1.00 0.00 O ATOM 317 CB LYS A 21 -8.088 -13.497 -10.377 1.00 0.00 C ATOM 318 CG LYS A 21 -7.311 -14.674 -10.941 1.00 0.00 C ATOM 319 CD LYS A 21 -6.996 -14.480 -12.413 1.00 0.00 C ATOM 320 CE LYS A 21 -6.195 -15.648 -12.965 1.00 0.00 C ATOM 321 NZ LYS A 21 -5.842 -15.451 -14.394 1.00 0.00 N ATOM 0 H LYS A 21 -9.642 -15.273 -9.684 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.617 -13.865 -8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.979 -13.335 -10.983 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.479 -12.597 -10.459 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.383 -14.799 -10.383 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.888 -15.589 -10.809 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.924 -14.375 -12.975 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.435 -13.555 -12.548 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.284 -15.772 -12.380 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.771 -16.567 -12.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.495 -16.347 -14.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.684 -15.141 -14.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.099 -14.727 -14.471 1.00 0.00 H new ATOM 335 N THR A 22 -10.518 -12.415 -8.467 1.00 0.00 N ATOM 336 CA THR A 22 -11.300 -11.287 -7.991 1.00 0.00 C ATOM 337 C THR A 22 -11.310 -11.258 -6.464 1.00 0.00 C ATOM 338 O THR A 22 -11.171 -10.200 -5.845 1.00 0.00 O ATOM 339 CB THR A 22 -12.746 -11.365 -8.514 1.00 0.00 C ATOM 340 OG1 THR A 22 -12.740 -11.642 -9.923 1.00 0.00 O ATOM 341 CG2 THR A 22 -13.489 -10.065 -8.255 1.00 0.00 C ATOM 0 H THR A 22 -11.075 -13.183 -8.843 1.00 0.00 H new ATOM 0 HA THR A 22 -10.839 -10.373 -8.367 1.00 0.00 H new ATOM 0 HB THR A 22 -13.258 -12.168 -7.984 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.662 -11.692 -10.250 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.508 -10.146 -8.634 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.515 -9.868 -7.183 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.978 -9.247 -8.762 1.00 0.00 H new ATOM 349 N HIS A 23 -11.450 -12.432 -5.863 1.00 0.00 N ATOM 350 CA HIS A 23 -11.474 -12.550 -4.411 1.00 0.00 C ATOM 351 C HIS A 23 -10.072 -12.416 -3.836 1.00 0.00 C ATOM 352 O HIS A 23 -9.902 -12.141 -2.650 1.00 0.00 O ATOM 353 CB HIS A 23 -12.103 -13.878 -3.993 1.00 0.00 C ATOM 354 CG HIS A 23 -13.523 -14.005 -4.441 1.00 0.00 C ATOM 355 ND1 HIS A 23 -13.875 -14.809 -5.494 1.00 0.00 N ATOM 356 CD2 HIS A 23 -14.627 -13.389 -3.964 1.00 0.00 C ATOM 357 CE1 HIS A 23 -15.179 -14.666 -5.637 1.00 0.00 C ATOM 358 NE2 HIS A 23 -15.681 -13.814 -4.730 1.00 0.00 N ATOM 0 H HIS A 23 -11.549 -13.318 -6.359 1.00 0.00 H new ATOM 0 HA HIS A 23 -12.083 -11.739 -4.012 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.519 -14.699 -4.409 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.058 -13.972 -2.908 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.670 -12.695 -3.138 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -15.768 -15.171 -6.389 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -16.657 -13.537 -4.630 1.00 0.00 H new ATOM 366 N LEU A 24 -9.075 -12.608 -4.688 1.00 0.00 N ATOM 367 CA LEU A 24 -7.688 -12.361 -4.320 1.00 0.00 C ATOM 368 C LEU A 24 -7.526 -10.880 -3.970 1.00 0.00 C ATOM 369 O LEU A 24 -7.081 -10.531 -2.876 1.00 0.00 O ATOM 370 CB LEU A 24 -6.770 -12.768 -5.488 1.00 0.00 C ATOM 371 CG LEU A 24 -5.275 -12.914 -5.170 1.00 0.00 C ATOM 372 CD1 LEU A 24 -4.613 -11.558 -4.980 1.00 0.00 C ATOM 373 CD2 LEU A 24 -5.077 -13.790 -3.940 1.00 0.00 C ATOM 0 H LEU A 24 -9.202 -12.936 -5.645 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.409 -12.955 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.127 -13.717 -5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.879 -12.028 -6.281 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.796 -13.397 -6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.555 -11.698 -4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.716 -10.971 -5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.092 -11.032 -4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.012 -13.884 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.579 -13.336 -3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.498 -14.778 -4.125 1.00 0.00 H new ATOM 385 N ASP A 25 -7.913 -10.017 -4.906 1.00 0.00 N ATOM 386 CA ASP A 25 -7.926 -8.571 -4.679 1.00 0.00 C ATOM 387 C ASP A 25 -8.851 -8.204 -3.524 1.00 0.00 C ATOM 388 O ASP A 25 -8.537 -7.323 -2.722 1.00 0.00 O ATOM 389 CB ASP A 25 -8.369 -7.822 -5.940 1.00 0.00 C ATOM 390 CG ASP A 25 -7.234 -7.569 -6.913 1.00 0.00 C ATOM 391 OD1 ASP A 25 -6.411 -6.667 -6.647 1.00 0.00 O ATOM 392 OD2 ASP A 25 -7.177 -8.241 -7.961 1.00 0.00 O ATOM 0 H ASP A 25 -8.224 -10.295 -5.837 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.908 -8.275 -4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.148 -8.397 -6.441 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.812 -6.868 -5.652 1.00 0.00 H new ATOM 397 N TRP A 26 -9.995 -8.882 -3.448 1.00 0.00 N ATOM 398 CA TRP A 26 -10.961 -8.649 -2.380 1.00 0.00 C ATOM 399 C TRP A 26 -10.328 -8.903 -1.014 1.00 0.00 C ATOM 400 O TRP A 26 -10.456 -8.088 -0.099 1.00 0.00 O ATOM 401 CB TRP A 26 -12.183 -9.554 -2.579 1.00 0.00 C ATOM 402 CG TRP A 26 -13.240 -9.401 -1.524 1.00 0.00 C ATOM 403 CD1 TRP A 26 -14.289 -8.524 -1.535 1.00 0.00 C ATOM 404 CD2 TRP A 26 -13.356 -10.150 -0.306 1.00 0.00 C ATOM 405 NE1 TRP A 26 -15.046 -8.682 -0.398 1.00 0.00 N ATOM 406 CE2 TRP A 26 -14.496 -9.675 0.369 1.00 0.00 C ATOM 407 CE3 TRP A 26 -12.612 -11.181 0.278 1.00 0.00 C ATOM 408 CZ2 TRP A 26 -14.902 -10.186 1.596 1.00 0.00 C ATOM 409 CZ3 TRP A 26 -13.018 -11.686 1.498 1.00 0.00 C ATOM 410 CH2 TRP A 26 -14.156 -11.191 2.143 1.00 0.00 C ATOM 0 H TRP A 26 -10.275 -9.599 -4.117 1.00 0.00 H new ATOM 0 HA TRP A 26 -11.279 -7.607 -2.417 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -12.624 -9.341 -3.553 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -11.853 -10.593 -2.599 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -14.493 -7.812 -2.321 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -15.882 -8.146 -0.164 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.736 -11.575 -0.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -15.777 -9.802 2.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -12.447 -12.477 1.962 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.451 -11.612 3.093 1.00 0.00 H new ATOM 421 N LEU A 27 -9.634 -10.028 -0.893 1.00 0.00 N ATOM 422 CA LEU A 27 -9.001 -10.411 0.362 1.00 0.00 C ATOM 423 C LEU A 27 -7.838 -9.482 0.690 1.00 0.00 C ATOM 424 O LEU A 27 -7.532 -9.251 1.859 1.00 0.00 O ATOM 425 CB LEU A 27 -8.520 -11.862 0.302 1.00 0.00 C ATOM 426 CG LEU A 27 -7.926 -12.407 1.603 1.00 0.00 C ATOM 427 CD1 LEU A 27 -8.940 -12.324 2.733 1.00 0.00 C ATOM 428 CD2 LEU A 27 -7.467 -13.841 1.410 1.00 0.00 C ATOM 0 H LEU A 27 -9.495 -10.694 -1.653 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.744 -10.323 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.359 -12.494 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.770 -11.947 -0.484 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.064 -11.796 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.497 -12.716 3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.229 -11.284 2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.821 -12.912 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.046 -14.217 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.317 -14.459 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.708 -13.878 0.629 1.00 0.00 H new ATOM 440 N LYS A 28 -7.196 -8.947 -0.342 1.00 0.00 N ATOM 441 CA LYS A 28 -6.133 -7.969 -0.151 1.00 0.00 C ATOM 442 C LYS A 28 -6.688 -6.744 0.560 1.00 0.00 C ATOM 443 O LYS A 28 -6.065 -6.211 1.478 1.00 0.00 O ATOM 444 CB LYS A 28 -5.514 -7.576 -1.496 1.00 0.00 C ATOM 445 CG LYS A 28 -4.363 -6.587 -1.375 1.00 0.00 C ATOM 446 CD LYS A 28 -3.660 -6.373 -2.708 1.00 0.00 C ATOM 447 CE LYS A 28 -2.620 -7.452 -2.976 1.00 0.00 C ATOM 448 NZ LYS A 28 -1.347 -7.200 -2.241 1.00 0.00 N ATOM 0 H LYS A 28 -7.393 -9.173 -1.317 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.350 -8.412 0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.157 -8.475 -1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.288 -7.143 -2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.740 -5.633 -1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.646 -6.952 -0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.397 -6.370 -3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.179 -5.395 -2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.021 -8.422 -2.683 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.417 -7.501 -4.