USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 657 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 57 GLN :FLIP amide:sc= -1.16 F(o=-4.1!,f=-2.7) USER MOD Set 1.2: A 62 CYS SG : rot 111:sc= -1.59 USER MOD Set 2.1: A 30 CYS SG : rot 126:sc= -0.409! USER MOD Set 2.2: A 79 CYS SG : rot 97:sc= 0.163 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 18 GLN : amide:sc= -1.82! C(o=-1.8!,f=-3.4!) USER MOD Single : A 25 THR OG1 : rot 170:sc= -0.0284 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 33 ASN : amide:sc= -3.37 K(o=-3.4,f=-16!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -91:sc= 0.625 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.154 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 144:sc= 0.0021 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 71 MET CE :methyl 154:sc= -1.38 (180deg=-3.15!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.442 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -95:sc= -1.75! USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 86 THR OG1 : rot 170:sc= -0.0641 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -147:sc= -0.135 (180deg=-0.764) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -13.866 16.331 4.646 1.00 0.00 N ATOM 81 CA ALA A 9 -13.135 16.297 3.385 1.00 0.00 C ATOM 82 C ALA A 9 -13.549 15.095 2.543 1.00 0.00 C ATOM 83 O ALA A 9 -13.523 13.958 3.012 1.00 0.00 O ATOM 84 CB ALA A 9 -11.636 16.271 3.645 1.00 0.00 C ATOM 0 HA ALA A 9 -13.380 17.200 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.102 16.246 2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.347 17.164 4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.383 15.385 4.227 1.00 0.00 H new ATOM 90 N ARG A 10 -13.931 15.356 1.297 1.00 0.00 N ATOM 91 CA ARG A 10 -14.353 14.295 0.390 1.00 0.00 C ATOM 92 C ARG A 10 -13.262 13.987 -0.632 1.00 0.00 C ATOM 93 O ARG A 10 -12.377 14.808 -0.877 1.00 0.00 O ATOM 94 CB ARG A 10 -15.643 14.693 -0.330 1.00 0.00 C ATOM 95 CG ARG A 10 -15.465 15.843 -1.307 1.00 0.00 C ATOM 96 CD ARG A 10 -16.683 16.007 -2.203 1.00 0.00 C ATOM 97 NE ARG A 10 -16.335 16.575 -3.502 1.00 0.00 N ATOM 98 CZ ARG A 10 -17.218 17.138 -4.319 1.00 0.00 C ATOM 99 NH1 ARG A 10 -18.496 17.209 -3.972 1.00 0.00 N ATOM 100 NH2 ARG A 10 -16.824 17.632 -5.486 1.00 0.00 N ATOM 0 H ARG A 10 -13.957 16.292 0.893 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.537 13.398 0.981 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.031 13.828 -0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.392 14.970 0.412 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.291 16.767 -0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.582 15.667 -1.921 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -17.160 15.037 -2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.412 16.650 -1.710 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.360 16.537 -3.799 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.803 16.831 -3.076 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.172 17.642 -4.601 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.842 17.580 -5.757 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.503 18.064 -6.112 1.00 0.00 H new ATOM 114 N PHE A 11 -13.331 12.800 -1.224 1.00 0.00 N ATOM 115 CA PHE A 11 -12.349 12.383 -2.218 1.00 0.00 C ATOM 116 C PHE A 11 -12.704 12.932 -3.597 1.00 0.00 C ATOM 117 O PHE A 11 -13.555 12.381 -4.296 1.00 0.00 O ATOM 118 CB PHE A 11 -12.262 10.857 -2.271 1.00 0.00 C ATOM 119 CG PHE A 11 -11.634 10.249 -1.050 1.00 0.00 C ATOM 120 CD1 PHE A 11 -10.256 10.230 -0.900 1.00 0.00 C ATOM 121 CD2 PHE A 11 -12.420 9.698 -0.051 1.00 0.00 C ATOM 122 CE1 PHE A 11 -9.676 9.671 0.223 1.00 0.00 C ATOM 123 CE2 PHE A 11 -11.845 9.138 1.074 1.00 0.00 C ATOM 124 CZ PHE A 11 -10.471 9.125 1.212 1.00 0.00 C ATOM 0 H PHE A 11 -14.057 12.109 -1.033 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.379 12.785 -1.925 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.265 10.448 -2.396 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.687 10.564 -3.149 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.629 10.657 -1.669 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.495 9.706 -0.153 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.601 9.661 0.327 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.470 8.711 1.845 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.019 8.689 2.091 1.00 0.00 H new ATOM 134 N ILE A 12 -12.045 14.020 -3.981 1.00 0.00 N ATOM 135 CA ILE A 12 -12.291 14.643 -5.276 1.00 0.00 C ATOM 136 C ILE A 12 -11.826 13.744 -6.416 1.00 0.00 C ATOM 137 O ILE A 12 -12.410 13.746 -7.499 1.00 0.00 O ATOM 138 CB ILE A 12 -11.580 16.005 -5.389 1.00 0.00 C ATOM 139 CG1 ILE A 12 -10.069 15.831 -5.225 1.00 0.00 C ATOM 140 CG2 ILE A 12 -12.123 16.974 -4.350 1.00 0.00 C ATOM 141 CD1 ILE A 12 -9.275 17.068 -5.585 1.00 0.00 C ATOM 0 H ILE A 12 -11.337 14.488 -3.415 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.367 14.796 -5.353 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.774 16.418 -6.379 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.853 15.558 -4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.737 15.002 -5.850 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.611 17.932 -4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -13.192 17.117 -4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.956 16.568 -3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.212 16.872 -5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.461 17.330 -6.627 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.579 17.895 -4.943 1.00 0.00 H new ATOM 153 N GLU A 13 -10.772 12.974 -6.163 1.00 0.00 N ATOM 154 CA GLU A 13 -10.230 12.068 -7.169 1.00 0.00 C ATOM 155 C GLU A 13 -10.245 10.627 -6.667 1.00 0.00 C ATOM 156 O GLU A 13 -9.775 10.336 -5.567 1.00 0.00 O ATOM 157 CB GLU A 13 -8.802 12.476 -7.539 1.00 0.00 C ATOM 158 CG GLU A 13 -8.735 13.638 -8.515 1.00 0.00 C ATOM 159 CD GLU A 13 -7.407 13.712 -9.243 1.00 0.00 C ATOM 160 OE1 GLU A 13 -6.359 13.542 -8.586 1.00 0.00 O ATOM 161 OE2 GLU A 13 -7.417 13.941 -10.471 1.00 0.00 O ATOM 0 H GLU A 13 -10.277 12.960 -5.271 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.860 12.132 -8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.263 12.744 -6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.289 11.618 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.540 13.542 -9.244 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.902 14.571 -7.976 1.00 0.00 H new ATOM 168 N ASP A 14 -10.788 9.729 -7.482 1.00 0.00 N ATOM 169 CA ASP A 14 -10.864 8.317 -7.122 1.00 0.00 C ATOM 170 C ASP A 14 -9.645 7.559 -7.638 1.00 0.00 C ATOM 171 O ASP A 14 -9.264 7.691 -8.801 1.00 0.00 O ATOM 172 CB ASP A 14 -12.143 7.694 -7.684 1.00 0.00 C ATOM 173 CG ASP A 14 -13.369 8.543 -7.410 1.00 0.00 C ATOM 174 OD1 ASP A 14 -13.472 9.642 -7.993 1.00 0.00 O ATOM 175 OD2 ASP A 14 -14.226 8.109 -6.611 1.00 0.00 O ATOM 0 H ASP A 14 -11.182 9.953 -8.396 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.881 8.245 -6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.034 7.555 -8.760 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.284 6.705 -7.248 1.00 0.00 H new ATOM 180 N VAL A 15 -9.036 6.763 -6.764 1.00 0.00 N ATOM 181 CA VAL A 15 -7.860 5.983 -7.131 1.00 0.00 C ATOM 182 C VAL