USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 30 CYS SG : rot 9:sc= 0.0679 USER MOD Set 1.2: A 79 CYS SG : rot -161:sc= -0.959 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -32:sc= 1.1 USER MOD Single : A 17 ASN : amide:sc= -0.578 X(o=-0.58,f=-0.26) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -127:sc= -0.671 (180deg=-1.32) USER MOD Single : A 33 SER OG : rot -23:sc= 0.238 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0.023 (180deg=0.023) USER MOD Single : A 42 LYS NZ :NH3+ 171:sc= -1.17! (180deg=-2.1!) USER MOD Single : A 46 ASN : amide:sc= 1.06 K(o=1.1,f=-0.07) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0.941 K(o=0.94,f=-1.3) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot -130:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 161:sc= -0.113 (180deg=-0.3) USER MOD Single : A 77 TYR OH : rot -28:sc= -0.173 USER MOD Single : A 81 CYS SG : rot -56:sc= -4.11! USER MOD Single : A 83 GLN : amide:sc= -0.457 K(o=-0.46,f=-2.1) USER MOD Single : A 86 THR OG1 : rot 160:sc= -0.595 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 1.609 16.300 -1.235 1.00 0.00 N ATOM 81 CA ALA A 9 2.401 15.355 -0.458 1.00 0.00 C ATOM 82 C ALA A 9 3.325 14.542 -1.358 1.00 0.00 C ATOM 83 O ALA A 9 2.884 13.941 -2.337 1.00 0.00 O ATOM 84 CB ALA A 9 1.491 14.433 0.339 1.00 0.00 C ATOM 0 HA ALA A 9 3.021 15.923 0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.096 13.733 0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.877 15.025 1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.846 13.879 -0.343 1.00 0.00 H new ATOM 90 N LYS A 10 4.610 14.527 -1.020 1.00 0.00 N ATOM 91 CA LYS A 10 5.598 13.787 -1.797 1.00 0.00 C ATOM 92 C LYS A 10 6.018 12.513 -1.070 1.00 0.00 C ATOM 93 O LYS A 10 6.229 12.519 0.143 1.00 0.00 O ATOM 94 CB LYS A 10 6.824 14.661 -2.066 1.00 0.00 C ATOM 95 CG LYS A 10 6.614 15.678 -3.175 1.00 0.00 C ATOM 96 CD LYS A 10 7.009 15.115 -4.530 1.00 0.00 C ATOM 97 CE LYS A 10 6.714 16.101 -5.650 1.00 0.00 C ATOM 98 NZ LYS A 10 7.315 15.668 -6.942 1.00 0.00 N ATOM 0 H LYS A 10 4.992 15.019 -0.212 1.00 0.00 H new ATOM 0 HA LYS A 10 5.142 13.509 -2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.094 15.186 -1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.667 14.020 -2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.568 15.982 -3.197 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.202 16.572 -2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.071 14.872 -4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.469 14.185 -4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.635 16.205 -5.768 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.101 17.084 -5.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.092 16.366 -7.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.347 15.593 -6.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.927 14.742 -7.212 1.00 0.00 H new ATOM 112 N PHE A 11 6.139 11.422 -1.820 1.00 0.00 N ATOM 113 CA PHE A 11 6.535 10.141 -1.247 1.00 0.00 C ATOM 114 C PHE A 11 7.980 10.187 -0.759 1.00 0.00 C ATOM 115 O PHE A 11 8.914 10.291 -1.555 1.00 0.00 O ATOM 116 CB PHE A 11 6.368 9.024 -2.278 1.00 0.00 C ATOM 117 CG PHE A 11 4.937 8.761 -2.651 1.00 0.00 C ATOM 118 CD1 PHE A 11 4.135 7.961 -1.854 1.00 0.00 C ATOM 119 CD2 PHE A 11 4.394 9.314 -3.800 1.00 0.00 C ATOM 120 CE1 PHE A 11 2.817 7.718 -2.194 1.00 0.00 C ATOM 121 CE2 PHE A 11 3.077 9.075 -4.145 1.00 0.00 C ATOM 122 CZ PHE A 11 2.288 8.275 -3.342 1.00 0.00 C ATOM 0 H PHE A 11 5.969 11.400 -2.825 1.00 0.00 H new ATOM 0 HA PHE A 11 5.888 9.937 -0.393 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.927 9.284 -3.177 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.806 8.108 -1.883 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.544 7.522 -0.956 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.007 9.939 -4.433 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.202 7.094 -1.563 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.665 9.514 -5.042 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.259 8.085 -3.611 1.00 0.00 H new ATOM 132 N THR A 12 8.158 10.108 0.556 1.00 0.00 N ATOM 133 CA THR A 12 9.487 10.142 1.152 1.00 0.00 C ATOM 134 C THR A 12 10.148 8.770 1.099 1.00 0.00 C ATOM 135 O THR A 12 11.358 8.661 0.903 1.00 0.00 O ATOM 136 CB THR A 12 9.436 10.620 2.615 1.00 0.00 C ATOM 137 OG1 THR A 12 8.738 9.661 3.419 1.00 0.00 O ATOM 138 CG2 THR A 12 8.748 11.972 2.719 1.00 0.00 C ATOM 0 H THR A 12 7.397 10.020 1.229 1.00 0.00 H new ATOM 0 HA THR A 12 10.077 10.849 0.568 1.00 0.00 H new ATOM 0 HB THR A 12 10.459 10.722 2.977 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.040 9.230 2.882 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.724 12.289 3.762 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.297 12.706 2.129 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.729 11.892 2.341 1.00 0.00 H new ATOM 146 N GLU A 13 9.346 7.725 1.275 1.00 0.00 N ATOM 147 CA GLU A 13 9.855 6.358 1.248 1.00 0.00 C ATOM 148 C GLU A 13 9.437 5.647 -0.035 1.00 0.00 C ATOM 149 O GLU A 13 10.234 4.946 -0.658 1.00 0.00 O ATOM 150 CB GLU A 13 9.351 5.578 2.464 1.00 0.00 C ATOM 151 CG GLU A 13 9.956 6.042 3.779 1.00 0.00 C ATOM 152 CD GLU A 13 11.449 5.790 3.855 1.00 0.00 C ATOM 153 OE1 GLU A 13 11.856 4.611 3.797 1.00 0.00 O ATOM 154 OE2 GLU A 13 12.211 6.772 3.973 1.00 0.00 O ATOM 0 H GLU A 13 8.342 7.798 1.438 1.00 0.00 H new ATOM 0 HA GLU A 13 10.944 6.403 1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.266 5.670 2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.574 4.520 2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.764 7.107 3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.462 5.528 4.603 1.00 0.00 H new ATOM 161 N GLY A 14 8.179 5.833 -0.425 1.00 0.00 N ATOM 162 CA GLY A 14 7.676 5.203 -1.632 1.00 0.00 C ATOM 163 C GLY A 14 7.409 3.723 -1.444 1.00 0.00 C ATOM 164 O GLY A 14 7.805 3.135 -0.437 1.00 0.00 O ATOM 0 H GLY A 14 7.500 6.408 0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.756 5.699 -1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.398 5.340 -2.438 1.00 0.00 H new ATOM 168 N LEU A 15 6.734 3.118 -2.415 1.00 0.00 N ATOM 169 CA LEU A 15 6.412 1.696 -2.353 1.00 0.00 C ATOM 170 C LEU A 15 7.670 0.846 -2.498 1.00 0.00 C ATOM 171 O LEU A 15 8.721 1.340 -2.909 1.00 0.00 O ATOM 172 CB LEU A 15 5.407 1.332 -3.447 1.00 0.00 C ATOM 173 CG LEU A 15 3.942 1.650 -3.146 1.00 0.00 C ATOM 174 CD1 LEU A 15 3.086 1.447 -4.387 1.00 0.00 C ATOM 175 CD2 LEU A 15 3.434 0.789 -1.999 1.00 0.00 C ATOM 0 H LEU A 15 6.399 3.590 -3.255 1.00 0.00 H new ATOM 0 HA LEU A 15 5.968 1.491 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.691 1.854 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.492 0.264 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 15 3.871 2.696 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.047 1.678 -4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.435 2.107 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.162 0.411 -4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.390 1.029 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.519 -0.264 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.029 0.984 -1.107 1.00 0.00 H new ATOM 187 N ARG A 16 7.555 -0.434 -2.161 1.00 0.00 N ATOM 188 CA ARG A 16 8.683 -1.353 -2.255 1.00 0.00 C ATOM 189 C ARG A 16 8.213 -2.755 -2.630 1.00 0.00 C ATOM 190 O ARG A 16 7.300 -3.300 -2.011 1.00 0.00 O ATOM 191 CB ARG A 16 9.445 -1.397 -0.928 1.00 0.00 C ATOM 192 CG ARG A 16 8.707 -2.140 0.173 1.00 0.00 C ATOM 193 CD ARG A 16 9.196 -1.724 1.551 1.00 0.00 C ATOM 194 NE ARG A 16 10.332 -2.527 1.995 1.00 0.00 N ATOM 195 CZ ARG A 16 10.219 -3.768 2.456 1.00 0.00 C ATOM 196 NH1 ARG A 16 9.027 -4.344 2.534 1.00 0.00 N ATOM 197 NH2 ARG A 16 11.300 -4.435 2.841 1.00 0.00 N ATOM 0 H ARG A 16 6.692 -0.858 -1.820 1.00 0.00 H new ATOM 0 HA ARG A 16 9.350 -0.991 -3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.413 -1.872 -1.090 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.642 -0.377 -0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.638 -1.945 0.091 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.846 -3.214 0.045 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.481 -0.672 1.532 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.381 -1.820 2.269 1.00 0.00 H new ATOM 0 HE ARG A 16 11.263 -2.113 1.949 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.194 -3.834 2.240 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.943 -5.297 2.888 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.218 -3.995 2.783 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.212 -5.388 3.195 1.00 0.00 H new ATOM 211 N ASN A 17 8.843 -3.332 -3.648 1.00 0.00 N ATOM 212 CA ASN A 17 8.487 -4.670 -4.107 1.00 0.00 C ATOM 213 C ASN A 17 8.656 -5.692 -2.986 1.00 0.00 C ATOM 214 O ASN A 17 9.706 -5.760 -2.349 1.00 0.00 O ATOM 215 CB ASN A 17 9.350 -5.066 -5.307 1.00 0.00 C ATOM 216 CG ASN A 17 10.784 -5.363 -4.915 1.00 0.00 C ATOM 217 OD1 ASN A 17 11.627 -4.466 -4.875 1.00 0.00 O ATOM 218 ND2 ASN A 17 11.069 -6.627 -4.624 1.00 0.00 N ATOM 0 H ASN A 17 9.602 -2.895 -4.171 1.00 0.00 H new ATOM 0 HA ASN A 17 7.440 -4.657 -4.409 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.918 -5.944 -5.787 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.336 -4.261 -6.042 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.018 -6.887 -4.354 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.339 -7.338 -4.670 1.00 0.00 H new ATOM 225 N GLU A 18 7.614 -6.484 -2.754 1.00 0.00 N ATOM 226 CA GLU A 18 7.647 -7.502 -1.710 1.00 0.00 C ATOM 227 C GLU A 18 7.009 -8.800 -2.196 1.00 0.00 C ATOM 228 O GLU A 18 6.525 -8.881 -3.324 1.00 0.00 O ATOM 229 CB GLU A 18 6.924 -7.003 -0.457 1.00 0.00 C ATOM 230 CG GLU A 18 5.410 -7.004 -0.587 1.00 0.00 C ATOM 231 CD GLU A 18 4.712 -6.708 0.726 1.00 0.00 C ATOM 232 OE1 GLU A 18 5.381 -6.204 1.652 1.00 0.00 O ATOM 233 OE2 GLU A 18 3.497 -6.980 0.828 1.00 0.00 O ATOM 0 H GLU A 18 6.738 -6.441 -3.274 1.00 0.00 H new ATOM 0 HA GLU A 18 8.690 -7.700 -1.464 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.208 -7.628 0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.260 -5.991 -0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.112 -6.262 -1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.082 -7.975 -0.958 1.00 0.00 H new ATOM 240 N GLU A 19 7.013 -9.813 -1.335 1.00 0.00 N ATOM 241 CA GLU A 19 6.436 -11.108 -1.677 1.00 0.00 C ATOM 242 C GLU A 19 5.449 -11.564 -0.606 1.00 0.00 C ATOM 243 O GLU A 19 5.231 -10.871 0.387 1.00 0.00 O ATOM 244 CB GLU A 19 7.539 -12.154 -1.848 1.00 0.00 C ATOM 245 CG GLU A 19 8.301 -12.450 -0.567 1.00 0.00 C ATOM 246 CD GLU A 19 9.408 -13.466 -0.768 1.00 0.00 C ATOM 247 OE1 GLU A 19 10.403 -13.132 -1.445 1.00 0.00 O ATOM 248 OE2 GLU A 19 9.280 -14.595 -0.250 1.00 0.00 O ATOM 0 H GLU A 19 7.409 -9.762 -0.396 1.00 0.00 H new ATOM 0 HA GLU A 19 5.899 -11.000 -2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.097 -13.078 -2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.241 -11.809 -2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.728 -11.525 -0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.606 -12.820 0.187 1.00 0.00 H new ATOM 255 N ALA A 20 4.856 -12.734 -0.816 1.00 0.00 N ATOM 256 CA ALA A 20 3.893 -13.284 0.131 1.00 0.00 C ATOM 257 C ALA A 20 3.458 -14.686 -0.281 1.00 0.00 C ATOM 258 O ALA A 20 3.828 -15.174 -1.349 1.00 0.00 O ATOM 259 CB ALA A 20 2.685 -12.367 0.247 1.00 0.00 C ATOM 0 H ALA A 20 5.025 -13.320 -1.634 1.00 0.00 H new ATOM 0 HA ALA A 20 4.377 -13.354 1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.974 -12.790 0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.006 -11.385 0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.208 -12.268 -0.728 1.00 0.00 H new ATOM 265 N VAL A 21 2.671 -15.332 0.575 1.00 0.00 N ATOM 266 CA VAL A 21 2.186 -16.679 0.300 1.00 0.00 C ATOM 267 C VAL A 21 0.693 -16.672 -0.010 1.00 0.00 C ATOM 268 O VAL A 21 -0.068 -15.903 0.576 1.00 0.00 O ATOM 269 CB VAL A 21 2.448 -17.623 1.488 1.00 0.00 C ATOM 270 CG1 VAL A 21 1.992 -19.036 1.157 1.00 0.00 C ATOM 271 CG2 VAL A 21 3.921 -17.605 1.867 1.00 0.00 C ATOM 0 H VAL A 21 2.356 -14.944 1.464 1.00 0.00 H new ATOM 0 HA VAL A 21 2.733 -17.042 -0.570 1.00 0.00 H new ATOM 0 HB VAL A 21 1.872 -17.271 2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.185 -19.689 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.924 -19.032 0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.540 -19.401 0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.088 -18.278 2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.520 -17.932 1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.212 -16.593 2.148 1.00 0.00 H new ATOM 281 N GLU A 22 0.281 -17.535 -0.934 1.00 0.00 N ATOM 282 CA GLU A 22 -1.121 -17.627 -1.321 1.00 0.00 C ATOM 283 C GLU A 22 -2.019 -17.731 -0.091 1.00 0.00 C ATOM 284 O GLU A 22 -1.648 -18.337 0.913 1.00 0.00 O ATOM 285 CB GLU A 22 -1.343 -18.836 -2.232 1.00 0.00 C ATOM 286 CG GLU A 22 -0.971 -18.582 -3.683 1.00 0.00 C ATOM 287 CD GLU A 22 -1.609 -19.578 -4.632 1.00 0.00 C ATOM 288 OE1 GLU A 22 -1.199 -20.758 -4.615 1.00 0.00 O ATOM 289 OE2 GLU A 22 -2.516 -19.178 -5.391 1.00 0.00 O ATOM 0 H GLU A 22 0.898 -18.180 -1.428 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.382 -16.719 -1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.757 -19.675 -1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.391 -19.131 -2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.277 -17.573 -3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.113 -18.627 -3.790 1.00 0.00 H new ATOM 296 N GLY A 23 -3.205 -17.135 -0.179 1.00 0.00 N ATOM 297 CA GLY A 23 -4.137 -17.171 0.932 1.00 0.00 C ATOM 298 C GLY A 23 -3.842 -16.108 1.972 1.00 0.00 C ATOM 299 O GLY A 23 -4.754 -15.583 2.608 1.00 0.00 O ATOM 0 H GLY A 23 -3.536 -16.628 -1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.151 -17.035 0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.100 -18.154 1.401 1.00 0.00 H new ATOM 303 N ALA A 24 -2.563 -15.791 2.145 1.00 0.00 N ATOM 304 CA ALA A 24 -2.150 -14.784 3.114 1.00 0.00 C ATOM 305 C ALA A 24 -2.609 -13.393 2.690 1.00 0.00 C ATOM 306 O ALA A 24 -3.320 -13.238 1.696 1.00 0.00 O ATOM 307 CB ALA A 24 -0.639 -14.811 3.293 1.00 0.00 C ATOM 0 H ALA A 24 -1.795 -16.217 1.626 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.622 -15.019 4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.345 -14.054 4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.332 -15.794 3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.156 -14.605 2.338 1.00 0.00 H new ATOM 313 N THR A 25 -2.199 -12.382 3.450 1.00 0.00 N ATOM 314 CA THR A 25 -2.570 -11.004 3.153 1.00 0.00 C ATOM 315 C THR A 25 -1.334 -10.132 2.958 1.00 0.00 C ATOM 316 O THR A 25 -0.604 -9.852 3.908 1.00 0.00 O ATOM 317 CB THR A 25 -3.437 -10.402 4.275 1.00 0.00 C ATOM 318 OG1 THR A 25 -4.492 -11.307 4.618 1.00 0.00 O ATOM 319 CG2 THR A 25 -4.027 -9.067 3.846 1.00 0.00 C ATOM 0 H THR A 25 -1.610 -12.492 4.276 1.00 0.00 H new ATOM 0 HA THR A 25 -3.147 -11.024 2.229 1.00 0.00 H new ATOM 0 HB THR A 25 -2.802 -10.238 5.146 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.037 -10.918 5.333 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.635 -8.661 4.654 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.221 -8.371 3.614 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.648 -9.211 2.962 1.00 0.00 H new ATOM 327 N ALA A 26 -1.107 -9.705 1.720 1.00 0.00 N ATOM 328 CA ALA A 26 0.039 -8.862 1.402 1.00 0.00 C ATOM 329 C ALA A 26 0.141 -7.687 2.368 1.00 0.00 C ATOM 330 O ALA A 26 -0.700 -7.522 3.251 1.00 0.00 O ATOM 331 CB ALA A 26 -0.057 -8.362 -0.032 1.00 0.00 C ATOM 0 H ALA A 26 -1.701 -9.929 0.922 1.00 0.00 H new ATOM 0 HA ALA A 26 0.942 -9.463 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.805 -7.734 -0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.074 -9.212 -0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.971 -7.781 -0.154 1.00 0.00 H new ATOM 337 N MET A 27 1.178 -6.873 2.194 1.00 0.00 N ATOM 338 CA MET A 27 1.389 -5.712 3.051 1.00 0.00 C ATOM 339 C MET A 27 2.194 -4.639 2.325 1.00 0.00 C ATOM 340 O MET A 27 3.404 -4.777 2.136 1.00 0.00 O ATOM 341 CB MET A 27 2.111 -6.125 4.336 1.00 0.00 C ATOM 342 CG MET A 27 2.433 -4.957 5.253 1.00 0.00 C ATOM 343 SD MET A 27 1.006 -4.410 6.210 1.00 0.00 S ATOM 344 CE MET A 27 0.359 -3.122 5.147 1.00 0.00 C ATOM 0 H MET A 27 1.884 -6.996 1.468 1.00 0.00 H new ATOM 0 HA MET A 27 0.413 -5.298 3.307 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.492 -6.841 4.877 1.00 0.00 H new ATOM 0 HB3 MET A 27 3.037 -6.637 4.074 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.233 -5.245 5.934 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.806 -4.124 4.657 1.00 0.00 H new ATOM 0 HE1 MET A 27 0.242 -2.202 5.720 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.050 -2.950 4.322 1.00 0.00 H new ATOM 0 HE3 MET A 27 -0.609 -3.429 4.751 1.00 0.00 H new ATOM 354 N LEU A 28 1.516 -3.572 1.918 1.00 0.00 N ATOM 355 CA LEU A 28 2.169 -2.475 1.211 1.00 0.00 C ATOM 356 C LEU A 28 1.936 -1.149 1.930 1.00 0.00 C ATOM 357 O LEU A 28 0.797 -0.775 2.210 1.00 0.00 O ATOM 358 CB LEU A 28 1.650 -2.387 -0.225 1.00 0.00 C ATOM 359 CG LEU A 28 1.980 -3.573 -1.131 1.00 0.00 C ATOM 360 CD1 LEU A 28 1.012 -3.635 -2.303 1.00 0.00 C ATOM 361 CD2 LEU A 28 3.416 -3.482 -1.627 1.00 0.00 C ATOM 0 H LEU A 28 0.515 -3.443 2.065 1.00 0.00 H new ATOM 0 HA LEU A 28 3.240 -2.674 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.567 -2.271 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.054 -1.483 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 28 1.875 -4.490 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.262 -4.485 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.005 -3.748 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.085 -2.716 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.633 -4.334 -2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.548 -2.559 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.096 -3.488 -0.775 1.00 0.00 H new ATOM 373 N TRP A 29 3.022 -0.443 2.223 1.00 0.00 N ATOM 374 CA TRP A 29 2.936 0.842 2.907 1.00 0.00 C ATOM 375 C TRP A 29 3.832 1.877 2.236 1.00 0.00 C ATOM 376 O TRP A 29 4.703 1.532 1.436 1.00 0.00 O ATOM 377 CB TRP A 29 3.326 0.687 4.378 1.00 0.00 C ATOM 378 CG TRP A 29 4.788 0.426 4.580 1.00 0.00 C ATOM 379 CD1 TRP A 29 5.402 -0.792 4.642 1.00 0.00 C ATOM 380 CD2 TRP A 29 5.819 1.406 4.748 1.00 0.00 C ATOM 381 NE1 TRP A 29 6.752 -0.629 4.839 1.00 0.00 N ATOM 382 CE2 TRP A 29 7.033 0.710 4.906 1.00 0.00 C ATOM 383 CE3 TRP A 29 5.835 2.803 4.778 1.00 0.00 C ATOM 384 CZ2 TRP A 29 8.248 1.365 5.093 1.00 0.00 C ATOM 385 CZ3 TRP A 29 7.040 3.451 4.964 1.00 0.00 C ATOM 386 CH2 TRP A 29 8.233 2.733 5.118 1.00 0.00 C ATOM 0 H TRP A 29 3.972 -0.738 1.998 1.00 0.00 H new ATOM 0 HA TRP A 29 1.905 1.189 2.847 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.048 1.592 4.918 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.754 -0.132 4.814 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.900 -1.744 4.550 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.434 -1.383 4.922 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.921 3.366 4.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.168 0.813 5.