USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 639 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 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.476 X(o=-0.48,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.383 X(o=-0.38,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0573 USER MOD Single : A 36 THR OG1 : rot -38:sc= 0.619 USER MOD Single : A 37 HIS : no HD1:sc= -6.83! C(o=-6.8!,f=-8.2!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -53:sc= -0.58 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 74 TYR OH : rot 165:sc= -0.446 USER MOD Single : A 77 SER OG : rot 180:sc= -0.528 USER MOD Single : A 79 GLN : amide:sc= -4.73! K(o=-4.7!,f=-1.7) USER MOD Single : A 80 SER OG : rot 150:sc= -0.494 USER MOD Single : A 87 SER OG : rot 157:sc= 0.525 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.08 USER MOD Single : A 98 THR OG1 : rot 53:sc= 0.116 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 9 5.907 -18.301 -0.178 1.00 0.00 N ATOM 81 CA LEU A 9 5.903 -16.887 -0.535 1.00 0.00 C ATOM 82 C LEU A 9 5.310 -16.043 0.589 1.00 0.00 C ATOM 83 O LEU A 9 4.121 -15.723 0.597 1.00 0.00 O ATOM 84 CB LEU A 9 5.109 -16.668 -1.825 1.00 0.00 C ATOM 85 CG LEU A 9 5.540 -15.480 -2.685 1.00 0.00 C ATOM 86 CD1 LEU A 9 7.028 -15.553 -2.989 1.00 0.00 C ATOM 87 CD2 LEU A 9 4.732 -15.433 -3.973 1.00 0.00 C ATOM 0 HA LEU A 9 6.935 -16.575 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.179 -17.573 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.059 -16.540 -1.564 1.00 0.00 H new ATOM 0 HG LEU A 9 5.349 -14.564 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.316 -14.699 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.591 -15.537 -2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.245 -16.476 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.052 -14.581 -4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.891 -16.353 -4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.673 -15.331 -3.735 1.00 0.00 H new ATOM 99 N PRO A 10 6.157 -15.672 1.561 1.00 0.00 N ATOM 100 CA PRO A 10 5.740 -14.859 2.706 1.00 0.00 C ATOM 101 C PRO A 10 5.412 -13.423 2.309 1.00 0.00 C ATOM 102 O PRO A 10 6.284 -12.649 1.914 1.00 0.00 O ATOM 103 CB PRO A 10 6.961 -14.893 3.629 1.00 0.00 C ATOM 104 CG PRO A 10 8.115 -15.147 2.721 1.00 0.00 C ATOM 105 CD PRO A 10 7.587 -16.019 1.615 1.00 0.00 C ATOM 0 HA PRO A 10 4.829 -15.241 3.167 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.079 -13.951 4.165 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.868 -15.677 4.380 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.513 -14.213 2.325 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.929 -15.640 3.253 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.086 -15.814 0.668 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.736 -17.077 1.831 1.00 0.00 H new ATOM 113 N PRO A 11 4.126 -13.058 2.416 1.00 0.00 N ATOM 114 CA PRO A 11 3.655 -11.713 2.074 1.00 0.00 C ATOM 115 C PRO A 11 4.139 -10.659 3.064 1.00 0.00 C ATOM 116 O PRO A 11 4.684 -10.971 4.123 1.00 0.00 O ATOM 117 CB PRO A 11 2.131 -11.845 2.136 1.00 0.00 C ATOM 118 CG PRO A 11 1.887 -12.976 3.073 1.00 0.00 C ATOM 119 CD PRO A 11 3.034 -13.929 2.881 1.00 0.00 C ATOM 0 HA PRO A 11 4.030 -11.385 1.105 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.668 -10.926 2.496 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.711 -12.049 1.151 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.840 -12.625 4.104 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.936 -13.462 2.858 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.293 -14.438 3.809 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.797 -14.701 2.149 1.00 0.00 H new ATOM 127 N PRO A 12 3.935 -9.380 2.716 1.00 0.00 N ATOM 128 CA PRO A 12 4.343 -8.254 3.562 1.00 0.00 C ATOM 129 C PRO A 12 3.500 -8.145 4.827 1.00 0.00 C ATOM 130 O PRO A 12 2.273 -8.071 4.763 1.00 0.00 O ATOM 131 CB PRO A 12 4.118 -7.036 2.663 1.00 0.00 C ATOM 132 CG PRO A 12 3.067 -7.465 1.698 1.00 0.00 C ATOM 133 CD PRO A 12 3.291 -8.934 1.469 1.00 0.00 C ATOM 0 HA PRO A 12 5.370 -8.358 3.913 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.794 -6.171 3.242 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.035 -6.750 2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.070 -7.280 2.099 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.144 -6.908 0.764 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.353 -9.460 1.291 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.927 -9.113 0.602 1.00 0.00 H new ATOM 141 N ARG A 13 4.166 -8.137 5.977 1.00 0.00 N ATOM 142 CA ARG A 13 3.477 -8.038 7.259 1.00 0.00 C ATOM 143 C ARG A 13 3.897 -6.775 8.005 1.00 0.00 C ATOM 144 O ARG A 13 3.108 -6.189 8.746 1.00 0.00 O ATOM 145 CB ARG A 13 3.769 -9.271 8.115 1.00 0.00 C ATOM 146 CG ARG A 13 3.487 -9.065 9.595 1.00 0.00 C ATOM 147 CD ARG A 13 2.015 -8.781 9.847 1.00 0.00 C ATOM 148 NE ARG A 13 1.628 -9.081 11.223 1.00 0.00 N ATOM 149 CZ ARG A 13 1.809 -8.242 12.237 1.00 0.00 C ATOM 150 NH1 ARG A 13 2.368 -7.057 12.030 1.00 0.00 N ATOM 151 NH2 ARG A 13 1.430 -8.586 13.461 1.00 0.00 N ATOM 0 H ARG A 13 5.182 -8.198 6.048 1.00 0.00 H new ATOM 0 HA ARG A 13 2.406 -7.985 7.065 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.169 -10.105 7.752 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.815 -9.552 7.988 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.788 -9.953 10.151 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.088 -8.236 9.969 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.806 -7.733 9.632 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.409 -9.374 9.162 1.00 0.00 H new ATOM 0 HE ARG A 13 1.195 -9.984 11.416 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.660 -6.788 11.090 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.506 -6.415 12.810 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.999 -9.496 13.625 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.570 -7.941 14.238 1.00 0.00 H new ATOM 165 N ALA A 14 5.145 -6.363 7.806 1.00 0.00 N ATOM 166 CA ALA A 14 5.669 -5.170 8.459 1.00 0.00 C ATOM 167 C ALA A 14 5.182 -3.904 7.762 1.00 0.00 C ATOM 168 O ALA A 14 5.983 -3.092 7.298 1.00 0.00 O ATOM 169 CB ALA A 14 7.190 -5.208 8.486 1.00 0.00 C ATOM 0 H ALA A 14 5.812 -6.838 7.198 1.00 0.00 H new ATOM 0 HA ALA A 14 5.299 -5.155 9.484 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.568 -4.311 8.977 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.522 -6.089 9.035 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.571 -5.251 7.466 1.00 0.00 H new ATOM 175 N LEU A 15 3.865 -3.743 7.692 1.00 0.00 N ATOM 176 CA LEU A 15 3.271 -2.575 7.051 1.00 0.00 C ATOM 177 C LEU A 15 3.124 -1.425 8.042 1.00 0.00 C ATOM 178 O LEU A 15 2.419 -1.541 9.045 1.00 0.00 O ATOM 179 CB LEU A 15 1.906 -2.932 6.461 1.00 0.00 C ATOM 180 CG LEU A 15 1.925 -3.689 5.133 1.00 0.00 C ATOM 181 CD1 LEU A 15 1.986 -5.189 5.374 1.00 0.00 C ATOM 182 CD2 LEU A 15 0.706 -3.330 4.296 1.00 0.00 C ATOM 0 H LEU A 15 3.189 -4.406 8.071 1.00 0.00 H new ATOM 0 HA LEU A 15 3.935 -2.255 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.363 -3.533 7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.340 -2.011 6.323 1.00 0.00 H new ATOM 0 HG LEU A 15 2.818 -3.394 4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.999 -5.711 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.891 -5.431 5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.112 -5.501 5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.737 -3.878 3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.200 -3.595 4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.707 -2.259 4.092 1.00 0.00 H new ATOM 194 N THR A 16 3.794 -0.313 7.754 1.00 0.00 N ATOM 195 CA THR A 16 3.737 0.859 8.619 1.00 0.00 C ATOM 196 C THR A 16 3.671 2.143 7.801 1.00 0.00 C ATOM 197 O THR A 16 4.183 2.207 6.683 1.00 0.00 O ATOM 198 CB THR A 16 4.957 0.923 9.558 1.00 0.00 C ATOM 199 OG1 THR A 16 5.091 -0.310 10.272 1.00 0.00 O ATOM 200 CG2 THR A 16 4.821 2.074 10.544 1.00 0.00 C ATOM 0 H THR A 16 4.382 -0.200 6.928 1.00 0.00 H new ATOM 0 HA THR A 16 2.831 0.767 9.218 1.00 0.00 H new ATOM 0 HB THR A 16 5.847 1.089 8.951 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.869 -0.262 10.865 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.694 2.099 11.196 1.00 0.00 H new ATOM 0 HG22 THR A 16 4.749 3.014 9.998 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.923 1.934 11.145 1.00 0.00 H new ATOM 208 N LEU A 17 3.038 3.166 8.365 1.00 0.00 N ATOM 209 CA LEU A 17 2.906 4.452 7.688 1.00 0.00 C ATOM 210 C LEU A 17 4.135 5.322 7.927 1.00 0.00 C ATOM 211 O LEU A 17 4.309 5.885 9.007 1.00 0.00 O ATOM 212 CB LEU A 17 1.650 5.178 8.172 1.00 0.00 C ATOM 213 CG LEU A 17 0.985 6.115 7.162 1.00 0.00 C ATOM 214 CD1 LEU A 17 -0.017 5.354 6.308 1.00 0.00 C ATOM 215 CD2 LEU A 17 0.308 7.275 7.876 1.00 0.00 C ATOM 0 H LEU A 17 2.608 3.130 9.289 1.00 0.00 H new ATOM 0 HA LEU A 17 2.820 4.265 6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.919 4.431 8.480 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.908 5.757 9.059 1.00 0.00 H new ATOM 0 HG LEU A 17 1.757 6.519 6.507 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.480 6.036 5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.496 4.558 5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.786 4.921 6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.160 7.931 7.142 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.453 6.890 8.555 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.050 7.836 8.443 