A 15 -8.144 5.096 -8.338 1.00 0.00 C ATOM 183 O VAL A 15 -9.299 4.837 -8.675 1.00 0.00 O ATOM 184 CB VAL A 15 -7.385 5.101 -5.961 1.00 0.00 C ATOM 185 CG1 VAL A 15 -7.029 5.959 -4.756 1.00 0.00 C ATOM 186 CG2 VAL A 15 -8.449 4.076 -5.600 1.00 0.00 C ATOM 0 H VAL A 15 -9.338 6.642 -5.797 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.074 6.695 -7.383 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.489 4.565 -6.273 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.696 5.319 -3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.230 6.650 -5.025 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.906 6.524 -4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.096 3.462 -4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.364 4.590 -5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.650 3.441 -6.463 1.00 0.00 H new ATOM 196 N LYS A 16 -7.081 4.632 -8.987 1.00 0.00 N ATOM 197 CA LYS A 16 -7.213 3.772 -10.157 1.00 0.00 C ATOM 198 C LYS A 16 -6.948 2.315 -9.794 1.00 0.00 C ATOM 199 O LYS A 16 -6.153 2.023 -8.902 1.00 0.00 O ATOM 200 CB LYS A 16 -6.246 4.219 -11.256 1.00 0.00 C ATOM 201 CG LYS A 16 -6.271 5.715 -11.517 1.00 0.00 C ATOM 202 CD LYS A 16 -7.630 6.170 -12.023 1.00 0.00 C ATOM 203 CE LYS A 16 -7.579 7.595 -12.551 1.00 0.00 C ATOM 204 NZ LYS A 16 -8.572 7.820 -13.639 1.00 0.00 N ATOM 0 H LYS A 16 -6.118 4.838 -8.722 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.236 3.856 -10.525 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.234 3.924 -10.980 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.490 3.694 -12.179 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.026 6.250 -10.599 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.505 5.970 -12.249 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.968 5.500 -12.813 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.360 6.106 -11.216 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.771 8.292 -11.735 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.577 7.808 -12.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.506 8.803 -13.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.374 7.173 -14.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.530 7.641 -13.277 1.00 0.00 H new ATOM 218 N ASN A 17 -7.619 1.404 -10.492 1.00 0.00 N ATOM 219 CA ASN A 17 -7.455 -0.023 -10.243 1.00 0.00 C ATOM 220 C ASN A 17 -5.990 -0.366 -9.989 1.00 0.00 C ATOM 221 O ASN A 17 -5.091 0.254 -10.555 1.00 0.00 O ATOM 222 CB ASN A 17 -7.981 -0.833 -11.430 1.00 0.00 C ATOM 223 CG ASN A 17 -6.920 -1.067 -12.487 1.00 0.00 C ATOM 224 OD1 ASN A 17 -6.516 -2.203 -12.736 1.00 0.00 O ATOM 225 ND2 ASN A 17 -6.461 0.010 -13.113 1.00 0.00 N ATOM 0 H ASN A 17 -8.281 1.629 -11.234 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.030 -0.279 -9.353 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.353 -1.794 -11.074 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.826 -0.310 -11.877 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.745 -0.085 -13.833 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.825 0.933 -12.874 1.00 0.00 H new ATOM 232 N GLN A 18 -5.760 -1.358 -9.135 1.00 0.00 N ATOM 233 CA GLN A 18 -4.404 -1.783 -8.806 1.00 0.00 C ATOM 234 C GLN A 18 -4.096 -3.143 -9.422 1.00 0.00 C ATOM 235 O GLN A 18 -4.963 -4.014 -9.492 1.00 0.00 O ATOM 236 CB GLN A 18 -4.220 -1.843 -7.289 1.00 0.00 C ATOM 237 CG GLN A 18 -2.777 -1.665 -6.843 1.00 0.00 C ATOM 238 CD GLN A 18 -2.190 -0.339 -7.285 1.00 0.00 C ATOM 239 OE1 GLN A 18 -1.038 -0.270 -7.717 1.00 0.00 O ATOM 240 NE2 GLN A 18 -2.979 0.723 -7.180 1.00 0.00 N ATOM 0 H GLN A 18 -6.494 -1.882 -8.659 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.710 -1.052 -9.220 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.833 -1.069 -6.826 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.589 -2.802 -6.924 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.725 -1.737 -5.757 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.173 -2.478 -7.246 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.927 0.620 -6.817 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.638 1.642 -7.463 1.00 0.00 H new ATOM 249 N GLU A 19 -2.856 -3.319 -9.867 1.00 0.00 N ATOM 250 CA GLU A 19 -2.434 -4.574 -10.479 1.00 0.00 C ATOM 251 C GLU A 19 -0.916 -4.718 -10.435 1.00 0.00 C ATOM 252 O GLU A 19 -0.185 -3.838 -10.890 1.00 0.00 O ATOM 253 CB GLU A 19 -2.923 -4.651 -11.927 1.00 0.00 C ATOM 254 CG GLU A 19 -2.483 -5.911 -12.652 1.00 0.00 C ATOM 255 CD GLU A 19 -3.192 -6.099 -13.979 1.00 0.00 C ATOM 256 OE1 GLU A 19 -4.440 -6.136 -13.984 1.00 0.00 O ATOM 257 OE2 GLU A 19 -2.499 -6.209 -15.012 1.00 0.00 O ATOM 0 H GLU A 19 -2.126 -2.609 -9.815 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.876 -5.392 -9.910 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.012 -4.598 -11.937 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.556 -3.781 -12.472 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.407 -5.871 -12.822 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.673 -6.776 -12.017 1.00 0.00 H new ATOM 264 N ALA A 20 -0.449 -5.833 -9.883 1.00 0.00 N ATOM 265 CA ALA A 20 0.982 -6.093 -9.780 1.00 0.00 C ATOM 266 C ALA A 20 1.258 -7.584 -9.614 1.00 0.00 C ATOM 267 O ALA A 20 0.483 -8.301 -8.981 1.00 0.00 O ATOM 268 CB ALA A 20 1.579 -5.311 -8.620 1.00 0.00 C ATOM 0 H ALA A 20 -1.040 -6.571 -9.500 1.00 0.00 H new ATOM 0 HA ALA A 20 1.454 -5.764 -10.706 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.648 -5.515 -8.555 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.422 -4.244 -8.781 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.095 -5.612 -7.691 1.00 0.00 H new ATOM 274 N ARG A 21 2.366 -8.043 -10.187 1.00 0.00 N ATOM 275 CA ARG A 21 2.742 -9.449 -10.103 1.00 0.00 C ATOM 276 C ARG A 21 3.101 -9.831 -8.670 1.00 0.00 C ATOM 277 O ARG A 21 3.586 -9.003 -7.900 1.00 0.00 O ATOM 278 CB ARG A 21 3.924 -9.738 -11.031 1.00 0.00 C ATOM 279 CG ARG A 21 3.541 -9.813 -12.500 1.00 0.00 C ATOM 280 CD ARG A 21 3.187 -11.234 -12.912 1.00 0.00 C ATOM 281 NE ARG A 21 2.471 -11.273 -14.184 1.00 0.00 N ATOM 282 CZ ARG A 21 3.074 -11.276 -15.367 1.00 0.00 C ATOM 283 NH1 ARG A 21 4.398 -11.242 -15.440 1.00 0.00 N ATOM 284 NH2 ARG A 21 2.353 -11.312 -16.481 1.00 0.00 N ATOM 0 H ARG A 21 3.018 -7.462 -10.714 1.00 0.00 H new ATOM 0 HA ARG A 21 1.887 -10.048 -10.417 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.677 -8.961 -10.900 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.385 -10.681 -10.736 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.692 -9.156 -12.690 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.367 -9.451 -13.112 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.099 -11.826 -12.991 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.574 -11.694 -12.137 1.00 0.00 H new ATOM 0 HE ARG A 21 1.452 -11.299 -14.163 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.955 -11.213 -14.586 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.859 -11.244 -16.350 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.335 -11.337 -16.429 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.817 -11.314 -17.389 1.00 0.00 H new ATOM 298 N GLU A 22 2.858 -11.091 -8.321 1.00 0.00 N ATOM 299 CA GLU A 22 3.155 -11.582 -6.980 1.00 0.00 C ATOM 300 C GLU A 22 4.539 -11.125 -6.527 1.00 0.00 C ATOM 301 O GLU