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.063 4.530 4.991 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.159 3.270 5.259 1.00 0.00 H new ATOM 397 N CYS A 30 3.616 3.145 2.567 1.00 0.00 N ATOM 398 CA CYS A 30 4.405 4.230 1.996 1.00 0.00 C ATOM 399 C CYS A 30 4.281 5.495 2.839 1.00 0.00 C ATOM 400 O CYS A 30 3.207 5.807 3.352 1.00 0.00 O ATOM 401 CB CYS A 30 3.957 4.513 0.561 1.00 0.00 C ATOM 402 SG CYS A 30 2.413 5.446 0.440 1.00 0.00 S ATOM 0 H CYS A 30 2.901 3.447 3.228 1.00 0.00 H new ATOM 0 HA CYS A 30 5.450 3.921 1.989 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.744 5.066 0.048 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.839 3.566 0.035 1.00 0.00 H new ATOM 0 HG CYS A 30 2.072 5.875 1.619 1.00 0.00 H new ATOM 408 N GLU A 31 5.388 6.218 2.978 1.00 0.00 N ATOM 409 CA GLU A 31 5.402 7.448 3.762 1.00 0.00 C ATOM 410 C GLU A 31 5.626 8.662 2.865 1.00 0.00 C ATOM 411 O GLU A 31 6.561 8.692 2.063 1.00 0.00 O ATOM 412 CB GLU A 31 6.493 7.383 4.833 1.00 0.00 C ATOM 413 CG GLU A 31 6.012 6.816 6.158 1.00 0.00 C ATOM 414 CD GLU A 31 7.155 6.441 7.081 1.00 0.00 C ATOM 415 OE1 GLU A 31 8.077 7.267 7.250 1.00 0.00 O ATOM 416 OE2 GLU A 31 7.129 5.322 7.635 1.00 0.00 O ATOM 0 H GLU A 31 6.285 5.974 2.559 1.00 0.00 H new ATOM 0 HA GLU A 31 4.432 7.551 4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.317 6.772 4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.888 8.385 4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.376 7.549 6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.397 5.936 5.971 1.00 0.00 H new ATOM 423 N LEU A 32 4.762 9.661 3.005 1.00 0.00 N ATOM 424 CA LEU A 32 4.864 10.878 2.208 1.00 0.00 C ATOM 425 C LEU A 32 5.353 12.046 3.058 1.00 0.00 C ATOM 426 O LEU A 32 5.599 11.896 4.254 1.00 0.00 O ATOM 427 CB LEU A 32 3.509 11.218 1.585 1.00 0.00 C ATOM 428 CG LEU A 32 2.807 10.080 0.843 1.00 0.00 C ATOM 429 CD1 LEU A 32 2.094 9.163 1.824 1.00 0.00 C ATOM 430 CD2 LEU A 32 1.827 10.635 -0.180 1.00 0.00 C ATOM 0 H LEU A 32 3.983 9.652 3.663 1.00 0.00 H new ATOM 0 HA LEU A 32 5.589 10.703 1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.847 11.573 2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.649 12.046 0.890 1.00 0.00 H new ATOM 0 HG LEU A 32 3.561 9.497 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.600 8.359 1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.819 8.738 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.351 9.733 2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.337 9.811 -0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.077 11.242 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.364 11.250 -0.902 1.00 0.00 H new ATOM 442 N SER A 33 5.490 13.211 2.431 1.00 0.00 N ATOM 443 CA SER A 33 5.952 14.405 3.129 1.00 0.00 C ATOM 444 C SER A 33 4.834 15.004 3.977 1.00 0.00 C ATOM 445 O SER A 33 5.067 15.898 4.791 1.00 0.00 O ATOM 446 CB SER A 33 6.459 15.443 2.127 1.00 0.00 C ATOM 447 OG SER A 33 7.069 16.537 2.791 1.00 0.00 O ATOM 0 H SER A 33 5.288 13.353 1.441 1.00 0.00 H new ATOM 0 HA SER A 33 6.771 14.117 3.788 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.176 14.979 1.449 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.629 15.800 1.517 1.00 0.00 H new ATOM 0 HG SER A 33 6.734 16.590 3.711 1.00 0.00 H new ATOM 453 N LYS A 34 3.618 14.505 3.781 1.00 0.00 N ATOM 454 CA LYS A 34 2.462 14.988 4.527 1.00 0.00 C ATOM 455 C LYS A 34 1.256 14.080 4.309 1.00 0.00 C ATOM 456 O LYS A 34 1.069 13.530 3.224 1.00 0.00 O ATOM 457 CB LYS A 34 2.120 16.419 4.106 1.00 0.00 C ATOM 458 CG LYS A 34 1.415 16.506 2.764 1.00 0.00 C ATOM 459 CD LYS A 34 0.644 17.808 2.622 1.00 0.00 C ATOM 460 CE LYS A 34 -0.579 17.637 1.735 1.00 0.00 C ATOM 461 NZ LYS A 34 -1.762 17.163 2.505 1.00 0.00 N ATOM 0 H LYS A 34 3.408 13.765 3.111 1.00 0.00 H new ATOM 0 HA LYS A 34 2.714 14.978 5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.487 16.872 4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.038 17.005 4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.148 16.427 1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.732 15.664 2.656 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.335 18.158 3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.296 18.574 2.202 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.815 18.587 1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.354 16.926 0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.574 17.059 1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.546 16.244 2.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.993 17.854 3.247 1.00 0.00 H new ATOM 475 N VAL A 35 0.440 13.929 5.347 1.00 0.00 N ATOM 476 CA VAL A 35 -0.750 13.090 5.268 1.00 0.00 C ATOM 477 C VAL A 35 -1.677 13.554 4.150 1.00 0.00 C ATOM 478 O VAL A 35 -2.384 14.551 4.290 1.00 0.00 O ATOM 479 CB VAL A 35 -1.527 13.091 6.598 1.00 0.00 C ATOM 480 CG1 VAL A 35 -1.828 14.516 7.039 1.00 0.00 C ATOM 481 CG2 VAL A 35 -2.809 12.283 6.467 1.00 0.00 C ATOM 0 H VAL A 35 0.581 14.377 6.253 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.409 12.077 5.056 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.906 12.623 7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.377 14.497 7.980 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.893 15.060 7.175 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.429 15.013 6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.345 12.295 7.416 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.437 12.720 5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.565 11.255 6.201 1.00 0.00 H new ATOM 491 N ALA A 36 -1.667 12.823 3.040 1.00 0.00 N ATOM 492 CA ALA A 36 -2.509 13.158 1.898 1.00 0.00 C ATOM 493 C ALA A 36 -3.311 11.947 1.433 1.00 0.00 C ATOM 494 O ALA A 36 -2.928 10.798 1.652 1.00 0.00 O ATOM 495 CB ALA A 36 -1.660 13.701 0.758 1.00 0.00 C ATOM 0 H ALA A 36 -1.086 11.996 2.907 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.213 13.929 2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.302 13.947 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.137 14.598 1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.933 12.948 0.455 1.00 0.00 H new ATOM 501 N PRO A 37 -4.451 12.209 0.776 1.00 0.00 N ATOM 502 CA PRO A 37 -5.331 11.152 0.267 1.00 0.00 C ATOM 503 C PRO A 37 -4.713 10.399 -0.906 1.00 0.00 C ATOM 504 O PRO A 37 -4.623 10.924 -2.016 1.00 0.00 O ATOM 505 CB PRO A 37 -6.577 11.917 -0.185 1.00 0.00 C ATOM 506 CG PRO A 37 -6.090 13.292 -0.487 1.00 0.00 C ATOM 507 CD PRO A 37 -4.969 13.555 0.480 1.00 0.00 C ATOM 0 HA PRO A 37 -5.532 10.390 1.020 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.028 11.455 -1.063 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.338 11.929 0.595 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.742 13.365 -1.517 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.889 14.024 -0.367 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.202 14.193 0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.324 14.056 1.381 1.00 0.00 H new ATOM 515 N VAL A 38 -4.289 9.165 -0.653 1.00 0.00 N ATOM 516 CA VAL A 38 -3.680 8.338 -1.689 1.00 0.00 C ATOM 517 C VAL A 38 -4.722 7.461 -2.374 1.00 0.00 C ATOM 518 O VAL A 38 -5.863 7.368 -1.922 1.00 0.00 O ATOM 519 CB VAL A 38 -2.570 7.441 -1.111 1.00 0.00 C ATOM 520 CG1 VAL A 38 -1.444 8.288 -0.536 1.00 0.00 C ATOM 521 CG2 VAL A 38 -3.137 6.505 -0.054 1.00 0.00 C ATOM 0 H VAL A 38 -4.356 8.716 0.260 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.243 9.018 -2.421 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.160 6.834 -1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.669 7.637 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.020 8.912 -1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.836 8.922 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.338 5.879 0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.575 7.091 0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.905 5.874 -0.501 1.00 0.00 H new ATOM 531 N GLU A 39 -4.321 6.818 -3.466 1.00 0.00 N ATOM 532 CA GLU A 39 -5.221 5.948 -4.214 1.00 0.00 C ATOM 533 C GLU A 39 -4.478 4.727 -4.749 1.00 0.00 C ATOM 534 O GLU A 39 -3.701 4.828 -5.699 1.00 0.00 O ATOM 535 CB GLU A 39 -5.864 6.715 -5.371 1.00 0.00 C ATOM 536 CG GLU A 39 -6.427 8.067 -4.966 1.00 0.00 C ATOM 537 CD GLU A 39 -7.605 8.489 -5.823 1.00 0.00 C ATOM 538 OE1 GLU A 39 -8.330 7.599 -6.315 1.00 0.00 O ATOM 539 OE2 GLU A 39 -7.801 9.710 -6.001 1.00 0.00 O ATOM 0 H GLU A 39 -3.379 6.883 -3.852 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.003 5.607 -3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.122 6.860 -6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.665 6.110 -5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.737 8.029 -3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.642 8.820 -5.038 1.00 0.00 H new ATOM 546 N TRP A 40 -4.721 3.577 -4.133 1.00 0.00 N ATOM 547 CA TRP A 40 -4.075 2.336 -4.546 1.00 0.00 C ATOM 548 C TRP A 40 -4.729 1.775 -5.804 1.00 0.00 C ATOM 549 O TRP A 40 -5.953 1.776 -5.931 1.00 0.00 O ATOM 550 CB TRP A 40 -4.137 1.304 -3.420 1.00 0.00 C ATOM 551 CG TRP A 40 -3.647 1.829 -2.105 1.00 0.00 C ATOM 552 CD1 TRP A 40 -4.308 2.677 -1.262 1.00 0.00 C ATOM 553 CD2 TRP A 40 -2.389 1.544 -1.483 1.00 0.00 C ATOM 554 NE1 TRP A 40 -3.538 2.935 -0.154 1.00 0.00 N ATOM 555 CE2 TRP A 40 -2.356 2.251 -0.265 1.00 0.00 C ATOM 556 CE3 TRP A 40 -1.289 0.758 -1.835 1.00 0.00 C ATOM 557 CZ2 TRP A 40 -1.265 2.196 0.598 1.00 0.00 C ATOM 558 CZ3 TRP A 40 -0.207 0.704 -0.977 1.00 0.00 C ATOM 559 CH2 TRP A 40 -0.201 1.419 0.228 1.00 0.00 C ATOM 0 H TRP A 40 -5.361 3.477 -3.345 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.031 2.556 -4.769 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.166 0.963 -3.306 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.542 0.435 -3.700 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.292 3.085 -1.441 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.803 3.538 0.625 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.284 0.202 -2.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.259 2.747 1.