1.00 0.00 H new ATOM 227 N ALA A 18 4.984 5.430 6.910 1.00 0.00 N ATOM 228 CA ALA A 18 6.195 6.236 7.008 1.00 0.00 C ATOM 229 C ALA A 18 5.860 7.701 7.264 1.00 0.00 C ATOM 230 O ALA A 18 6.491 8.356 8.094 1.00 0.00 O ATOM 231 CB ALA A 18 7.026 6.096 5.741 1.00 0.00 C ATOM 0 H ALA A 18 4.856 4.970 6.009 1.00 0.00 H new ATOM 0 HA ALA A 18 6.778 5.871 7.854 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.927 6.703 5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.304 5.051 5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.443 6.433 4.884 1.00 0.00 H new ATOM 237 N ALA A 19 4.865 8.210 6.546 1.00 0.00 N ATOM 238 CA ALA A 19 4.445 9.598 6.697 1.00 0.00 C ATOM 239 C ALA A 19 2.986 9.778 6.293 1.00 0.00 C ATOM 240 O ALA A 19 2.435 8.972 5.543 1.00 0.00 O ATOM 241 CB ALA A 19 5.340 10.512 5.872 1.00 0.00 C ATOM 0 H ALA A 19 4.334 7.682 5.853 1.00 0.00 H new ATOM 0 HA ALA A 19 4.539 9.868 7.749 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.016 11.545 5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.371 10.413 6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.275 10.233 4.820 1.00 0.00 H new ATOM 247 N VAL A 20 2.364 10.839 6.796 1.00 0.00 N ATOM 248 CA VAL A 20 0.968 11.125 6.488 1.00 0.00 C ATOM 249 C VAL A 20 0.803 12.540 5.944 1.00 0.00 C ATOM 250 O VAL A 20 0.951 13.519 6.676 1.00 0.00 O ATOM 251 CB VAL A 20 0.073 10.956 7.730 1.00 0.00 C ATOM 252 CG1 VAL A 20 0.547 11.861 8.856 1.00 0.00 C ATOM 253 CG2 VAL A 20 -1.380 11.241 7.381 1.00 0.00 C ATOM 0 H VAL A 20 2.805 11.515 7.419 1.00 0.00 H new ATOM 0 HA VAL A 20 0.659 10.409 5.727 1.00 0.00 H new ATOM 0 HB VAL A 20 0.145 9.923 8.072 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.097 11.728 9.725 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.573 11.605 9.122 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.506 12.900 8.529 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.999 11.117 8.270 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.472 12.263 7.014 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.711 10.547 6.608 1.00 0.00 H new ATOM 263 N THR A 21 0.496 12.641 4.655 1.00 0.00 N ATOM 264 CA THR A 21 0.312 13.936 4.012 1.00 0.00 C ATOM 265 C THR A 21 -1.079 14.052 3.398 1.00 0.00 C ATOM 266 O THR A 21 -1.583 13.125 2.764 1.00 0.00 O ATOM 267 CB THR A 21 1.367 14.174 2.916 1.00 0.00 C ATOM 268 OG1 THR A 21 2.621 13.608 3.312 1.00 0.00 O ATOM 269 CG2 THR A 21 1.538 15.661 2.643 1.00 0.00 C ATOM 0 H THR A 21 0.369 11.841 4.035 1.00 0.00 H new ATOM 0 HA THR A 21 0.428 14.693 4.787 1.00 0.00 H new ATOM 0 HB THR A 21 1.024 13.691 2.001 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.286 13.762 2.609 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.288 15.804 1.865 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.588 16.082 2.313 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.860 16.164 3.555 1.00 0.00 H new ATOM 277 N PRO A 22 -1.715 15.217 3.587 1.00 0.00 N ATOM 278 CA PRO A 22 -3.056 15.483 3.058 1.00 0.00 C ATOM 279 C PRO A 22 -3.064 15.613 1.538 1.00 0.00 C ATOM 280 O PRO A 22 -4.104 15.875 0.934 1.00 0.00 O ATOM 281 CB PRO A 22 -3.438 16.813 3.711 1.00 0.00 C ATOM 282 CG PRO A 22 -2.138 17.475 4.012 1.00 0.00 C ATOM 283 CD PRO A 22 -1.174 16.366 4.332 1.00 0.00 C ATOM 0 HA PRO A 22 -3.749 14.671 3.277 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.047 17.422 3.042 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.021 16.655 4.618 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.791 18.060 3.160 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.235 18.162 4.852 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.161 16.610 4.013 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.132 16.167 5.403 1.00 0.00 H new ATOM 291 N ARG A 23 -1.898 15.427 0.927 1.00 0.00 N ATOM 292 CA ARG A 23 -1.772 15.525 -0.522 1.00 0.00 C ATOM 293 C ARG A 23 -1.243 14.220 -1.111 1.00 0.00 C ATOM 294 O ARG A 23 -1.602 13.838 -2.225 1.00 0.00 O ATOM 295 CB ARG A 23 -0.842 16.680 -0.897 1.00 0.00 C ATOM 296 CG ARG A 23 -0.958 17.881 0.027 1.00 0.00 C ATOM 297 CD ARG A 23 0.203 18.845 -0.163 1.00 0.00 C ATOM 298 NE ARG A 23 0.324 19.782 0.950 1.00 0.00 N ATOM 299 CZ ARG A 23 1.043 20.898 0.897 1.00 0.00 C ATOM 300 NH1 ARG A 23 1.702 21.213 -0.209 1.00 0.00 N ATOM 301 NH2 ARG A 23 1.104 21.700 1.952 1.00 0.00 N ATOM 0 H ARG A 23 -1.028 15.208 1.413 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.762 15.716 -0.936 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.188 16.323 -0.888 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.061 16.995 -1.917 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.898 18.399 -0.165 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.986 17.543 1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.130 18.281 -0.264 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.065 19.400 -1.091 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.171 19.568 1.816 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.658 20.598 -1.022 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.253 22.070 -0.247 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.599 21.460 2.805 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.656 22.557 1.910 1.00 0.00 H new ATOM 315 N THR A 24 -0.387 13.540 -0.355 1.00 0.00 N ATOM 316 CA THR A 24 0.192 12.279 -0.802 1.00 0.00 C ATOM 317 C THR A 24 0.285 11.280 0.346 1.00 0.00 C ATOM 318 O THR A 24 0.265 11.659 1.516 1.00 0.00 O ATOM 319 CB THR A 24 1.596 12.487 -1.401 1.00 0.00 C ATOM 320 OG1 THR A 24 2.548 12.705 -0.354 1.00 0.00 O ATOM 321 CG2 THR A 24 1.606 13.671 -2.357 1.00 0.00 C ATOM 0 H THR A 24 -0.079 13.841 0.570 1.00 0.00 H new ATOM 0 HA THR A 24 -0.469 11.883 -1.573 1.00 0.00 H new ATOM 0 HB THR A 24 1.867 11.589 -1.956 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.438 12.835 -0.743 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.608 13.799 -2.768 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.902 13.489 -3.169 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.316 14.574 -1.820 1.00 0.00 H new ATOM 329 N VAL A 25 0.387 9.999 0.002 1.00 0.00 N ATOM 330 CA VAL A 25 0.485 8.945 1.004 1.00 0.00 C ATOM 331 C VAL A 25 1.728 8.090 0.782 1.00 0.00 C ATOM 332 O VAL A 25 1.946 7.564 -0.310 1.00 0.00 O ATOM 333 CB VAL A 25 -0.759 8.037 0.986 1.00 0.00 C ATOM 334 CG1 VAL A 25 -0.479 6.733 1.718 1.00 0.00 C ATOM 335 CG2 VAL A 25 -1.952 8.756 1.599 1.00 0.00 C ATOM 0 H VAL A 25 0.404 9.667 -0.962 1.00 0.00 H new ATOM 0 HA VAL A 25 0.554 9.436 1.975 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.999 7.800 -0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.369 6.104 1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.346 6.212 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.213 6.947 2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.822 8.100 1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.724 9.024 2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.165 9.660 1.028 1.00 0.00 H new ATOM 345 N HIS A 26 2.540 7.954 1.826 1.00 0.00 N ATOM 346 CA HIS A 26 3.762 7.162 1.746 1.00 0.00 C ATOM 347 C HIS A 26 3.662 5.920 2.626 1.00 0.00 C ATOM 348 O HIS A 26 3.373 6.014 3.820 1.00 0.00 O ATOM 349 CB HIS A 26 4.968 8.002 2.164 1.00 0.00 C ATOM 350 CG HIS A 26 6.274 7.464 1.666 1.00 0.00 C ATOM 351 ND1 HIS A 26 7.431 8.214 1.625 1.00 0.00 N ATOM 352 CD2 HIS A 26 6.604 6.241 1.188 1.00 0.00 C ATOM 353 CE1 HIS A 26 8.414 7.476 1.141 1.00 0.00 C ATOM 354 NE2 HIS A 26 7.939 6.274 0.869 1.00 0.00 N ATOM 0 H HIS A 26 2.374 8.382 2.737 1.00 0.00 H new ATOM 0 HA HIS A 26 3.892 6.844 0.712 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.838 9.019 1.793 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.000 8.061 3.252 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.940 5.396 1.078 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.433 7.801 0.993 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.476 5.497 0.485 1.00 0.00 H new ATOM 363 N LEU A 27 3.903 4.757 2.030 1.00 0.00 N ATOM 364 CA LEU A 27 3.839 3.496 2.760 1.00 0.00 C ATOM 365 C LEU A 27 5.134 2.706 2.596 1.00 0.00 C ATOM 366 O LEU A 27 5.874 2.898 1.630 1.00 0.00 O ATOM 367 CB LEU A 27 2.654 2.660 2.273 1.00 0.00 C ATOM 368 CG LEU A 27 2.059 1.683 3.287 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.703 2.404 4.578 1.00 0.00 C ATOM 370 CD2 LEU A 27 0.836 0.990 2.706 1.00 0.00 C ATOM 0 H LEU A 27 4.144 4.661 1.044 1.00 0.00 H new ATOM 0 HA LEU A 27 3.704 3.724 3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.866 3.339 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.970 2.095 1.396 1.00 0.00 H new ATOM 0 HG LEU A 27 2.808 0.924 3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.281 1.692 5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.601 2.852 5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.972 3.185 4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.426 0.298 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.083 1.735 2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.121 0.439 1.810 1.00 0.00 H new ATOM 382 N THR A 28 5.403 1.815 3.546 1.00 0.00 N ATOM 383 CA THR A 28 6.607 0.996 3.507 1.00 0.00 C ATOM 384 C THR A 28 6.386 -0.341 4.206 1.00 0.00 C ATOM 385 O THR A 28 5.785 -0.398 5.279 1.00 0.00 O ATOM 386 CB THR A 28 7.798 1.716 4.167 1.00 0.00 C ATOM 387 OG1 THR A 28 7.491 2.022 5.531 1.00 0.00 O ATOM 388 CG2 THR A 28 8.138 2.997 3.418 1.00 0.00 C ATOM 0 H THR A 28 4.802 1.643 4.352 1.00 0.00 H new ATOM 0 HA THR A 28 6.835 0.820 2.456 1.00 0.00 H new ATOM 0 HB THR A 28 8.662 1.052 4.130 