USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 621 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 78 HIS : no HE2:sc= 0.445 K(o=1.8,f=-6.8!) USER MOD Set 1.2: B 208 THR OG1 : rot 92:sc= 1.35 USER MOD Single : A 13 THR OG1 : rot -14:sc= 0.348 USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= 2.13 (180deg=1.95) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -12:sc= 0.118 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.288 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -2.8! C(o=-2.8!,f=-2.3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 1.14 K(o=1.1,f=-5.6!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0559 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 77:sc= 0.276 USER MOD Single : A 87 ASN : amide:sc= -0.014 X(o=-0.014,f=-0.41) USER MOD Single : A 88 THR OG1 : rot -111:sc= 1.18 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0.171 K(o=0.17,f=-0.71) USER MOD Single : A 98 LYS NZ :NH3+ -167:sc= -0.0243 (180deg=-0.226) USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 13 -6.961 -7.872 -5.981 1.00 0.00 N ATOM 74 CA THR A 13 -6.055 -6.770 -6.059 1.00 0.00 C ATOM 75 C THR A 13 -6.762 -5.482 -6.309 1.00 0.00 C ATOM 76 O THR A 13 -7.394 -5.288 -7.346 1.00 0.00 O ATOM 77 CB THR A 13 -4.924 -6.936 -7.032 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.237 -7.818 -8.100 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.745 -7.571 -6.275 1.00 0.00 C ATOM 0 HA THR A 13 -5.594 -6.747 -5.071 1.00 0.00 H new ATOM 0 HB THR A 13 -4.703 -5.952 -7.446 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.052 -8.317 -7.884 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.905 -7.705 -6.956 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.446 -6.919 -5.454 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.047 -8.540 -5.877 1.00 0.00 H new ATOM 87 N PHE A 14 -6.666 -4.540 -5.354 1.00 0.00 N ATOM 88 CA PHE A 14 -7.197 -3.214 -5.436 1.00 0.00 C ATOM 89 C PHE A 14 -6.094 -2.233 -5.637 1.00 0.00 C ATOM 90 O PHE A 14 -5.024 -2.309 -5.035 1.00 0.00 O ATOM 91 CB PHE A 14 -8.184 -2.712 -4.368 1.00 0.00 C ATOM 92 CG PHE A 14 -7.963 -3.015 -2.926 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.651 -4.269 -2.458 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.211 -2.025 -2.004 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.490 -4.512 -1.114 1.00 0.00 C ATOM 96 CE2 PHE A 14 -8.052 -2.254 -0.657 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.680 -3.498 -0.205 1.00 0.00 C ATOM 0 H PHE A 14 -6.188 -4.715 -4.470 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.856 -3.295 -6.300 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.236 -1.627 -4.464 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.167 -3.103 -4.631 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.530 -5.080 -3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.536 -1.052 -2.343 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.214 -5.499 -0.773 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.220 -1.454 0.048 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.539 -3.676 0.851 1.00 0.00 H new ATOM 107 N GLU A 15 -6.331 -1.271 -6.548 1.00 0.00 N ATOM 108 CA GLU A 15 -5.372 -0.311 -6.997 1.00 0.00 C ATOM 109 C GLU A 15 -5.858 1.048 -6.628 1.00 0.00 C ATOM 110 O GLU A 15 -6.380 1.804 -7.446 1.00 0.00 O ATOM 111 CB GLU A 15 -5.171 -0.442 -8.517 1.00 0.00 C ATOM 112 CG GLU A 15 -4.692 -1.823 -8.971 1.00 0.00 C ATOM 113 CD GLU A 15 -5.012 -2.053 -10.441 1.00 0.00 C ATOM 114 OE1 GLU A 15 -4.556 -1.260 -11.306 1.00 0.00 O ATOM 115 OE2 GLU A 15 -5.721 -3.047 -10.753 1.00 0.00 O ATOM 0 H GLU A 15 -7.241 -1.158 -6.994 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.406 -0.484 -6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.112 -0.214 -9.017 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.448 0.306 -8.842 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.617 -1.910 -8.811 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.168 -2.595 -8.366 1.00 0.00 H new ATOM 122 N VAL A 16 -5.714 1.392 -5.336 1.00 0.00 N ATOM 123 CA VAL A 16 -6.219 2.568 -4.701 1.00 0.00 C ATOM 124 C VAL A 16 -5.279 3.714 -4.861 1.00 0.00 C ATOM 125 O VAL A 16 -4.081 3.525 -4.659 1.00 0.00 O ATOM 126 CB VAL A 16 -6.306 2.285 -3.230 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.922 3.476 -2.478 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.134 1.016 -2.967 1.00 0.00 C ATOM 0 H VAL A 16 -5.202 0.797 -4.684 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.181 2.821 -5.146 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.292 2.126 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.974 3.247 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.303 4.361 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.926 3.666 -2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.184 0.830 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.142 1.152 -3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.664 0.166 -3.461 1.00 0.00 H new ATOM 138 N GLU A 17 -5.702 4.956 -5.157 1.00 0.00 N ATOM 139 CA GLU A 17 -4.845 6.096 -5.043 1.00 0.00 C ATOM 140 C GLU A 17 -5.238 6.916 -3.862 1.00 0.00 C ATOM 141 O GLU A 17 -6.401 7.255 -3.655 1.00 0.00 O ATOM 142 CB GLU A 17 -4.703 6.935 -6.323 1.00 0.00 C ATOM 143 CG GLU A 17 -5.867 7.084 -7.305 1.00 0.00 C ATOM 144 CD GLU A 17 -7.134 7.741 -6.776 1.00 0.00 C ATOM 145 OE1 GLU A 17 -7.122 8.962 -6.467 1.00 0.00 O ATOM 146 OE2 GLU A 17 -8.183 7.044 -6.731 1.00 0.00 O ATOM 0 H GLU A 17 -6.646 5.172 -5.478 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.840 5.705 -4.886 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.416 7.940 -6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.864 6.522 -6.883 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.517 7.662 -8.161 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.128 6.092 -7.675 1.00 0.00 H new ATOM 153 N LEU A 18 -4.242 7.205 -3.005 1.00 0.00 N ATOM 154 CA LEU A 18 -4.420 7.911 -1.774 1.00 0.00 C ATOM 155 C LEU A 18 -3.527 9.103 -1.732 1.00 0.00 C ATOM 156 O LEU A 18 -2.318 9.020 -1.936 1.00 0.00 O ATOM 157 CB LEU A 18 -4.057 7.033 -0.563 1.00 0.00 C ATOM 158 CG LEU A 18 -4.903 5.751 -0.481 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.385 4.876 0.673 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.408 6.055 -0.397 1.00 0.00 C ATOM 0 H LEU A 18 -3.273 6.936 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.470 8.200 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.002 6.764 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.191 7.610 0.352 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.790 5.183 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.981 3.966 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.342 4.615 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.464 5.426 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.965 5.120 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.610 6.652 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.717 6.609 -1.283 1.00 0.00 H new ATOM 172 N ALA A 19 -4.113 10.274 -1.426 1.00 0.00 N ATOM 173 CA ALA A 19 -3.397 11.494 -1.215 1.00 0.00 C ATOM 174 C ALA A 19 -3.126 11.661 0.241 1.00 0.00 C ATOM 175 O ALA A 19 -3.930 12.199 1.000 1.00 0.00 O ATOM 176 CB ALA A 19 -4.165 12.683 -1.820 1.00 0.00 C ATOM 0 H ALA A 19 -5.123 10.375 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.436 11.457 -1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.605 13.602 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.290 12.528 -2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.144 12.762 -1.348 1.00 0.00 H new ATOM 182 N LYS A 20 -1.966 11.154 0.695 1.00 0.00 N ATOM 183 CA LYS A 20 -1.592 11.097 2.074 1.00 0.00 C ATOM 184 C LYS A 20 -1.465 12.414 2.760 1.00 0.00 C ATOM 185 O LYS A 20 -0.966 13.405 2.231 1.00 0.00 O ATOM 186 CB LYS A 20 -0.370 10.203 2.346 1.00 0.00 C ATOM 187 CG LYS A 20 0.733 10.173 1.287 1.00 0.00 C ATOM 188 CD LYS A 20 1.732 11.331 1.343 1.00 0.00 C ATOM 189 CE LYS A 20 2.990 10.936 0.568 1.00 0.00 C ATOM 190 NZ LYS A 20 4.047 11.969 0.647 1.00 0.00 N ATOM 0 H LYS A 20 -1.257 10.766 0.073 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.457 10.618 2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.077 10.521 3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.725 9.183 2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.283 9.237 1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.267 10.166 0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.291 12.231 0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.984 11.562 2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.375 9.995 0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.731 10.764 -0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.933 11.590 0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.757 12.805 0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.195 12.238 1.640 1.00 0.00 H new ATOM 204 N THR A 21 -1.988 12.459 3.999 1.00 0.00 N ATOM 205 CA THR A 21 -2.337 13.673 4.670 1.00 0.00 C ATOM 206 C THR A 21 -1.307 13.983 5.700 1.00 0.00 C ATOM 207 O THR A 21 -1.189 13.337 6.741 1.00 0.00 O ATOM 208 CB THR A 21 -3.759 13.647 5.146 1.00 0.00 C ATOM 209 OG1 THR A 21 -4.207 14.907 