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.855 -8.102 -2.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.740 -6.570 -2.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.557 -6.752 -1.326 1.00 0.00 H new ATOM 462 N GLU A 29 -7.868 -6.315 0.138 1.00 0.00 N ATOM 463 CA GLU A 29 -8.563 -5.221 0.809 1.00 0.00 C ATOM 464 C GLU A 29 -9.044 -5.658 2.189 1.00 0.00 C ATOM 465 O GLU A 29 -9.027 -4.877 3.137 1.00 0.00 O ATOM 466 CB GLU A 29 -9.773 -4.750 0.003 1.00 0.00 C ATOM 467 CG GLU A 29 -9.451 -4.220 -1.382 1.00 0.00 C ATOM 468 CD GLU A 29 -10.671 -3.609 -2.040 1.00 0.00 C ATOM 469 OE1 GLU A 29 -11.734 -4.269 -2.062 1.00 0.00 O ATOM 470 OE2 GLU A 29 -10.582 -2.462 -2.524 1.00 0.00 O ATOM 0 H GLU A 29 -8.365 -6.705 -0.663 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.852 -4.400 0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.472 -5.581 -0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.284 -3.969 0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.661 -3.472 -1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.069 -5.030 -2.003 1.00 0.00 H new ATOM 477 N ALA A 30 -9.488 -6.907 2.279 1.00 0.00 N ATOM 478 CA ALA A 30 -10.005 -7.459 3.525 1.00 0.00 C ATOM 479 C ALA A 30 -8.955 -7.429 4.625 1.00 0.00 C ATOM 480 O ALA A 30 -9.191 -6.893 5.704 1.00 0.00 O ATOM 481 CB ALA A 30 -10.498 -8.882 3.308 1.00 0.00 C ATOM 0 H ALA A 30 -9.500 -7.561 1.496 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.841 -6.836 3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.881 -9.281 4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.293 -8.882 2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.673 -9.504 2.959 1.00 0.00 H new ATOM 487 N LEU A 31 -7.794 -8.001 4.346 1.00 0.00 N ATOM 488 CA LEU A 31 -6.715 -8.039 5.319 1.00 0.00 C ATOM 489 C LEU A 31 -6.045 -6.676 5.439 1.00 0.00 C ATOM 490 O LEU A 31 -5.589 -6.293 6.516 1.00 0.00 O ATOM 491 CB LEU A 31 -5.692 -9.114 4.937 1.00 0.00 C ATOM 492 CG LEU A 31 -6.170 -10.554 5.146 1.00 0.00 C ATOM 493 CD1 LEU A 31 -5.130 -11.542 4.651 1.00 0.00 C ATOM 494 CD2 LEU A 31 -6.476 -10.805 6.617 1.00 0.00 C ATOM 0 H LEU A 31 -7.575 -8.445 3.454 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.137 -8.293 6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.422 -8.984 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.785 -8.958 5.522 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.084 -10.697 4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.490 -12.559 4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.952 -11.381 3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.200 -11.397 5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.814 -11.833 6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.576 -10.641 7.209 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.257 -10.121 6.948 1.00 0.00 H new ATOM 506 N GLY A 32 -5.987 -5.951 4.326 1.00 0.00 N ATOM 507 CA GLY A 32 -5.394 -4.627 4.324 1.00 0.00 C ATOM 508 C GLY A 32 -3.882 -4.676 4.331 1.00 0.00 C ATOM 509 O GLY A 32 -3.229 -4.183 3.413 1.00 0.00 O ATOM 0 H GLY A 32 -6.342 -6.260 3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.734 -4.080 3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.742 -4.074 5.197 1.00 0.00 H new ATOM 513 N ASN A 33 -3.330 -5.282 5.368 1.00 0.00 N ATOM 514 CA ASN A 33 -1.890 -5.435 5.494 1.00 0.00 C ATOM 515 C ASN A 33 -1.386 -6.483 4.519 1.00 0.00 C ATOM 516 O ASN A 33 -1.760 -7.654 4.615 1.00 0.00 O ATOM 517 CB ASN A 33 -1.511 -5.850 6.919 1.00 0.00 C ATOM 518 CG ASN A 33 -1.781 -4.769 7.945 1.00 0.00 C ATOM 519 OD1 ASN A 33 -1.703 -3.576 7.645 1.00 0.00 O ATOM 520 ND2 ASN A 33 -2.094 -5.173 9.163 1.00 0.00 N ATOM 0 H ASN A 33 -3.863 -5.680 6.142 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.428 -4.474 5.268 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.068 -6.747 7.190 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.453 -6.112 6.946 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.281 -4.488 9.895 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.148 -6.170 9.371 1.00 0.00 H new ATOM 527 N ASP A 34 -0.538 -6.068 3.585 1.00 0.00 N ATOM 528 CA ASP A 34 0.057 -6.997 2.628 1.00 0.00 C ATOM 529 C ASP A 34 0.883 -8.043 3.361 1.00 0.00 C ATOM 530 O ASP A 34 1.019 -9.172 2.897 1.00 0.00 O ATOM 531 CB ASP A 34 0.938 -6.266 1.607 1.00 0.00 C ATOM 532 CG ASP A 34 0.138 -5.437 0.620 1.00 0.00 C ATOM 533 OD1 ASP A 34 0.536 -4.280 0.348 1.00 0.00 O ATOM 534 OD2 ASP A 34 -0.893 -5.929 0.112 1.00 0.00 O ATOM 0 H ASP A 34 -0.247 -5.097 3.469 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.756 -7.483 2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.636 -5.617 2.136 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.534 -6.997 1.060 1.00 0.00 H new ATOM 539 N GLY A 35 1.410 -7.662 4.524 1.00 0.00 N ATOM 540 CA GLY A 35 2.192 -8.580 5.332 1.00 0.00 C ATOM 541 C GLY A 35 1.369 -9.754 5.829 1.00 0.00 C ATOM 542 O GLY A 35 1.863 -10.880 5.910 1.00 0.00 O ATOM 0 H GLY A 35 1.307 -6.728 4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.033 -8.951 4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.609 -8.045 6.185 1.00 0.00 H new ATOM 546 N GLU A 36 0.108 -9.496 6.154 1.00 0.00 N ATOM 547 CA GLU A 36 -0.781 -10.546 6.626 1.00 0.00 C ATOM 548 C GLU A 36 -1.457 -11.237 5.450 1.00 0.00 C ATOM 549 O GLU A 36 -1.839 -12.401 5.538 1.00 0.00 O ATOM 550 CB GLU A 36 -1.821 -9.980 7.591 1.00 0.00 C ATOM 551 CG GLU A 36 -1.213 -9.464 8.882 1.00 0.00 C ATOM 552 CD GLU A 36 -2.251 -8.991 9.877 1.00 0.00 C ATOM 553 OE1 GLU A 36 -2.876 -9.846 10.541 1.00 0.00 O ATOM 554 OE2 GLU A 36 -2.430 -7.761 10.019 1.00 0.00 O ATOM 0 H GLU A 36 -0.319 -8.571 6.099 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.187 -11.285 7.164 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.361 -9.170 7.101 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.552 -10.754 7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.615 -10.254 9.337 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.535 -8.642 8.654 1.00 0.00 H new ATOM 561 N PHE A 37 -1.596 -10.512 4.348 1.00 0.00 N ATOM 562 CA PHE A 37 -2.111 -11.089 3.114 1.00 0.00 C ATOM 563 C PHE A 37 -1.120 -12.125 2.587 1.00 0.00 C ATOM 564 O PHE A 37 -1.511 -13.185 2.104 1.00 0.00 O ATOM 565 CB PHE A 37 -2.362 -9.979 2.088 1.00 0.00 C ATOM 566 CG PHE A 37 -3.040 -10.436 0.825 1.00 0.00 C ATOM 567 CD1 PHE A 37 -2.446 -10.232 -0.409 1.00 0.00 C ATOM 568 CD2 PHE A 37 -4.278 -11.056 0.873 1.00 0.00 C ATOM 569 CE1 PHE A 37 -3.073 -10.638 -1.571 1.00 0.00 C ATOM 570 CE2 PHE A 37 -4.909 -11.467 -0.285 1.00 0.00 C ATOM 571 CZ PHE A 37 -4.307 -11.256 -1.509 1.00 0.00 C ATOM 0 H PHE A 37 -1.359 -9.522 4.284 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.060 -11.590 3.303 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.972 -9.204 2.552 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.408 -9.520 1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.481 -9.750 -0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.756 -11.220 1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.599 -10.472 -2.527 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.872 -11.953 -0.233 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.800 -11.573 -2.416 1.00 0.00 H new ATOM 581 N ASP A 38 0.164 -11.804 2.727 1.00 0.00 N ATOM 582 CA ASP A 38 1.269 -12.721 2.422 1.00 0.00 C ATOM 583 C ASP A 38 1.019 -14.095 3.026 1.00 0.00 C ATOM 584 O ASP A 38 1.193 -15.127 2.374 1.00 0.00 O ATOM 585 CB ASP A 38 2.555 -12.146 3.019 1.00 0.00 C ATOM 586 CG ASP A 38 3.800 -12.935 2.663 1.00 0.00 C ATOM 587 OD1 ASP A 38 4.566 -12.481 1.784 1.00 0.00 O ATOM 588 OD2 ASP A 38 4.040 -13.994 3.283 1.00 0.00 O ATOM 0 H ASP A 38 0.474 -10.891 3.059 1.00 0.00 H new ATOM 0 HA ASP A 38 1.352 -12.827 1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.676 -11.119 2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.457 -12.110 4.104 1.00 0.00 H new ATOM 593 N LYS A 39 0.590 -14.076 4.279 1.00 0.00 N ATOM 594 CA LYS A 39 0.358 -15.293 5.054 1.00 0.00 C ATOM 595 C LYS A 39 -0.663 -16.214 4.379 1.00 0.00 C ATOM 596 O LYS A 39 -0.610 -17.433 4.549 1.00 0.00 O ATOM 597 CB LYS A 39 -0.120 -14.930 6.465 1.00 0.00 C ATOM 598 CG LYS A 39 0.092 -16.030 7.496 1.00 0.00 C ATOM 599 CD LYS A 39 1.571 -16.345 7.671 1.00 0.00 C ATOM 600 CE LYS A 39 2.355 -15.127 8.150 1.00 0.00 C ATOM 601 NZ LYS A 39 3.822 -15.370 8.141 1.00 0.00 N ATOM 0 H LYS A 39 0.392 -13.216 4.791 1.00 0.00 H new ATOM 0 HA LYS A 39 1.303 -15.833 5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.403 -14.032 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.181 -14.684 6.425 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.332 -15.722 8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.440 -16.930 7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.688 -17.158 8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.983 -16.694 6.724 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.125 -14.274 7.512 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.037 -14.865 9.