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.254 2.478 5.944 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.982 3.488 3.902 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.400 2.757 2.387 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.276 3.664 3.427 1.00 0.00 H new ATOM 396 N TRP A 29 6.875 -1.412 3.592 1.00 0.00 N ATOM 397 CA TRP A 29 6.730 -2.749 4.157 1.00 0.00 C ATOM 398 C TRP A 29 7.990 -3.576 3.926 1.00 0.00 C ATOM 399 O TRP A 29 8.966 -3.090 3.357 1.00 0.00 O ATOM 400 CB TRP A 29 5.521 -3.456 3.544 1.00 0.00 C ATOM 401 CG TRP A 29 5.592 -3.567 2.051 1.00 0.00 C ATOM 402 CD1 TRP A 29 6.320 -4.469 1.329 1.00 0.00 C ATOM 403 CD2 TRP A 29 4.909 -2.745 1.097 1.00 0.00 C ATOM 404 NE1 TRP A 29 6.132 -4.257 -0.015 1.00 0.00 N ATOM 405 CE2 TRP A 29 5.270 -3.206 -0.184 1.00 0.00 C ATOM 406 CE3 TRP A 29 4.026 -1.667 1.201 1.00 0.00 C ATOM 407 CZ2 TRP A 29 4.779 -2.624 -1.350 1.00 0.00 C ATOM 408 CZ3 TRP A 29 3.541 -1.090 0.043 1.00 0.00 C ATOM 409 CH2 TRP A 29 3.917 -1.570 -1.218 1.00 0.00 C ATOM 0 H TRP A 29 7.375 -1.381 2.704 1.00 0.00 H new ATOM 0 HA TRP A 29 6.576 -2.648 5.231 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.438 -4.455 3.972 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.615 -2.915 3.818 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.951 -5.236 1.753 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.564 -4.795 -0.766 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.728 -1.292 2.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.068 -2.992 -2.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.860 -0.254 0.111 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.518 -1.098 -2.104 1.00 0.00 H new ATOM 420 N GLN A 30 7.960 -4.828 4.372 1.00 0.00 N ATOM 421 CA GLN A 30 9.101 -5.722 4.213 1.00 0.00 C ATOM 422 C GLN A 30 8.957 -6.571 2.954 1.00 0.00 C ATOM 423 O GLN A 30 7.871 -7.038 2.613 1.00 0.00 O ATOM 424 CB GLN A 30 9.242 -6.626 5.439 1.00 0.00 C ATOM 425 CG GLN A 30 10.126 -6.041 6.528 1.00 0.00 C ATOM 426 CD GLN A 30 10.634 -7.093 7.496 1.00 0.00 C ATOM 427 OE1 GLN A 30 11.452 -7.940 7.137 1.00 0.00 O ATOM 428 NE2 GLN A 30 10.149 -7.044 8.731 1.00 0.00 N ATOM 0 H GLN A 30 7.159 -5.246 4.846 1.00 0.00 H new ATOM 0 HA GLN A 30 9.998 -5.111 4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.252 -6.821 5.852 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.652 -7.586 5.127 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.975 -5.535 6.069 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.565 -5.286 7.079 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.472 -6.324 8.985 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.453 -7.726 9.426 1.00 0.00 H new ATOM 437 N PRO A 31 10.078 -6.775 2.246 1.00 0.00 N ATOM 438 CA PRO A 31 10.102 -7.569 1.014 1.00 0.00 C ATOM 439 C PRO A 31 9.880 -9.054 1.277 1.00 0.00 C ATOM 440 O PRO A 31 9.741 -9.478 2.424 1.00 0.00 O ATOM 441 CB PRO A 31 11.510 -7.328 0.464 1.00 0.00 C ATOM 442 CG PRO A 31 12.329 -6.982 1.659 1.00 0.00 C ATOM 443 CD PRO A 31 11.408 -6.248 2.595 1.00 0.00 C ATOM 0 HA PRO A 31 9.306 -7.280 0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.896 -8.215 -0.037 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.516 -6.520 -0.268 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.730 -7.879 2.130 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.180 -6.360 1.382 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.656 -6.443 3.638 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.464 -5.169 2.450 1.00 0.00 H new ATOM 451 N SER A 32 9.848 -9.842 0.206 1.00 0.00 N ATOM 452 CA SER A 32 9.639 -11.280 0.321 1.00 0.00 C ATOM 453 C SER A 32 10.795 -12.049 -0.312 1.00 0.00 C ATOM 454 O SER A 32 11.494 -11.534 -1.184 1.00 0.00 O ATOM 455 CB SER A 32 8.321 -11.680 -0.343 1.00 0.00 C ATOM 456 OG SER A 32 8.355 -13.031 -0.773 1.00 0.00 O ATOM 0 H SER A 32 9.964 -9.508 -0.751 1.00 0.00 H new ATOM 0 HA SER A 32 9.594 -11.532 1.380 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.499 -11.539 0.359 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.127 -11.029 -1.195 1.00 0.00 H new ATOM 0 HG SER A 32 7.500 -13.262 -1.193 1.00 0.00 H new ATOM 462 N ALA A 33 10.990 -13.285 0.135 1.00 0.00 N ATOM 463 CA ALA A 33 12.059 -14.127 -0.388 1.00 0.00 C ATOM 464 C ALA A 33 11.680 -14.718 -1.742 1.00 0.00 C ATOM 465 O ALA A 33 10.844 -15.617 -1.825 1.00 0.00 O ATOM 466 CB ALA A 33 12.389 -15.236 0.600 1.00 0.00 C ATOM 0 H ALA A 33 10.422 -13.726 0.858 1.00 0.00 H new ATOM 0 HA ALA A 33 12.943 -13.504 -0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.189 -15.857 0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.711 -14.798 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.504 -15.849 0.768 1.00 0.00 H new ATOM 472 N GLY A 34 12.300 -14.207 -2.801 1.00 0.00 N ATOM 473 CA GLY A 34 12.013 -14.696 -4.136 1.00 0.00 C ATOM 474 C GLY A 34 11.168 -13.728 -4.940 1.00 0.00 C ATOM 475 O GLY A 34 11.373 -13.563 -6.142 1.00 0.00 O ATOM 0 H GLY A 34 12.996 -13.463 -2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.950 -14.878 -4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.496 -15.653 -4.065 1.00 0.00 H new ATOM 479 N ALA A 35 10.212 -13.086 -4.274 1.00 0.00 N ATOM 480 CA ALA A 35 9.333 -12.129 -4.934 1.00 0.00 C ATOM 481 C ALA A 35 10.135 -11.092 -5.712 1.00 0.00 C ATOM 482 O ALA A 35 10.876 -10.299 -5.129 1.00 0.00 O ATOM 483 CB ALA A 35 8.434 -11.447 -3.913 1.00 0.00 C ATOM 0 H ALA A 35 10.027 -13.212 -3.279 1.00 0.00 H new ATOM 0 HA ALA A 35 8.710 -12.674 -5.643 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.783 -10.735 -4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.827 -12.196 -3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.048 -10.921 -3.182 1.00 0.00 H new ATOM 489 N THR A 36 9.984 -11.102 -7.033 1.00 0.00 N ATOM 490 CA THR A 36 10.696 -10.163 -7.890 1.00 0.00 C ATOM 491 C THR A 36 9.840 -8.939 -8.196 1.00 0.00 C ATOM 492 O THR A 36 10.303 -7.987 -8.825 1.00 0.00 O ATOM 493 CB THR A 36 11.119 -10.824 -9.216 1.00 0.00 C ATOM 494 OG1 THR A 36 11.819 -9.878 -10.033 1.00 0.00 O ATOM 495 CG2 THR A 36 9.908 -11.353 -9.968 1.00 0.00 C ATOM 0 H THR A 36 9.375 -11.750 -7.532 1.00 0.00 H new ATOM 0 HA THR A 36 11.588 -9.852 -7.346 1.00 0.00 H new ATOM 0 HB THR A 36 11.777 -11.662 -8.985 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.405 -8.995 -9.938 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.232 -11.815 -10.901 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.394 -12.094 -9.355 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.228 -10.530 -10.188 1.00 0.00 H new ATOM 503 N HIS A 37 8.590 -8.970 -7.746 1.00 0.00 N ATOM 504 CA HIS A 37 7.669 -7.862 -7.971 1.00 0.00 C ATOM 505 C HIS A 37 6.511 -7.908 -6.978 1.00 0.00 C ATOM 506 O HIS A 37 6.188 -8.964 -6.434 1.00 0.00 O ATOM 507 CB HIS A 37 7.132 -7.899 -9.402 1.00 0.00 C ATOM 508 CG HIS A 37 6.369 -9.147 -9.722 1.00 0.00 C ATOM 509 ND1 HIS A 37 6.861 -10.413 -9.483 1.00 0.00 N ATOM 510 CD2 HIS A 37 5.141 -9.319 -10.265 1.00 0.00 C ATOM 511 CE1 HIS A 37 5.970 -11.309 -9.867 1.00 0.00 C ATOM 512 NE2 HIS A 37 4.917 -10.672 -10.345 1.00 0.00 N ATOM 0 H HIS A 37 8.192 -9.750 -7.223 1.00 0.00 H new ATOM 0 HA HIS A 37 8.216 -6.931 -7.821 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.485 -7.036 -9.561 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.966 -7.804 -10.097 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.464 -8.538 -10.577 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.083 -12.381 -9.801 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.074 -11.113 -10.714 1.00 0.00 H new ATOM 521 N TYR A 38 5.890 -6.757 -6.748 1.00 0.00 N ATOM 522 CA TYR A 38 4.770 -6.665 -5.819 1.00 0.00 C ATOM 523 C TYR A 38 3.607 -5.898 -6.441 1.00 0.00 C ATOM 524 O TYR A 38 3.790 -4.815 -6.999 1.00 0.00 O ATOM 525 CB TYR A 38 5.210 -5.984 -4.522 1.00 0.00 C ATOM 526 CG TYR A 38 6.665 -6.212 -4.181 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.181 -7.498 -4.079 1.00 0.00 C ATOM 528 CD2 TYR A 38 7.524 -5.142 -3.961 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.510 -7.712 -3.768 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.854 -5.347 -3.650 1.00 0.00 C ATOM 531 CZ TYR A 38 9.343 -6.633 -3.555 1.00 0.00 C ATOM 532 OH TYR A 38 10.667 -6.841 -3.244 1.00 0.00 O ATOM 0 H TYR A 38 6.143 -5.874 -7.192 1.00 0.00 H new ATOM 0 HA TYR A 38 4.434 -7.677 -5.594 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.029 -4.912 -4.605 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.592 -6.349 -3.702 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.532 -8.345 -4.246 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.145 -4.133 -4.034 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.895 -8.718 -3.692 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.508 -4.504 -3.482 1.00 0.00 H new ATOM 0 HH TYR A 38 11.115 -5.977 -3.127 1.00 0.00 H new ATOM 542 N LEU A 39 2.410 -6.466 -6.339 1.00 0.00 N ATOM 543 CA LEU A 39 1.216 -5.836 -6.891 1.00 0.00 C ATOM 544 C LEU A 39 0.528 -4.964 -5.845 1.00 0.00 C ATOM 545 O LEU A 39 0.224 -5.420 -4.743 1.00 0.00 O ATOM 546 CB LEU A 39 0.244 -6.901 -7.402 1.00 0.00 C ATOM 547 CG LEU A 39 -0.894 -6.400 -8.292 1.00 0.00 C ATOM 548 CD1 LEU A 39 -1.899 -5.602 -7.476 1.00 0.00 C ATOM 549 CD2 LEU A 39 -0.345 -5.558 -9.435 1.00 0.00 C ATOM 0 H LEU A 39 2.241 -7.361 -5.880 1.00 0.00 H new ATOM 0 HA LEU A 39 1.521 -5.202 -7.723 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.813 -7.646 -7.959 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.191 -7.410 -6.542 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.406 -7.264 -8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.701 -5.254 -8.127 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.316 -6.235 -6.692 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.401 -4.745 -7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.168 -5.210 -10.058 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.191 -4.700 -9.030 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.336 -6.161 -10.036 1.00 0.00 H new ATOM 561 N VAL A 40 0.284 -3.706 -6.200 1.00 0.00 N ATOM 562 CA VAL A 40 -0.371 -2.770 -5.294 1.00 0.00 C ATOM 563 C VAL A 40 -1.672 -2.246 -5.891 1.00 0.00 C ATOM 564 O VAL A 40 -1.715 -1.838 -7.052 1.00 0.00 O ATOM 565 CB VAL A 40 0.545 -1.577 -4.961 1.00 0.00 C ATOM 566 CG1 VAL A 40 -0.263 -0.432 -4.370 1.00 0.00 C ATOM 567 CG2 VAL A 40 1.653 -2.005 -4.011 1.00 0.00 C ATOM 0 H VAL A 40 0.530 -3.312 -7.108 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.590 -3.318 -4.377 1.00 0.00 H new ATOM 0 HB VAL A 40 1.005 -1.226 -5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.401 0.402 -4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.016 -0.109 -5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.754 -0.767 -3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.290 -1.150 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.215 -2.383 -3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.249 -2.789 -4.477 1.00 0.00 H new ATOM 577 N ARG A 41 -2.733 -2.261 -5.090 1.00 0.00 N ATOM 578 CA ARG A 41 -4.036 -1.788 -5.539 1.00 0.00 C ATOM 579 C ARG A 41 -4.554 -0.676 -4.632 1.00 0.00 C ATOM 580 O ARG A 41 -4.589 -0.824 -3.410 1.00 0.00 O ATOM 581 CB ARG A 41 -5.039 -2.944 -5.569 1.00 0.00 C ATOM 582 CG ARG A 41 -4.793 -3.934 -6.696 1.00 0.00 C ATOM 583 CD ARG A 41 -5.320 -5.317 -6.347 1.00 0.00 C ATOM 584 NE ARG A 41 -6.779 -5.371 -6.382 1.00 0.00 N ATOM 585 CZ ARG A 41 -7.497 -6.278 -5.728 1.00 0.00 C ATOM 586 NH1 ARG A 41 -6.894 -7.201 -4.992 1.00 0.00 N ATOM 587 NH2 ARG A 41 -8.821 -6.262 -5.809 1.00 0.00 N ATOM 0 H ARG A 41 -2.715 -2.596 -4.127 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.921 -1.388 -6.546 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.000 -3.473 -4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.046 -2.538 -5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.276 -3.578 -7.606 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.725 -3.992 -6.904 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.913 -6.047 -7.047 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.970 -5.598 -5.354 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.274 -4.674 -6.939 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.876 -7.216 -4.927 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.448 -7.896 -4.491 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.289 -5.553 -6.374 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.371 -6.959 -5.307 1.00 0.00 H new ATOM 601 N CYS A 42 -4.953 0.437 -5.238 1.00 0.00 N ATOM 602 CA CYS A 42 -5.467 1.575 -4.485 1.00 0.00 C ATOM 603 C CYS A 42 -6.973 1.721 -4.680 1.00 0.00 C ATOM 604 O CYS A 42 -7.448 1.926 -5.797 1.00 0.00 O ATOM 605 CB CYS A 42 -4.759 2.860 -4.916 1.00 0.00 C ATOM 606 SG CYS A 42 -5.312 4.339 -4.036 1.00 0.00 S ATOM 0 H CYS A 42 -4.930 0.575 -6.248 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.271 1.397 -3.428 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.686 2.740 -4.764 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.915 3.007 -5.985 1.00 0.00 H new ATOM 0 HG CYS A 42 -6.606 4.434 -4.117 1.00 0.00 H new ATOM 612 N SER A 43 -7.719 1.611 -3.585 1.00 0.00 N ATOM 613 CA SER A 43 -9.172 1.725 -3.636 1.00 0.00 C ATOM 614 C SER A 43 -9.711 2.376 -2.366 1.00 0.00 C ATOM 615 O SER A 43 -9.182 2.190 -1.270 1.00 0.00 O ATOM 616 CB SER A 43 -9.806 0.345 -3.824 1.00 0.00 C ATOM 617 OG SER A 43 -9.386 -0.248 -5.041 1.00 0.00 O ATOM 0 H SER A 43 -7.341 1.443 -2.652 1.00 0.00 H new ATOM 0 HA SER A 43 -9.433 2.356 -4.486 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.534 -0.300 -2.989 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.892 0.436 -3.816 1.00 0.00 H new ATOM 0 HG SER A 43 -9.804 -1.129 -5.137 1.00 0.00 H new ATOM 623 N PRO A 44 -10.789 3.160 -2.516 1.00 0.00 N ATOM 624 CA PRO A 44 -11.425 3.855 -1.393 1.00 0.00 C ATOM 625 C PRO A 44 -12.132 2.895 -0.443 1.00 0.00 C ATOM 626 O PRO A 44 -12.687 1.883 -0.868 1.00 0.00 O ATOM 627 CB PRO A 44 -12.438 4.777 -2.074 1.00 0.00 C ATOM 628 CG PRO A 44 -12.742 4.113 -3.373 1.00 0.00 C ATOM 629 CD PRO A 44 -11.472 3.427 -3.793 1.00 0.00 C ATOM 0 HA PRO A 44 -10.698 4.382 -0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.337 4.893 -1.469 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.026 5.774 -2.226 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.556 3.396 -3.264 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.057 4.842 -4.120 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.675 2.506 -4.340 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.871 4.060 -4.446 1.00 0.00 H new ATOM 637 N ALA A 45 -12.109 3.221 0.846 1.00 0.00 N ATOM 638 CA ALA A 45 -12.751 2.389 1.856 1.00 0.00 C ATOM 639 C ALA A 45 -14.266 2.567 1.833 1.00 0.00 C ATOM 640 O ALA A 45 -15.006 1.743 2.370 1.00 0.00 O ATOM 641 CB ALA A 45 -12.200 2.714 3.236 1.00 0.00 C ATOM 0 H ALA A 45 -11.653 4.055 1.215 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.531 1.347 1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.689 2.085 3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.126 2.528 3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.390 3.762 3.466 1.00 0.00 H new ATOM 761 N ARG A 54 -7.708 0.799 -8.874 1.00 0.00 N ATOM 762 CA ARG A 54 -6.437 1.086 -9.529 1.00 0.00 C ATOM 763 C ARG A 54 -5.390 0.035 -9.169 1.00 0.00 C ATOM 764 O ARG A 54 -5.160 -0.248 -7.994 1.00 0.00 O ATOM 765 CB ARG A 54 -5.937 2.476 -9.131 1.00 0.00 C ATOM 766 CG ARG A 54 -4.779 2.973 -9.982 1.00 0.00 C ATOM 767 CD ARG A 54 -5.247 3.399 -11.365 1.00 0.00 C ATOM 768 NE ARG A 54 -5.673 4.796 -11.392 1.00 0.00 N ATOM 769 CZ ARG A 54 -4.835 5.818 -11.522 1.00 0.00 C ATOM 770 NH1 ARG A 54 -3.532 5.600 -11.637 1.00 0.00 N ATOM 771 NH2 ARG A 54 -5.299 7.061 -11.538 1.00 0.00 N ATOM 0 HA ARG A 54 -6.598 1.059 -10.607 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.762 3.185 -9.205 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.627 2.456 -8.086 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.296 3.814 -9.485 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.031 2.186 -10.076 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.439 3.252 -12.082 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.073 2.762 -11.680 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.669 4.998 -11.306 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.172 4.646 -11.626 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.890 6.386 -11.737 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.301 7.233 -11.450 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.654 7.845 -11.638 1.00 0.00 H new ATOM 785 N GLU A 55 -4.761 -0.539 -10.190 1.00 0.00 N ATOM 786 CA GLU A 55 -3.740 -1.559 -9.980 1.00 0.00 C ATOM 787 C GLU A 55 -2.410 -1.133 -10.595 1.00 0.00 C ATOM 788 O GLU A 55 -2.363 -0.651 -11.727 1.00 0.00 O ATOM 789 CB GLU A 55 -4.189 -2.892 -10.582 1.00 0.00 C ATOM 790 CG GLU A 55 -3.036 -3.786 -11.009 1.00 0.00 C ATOM 791 CD GLU A 55 -3.455 -5.232 -11.190 1.00 0.00 C ATOM 792 OE1 GLU A 55 -4.216 -5.739 -10.339 1.00 0.00 O ATOM 793 OE2 GLU A 55 -3.023 -5.856 -12.181 1.00 0.00 O ATOM 0 H GLU A 55 -4.940 -0.316 -11.169 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.601 -1.682 -8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.799 -3.424 -9.852 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.824 -2.695 -11.445 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.619 -3.413 -11.944 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.244 -3.732 -10.263 1.00 0.00 H new ATOM 800 N VAL A 56 -1.331 -1.312 -9.840 1.00 0.00 N ATOM 801 CA VAL A 56 0.000 -0.947 -10.310 1.00 0.00 C ATOM 802 C VAL A 56 1.065 -1.854 -9.703 1.00 0.00 C ATOM 803 O VAL A 56 0.842 -2.483 -8.670 1.00 0.00 O ATOM 804 CB VAL A 56 0.334 0.517 -9.969 1.00 0.00 C ATOM 805 CG1 VAL A 56 -0.287 1.458 -10.991 1.00 0.00 C ATOM 806 CG2 VAL A 56 -0.138 0.857 -8.564 1.00 0.00 C ATOM 0 H VAL A 56 -1.353 -1.708 -8.900 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.003 -1.068 -11.393 1.00 0.00 H new ATOM 0 HB VAL A 56 1.416 0.643 -10.005 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.041 2.488 -10.734 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.104 1.228 -11.982 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.370 1.333 -10.990 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.106 1.895 -8.339 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.217 0.715 -8.498 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.358 0.204 -7.846 1.00 0.00 H new ATOM 816 N GLN A 57 2.223 -1.914 -10.353 1.00 0.00 N ATOM 817 CA GLN A 57 3.323 -2.745 -9.877 1.00 0.00 C ATOM 818 C GLN A 57 4.539 -1.891 -9.531 1.00 0.00 C ATOM 819 O GLN A 57 4.927 -1.008 -10.295 1.00 0.00 O ATOM 820 CB GLN A 57 3.699 -3.785 -10.933 1.00 0.00 C ATOM 821 CG GLN A 57 2.845 -5.042 -10.880 1.00 0.00 C ATOM 822 CD GLN A 57 3.047 -5.936 -12.087 1.00 0.00 C ATOM 823 OE1 GLN A 57 4.175 -6.155 -12.530 1.00 0.00 O ATOM 824 NE2 GLN A 57 1.952 -6.458 -12.627 1.00 0.00 N ATOM 0 H GLN A 57 2.424 -1.398 -11.210 1.00 0.00 H new ATOM 0 HA