5.623 1.00 0.00 O ATOM 210 CG2 THR A 21 -4.076 12.574 6.201 1.00 0.00 C ATOM 0 H THR A 21 -2.174 11.622 4.552 1.00 0.00 H new ATOM 0 HA THR A 21 -2.321 14.516 3.979 1.00 0.00 H new ATOM 0 HB THR A 21 -4.306 13.381 4.242 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.139 14.833 5.918 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.128 12.637 6.480 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.869 11.586 5.789 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.457 12.737 7.083 1.00 0.00 H new ATOM 218 N ASP A 22 -0.453 14.977 5.400 1.00 0.00 N ATOM 219 CA ASP A 22 0.673 15.411 6.168 1.00 0.00 C ATOM 220 C ASP A 22 1.656 14.342 6.502 1.00 0.00 C ATOM 221 O ASP A 22 2.216 14.320 7.596 1.00 0.00 O ATOM 222 CB ASP A 22 0.264 16.180 7.436 1.00 0.00 C ATOM 223 CG ASP A 22 -0.838 17.200 7.189 1.00 0.00 C ATOM 224 OD1 ASP A 22 -0.760 17.951 6.181 1.00 0.00 O ATOM 225 OD2 ASP A 22 -1.776 17.285 8.027 1.00 0.00 O ATOM 0 H ASP A 22 -0.561 15.524 4.546 1.00 0.00 H new ATOM 0 HA ASP A 22 1.190 16.096 5.496 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.070 15.470 8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.138 16.690 7.842 1.00 0.00 H new ATOM 230 N GLY A 23 1.908 13.395 5.580 1.00 0.00 N ATOM 231 CA GLY A 23 2.715 12.240 5.822 1.00 0.00 C ATOM 232 C GLY A 23 2.005 11.212 6.636 1.00 0.00 C ATOM 233 O GLY A 23 2.099 11.241 7.862 1.00 0.00 O ATOM 0 H GLY A 23 1.536 13.436 4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.014 11.803 4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.628 12.539 6.336 1.00 0.00 H new ATOM 237 N SER A 24 1.267 10.298 5.982 1.00 0.00 N ATOM 238 CA SER A 24 0.408 9.302 6.544 1.00 0.00 C ATOM 239 C SER A 24 -0.717 9.028 5.606 1.00 0.00 C ATOM 240 O SER A 24 -1.615 9.829 5.356 1.00 0.00 O ATOM 241 CB SER A 24 -0.146 9.470 7.969 1.00 0.00 C ATOM 242 OG SER A 24 -0.827 10.703 8.144 1.00 0.00 O ATOM 0 H SER A 24 1.274 10.254 4.963 1.00 0.00 H new ATOM 0 HA SER A 24 1.098 8.468 6.673 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.827 8.648 8.190 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.674 9.406 8.684 1.00 0.00 H new ATOM 0 HG SER A 24 -0.647 11.288 7.378 1.00 0.00 H new ATOM 248 N LEU A 25 -0.699 7.804 5.049 1.00 0.00 N ATOM 249 CA LEU A 25 -1.821 7.097 4.512 1.00 0.00 C ATOM 250 C LEU A 25 -2.612 6.654 5.694 1.00 0.00 C ATOM 251 O LEU A 25 -3.835 6.760 5.786 1.00 0.00 O ATOM 252 CB LEU A 25 -1.332 5.844 3.766 1.00 0.00 C ATOM 253 CG LEU A 25 -0.211 6.099 2.744 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.623 4.826 2.525 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.762 6.664 1.424 1.00 0.00 C ATOM 0 H LEU A 25 0.166 7.269 4.968 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.395 7.718 3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.979 5.117 4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.179 5.392 3.250 1.00 0.00 H new ATOM 0 HG LEU A 25 0.452 6.861 3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.410 5.027 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.071 4.517 3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.020 4.029 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.060 6.831 0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.466 5.954 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.271 7.608 1.617 1.00 0.00 H new ATOM 267 N GLY A 26 -1.867 6.161 6.699 1.00 0.00 N ATOM 268 CA GLY A 26 -2.352 5.887 8.016 1.00 0.00 C ATOM 269 C GLY A 26 -2.127 4.464 8.397 1.00 0.00 C ATOM 270 O GLY A 26 -2.755 3.964 9.329 1.00 0.00 O ATOM 0 H GLY A 26 -0.877 5.943 6.587 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.852 6.540 8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.417 6.114 8.067 1.00 0.00 H new ATOM 274 N ILE A 27 -1.225 3.771 7.681 1.00 0.00 N ATOM 275 CA ILE A 27 -1.041 2.367 7.878 1.00 0.00 C ATOM 276 C ILE A 27 0.226 2.090 8.612 1.00 0.00 C ATOM 277 O ILE A 27 1.304 2.563 8.254 1.00 0.00 O ATOM 278 CB ILE A 27 -1.186 1.575 6.613 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.218 2.011 5.500 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.658 1.730 6.196 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.210 1.055 4.308 1.00 0.00 C ATOM 0 H ILE A 27 -0.624 4.182 6.967 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.854 2.018 8.514 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.922 0.532 6.786 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.493 3.008 5.157 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.790 2.081 5.909 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.836 1.175 5.275 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.302 1.341 6.984 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.881 2.784 6.032 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.492 1.416 3.556 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.093 0.062 4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.209 1.004 3.876 1.00 0.00 H new ATOM 293 N SER A 28 0.095 1.335 9.717 1.00 0.00 N ATOM 294 CA SER A 28 1.180 0.825 10.497 1.00 0.00 C ATOM 295 C SER A 28 1.783 -0.383 9.868 1.00 0.00 C ATOM 296 O SER A 28 1.177 -1.453 9.844 1.00 0.00 O ATOM 297 CB SER A 28 0.800 0.372 11.916 1.00 0.00 C ATOM 298 OG SER A 28 0.482 1.488 12.736 1.00 0.00 O ATOM 0 H SER A 28 -0.817 1.066 10.086 1.00 0.00 H new ATOM 0 HA SER A 28 1.861 1.674 10.548 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.053 -0.305 11.870 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.626 -0.185 12.358 1.00 0.00 H new ATOM 0 HG SER A 28 0.242 1.177 13.634 1.00 0.00 H new ATOM 304 N VAL A 29 3.015 -0.252 9.341 1.00 0.00 N ATOM 305 CA VAL A 29 3.612 -1.290 8.558 1.00 0.00 C ATOM 306 C VAL A 29 4.298 -2.389 9.293 1.00 0.00 C ATOM 307 O VAL A 29 5.170 -2.182 10.135 1.00 0.00 O ATOM 308 CB VAL A 29 4.497 -0.706 7.498 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.588 -0.030 6.458 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.512 0.284 8.093 1.00 0.00 C ATOM 0 H VAL A 29 3.599 0.576 9.458 1.00 0.00 H new ATOM 0 HA VAL A 29 2.759 -1.798 8.109 1.00 0.00 H new ATOM 0 HB VAL A 29 5.087 -1.491 7.025 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.200 0.407 5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.915 -0.771 6.026 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.004 0.754 6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.137 0.688 7.296 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.980 1.098 8.585 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.140 -0.231 8.820 1.00 0.00 H new ATOM 320 N THR A 30 3.917 -3.637 8.967 1.00 0.00 N ATOM 321 CA THR A 30 4.490 -4.870 9.410 1.00 0.00 C ATOM 322 C THR A 30 4.662 -5.766 8.234 1.00 0.00 C ATOM 323 O THR A 30 4.297 -5.419 7.111 1.00 0.00 O ATOM 324 CB THR A 30 3.666 -5.547 10.465 1.00 0.00 C ATOM 325 OG1 THR A 30 4.332 -6.640 11.081 1.00 0.00 O ATOM 326 CG2 THR A 30 2.317 -6.055 9.929 1.00 0.00 C ATOM 0 H THR A 30 3.134 -3.795 8.333 1.00 0.00 H new ATOM 0 HA THR A 30 5.454 -4.649 9.868 1.00 0.00 H new ATOM 0 HB THR A 30 3.497 -4.768 11.208 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.748 -7.039 11.759 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.763 -6.536 10.735 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.740 -5.215 9.542 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.491 -6.774 9.129 1.00 0.00 H new ATOM 334 N GLY A 31 5.209 -6.981 8.415 1.00 0.00 N ATOM 335 CA GLY A 31 5.212 -8.023 7.435 1.00 0.00 C ATOM 336 C GLY A 31 6.160 -7.884 6.294 1.00 0.00 C ATOM 337 O GLY A 31 5.846 -8.210 5.151 1.00 0.00 O ATOM 0 H GLY A 31 5.670 -7.249 9.284 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.430 -8.963 7.942 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.204 -8.107 7.028 1.00 0.00 H new ATOM 341 N GLY A 32 7.393 -7.408 6.545 1.00 0.00 N ATOM 342 CA GLY A 32 8.374 -7.283 5.513 1.00 0.00 C ATOM 343 C GLY A 32 9.164 -8.526 5.287 1.00 0.00 C ATOM 344 O GLY A 32 9.018 -9.531 5.982 1.00 0.00 O ATOM 0 H GLY A 32 7.711 -7.109 7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.878 -7.004 4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.055 -6.471 5.767 1.00 0.00 H new ATOM 348 N VAL A 33 10.107 -8.475 4.330 1.00 0.00 N ATOM 349 CA VAL A 33 10.981 -9.540 3.945 1.00 0.00 C ATOM 350 C VAL A 33 11.904 -9.997 5.022 1.00 0.00 C ATOM 351 O VAL A 33 12.590 -11.012 4.917 1.00 0.00 O ATOM 352 CB VAL A 33 11.736 -9.178 2.701 1.00 0.00 C ATOM 353 CG1 VAL A 33 12.958 -8.287 2.980 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.128 -10.440 1.912 1.00 0.00 C ATOM 0 H VAL A 33 10.270 -7.628 3.786 1.00 0.00 H new ATOM 0 HA VAL A 33 10.337 -10.395 3.741 1.00 0.00 H new ATOM 0 HB VAL A 33 11.062 -8.583 2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.464 -8.059 2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 33 12.632 -7.360 3.452 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.646 -8.810 3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.675 -10.152 1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.759 -11.076 2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.228 -10.987 1.630 1.00 0.00 H new ATOM 467 N GLY A 41 6.685 -8.132 0.653 1.00 0.00 N ATOM 468 CA GLY A 41 5.601 -7.199 0.678 1.00 0.00 C ATOM 469 C GLY A 41 5.810 -6.283 1.834 1.00 0.00 C ATOM 