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.317 -14.518 8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.046 -16.168 8.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.131 -15.595 7.174 1.00 0.00 H new ATOM 615 N PHE A 40 -1.584 -15.636 3.608 1.00 0.00 N ATOM 616 CA PHE A 40 -2.602 -16.417 2.916 1.00 0.00 C ATOM 617 C PHE A 40 -1.994 -17.130 1.718 1.00 0.00 C ATOM 618 O PHE A 40 -2.245 -18.311 1.483 1.00 0.00 O ATOM 619 CB PHE A 40 -3.741 -15.509 2.454 1.00 0.00 C ATOM 620 CG PHE A 40 -4.794 -16.220 1.647 1.00 0.00 C ATOM 621 CD1 PHE A 40 -4.869 -16.033 0.278 1.00 0.00 C ATOM 622 CD2 PHE A 40 -5.704 -17.075 2.253 1.00 0.00 C ATOM 623 CE1 PHE A 40 -5.827 -16.684 -0.475 1.00 0.00 C ATOM 624 CE2 PHE A 40 -6.665 -17.728 1.505 1.00 0.00 C ATOM 625 CZ PHE A 40 -6.728 -17.532 0.139 1.00 0.00 C ATOM 0 H PHE A 40 -1.644 -14.630 3.449 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.999 -17.160 3.608 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.210 -15.056 3.328 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.326 -14.696 1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.169 -15.369 -0.208 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.661 -17.232 3.321 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.871 -16.530 -1.543 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.367 -18.392 1.988 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.479 -18.040 -0.447 1.00 0.00 H new ATOM 635 N LEU A 41 -1.194 -16.395 0.969 1.00 0.00 N ATOM 636 CA LEU A 41 -0.528 -16.914 -0.206 1.00 0.00 C ATOM 637 C LEU A 41 0.436 -18.029 0.172 1.00 0.00 C ATOM 638 O LEU A 41 0.772 -18.886 -0.647 1.00 0.00 O ATOM 639 CB LEU A 41 0.223 -15.776 -0.885 1.00 0.00 C ATOM 640 CG LEU A 41 -0.639 -14.721 -1.595 1.00 0.00 C ATOM 641 CD1 LEU A 41 -1.235 -15.281 -2.872 1.00 0.00 C ATOM 642 CD2 LEU A 41 -1.752 -14.174 -0.714 1.00 0.00 C ATOM 0 H LEU A 41 -0.988 -15.415 1.162 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.269 -17.329 -0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.832 -15.272 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.908 -16.206 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 41 0.030 -13.894 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.841 -14.516 -3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.433 -15.588 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.860 -16.142 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.326 -13.433 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.409 -14.989 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.319 -13.707 0.171 1.00 0.00 H new ATOM 654 N GLY A 42 0.874 -18.007 1.418 1.00 0.00 N ATOM 655 CA GLY A 42 1.767 -19.031 1.913 1.00 0.00 C ATOM 656 C GLY A 42 1.035 -20.196 2.560 1.00 0.00 C ATOM 657 O GLY A 42 1.572 -20.846 3.457 1.00 0.00 O ATOM 0 H GLY A 42 0.625 -17.292 2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.375 -19.404 1.089 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.450 -18.590 2.639 1.00 0.00 H new ATOM 661 N TYR A 43 -0.192 -20.455 2.131 1.00 0.00 N ATOM 662 CA TYR A 43 -0.932 -21.620 2.607 1.00 0.00 C ATOM 663 C TYR A 43 -0.872 -22.750 1.598 1.00 0.00 C ATOM 664 O TYR A 43 -0.169 -22.665 0.591 1.00 0.00 O ATOM 665 CB TYR A 43 -2.399 -21.281 2.890 1.00 0.00 C ATOM 666 CG TYR A 43 -2.629 -20.635 4.234 1.00 0.00 C ATOM 667 CD1 TYR A 43 -2.226 -21.270 5.398 1.00 0.00 C ATOM 668 CD2 TYR A 43 -3.267 -19.408 4.345 1.00 0.00 C ATOM 669 CE1 TYR A 43 -2.454 -20.708 6.635 1.00 0.00 C ATOM 670 CE2 TYR A 43 -3.497 -18.832 5.579 1.00 0.00 C ATOM 671 CZ TYR A 43 -3.089 -19.485 6.723 1.00 0.00 C ATOM 672 OH TYR A 43 -3.323 -18.915 7.957 1.00 0.00 O ATOM 0 H TYR A 43 -0.696 -19.879 1.457 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.458 -21.936 3.537 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.764 -20.613 2.110 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.991 -22.194 2.831 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.724 -22.224 5.334 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.589 -18.895 3.451 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.138 -21.221 7.531 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.994 -17.875 5.648 1.00 0.00 H new ATOM 0 HH TYR A 43 -4.165 -18.414 7.932 1.00 0.00 H new ATOM 682 N ASP A 44 -1.611 -23.813 1.882 1.00 0.00 N ATOM 683 CA ASP A 44 -1.726 -24.930 0.953 1.00 0.00 C ATOM 684 C ASP A 44 -2.579 -24.508 -0.221 1.00 0.00 C ATOM 685 O ASP A 44 -3.626 -23.897 -0.028 1.00 0.00 O ATOM 686 CB ASP A 44 -2.386 -26.131 1.628 1.00 0.00 C ATOM 687 CG ASP A 44 -2.096 -27.439 0.923 1.00 0.00 C ATOM 688 OD1 ASP A 44 -1.479 -28.327 1.551 1.00 0.00 O ATOM 689 OD2 ASP A 44 -2.482 -27.592 -0.252 1.00 0.00 O ATOM 0 H ASP A 44 -2.140 -23.926 2.747 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.726 -25.213 0.623 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.040 -26.196 2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.464 -25.974 1.662 1.00 0.00 H new ATOM 694 N GLU A 45 -2.155 -24.843 -1.425 1.00 0.00 N ATOM 695 CA GLU A 45 -2.898 -24.466 -2.614 1.00 0.00 C ATOM 696 C GLU A 45 -4.291 -25.072 -2.601 1.00 0.00 C ATOM 697 O GLU A 45 -5.246 -24.457 -3.081 1.00 0.00 O ATOM 698 CB GLU A 45 -2.163 -24.894 -3.874 1.00 0.00 C ATOM 699 CG GLU A 45 -1.738 -23.724 -4.736 1.00 0.00 C ATOM 700 CD GLU A 45 -1.246 -24.153 -6.097 1.00 0.00 C ATOM 701 OE1 GLU A 45 -2.031 -24.051 -7.061 1.00 0.00 O ATOM 702 OE2 GLU A 45 -0.089 -24.611 -6.204 1.00 0.00 O ATOM 0 H GLU A 45 -1.303 -25.374 -1.606 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.988 -23.380 -2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.282 -25.472 -3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.806 -25.553 -4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.580 -23.042 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.949 -23.170 -4.227 1.00 0.00 H new ATOM 709 N SER A 46 -4.412 -26.262 -2.026 1.00 0.00 N ATOM 710 CA SER A 46 -5.699 -26.928 -1.947 1.00 0.00 C ATOM 711 C SER A 46 -6.609 -26.182 -0.982 1.00 0.00 C ATOM 712 O SER A 46 -7.825 -26.169 -1.140 1.00 0.00 O ATOM 713 CB SER A 46 -5.526 -28.378 -1.492 1.00 0.00 C ATOM 714 OG SER A 46 -4.614 -29.071 -2.330 1.00 0.00 O ATOM 0 H SER A 46 -3.638 -26.780 -1.611 1.00 0.00 H new ATOM 0 HA SER A 46 -6.153 -26.929 -2.938 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.167 -28.399 -0.463 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.492 -28.884 -1.503 1.00 0.00 H new ATOM 0 HG SER A 46 -4.519 -29.995 -2.017 1.00 0.00 H new ATOM 720 N LYS A 47 -6.002 -25.532 0.002 1.00 0.00 N ATOM 721 CA LYS A 47 -6.756 -24.816 1.016 1.00 0.00 C ATOM 722 C LYS A 47 -7.013 -23.377 0.588 1.00 0.00 C ATOM 723 O LYS A 47 -8.034 -22.793 0.938 1.00 0.00 O ATOM 724 CB LYS A 47 -6.006 -24.883 2.349 1.00 0.00 C ATOM 725 CG LYS A 47 -5.915 -26.305 2.886 1.00 0.00 C ATOM 726 CD LYS A 47 -5.255 -26.387 4.252 1.00 0.00 C ATOM 727 CE LYS A 47 -5.021 -27.838 4.643 1.00 0.00 C ATOM 728 NZ LYS A 47 -4.468 -27.978 6.013 1.00 0.00 N ATOM 0 H LYS A 47 -4.990 -25.487 0.117 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.730 -25.289 1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.001 -24.480 2.220 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.511 -24.252 3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.918 -26.728 2.948 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.353 -26.918 2.181 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.306 -25.850 4.237 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.885 -25.900 4.997 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.962 -28.384 4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.336 -28.297 3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.047 -28.923 6.