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.649 0.100 -1.240 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.660 1.356 0.877 1.00 0.00 H new ATOM 570 N ARG A 41 -3.905 1.295 -6.730 1.00 0.00 N ATOM 571 CA ARG A 41 -4.405 0.731 -7.979 1.00 0.00 C ATOM 572 C ARG A 41 -3.511 -0.409 -8.456 1.00 0.00 C ATOM 573 O ARG A 41 -2.372 -0.548 -8.011 1.00 0.00 O ATOM 574 CB ARG A 41 -4.487 1.815 -9.056 1.00 0.00 C ATOM 575 CG ARG A 41 -5.744 2.664 -8.970 1.00 0.00 C ATOM 576 CD ARG A 41 -5.639 3.905 -9.843 1.00 0.00 C ATOM 577 NE ARG A 41 -6.130 3.664 -11.198 1.00 0.00 N ATOM 578 CZ ARG A 41 -6.334 4.629 -12.087 1.00 0.00 C ATOM 579 NH1 ARG A 41 -6.091 5.893 -11.768 1.00 0.00 N ATOM 580 NH2 ARG A 41 -6.782 4.331 -13.300 1.00 0.00 N ATOM 0 H ARG A 41 -2.889 1.285 -6.639 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.404 0.334 -7.796 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.615 2.463 -8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.443 1.344 -10.038 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.606 2.072 -9.279 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.915 2.959 -7.935 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.209 4.716 -9.390 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.600 4.231 -9.887 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.327 2.703 -11.476 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.746 6.127 -10.837 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.249 6.631 -12.454 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.970 3.360 -13.550 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.938 5.073 -13.982 1.00 0.00 H new ATOM 594 N LYS A 42 -4.035 -1.224 -9.366 1.00 0.00 N ATOM 595 CA LYS A 42 -3.286 -2.352 -9.906 1.00 0.00 C ATOM 596 C LYS A 42 -3.378 -2.389 -11.428 1.00 0.00 C ATOM 597 O LYS A 42 -4.277 -3.013 -11.990 1.00 0.00 O ATOM 598 CB LYS A 42 -3.809 -3.665 -9.320 1.00 0.00 C ATOM 599 CG LYS A 42 -3.028 -4.887 -9.771 1.00 0.00 C ATOM 600 CD LYS A 42 -3.354 -6.103 -8.921 1.00 0.00 C ATOM 601 CE LYS A 42 -2.222 -7.119 -8.944 1.00 0.00 C ATOM 602 NZ LYS A 42 -0.894 -6.475 -8.743 1.00 0.00 N ATOM 0 H LYS A 42 -4.977 -1.124 -9.745 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.240 -2.228 -9.627 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.778 -3.605 -8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.855 -3.788 -9.602 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.256 -5.100 -10.815 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.960 -4.678 -9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.543 -5.790 -7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.270 -6.568 -9.286 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.386 -7.863 -8.165 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.228 -7.648 -9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.169 -7.209 -8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.658 -5.899 -9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.927 -5.867 -7.900 1.00 0.00 H new ATOM 616 N GLY A 43 -2.442 -1.716 -12.090 1.00 0.00 N ATOM 617 CA GLY A 43 -2.436 -1.686 -13.541 1.00 0.00 C ATOM 618 C GLY A 43 -3.783 -1.300 -14.118 1.00 0.00 C ATOM 619 O GLY A 43 -4.295 -0.206 -13.879 1.00 0.00 O ATOM 0 H GLY A 43 -1.688 -1.191 -11.647 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.681 -0.978 -13.884 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.149 -2.667 -13.920 1.00 0.00 H new ATOM 623 N PRO A 44 -4.380 -2.212 -14.900 1.00 0.00 N ATOM 624 CA PRO A 44 -5.683 -1.983 -15.531 1.00 0.00 C ATOM 625 C PRO A 44 -6.822 -1.964 -14.517 1.00 0.00 C ATOM 626 O PRO A 44 -7.861 -1.347 -14.750 1.00 0.00 O ATOM 627 CB PRO A 44 -5.832 -3.174 -16.480 1.00 0.00 C ATOM 628 CG PRO A 44 -4.983 -4.243 -15.883 1.00 0.00 C ATOM 629 CD PRO A 44 -3.828 -3.537 -15.229 1.00 0.00 C ATOM 0 HA PRO A 44 -5.730 -1.015 -16.030 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.872 -3.491 -16.557 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.501 -2.921 -17.487 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.546 -4.828 -15.155 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.634 -4.937 -16.648 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.488 -4.063 -14.337 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.972 -3.461 -15.900 1.00 0.00 H new ATOM 637 N GLU A 45 -6.619 -2.643 -13.393 1.00 0.00 N ATOM 638 CA GLU A 45 -7.630 -2.704 -12.344 1.00 0.00 C ATOM 639 C GLU A 45 -7.606 -1.439 -11.491 1.00 0.00 C ATOM 640 O GLU A 45 -6.724 -0.594 -11.640 1.00 0.00 O ATOM 641 CB GLU A 45 -7.408 -3.933 -11.460 1.00 0.00 C ATOM 642 CG GLU A 45 -8.142 -5.172 -11.945 1.00 0.00 C ATOM 643 CD GLU A 45 -8.089 -6.310 -10.945 1.00 0.00 C ATOM 644 OE1 GLU A 45 -8.714 -6.185 -9.870 1.00 0.00 O ATOM 645 OE2 GLU A 45 -7.423 -7.326 -11.235 1.00 0.00 O ATOM 0 H GLU A 45 -5.764 -3.159 -13.185 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.607 -2.781 -12.821 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.341 -4.148 -11.413 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.732 -3.703 -10.445 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.183 -4.918 -12.146 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.707 -5.502 -12.888 1.00 0.00 H new ATOM 652 N ASN A 46 -8.582 -1.316 -10.597 1.00 0.00 N ATOM 653 CA ASN A 46 -8.673 -0.154 -9.720 1.00 0.00 C ATOM 654 C ASN A 46 -9.058 -0.571 -8.303 1.00 0.00 C ATOM 655 O ASN A 46 -10.182 -1.010 -8.057 1.00 0.00 O ATOM 656 CB ASN A 46 -9.697 0.843 -10.266 1.00 0.00 C ATOM 657 CG ASN A 46 -10.799 0.166 -11.057 1.00 0.00 C ATOM 658 OD1 ASN A 46 -11.016 0.472 -12.229 1.00 0.00 O ATOM 659 ND2 ASN A 46 -11.503 -0.760 -10.416 1.00 0.00 N ATOM 0 H ASN A 46 -9.321 -2.006 -10.461 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.693 0.323 -9.686 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.137 1.398 -9.437 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.190 1.568 -10.902 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.258 -1.249 -10.896 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.288 -0.982 -9.444 1.00 0.00 H new ATOM 666 N LEU A 47 -8.118 -0.430 -7.376 1.00 0.00 N ATOM 667 CA LEU A 47 -8.357 -0.791 -5.983 1.00 0.00 C ATOM 668 C LEU A 47 -8.907 0.397 -5.199 1.00 0.00 C ATOM 669 O LEU A 47 -8.877 1.533 -5.673 1.00 0.00 O ATOM 670 CB LEU A 47 -7.065 -1.290 -5.335 1.00 0.00 C ATOM 671 CG LEU A 47 -6.156 -2.144 -6.219 1.00 0.00 C ATOM 672 CD1 LEU A 47 -4.855 -2.461 -5.500 1.00 0.00 C ATOM 673 CD2 LEU A 47 -6.866 -3.426 -6.631 1.00 0.00 C ATOM 0 H LEU A 47 -7.183 -0.068 -7.563 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.098 -1.590 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.497 -0.425 -4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.327 -1.870 -4.450 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.920 -1.577 -7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.222 -3.070 -6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.339 -1.533 -5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.070 -3.009 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.205 -4.022 -7.260 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.132 -3.997 -5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.770 -3.179 -7.187 1.00 0.00 H new ATOM 685 N ARG A 48 -9.407 0.127 -3.998 1.00 0.00 N ATOM 686 CA ARG A 48 -9.963 1.173 -3.149 1.00 0.00 C ATOM 687 C ARG A 48 -10.331 0.620 -1.775 1.00 0.00 C ATOM 688 O ARG A 48 -10.440 -0.592 -1.592 1.00 0.00 O ATOM 689 CB ARG A 48 -11.196 1.794 -3.808 1.00 0.00 C ATOM 690 CG ARG A 48 -12.274 0.781 -4.157 1.00 0.00 C ATOM 691 CD ARG A 48 -13.543 1.463 -4.645 1.00 0.00 C ATOM 692 NE ARG A 48 -14.218 2.193 -3.575 1.00 0.00 N ATOM 693 CZ ARG A 48 -15.382 2.815 -3.730 1.00 0.00 C ATOM 694 NH1 ARG A 48 -15.995 2.796 -4.905 1.00 0.00 N ATOM 695 NH2 ARG A 48 -15.933 3.457 -2.709 1.00 0.00 N ATOM 0 H ARG A 48 -9.438 -0.808 -3.591 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.203 1.943 -3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.617 2.544 -3.138 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.890 2.314 -4.716 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.904 0.105 -4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.500 0.173 -3.281 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.297 2.151 -5.454 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.221 0.716 -5.057 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.771 2.227 -2.659 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.573 2.303 -5.692 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.888 3.274 -5.022 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.463 3.474 -1.804 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.826 3.934 -2.829 1.00 0.00 H new ATOM 709 N ASP A 49 -10.520 1.517 -0.813 1.00 0.00 N ATOM 710 CA ASP A 49 -10.876 1.119 0.544 1.00 0.00 C ATOM 711 C ASP A 49 -12.200 0.363 0.558 1.00 0.00 C ATOM 712 O ASP A 49 -13.269 0.960 0.441 1.00 0.00 O ATOM 713 CB ASP A 49 -10.966 2.348 1.451 1.00 0.00 C ATOM 714 CG ASP A 49 -12.046 3.315 1.009 1.00 0.00 C ATOM 715 OD1 ASP A 49 -12.278 3.428 -0.212 1.00 0.00 O ATOM 716 OD2 ASP A 49 -12.659 3.961 1.886 1.00 0.00 O ATOM 0 H ASP A 49 -10.433 2.524 -0.948 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.096 0.456 0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.165 2.028 2.474 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.004 2.861 1.460 1.00 0.00 H new ATOM 721 N GLY A 50 -12.121 -0.957 0.702 1.00 0.00 N ATOM 722 CA GLY A 50 -13.320 -1.774 0.728 1.00 0.00 C ATOM 723 C GLY A 50 -13.212 -2.931 1.701 1.00 0.00 C ATOM 724 O GLY A 50 -12.235 -3.039 2.442 1.00 0.00 O ATOM 0 H GLY A 50 -11.248 -1.475 0.801 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.173 -1.153 1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.514 -2.161 -0.272 1.00 0.00 H new ATOM 728 N ASP A 51 -14.218 -3.798 1.700 1.00 0.00 N ATOM 729 CA ASP A 51 -14.233 -4.954 2.590 1.00 0.00 C ATOM 730 C ASP A 51 -12.980 -5.802 2.399 1.00 0.00 C ATOM 731 O ASP A 51 -12.144 -5.903 3.298 1.00 0.00 O ATOM 732 CB ASP A 51 -15.481 -5.801 2.339 1.00 0.00 C ATOM 733 CG ASP A 51 -15.783 -6.741 3.490 1.00 0.00 C ATOM 734 OD1 ASP A 51 -14.877 -7.502 3.887 1.00 0.00 O ATOM 735 OD2 ASP A 51 -16.927 -6.717 3.992 1.00 0.00 O ATOM 0 H ASP A 51 -15.034 -3.723 1.093 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.251 -4.591 3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.336 -5.144 2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.346 -6.381 1.426 1.00 0.00 H new ATOM 740 N ARG A 52 -12.857 -6.412 1.225 1.00 0.00 N ATOM 741 CA ARG A 52 -11.707 -7.254 0.918 1.00 0.00 C ATOM 742 C ARG A 52 -10.409 -6.458 1.017 1.00 0.00 C ATOM 743 O ARG A 52 -9.408 -6.948 1.540 1.00 0.00 O ATOM 744 CB ARG A 52 -11.846 -7.852 -0.484 1.00 0.00 C ATOM 745 CG ARG A 52 -12.007 -6.809 -1.578 1.00 0.00 C ATOM 746 CD ARG A 52 -12.268 -7.455 -2.929 1.00 0.00 C ATOM 747 NE ARG A 52 -11.178 -8.341 -3.331 1.00 0.00 N ATOM 748 CZ ARG A 52 -10.954 -8.706 -4.588 