470 O GLY A 41 6.851 -6.311 2.488 1.00 0.00 O ATOM 0 HA2 GLY A 41 5.562 -6.634 -0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.650 -7.722 0.773 1.00 0.00 H new ATOM 474 N ILE A 42 4.780 -5.472 2.137 1.00 0.00 N ATOM 475 CA ILE A 42 4.591 -4.928 3.446 1.00 0.00 C ATOM 476 C ILE A 42 3.129 -5.100 3.677 1.00 0.00 C ATOM 477 O ILE A 42 2.372 -5.289 2.726 1.00 0.00 O ATOM 478 CB ILE A 42 5.133 -3.540 3.621 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.502 -3.265 5.088 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.202 -2.404 3.163 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.704 -4.066 5.587 1.00 0.00 C ATOM 0 H ILE A 42 4.068 -5.190 1.463 1.00 0.00 H new ATOM 0 HA ILE A 42 5.172 -5.440 4.213 1.00 0.00 H new ATOM 0 HB ILE A 42 6.008 -3.530 2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.712 -2.202 5.206 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.641 -3.491 5.717 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.689 -1.444 3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.985 -2.518 2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.272 -2.445 3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.900 -3.816 6.630 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.491 -5.132 5.503 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.579 -3.822 4.984 1.00 0.00 H new ATOM 493 N TYR A 43 2.653 -5.156 4.933 1.00 0.00 N ATOM 494 CA TYR A 43 1.298 -5.497 5.236 1.00 0.00 C ATOM 495 C TYR A 43 0.874 -4.538 6.295 1.00 0.00 C ATOM 496 O TYR A 43 1.695 -4.015 7.048 1.00 0.00 O ATOM 497 CB TYR A 43 1.173 -6.917 5.813 1.00 0.00 C ATOM 498 CG TYR A 43 1.522 -8.012 4.864 1.00 0.00 C ATOM 499 CD1 TYR A 43 2.823 -8.235 4.479 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.555 -8.881 4.418 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.145 -9.260 3.620 1.00 0.00 C ATOM 502 CE2 TYR A 43 0.874 -9.946 3.608 1.00 0.00 C ATOM 503 CZ TYR A 43 2.171 -10.130 3.193 1.00 0.00 C ATOM 504 OH TYR A 43 2.519 -11.187 2.324 1.00 0.00 O ATOM 0 H TYR A 43 3.222 -4.960 5.757 1.00 0.00 H new ATOM 0 HA TYR A 43 0.694 -5.454 4.329 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.817 -6.996 6.689 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.149 -7.065 6.156 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.606 -7.594 4.858 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.473 -8.725 4.709 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.163 -9.381 3.281 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.105 -10.638 3.298 1.00 0.00 H new ATOM 0 HH TYR A 43 1.720 -11.714 2.114 1.00 0.00 H new ATOM 514 N VAL A 44 -0.432 -4.248 6.429 1.00 0.00 N ATOM 515 CA VAL A 44 -0.896 -3.392 7.476 1.00 0.00 C ATOM 516 C VAL A 44 -1.094 -4.153 8.742 1.00 0.00 C ATOM 517 O VAL A 44 -1.712 -5.216 8.764 1.00 0.00 O ATOM 518 CB VAL A 44 -2.193 -2.747 7.085 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.516 -1.623 8.084 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.109 -2.220 5.642 1.00 0.00 C ATOM 0 H VAL A 44 -1.164 -4.605 5.815 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.138 -2.626 7.638 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.000 -3.479 7.117 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.458 -1.149 7.807 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.602 -2.041 9.087 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.718 -0.881 8.067 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.056 -1.754 5.369 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.308 -1.484 5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.903 -3.048 4.964 1.00 0.00 H new ATOM 530 N LYS A 45 -0.575 -3.635 9.870 1.00 0.00 N ATOM 531 CA LYS A 45 -0.903 -4.110 11.178 1.00 0.00 C ATOM 532 C LYS A 45 -2.131 -3.427 11.674 1.00 0.00 C ATOM 533 O LYS A 45 -3.098 -4.060 12.096 1.00 0.00 O ATOM 534 CB LYS A 45 0.246 -3.850 12.167 1.00 0.00 C ATOM 535 CG LYS A 45 0.039 -4.405 13.578 1.00 0.00 C ATOM 536 CD LYS A 45 0.063 -5.934 13.651 1.00 0.00 C ATOM 537 CE LYS A 45 -0.202 -6.475 15.057 1.00 0.00 C ATOM 538 NZ LYS A 45 -0.088 -7.952 15.081 1.00 0.00 N ATOM 0 H LYS A 45 0.092 -2.863 9.872 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.074 -5.184 11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.160 -4.280 11.757 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.404 -2.774 12.238 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.815 -4.007 14.232 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.916 -4.047 13.962 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.685 -6.336 12.967 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.034 -6.292 13.308 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.508 -6.039 15.759 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.198 -6.177 15.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.271 -8.299 16.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.783 -8.365 14.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.870 -8.231 14.789 1.00 0.00 H new ATOM 552 N ALA A 46 -2.138 -2.083 11.642 1.00 0.00 N ATOM 553 CA ALA A 46 -3.185 -1.279 12.193 1.00 0.00 C ATOM 554 C ALA A 46 -3.544 -0.148 11.291 1.00 0.00 C ATOM 555 O ALA A 46 -2.688 0.488 10.678 1.00 0.00 O ATOM 556 CB ALA A 46 -2.778 -0.734 13.573 1.00 0.00 C ATOM 0 H ALA A 46 -1.389 -1.536 11.218 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.061 -1.918 12.301 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.587 -0.125 13.977 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.579 -1.566 14.248 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.880 -0.125 13.473 1.00 0.00 H new ATOM 562 N ILE A 47 -4.857 0.128 11.205 1.00 0.00 N ATOM 563 CA ILE A 47 -5.447 1.275 10.585 1.00 0.00 C ATOM 564 C ILE A 47 -5.730 2.254 11.672 1.00 0.00 C ATOM 565 O ILE A 47 -6.362 1.931 12.676 1.00 0.00 O ATOM 566 CB ILE A 47 -6.732 0.955 9.880 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.561 -0.167 8.843 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.372 2.193 9.229 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.578 0.172 7.724 1.00 0.00 C ATOM 0 H ILE A 47 -5.559 -0.498 11.599 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.759 1.663 9.834 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.412 0.600 10.654 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.222 -1.070 9.351 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.532 -0.394 8.404 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.299 1.905 8.733 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.587 2.937 9.996 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.684 2.615 8.496 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.511 -0.668 7.032 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.926 1.056 7.189 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.595 0.370 8.151 1.00 0.00 H new ATOM 581 N ILE A 48 -5.260 3.505 11.517 1.00 0.00 N ATOM 582 CA ILE A 48 -5.533 4.537 12.467 1.00 0.00 C ATOM 583 C ILE A 48 -6.902 5.103 12.302 1.00 0.00 C ATOM 584 O ILE A 48 -7.451 5.006 11.206 1.00 0.00 O ATOM 585 CB ILE A 48 -4.550 5.670 12.424 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.444 6.302 11.026 1.00 0.00 C ATOM 587 CG2 ILE A 48 -3.243 5.122 13.020 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.221 7.205 10.867 1.00 0.00 C ATOM 0 H ILE A 48 -4.687 3.802 10.727 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.446 4.041 13.434 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.871 6.522 13.023 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.403 5.510 10.278 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.345 6.882 10.827 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.485 5.905 13.016 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.420 4.794 14.044 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.897 4.278 12.423 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.204 7.620 9.859 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.271 8.017 11.593 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.315 6.623 11.035 1.00 0.00 H new ATOM 643 N ALA A 52 -6.062 8.446 5.393 1.00 0.00 N ATOM 644 CA ALA A 52 -6.343 8.331 3.995 1.00 0.00 C ATOM 645 C ALA A 52 -6.639 6.928 3.592 1.00 0.00 C ATOM 646 O ALA A 52 -7.507 6.666 2.761 1.00 0.00 O ATOM 647 CB ALA A 52 -5.133 8.844 3.197 1.00 0.00 C ATOM 0 HA ALA A 52 -7.230 8.928 3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.339 8.760 2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.947 9.888 3.449 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.254 8.248 3.445 1.00 0.00 H new ATOM 653 N ALA A 53 -5.942 5.937 4.175 1.00 0.00 N ATOM 654 CA ALA A 53 -6.084 4.550 3.859 1.00 0.00 C ATOM 655 C ALA A 53 -7.377 3.971 4.322 1.00 0.00 C ATOM 656 O ALA A 53 -8.073 3.266 3.593 1.00 0.00 O ATOM 657 CB ALA A 53 -4.896 3.792 4.473 1.00 0.00 C ATOM 0 H ALA A 53 -5.247 6.111 4.901 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.089 4.447 2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.984 2.730 4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.965 4.177 4.057 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.895 3.931 5.554 1.00 0.00 H new ATOM 663 N GLU A 54 -7.789 4.348 5.545 1.00 0.00 N ATOM 664 CA GLU A 54 -9.103 4.157 6.077 