GLN A 57 2.993 -3.259 -8.974 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.608 -3.336 -11.922 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.745 -4.061 -10.803 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.083 -5.601 -9.975 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.794 -4.760 -10.813 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.037 -6.250 -12.227 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.026 -7.067 -13.442 1.00 0.00 H new ATOM 833 N VAL A 58 5.136 -2.162 -8.375 1.00 0.00 N ATOM 834 CA VAL A 58 6.309 -1.419 -7.928 1.00 0.00 C ATOM 835 C VAL A 58 7.481 -2.355 -7.656 1.00 0.00 C ATOM 836 O VAL A 58 7.325 -3.392 -7.011 1.00 0.00 O ATOM 837 CB VAL A 58 6.007 -0.608 -6.654 1.00 0.00 C ATOM 838 CG1 VAL A 58 5.034 0.521 -6.957 1.00 0.00 C ATOM 839 CG2 VAL A 58 5.461 -1.515 -5.562 1.00 0.00 C ATOM 0 H VAL A 58 4.827 -2.890 -7.731 1.00 0.00 H new ATOM 0 HA VAL A 58 6.575 -0.733 -8.732 1.00 0.00 H new ATOM 0 HB VAL A 58 6.937 -0.167 -6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.833 1.083 -6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.469 1.185 -7.704 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.102 0.105 -7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.253 -0.925 -4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.541 -1.987 -5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.197 -2.284 -5.326 1.00 0.00 H new ATOM 849 N GLY A 59 8.657 -1.982 -8.152 1.00 0.00 N ATOM 850 CA GLY A 59 9.839 -2.800 -7.951 1.00 0.00 C ATOM 851 C GLY A 59 10.405 -2.667 -6.551 1.00 0.00 C ATOM 852 O GLY A 59 11.448 -3.242 -6.239 1.00 0.00 O ATOM 0 H GLY A 59 8.812 -1.129 -8.689 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.591 -3.844 -8.142 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.601 -2.516 -8.676 1.00 0.00 H new ATOM 856 N ARG A 60 9.716 -1.907 -5.706 1.00 0.00 N ATOM 857 CA ARG A 60 10.158 -1.699 -4.332 1.00 0.00 C ATOM 858 C ARG A 60 9.000 -1.881 -3.355 1.00 0.00 C ATOM 859 O ARG A 60 7.838 -1.635 -3.679 1.00 0.00 O ATOM 860 CB ARG A 60 10.758 -0.301 -4.173 1.00 0.00 C ATOM 861 CG ARG A 60 9.883 0.805 -4.740 1.00 0.00 C ATOM 862 CD ARG A 60 10.529 2.171 -4.566 1.00 0.00 C ATOM 863 NE ARG A 60 9.545 3.250 -4.596 1.00 0.00 N ATOM 864 CZ ARG A 60 8.911 3.636 -5.697 1.00 0.00 C ATOM 865 NH1 ARG A 60 9.156 3.034 -6.853 1.00 0.00 N ATOM 866 NH2 ARG A 60 8.029 4.626 -5.644 1.00 0.00 N ATOM 0 H ARG A 60 8.850 -1.425 -5.948 1.00 0.00 H new ATOM 0 HA ARG A 60 10.922 -2.443 -4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.933 -0.108 -3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.729 -0.273 -4.667 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.701 0.620 -5.799 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.913 0.794 -4.243 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.069 2.199 -3.619 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.263 2.328 -5.356 1.00 0.00 H new ATOM 0 HE ARG A 60 9.333 3.734 -3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.833 2.272 -6.898 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.667 3.333 -7.697 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.837 5.091 -4.757 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.543 4.922 -6.490 1.00 0.00 H new ATOM 880 N PRO A 61 9.322 -2.325 -2.131 1.00 0.00 N ATOM 881 CA PRO A 61 8.323 -2.550 -1.082 1.00 0.00 C ATOM 882 C PRO A 61 7.727 -1.247 -0.560 1.00 0.00 C ATOM 883 O PRO A 61 6.907 -1.254 0.357 1.00 0.00 O ATOM 884 CB PRO A 61 9.119 -3.253 0.020 1.00 0.00 C ATOM 885 CG PRO A 61 10.528 -2.816 -0.192 1.00 0.00 C ATOM 886 CD PRO A 61 10.687 -2.639 -1.676 1.00 0.00 C ATOM 0 HA PRO A 61 7.472 -3.126 -1.446 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.761 -2.969 1.010 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.025 -4.336 -0.054 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.731 -1.884 0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.229 -3.559 0.190 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.384 -1.835 -1.912 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.070 -3.543 -2.150 1.00 0.00 H new ATOM 894 N GLU A 62 8.144 -0.132 -1.151 1.00 0.00 N ATOM 895 CA GLU A 62 7.650 1.178 -0.745 1.00 0.00 C ATOM 896 C GLU A 62 6.940 1.875 -1.902 1.00 0.00 C ATOM 897 O GLU A 62 7.432 1.887 -3.030 1.00 0.00 O ATOM 898 CB GLU A 62 8.802 2.049 -0.240 1.00 0.00 C ATOM 899 CG GLU A 62 9.913 2.238 -1.259 1.00 0.00 C ATOM 900 CD GLU A 62 10.989 1.174 -1.154 1.00 0.00 C ATOM 901 OE1 GLU A 62 10.659 0.032 -0.769 1.00 0.00 O ATOM 902 OE2 GLU A 62 12.160 1.483 -1.457 1.00 0.00 O ATOM 0 H GLU A 62 8.823 -0.110 -1.912 1.00 0.00 H new ATOM 0 HA GLU A 62 6.933 1.032 0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.411 3.026 0.044 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.219 1.599 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.487 2.221 -2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.364 3.221 -1.121 1.00 0.00 H new ATOM 909 N VAL A 63 5.779 2.456 -1.613 1.00 0.00 N ATOM 910 CA VAL A 63 5.001 3.155 -2.628 1.00 0.00 C ATOM 911 C VAL A 63 4.526 4.511 -2.118 1.00 0.00 C ATOM 912 O VAL A 63 4.249 4.678 -0.929 1.00 0.00 O ATOM 913 CB VAL A 63 3.779 2.328 -3.068 1.00 0.00 C ATOM 914 CG1 VAL A 63 2.896 2.001 -1.873 1.00 0.00 C ATOM 915 CG2 VAL A 63 2.990 3.069 -4.137 1.00 0.00 C ATOM 0 H VAL A 63 5.357 2.456 -0.684 1.00 0.00 H new ATOM 0 HA VAL A 63 5.658 3.301 -3.485 1.00 0.00 H new ATOM 0 HB VAL A 63 4.133 1.390 -3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.038 1.416 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.468 1.426 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.549 2.926 -1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.130 2.469 -4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.646 4.024 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.628 3.246 -5.003 1.00 0.00 H new ATOM 925 N LEU A 64 4.432 5.478 -3.024 1.00 0.00 N ATOM 926 CA LEU A 64 3.989 6.821 -2.666 1.00 0.00 C ATOM 927 C LEU A 64 2.890 7.301 -3.610 1.00 0.00 C ATOM 928 O LEU A 64 3.145 7.596 -4.778 1.00 0.00 O ATOM 929 CB LEU A 64 5.168 7.795 -2.701 1.00 0.00 C ATOM 930 CG LEU A 64 4.816 9.280 -2.605 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.198 9.594 -1.251 1.00 0.00 C ATOM 932 CD2 LEU A 64 6.050 10.137 -2.842 1.00 0.00 C ATOM 0 H LEU A 64 4.657 5.357 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 64 3.585 6.786 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.842 7.548 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.720 7.632 -3.627 1.00 0.00 H new ATOM 0 HG LEU A 64 4.084 9.512 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.954 10.655 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.290 9.006 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.907 9.347 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.781 11.191 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.805 9.903 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.450 9.932 -3.835 1.00 0.00 H new ATOM 944 N LEU A 65 1.668 7.379 -3.095 1.00 0.00 N ATOM 945 CA LEU A 65 0.530 7.826 -3.890 1.00 0.00 C ATOM 946 C LEU A 65 0.348 9.337 -3.779 1.00 0.00 C ATOM 947 O LEU A 65 -0.142 9.840 -2.768 1.00 0.00 O ATOM 948 CB LEU A 65 -0.745 7.113 -3.438 1.00 0.00 C ATOM 949 CG LEU A 65 -0.696 5.584 -3.441 1.00 0.00 C ATOM 950 CD1 LEU A 65 -1.992 5.008 -2.892 1.00 0.00 C ATOM 951 CD2 LEU A 65 -0.430 5.062 -4.845 1.00 0.00 C ATOM 0 H LEU A 65 1.440 7.138 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 65 0.727 7.578 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.986 7.447 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.564 7.432 -4.083 1.00 0.00 H new ATOM 0 HG LEU A 65 0.122 5.264 -2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.939 3.919 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.140 5.355 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.827 5.336 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.398 3.973 -4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.226 5.392 -5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.525 5.447 -5.201 1.00 0.00 H new ATOM 963 N ASP A 66 0.742 10.053 -4.826 1.00 0.00 N ATOM 964 CA ASP A 66 0.620 11.506 -4.848 1.00 0.00 C ATOM 965 C ASP A 66 -0.696 11.931 -5.493 1.00 0.00 C ATOM 966 O ASP A 66 -1.127 11.349 -6.488 1.00 0.00 O ATOM 967 CB ASP A 66 1.796 12.128 -5.602 1.00 0.00 C ATOM 968 CG ASP A 66 1.949 11.564 -7.001 1.00 0.00 C ATOM 969 OD1 ASP A 66 1.488 10.427 -7.237 1.00 0.00 O ATOM 970 OD2 ASP A 66 2.529 12.260 -7.861 1.00 0.00 O ATOM 0 H ASP A 66 1.149 9.651 -5.671 1.00 0.00 H new ATOM 0 HA ASP A 66 0.631 11.862 -3.818 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.656 13.207 -5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.715 11.956 -5.042 1.00 0.00 H new ATOM 975 N GLY A 67 -1.330 12.949 -4.919 1.00 0.00 N ATOM 976 CA GLY A 67 -2.590 13.433 -5.451 1.00 0.00 C ATOM 977 C GLY A 67 -3.788 12.819 -4.755 1.00 0.00 C ATOM 978 O GLY A 67 -4.548 12.063 -5.361 1.00 0.00 O ATOM 0 H GLY A 67 -0.993 13.447 -4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.631 14.517 -5.349 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.640 13.211 -6.517 1.00 0.00 H new ATOM 982 N LEU A 68 -3.956 13.140 -3.477 1.00 0.00 N ATOM 983 CA LEU A 68 -5.070 12.613 -2.695 1.00 0.00 C ATOM 984 C LEU A 68 -5.833 13.740 -2.007 1.00 0.00 C ATOM 985 O LEU A 68 -5.366 14.877 -1.954 1.00 0.00 O ATOM 986 CB LEU A 68 -4.560 11.616 -1.653 1.00 0.00 C ATOM 987 CG LEU A 68 -3.856 10.374 -2.201 1.00 0.00 C ATOM 988 CD1 LEU A 68 -3.182 9.603 -1.077 1.00 0.00 C ATOM 989 CD2 LEU A 68 -4.843 9.485 -2.943 1.00 0.00 C ATOM 0 H LEU A 68 -3.335 13.763 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.750 12.101 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.870 12.136 -0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.405 11.292 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.088 10.696 -2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.686 8.723 -1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.445 10.241 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.931 9.292 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.324 8.606 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.634 9.171 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.279 10.040 -3.774 1.00 0.00 H new ATOM 1001 N GLU A 69 -7.009 13.415 -1.479 1.00 0.00 N ATOM 1002 CA GLU A 69 -7.836 14.400 -0.792 1.00 0.00 C ATOM 1003 C GLU A 69 -7.646 14.311 0.719 1.00 0.00 C ATOM 1004 O GLU A 69 -7.490 13.231 1.289 1.00 0.00 O ATOM 1005 CB GLU A 69 -9.311 14.195 -1.144 1.00 0.00 C ATOM 1006 CG GLU A 69 -9.659 14.598 -2.567 1.00 0.00 C ATOM 1007 CD GLU A 69 -9.616 16.100 -2.775 1.00 0.00 C ATOM 1008 OE1 GLU A 69 -8.500 16.655 -2.859 1.00 0.00 O ATOM 1009 OE2 GLU A 69 -10.697 16.720 -2.853 1.00 0.00 O ATOM 0 H GLU A 69 -7.410 12.478 -1.514 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.525 15.391 -1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.568 13.146 -0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.925 14.772 -0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.964 14.119 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.655 14.229 -2.812 1.00 0.00 H new ATOM 1016 N PRO A 70 -7.658 15.475 1.386 1.00 0.00 N ATOM 1017 CA PRO A 70 -7.489 15.557 2.839 1.00 0.00 C ATOM 1018 C PRO A 70 -8.689 14.998 3.596 1.00 0.00 C ATOM 1019 O PRO A 70 -9.830 15.379 3.337 1.00 0.00 O ATOM 1020 CB PRO A 70 -7.347 17.059 3.096 1.00 0.00 C ATOM 1021 CG PRO A 70 -8.049 17.707 1.953 1.00 0.00 C ATOM 1022 CD PRO A 70 -7.840 16.801 0.772 1.00 0.00 C ATOM 0 HA PRO A 70 -6.638 14.969 3.183 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.796 17.342 4.048 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.299 17.356 3.137 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.111 17.831 2.167 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.645 18.700 1.759 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.696 16.817 0.097 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.968 17.096 0.188 1.00 0.00 H new ATOM 1030 N GLY A 71 -8.424 14.093 4.533 1.00 0.00 N ATOM 1031 CA GLY A 71 -9.493 13.498 5.313 1.00 0.00 C ATOM 1032 C GLY A 71 -10.221 12.404 4.557 1.00 0.00 C ATOM 1033 O GLY A 71 -11.448 12.418 4.461 1.00 0.00 O ATOM 0 H GLY A 71 -7.488 13.761 4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.081 13.087 6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.204 14.273 5.600 1.00 0.00 H new ATOM 1037 N ARG A 72 -9.464 11.454 4.018 1.00 0.00 N ATOM 1038 CA ARG A 72 -10.045 10.349 3.265 1.00 0.00 C ATOM 1039 C ARG A 72 -9.352 9.034 3.608 1.00 0.00 C ATOM 1040 O ARG A 72 -8.135 8.990 3.788 1.00 0.00 O ATOM 1041 CB ARG A 72 -9.939 10.617 1.762 1.00 0.00 C ATOM 1042 CG ARG A 72 -11.056 9.983 0.950 1.00 0.00 C ATOM 1043 CD ARG A 72 -10.931 10.318 -0.528 1.00 0.00 C ATOM 1044 NE ARG A 72 -12.196 10.149 -1.237 1.00 0.00 N ATOM 1045 CZ ARG A 72 -12.489 10.767 -2.375 1.00 0.00 C ATOM 1046 NH1 ARG A 72 -11.612 11.592 -2.930 1.00 0.00 N ATOM 1047 NH2 ARG A 72 -13.662 10.561 -2.961 1.00 0.00 N ATOM 0 H ARG A 72 -8.447 11.427 4.089 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.097 10.268 3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.944 11.694 1.592 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.981 10.242 1.401 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.034 8.901 1.082 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -12.020 10.330 1.322 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.588 11.347 -0.639 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.173 9.679 -0.982 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.893 9.522 -0.836 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.710 11.753 -2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.840 12.065 -3.804 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.340 9.927 -2.537 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.886 11.036 -3.835 1.00 0.00 H new ATOM 1061 N ASP A 73 -10.135 7.964 3.696 1.00 0.00 N ATOM 1062 CA ASP A 73 -9.597 6.647 4.017 1.00 0.00 C ATOM 1063 C ASP A 73 -9.317 5.851 2.746 1.00 0.00 C ATOM 1064 O ASP A 73 -10.072 5.925 1.776 1.00 0.00 O ATOM 1065 CB ASP A 73 -10.572 5.879 4.911 1.00 0.00 C ATOM 1066 CG ASP A 73 -10.362 6.174 6.383 1.00 0.00 C ATOM 1067 OD1 ASP A 73 -9.195 6.165 6.830 1.00 0.00 O ATOM 1068 OD2 ASP A 73 -11.364 6.413 7.089 1.00 0.00 O ATOM 0 H ASP A 73 -11.144 7.983 3.550 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.658 6.785 4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.594 6.136 4.634 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.454 4.809 4.737 1.00 0.00 H new ATOM 1073 N TYR A 74 -8.228 5.091 2.759 1.00 0.00 N ATOM 1074 CA TYR A 74 -7.846 4.283 1.607 1.00 0.00 C ATOM 1075 C TYR A 74 -7.488 2.862 2.032 1.00 0.00 C ATOM 1076 O TYR A 74 -7.090 2.626 3.172 1.00 0.00 O ATOM 1077 CB TYR A 74 -6.663 4.923 0.879 1.00 0.00 C ATOM 1078 CG TYR A 74 -7.000 6.240 0.216 1.00 0.00 C ATOM 1079 CD1 TYR A 74 -7.646 6.277 -1.013 1.00 0.00 C ATOM 1080 CD2 TYR A 74 -6.673 7.448 0.821 1.00 0.00 C ATOM 1081 CE1 TYR A 74 -7.955 7.477 -1.622 1.00 0.00 C ATOM 1082 CE2 TYR A 74 -6.979 8.653 0.220 1.00 0.00 C ATOM 1083 CZ TYR A 74 -7.619 8.663 -1.002 1.00 0.00 C ATOM 1084 OH TYR A 74 -7.927 9.861 -1.604 1.00 0.00 O ATOM 0 H TYR A 74 -7.594 5.017 3.555 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.699 4.236 0.930 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.852 5.081 1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.294 4.229 0.123 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.911 5.351 -1.501 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.171 7.444 1.777 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.457 7.487 -2.578 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.719 9.583 0.704 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.848 10.586 -0.949 1.00 0.00 H new ATOM 1094 N GLU A 75 -7.633 1.920 1.105 1.00 0.00 N ATOM 1095 CA GLU A 75 -7.325 0.522 1.384 1.00 0.00 C ATOM 1096 C GLU A 75 -6.286 -0.012 0.402 1.00 0.00 C ATOM 1097 O GLU A 75 -6.629 -0.589 -0.630 1.00 0.00 O ATOM 1098 CB GLU A 75 -8.595 -0.327 1.311 1.00 0.00 C ATOM 1099 CG GLU A 75 -9.522 -0.139 2.500 1.00 0.00 C ATOM 1100 CD GLU A 75 -10.790 -0.963 2.387 1.00 0.00 C ATOM 1101 OE1 GLU A 75 -11.337 -1.058 1.269 1.00 0.00 O ATOM 1102 OE2 GLU A 75 -11.235 -1.512 3.416 1.00 0.00 O ATOM 0 H GLU A 75 -7.961 2.099 0.156 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.913 0.461 2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.135 -0.080 0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.316 -1.378 1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.995 -0.413 3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.785 0.915 2.588 1.00 0.00 H new ATOM 1109 N VAL A 76 -5.013 0.186 0.731 1.00 0.00 N ATOM 1110 CA VAL A 76 -3.923 -0.276 -0.120 1.00 0.00 C ATOM 1111 C VAL A 76 -3.571 -1.729 0.177 1.00 0.00 C ATOM 1112 O VAL A 76 -3.226 -2.076 1.307 1.00 0.00 O ATOM 1113 CB VAL A 76 -2.664 0.594 0.059 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -1.553 0.123 -0.868 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -2.989 2.059 -0.186 1.00 0.00 C ATOM 0 H VAL A 76 -4.712 0.663 1.581 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.269 -0.193 -1.150 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.315 0.490 1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.672 0.749 -0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.302 -0.913 -0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.888 0.195 -1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.088 2.658 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.363 2.184 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.749 2.387 0.523 1.00 0.00 H new ATOM 1125 N SER A 77 -3.659 -2.575 -0.844 1.00 0.00 N ATOM 1126 CA SER A 77 -3.352 -3.992 -0.692 1.00 0.00 C ATOM 1127 C SER A 77 -2.067 -4.353 -1.431 1.00 0.00 C ATOM 1128 O SER A 77 -1.939 -4.111 -2.631 1.00 0.00 O ATOM 1129 CB SER A 77 -4.511 -4.845 -1.213 1.00 0.00 C ATOM 1130 OG SER A 77 -4.938 -4.399 -2.488 1.00 0.00 O ATOM 0 H SER A 77 -3.941 -2.303 -1.786 1.00 0.00 H new ATOM 0 HA SER A 77 -3.209 -4.195 0.369 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.200 -5.888 -1.274 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.344 -4.801 -0.511 1.00 0.00 H new ATOM 0 HG SER A 77 -5.678 -4.961 -2.800 1.00 0.00 H new ATOM 1136 N VAL A 78 -1.117 -4.933 -0.705 1.00 0.00 N ATOM 1137 CA VAL A 78 0.158 -5.329 -1.290 1.00 0.00 C ATOM 1138 C VAL A 78 0.276 -6.846 -1.376 1.00 0.00 C ATOM 1139 O VAL A 78 -0.296 -7.570 -0.561 1.00 0.00 O ATOM 1140 CB VAL A 78 1.344 -4.778 -0.476 1.00 0.00 C ATOM 1141 CG1 VAL A 78 2.655 -5.027 -1.207 1.00 0.00 C ATOM 1142 CG2 VAL A 78 1.154 -3.295 -0.195 1.00 0.00 C ATOM 0 H VAL A 78 -1.206 -5.139 0.290 1.00 0.00 H new ATOM 0 HA VAL A 78 0.189 -4.908 -2.295 1.00 0.00 H new ATOM 0 HB VAL A 78 1.382 -5.303 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.482 -4.631 -0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.793 -6.098 