1.00 0.00 C ATOM 749 NH1 ARG A 52 -11.738 -8.263 -5.561 1.00 0.00 N ATOM 750 NH2 ARG A 52 -9.942 -9.516 -4.875 1.00 0.00 N ATOM 0 H ARG A 52 -13.540 -6.339 0.471 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.674 -8.062 1.649 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.967 -8.459 -0.699 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.707 -8.520 -0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.831 -6.141 -1.327 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.107 -6.197 -1.634 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.199 -8.021 -2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.401 -6.679 -3.683 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.555 -8.699 -2.607 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.516 -7.640 -5.345 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.563 -8.545 -6.525 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.336 -9.859 -4.130 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.771 -9.796 -5.841 1.00 0.00 H new ATOM 764 N TYR A 53 -10.434 -5.231 0.510 1.00 0.00 N ATOM 765 CA TYR A 53 -9.258 -4.368 0.539 1.00 0.00 C ATOM 766 C TYR A 53 -9.255 -3.493 1.788 1.00 0.00 C ATOM 767 O TYR A 53 -9.959 -2.484 1.855 1.00 0.00 O ATOM 768 CB TYR A 53 -9.214 -3.490 -0.713 1.00 0.00 C ATOM 769 CG TYR A 53 -8.913 -4.258 -1.981 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.618 -4.666 -2.278 1.00 0.00 C ATOM 771 CD2 TYR A 53 -9.922 -4.574 -2.881 1.00 0.00 C ATOM 772 CE1 TYR A 53 -7.338 -5.366 -3.435 1.00 0.00 C ATOM 773 CE2 TYR A 53 -9.652 -5.276 -4.040 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.358 -5.670 -4.313 1.00 0.00 C ATOM 775 OH TYR A 53 -8.085 -6.367 -5.466 1.00 0.00 O ATOM 0 H TYR A 53 -11.255 -4.811 0.074 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.372 -5.003 0.561 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.172 -2.982 -0.824 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.457 -2.717 -0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.817 -4.432 -1.592 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.936 -4.266 -2.671 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.326 -5.674 -3.651 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.449 -5.515 -4.728 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.914 -6.499 -5.972 1.00 0.00 H new ATOM 785 N ILE A 54 -8.458 -3.886 2.776 1.00 0.00 N ATOM 786 CA ILE A 54 -8.361 -3.137 4.022 1.00 0.00 C ATOM 787 C ILE A 54 -7.308 -2.038 3.923 1.00 0.00 C ATOM 788 O ILE A 54 -6.110 -2.298 4.046 1.00 0.00 O ATOM 789 CB ILE A 54 -8.015 -4.058 5.207 1.00 0.00 C ATOM 790 CG1 ILE A 54 -9.105 -5.115 5.394 1.00 0.00 C ATOM 791 CG2 ILE A 54 -7.838 -3.242 6.479 1.00 0.00 C ATOM 792 CD1 ILE A 54 -8.689 -6.260 6.290 1.00 0.00 C ATOM 0 H ILE A 54 -7.870 -4.719 2.737 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.338 -2.686 4.196 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.075 -4.566 4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.992 -4.640 5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.386 -5.511 4.418 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.594 -3.907 7.307 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.030 -2.523 6.341 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.763 -2.710 6.702 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.511 -6.971 6.377 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.820 -6.760 5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.436 -5.875 7.278 1.00 0.00 H new ATOM 804 N LEU A 55 -7.762 -0.810 3.702 1.00 0.00 N ATOM 805 CA LEU A 55 -6.859 0.331 3.588 1.00 0.00 C ATOM 806 C LEU A 55 -6.865 1.160 4.868 1.00 0.00 C ATOM 807 O LEU A 55 -7.900 1.310 5.517 1.00 0.00 O ATOM 808 CB LEU A 55 -7.258 1.206 2.398 1.00 0.00 C ATOM 809 CG LEU A 55 -7.022 0.603 1.013 1.00 0.00 C ATOM 810 CD1 LEU A 55 -7.922 -0.603 0.795 1.00 0.00 C ATOM 811 CD2 LEU A 55 -7.254 1.648 -0.069 1.00 0.00 C ATOM 0 H LEU A 55 -8.750 -0.578 3.598 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.850 -0.050 3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.316 1.450 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.708 2.145 2.462 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.985 0.271 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.740 -1.019 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.707 -1.359 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.965 -0.297 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.082 1.202 -1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.280 2.010 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.566 2.481 0.076 1.00 0.00 H new ATOM 823 N ARG A 56 -5.703 1.697 5.225 1.00 0.00 N ATOM 824 CA ARG A 56 -5.574 2.512 6.427 1.00 0.00 C ATOM 825 C ARG A 56 -4.567 3.638 6.215 1.00 0.00 C ATOM 826 O ARG A 56 -3.726 3.570 5.319 1.00 0.00 O ATOM 827 CB ARG A 56 -5.145 1.646 7.612 1.00 0.00 C ATOM 828 CG ARG A 56 -6.297 0.919 8.285 1.00 0.00 C ATOM 829 CD ARG A 56 -5.811 0.039 9.426 1.00 0.00 C ATOM 830 NE ARG A 56 -6.833 -0.137 10.455 1.00 0.00 N ATOM 831 CZ ARG A 56 -7.230 0.835 11.269 1.00 0.00 C ATOM 832 NH1 ARG A 56 -6.696 2.044 11.174 1.00 0.00 N ATOM 833 NH2 ARG A 56 -8.165 0.597 12.180 1.00 0.00 N ATOM 0 H ARG A 56 -4.837 1.582 4.699 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.547 2.954 6.642 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.415 0.913 7.269 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.644 2.275 8.348 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.015 1.646 8.665 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.821 0.308 7.551 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.520 -0.935 9.034 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.920 0.482 9.872 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.265 -1.056 10.554 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.978 2.231 10.474 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.003 2.788 11.801 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.579 -0.332 12.255 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.470 1.343 12.805 1.00 0.00 H new ATOM 847 N GLN A 57 -4.661 4.673 7.044 1.00 0.00 N ATOM 848 CA GLN A 57 -3.758 5.814 6.946 1.00 0.00 C ATOM 849 C GLN A 57 -3.673 6.556 8.276 1.00 0.00 C ATOM 850 O GLN A 57 -4.641 7.179 8.712 1.00 0.00 O ATOM 851 CB GLN A 57 -4.226 6.767 5.845 1.00 0.00 C ATOM 852 CG GLN A 57 -3.297 7.951 5.631 1.00 0.00 C ATOM 853 CD GLN A 57 -3.824 8.927 4.597 1.00 0.00 C ATOM 854 OE1 GLN A 57 -5.019 8.947 4.298 1.00 0.00 O ATOM 855 NE2 GLN A 57 -2.934 9.743 4.045 1.00 0.00 N ATOM 0 H GLN A 57 -5.353 4.745 7.790 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.765 5.440 6.696 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.317 6.213 4.911 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.221 7.136 6.094 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.155 8.472 6.578 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.318 7.588 5.317 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.954 9.692 4.323 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.230 10.421 3.343 1.00 0.00 H new ATOM 864 N GLU A 58 -2.510 6.485 8.915 1.00 0.00 N ATOM 865 CA GLU A 58 -2.300 7.149 10.195 1.00 0.00 C ATOM 866 C GLU A 58 -1.423 8.387 10.029 1.00 0.00 C ATOM 867 O GLU A 58 -0.568 8.673 10.866 1.00 0.00 O ATOM 868 CB GLU A 58 -1.658 6.187 11.196 1.00 0.00 C ATOM 869 CG GLU A 58 -2.636 5.193 11.800 1.00 0.00 C ATOM 870 CD GLU A 58 -3.383 5.761 12.991 1.00 0.00 C ATOM 871 OE1 GLU A 58 -4.347 6.526 12.778 1.00 0.00 O ATOM 872 OE2 GLU A 58 -3.004 5.439 14.137 1.00 0.00 O ATOM 0 H GLU A 58 -1.699 5.974 8.567 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.272 7.462 10.576 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.858 5.639 10.698 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.198 6.764 11.998 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.353 4.886 11.039 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.095 4.298 12.108 1.00 0.00 H new ATOM 879 N GLY A 59 -1.643 9.119 8.940 1.00 0.00 N ATOM 880 CA GLY A 59 -0.865 10.316 8.682 1.00 0.00 C ATOM 881 C GLY A 59 -0.147 10.265 7.349 1.00 0.00 C ATOM 882 O GLY A 59 -0.747 9.944 6.322 1.00 0.00 O ATOM 0 H GLY A 59 -2.346 8.904 8.233 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.523 11.185 8.704 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.134 10.450 9.480 1.00 0.00 H new ATOM 886 N THR A 60 1.144 10.584 7.361 1.00 0.00 N ATOM 887 CA THR A 60 1.945 10.575 6.143 1.00 0.00 C ATOM 888 C THR A 60 2.190 9.152 5.656 1.00 0.00 C ATOM 889 O THR A 60 2.580 8.937 4.508 1.00 0.00 O ATOM 890 CB THR A 60 3.301 11.273 6.358 1.00 0.00 C ATOM 891 OG1 THR A 60 4.105 10.512 7.267 1.00 0.00 O ATOM 892 CG2 THR A 60 3.106 12.680 6.902 1.00 0.00 C ATOM 0 H THR A 60 1.657 10.852 8.201 1.00 0.00 H new ATOM 0 HA THR A 60 1.379 11.121 5.388 1.00 0.00 H new ATOM 0 HB THR A 60 3.806 11.340 5.395 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.966 10.961 7.397 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.078 13.153 7.046 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.519 13.265 6.195 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.582 12.632 7.856 1.00 0.00 H new ATOM 900 N ARG A 61 1.959 8.182 6.536 1.00 0.00 N ATOM 901 CA ARG A 61 2.156 6.779 6.194 1.00 0.00 C ATOM 902 C ARG A 61 0.824 6.105 5.876 1.00 0.00 C ATOM 903 O ARG A 61 -0.188 6.369 6.527 1.00 0.00 O ATOM 904 CB ARG A 61 2.849 6.045 7.344 1.00 0.00 C ATOM 905 CG ARG A 61 2.980 4.547 7.119 1.00 0.00 C ATOM 906 CD ARG A 61 3.139 3.798 8.433 1.00 0.00 C ATOM 907 NE ARG A 61 2.895 2.367 8.279 1.00 0.00 N ATOM 908 CZ ARG A 61 3.792 1.516 7.791 1.00 0.00 C ATOM 909 NH1 ARG A 61 4.985 1.952 7.412 1.00 0.00 N ATOM 910 NH2 ARG A 61 3.495 0.228 7.683 1.00 0.00 N ATOM 0 H ARG A 61 1.636 8.343 7.490 1.00 0.00 H new ATOM 0 HA ARG A 61 2.788 6.732 5.308 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.842 6.470 7.489 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.290 6.218 8.264 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.099 4.179 6.593 