1.00 0.00 C ATOM 665 C GLU A 54 -10.153 4.810 5.246 1.00 0.00 C ATOM 666 O GLU A 54 -11.312 4.402 5.201 1.00 0.00 O ATOM 667 CB GLU A 54 -9.122 4.770 7.487 1.00 0.00 C ATOM 668 CG GLU A 54 -10.430 4.685 8.276 1.00 0.00 C ATOM 669 CD GLU A 54 -10.905 3.294 8.672 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.140 2.435 7.781 1.00 0.00 O ATOM 671 OE2 GLU A 54 -11.150 3.064 9.886 1.00 0.00 O ATOM 0 H GLU A 54 -7.165 4.815 6.203 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.325 3.090 6.091 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.342 4.286 8.075 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.849 5.822 7.400 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.317 5.277 9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.215 5.156 7.684 1.00 0.00 H new ATOM 678 N SER A 55 -9.800 5.881 4.512 1.00 0.00 N ATOM 679 CA SER A 55 -10.712 6.522 3.615 1.00 0.00 C ATOM 680 C SER A 55 -10.877 5.872 2.284 1.00 0.00 C ATOM 681 O SER A 55 -11.817 6.227 1.573 1.00 0.00 O ATOM 682 CB SER A 55 -10.412 8.011 3.378 1.00 0.00 C ATOM 683 OG SER A 55 -10.420 8.710 4.614 1.00 0.00 O ATOM 0 H SER A 55 -8.873 6.307 4.541 1.00 0.00 H new ATOM 0 HA SER A 55 -11.649 6.412 4.161 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.442 8.123 2.894 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.155 8.438 2.705 1.00 0.00 H new ATOM 0 HG SER A 55 -10.226 9.657 4.455 1.00 0.00 H new ATOM 689 N ASP A 56 -10.076 4.869 1.882 1.00 0.00 N ATOM 690 CA ASP A 56 -10.507 3.935 0.889 1.00 0.00 C ATOM 691 C ASP A 56 -11.453 3.012 1.575 1.00 0.00 C ATOM 692 O ASP A 56 -12.642 2.948 1.268 1.00 0.00 O ATOM 693 CB ASP A 56 -9.346 3.166 0.235 1.00 0.00 C ATOM 694 CG ASP A 56 -9.877 2.232 -0.842 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.227 2.705 -1.957 1.00 0.00 O ATOM 696 OD2 ASP A 56 -10.049 1.019 -0.545 1.00 0.00 O ATOM 0 H ASP A 56 -9.136 4.705 2.242 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.983 4.463 0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.634 3.868 -0.200 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.808 2.594 0.990 1.00 0.00 H new ATOM 701 N GLY A 57 -10.946 2.276 2.581 1.00 0.00 N ATOM 702 CA GLY A 57 -11.774 1.627 3.550 1.00 0.00 C ATOM 703 C GLY A 57 -11.993 0.183 3.253 1.00 0.00 C ATOM 704 O GLY A 57 -12.485 -0.568 4.092 1.00 0.00 O ATOM 0 H GLY A 57 -9.947 2.129 2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -11.317 1.725 4.535 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.738 2.134 3.594 1.00 0.00 H new ATOM 708 N ARG A 58 -11.577 -0.265 2.054 1.00 0.00 N ATOM 709 CA ARG A 58 -11.459 -1.652 1.723 1.00 0.00 C ATOM 710 C ARG A 58 -10.260 -2.217 2.403 1.00 0.00 C ATOM 711 O ARG A 58 -10.248 -3.377 2.810 1.00 0.00 O ATOM 712 CB ARG A 58 -11.391 -1.828 0.197 1.00 0.00 C ATOM 713 CG ARG A 58 -12.671 -1.325 -0.476 1.00 0.00 C ATOM 714 CD ARG A 58 -12.636 -1.347 -2.005 1.00 0.00 C ATOM 715 NE ARG A 58 -11.647 -0.324 -2.447 1.00 0.00 N ATOM 716 CZ ARG A 58 -11.465 0.016 -3.755 1.00 0.00 C ATOM 717 NH1 ARG A 58 -12.164 -0.576 -4.768 1.00 0.00 N ATOM 718 NH2 ARG A 58 -10.572 1.005 -4.056 1.00 0.00 N ATOM 0 H ARG A 58 -11.314 0.358 1.290 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.337 -2.196 2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.532 -1.284 -0.197 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.240 -2.880 -0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.508 -1.934 -0.136 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.864 -0.305 -0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.353 -2.335 -2.367 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.622 -1.128 -2.414 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.080 0.143 -1.739 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.851 -1.300 -4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.999 -0.294 -5.734 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.058 1.472 -3.309 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.419 1.276 -5.027 1.00 0.00 H new ATOM 732 N ILE A 59 -9.245 -1.367 2.646 1.00 0.00 N ATOM 733 CA ILE A 59 -8.134 -1.583 3.519 1.00 0.00 C ATOM 734 C ILE A 59 -8.596 -1.768 4.925 1.00 0.00 C ATOM 735 O ILE A 59 -9.328 -0.947 5.475 1.00 0.00 O ATOM 736 CB ILE A 59 -7.179 -0.427 3.457 1.00 0.00 C ATOM 737 CG1 ILE A 59 -6.898 -0.014 2.002 1.00 0.00 C ATOM 738 CG2 ILE A 59 -5.872 -0.830 4.161 1.00 0.00 C ATOM 739 CD1 ILE A 59 -5.865 1.105 1.873 1.00 0.00 C ATOM 0 H ILE A 59 -9.200 -0.454 2.193 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.623 -2.487 3.189 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.624 0.432 3.959 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.550 -0.885 1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.830 0.308 1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.168 0.001 4.124 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.081 -1.082 5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.440 -1.695 3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.717 1.344 0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.220 1.991 2.400 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.920 0.779 2.307 1.00 0.00 H new ATOM 751 N HIS A 60 -8.152 -2.858 5.576 1.00 0.00 N ATOM 752 CA HIS A 60 -8.518 -3.196 6.916 1.00 0.00 C ATOM 753 C HIS A 60 -7.290 -3.436 7.726 1.00 0.00 C ATOM 754 O HIS A 60 -6.197 -2.991 7.380 1.00 0.00 O ATOM 755 CB HIS A 60 -9.418 -4.443 6.892 1.00 0.00 C ATOM 756 CG HIS A 60 -10.065 -4.817 8.192 1.00 0.00 C ATOM 757 ND1 HIS A 60 -10.889 -3.913 8.833 1.00 0.00 N ATOM 758 CD2 HIS A 60 -9.924 -5.946 8.938 1.00 0.00 C ATOM 759 CE1 HIS A 60 -11.244 -4.507 9.957 1.00 0.00 C ATOM 760 NE2 HIS A 60 -10.680 -5.739 10.073 1.00 0.00 N ATOM 0 H HIS A 60 -7.513 -3.530 5.152 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.070 -2.375 7.373 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.202 -4.285 6.152 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.822 -5.289 6.550 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.342 -6.822 8.693 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.901 -4.069 10.694 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -10.794 -6.387 10.852 1.00 0.00 H new ATOM 768 N LYS A 61 -7.372 -4.108 8.889 1.00 0.00 N ATOM 769 CA LYS A 61 -6.220 -4.400 9.686 1.00 0.00 C ATOM 770 C LYS A 61 -5.655 -5.736 9.344 1.00 0.00 C ATOM 771 O LYS A 61 -5.672 -6.660 10.156 1.00 0.00 O ATOM 772 CB LYS A 61 -6.570 -4.299 11.179 1.00 0.00 C ATOM 773 CG LYS A 61 -7.031 -2.888 11.551 1.00 0.00 C ATOM 774 CD LYS A 61 -7.224 -2.656 13.051 1.00 0.00 C ATOM 775 CE LYS A 61 -7.649 -1.214 13.336 1.00 0.00 C ATOM 776 NZ LYS A 61 -7.887 -0.983 14.779 1.00 0.00 N ATOM 0 H LYS A 61 -8.248 -4.453 9.281 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.449 -3.661 9.468 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.356 -5.015 11.419 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.700 -4.568 11.777 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.301 -2.171 11.177 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.972 -2.681 11.041 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.978 -3.343 13.434 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.296 -2.876 13.578 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.877 -0.531 12.982 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.557 -0.986 12.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.173 0.005 14.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.642 -1.616 15.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.014 -1.176 15.310 1.00 0.00 H new ATOM 790 N GLY A 62 -5.125 -5.889 8.119 1.00 0.00 N ATOM 791 CA GLY A 62 -4.442 -7.084 7.731 1.00 0.00 C ATOM 792 C GLY A 62 -4.571 -7.441 6.290 1.00 0.00 C ATOM 793 O GLY A 62 -4.926 -8.573 5.963 1.00 0.00 O ATOM 0 H GLY A 62 -5.170 -5.177 7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.384 -6.974 7.970 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.820 -7.912 8.331 1.00 0.00 H new ATOM 797 N ASP A 63 -4.247 -6.518 5.368 1.00 0.00 N ATOM 798 CA ASP A 63 -4.097 -6.779 3.971 1.00 0.00 C ATOM 799 C ASP A 63 -2.655 -6.671 3.612 1.00 0.00 C ATOM 800 O ASP A 63 -1.815 -6.266 4.414 1.00 0.00 O ATOM 801 CB ASP A 63 -4.859 -5.763 3.102 1.00 0.00 C ATOM 802 CG ASP A 63 -6.329 -5.779 3.497 1.00 0.00 C ATOM 803 OD1 ASP A 63 -7.007 -6.824 3.303 1.00 0.00 O ATOM 804 OD2 ASP A 63 -6.812 -4.746 4.032 1.00 0.00 O ATOM 0 H ASP A 63 -4.081 -5.541 5.609 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.497 -7.775 3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.443 -4.765 3.238 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.750 -6.013 2.047 1.00 0.00 H new ATOM 809 N ARG A 64 -2.321 -7.017 2.356 1.00 0.00 N ATOM 810 CA ARG A 64 -0.992 -6.949 1.834 1.00 0.00 C ATOM 811 C ARG A 64 -0.846 -5.766 0.938 1.00 0.00 C ATOM 812 O ARG A 64 -1.701 -5.505 0.093 1.00 0.00 O ATOM 813 CB ARG A 64 -0.739 -8.229 1.020 1.00 0.00 C ATOM 814 CG ARG A 64 0.648 -8.367 0.386 1.00 0.00 C ATOM 815 CD ARG A 64 0.705 -9.600 -0.518 1.00 0.00 C ATOM 816 NE ARG A 64 2.118 -9.777 -0.955 1.00 0.00 N ATOM 817 CZ ARG A 64 2.463 -10.595 -1.993 1.00 0.00 C ATOM 818 NH1 ARG A 64 1.525 -11.208 -2.770 1.00 0.00 N ATOM 819 NH2 ARG A 64 3.790 -10.794 -2.245 1.00 0.00 N ATOM 0 