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.631 -4.530 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.001 -2.922 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.089 -2.752 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.236 -3.147 0.373 1.00 0.00 H new ATOM 1152 N GLN A 79 1.022 -7.321 -2.368 1.00 0.00 N ATOM 1153 CA GLN A 79 1.215 -8.754 -2.560 1.00 0.00 C ATOM 1154 C GLN A 79 2.611 -9.048 -3.100 1.00 0.00 C ATOM 1155 O GLN A 79 3.078 -8.391 -4.030 1.00 0.00 O ATOM 1156 CB GLN A 79 0.158 -9.308 -3.517 1.00 0.00 C ATOM 1157 CG GLN A 79 0.489 -10.691 -4.053 1.00 0.00 C ATOM 1158 CD GLN A 79 -0.529 -11.184 -5.063 1.00 0.00 C ATOM 1159 OE1 GLN A 79 -1.076 -10.404 -5.842 1.00 0.00 O ATOM 1160 NE2 GLN A 79 -0.788 -12.487 -5.055 1.00 0.00 N ATOM 0 H GLN A 79 1.502 -6.735 -3.051 1.00 0.00 H new ATOM 0 HA GLN A 79 1.110 -9.242 -1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -0.802 -9.347 -3.002 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.042 -8.621 -4.355 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.475 -10.670 -4.517 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.542 -11.395 -3.223 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.311 -13.098 -4.392 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.464 -12.877 -5.712 1.00 0.00 H new ATOM 1169 N SER A 80 3.272 -10.038 -2.509 1.00 0.00 N ATOM 1170 CA SER A 80 4.616 -10.416 -2.928 1.00 0.00 C ATOM 1171 C SER A 80 4.566 -11.464 -4.036 1.00 0.00 C ATOM 1172 O SER A 80 4.509 -12.665 -3.768 1.00 0.00 O ATOM 1173 CB SER A 80 5.412 -10.954 -1.737 1.00 0.00 C ATOM 1174 OG SER A 80 5.626 -9.943 -0.768 1.00 0.00 O ATOM 0 H SER A 80 2.899 -10.593 -1.739 1.00 0.00 H new ATOM 0 HA SER A 80 5.112 -9.526 -3.316 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.876 -11.788 -1.284 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.371 -11.341 -2.081 1.00 0.00 H new ATOM 0 HG SER A 80 5.679 -10.349 0.122 1.00 0.00 H new ATOM 1180 N LEU A 81 4.586 -11.001 -5.281 1.00 0.00 N ATOM 1181 CA LEU A 81 4.543 -11.897 -6.431 1.00 0.00 C ATOM 1182 C LEU A 81 5.943 -12.377 -6.801 1.00 0.00 C ATOM 1183 O LEU A 81 6.933 -11.697 -6.534 1.00 0.00 O ATOM 1184 CB LEU A 81 3.900 -11.193 -7.627 1.00 0.00 C ATOM 1185 CG LEU A 81 2.409 -10.881 -7.500 1.00 0.00 C ATOM 1186 CD1 LEU A 81 2.202 -9.510 -6.875 1.00 0.00 C ATOM 1187 CD2 LEU A 81 1.730 -10.956 -8.860 1.00 0.00 C ATOM 0 H LEU A 81 4.632 -10.010 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 81 3.941 -12.765 -6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.433 -10.258 -7.802 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.047 -11.814 -8.511 1.00 0.00 H new ATOM 0 HG LEU A 81 1.956 -11.628 -6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.135 -9.305 -6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.653 -9.491 -5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.670 -8.750 -7.501 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.669 -10.731 -8.750 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.186 -10.232 -9.535 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.847 -11.959 -9.271 1.00 0.00 H new ATOM 1199 N ARG A 82 6.016 -13.552 -7.418 1.00 0.00 N ATOM 1200 CA ARG A 82 7.294 -14.122 -7.826 1.00 0.00 C ATOM 1201 C ARG A 82 7.332 -14.350 -9.334 1.00 0.00 C ATOM 1202 O ARG A 82 8.390 -14.276 -9.957 1.00 0.00 O ATOM 1203 CB ARG A 82 7.545 -15.442 -7.093 1.00 0.00 C ATOM 1204 CG ARG A 82 8.925 -16.026 -7.347 1.00 0.00 C ATOM 1205 CD ARG A 82 8.980 -17.502 -6.986 1.00 0.00 C ATOM 1206 NE ARG A 82 9.352 -17.712 -5.590 1.00 0.00 N ATOM 1207 CZ ARG A 82 9.891 -18.837 -5.134 1.00 0.00 C ATOM 1208 NH1 ARG A 82 10.121 -19.848 -5.959 1.00 0.00 N ATOM 1209 NH2 ARG A 82 10.203 -18.951 -3.849 1.00 0.00 N ATOM 0 H ARG A 82 5.205 -14.127 -7.646 1.00 0.00 H new ATOM 0 HA ARG A 82 8.079 -13.413 -7.564 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.418 -15.283 -6.022 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.791 -16.167 -7.399 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.188 -15.897 -8.397 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.666 -15.480 -6.763 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.008 -17.957 -7.174 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.699 -18.006 -7.632 1.00 0.00 H new ATOM 0 HE ARG A 82 9.189 -16.953 -4.928 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.884 -19.764 -6.947 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.535 -20.711 -5.606 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.029 -18.174 -3.211 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.617 -19.815 -3.499 1.00 0.00 H new ATOM 1223 N GLY A 83 6.168 -14.628 -9.915 1.00 0.00 N ATOM 1224 CA GLY A 83 6.090 -14.864 -11.344 1.00 0.00 C ATOM 1225 C GLY A 83 4.740 -15.406 -11.770 1.00 0.00 C ATOM 1226 O GLY A 83 3.845 -14.660 -12.168 1.00 0.00 O ATOM 0 H GLY A 83 5.278 -14.694 -9.421 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.288 -13.932 -11.874 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.869 -15.568 -11.636 1.00 0.00 H new ATOM 1230 N PRO A 84 4.580 -16.735 -11.690 1.00 0.00 N ATOM 1231 CA PRO A 84 3.333 -17.407 -12.067 1.00 0.00 C ATOM 1232 C PRO A 84 2.199 -17.113 -11.091 1.00 0.00 C ATOM 1233 O PRO A 84 1.104 -16.724 -11.497 1.00 0.00 O ATOM 1234 CB PRO A 84 3.703 -18.892 -12.026 1.00 0.00 C ATOM 1235 CG PRO A 84 4.842 -18.972 -11.069 1.00 0.00 C ATOM 1236 CD PRO A 84 5.605 -17.685 -11.225 1.00 0.00 C ATOM 0 HA PRO A 84 2.967 -17.072 -13.038 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.862 -19.500 -11.693 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.989 -19.256 -13.013 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.485 -19.092 -10.046 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.476 -19.831 -11.288 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.051 -17.366 -10.283 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.417 -17.784 -11.945 1.00 0.00 H new ATOM 1244 N GLU A 85 2.469 -17.302 -9.803 1.00 0.00 N ATOM 1245 CA GLU A 85 1.469 -17.058 -8.770 1.00 0.00 C ATOM 1246 C GLU A 85 1.996 -16.079 -7.724 1.00 0.00 C ATOM 1247 O GLU A 85 3.199 -16.005 -7.478 1.00 0.00 O ATOM 1248 CB GLU A 85 1.066 -18.372 -8.098 1.00 0.00 C ATOM 1249 CG GLU A 85 2.242 -19.157 -7.541 1.00 0.00 C ATOM 1250 CD GLU A 85 1.836 -20.520 -7.015 1.00 0.00 C ATOM 1251 OE1 GLU A 85 1.260 -20.582 -5.909 1.00 0.00 O ATOM 1252 OE2 GLU A 85 2.096 -21.525 -7.710 1.00 0.00 O ATOM 0 H GLU A 85 3.371 -17.623 -9.450 1.00 0.00 H new ATOM 0 HA GLU A 85 0.592 -16.618 -9.245 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.368 -18.157 -7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.536 -18.992 -8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.993 -19.282 -8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.708 -18.586 -6.738 1.00 0.00 H new ATOM 1259 N GLY A 86 1.085 -15.330 -7.110 1.00 0.00 N ATOM 1260 CA GLY A 86 1.476 -14.366 -6.099 1.00 0.00 C ATOM 1261 C GLY A 86 1.203 -14.858 -4.692 1.00 0.00 C ATOM 1262 O GLY A 86 0.839 -16.017 -4.492 1.00 0.00 O ATOM 0 H GLY A 86 0.083 -15.374 -7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.538 -14.145 -6.204 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.939 -13.432 -6.265 1.00 0.00 H new ATOM 1266 N SER A 87 1.381 -13.977 -3.713 1.00 0.00 N ATOM 1267 CA SER A 87 1.156 -14.330 -2.316 1.00 0.00 C ATOM 1268 C SER A 87 -0.160 -13.745 -1.812 1.00 0.00 C ATOM 1269 O SER A 87 -0.821 -12.982 -2.516 1.00 0.00 O ATOM 1270 CB SER A 87 2.314 -13.832 -1.449 1.00 0.00 C ATOM 1271 OG SER A 87 2.385 -12.417 -1.457 1.00 0.00 O ATOM 0 H SER A 87 1.680 -13.013 -3.861 1.00 0.00 H new ATOM 0 HA SER A 87 1.100 -15.416 -2.246 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.186 -14.187 -0.426 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.252 -14.248 -1.816 1.00 0.00 H new ATOM 0 HG SER A 87 2.854 -12.108 -0.654 1.00 0.00 H new ATOM 1277 N GLU A 88 -0.532 -14.109 -0.589 1.00 0.00 N ATOM 1278 CA GLU A 88 -1.769 -13.620 0.009 1.00 0.00 C ATOM 1279 C GLU A 88 -1.859 -12.100 -0.091 1.00 0.00 C ATOM 1280 O GLU A 88 -0.869 -11.427 -0.375 1.00 0.00 O ATOM 1281 CB GLU A 88 -1.859 -14.052 1.474 1.00 0.00 C ATOM 1282 CG GLU A 88 -3.275 -14.355 1.934 1.00 0.00 C ATOM 1283 CD GLU A 88 -3.486 -14.059 3.406 1.00 0.00 C ATOM 1284 OE1 GLU A 88 -2.837 -13.125 3.922 1.00 0.00 O ATOM 1285 OE2 GLU A 88 -4.301 -14.760 4.042 1.00 0.00 O ATOM 0 H GLU A 88 0.005 -14.740 0.006 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.604 -14.053 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.241 -14.938 1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.443 -13.265 2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.978 -13.767 1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.498 -15.405 1.743 1.00 0.00 H new ATOM 1292 N ALA A 89 -3.053 -11.567 0.145 1.00 0.00 N ATOM 1293 CA ALA A 89 -3.272 -10.127 0.083 1.00 0.00 C ATOM 1294 C ALA A 89 -3.124 -9.490 1.460 1.00 0.00 C ATOM 1295 O ALA A 89 -3.834 -9.849 2.400 1.00 0.00 O ATOM 1296 CB ALA A 89 -4.648 -9.827 -0.495 1.00 0.00 C ATOM 0 H ALA A 89 -3.883 -12.110 0.381 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.514 -9.696 -0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.798 -8.748 -0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.718 -10.241 -1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.414 -10.276 0.137 1.00 0.00 H new ATOM 1302 N ARG A 90 -2.198 -8.543 1.572 1.00 0.00 N ATOM 1303 CA ARG A 90 -1.956 -7.857 2.836 1.00 0.00 C ATOM 1304 C ARG A 90 -2.045 -6.344 2.659 1.00 0.00 C ATOM 1305 O ARG A 90 -1.151 -5.722 