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.840 4.348 6.479 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.146 3.955 8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.447 4.207 9.169 1.00 0.00 H new ATOM 0 HE ARG A 61 1.986 2.000 8.561 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.216 2.942 7.495 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.672 1.297 7.038 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.578 -0.110 7.974 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.184 -0.425 7.308 1.00 0.00 H new ATOM 924 N CYS A 62 0.832 5.235 4.873 1.00 0.00 N ATOM 925 CA CYS A 62 -0.375 4.524 4.467 1.00 0.00 C ATOM 926 C CYS A 62 -0.163 3.014 4.526 1.00 0.00 C ATOM 927 O CYS A 62 0.959 2.530 4.382 1.00 0.00 O ATOM 928 CB CYS A 62 -0.786 4.939 3.054 1.00 0.00 C ATOM 929 SG CYS A 62 -0.652 6.714 2.737 1.00 0.00 S ATOM 0 H CYS A 62 1.661 5.005 4.325 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.173 4.788 5.161 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.165 4.405 2.335 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.816 4.627 2.880 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.761 7.147 2.215 1.00 0.00 H new ATOM 935 N GLU A 63 -1.248 2.277 4.740 1.00 0.00 N ATOM 936 CA GLU A 63 -1.180 0.823 4.820 1.00 0.00 C ATOM 937 C GLU A 63 -2.260 0.179 3.956 1.00 0.00 C ATOM 938 O GLU A 63 -3.425 0.575 4.000 1.00 0.00 O ATOM 939 CB GLU A 63 -1.331 0.362 6.272 1.00 0.00 C ATOM 940 CG GLU A 63 -0.311 0.978 7.215 1.00 0.00 C ATOM 941 CD GLU A 63 -0.739 0.901 8.668 1.00 0.00 C ATOM 942 OE1 GLU A 63 -1.618 0.072 8.985 1.00 0.00 O ATOM 943 OE2 GLU A 63 -0.194 1.669 9.487 1.00 0.00 O ATOM 0 H GLU A 63 -2.184 2.663 4.861 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.205 0.510 4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.333 0.611 6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.240 -0.724 6.311 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.645 0.468 7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.152 2.021 6.942 1.00 0.00 H new ATOM 950 N LEU A 64 -1.864 -0.816 3.169 1.00 0.00 N ATOM 951 CA LEU A 64 -2.797 -1.516 2.293 1.00 0.00 C ATOM 952 C LEU A 64 -2.728 -3.024 2.518 1.00 0.00 C ATOM 953 O LEU A 64 -1.656 -3.623 2.440 1.00 0.00 O ATOM 954 CB LEU A 64 -2.493 -1.193 0.829 1.00 0.00 C ATOM 955 CG LEU A 64 -2.965 -2.223 -0.198 1.00 0.00 C ATOM 956 CD1 LEU A 64 -4.469 -2.126 -0.399 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.235 -2.031 -1.519 1.00 0.00 C ATOM 0 H LEU A 64 -0.904 -1.156 3.120 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.805 -1.177 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.949 -0.233 0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.415 -1.070 0.721 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.734 -3.218 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.786 -2.866 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.975 -2.313 0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.725 -1.128 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.583 -2.772 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.435 -1.031 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.163 -2.152 -1.363 1.00 0.00 H new ATOM 969 N GLN A 65 -3.879 -3.629 2.794 1.00 0.00 N ATOM 970 CA GLN A 65 -3.948 -5.066 3.028 1.00 0.00 C ATOM 971 C GLN A 65 -4.885 -5.736 2.028 1.00 0.00 C ATOM 972 O GLN A 65 -6.061 -5.383 1.932 1.00 0.00 O ATOM 973 CB GLN A 65 -4.419 -5.350 4.455 1.00 0.00 C ATOM 974 CG GLN A 65 -3.284 -5.458 5.460 1.00 0.00 C ATOM 975 CD GLN A 65 -3.705 -5.059 6.861 1.00 0.00 C ATOM 976 OE1 GLN A 65 -4.167 -3.940 7.087 1.00 0.00 O ATOM 977 NE2 GLN A 65 -3.548 -5.974 7.810 1.00 0.00 N ATOM 0 H GLN A 65 -4.775 -3.147 2.861 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.948 -5.479 2.894 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.097 -4.557 4.769 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.989 -6.279 4.462 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.913 -6.483 5.474 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.458 -4.824 5.139 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.161 -6.889 7.578 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.814 -5.762 8.772 1.00 0.00 H new ATOM 986 N ILE A 66 -4.357 -6.703 1.285 1.00 0.00 N ATOM 987 CA ILE A 66 -5.146 -7.421 0.293 1.00 0.00 C ATOM 988 C ILE A 66 -5.604 -8.773 0.829 1.00 0.00 C ATOM 989 O ILE A 66 -4.875 -9.763 0.751 1.00 0.00 O ATOM 990 CB ILE A 66 -4.352 -7.640 -1.008 1.00 0.00 C ATOM 991 CG1 ILE A 66 -3.764 -6.317 -1.502 1.00 0.00 C ATOM 992 CG2 ILE A 66 -5.242 -8.261 -2.074 1.00 0.00 C ATOM 993 CD1 ILE A 66 -2.541 -6.487 -2.374 1.00 0.00 C ATOM 0 H ILE A 66 -3.386 -7.007 1.352 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.018 -6.804 0.077 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.531 -8.327 -0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.527 -5.776 -2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.504 -5.701 -0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.666 -8.409 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.616 -9.222 -1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.082 -7.597 -2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.179 -5.508 -2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.761 -7.000 -1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.800 -7.076 -3.254 1.00 0.00 H new ATOM 1005 N CYS A 67 -6.816 -8.808 1.372 1.00 0.00 N ATOM 1006 CA CYS A 67 -7.373 -10.040 1.920 1.00 0.00 C ATOM 1007 C CYS A 67 -7.617 -11.065 0.818 1.00 0.00 C ATOM 1008 O CYS A 67 -8.337 -10.799 -0.143 1.00 0.00 O ATOM 1009 CB CYS A 67 -8.680 -9.748 2.660 1.00 0.00 C ATOM 1010 SG CYS A 67 -9.127 -10.997 3.889 1.00 0.00 S ATOM 0 H CYS A 67 -7.432 -7.998 1.445 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.650 -10.455 2.623 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.597 -8.780 3.155 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.487 -9.665 1.932 1.00 0.00 H new ATOM 0 HG CYS A 67 -10.244 -10.661 4.462 1.00 0.00 H new ATOM 1016 N GLY A 68 -7.009 -12.239 0.964 1.00 0.00 N ATOM 1017 CA GLY A 68 -7.171 -13.286 -0.028 1.00 0.00 C ATOM 1018 C GLY A 68 -6.152 -13.188 -1.146 1.00 0.00 C ATOM 1019 O GLY A 68 -6.459 -12.700 -2.235 1.00 0.00 O ATOM 0 H GLY A 68 -6.408 -12.483 1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.082 -14.258 0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.175 -13.231 -0.449 1.00 0.00 H new ATOM 1023 N LEU A 69 -4.936 -13.650 -0.879 1.00 0.00 N ATOM 1024 CA LEU A 69 -3.867 -13.611 -1.871 1.00 0.00 C ATOM 1025 C LEU A 69 -3.969 -14.795 -2.828 1.00 0.00 C ATOM 1026 O LEU A 69 -4.615 -15.797 -2.524 1.00 0.00 O ATOM 1027 CB LEU A 69 -2.503 -13.615 -1.179 1.00 0.00 C ATOM 1028 CG LEU A 69 -2.023 -12.270 -0.633 1.00 0.00 C ATOM 1029 CD1 LEU A 69 -0.744 -12.446 0.171 1.00 0.00 C ATOM 1030 CD2 LEU A 69 -1.810 -11.279 -1.768 1.00 0.00 C ATOM 0 H LEU A 69 -4.665 -14.056 0.017 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.972 -12.692 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.538 -14.327 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.760 -13.983 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.792 -11.873 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.417 -11.478 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.930 -13.121 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.033 -12.865 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.468 -10.327 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.060 -11.669 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.749 -11.129 -2.301 1.00 0.00 H new ATOM 1042 N ALA A 70 -3.325 -14.671 -3.984 1.00 0.00 N ATOM 1043 CA ALA A 70 -3.339 -15.732 -4.983 1.00 0.00 C ATOM 1044 C ALA A 70 -2.424 -15.394 -6.155 1.00 0.00 C ATOM 1045 O ALA A 70 -2.117 -14.228 -6.399 1.00 0.00 O ATOM 1046 CB ALA A 70 -4.759 -15.977 -5.472 1.00 0.00 C ATOM 0 H ALA A 70 -2.787 -13.847 -4.251 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.965 -16.643 -4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.755 -16.772 -6.218 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.388 -16.271 -4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.153 -15.064 -5.917 1.00 0.00 H new ATOM 1052 N MET A 71 -1.992 -16.422 -6.878 1.00 0.00 N ATOM 1053 CA MET A 71 -1.112 -16.233 -8.025 1.00 0.00 C ATOM 1054 C MET A 71 -1.496 -14.979 -8.804 1.00 0.00 C ATOM 1055 O MET A 71 -0.637 -14.295 -9.360 1.00 0.00 O ATOM 1056 CB MET A 71 -1.167 -17.455 -8.945 1.00 0.00 C ATOM 1057 CG MET A 71 -0.630 -18.724 -8.302 1.00 0.00 C ATOM 1058 SD MET A 71 1.145 -18.926 -8.543 1.00 0.00 S ATOM 1059 CE MET A 71 1.767 -18.372 -6.957 1.00 0.00 C ATOM 0 H MET A 71 -2.237 -17.394 -6.690 1.00 0.00 H new ATOM 0 HA MET A 71 -0.094 -16.112 -7.654 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.199 -17.622 -9.253 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.595 -17.245 -9.849 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.848 -18.706 -7.234 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.150 -19.586 -8.719 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.783 -18.741 -6.816 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.769 -17.282 -6.927 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.128 -18.755 -6.162 1.00 0.00 H new ATOM 1069 N ALA A 72 -2.791 -14.682 -8.838 1.00 0.00 N ATOM 1070 CA ALA A 72 -3.287 -13.509 -9.547 1.00 0.00 C ATOM 1071 C ALA A 72 -2.774 -12.223 -8.907 1.00 0.00 C ATOM 1072 O ALA A 72 -2.262 -11.339 -9.594 1.00 0.00 O ATOM 1073 CB ALA A 72 -4.808 -13.515 -9.577 1.00 0.00 C ATOM 0 H ALA A 72 -3.515 -15.238 -8.383 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.914 -13.549 -10.570 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.165 -12.633 -10.109 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.158 -14.413 -10.086 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.192 -13.503 -8.557 1.00 0.00 H new ATOM 1079 N ASP A 73 -2.916 -12.126 -7.590 1.00 0.00 N ATOM 1080 CA ASP A 73 -2.466 -10.948 -6.858 1.00 0.00 C ATOM 1081 C ASP A 73 -1.076 -10.520 -7.318 1.00 0.00 C ATOM 1082 O ASP A 73 -0.794 -9.330 -7.450 1.00 0.00 O ATOM 1083 CB ASP A 73 -2.455 -11.229 -5.354 1.00 0.00 C ATOM 1084 CG ASP A 73 -3.833 -11.567 -4.819 1.00 0.00 C ATOM 1085 OD1 ASP A 73 -4.399 -12.594 -5.247 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -4.344 -10.804 -3.972 1.00 0.00 O ATOM 0 H ASP A 73 -3.339 -12.849 -7.008 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.163 -10.135 -7.063 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.775 -12.055 -5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.067 -10.357 -4.827 1.00 0.00 H new ATOM 1091 N ALA A 74 -0.210 -11.500 -7.558 1.00 0.00 N ATOM 1092 CA ALA A 74 1.150 -11.225 -8.004 1.00 0.00 C ATOM 1093 C ALA A 74 1.153 -10.320 -9.232 1.00 0.00 C ATOM 1094 O ALA A 74 0.786 -10.743 -10.327 1.00 0.00 O ATOM 1095 CB ALA A 74 1.881 -12.525 -8.303 1.00 0.00 C ATOM 0 H ALA A 74 -0.427 -12.491 -7.451 1.00 0.00 H new ATOM 0 HA ALA A 74 1.671 -10.705 -7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.895 -12.304 -8.635 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.919 -13.136 -7.401 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.353 -13.067 -9.087 1.00 0.00 H new ATOM 1101 N GLY A 75 1.569 -9.072 -9.040 1.00 0.00 N ATOM 1102 CA GLY A 75 1.611 -8.127 -10.141 1.00 0.00 C ATOM 1103 C GLY A 75 2.317 -6.838 -9.772 1.00 0.00 C ATOM 1104 O GLY A 75 3.281 -6.848 -9.007 1.00 0.00 O ATOM 0 H GLY A 75 1.878 -8.699 -8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.118 -8.585 -10.990 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.594 -7.902 -10.461 1.00 0.00 H new ATOM 1108 N GLU A 76 1.838 -5.724 -10.318 1.00 0.00 N ATOM 1109 CA GLU A 76 2.432 -4.422 -10.043 1.00 0.00 C ATOM 1110 C GLU A 76 1.392 -3.457 -9.480 1.00 0.00 C ATOM 1111 O GLU A 76 0.417 -3.117 -10.151 1.00 0.00 O ATOM 1112 CB GLU A 76 3.048 -3.838 -11.316 1.00 0.00 C ATOM 1113 CG GLU A 76 3.259 -2.335 -11.257 1.00 0.00 C ATOM 1114 CD GLU A 76 4.254 -1.844 -12.291 1.00 0.00 C ATOM 1115 OE1 GLU A 76 4.096 -2.195 -13.479 1.00 0.00 O ATOM 1116 OE2 GLU A 76 5.190 -1.109 -11.912 1.00 0.00 O ATOM 0 H GLU A 76 1.040 -5.698 -10.953 1.00 0.00 H new ATOM 0 HA GLU A 76 3.216 -4.560 -9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.006 -4.324 -11.502 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.402 -4.073 -12.162 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.304 -1.832 -11.409 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.609 -2.060 -10.262 1.00 0.00 H new ATOM 1123 N TYR A 77 1.607 -3.021 -8.244 1.00 0.00 N ATOM 1124 CA TYR A 77 0.688 -2.098 -7.589 1.00 0.00 C ATOM 1125 C TYR A 77 1.201 -0.664 -7.675 1.00 0.00 C ATOM 1126 O TYR A 77 2.408 -0.427 -7.743 1.00 0.00 O ATOM 1127 CB TYR A 77 0.492 -2.494 -6.124 1.00 0.00 C ATOM 1128 CG TYR A 77 -0.213 -3.820 -5.944 1.00 0.00 C ATOM 1129 CD1 TYR A 77 0.437 -5.017 -6.218 1.00 0.00 C ATOM 1130 CD2 TYR A 77 -1.529 -3.875 -5.502 1.00 0.00 C ATOM 1131 CE1 TYR A 77 -0.203 -6.230 -6.056 1.00 0.00 C ATOM 1132 CE2 TYR A 77 -2.176 -5.083 -5.336 1.00 0.00 C ATOM 1133 CZ TYR A 77 -1.510 -6.258 -5.614 1.00 0.00 C ATOM 1134 OH TYR A 77 -2.152 -7.464 -5.451 1.00 0.00 O ATOM 0 H TYR A 77 2.409 -3.292 -7.676 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.270 -2.153 -8.105 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.465 -2.540 -5.636 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.081 -1.716 -5.620 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.460 -4.999 -6.564 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.055 -2.957 -5.285 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.316 -7.151 -6.274 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.199 -5.108 -4.990 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.769 -8.124 -6.066 1.00 0.00 H new ATOM 1144 N LEU A 78 0.277 0.290 -7.671 1.00 0.00 N ATOM 1145 CA LEU A 78 0.634 1.702 -7.748 1.00 0.00 C ATOM 1146 C LEU A 78 -0.152 2.519 -6.727 1.00 0.00 C ATOM 1147 O LEU A 78 -1.332 2.261 -6.487 1.00 0.00 O ATOM 1148 CB LEU A 78 0.373 2.238 -9.157 1.00 0.00 C ATOM 1149 CG LEU A 78 1.374 1.815 -10.232 1.00 0.00 C ATOM 1150 CD1 LEU A 78 0.931 0.519 -10.894 1.00 0.00 C ATOM 1151 CD2 LEU A 78 1.541 2.916 -11.269 1.00 0.00 C ATOM 0 H LEU A 78 -0.726 0.111 -7.615 1.00 0.00 H new ATOM 0 HA LEU A 78 1.696 1.796 -7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.621 1.917 -9.468 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.357 3.327 -9.113 1.00 0.00 H new ATOM 0 HG LEU A 78 2.339 1.644 -9.755 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.656 0.234 -11.656 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.865 -0.269 -10.144 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.045 0.662 -11.357 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.257 2.597 -12.026 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.580 3.120 -11.741 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.906 3.821 -10.783 1.00 0.00 H new ATOM 1163 N CYS A 79 0.509 3.505 -6.131 1.00 0.00 N ATOM 1164 CA CYS A 79 -0.128 4.361 -5.137 1.00 0.00 C ATOM 1165 C CYS A 79 -0.107 5.820 -5.582 1.00 0.00 C ATOM 1166 O CYS A 79 0.917 6.496 -5.485 1.00 0.00 O ATOM 1167 CB CYS A 79 0.574 4.218 -3.786 1.00 0.00 C ATOM 1168 SG CYS A 79 -0.271 5.055 -2.423 1.00 0.00 S ATOM 0 H CYS A 79 1.486 3.731 -6.319 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.166 4.046 -5.034 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.666 3.159 -3.547 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.586 4.615 -3.870 1.00 0.00 H new ATOM 0 HG CYS A 79 0.557 5.219 -1.434 1.00 0.00 H new ATOM 1174 N VAL A 80 -1.246 6.299 -6.074 1.00 0.00 N ATOM 1175 CA VAL A 80 -1.359 7.678 -6.535 1.00 0.00 C ATOM 1176 C VAL A 80 -1.853 8.592 -5.420 1.00 0.00 C ATOM 1177 O VAL A 80 -2.880 8.325 -4.794 1.00 0.00 O ATOM 1178 CB VAL A 80 -2.314 7.790 -7.738 1.00 0.00 C ATOM 1179 CG1 VAL A 80 -2.198 9.162 -8.386 1.00 0.00 C ATOM 1180 CG2 VAL A 80 -2.030 6.689 -8.749 1.00 0.00 C ATOM 0 H VAL A 80 -2.103 5.753 -6.163 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.361 7.992 -6.842 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.336 7.668 -7.380 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.880 9.223 -9.234 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.455 9.931 -7.658 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.176 9.316 -8.731 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.714 6.784 -9.592 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.003 6.777 -9.104 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.169 5.717 -8.277 1.00 0.00 H new ATOM 1190 N CYS A 81 -1.118 9.671 -5.177 1.00 0.00 N ATOM 1191 CA CYS A 81 -1.481 10.626 -4.136 1.00 0.00 C ATOM 1192 C CYS A 81 -1.680 12.019 -4.722 1.00 0.00 C ATOM 1193 O CYS A 81 -0.853 12.909 -4.529 1.00 0.00 O ATOM 1194 CB CYS A 81 -0.404 10.664 -3.051 1.00 0.00 C ATOM 1195 SG CYS A 81 -0.774 11.786 -1.683 1.00 0.00 S ATOM 0 H CYS A 81 -0.267 9.907 -5.687 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.422 10.301 -3.692 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -0.267 9.658 -2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.542 10.960 -3.504 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.989 12.981 -2.148 1.00 0.00 H new ATOM 1201 N GLY A 82 -2.783 12.202 -5.442 1.00 0.00 N ATOM 1202 CA GLY A 82 -3.070 13.489 -6.047 1.00 0.00 C ATOM 1203 C GLY A 82 -2.371 13.672 -7.380 1.00 0.00 C ATOM 1204 O GLY A 82 -2.892 13.270 -8.420 1.00 0.00 O ATOM 0 H GLY A 82 -3.483 11.481 -5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.146 13.589 -6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.763 14.283 -5.367 1.00 0.00 H new ATOM 1208 N GLN A 83 -1.190 14.280 -7.349 1.00 0.00 N ATOM 1209 CA GLN A 83 -0.420 14.516 -8.565 1.00 0.00 C ATOM 1210 C GLN A 83 0.730 13.522 -8.683 1.00 0.00 C ATOM 1211 O GLN A 83 1.140 13.161 -9.786 1.00 0.00 O ATOM 1212 CB GLN A 83 0.121 15.946 -8.581 1.00 0.00 C ATOM 1213 CG GLN A 83 -0.943 16.997 -8.852 1.00 0.00 C ATOM 1214 CD GLN A 83 -1.781 17.309 -7.628 1.00 0.00 C ATOM 1215 OE1 GLN A 83 -2.780 16.641 -7.359 1.00 0.00 O ATOM 1216 NE2 GLN A 83 -1.378 18.328 -6.878 1.00 0.00 N ATOM 0 H GLN A 83 -0.745 14.618 -6.496 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.084 14.377 -9.418 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.593 16.158 -7.621 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.898 16.023 -9.342 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.464 17.911 -9.202 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -1.594 16.651 -9.655 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.544 18.854 -7.138 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -1.902 18.584 -6.042 1.00 0.00 H new ATOM 1225 N GLU A 84 1.248 13.085 -7.540 1.00 0.00 N ATOM 1226 CA GLU A 84 2.353 12.134 -7.516 1.00 0.00 C ATOM 1227 C GLU A 84 1.836 10.702 -7.401 1.00 0.00 C ATOM 1228 O GLU A 84 0.653 10.477 -7.148 1.00 0.00 O ATOM 1229 CB GLU A 84 3.296 12.442 -6.352 1.00 0.00 C ATOM 1230 CG GLU A 84 4.022 13.770 -6.492 1.00 0.00 C ATOM 1231 CD GLU A 84 4.364 14.098 -7.932 1.00 0.00 C ATOM 1232 OE1 GLU A 84 5.272 13.445 -8.490 1.00 0.00 O ATOM 1233 OE2 GLU A 84 3.726 15.007 -8.502 1.00 0.00 O ATOM 0 H GLU A 84 0.920 13.374 -6.618 1.00 0.00 H new ATOM 0 HA GLU A 84 2.901 12.230 -8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.725 12.446 -5.424 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.032 11.642 -6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.400 14.565 -6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.938 13.743 -5.902 1.00 0.00 H new ATOM 1240 N ARG A 85 2.732 9.739 -7.589 1.00 0.00 N ATOM 1241 CA ARG A 85 2.368 8.330 -7.508 1.00 0.00 C ATOM 1242 C ARG A 85 3.601 7.441 -7.637 1.00 0.00 C ATOM 1243 O ARG A 85 4.644 7.874 -8.128 1.00 0.00 O ATOM 1244 CB ARG A 85 1.357 7.979 -8.602 1.00 0.00 C ATOM 1245 CG ARG A 85 1.930 8.052 -10.007 1.00 0.00 C ATOM 1246 CD ARG A 85 2.498 6.712 -10.448 1.00 0.00 C ATOM 1247 NE ARG A 85 3.913 6.580 -10.111 1.00 0.00 N ATOM 1248 CZ ARG A 85 4.871 7.322 -10.656 1.00 0.00 C ATOM 1249 NH1 ARG A 85 4.567 8.243 -11.559 1.00 0.00 N ATOM 1250 NH2 ARG A 85 6.136 7.143 -10.297 1.00 0.00 N ATOM 