H ARG A 64 -3.003 -7.357 1.678 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.278 -6.856 2.652 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.904 -9.087 1.672 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.485 -8.283 0.227 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.880 -7.473 -0.193 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.405 -8.446 1.167 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.357 -10.483 0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.051 -9.472 -1.381 1.00 0.00 H new ATOM 0 HE ARG A 64 2.853 -9.270 -0.462 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.533 -11.061 -2.583 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.815 -11.813 -3.538 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.493 -10.337 -1.665 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.078 -11.400 -3.014 1.00 0.00 H new ATOM 833 N VAL A 65 0.266 -5.018 1.055 1.00 0.00 N ATOM 834 CA VAL A 65 0.688 -4.016 0.127 1.00 0.00 C ATOM 835 C VAL A 65 1.714 -4.658 -0.741 1.00 0.00 C ATOM 836 O VAL A 65 2.740 -5.131 -0.252 1.00 0.00 O ATOM 837 CB VAL A 65 1.297 -2.808 0.774 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.180 -1.612 -0.186 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.675 -2.482 2.143 1.00 0.00 C ATOM 0 H VAL A 65 0.906 -5.119 1.843 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.186 -3.659 -0.417 1.00 0.00 H new ATOM 0 HB VAL A 65 2.347 -3.026 0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.621 -0.729 0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.707 -1.837 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.129 -1.421 -0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.157 -1.598 2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.391 -2.290 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.818 -3.326 2.818 1.00 0.00 H new ATOM 849 N LEU A 66 1.502 -4.745 -2.066 1.00 0.00 N ATOM 850 CA LEU A 66 2.465 -5.294 -2.969 1.00 0.00 C ATOM 851 C LEU A 66 3.197 -4.256 -3.747 1.00 0.00 C ATOM 852 O LEU A 66 4.382 -4.439 -4.021 1.00 0.00 O ATOM 853 CB LEU A 66 1.907 -6.392 -3.891 1.00 0.00 C ATOM 854 CG LEU A 66 0.635 -6.082 -4.698 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.623 -6.877 -6.014 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.624 -6.432 -3.885 1.00 0.00 C ATOM 0 H LEU A 66 0.645 -4.428 -2.519 1.00 0.00 H new ATOM 0 HA LEU A 66 3.190 -5.782 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.691 -6.665 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.708 -7.272 -3.279 1.00 0.00 H new ATOM 0 HG LEU A 66 0.634 -5.015 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.285 -6.645 -6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.494 -6.607 -6.610 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.651 -7.944 -5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.512 -6.205 -4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.614 -7.494 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.638 -5.846 -2.966 1.00 0.00 H new ATOM 868 N ALA A 67 2.570 -3.126 -4.122 1.00 0.00 N ATOM 869 CA ALA A 67 3.289 -2.136 -4.862 1.00 0.00 C ATOM 870 C ALA A 67 2.789 -0.754 -4.619 1.00 0.00 C ATOM 871 O ALA A 67 1.637 -0.552 -4.237 1.00 0.00 O ATOM 872 CB ALA A 67 3.279 -2.456 -6.367 1.00 0.00 C ATOM 0 H ALA A 67 1.596 -2.902 -3.921 1.00 0.00 H new ATOM 0 HA ALA A 67 4.317 -2.169 -4.500 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.833 -1.687 -6.906 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.747 -3.426 -6.536 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.250 -2.482 -6.727 1.00 0.00 H new ATOM 878 N VAL A 68 3.658 0.258 -4.784 1.00 0.00 N ATOM 879 CA VAL A 68 3.345 1.617 -4.470 1.00 0.00 C ATOM 880 C VAL A 68 3.764 2.553 -5.551 1.00 0.00 C ATOM 881 O VAL A 68 4.961 2.724 -5.778 1.00 0.00 O ATOM 882 CB VAL A 68 4.014 2.054 -3.201 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.558 3.480 -2.850 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.663 1.083 -2.059 1.00 0.00 C ATOM 0 H VAL A 68 4.603 0.128 -5.145 1.00 0.00 H new ATOM 0 HA VAL A 68 2.261 1.653 -4.357 1.00 0.00 H new ATOM 0 HB VAL A 68 5.095 2.048 -3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.043 3.800 -1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.831 4.159 -3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.476 3.493 -2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.153 1.408 -1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.583 1.072 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.004 0.080 -2.317 1.00 0.00 H new ATOM 894 N ASN A 69 2.834 3.197 -6.278 1.00 0.00 N ATOM 895 CA ASN A 69 3.093 3.899 -7.496 1.00 0.00 C ATOM 896 C ASN A 69 3.728 3.058 -8.550 1.00 0.00 C ATOM 897 O ASN A 69 4.503 3.519 -9.386 1.00 0.00 O ATOM 898 CB ASN A 69 3.835 5.229 -7.275 1.00 0.00 C ATOM 899 CG ASN A 69 2.981 6.135 -6.399 1.00 0.00 C ATOM 900 OD1 ASN A 69 1.762 6.192 -6.546 1.00 0.00 O ATOM 901 ND2 ASN A 69 3.605 6.892 -5.456 1.00 0.00 N ATOM 0 H ASN A 69 1.853 3.229 -6.002 1.00 0.00 H new ATOM 0 HA ASN A 69 2.109 4.158 -7.887 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.799 5.047 -6.801 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.036 5.711 -8.232 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.060 7.516 -4.861 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.617 6.835 -5.344 1.00 0.00 H new ATOM 908 N GLY A 70 3.408 1.752 -8.547 1.00 0.00 N ATOM 909 CA GLY A 70 4.005 0.757 -9.382 1.00 0.00 C ATOM 910 C GLY A 70 5.340 0.294 -8.910 1.00 0.00 C ATOM 911 O GLY A 70 6.093 -0.331 -9.655 1.00 0.00 O ATOM 0 H GLY A 70 2.693 1.370 -7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.335 -0.101 -9.444 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.106 1.156 -10.391 1.00 0.00 H new ATOM 915 N VAL A 71 5.700 0.585 -7.646 1.00 0.00 N ATOM 916 CA VAL A 71 6.984 0.266 -7.103 1.00 0.00 C ATOM 917 C VAL A 71 6.800 -0.859 -6.143 1.00 0.00 C ATOM 918 O VAL A 71 6.305 -0.706 -5.028 1.00 0.00 O ATOM 919 CB VAL A 71 7.707 1.405 -6.448 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.108 0.971 -5.986 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.833 2.554 -7.463 1.00 0.00 C ATOM 0 H VAL A 71 5.081 1.054 -6.985 1.00 0.00 H new ATOM 0 HA VAL A 71 7.627 -0.006 -7.940 1.00 0.00 H new ATOM 0 HB VAL A 71 7.145 1.729 -5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.613 1.814 -5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.018 0.154 -5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.687 0.637 -6.846 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.357 3.391 -7.002 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.392 2.211 -8.333 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.839 2.875 -7.774 1.00 0.00 H new ATOM 931 N SER A 72 7.156 -2.072 -6.603 1.00 0.00 N ATOM 932 CA SER A 72 6.967 -3.319 -5.928 1.00 0.00 C ATOM 933 C SER A 72 7.758 -3.465 -4.674 1.00 0.00 C ATOM 934 O SER A 72 8.945 -3.149 -4.607 1.00 0.00 O ATOM 935 CB SER A 72 7.286 -4.518 -6.837 1.00 0.00 C ATOM 936 OG SER A 72 6.769 -4.321 -8.144 1.00 0.00 O ATOM 0 H SER A 72 7.607 -2.188 -7.510 1.00 0.00 H new ATOM 0 HA SER A 72 5.911 -3.312 -5.660 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.365 -4.663 -6.888 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.862 -5.426 -6.408 1.00 0.00 H new ATOM 0 HG SER A 72 6.987 -5.096 -8.702 1.00 0.00 H new ATOM 942 N LEU A 73 7.129 -4.002 -3.613 1.00 0.00 N ATOM 943 CA LEU A 73 7.711 -4.224 -2.326 1.00 0.00 C ATOM 944 C LEU A 73 8.409 -5.536 -2.221 1.00 0.00 C ATOM 945 O LEU A 73 8.609 -6.094 -1.143 1.00 0.00 O ATOM 946 CB LEU A 73 6.610 -4.092 -1.259 1.00 0.00 C ATOM 947 CG LEU A 73 6.193 -2.640 -0.972 1.00 0.00 C ATOM 948 CD1 LEU A 73 4.714 -2.578 -0.555 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.043 -2.016 0.147 1.00 0.00 C ATOM 0 H LEU A 73 6.154 -4.299 -3.658 1.00 0.00 H new ATOM 0 HA LEU A 73 8.482 -3.470 -2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.734 -4.654 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.958 -4.550 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 73 6.349 -2.076 -1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.435 -1.543 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.093 -2.973 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.565 -3.174 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.719 -0.990 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.921 -2.595 1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.092 -2.020 -0.148 1.00 0.00 H new ATOM 961 N GLU A 74 8.893 -6.082 -3.351 1.00 0.00 N ATOM 962 CA GLU A 74 9.729 -7.242 -3.391 1.00 0.00 C ATOM 963 C GLU A 74 11.062 -6.931 -2.801 1.00 0.00 C ATOM 964 O GLU A 74 11.779 -6.039 -3.251 1.00 0.00 O ATOM 965 CB GLU A 74 9.899 -7.757 -4.830 1.00 0.00 C ATOM 966 CG GLU A 74 10.640 -9.090 -4.955 1.00 0.00 C ATOM 967 CD GLU A 74 11.147 -9.298 -6.375 1.00 0.00 C ATOM 968 OE1 GLU A 74 12.000 -8.484 -6.820 1.00 0.00 O ATOM 969 OE2 GLU A 74 10.698 -10.246 -7.073 1.00 0.00 O ATOM 0 H GLU A 74 8.694 -5.699 -4.275 1.00 0.00 H new ATOM 0 HA GLU A 74 9.248 -8.025 -2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.912 -7.863 -5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.435 -7.005 -5.409 