A 22 5.428 -10.898 -7.346 1.00 0.00 O ATOM 302 CB GLU A 22 3.072 -13.109 -6.942 1.00 0.00 C ATOM 303 CG GLU A 22 1.695 -13.635 -6.572 1.00 0.00 C ATOM 304 CD GLU A 22 1.686 -15.133 -6.341 1.00 0.00 C ATOM 305 OE1 GLU A 22 2.661 -15.649 -5.753 1.00 0.00 O ATOM 306 OE2 GLU A 22 0.705 -15.791 -6.747 1.00 0.00 O ATOM 0 H GLU A 22 2.457 -11.789 -8.947 1.00 0.00 H new ATOM 0 HA GLU A 22 2.413 -11.168 -6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.352 -13.504 -7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.801 -13.486 -6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.347 -13.130 -5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.991 -13.389 -7.367 1.00 0.00 H new ATOM 313 N GLY A 23 4.712 -10.991 -5.216 1.00 0.00 N ATOM 314 CA GLY A 23 5.989 -10.562 -4.676 1.00 0.00 C ATOM 315 C GLY A 23 6.304 -9.118 -5.013 1.00 0.00 C ATOM 316 O GLY A 23 7.470 -8.742 -5.131 1.00 0.00 O ATOM 0 H GLY A 23 3.991 -11.172 -4.518 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.983 -10.686 -3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.779 -11.204 -5.066 1.00 0.00 H new ATOM 320 N ALA A 24 5.263 -8.308 -5.171 1.00 0.00 N ATOM 321 CA ALA A 24 5.435 -6.897 -5.497 1.00 0.00 C ATOM 322 C ALA A 24 4.778 -6.007 -4.447 1.00 0.00 C ATOM 323 O ALA A 24 4.210 -6.497 -3.470 1.00 0.00 O ATOM 324 CB ALA A 24 4.864 -6.600 -6.876 1.00 0.00 C ATOM 0 H ALA A 24 4.291 -8.604 -5.079 1.00 0.00 H new ATOM 0 HA ALA A 24 6.503 -6.679 -5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.999 -5.543 -7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.382 -7.203 -7.622 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.801 -6.841 -6.889 1.00 0.00 H new ATOM 330 N THR A 25 4.859 -4.697 -4.654 1.00 0.00 N ATOM 331 CA THR A 25 4.274 -3.738 -3.725 1.00 0.00 C ATOM 332 C THR A 25 3.288 -2.817 -4.434 1.00 0.00 C ATOM 333 O THR A 25 3.684 -1.948 -5.210 1.00 0.00 O ATOM 334 CB THR A 25 5.359 -2.883 -3.043 1.00 0.00 C ATOM 335 OG1 THR A 25 6.298 -3.729 -2.370 1.00 0.00 O ATOM 336 CG2 THR A 25 4.738 -1.914 -2.048 1.00 0.00 C ATOM 0 H THR A 25 5.324 -4.275 -5.458 1.00 0.00 H new ATOM 0 HA THR A 25 3.746 -4.315 -2.966 1.00 0.00 H new ATOM 0 HB THR A 25 5.875 -2.308 -3.812 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.067 -3.197 -2.078 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.523 -1.321 -1.579 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.045 -1.252 -2.568 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.200 -2.473 -1.283 1.00 0.00 H new ATOM 344 N ALA A 26 2.002 -3.012 -4.162 1.00 0.00 N ATOM 345 CA ALA A 26 0.959 -2.197 -4.772 1.00 0.00 C ATOM 346 C ALA A 26 1.075 -0.741 -4.333 1.00 0.00 C ATOM 347 O ALA A 26 1.751 -0.428 -3.353 1.00 0.00 O ATOM 348 CB ALA A 26 -0.415 -2.748 -4.421 1.00 0.00 C ATOM 0 H ALA A 26 1.657 -3.728 -3.523 1.00 0.00 H new ATOM 0 HA ALA A 26 1.088 -2.235 -5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.184 -2.129 -4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.502 -3.770 -4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.545 -2.740 -3.339 1.00 0.00 H new ATOM 354 N VAL A 27 0.410 0.148 -5.066 1.00 0.00 N ATOM 355 CA VAL A 27 0.438 1.571 -4.752 1.00 0.00 C ATOM 356 C VAL A 27 -0.903 2.228 -5.062 1.00 0.00 C ATOM 357 O VAL A 27 -1.326 2.287 -6.217 1.00 0.00 O ATOM 358 CB VAL A 27 1.546 2.297 -5.537 1.00 0.00 C ATOM 359 CG1 VAL A 27 1.501 3.793 -5.265 1.00 0.00 C ATOM 360 CG2 VAL A 27 2.911 1.725 -5.184 1.00 0.00 C ATOM 0 H VAL A 27 -0.154 -0.093 -5.881 1.00 0.00 H new ATOM 0 HA VAL A 27 0.644 1.656 -3.685 1.00 0.00 H new ATOM 0 HB VAL A 27 1.375 2.140 -6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.291 4.289 -5.828 