0 H ARG A 85 3.716 9.909 -7.799 1.00 0.00 H new ATOM 0 HA ARG A 85 1.915 8.154 -6.533 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.978 6.972 -8.425 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.507 8.657 -8.530 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.151 8.365 -10.703 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.713 8.810 -10.043 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.936 5.907 -9.975 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.370 6.601 -11.525 1.00 0.00 H new ATOM 0 HE ARG A 85 4.180 5.880 -9.419 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.596 8.384 -11.837 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.304 8.811 -11.976 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.374 6.435 -9.602 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.871 7.713 -10.716 1.00 0.00 H new ATOM 1264 N THR A 86 3.475 6.194 -7.193 1.00 0.00 N ATOM 1265 CA THR A 86 4.579 5.245 -7.257 1.00 0.00 C ATOM 1266 C THR A 86 4.101 3.877 -7.732 1.00 0.00 C ATOM 1267 O THR A 86 2.906 3.663 -7.934 1.00 0.00 O ATOM 1268 CB THR A 86 5.265 5.088 -5.887 1.00 0.00 C ATOM 1269 OG1 THR A 86 6.247 4.048 -5.946 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.245 4.769 -4.804 1.00 0.00 C ATOM 0 H THR A 86 2.619 5.818 -6.785 1.00 0.00 H new ATOM 0 HA THR A 86 5.298 5.645 -7.972 1.00 0.00 H new ATOM 0 HB THR A 86 5.751 6.032 -5.639 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.885 4.159 -5.211 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.753 4.663 -3.846 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.517 5.577 -4.741 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.734 3.838 -5.049 1.00 0.00 H new ATOM 1278 N SER A 87 5.042 2.955 -7.908 1.00 0.00 N ATOM 1279 CA SER A 87 4.717 1.608 -8.362 1.00 0.00 C ATOM 1280 C SER A 87 5.621 0.576 -7.695 1.00 0.00 C ATOM 1281 O SER A 87 6.759 0.874 -7.333 1.00 0.00 O ATOM 1282 CB SER A 87 4.852 1.514 -9.883 1.00 0.00 C ATOM 1283 OG SER A 87 6.179 1.791 -10.296 1.00 0.00 O ATOM 0 H SER A 87 6.036 3.116 -7.743 1.00 0.00 H new ATOM 0 HA SER A 87 3.685 1.396 -8.082 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.565 0.516 -10.216 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.166 2.217 -10.356 1.00 0.00 H new ATOM 0 HG SER A 87 6.239 1.723 -11.272 1.00 0.00 H new ATOM 1289 N ALA A 88 5.106 -0.638 -7.537 1.00 0.00 N ATOM 1290 CA ALA A 88 5.867 -1.716 -6.916 1.00 0.00 C ATOM 1291 C ALA A 88 5.532 -3.061 -7.551 1.00 0.00 C ATOM 1292 O ALA A 88 4.705 -3.142 -8.460 1.00 0.00 O ATOM 1293 CB ALA A 88 5.599 -1.756 -5.419 1.00 0.00 C ATOM 0 H ALA A 88 4.165 -0.900 -7.830 1.00 0.00 H new ATOM 0 HA ALA A 88 6.927 -1.520 -7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.173 -2.565 -4.968 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.895 -0.807 -4.971 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.536 -1.924 -5.244 1.00 0.00 H new ATOM 1299 N THR A 89 6.180 -4.116 -7.068 1.00 0.00 N ATOM 1300 CA THR A 89 5.953 -5.458 -7.589 1.00 0.00 C ATOM 1301 C THR A 89 5.757 -6.462 -6.459 1.00 0.00 C ATOM 1302 O THR A 89 6.659 -6.683 -5.649 1.00 0.00 O ATOM 1303 CB THR A 89 7.124 -5.922 -8.476 1.00 0.00 C ATOM 1304 OG1 THR A 89 7.380 -4.951 -9.497 1.00 0.00 O ATOM 1305 CG2 THR A 89 6.819 -7.269 -9.114 1.00 0.00 C ATOM 0 H THR A 89 6.867 -4.067 -6.316 1.00 0.00 H new ATOM 0 HA THR A 89 5.046 -5.413 -8.192 1.00 0.00 H new ATOM 0 HB THR A 89 8.008 -6.028 -7.847 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.127 -5.253 -10.056 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.660 -7.576 -9.736 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.654 -8.012 -8.334 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.924 -7.185 -9.730 1.00 0.00 H new ATOM 1313 N LEU A 90 4.576 -7.067 -6.409 1.00 0.00 N ATOM 1314 CA LEU A 90 4.262 -8.049 -5.377 1.00 0.00 C ATOM 1315 C LEU A 90 4.516 -9.467 -5.880 1.00 0.00 C ATOM 1316 O LEU A 90 4.297 -9.771 -7.053 1.00 0.00 O ATOM 1317 CB LEU A 90 2.805 -7.906 -4.935 1.00 0.00 C ATOM 1318 CG LEU A 90 2.338 -8.867 -3.842 1.00 0.00 C ATOM 1319 CD1 LEU A 90 3.157 -8.674 -2.575 1.00 0.00 C ATOM 1320 CD2 LEU A 90 0.856 -8.671 -3.556 1.00 0.00 C ATOM 0 H LEU A 90 3.819 -6.895 -7.071 1.00 0.00 H new ATOM 0 HA LEU A 90 4.914 -7.863 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.651 -6.886 -4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.166 -8.042 -5.808 1.00 0.00 H new ATOM 0 HG LEU A 90 2.488 -9.887 -4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.810 -9.367 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.208 -8.866 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.040 -7.650 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.541 -9.364 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.682 -7.647 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.282 -8.862 -4.463 1.00 0.00 H new ATOM 1332 N THR A 91 4.978 -10.333 -4.983 1.00 0.00 N ATOM 1333 CA THR A 91 5.260 -11.719 -5.335 1.00 0.00 C ATOM 1334 C THR A 91 4.440 -12.681 -4.482 1.00 0.00 C ATOM 1335 O THR A 91 4.359 -12.529 -3.263 1.00 0.00 O ATOM 1336 CB THR A 91 6.755 -12.048 -5.165 1.00 0.00 C ATOM 1337 OG1 THR A 91 7.512 -11.449 -6.223 1.00 0.00 O ATOM 1338 CG2 THR A 91 6.982 -13.553 -5.162 1.00 0.00 C ATOM 0 H THR A 91 5.165 -10.099 -4.008 1.00 0.00 H new ATOM 0 HA THR A 91 4.985 -11.841 -6.383 1.00 0.00 H new ATOM 0 HB THR A 91 7.086 -11.645 -4.208 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.462 -11.661 -6.107 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.045 -13.760 -5.041 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.428 -14.003 -4.338 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.635 -13.975 -6.105 1.00 0.00 H new ATOM 1346 N ILE A 92 3.834 -13.670 -5.131 1.00 0.00 N ATOM 1347 CA ILE A 92 3.022 -14.657 -4.431 1.00 0.00 C ATOM 1348 C ILE A 92 3.710 -16.018 -4.406 1.00 0.00 C ATOM 1349 O ILE A 92 4.325 -16.431 -5.389 1.00 0.00 O ATOM 1350 CB ILE A 92 1.634 -14.808 -5.081 1.00 0.00 C ATOM 1351 CG1 ILE A 92 0.936 -13.449 -5.164 1.00 0.00 C ATOM 1352 CG2 ILE A 92 0.787 -15.799 -4.297 1.00 0.00 C ATOM 1353 CD1 ILE A 92 1.044 -12.635 -3.894 1.00 0.00 C ATOM 0 H ILE A 92 3.890 -13.809 -6.140 1.00 0.00 H new ATOM 0 HA ILE A 92 2.899 -14.296 -3.410 1.00 0.00 H new ATOM 0 HB ILE A 92 1.762 -15.192 -6.093 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.365 -12.879 -5.988 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.117 -13.604 -5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.191 -15.895 -4.769 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.281 -16.771 -4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.663 -15.443 -3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.527 -11.685 -4.026 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.589 -13.185 -3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.094 -12.448 -3.670 1.00 0.00 H new ATOM 1365 N ARG A 93 3.601 -16.710 -3.277 1.00 0.00 N ATOM 1366 CA ARG A 93 4.212 -18.025 -3.124 1.00 0.00 C ATOM 1367 C ARG A 93 3.147 -19.115 -3.057 1.00 0.00 C ATOM 1368 O ARG A 93 2.381 -19.190 -2.097 1.00 0.00 O ATOM 1369 CB ARG A 93 5.078 -18.065 -1.864 1.00 0.00 C ATOM 1370 CG ARG A 93 6.488 -17.539 -2.077 1.00 0.00 C ATOM 1371 CD ARG A 93 7.388 -18.594 -2.700 1.00 0.00 C ATOM 1372 NE ARG A 93 7.928 -19.512 -1.702 1.00 0.00 N ATOM 1373 CZ ARG A 93 7.354 -20.664 -1.375 1.00 0.00 C ATOM 1374 NH1 ARG A 93 6.227 -21.037 -1.966 1.00 0.00 N ATOM 1375 NH2 ARG A 93 7.906 -21.446 -0.456 1.00 0.00 N ATOM 0 H ARG A 93 3.095 -16.382 -2.454 1.00 0.00 H new ATOM 0 HA ARG A 93 4.841 -18.209 -3.995 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.595 -17.479 -1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.133 -19.092 -1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.456 -16.660 -2.721 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.906 -17.220 -1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.825 -19.158 -3.444 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.209 -18.106 -3.225 1.00 0.00 H new ATOM 0 HE ARG A 93 8.794 -19.254 -1.229 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.800 -20.439 -2.673 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.788 -21.922 -1.714 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.773 -21.163 0.001 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.463 -22.330 -0.206 1.00 0.00 H new ATOM 1389 N ALA A 94 3.104 -19.957 -4.084 1.00 0.00 N ATOM 1390 CA ALA A 94 2.134 -21.044 -4.141 1.00 0.00 C ATOM 1391 C ALA A 94 2.241 -21.940 -2.912 1.00 0.00 C ATOM 1392 O ALA A 94 3.287 -22.537 -2.655 1.00 0.00 O ATOM 1393 CB ALA A 94 2.330 -21.860 -5.411 1.00 0.00 C ATOM 0 H ALA A 94 3.730 -19.907 -4.888 1.00 0.00 H new ATOM 0 HA ALA A 94 1.135 -20.607 -4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.599 -22.668 -5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.196 -21.217 -6.281 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.336 -22.280 -5.422 1.00 0.00 H new ATOM 1399 N LEU A 95 1.153 -22.029 -2.155 1.00 0.00 N ATOM 1400 CA LEU A 95 1.124 -22.853 -0.951 1.00 0.00 C ATOM 1401 C LEU A 95 1.410 -24.314 -1.284 1.00 0.00 C ATOM 1402 O LEU A 95 1.039 -24.819 -2.343 1.00 0.00 O ATOM 1403 CB LEU A 95 -0.235 -22.732 -0.259 1.00 0.00 C ATOM 1404 CG LEU A 95 -0.454 -21.467 0.572 1.00 0.00 C ATOM 1405 CD1 LEU A 95 -1.939 -21.232 0.804 1.00 0.00 C ATOM 1406 CD2 LEU A 95 0.286 -21.564 1.898 1.00 0.00 C ATOM 0 H LEU A 95 0.279 -21.541 -2.353 1.00 0.00 H new ATOM 0 HA LEU A 95 1.901 -22.495 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.014 -22.782 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.368 -23.597 0.391 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.054 -20.618 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.076 -20.328 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.443 -21.117 -0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.363 -22.083 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.118 -20.655 2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.083 -22.423 2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.353 -21.684 1.711 1.00 0.00 H new