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.478 -9.112 -4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.975 -9.908 -4.679 1.00 0.00 H new ATOM 976 N GLY A 75 11.423 -7.622 -1.705 1.00 0.00 N ATOM 977 CA GLY A 75 12.639 -7.378 -0.995 1.00 0.00 C ATOM 978 C GLY A 75 12.579 -6.276 0.006 1.00 0.00 C ATOM 979 O GLY A 75 13.603 -5.929 0.590 1.00 0.00 O ATOM 0 H GLY A 75 10.856 -8.368 -1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.933 -8.295 -0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.423 -7.149 -1.717 1.00 0.00 H new ATOM 983 N ALA A 76 11.394 -5.696 0.265 1.00 0.00 N ATOM 984 CA ALA A 76 11.225 -4.665 1.242 1.00 0.00 C ATOM 985 C ALA A 76 10.988 -5.227 2.603 1.00 0.00 C ATOM 986 O ALA A 76 10.267 -6.206 2.794 1.00 0.00 O ATOM 987 CB ALA A 76 10.096 -3.698 0.849 1.00 0.00 C ATOM 0 H ALA A 76 10.531 -5.950 -0.217 1.00 0.00 H new ATOM 0 HA ALA A 76 12.157 -4.101 1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.995 -2.927 1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.333 -3.232 -0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.159 -4.248 0.762 1.00 0.00 H new ATOM 993 N THR A 77 11.626 -4.632 3.626 1.00 0.00 N ATOM 994 CA THR A 77 11.479 -4.926 5.017 1.00 0.00 C ATOM 995 C THR A 77 10.858 -3.694 5.580 1.00 0.00 C ATOM 996 O THR A 77 10.429 -2.834 4.814 1.00 0.00 O ATOM 997 CB THR A 77 12.767 -5.317 5.679 1.00 0.00 C ATOM 998 OG1 THR A 77 12.736 -5.396 7.097 1.00 0.00 O ATOM 999 CG2 THR A 77 13.938 -4.402 5.285 1.00 0.00 C ATOM 0 H THR A 77 12.300 -3.884 3.465 1.00 0.00 H new ATOM 0 HA THR A 77 10.859 -5.805 5.192 1.00 0.00 H new ATOM 0 HB THR A 77 12.917 -6.328 5.299 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.620 -5.659 7.429 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.844 -4.731 5.793 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.089 -4.449 4.207 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.712 -3.376 5.575 1.00 0.00 H new ATOM 1007 N HIS A 78 10.780 -3.499 6.909 1.00 0.00 N ATOM 1008 CA HIS A 78 10.220 -2.346 7.544 1.00 0.00 C ATOM 1009 C HIS A 78 10.805 -1.049 7.104 1.00 0.00 C ATOM 1010 O HIS A 78 10.063 -0.147 6.718 1.00 0.00 O ATOM 1011 CB HIS A 78 10.316 -2.442 9.075 1.00 0.00 C ATOM 1012 CG HIS A 78 9.926 -1.209 9.836 1.00 0.00 C ATOM 1013 ND1 HIS A 78 10.849 -0.463 10.520 1.00 0.00 N ATOM 1014 CD2 HIS A 78 8.748 -0.535 9.920 1.00 0.00 C ATOM 1015 CE1 HIS A 78 10.269 0.625 10.993 1.00 0.00 C ATOM 1016 NE2 HIS A 78 8.994 0.599 10.648 1.00 0.00 N ATOM 0 H HIS A 78 11.128 -4.186 7.578 1.00 0.00 H new ATOM 0 HA HIS A 78 9.177 -2.349 7.228 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.685 -3.266 9.408 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.342 -2.699 9.340 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.831 -0.709 10.645 1.00 0.00 H new ATOM 0 HD2 HIS A 78 7.802 -0.836 9.495 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.754 1.403 11.564 1.00 0.00 H new ATOM 1025 N LYS A 79 12.141 -0.891 7.129 1.00 0.00 N ATOM 1026 CA LYS A 79 12.782 0.353 6.838 1.00 0.00 C ATOM 1027 C LYS A 79 12.631 0.766 5.415 1.00 0.00 C ATOM 1028 O LYS A 79 12.260 1.897 5.105 1.00 0.00 O ATOM 1029 CB LYS A 79 14.267 0.265 7.231 1.00 0.00 C ATOM 1030 CG LYS A 79 15.038 1.586 7.207 1.00 0.00 C ATOM 1031 CD LYS A 79 16.515 1.402 7.560 1.00 0.00 C ATOM 1032 CE LYS A 79 17.268 2.715 7.786 1.00 0.00 C ATOM 1033 NZ LYS A 79 18.712 2.459 7.982 1.00 0.00 N ATOM 0 H LYS A 79 12.790 -1.645 7.357 1.00 0.00 H new ATOM 0 HA LYS A 79 12.289 1.126 7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.334 -0.156 8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.761 -0.435 6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.956 2.034 6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.583 2.283 7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.590 0.792 8.460 1.00 0.00 H new ATOM 0 HD3 LYS A 79 17.004 0.848 6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.123 3.376 6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.862 3.228 8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.207 3.361 8.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.846 1.846 8.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.099 1.990 7.139 1.00 0.00 H new ATOM 1047 N GLN A 80 12.861 -0.182 4.489 1.00 0.00 N ATOM 1048 CA GLN A 80 12.612 -0.051 3.087 1.00 0.00 C ATOM 1049 C GLN A 80 11.190 0.199 2.726 1.00 0.00 C ATOM 1050 O GLN A 80 10.902 1.103 1.943 1.00 0.00 O ATOM 1051 CB GLN A 80 13.154 -1.295 2.363 1.00 0.00 C ATOM 1052 CG GLN A 80 13.566 -0.965 0.927 1.00 0.00 C ATOM 1053 CD GLN A 80 14.000 -2.182 0.123 1.00 0.00 C ATOM 1054 OE1 GLN A 80 13.451 -2.487 -0.936 1.00 0.00 O ATOM 1055 NE2 GLN A 80 15.026 -2.917 0.631 1.00 0.00 N ATOM 0 H GLN A 80 13.244 -1.095 4.735 1.00 0.00 H new ATOM 0 HA GLN A 80 13.137 0.846 2.760 1.00 0.00 H new ATOM 0 HB2 GLN A 80 14.011 -1.691 2.908 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.393 -2.075 2.355 1.00 0.00 H new ATOM 0 HG2 GLN A 80 12.730 -0.484 0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.383 -0.244 0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 80 15.464 -2.642 1.511 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.358 -3.743 0.132 1.00 0.00 H new ATOM 1064 N ALA A 81 10.222 -0.545 3.292 1.00 0.00 N ATOM 1065 CA ALA A 81 8.832 -0.323 3.042 1.00 0.00 C ATOM 1066 C ALA A 81 8.324 0.994 3.517 1.00 0.00 C ATOM 1067 O ALA A 81 7.477 1.603 2.865 1.00 0.00 O ATOM 1068 CB ALA A 81 7.978 -1.406 3.722 1.00 0.00 C ATOM 0 H ALA A 81 10.409 -1.315 3.935 1.00 0.00 H new ATOM 0 HA ALA A 81 8.744 -0.352 1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.924 -1.218 3.519 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.254 -2.385 3.331 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.150 -1.383 4.798 1.00 0.00 H new ATOM 1074 N VAL A 82 8.851 1.501 4.645 1.00 0.00 N ATOM 1075 CA VAL A 82 8.599 2.834 5.096 1.00 0.00 C ATOM 1076 C VAL A 82 8.974 3.814 4.037 1.00 0.00 C ATOM 1077 O VAL A 82 8.109 4.575 3.607 1.00 0.00 O ATOM 1078 CB VAL A 82 9.256 3.161 6.404 1.00 0.00 C ATOM 1079 CG1 VAL A 82 9.379 4.669 6.683 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.437 2.516 7.534 1.00 0.00 C ATOM 0 H VAL A 82 9.468 0.971 5.260 1.00 0.00 H new ATOM 0 HA VAL A 82 7.528 2.905 5.286 1.00 0.00 H new ATOM 0 HB VAL A 82 10.272 2.770 6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.864 4.822 7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.974 5.137 5.899 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.386 5.118 6.701 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.900 2.743 8.494 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.421 2.911 7.518 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.408 1.436 7.392 1.00 0.00 H new ATOM 1090 N GLU A 83 10.207 3.795 3.501 1.00 0.00 N ATOM 1091 CA GLU A 83 10.594 4.630 2.406 1.00 0.00 C ATOM 1092 C GLU A 83 9.748 4.523 1.185 1.00 0.00 C ATOM 1093 O GLU A 83 9.297 5.541 0.659 1.00 0.00 O ATOM 1094 CB GLU A 83 12.076 4.434 2.046 1.00 0.00 C ATOM 1095 CG GLU A 83 12.983 5.345 2.877 1.00 0.00 C ATOM 1096 CD GLU A 83 14.446 4.943 2.763 1.00 0.00 C ATOM 1097 OE1 GLU A 83 15.023 5.045 1.648 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.045 4.522 3.789 1.00 0.00 O ATOM 0 H GLU A 83 10.953 3.185 3.836 1.00 0.00 H new ATOM 0 HA GLU A 83 10.432 5.641 2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.356 3.393 2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.224 4.641 0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.863 6.377 2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.676 5.307 3.922 1.00 0.00 H new ATOM 1105 N THR A 84 9.438 3.305 0.708 1.00 0.00 N ATOM 1106 CA THR A 84 8.592 3.024 -0.412 1.00 0.00 C ATOM 1107 C THR A 84 7.247 3.664 -0.367 1.00 0.00 C ATOM 1108 O THR A 84 6.710 4.062 -1.399 1.00 0.00 O ATOM 1109 CB THR A 84 8.508 1.540 -0.612 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.798 1.026 -0.911 1.00 0.00 O ATOM 1111 CG2 THR A 84 7.628 1.070 -1.783 1.00 0.00 C ATOM 0 H THR A 84 9.805 2.455 1.136 1.00 0.00 H new ATOM 0 HA THR A 84 9.061 3.488 -1.279 1.00 0.00 H new ATOM 0 HB THR A 84 8.072 1.182 0.320 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.328 0.974 -0.088 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.641 -0.019 -1.833 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.605 1.414 -1.631 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.014 1.481 -2.716 1.00 0.00 H new ATOM 1119 N LEU A 85 6.656 3.838 0.829 1.00 0.00 N ATOM 1120 CA LEU A 85 5.440 4.549 1.074 1.00 0.00 C ATOM 1121 C LEU A 85 5.599 5.992 1.415 1.00 0.00 C ATOM 1122 O LEU A 85 4.882 6.848 0.899 1.00 0.00 O ATOM 1123 CB LEU A 85 4.707 3.856 2.234 1.00 0.00 C ATOM 1124 CG LEU A 85 4.251 2.422 1.918 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.008 1.611 3.203 1.00 0.00 C ATOM 1126 CD2 LEU A 85 2.963 2.404 1.077 1.00 0.00 C ATOM 0 H LEU A 85 7.058 3.454 1.684 1.00 0.00 H new ATOM 0 HA LEU A 85 4.885 4.526 0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.364 3.834 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.836 4.451 2.507 1.00 0.00 H new ATOM 0 HG LEU A 85 5.059 1.966 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.687 0.603 2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.931 1.560 