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.738 -27.253 6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.231 -27.856 6.709 1.00 0.00 H new ATOM 742 N ILE A 48 -6.089 -22.820 -0.182 1.00 0.00 N ATOM 743 CA ILE A 48 -6.231 -21.469 -0.708 1.00 0.00 C ATOM 744 C ILE A 48 -7.442 -21.362 -1.633 1.00 0.00 C ATOM 745 O ILE A 48 -8.310 -20.510 -1.432 1.00 0.00 O ATOM 746 CB ILE A 48 -4.955 -21.035 -1.458 1.00 0.00 C ATOM 747 CG1 ILE A 48 -3.794 -20.904 -0.470 1.00 0.00 C ATOM 748 CG2 ILE A 48 -5.182 -19.729 -2.207 1.00 0.00 C ATOM 749 CD1 ILE A 48 -2.460 -20.640 -1.129 1.00 0.00 C ATOM 0 H ILE A 48 -5.226 -23.287 -0.458 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.384 -20.801 0.140 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.704 -21.798 -2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.011 -20.094 0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.724 -21.819 0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.268 -19.444 -2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.986 -19.860 -2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.455 -18.946 -1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.687 -20.559 -0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.219 -21.461 -1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.511 -19.709 -1.693 1.00 0.00 H new ATOM 761 N LYS A 49 -7.501 -22.225 -2.647 1.00 0.00 N ATOM 762 CA LYS A 49 -8.635 -22.240 -3.561 1.00 0.00 C ATOM 763 C LYS A 49 -9.940 -22.523 -2.817 1.00 0.00 C ATOM 764 O LYS A 49 -10.961 -21.907 -3.106 1.00 0.00 O ATOM 765 CB LYS A 49 -8.406 -23.280 -4.649 1.00 0.00 C ATOM 766 CG LYS A 49 -7.182 -22.993 -5.507 1.00 0.00 C ATOM 767 CD LYS A 49 -6.503 -24.274 -5.950 1.00 0.00 C ATOM 768 CE LYS A 49 -5.614 -24.057 -7.163 1.00 0.00 C ATOM 769 NZ LYS A 49 -4.551 -23.039 -6.946 1.00 0.00 N ATOM 0 H LYS A 49 -6.781 -22.917 -2.853 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.721 -21.255 -4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.295 -24.261 -4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.287 -23.327 -5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.477 -22.415 -6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.477 -22.382 -4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.906 -24.670 -5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.259 -25.023 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.149 -25.004 -7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.233 -23.751 -8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.573 -22.344 -7.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.714 -22.554 -6.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.622 -23.506 -6.926 1.00 0.00 H new ATOM 783 N THR A 50 -9.900 -23.440 -1.854 1.00 0.00 N ATOM 784 CA THR A 50 -11.073 -23.749 -1.044 1.00 0.00 C ATOM 785 C THR A 50 -11.538 -22.524 -0.254 1.00 0.00 C ATOM 786 O THR A 50 -12.733 -22.226 -0.205 1.00 0.00 O ATOM 787 CB THR A 50 -10.785 -24.925 -0.086 1.00 0.00 C ATOM 788 OG1 THR A 50 -10.603 -26.129 -0.843 1.00 0.00 O ATOM 789 CG2 THR A 50 -11.914 -25.119 0.915 1.00 0.00 C ATOM 0 H THR A 50 -9.069 -23.981 -1.616 1.00 0.00 H new ATOM 0 HA THR A 50 -11.874 -24.042 -1.722 1.00 0.00 H new ATOM 0 HB THR A 50 -9.877 -24.692 0.470 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.649 -26.263 -1.021 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.677 -25.955 1.573 1.00 0.00 H new ATOM 0 HG22 THR A 50 -12.034 -24.213 1.509 1.00 0.00 H new ATOM 0 HG23 THR A 50 -12.841 -25.328 0.382 1.00 0.00 H new ATOM 797 N ALA A 51 -10.591 -21.807 0.346 1.00 0.00 N ATOM 798 CA ALA A 51 -10.908 -20.594 1.089 1.00 0.00 C ATOM 799 C ALA A 51 -11.586 -19.577 0.182 1.00 0.00 C ATOM 800 O ALA A 51 -12.652 -19.052 0.508 1.00 0.00 O ATOM 801 CB ALA A 51 -9.651 -19.998 1.710 1.00 0.00 C ATOM 0 H ALA A 51 -9.600 -22.046 0.331 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.596 -20.856 1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -9.911 -19.093 2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.204 -20.721 2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.938 -19.752 0.923 1.00 0.00 H new ATOM 807 N LEU A 52 -10.974 -19.324 -0.971 1.00 0.00 N ATOM 808 CA LEU A 52 -11.513 -18.372 -1.934 1.00 0.00 C ATOM 809 C LEU A 52 -12.863 -18.836 -2.473 1.00 0.00 C ATOM 810 O LEU A 52 -13.781 -18.037 -2.626 1.00 0.00 O ATOM 811 CB LEU A 52 -10.532 -18.169 -3.088 1.00 0.00 C ATOM 812 CG LEU A 52 -9.204 -17.516 -2.699 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.283 -17.433 -3.904 1.00 0.00 C ATOM 814 CD2 LEU A 52 -9.440 -16.128 -2.116 1.00 0.00 C ATOM 0 H LEU A 52 -10.102 -19.767 -1.261 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.659 -17.423 -1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.324 -19.137 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.012 -17.555 -3.850 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.727 -18.133 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.342 -16.966 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.088 -18.436 -4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.757 -16.837 -4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.484 -15.680 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.938 -15.502 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.067 -16.208 -1.228 1.00 0.00 H new ATOM 826 N ASP A 53 -12.980 -20.132 -2.742 1.00 0.00 N ATOM 827 CA ASP A 53 -14.220 -20.701 -3.263 1.00 0.00 C ATOM 828 C ASP A 53 -15.348 -20.559 -2.248 1.00 0.00 C ATOM 829 O ASP A 53 -16.499 -20.316 -2.612 1.00 0.00 O ATOM 830 CB ASP A 53 -14.023 -22.174 -3.625 1.00 0.00 C ATOM 831 CG ASP A 53 -15.204 -22.755 -4.376 1.00 0.00 C ATOM 832 OD1 ASP A 53 -15.245 -22.625 -5.617 1.00 0.00 O ATOM 833 OD2 ASP A 53 -16.087 -23.361 -3.734 1.00 0.00 O ATOM 0 H ASP A 53 -12.230 -20.810 -2.608 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.492 -20.151 -4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.124 -22.277 -4.233 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.859 -22.749 -2.714 1.00 0.00 H new ATOM 838 N HIS A 54 -15.013 -20.705 -0.969 1.00 0.00 N ATOM 839 CA HIS A 54 -15.989 -20.507 0.095 1.00 0.00 C ATOM 840 C HIS A 54 -16.394 -19.039 0.171 1.00 0.00 C ATOM 841 O HIS A 54 -17.581 -18.718 0.258 1.00 0.00 O ATOM 842 CB HIS A 54 -15.437 -20.975 1.447 1.00 0.00 C ATOM 843 CG HIS A 54 -16.369 -20.707 2.587 1.00 0.00 C ATOM 844 ND1 HIS A 54 -17.518 -21.437 2.769 1.00 0.00 N ATOM 845 CD2 HIS A 54 -16.294 -19.754 3.542 1.00 0.00 C ATOM 846 CE1 HIS A 54 -18.113 -20.909 3.823 1.00 0.00 C ATOM 847 NE2 HIS A 54 -17.409 -19.889 4.324 1.00 0.00 N ATOM 0 H HIS A 54 -14.079 -20.958 -0.647 1.00 0.00 H new ATOM 0 HA HIS A 54 -16.869 -21.108 -0.137 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -15.231 -22.044 1.398 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -14.487 -20.476 1.637 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -15.506 -19.026 3.665 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -19.051 -21.258 4.229 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -17.656 -19.320 5.134 1.00 0.00 H new ATOM 855 N ILE A 55 -15.400 -18.153 0.137 1.00 0.00 N ATOM 856 CA ILE A 55 -15.657 -16.718 0.089 1.00 0.00 C ATOM 857 C ILE A 55 -16.577 -16.397 -1.086 1.00 0.00 C ATOM 858 O ILE A 55 -17.567 -15.687 -0.934 1.00 0.00 O ATOM 859 CB ILE A 55 -14.347 -15.908 -0.042 1.00 0.00 C ATOM 860 CG1 ILE A 55 -13.461 -16.128 1.186 1.00 0.00 C ATOM 861 CG2 ILE A 55 -14.641 -14.424 -0.220 1.00 0.00 C ATOM 862 CD1 ILE A 55 -12.107 -15.458 1.091 1.00 0.00 C ATOM 0 H ILE A 55 -14.412 -18.405 0.142 1.00 0.00 H new ATOM 0 HA ILE A 55 -16.137 -16.434 1.025 1.00 0.00 H new ATOM 0 HB ILE A 55 -13.817 -16.260 -0.927 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -13.980 -15.754 2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.317 -17.199 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -13.703 -13.876 -0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -15.236 -14.276 -1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -15.195 -14.057 0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.537 -15.659 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.567 -15.849 0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -12.241 -14.382 0.978 1.00 0.00 H new ATOM 874 N LYS A 56 -16.248 -16.957 -2.244 1.00 0.00 N ATOM 875 CA LYS A 56 -17.062 -16.816 -3.446 1.00 0.00 C ATOM 876 C LYS A 56 -18.494 -17.287 -3.196 1.00 0.00 C ATOM 877 O LYS A 56 -19.451 -16.613 -3.571 1.00 0.00 O ATOM 878 CB LYS A 56 -16.423 -17.616 -4.589 1.00 0.00 C ATOM 879 CG LYS A 56 -17.212 -17.600 -5.886 1.00 0.00 C ATOM 880 CD LYS A 56 -16.387 -18.157 -7.033 1.00 0.00 C ATOM 881 CE LYS A 56 -17.192 -18.236 -8.316 1.00 0.00 C ATOM 882 NZ LYS A 56 -17.789 -16.928 -8.680 1.00 0.00 N ATOM 0 H LYS A 56 -15.409 -17.522 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 56 -17.105 -15.762 -3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.426 -17.219 -4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.299 -18.650 -4.267 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -18.122 -18.188 -5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -17.519 -16.580 -6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.511 -17.527 -7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -16.022 -19.150 -6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -16.549 -18.579 -9.127 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -17.984 -18.976 -8.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.985 -16.908 -9.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -18.676 -16.793 -8.