2.088 1.00 0.00 O ATOM 1306 CB ARG A 90 -0.582 -8.236 3.392 1.00 0.00 C ATOM 1307 CG ARG A 90 -0.542 -9.616 4.029 1.00 0.00 C ATOM 1308 CD ARG A 90 -1.307 -9.645 5.343 1.00 0.00 C ATOM 1309 NE ARG A 90 -0.610 -8.914 6.398 1.00 0.00 N ATOM 1310 CZ ARG A 90 -0.784 -7.618 6.632 1.00 0.00 C ATOM 1311 NH1 ARG A 90 -1.628 -6.914 5.891 1.00 0.00 N ATOM 1312 NH2 ARG A 90 -0.113 -7.024 7.611 1.00 0.00 N ATOM 0 H ARG A 90 -1.603 -8.233 0.803 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.725 -8.169 3.543 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.150 -8.196 2.586 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.282 -7.495 4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.968 -10.347 3.342 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.494 -9.908 4.203 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.297 -9.213 5.196 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.454 -10.679 5.654 1.00 0.00 H new ATOM 0 HE ARG A 90 0.046 -9.427 6.987 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.146 -7.367 5.138 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.759 -5.919 6.073 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.537 -7.563 8.184 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.247 -6.029 7.790 1.00 0.00 H new ATOM 1326 N GLY A 91 -3.132 -5.759 3.153 1.00 0.00 N ATOM 1327 CA GLY A 91 -3.319 -4.324 3.039 1.00 0.00 C ATOM 1328 C GLY A 91 -3.481 -3.651 4.388 1.00 0.00 C ATOM 1329 O GLY A 91 -3.787 -4.308 5.383 1.00 0.00 O ATOM 0 H GLY A 91 -3.886 -6.253 3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.465 -3.890 2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.199 -4.123 2.428 1.00 0.00 H new ATOM 1333 N ILE A 92 -3.275 -2.339 4.421 1.00 0.00 N ATOM 1334 CA ILE A 92 -3.401 -1.578 5.658 1.00 0.00 C ATOM 1335 C ILE A 92 -4.383 -0.423 5.496 1.00 0.00 C ATOM 1336 O ILE A 92 -4.530 0.132 4.407 1.00 0.00 O ATOM 1337 CB ILE A 92 -2.040 -1.020 6.115 1.00 0.00 C ATOM 1338 CG1 ILE A 92 -2.204 -0.210 7.404 1.00 0.00 C ATOM 1339 CG2 ILE A 92 -1.424 -0.163 5.020 1.00 0.00 C ATOM 1340 CD1 ILE A 92 -0.898 0.062 8.116 1.00 0.00 C ATOM 0 H ILE A 92 -3.020 -1.781 3.606 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.776 -2.266 6.416 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.370 -1.856 6.315 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.685 0.739 7.168 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.871 -0.747 8.078 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.463 0.224 5.358 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.277 -0.767 4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.090 0.669 4.791 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.090 0.640 9.020 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.425 -0.883 8.383 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.236 0.626 7.459 1.00 0.00 H new ATOM 1352 N ARG A 93 -5.052 -0.065 6.587 1.00 0.00 N ATOM 1353 CA ARG A 93 -6.021 1.024 6.566 1.00 0.00 C ATOM 1354 C ARG A 93 -5.318 2.377 6.620 1.00 0.00 C ATOM 1355 O ARG A 93 -4.937 2.848 7.691 1.00 0.00 O ATOM 1356 CB ARG A 93 -6.992 0.895 7.741 1.00 0.00 C ATOM 1357 CG ARG A 93 -8.004 2.025 7.822 1.00 0.00 C ATOM 1358 CD ARG A 93 -9.129 1.839 6.815 1.00 0.00 C ATOM 1359 NE ARG A 93 -10.329 2.581 7.192 1.00 0.00 N ATOM 1360 CZ ARG A 93 -11.202 2.155 8.097 1.00 0.00 C ATOM 1361 NH1 ARG A 93 -11.009 0.998 8.716 1.00 0.00 N ATOM 1362 NH2 ARG A 93 -12.271 2.887 8.386 1.00 0.00 N ATOM 0 H ARG A 93 -4.941 -0.513 7.496 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.581 0.961 5.633 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.524 -0.053 7.659 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.423 0.861 8.670 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.419 2.071 8.829 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.504 2.976 7.639 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.793 2.168 5.832 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.369 0.779 6.732 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.506 3.476 6.735 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.188 0.433 8.497 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.681 0.673 9.411 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -12.422 3.778 7.913 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.941 2.559 9.081 1.00 0.00 H new ATOM 1376 N ALA A 94 -5.149 2.997 5.456 1.00 0.00 N ATOM 1377 CA ALA A 94 -4.494 4.296 5.371 1.00 0.00 C ATOM 1378 C ALA A 94 -5.460 5.423 5.722 1.00 0.00 C ATOM 1379 O ALA A 94 -6.673 5.285 5.563 1.00 0.00 O ATOM 1380 CB ALA A 94 -3.918 4.507 3.978 1.00 0.00 C ATOM 0 H ALA A 94 -5.457 2.620 4.560 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.680 4.312 6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.432 5.481 3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.188 3.726 3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.721 4.465 3.242 1.00 0.00 H new ATOM 1386 N ARG A 95 -4.914 6.536 6.200 1.00 0.00 N ATOM 1387 CA ARG A 95 -5.729 7.686 6.575 1.00 0.00 C ATOM 1388 C ARG A 95 -4.967 8.989 6.349 1.00 0.00 C ATOM 1389 O ARG A 95 -3.768 8.980 6.067 1.00 0.00 O ATOM 1390 CB ARG A 95 -6.155 7.579 8.041 1.00 0.00 C ATOM 1391 CG ARG A 95 -4.991 7.616 9.018 1.00 0.00 C ATOM 1392 CD ARG A 95 -5.307 6.844 10.289 1.00 0.00 C ATOM 1393 NE ARG A 95 -4.099 6.342 10.939 1.00 0.00 N ATOM 1394 CZ ARG A 95 -4.112 5.479 11.949 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -5.265 5.025 12.422 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -2.971 5.068 12.487 1.00 0.00 N ATOM 0 H ARG A 95 -3.912 6.666 6.337 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.618 7.691 5.945 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.839 8.396 8.272 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.708 6.651 8.183 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.104 7.194 8.545 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.757 8.651 9.268 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.849 7.490 10.980 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.965 6.008 10.051 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.196 6.672 10.599 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.144 5.338 12.010 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.273 4.362 13.197 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.083 5.415 12.125 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.982 4.405 13.262 1.00 0.00 H new ATOM 1410 N THR A 96 -5.671 10.109 6.475 1.00 0.00 N ATOM 1411 CA THR A 96 -5.063 11.420 6.283 1.00 0.00 C ATOM 1412 C THR A 96 -5.869 12.508 6.983 1.00 0.00 C ATOM 1413 O THR A 96 -7.100 12.497 6.987 1.00 0.00 O ATOM 1414 CB THR A 96 -4.941 11.769 4.787 1.00 0.00 C ATOM 1415 OG1 THR A 96 -6.224 11.682 4.158 1.00 0.00 O ATOM 1416 CG2 THR A 96 -3.964 10.833 4.091 1.00 0.00 C ATOM 0 H THR A 96 -6.663 10.135 6.709 1.00 0.00 H new ATOM 0 HA THR A 96 -4.066 11.373 6.720 1.00 0.00 H new ATOM 0 HB THR A 96 -4.564 12.788 4.703 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.138 11.907 3.208 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.894 11.099 3.036 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.981 10.923 4.554 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.316 9.805 4.184 1.00 0.00 H new ATOM 1424 N PRO A 97 -5.161 13.473 7.589 1.00 0.00 N ATOM 1425 CA PRO A 97 -5.791 14.587 8.302 1.00 0.00 C ATOM 1426 C PRO A 97 -6.491 15.559 7.358 1.00 0.00 C ATOM 1427 O PRO A 97 -6.628 15.291 6.164 1.00 0.00 O ATOM 1428 CB PRO A 97 -4.613 15.274 8.999 1.00 0.00 C ATOM 1429 CG PRO A 97 -3.427 14.927 8.167 1.00 0.00 C ATOM 1430 CD PRO A 97 -3.691 13.550 7.623 1.00 0.00 C ATOM 0 HA PRO A 97 -6.568 14.245 8.985 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.758 16.353 9.051 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.496 14.918 10.023 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.293 15.647 7.359 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.514 14.943 8.763 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.259 13.420 6.631 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.263 12.777 8.261 1.00 0.00 H new ATOM 1438 N THR A 98 -6.932 16.690 7.900 1.00 0.00 N ATOM 1439 CA THR A 98 -7.619 17.701 7.106 1.00 0.00 C ATOM 1440 C THR A 98 -7.074 19.094 7.400 1.00 0.00 C ATOM 1441 O THR A 98 -7.567 19.790 8.287 1.00 0.00 O ATOM 1442 CB THR A 98 -9.136 17.689 7.372 1.00 0.00 C ATOM 1443 OG1 THR A 98 -9.386 17.594 8.778 1.00 0.00 O ATOM 1444 CG2 THR A 98 -9.802 16.526 6.653 1.00 0.00 C ATOM 0 H THR A 98 -6.826 16.929 8.886 1.00 0.00 H new ATOM 0 HA THR A 98 -7.439 17.457 6.059 1.00 0.00 H new ATOM 0 HB THR A 98 -9.557 18.620 6.991 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.896 18.302 9.246 1.00 0.00 H new ATOM 0 HG21 THR A 98 -10.873 16.538 6.856 1.00 0.00 H new ATOM 0 HG22 THR A 98 -9.635 16.618 5.580 1.00 0.00 H new ATOM 0 HG23 THR A 98 -9.376 15.587 7.007 1.00 0.00 H new ATOM 1452 N SER A 99 -6.053 19.495 6.649 1.00 0.00 N ATOM 1453 CA SER A 99 -5.439 20.805 6.831 1.00 0.00 C ATOM 1454 C SER A 99 -6.503 21.891 6.958 1.00 0.00 C ATOM 1455 O SER A 99 -7.073 22.337 5.963 1.00 0.00 O ATOM 1456 CB SER A 99 -4.507 21.123 5.659 1.00 0.00 C ATOM 1457 OG SER A 99 -3.259 20.468 5.808 1.00 0.00 O ATOM 0 H SER A 99 -5.634 18.932 5.909 1.00 0.00 H new ATOM 0 HA SER A 99 -4.857 20.781 7.752 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.974 20.814 4.724 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.351 22.200 5.596 1.00 0.00 H new ATOM 0 HG SER A 99 -2.682 20.686 5.046 1.00 0.00 H new