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.234 2.095 3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.674 1.372 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.164 2.904 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.137 2.923 0.134 1.00 0.00 H new ATOM 1138 N ARG A 86 6.521 6.338 2.330 1.00 0.00 N ATOM 1139 CA ARG A 86 6.730 7.627 2.914 1.00 0.00 C ATOM 1140 C ARG A 86 7.440 8.598 2.035 1.00 0.00 C ATOM 1141 O ARG A 86 7.136 9.789 2.039 1.00 0.00 O ATOM 1142 CB ARG A 86 7.449 7.430 4.260 1.00 0.00 C ATOM 1143 CG ARG A 86 7.925 8.672 5.016 1.00 0.00 C ATOM 1144 CD ARG A 86 9.386 8.985 4.688 1.00 0.00 C ATOM 1145 NE ARG A 86 9.683 10.319 5.283 1.00 0.00 N ATOM 1146 CZ ARG A 86 10.580 10.590 6.276 1.00 0.00 C ATOM 1147 NH1 ARG A 86 11.504 9.688 6.720 1.00 0.00 N ATOM 1148 NH2 ARG A 86 10.569 11.825 6.857 1.00 0.00 N ATOM 0 H ARG A 86 7.181 5.650 2.694 1.00 0.00 H new ATOM 0 HA ARG A 86 5.754 8.089 3.065 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.778 6.877 4.918 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.317 6.795 4.083 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.299 9.525 4.753 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.815 8.514 6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.047 8.222 5.099 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.546 8.998 3.610 1.00 0.00 H new ATOM 0 HE ARG A 86 9.162 11.112 4.909 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.548 8.757 6.306 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.150 9.945 7.466 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.898 12.528 6.548 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.232 12.045 7.600 1.00 0.00 H new ATOM 1162 N ASN A 87 8.427 8.155 1.235 1.00 0.00 N ATOM 1163 CA ASN A 87 9.322 8.991 0.497 1.00 0.00 C ATOM 1164 C ASN A 87 8.770 9.379 -0.831 1.00 0.00 C ATOM 1165 O ASN A 87 9.482 9.601 -1.809 1.00 0.00 O ATOM 1166 CB ASN A 87 10.653 8.234 0.351 1.00 0.00 C ATOM 1167 CG ASN A 87 11.851 9.127 0.059 1.00 0.00 C ATOM 1168 OD1 ASN A 87 12.008 10.205 0.630 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.770 8.632 -0.815 1.00 0.00 N ATOM 0 H ASN A 87 8.610 7.161 1.096 1.00 0.00 H new ATOM 0 HA ASN A 87 9.472 9.926 1.036 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.844 7.678 1.269 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.556 7.502 -0.451 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.621 9.159 -1.014 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.608 7.734 -1.271 1.00 0.00 H new ATOM 1176 N THR A 88 7.430 9.481 -0.899 1.00 0.00 N ATOM 1177 CA THR A 88 6.632 9.777 -2.047 1.00 0.00 C ATOM 1178 C THR A 88 6.118 11.172 -1.945 1.00 0.00 C ATOM 1179 O THR A 88 6.340 11.851 -0.943 1.00 0.00 O ATOM 1180 CB THR A 88 5.512 8.781 -2.112 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.678 8.863 -0.966 1.00 0.00 O ATOM 1182 CG2 THR A 88 6.099 7.360 -2.107 1.00 0.00 C ATOM 0 H THR A 88 6.853 9.342 -0.069 1.00 0.00 H new ATOM 0 HA THR A 88 7.221 9.705 -2.962 1.00 0.00 H new ATOM 0 HB THR A 88 4.940 8.995 -3.015 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.785 8.053 -0.425 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.289 6.632 -2.154 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.752 7.233 -2.970 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.672 7.206 -1.193 1.00 0.00 H new ATOM 1190 N GLY A 89 5.392 11.694 -2.950 1.00 0.00 N ATOM 1191 CA GLY A 89 4.968 13.059 -3.005 1.00 0.00 C ATOM 1192 C GLY A 89 3.617 13.297 -2.422 1.00 0.00 C ATOM 1193 O GLY A 89 3.477 13.827 -1.321 1.00 0.00 O ATOM 0 H GLY A 89 5.089 11.145 -3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.695 13.676 -2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.967 13.387 -4.044 1.00 0.00 H new ATOM 1197 N GLN A 90 2.551 12.899 -3.139 1.00 0.00 N ATOM 1198 CA GLN A 90 1.200 13.101 -2.718 1.00 0.00 C ATOM 1199 C GLN A 90 0.380 11.898 -3.036 1.00 0.00 C ATOM 1200 O GLN A 90 -0.061 11.211 -2.117 1.00 0.00 O ATOM 1201 CB GLN A 90 0.563 14.382 -3.282 1.00 0.00 C ATOM 1202 CG GLN A 90 -0.783 14.706 -2.631 1.00 0.00 C ATOM 1203 CD GLN A 90 -1.243 16.129 -2.910 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -2.231 16.368 -3.604 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.516 17.118 -2.326 1.00 0.00 N ATOM 0 H GLN A 90 2.631 12.423 -4.038 1.00 0.00 H new ATOM 0 HA GLN A 90 1.224 13.244 -1.638 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.245 15.219 -3.133 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.425 14.271 -4.358 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.536 14.007 -2.996 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.706 14.558 -1.554 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.298 16.885 -1.757 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.784 18.093 -2.457 1.00 0.00 H new ATOM 1214 N VAL A 91 0.161 11.576 -4.324 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.551 10.391 -4.692 1.00 0.00 C ATOM 1216 C VAL A 91 0.292 9.183 -4.471 1.00 0.00 C ATOM 1217 O VAL A 91 1.325 8.959 -5.100 1.00 0.00 O ATOM 1218 CB VAL A 91 -1.106 10.342 -6.084 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.687 8.957 -6.418 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -2.211 11.406 -6.183 1.00 0.00 C ATOM 0 H VAL A 91 0.478 12.139 -5.113 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.421 10.410 -4.036 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.305 10.535 -6.797 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.079 8.963 -7.435 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.903 8.204 -6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.491 8.722 -5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.637 11.396 -7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.993 11.188 -5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.788 12.390 -5.978 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.174 8.341 -3.530 1.00 0.00 N ATOM 1231 CA VAL A 92 0.329 7.028 -3.270 1.00 0.00 C ATOM 1232 C VAL A 92 -0.674 6.072 -3.818 1.00 0.00 C ATOM 1233 O VAL A 92 -1.745 5.847 -3.254 1.00 0.00 O ATOM 1234 CB VAL A 92 0.521 6.853 -1.793 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.945 5.413 -1.456 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.619 7.831 -1.340 1.00 0.00 C ATOM 0 H VAL A 92 -0.948 8.593 -2.915 1.00 0.00 H new ATOM 0 HA VAL A 92 1.297 6.855 -3.740 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.419 7.053 -1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.077 5.315 -0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.175 4.719 -1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.884 5.183 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.780 7.726 -0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.545 7.609 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.310 8.853 -1.562 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.367 5.477 -4.984 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.154 4.459 -5.608 1.00 0.00 C ATOM 1248 C HIS A 93 -0.829 3.143 -4.990 1.00 0.00 C ATOM 1249 O HIS A 93 0.172 2.514 -5.331 1.00 0.00 O ATOM 1250 CB HIS A 93 -0.943 4.462 -7.131 1.00 0.00 C ATOM 1251 CG HIS A 93 -2.121 3.983 -7.927 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -2.374 4.555 -9.157 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -3.078 3.066 -7.622 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -3.495 3.995 -9.574 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -3.965 3.085 -8.678 1.00 0.00 N ATOM 0 H HIS A 93 0.469 5.717 -5.517 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.213 4.657 -5.445 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.695 5.475 -7.448 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -0.083 3.835 -7.366 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.132 2.450 -6.736 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -3.979 4.230 -10.510 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -4.812 2.524 -8.770 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.648 2.684 -4.027 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.453 1.494 -3.260 1.00 0.00 C ATOM 1265 C LEU A 94 -2.004 0.334 -4.016 1.00 0.00 C ATOM 1266 O LEU A 94 -3.209 0.211 -4.226 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.188 1.579 -1.911 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.509 2.359 -0.772 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.008 1.841 0.588 1.00 0.00 C ATOM 1270 CD2 LEU A 94 0.019 2.190 -0.754 1.00 0.00 C ATOM 0 H LEU A 94 -2.502 3.178 -3.768 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.385 1.375 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.165 2.029 -2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.365 0.562 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.760 3.406 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.523 2.398 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.088 1.975 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.767 0.782 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.439 2.764 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.267 1.136 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.436 2.549 -1.695 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.115 -0.583 -4.438 