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -17.125 -16.164 -8.440 1.00 0.00 H new ATOM 896 N SER A 57 -18.629 -18.431 -2.537 1.00 0.00 N ATOM 897 CA SER A 57 -19.934 -19.011 -2.251 1.00 0.00 C ATOM 898 C SER A 57 -20.788 -18.085 -1.382 1.00 0.00 C ATOM 899 O SER A 57 -21.961 -17.848 -1.681 1.00 0.00 O ATOM 900 CB SER A 57 -19.763 -20.368 -1.565 1.00 0.00 C ATOM 901 OG SER A 57 -19.063 -21.275 -2.403 1.00 0.00 O ATOM 0 H SER A 57 -17.843 -18.979 -2.188 1.00 0.00 H new ATOM 0 HA SER A 57 -20.454 -19.146 -3.199 1.00 0.00 H new ATOM 0 HB2 SER A 57 -19.221 -20.240 -0.628 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.741 -20.779 -1.314 1.00 0.00 H new ATOM 0 HG SER A 57 -18.115 -21.027 -2.433 1.00 0.00 H new ATOM 907 N GLU A 58 -20.208 -17.565 -0.307 1.00 0.00 N ATOM 908 CA GLU A 58 -20.933 -16.686 0.594 1.00 0.00 C ATOM 909 C GLU A 58 -21.154 -15.315 -0.033 1.00 0.00 C ATOM 910 O GLU A 58 -22.269 -14.794 -0.039 1.00 0.00 O ATOM 911 CB GLU A 58 -20.176 -16.548 1.915 1.00 0.00 C ATOM 912 CG GLU A 58 -20.017 -17.864 2.654 1.00 0.00 C ATOM 913 CD GLU A 58 -21.341 -18.564 2.857 1.00 0.00 C ATOM 914 OE1 GLU A 58 -21.712 -19.400 2.005 1.00 0.00 O ATOM 915 OE2 GLU A 58 -22.024 -18.270 3.854 1.00 0.00 O ATOM 0 H GLU A 58 -19.239 -17.738 -0.041 1.00 0.00 H new ATOM 0 HA GLU A 58 -21.910 -17.129 0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.190 -16.128 1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -20.702 -15.840 2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -19.345 -18.515 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.551 -17.682 3.622 1.00 0.00 H new ATOM 922 N LEU A 59 -20.096 -14.755 -0.589 1.00 0.00 N ATOM 923 CA LEU A 59 -20.116 -13.384 -1.083 1.00 0.00 C ATOM 924 C LEU A 59 -21.063 -13.229 -2.272 1.00 0.00 C ATOM 925 O LEU A 59 -21.510 -12.124 -2.580 1.00 0.00 O ATOM 926 CB LEU A 59 -18.699 -12.964 -1.473 1.00 0.00 C ATOM 927 CG LEU A 59 -18.469 -11.463 -1.592 1.00 0.00 C ATOM 928 CD1 LEU A 59 -18.906 -10.766 -0.318 1.00 0.00 C ATOM 929 CD2 LEU A 59 -17.005 -11.182 -1.876 1.00 0.00 C ATOM 0 H LEU A 59 -19.202 -15.231 -0.712 1.00 0.00 H new ATOM 0 HA LEU A 59 -20.484 -12.737 -0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -18.004 -13.363 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -18.451 -13.429 -2.427 1.00 0.00 H new ATOM 0 HG LEU A 59 -19.064 -11.077 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -18.737 -9.693 -0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -19.966 -10.953 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -18.329 -11.150 0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.851 -10.106 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.395 -11.574 -1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.717 -11.663 -2.810 1.00 0.00 H new ATOM 941 N ASP A 60 -21.373 -14.342 -2.925 1.00 0.00 N ATOM 942 CA ASP A 60 -22.255 -14.329 -4.088 1.00 0.00 C ATOM 943 C ASP A 60 -23.718 -14.209 -3.664 1.00 0.00 C ATOM 944 O ASP A 60 -24.561 -13.791 -4.452 1.00 0.00 O ATOM 945 CB ASP A 60 -22.056 -15.598 -4.919 1.00 0.00 C ATOM 946 CG ASP A 60 -22.669 -15.501 -6.303 1.00 0.00 C ATOM 947 OD1 ASP A 60 -22.028 -14.910 -7.199 1.00 0.00 O ATOM 948 OD2 ASP A 60 -23.773 -16.045 -6.516 1.00 0.00 O ATOM 0 H ASP A 60 -21.027 -15.267 -2.670 1.00 0.00 H new ATOM 0 HA ASP A 60 -22.000 -13.460 -4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -20.989 -15.801 -5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -22.496 -16.444 -4.391 1.00 0.00 H new ATOM 953 N LYS A 61 -24.016 -14.583 -2.418 1.00 0.00 N ATOM 954 CA LYS A 61 -25.377 -14.503 -1.895 1.00 0.00 C ATOM 955 C LYS A 61 -25.861 -13.059 -1.766 1.00 0.00 C ATOM 956 O LYS A 61 -27.042 -12.773 -1.973 1.00 0.00 O ATOM 957 CB LYS A 61 -25.443 -15.187 -0.533 1.00 0.00 C ATOM 958 CG LYS A 61 -25.026 -16.643 -0.581 1.00 0.00 C ATOM 959 CD LYS A 61 -25.039 -17.270 0.795 1.00 0.00 C ATOM 960 CE LYS A 61 -24.852 -18.774 0.721 1.00 0.00 C ATOM 961 NZ LYS A 61 -23.536 -19.165 0.148 1.00 0.00 N ATOM 0 H LYS A 61 -23.331 -14.944 -1.754 1.00 0.00 H new ATOM 0 HA LYS A 61 -26.032 -15.009 -2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -24.800 -14.653 0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -26.460 -15.119 -0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -25.699 -17.193 -1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -24.026 -16.722 -1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -24.247 -16.833 1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -25.983 -17.043 1.291 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -24.947 -19.197 1.721 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -25.649 -19.205 0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -23.646 -20.034 -0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -23.182 -18.401 -0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -22.858 -19.334 0.919 1.00 0.00 H new ATOM 975 N CYS A 62 -24.954 -12.156 -1.427 1.00 0.00 N ATOM 976 CA CYS A 62 -25.318 -10.765 -1.181 1.00 0.00 C ATOM 977 C CYS A 62 -25.456 -9.997 -2.494 1.00 0.00 C ATOM 978 O CYS A 62 -24.465 -9.736 -3.176 1.00 0.00 O ATOM 979 CB CYS A 62 -24.271 -10.096 -0.288 1.00 0.00 C ATOM 980 SG CYS A 62 -23.841 -11.059 1.201 1.00 0.00 S ATOM 0 H CYS A 62 -23.961 -12.359 -1.315 1.00 0.00 H new ATOM 0 HA CYS A 62 -26.282 -10.750 -0.673 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -23.366 -9.925 -0.872 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -24.642 -9.118 0.019 1.00 0.00 H new ATOM 985 N ASN A 63 -26.688 -9.638 -2.839 1.00 0.00 N ATOM 986 CA ASN A 63 -26.963 -8.899 -4.064 1.00 0.00 C ATOM 987 C ASN A 63 -27.989 -7.812 -3.798 1.00 0.00 C ATOM 988 O ASN A 63 -29.189 -8.078 -3.719 1.00 0.00 O ATOM 989 CB ASN A 63 -27.481 -9.819 -5.175 1.00 0.00 C ATOM 990 CG ASN A 63 -26.451 -10.825 -5.644 1.00 0.00 C ATOM 991 OD1 ASN A 63 -25.639 -10.536 -6.524 1.00 0.00 O ATOM 992 ND2 ASN A 63 -26.487 -12.016 -5.074 1.00 0.00 N ATOM 0 H ASN A 63 -27.516 -9.849 -2.283 1.00 0.00 H new ATOM 0 HA ASN A 63 -26.025 -8.454 -4.395 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -28.362 -10.351 -4.816 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -27.799 -9.212 -6.023 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -25.826 -12.738 -5.359 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -27.176 -12.214 -4.349 1.00 0.00 H new ATOM 999 N GLY A 64 -27.509 -6.596 -3.647 1.00 0.00 N ATOM 1000 CA GLY A 64 -28.386 -5.473 -3.397 1.00 0.00 C ATOM 1001 C GLY A 64 -27.607 -4.191 -3.212 1.00 0.00 C ATOM 1002 O GLY A 64 -26.408 -4.143 -3.494 1.00 0.00 O ATOM 0 H GLY A 64 -26.518 -6.360 -3.693 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -29.081 -5.361 -4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -28.984 -5.668 -2.507 1.00 0.00 H new ATOM 1006 N ASN A 65 -28.274 -3.153 -2.731 1.00 0.00 N ATOM 1007 CA ASN A 65 -27.624 -1.866 -2.515 1.00 0.00 C ATOM 1008 C ASN A 65 -26.765 -1.914 -1.258 1.00 0.00 C ATOM 1009 O ASN A 65 -25.620 -1.461 -1.251 1.00 0.00 O ATOM 1010 CB ASN A 65 -28.661 -0.748 -2.389 1.00 0.00 C ATOM 1011 CG ASN A 65 -29.625 -0.705 -3.558 1.00 0.00 C ATOM 1012 OD1 ASN A 65 -30.697 -1.310 -3.514 1.00 0.00 O ATOM 1013 ND2 ASN A 65 -29.252 -0.010 -4.619 1.00 0.00 N ATOM 0 H ASN A 65 -29.263 -3.175 -2.483 1.00 0.00 H new ATOM 0 HA ASN A 65 -26.989 -1.658 -3.376 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -29.223 -0.883 -1.465 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -28.147 0.210 -2.312 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -29.860 0.038 -5.437 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -28.357 0.479 -4.620 1.00 0.00 H new ATOM 1020 N ASP A 66 -27.323 -2.499 -0.206 1.00 0.00 N ATOM 1021 CA ASP A 66 -26.637 -2.625 1.078 1.00 0.00 C ATOM 1022 C ASP A 66 -25.519 -3.653 0.986 1.00 0.00 C ATOM 1023 O ASP A 66 -24.602 -3.672 1.809 1.00 0.00 O ATOM 1024 CB ASP A 66 -27.628 -3.048 2.165 1.00 0.00 C ATOM 1025 CG ASP A 66 -28.076 -4.492 2.013 1.00 0.00 C ATOM 1026 OD1 ASP A 66 -28.561 -4.866 0.920 1.00 0.00 O ATOM 1027 OD2 ASP A 66 -27.952 -5.263 2.987 1.00 0.00 O ATOM 0 H ASP A 66 -28.261 -2.899 -0.216 1.00 0.00 H new ATOM 0 HA ASP A 66 -26.209 -1.656 1.334 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -27.167 -2.915 3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -28.500 -2.395 2.131 1.00 0.00 H new ATOM 1032 N ALA A 67 -25.600 -4.499 -0.033 1.00 0.00 N ATOM 1033 CA ALA A 67 -24.643 -5.577 -0.224 1.00 0.00 C ATOM 1034 C ALA A 67 -23.225 -5.049 -0.388 1.00 0.00 C ATOM 1035 O ALA A 67 -22.266 -5.746 -0.077 1.00 0.00 O ATOM 1036 CB ALA A 67 -25.032 -6.429 -1.419 1.00 0.00 C ATOM 0 H ALA A 67 -26.328 -4.456 -0.746 1.00 0.00 H new ATOM 0 HA ALA A 67 -24.663 -6.196 0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -24.304 -7.231 -1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -26.020 -6.859 -1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -25.051 -5.810 -2.316 1.00 0.00 H new ATOM 1042 N ASP A 68 -23.093 -3.814 -0.861 1.00 0.00 N ATOM 1043 CA ASP A 68 -21.776 -3.196 -1.017 1.00 0.00 C ATOM 1044 C ASP A 68 -21.077 -3.100 0.340 1.00 0.00 C ATOM 1045 O ASP A 68 -19.873 -3.339 0.461 1.00 0.00 O ATOM 1046 CB ASP A 68 -21.908 -1.806 -1.648 1.00 0.00 C ATOM 1047 CG ASP A 68 -20.567 -1.184 -1.989 1.00 0.00 C ATOM 1048 OD1 ASP A 68 -20.134 -0.258 -1.268 1.00 0.00 O ATOM 1049 OD2 ASP A 68 -19.952 -1.597 -2.996 1.00 0.00 O ATOM 0 H ASP A 68 -23.875 -3.222 -1.142 1.00 0.00 H new ATOM 0 HA ASP A 68 -21.174 -3.819 -1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -22.510 -1.879 -2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -22.443 -1.150 -0.962 1.00 0.00 H new ATOM 1054 N GLN A 69 -21.855 -2.794 1.371 1.00 0.00 N ATOM 1055 CA GLN A 69 -21.332 -2.704 2.727 1.00 0.00 C ATOM 1056 C GLN A 69 -21.270 -4.084 3.366 1.00 0.00 C ATOM 1057 O GLN A 69 -20.404 -4.352 4.199 1.00 0.00 O ATOM 1058 CB GLN A 69 -22.184 -1.755 3.577 1.00 0.00 C ATOM 1059 CG GLN A 69 -21.802 -0.285 3.435 1.00 0.00 C ATOM 1060 CD GLN A 69 -21.677 0.161 1.989 1.00 0.00 C ATOM 1061 OE1 GLN A 69 -22.654 0.581 1.371 1.00 0.00 O ATOM 1062 NE2 GLN A 69 -20.470 0.082 1.445 1.00 0.00 N ATOM 0 H GLN A 69 -22.854 -2.603 1.292 1.00 0.00 H new ATOM 0 HA GLN A 69 -20.321 -2.300 2.677 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -23.231 -1.876 3.300 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -22.096 -2.043 4.624 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -22.551 0.329 3.935 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -20.855 -0.111 3.946 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -19.686 -0.272 1.993 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -20.326 0.376 0.479 1.00 0.00 H new ATOM 1071 N GLN A 70 -22.181 -4.961 2.965 1.00 0.00 N ATOM 1072 CA GLN A 70 -22.159 -6.347 3.415 1.00 0.00 C ATOM 1073 C GLN A 70 -20.868 -7.026 2.965 1.00 0.00 C ATOM 1074 O GLN A 70 -20.200 -7.700 3.749 1.00 0.00 O ATOM 1075 CB GLN A 70 -23.363 -7.107 2.860 1.00 0.00 C ATOM 1076 CG GLN A 70 -24.703 -6.554 3.314 1.00 0.00 C ATOM 1077 CD GLN A 70 -24.946 -6.759 4.795 1.00 0.00 C ATOM 1078 OE1 GLN A 70 -24.601 -5.915 5.621 1.00 0.00 O ATOM 1079 NE2 GLN A 70 -25.535 -7.893 5.141 1.00 0.00 N ATOM 0 H GLN A 70 -22.946 -4.737 2.328 1.00 0.00 H new ATOM 0 HA GLN A 70 -22.207 -6.357 4.504 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -23.323 -7.086 1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -23.291 -8.152 3.162 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -24.748 -5.489 3.086 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -25.501 -7.035 2.749 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -25.805 -8.567 4.424 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -25.718 -8.093 6.124 1.00 0.00 H new ATOM 1088 N LYS A 71 -20.510 -6.818 1.700 1.00 0.00 N ATOM 1089 CA LYS A 71 -19.291 -7.391 1.131 1.00 0.00 C ATOM 1090 C LYS A 71 -18.049 -6.770 1.763 1.00 0.00 C ATOM 1091 O LYS A 71 -16.960 -7.341 1.717 1.00 0.00 O ATOM 1092 CB LYS A 71 -19.264 -7.190 -0.390 1.00 0.00 C ATOM 1093 CG LYS A 71 -20.421 -7.862 -1.112 1.00 0.00 C ATOM 1094 CD LYS A 71 -20.359 -7.635 -2.614 1.00 0.00 C ATOM 1095 CE LYS A 71 -21.558 -8.251 -3.317 1.00 0.00 C ATOM 1096 NZ LYS A 71 -21.547 -7.985 -4.778 1.00 0.00 N ATOM 0 H LYS A 71 -21.051 -6.253 1.045 1.00 0.00 H new ATOM 0 HA LYS A 71 -19.289 -8.459 1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -19.282 -6.122 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.325 -7.580 -0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -20.406 -8.932 -0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -21.364 -7.476 -0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -20.324 -6.565 -2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -19.441 -8.067 -3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -21.565 -9.327 -3.145 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -22.476 -7.853 -2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -22.382 -8.423 -5.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -21.567 -6.959 -4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -20.684 -8.387 -5.198 1.00 0.00 H new ATOM 1110 N THR A 72 -18.223 -5.597 2.355 1.00 0.00 N ATOM 1111 CA THR A 72 -17.139 -4.927 3.056 1.00 0.00 C ATOM 1112 C THR A 72 -17.058 -5.417 4.505 1.00 0.00 C ATOM 1113 O THR A 72 -15.976 -5.521 5.081 1.00 0.00 O ATOM 1114 CB THR A 72 -17.320 -3.395 3.015 1.00 0.00 C ATOM 1115 OG1 THR A 72 -17.384 -2.958 1.652 1.00 0.00 O ATOM 1116 CG2 THR A 72 -16.177 -2.681 3.724 1.00 0.00 C ATOM 0 H THR A 72 -19.107 -5.089 2.363 1.00 0.00 H new ATOM 0 HA THR A 72 -16.205 -5.172 2.551 1.00 0.00 H new ATOM 0 HB THR A 72 -18.247 -3.148 3.532 1.00 0.00 H new ATOM 0 HG1 THR A 72 -18.287 -3.108 1.302 1.00 0.00 H new ATOM 0 HG21 THR A 72 -16.336 -1.604 3.676 1.00 0.00 H new ATOM 0 HG22 THR A 72 -16.142 -2.997 4.767 1.00 0.00 H new ATOM 0 HG23 THR A 72 -15.234 -2.931 3.237 1.00 0.00 H new ATOM 1124 N THR A 73 -18.209 -5.737 5.081 1.00 0.00 N ATOM 1125 CA THR A 73 -18.264 -6.276 6.432 1.00 0.00 C ATOM 1126 C THR A 73 -17.759 -7.717 6.456 1.00 0.00 C ATOM 1127 O THR A 73 -17.102 -8.142 7.407 1.00 0.00 O ATOM 1128 CB THR A 73 -19.700 -6.216 6.991 1.00 0.00 C ATOM 1129 OG1 THR A 73 -20.183 -4.867 6.926 1.00 0.00 O ATOM 1130 CG2 THR A 73 -19.751 -6.708 8.432 1.00 0.00 C ATOM 0 H THR A 73 -19.119 -5.632 4.632 1.00 0.00 H new ATOM 0 HA THR A 73 -17.619 -5.664 7.062 1.00 0.00 H new ATOM 0 HB THR A 73 -20.331 -6.867 6.386 1.00 0.00 H new ATOM 0 HG1 THR A 73 -20.304 -4.608 5.989 1.00 0.00 H new ATOM 0 HG21 THR A 73 -20.776 -6.654 8.799 1.00 0.00 H new ATOM 0 HG22 THR A 73 -19.404 -7.740 8.477 1.00 0.00 H new ATOM 0 HG23 THR A 73 -19.110 -6.082 9.053 1.00 0.00 H new ATOM 1138 N PHE A 74 -18.044 -8.450 5.385 1.00 0.00 N ATOM 1139 CA PHE A 74 -17.593 -9.830 5.246 1.00 0.00 C ATOM 1140 C PHE A 74 -16.067 -9.890 5.258 1.00 0.00 C ATOM 1141 O PHE A 74 -15.475 -10.880 5.688 1.00 0.00 O ATOM 1142 CB PHE A 74 -18.154 -10.431 3.952 1.00 0.00 C ATOM 1143 CG PHE A 74 -17.863 -11.896 3.770 1.00 0.00 C ATOM 1144 CD1 PHE A 74 -18.072 -12.798 4.803 1.00 0.00 C ATOM 1145 CD2 PHE A 74 -17.405 -12.371 2.554 1.00 0.00 C ATOM 1146 CE1 PHE A 74 -17.821 -14.146 4.620 1.00 0.00 C ATOM 1147 CE2 PHE A 74 -17.151 -13.713 2.368 1.00 0.00 C ATOM 1148 CZ PHE A 74 -17.362 -14.602 3.399 1.00 0.00 C ATOM 0 H PHE A 74 -18.590 -8.108 4.594 1.00 0.00 H new ATOM 0 HA PHE A 74 -17.961 -10.415 6.088 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -19.234 -10.283 3.935 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -17.744 -9.883 3.104 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -18.433 -12.445 5.758 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -17.244 -11.681 1.739 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -17.984 -14.841 5.430 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -16.787 -14.067 1.415 1.00 0.00 H new ATOM 0 HZ PHE A 74 -17.169 -15.655 3.253 1.00 0.00 H new ATOM 1158 N LYS A 75 -15.442 -8.805 4.805 1.00 0.00 N ATOM 1159 CA LYS A 75 -13.994 -8.677 4.837 1.00 0.00 C ATOM 1160 C LYS A 75 -13.474 -8.808 6.265 1.00 0.00 C ATOM 1161 O LYS A 75 -12.440 -9.429 6.507 1.00 0.00 O ATOM 1162 CB LYS A 75 -13.578 -7.326 4.251 1.00 0.00 C ATOM 1163 CG LYS A 75 -13.825 -7.205 2.755 1.00 0.00 C ATOM 1164 CD LYS A 75 -13.548 -5.799 2.248 1.00 0.00 C ATOM 1165 CE LYS A 75 -13.506 -5.754 0.728 1.00 0.00 C ATOM 1166 NZ LYS A 75 -13.308 -4.370 0.209 1.00 0.00 N ATOM 0 H LYS A 75 -15.924 -7.998 4.409 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.561 -9.478 4.237 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.123 -6.534 4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.518 -7.165 4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.191 -7.914 2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.858 -7.474 2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.320 -5.121 2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.598 -5.446 2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.699 -6.393 0.370 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.435 -6.160 0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.630 -4.389 -0.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.217 -3.991 -0.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.939 -3.764 0.969 1.00 0.00 H new ATOM 1180 N GLN A 76 -14.222 -8.250 7.208 1.00 0.00 N ATOM 1181 CA GLN A 76 -13.830 -8.241 8.601 1.00 0.00 C ATOM 1182 C GLN A 76 -13.968 -9.631 9.208 1.00 0.00 C ATOM 1183 O GLN A 76 -13.202 -10.013 10.097 1.00 0.00 O ATOM 1184 CB GLN A 76 -14.684 -7.235 9.362 1.00 0.00 C ATOM 1185 CG GLN A 76 -14.431 -5.789 8.960 1.00 0.00 C ATOM 1186 CD GLN A 76 -15.276 -4.803 9.743 1.00 0.00 C ATOM 1187 OE1 GLN A 76 -16.454 -4.491 9.225 1.00 0.00 O flip ATOM 1188 NE2 GLN A 76 -14.871 -4.320 10.800 1.00 0.00 N flip ATOM 0 H GLN A 76 -15.115 -7.793 7.024 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.783 -7.947 8.674 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.736 -7.469 9.200 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -14.494 -7.345 10.430 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.377 -5.555 9.109 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -14.637 -5.672 7.896 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -13.957 -4.587 11.165 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -15.450 -3.653 11.311 1.00 0.00 H new ATOM 1197 N THR A 77 -14.942 -10.384 8.718 1.00 0.00 N ATOM 1198 CA THR A 77 -15.144 -11.753 9.158 1.00 0.00 C ATOM 1199 C THR A 77 -13.947 -12.622 8.778 1.00 0.00 C ATOM 1200 O THR A 77 -13.446 -13.409 9.584 1.00 0.00 O ATOM 1201 CB THR A 77 -16.415 -12.348 8.526 1.00 0.00 C ATOM 1202 OG1 THR A 77 -17.533 -11.488 8.780 1.00 0.00 O ATOM 1203 CG2 THR A 77 -16.698 -13.740 9.077 1.00 0.00 C ATOM 0 H THR A 77 -15.607 -10.066 8.012 1.00 0.00 H new ATOM 0 HA THR A 77 -15.253 -11.739 10.242 1.00 0.00 H new ATOM 0 HB THR A 77 -16.256 -12.431 7.451 1.00 0.00 H new ATOM 0 HG1 THR A 77 -18.339 -11.871 8.374 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.601 -14.138 8.614 1.00 0.00 H new ATOM 0 HG22 THR A 77 -15.857 -14.397 8.855 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.839 -13.682 10.156 1.00 0.00 H new ATOM 1211 N VAL A 78 -13.482 -12.453 7.549 1.00 0.00 N ATOM 1212 CA VAL A 78 -12.394 -13.260 7.019 1.00 0.00 C ATOM 1213 C VAL A 78 -11.072 -12.934 7.715 1.00 0.00 C ATOM 1214 O VAL A 78 -10.207 -13.804 7.852 1.00 0.00 O ATOM 1215 CB VAL A 78 -12.256 -13.071 5.495 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -11.173 -13.970 4.923 1.00 0.00 C ATOM 1217 CG2 VAL A 78 -13.584 -13.344 4.812 1.00 0.00 C ATOM 0 H VAL A 78 -13.845 -11.758 6.896 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.636 -14.304 7.217 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.965 -12.037 5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.101 -13.813 3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.217 -13.731 5.390 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.423 -15.012 5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.475 -13.207 3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.895 -14.368 5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.337 -12.653 5.191 1.00 0.00 H new ATOM 1227 N GLN A 79 -10.930 -11.689 8.175 1.00 0.00 N ATOM 1228 CA GLN A 79 -9.750 -11.272 8.921 1.00 0.00 C ATOM 1229 C GLN A 79 -9.505 -12.206 10.100 1.00 0.00 C ATOM 1230 O GLN A 79 -8.409 -12.741 10.269 1.00 0.00 O ATOM 1231 CB GLN A 79 -9.931 -9.850 9.443 1.00 0.00 C ATOM 1232 CG GLN A 79 -10.027 -8.787 8.363 1.00 0.00 C ATOM 1233 CD GLN A 79 -10.299 -7.412 8.947 1.00 0.00 C ATOM 1234 OE1 GLN A 79 -10.929 -7.288 10.000 1.00 0.00 O ATOM 1235 NE2 GLN A 79 -9.845 -6.370 8.272 1.00 0.00 N ATOM 0 H GLN A 79 -11.623 -10.953 8.041 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.894 -11.309 8.248 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -10.834 -9.813 10.052 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.094 -9.609 10.099 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.098 -8.763 7.794 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.822 -9.049 7.665 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.328 -6.511 7.404 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.012 -5.425 8.619 1.00 0.00 H new ATOM 1244 N GLY A 80 -10.544 -12.412 10.897 1.00 0.00 N ATOM 1245 CA GLY A 80 -10.423 -13.258 12.067 1.00 0.00 C ATOM 1246 C GLY A 80 -10.492 -14.727 11.714 1.00 0.00 C ATOM 1247 O GLY A 80 -9.966 -15.574 12.434 1.00 0.00 O ATOM 0 H GLY A 80 -11.470 -12.008 10.754 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.478 -13.050 12.569 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.218 -13.017 12.772 1.00 0.00 H new ATOM 1251 N ALA A 81 -11.126 -15.025 10.587 1.00 0.00 N ATOM 1252 CA ALA A 81 -11.303 -16.401 10.149 1.00 0.00 C ATOM 1253 C ALA A 81 -9.976 -17.028 9.732 1.00 0.00 C ATOM 1254 O ALA A 81 -9.625 -18.114 10.191 1.00 0.00 O ATOM 1255 CB ALA A 81 -12.303 -16.467 9.005 1.00 0.00 C ATOM 0 H ALA A 81 -11.527 -14.329 9.959 1.00 0.00 H new ATOM 0 HA ALA A 81 -11.691 -16.973 10.992 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.425 -17.503 8.688 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.263 -16.074 9.338 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.938 -15.872 8.168 1.00 0.00 H new ATOM 1261 N LEU A 82 -9.226 -16.331 8.885 1.00 0.00 N ATOM 1262 CA LEU A 82 -7.956 -16.852 8.388 1.00 0.00 C ATOM 1263 C LEU A 82 -6.841 -16.651 9.400 1.00 0.00 C ATOM 1264 O LEU A 82 -5.698 -17.056 9.180 1.00 0.00 O ATOM 1265 CB LEU A 82 -7.583 -16.196 7.058 1.00 0.00 C ATOM 1266 CG LEU A 82 -8.487 -16.557 5.877 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -8.084 -15.771 4.640 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -8.429 -18.051 5.595 1.00 0.00 C ATOM 0 H LEU A 82 -9.473 -15.408 8.529 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.082 -17.923 8.228 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.597 -15.114 7.188 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.559 -16.474 6.809 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.512 -16.294 6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.737 -16.040 3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.174 -14.704 4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.052 -16.005 4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.078 -18.288 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.405 -18.337 5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.762 -18.601 6.475 1.00 0.00 H new ATOM 1280 N SER A 83 -7.187 -16.043 10.513 1.00 0.00 N ATOM 1281 CA SER A 83 -6.230 -15.803 11.578 1.00 0.00 C ATOM 1282 C SER A 83 -6.219 -16.986 12.540 1.00 0.00 C ATOM 1283 O SER A 83 -5.306 -17.142 13.351 1.00 0.00 O ATOM 1284 CB SER A 83 -6.565 -14.505 12.319 1.00 0.00 C ATOM 1285 OG SER A 83 -5.556 -14.177 13.261 1.00 0.00 O ATOM 0 H SER A 83 -8.129 -15.703 10.708 1.00 0.00 H new ATOM 0 HA SER A 83 -5.236 -15.696 11.143 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.675 -13.692 11.602 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.522 -14.611 12.830 1.00 0.00 H new ATOM 0 HG SER A 83 -5.040 -14.981 13.481 1.00 0.00 H new ATOM 1291 N GLY A 84 -7.240 -17.824 12.433 1.00 0.00 N ATOM 1292 CA GLY A 84 -7.305 -19.017 13.244 1.00 0.00 C ATOM 1293 C GLY A 84 -6.921 -20.247 12.454 1.00 0.00 C ATOM 1294 O GLY A 84 -7.105 -21.378 12.909 1.00 0.00 O ATOM 0 H GLY A 84 -8.026 -17.696 11.796 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.640 -18.912 14.101 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.315 -19.136 13.637 1.00 0.00 H new ATOM 1298 N GLY A 85 -6.384 -20.026 11.265 1.00 0.00 N ATOM 1299 CA GLY A 85 -6.020 -21.123 10.401 1.00 0.00 C ATOM 1300 C GLY A 85 -6.955 -21.233 9.219 1.00 0.00 C ATOM 1301 O GLY A 85 -8.149 -20.967 9.336 1.00 0.00 O ATOM 0 H GLY A 85 -6.194 -19.100 10.883 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.999 -20.984 10.046 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.037 -22.054 10.967 1.00 0.00 H new ATOM 1305 N ILE A 86 -6.408 -21.612 8.080 1.00 0.00 N ATOM 1306 CA ILE A 86 -7.195 -21.748 6.864 1.00 0.00 C ATOM 1307 C ILE A 86 -7.859 -23.122 6.813 1.00 0.00 C ATOM 1308 O ILE A 86 -8.726 -23.384 5.984 1.00 0.00 O ATOM 1309 CB ILE A 86 -6.304 -21.544 5.619 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -7.155 -21.416 4.352 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -5.307 -22.691 5.488 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -6.359 -21.008 3.132 1.00 0.00 C ATOM 0 H ILE A 86 -5.418 -21.832 7.969 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.971 -20.982 6.868 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.748 -20.615 5.743 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.645 -22.369 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.943 -20.682 4.525 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.686 -22.534 4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.675 -22.727 6.375 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.847 -23.633 5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.024 -20.936 2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.890 -20.040 3.310 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.588 -21.753 2.934 1.00 0.00 H new ATOM 1324 N ASP A 87 -7.458 -23.990 7.731 1.00 0.00 N ATOM 1325 CA ASP A 87 -7.945 -25.362 7.745 1.00 0.00 C ATOM 1326 C ASP A 87 -9.379 -25.420 8.259 1.00 0.00 C ATOM 1327 O ASP A 87 -10.215 -26.150 7.724 1.00 0.00 O ATOM 1328 CB ASP A 87 -7.042 -26.238 8.613 1.00 