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.502 -1.859 -4.958 1.00 0.00 C ATOM 1284 C LEU A 95 -1.593 -2.800 -3.806 1.00 0.00 C ATOM 1285 O LEU A 95 -0.580 -3.227 -3.253 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.463 -2.342 -5.985 1.00 0.00 C ATOM 1287 CG LEU A 95 -1.080 -2.935 -7.263 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.033 -3.632 -8.063 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.255 -3.892 -6.996 1.00 0.00 C ATOM 0 H LEU A 95 -0.106 -0.435 -4.418 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.464 -1.801 -5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.180 -1.505 -6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.173 -3.094 -5.518 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.510 -2.115 -7.839 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.386 -4.059 -8.974 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.803 -2.906 -8.324 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.473 -4.426 -7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.639 -4.270 -7.944 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.913 -4.726 -6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.047 -3.358 -6.471 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.836 -3.099 -3.390 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.180 -3.881 -2.244 1.00 0.00 C ATOM 1303 C LEU A 96 -3.731 -5.201 -2.662 1.00 0.00 C ATOM 1304 O LEU A 96 -4.467 -5.294 -3.643 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.256 -3.167 -1.408 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.765 -1.898 -0.688 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.740 -0.730 -0.912 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -3.568 -2.160 0.814 1.00 0.00 C ATOM 0 H LEU A 96 -3.660 -2.769 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.273 -4.018 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.088 -2.901 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.644 -3.864 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.800 -1.623 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.372 0.156 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.817 -0.520 -1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.723 -0.996 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.221 -1.248 1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.515 -2.469 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.828 -2.949 0.952 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.415 -6.278 -1.921 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.001 -7.572 -2.080 1.00 0.00 C ATOM 1322 C GLU A 97 -4.786 -7.877 -0.851 1.00 0.00 C ATOM 1323 O GLU A 97 -4.325 -7.732 0.280 1.00 0.00 O ATOM 1324 CB GLU A 97 -2.971 -8.681 -2.356 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.526 -10.095 -2.533 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.481 -11.176 -2.771 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.249 -10.964 -2.611 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.909 -12.314 -3.102 1.00 0.00 O ATOM 0 H GLU A 97 -2.719 -6.245 -1.177 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.644 -7.548 -2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.417 -8.416 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.255 -8.695 -1.534 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.100 -10.357 -1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.221 -10.093 -3.373 1.00 0.00 H new ATOM 1335 N LYS A 98 -6.050 -8.287 -1.067 1.00 0.00 N ATOM 1336 CA LYS A 98 -7.064 -8.478 -0.077 1.00 0.00 C ATOM 1337 C LYS A 98 -6.830 -9.672 0.782 1.00 0.00 C ATOM 1338 O LYS A 98 -6.712 -10.793 0.287 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.401 -8.635 -0.821 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.678 -8.329 -0.035 1.00 0.00 C ATOM 1341 CD LYS A 98 -9.886 -6.825 0.151 1.00 0.00 C ATOM 1342 CE LYS A 98 -11.247 -6.401 0.707 1.00 0.00 C ATOM 1343 NZ LYS A 98 -12.334 -6.826 -0.203 1.00 0.00 N ATOM 0 H LYS A 98 -6.386 -8.501 -2.006 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.061 -7.618 0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.379 -7.986 -1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.466 -9.660 -1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.536 -8.752 -0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.628 -8.812 0.941 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.110 -6.451 0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.741 -6.336 -0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.397 -6.841 1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.273 -5.319 0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.218 -6.349 0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.087 -6.572 -1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.462 -7.856 -0.134 1.00 0.00 H new ATOM 1434 N LEU B 206 9.038 -2.257 14.563 1.00 0.00 N ATOM 1435 CA LEU B 206 8.433 -1.977 13.297 1.00 0.00 C ATOM 1436 C LEU B 206 7.257 -1.109 13.586 1.00 0.00 C ATOM 1437 O LEU B 206 7.239 -0.459 14.630 1.00 0.00 O ATOM 1438 CB LEU B 206 8.082 -3.247 12.505 1.00 0.00 C ATOM 1439 CG LEU B 206 6.881 -4.114 12.917 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.069 -5.482 12.239 1.00 0.00 C ATOM 1441 CD2 LEU B 206 6.720 -4.364 14.427 1.00 0.00 C ATOM 0 HA LEU B 206 9.130 -1.462 12.636 1.00 0.00 H new ATOM 0 HB2 LEU B 206 7.923 -2.947 11.469 1.00 0.00 H new ATOM 0 HB3 LEU B 206 8.963 -3.889 12.519 1.00 0.00 H new ATOM 0 HG LEU B 206 5.988 -3.569 12.612 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.238 -6.136 12.502 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.099 -5.351 11.157 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.004 -5.930 12.576 1.00 0.00 H new ATOM 0 HD21 LEU B 206 5.842 -4.986 14.601 1.00 0.00 H new ATOM 0 HD22 LEU B 206 7.606 -4.872 14.808 1.00 0.00 H new ATOM 0 HD23 LEU B 206 6.598 -3.411 14.943 1.00 0.00 H new ATOM 1453 N VAL B 207 6.233 -1.071 12.714 1.00 0.00 N ATOM 1454 CA VAL B 207 5.002 -0.387 12.957 1.00 0.00 C ATOM 1455 C VAL B 207 5.161 1.094 13.022 1.00 0.00 C ATOM 1456 O VAL B 207 5.483 1.724 14.027 1.00 0.00 O ATOM 1457 CB VAL B 207 4.148 -1.055 13.992 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.181 -0.109 14.724 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.394 -2.205 13.303 1.00 0.00 C ATOM 0 H VAL B 207 6.264 -1.534 11.806 1.00 0.00 H new ATOM 0 HA VAL B 207 4.376 -0.495 12.071 1.00 0.00 H new ATOM 0 HB VAL B 207 4.802 -1.428 14.781 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.602 -0.674 15.454 1.00 0.00 H new ATOM 0 HG12 VAL B 207 3.749 0.669 15.234 1.00 0.00 H new ATOM 0 HG13 VAL B 207 2.505 0.350 14.002 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.762 -2.713 14.031 1.00 0.00 H new ATOM 0 HG22 VAL B 207 2.774 -1.805 12.501 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.111 -2.913 12.888 1.00 0.00 H new ATOM 1469 N THR B 208 4.983 1.712 11.840 1.00 0.00 N ATOM 1470 CA THR B 208 5.186 3.109 11.614 1.00 0.00 C ATOM 1471 C THR B 208 4.009 3.494 10.785 1.00 0.00 C ATOM 1472 O THR B 208 3.757 2.823 9.786 1.00 0.00 O ATOM 1473 CB THR B 208 6.413 3.389 10.799 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.563 2.848 11.432 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.669 4.893 10.597 1.00 0.00 C ATOM 0 H THR B 208 4.683 1.213 11.002 1.00 0.00 H new ATOM 0 HA THR B 208 5.300 3.642 12.558 1.00 0.00 H new ATOM 0 HB THR B 208 6.234 2.926 9.829 1.00 0.00 H new ATOM 0 HG1 THR B 208 7.720 1.938 11.104 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.570 5.032 10.000 1.00 0.00 H new ATOM 0 HG22 THR B 208 5.819 5.341 10.081 1.00 0.00 H new ATOM 0 HG23 THR B 208 6.799 5.373 11.567 1.00 0.00 H new ATOM 1483 N SER B 209 3.268 4.549 11.170 1.00 0.00 N ATOM 1484 CA SER B 209 2.216 5.121 10.387 1.00 0.00 C ATOM 1485 C SER B 209 2.814 5.867 9.245 1.00 0.00 C ATOM 1486 O SER B 209 3.585 6.804 9.447 1.00 0.00 O ATOM 1487 CB SER B 209 1.362 6.149 11.148 1.00 0.00 C ATOM 1488 OG SER B 209 0.580 5.542 12.168 1.00 0.00 O ATOM 0 H SER B 209 3.407 5.023 12.063 1.00 0.00 H new ATOM 0 HA SER B 209 1.584 4.285 10.088 1.00 0.00 H new ATOM 0 HB2 SER B 209 2.012 6.904 11.591 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.706 6.665 10.447 1.00 0.00 H new ATOM 0 HG SER B 209 0.054 6.228 12.629 1.00 0.00 H new ATOM 1494 N VAL B 210 2.491 5.484 7.996 1.00 0.00 N ATOM 1495 CA VAL B 210 3.068 6.059 6.820 1.00 0.00 C ATOM 1496 C VAL B 210 1.902 6.229 5.856 1.00 0.00 C ATOM 1497 O VAL B 210 0.796 5.678 6.106 1.00 0.00 O ATOM 1498 CB VAL B 210 4.144 5.247 6.164 1.00 0.00 C ATOM 1499 CG1 VAL B 210 5.453 5.428 6.949 1.00 0.00 C ATOM 1500 CG2 VAL B 210 3.743 3.765 6.077 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.078 7.017 4.889 1.00 0.00 O ATOM 0 H VAL B 210 1.808 4.753 7.799 1.00 0.00 H new ATOM 0 HA VAL B 210 3.571 6.986 7.097 1.00 0.00 H new ATOM 0 HB VAL B 210 4.289 5.596 5.142 1.00 0.00 H new ATOM 0 HG11 VAL B 210 6.243 4.841 6.480 1.00 0.00 H new ATOM 0 HG12 VAL B 210 5.735 6.481 6.949 1.00 0.00 H new ATOM 0 HG13 VAL B 210 5.311 5.090 7.976 1.00 0.00 H new ATOM 0 HG21 VAL B 210 4.542 3.200 5.597 1.00 0.00 H new ATOM 0 HG22 VAL B 210 3.574 3.374 7.080 1.00 0.00 H new ATOM 0 HG23 VAL B 210 2.828 3.669 5.492 1.00 0.00 H new