0.00 C ATOM 1329 CG ASP A 87 -7.297 -27.712 8.390 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -8.155 -28.291 9.087 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -6.629 -28.301 7.515 1.00 0.00 O ATOM 0 H ASP A 87 -6.797 -23.769 8.476 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.927 -25.740 6.723 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.999 -26.013 8.392 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.205 -25.997 9.664 1.00 0.00 H new ATOM 1336 N GLY A 88 -9.665 -24.633 9.288 1.00 0.00 N ATOM 1337 CA GLY A 88 -11.003 -24.590 9.849 1.00 0.00 C ATOM 1338 C GLY A 88 -11.849 -23.496 9.233 1.00 0.00 C ATOM 1339 O GLY A 88 -12.894 -23.129 9.770 1.00 0.00 O ATOM 0 H GLY A 88 -8.991 -24.020 9.747 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.490 -25.553 9.695 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.938 -24.434 10.926 1.00 0.00 H new ATOM 1343 N PHE A 89 -11.395 -22.973 8.103 1.00 0.00 N ATOM 1344 CA PHE A 89 -12.119 -21.929 7.399 1.00 0.00 C ATOM 1345 C PHE A 89 -13.317 -22.530 6.675 1.00 0.00 C ATOM 1346 O PHE A 89 -13.168 -23.384 5.801 1.00 0.00 O ATOM 1347 CB PHE A 89 -11.191 -21.216 6.411 1.00 0.00 C ATOM 1348 CG PHE A 89 -11.809 -20.021 5.732 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -11.833 -18.786 6.361 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -12.355 -20.130 4.461 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -12.387 -17.683 5.736 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -12.911 -19.030 3.835 1.00 0.00 C ATOM 1353 CZ PHE A 89 -12.926 -17.806 4.473 1.00 0.00 C ATOM 0 H PHE A 89 -10.524 -23.257 7.654 1.00 0.00 H new ATOM 0 HA PHE A 89 -12.479 -21.195 8.120 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -10.294 -20.895 6.940 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.874 -21.928 5.649 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -11.414 -18.684 7.351 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -12.345 -21.084 3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.397 -16.726 6.237 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -13.334 -19.128 2.846 1.00 0.00 H new ATOM 0 HZ PHE A 89 -13.359 -16.946 3.984 1.00 0.00 H new ATOM 1363 N GLY A 90 -14.500 -22.093 7.063 1.00 0.00 N ATOM 1364 CA GLY A 90 -15.719 -22.588 6.461 1.00 0.00 C ATOM 1365 C GLY A 90 -16.921 -21.808 6.944 1.00 0.00 C ATOM 1366 O GLY A 90 -16.765 -20.721 7.500 1.00 0.00 O ATOM 0 H GLY A 90 -14.641 -21.395 7.794 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -15.647 -22.516 5.376 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.845 -23.643 6.703 1.00 0.00 H new ATOM 1370 N SER A 91 -18.111 -22.371 6.767 1.00 0.00 N ATOM 1371 CA SER A 91 -19.350 -21.700 7.149 1.00 0.00 C ATOM 1372 C SER A 91 -19.505 -21.639 8.670 1.00 0.00 C ATOM 1373 O SER A 91 -20.436 -21.023 9.188 1.00 0.00 O ATOM 1374 CB SER A 91 -20.550 -22.412 6.520 1.00 0.00 C ATOM 1375 OG SER A 91 -20.460 -22.412 5.105 1.00 0.00 O ATOM 0 H SER A 91 -18.245 -23.296 6.359 1.00 0.00 H new ATOM 0 HA SER A 91 -19.308 -20.676 6.777 1.00 0.00 H new ATOM 0 HB2 SER A 91 -20.600 -23.438 6.884 1.00 0.00 H new ATOM 0 HB3 SER A 91 -21.472 -21.919 6.829 1.00 0.00 H new ATOM 0 HG SER A 91 -21.238 -22.874 4.728 1.00 0.00 H new ATOM 1381 N ASN A 92 -18.594 -22.291 9.380 1.00 0.00 N ATOM 1382 CA ASN A 92 -18.542 -22.190 10.831 1.00 0.00 C ATOM 1383 C ASN A 92 -17.956 -20.844 11.221 1.00 0.00 C ATOM 1384 O ASN A 92 -18.296 -20.272 12.254 1.00 0.00 O ATOM 1385 CB ASN A 92 -17.666 -23.298 11.427 1.00 0.00 C ATOM 1386 CG ASN A 92 -18.101 -24.699 11.038 1.00 0.00 C ATOM 1387 OD1 ASN A 92 -19.280 -24.960 10.812 1.00 0.00 O ATOM 1388 ND2 ASN A 92 -17.145 -25.611 10.962 1.00 0.00 N ATOM 0 H ASN A 92 -17.880 -22.896 8.973 1.00 0.00 H new ATOM 0 HA ASN A 92 -19.556 -22.293 11.218 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.635 -23.145 11.106 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.678 -23.213 12.514 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -17.376 -26.572 10.708 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.178 -25.353 11.157 1.00 0.00 H new ATOM 1395 N ASN A 93 -17.081 -20.336 10.364 1.00 0.00 N ATOM 1396 CA ASN A 93 -16.348 -19.111 10.646 1.00 0.00 C ATOM 1397 C ASN A 93 -16.875 -17.954 9.817 1.00 0.00 C ATOM 1398 O ASN A 93 -17.264 -16.918 10.348 1.00 0.00 O ATOM 1399 CB ASN A 93 -14.855 -19.286 10.345 1.00 0.00 C ATOM 1400 CG ASN A 93 -14.138 -20.203 11.314 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -14.712 -21.152 11.850 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -12.867 -19.917 11.546 1.00 0.00 N ATOM 0 H ASN A 93 -16.861 -20.757 9.462 1.00 0.00 H new ATOM 0 HA ASN A 93 -16.487 -18.892 11.705 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.742 -19.680 9.335 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -14.374 -18.308 10.361 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -12.324 -20.492 12.190 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -12.430 -19.121 11.081 1.00 0.00 H new ATOM 1409 N ALA A 94 -16.888 -18.141 8.507 1.00 0.00 N ATOM 1410 CA ALA A 94 -17.219 -17.065 7.593 1.00 0.00 C ATOM 1411 C ALA A 94 -18.516 -17.342 6.855 1.00 0.00 C ATOM 1412 O ALA A 94 -18.616 -18.300 6.095 1.00 0.00 O ATOM 1413 CB ALA A 94 -16.084 -16.852 6.604 1.00 0.00 C ATOM 0 H ALA A 94 -16.673 -19.029 8.055 1.00 0.00 H new ATOM 0 HA ALA A 94 -17.358 -16.157 8.179 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -16.343 -16.042 5.922 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -15.174 -16.594 7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -15.921 -17.767 6.035 1.00 0.00 H new ATOM 1419 N VAL A 95 -19.503 -16.500 7.093 1.00 0.00 N ATOM 1420 CA VAL A 95 -20.778 -16.583 6.398 1.00 0.00 C ATOM 1421 C VAL A 95 -21.281 -15.190 6.070 1.00 0.00 C ATOM 1422 O VAL A 95 -20.990 -14.236 6.797 1.00 0.00 O ATOM 1423 CB VAL A 95 -21.858 -17.301 7.231 1.00 0.00 C ATOM 1424 CG1 VAL A 95 -21.673 -18.809 7.182 1.00 0.00 C ATOM 1425 CG2 VAL A 95 -21.849 -16.808 8.671 1.00 0.00 C ATOM 0 H VAL A 95 -19.447 -15.740 7.771 1.00 0.00 H new ATOM 0 HA VAL A 95 -20.602 -17.160 5.490 1.00 0.00 H new ATOM 0 HB VAL A 95 -22.828 -17.064 6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -22.448 -19.290 7.778 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.744 -19.151 6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.693 -19.069 7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -22.620 -17.329 9.239 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -20.874 -17.005 9.117 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -22.047 -15.736 8.690 1.00 0.00 H new ATOM 1435 N THR A 96 -22.013 -15.062 4.979 1.00 0.00 N ATOM 1436 CA THR A 96 -22.643 -13.799 4.650 1.00 0.00 C ATOM 1437 C THR A 96 -24.060 -13.728 5.209 1.00 0.00 C ATOM 1438 O THR A 96 -24.965 -14.428 4.748 1.00 0.00 O ATOM 1439 CB THR A 96 -22.677 -13.571 3.136 1.00 0.00 C ATOM 1440 OG1 THR A 96 -23.019 -14.793 2.472 1.00 0.00 O ATOM 1441 CG2 THR A 96 -21.333 -13.064 2.637 1.00 0.00 C ATOM 0 H THR A 96 -22.185 -15.812 4.310 1.00 0.00 H new ATOM 0 HA THR A 96 -22.043 -13.014 5.109 1.00 0.00 H new ATOM 0 HB THR A 96 -23.431 -12.816 2.914 1.00 0.00 H new ATOM 0 HG1 THR A 96 -22.994 -14.656 1.502 1.00 0.00 H new ATOM 0 HG21 THR A 96 -21.380 -12.909 1.559 1.00 0.00 H new ATOM 0 HG22 THR A 96 -21.094 -12.121 3.129 1.00 0.00 H new ATOM 0 HG23 THR A 96 -20.560 -13.798 2.865 1.00 0.00 H new ATOM 1449 N THR A 97 -24.250 -12.896 6.217 1.00 0.00 N ATOM 1450 CA THR A 97 -25.569 -12.682 6.784 1.00 0.00 C ATOM 1451 C THR A 97 -26.363 -11.673 5.954 1.00 0.00 C ATOM 1452 O THR A 97 -26.736 -10.599 6.427 1.00 0.00 O ATOM 1453 CB THR A 97 -25.476 -12.221 8.253 1.00 0.00 C ATOM 1454 OG1 THR A 97 -24.401 -11.282 8.407 1.00 0.00 O ATOM 1455 CG2 THR A 97 -25.256 -13.405 9.183 1.00 0.00 C ATOM 0 H THR A 97 -23.506 -12.357 6.660 1.00 0.00 H new ATOM 0 HA THR A 97 -26.097 -13.635 6.762 1.00 0.00 H new ATOM 0 HB THR A 97 -26.419 -11.742 8.518 1.00 0.00 H new ATOM 0 HG1 THR A 97 -24.350 -10.993 9.342 1.00 0.00 H new ATOM 0 HG21 THR A 97 -25.194 -13.052 10.213 1.00 0.00 H new ATOM 0 HG22 THR A 97 -26.088 -14.102 9.088 1.00 0.00 H new ATOM 0 HG23 THR A 97 -24.328 -13.910 8.916 1.00 0.00 H new ATOM 1463 N CYS A 98 -26.587 -12.023 4.695 1.00 0.00 N ATOM 1464 CA CYS A 98 -27.367 -11.191 3.789 1.00 0.00 C ATOM 1465 C CYS A 98 -28.693 -11.871 3.479 1.00 0.00 C ATOM 1466 O CYS A 98 -29.563 -11.304 2.818 1.00 0.00 O ATOM 1467 CB CYS A 98 -26.597 -10.959 2.484 1.00 0.00 C ATOM 1468 SG CYS A 98 -24.939 -10.232 2.699 1.00 0.00 S ATOM 0 H CYS A 98 -26.237 -12.884 4.275 1.00 0.00 H new ATOM 0 HA CYS A 98 -27.552 -10.230 4.269 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -26.497 -11.911 1.963 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -27.186 -10.304 1.842 1.00 0.00 H new