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.533 4.190 -5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.646 3.974 -4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.682 2.250 -5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.093 1.850 -4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.937 0.664 -5.434 1.00 0.00 H new ATOM 370 N LEU A 28 -1.567 2.721 -4.022 1.00 0.00 N ATOM 371 CA LEU A 28 -2.861 3.376 -4.182 1.00 0.00 C ATOM 372 C LEU A 28 -2.774 4.853 -3.814 1.00 0.00 C ATOM 373 O LEU A 28 -2.546 5.201 -2.656 1.00 0.00 O ATOM 374 CB LEU A 28 -3.915 2.684 -3.316 1.00 0.00 C ATOM 375 CG LEU A 28 -4.422 1.334 -3.825 1.00 0.00 C ATOM 376 CD1 LEU A 28 -4.823 0.441 -2.661 1.00 0.00 C ATOM 377 CD2 LEU A 28 -5.592 1.528 -4.779 1.00 0.00 C ATOM 0 H LEU A 28 -1.231 2.680 -3.060 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.152 3.299 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.499 2.541 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.768 3.354 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.613 0.846 -4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.181 -0.515 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.960 0.274 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.616 0.923 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.939 0.557 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.404 2.038 -4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.272 2.129 -5.630 1.00 0.00 H new ATOM 389 N GLN A 29 -2.958 5.718 -4.807 1.00 0.00 N ATOM 390 CA GLN A 29 -2.901 7.158 -4.586 1.00 0.00 C ATOM 391 C GLN A 29 -4.266 7.798 -4.816 1.00 0.00 C ATOM 392 O GLN A 29 -5.015 7.385 -5.702 1.00 0.00 O ATOM 393 CB GLN A 29 -1.862 7.796 -5.510 1.00 0.00 C ATOM 394 CG GLN A 29 -0.434 7.377 -5.201 1.00 0.00 C ATOM 395 CD GLN A 29 0.577 8.025 -6.126 1.00 0.00 C ATOM 396 OE1 GLN A 29 0.554 9.237 -6.338 1.00 0.00 O ATOM 397 NE2 GLN A 29 1.473 7.218 -6.683 1.00 0.00 N ATOM 0 H GLN A 29 -3.148 5.446 -5.772 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.610 7.331 -3.550 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.094 7.531 -6.542 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.938 8.881 -5.434 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.198 7.639 -4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.352 6.293 -5.281 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.456 6.219 -6.479 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.178 7.598 -7.314 1.00 0.00 H new ATOM 406 N CYS A 30 -4.583 8.808 -4.014 1.00 0.00 N ATOM 407 CA CYS A 30 -5.858 9.505 -4.129 1.00 0.00 C ATOM 408 C CYS A 30 -5.697 10.989 -3.816 1.00 0.00 C ATOM 409 O CYS A 30 -4.595 11.458 -3.534 1.00 0.00 O ATOM 410 CB CYS A 30 -6.891 8.882 -3.189 1.00 0.00 C ATOM 411 SG CYS A 30 -6.743 9.422 -1.469 1.00 0.00 S ATOM 0 H CYS A 30 -3.974 9.163 -3.277 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.207 9.405 -5.157 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.890 9.126 -3.551 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.794 7.797 -3.228 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.884 9.896 -1.063 1.00 0.00 H new ATOM 417 N GLU A 31 -6.804 11.724 -3.869 1.00 0.00 N ATOM 418 CA GLU A 31 -6.784 13.156 -3.593 1.00 0.00 C ATOM 419 C GLU A 31 -8.002 13.568 -2.771 1.00 0.00 C ATOM 420 O GLU A 31 -9.041 12.908 -2.805 1.00 0.00 O ATOM 421 CB GLU A 31 -6.746 13.949 -4.901 1.00 0.00 C ATOM 422 CG GLU A 31 -6.076 15.306 -4.770 1.00 0.00 C ATOM 423 CD GLU A 31 -5.590 15.848 -6.100 1.00 0.00 C ATOM 424 OE1 GLU A 31 -6.146 15.447 -7.144 1.00 0.00 O ATOM 425 OE2 GLU A 31 -4.652 16.673 -6.097 1.00 0.00 O ATOM 0 H GLU A 31 -7.725 11.352 -4.100 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.886 13.377 -3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.219 13.364 -5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.765 14.090 -5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.779 16.013 -4.329 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.232 15.226 -4.085 1.00 0.00 H new ATOM 432 N LEU A 32 -7.865 14.664 -2.032 1.00 0.00 N ATOM 433 CA LEU A 32 -8.953 15.165 -1.200 1.00 0.00 C ATOM 434 C LEU A 32 -9.188 16.652 -1.449 1.00 0.00 C ATOM 435 O LEU A 32 -8.266 17.385 -1.802 1.00 0.00 O ATOM 436 CB LEU A 32 -8.642 14.927 0.279 1.00 0.00 C ATOM 437 CG LEU A 32 -8.578 13.466 0.724 1.00 0.00 C ATOM 438 CD1 LEU A 32 -7.625 13.307 1.898 1.00 0.00 C ATOM 439 CD2 LEU A 32 -9.966 12.959 1.089 1.00 0.00 C ATOM 0 H LEU A 32 -7.012 15.222 -1.992 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.860 14.623 -1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.687 15.398 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.400 15.435 0.875 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.201 12.869 -0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.592 12.260 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.627 13.631 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.972 13.916 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.902 11.917 1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.370 13.560 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.621 13.036 0.221 1.00 0.00 H new ATOM 451 N ASN A 33 -10.429 17.089 -1.260 1.00 0.00 N ATOM 452 CA ASN A 33 -10.785 18.489 -1.462 1.00 0.00 C ATOM 453 C ASN A 33 -10.038 19.388 -0.482 1.00 0.00 C ATOM 454 O ASN A 33 -9.825 20.571 -0.746 1.00 0.00 O ATOM 455 CB ASN A 33 -12.294 18.682 -1.300 1.00 0.00 C ATOM 456 CG ASN A 33 -12.803 18.163 0.031 1.00 0.00 C ATOM 457 OD1 ASN A 33 -12.075 17.503 0.772 1.00 0.00 O ATOM 458 ND2 ASN A 33 -14.060 18.459 0.340 1.00 0.00 N ATOM 0 H ASN A 33 -11.204 16.494 -0.967 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.496 18.768 -2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.534 19.742 -1.390 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.812 18.168 -2.110 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.458 18.136 1.222 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.628 19.009 -0.305 1.00 0.00 H new ATOM 465 N SER A 34 -9.641 18.817 0.651 1.00 0.00 N ATOM 466 CA SER A 34 -8.920 19.567 1.674 1.00 0.00 C ATOM 467 C SER A 34 -8.055 18.638 2.520 1.00 0.00 C ATOM 468 O SER A 34 -8.460 17.523 2.849 1.00 0.00 O ATOM 469 CB SER A 34 -9.903 20.323 2.569 1.00 0.00 C ATOM 470 OG SER A 34 -9.252 21.368 3.272 1.00 0.00 O ATOM 0 H SER A 34 -9.806 17.838 0.884 1.00 0.00 H new ATOM 0 HA SER A 34 -8.270 20.284 1.173 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.709 20.736 1.962 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.359 19.632 3.278 1.00 0.00 H new ATOM 0 HG SER A 34 -9.902 21.837 3.836 1.00 0.00 H new ATOM 476 N ALA A 35 -6.861 19.106 2.868 1.00 0.00 N ATOM 477 CA ALA A 35 -5.939 18.319 3.677 1.00 0.00 C ATOM 478 C ALA A 35 -6.682 17.544 4.759 1.00 0.00 C ATOM 479 O ALA A 35 -7.324 18.133 5.629 1.00 0.00 O ATOM 480 CB ALA A 35 -4.884 19.221 4.302 1.00 0.00 C ATOM 0 H ALA A 35 -6.510 20.026 2.602 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.446 17.598 3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.202 18.620 4.904 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.325 19.726 3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.369 19.963 4.936 1.00 0.00 H new ATOM 486 N ALA A 36 -6.591 16.219 4.700 1.00 0.00 N ATOM 487 CA ALA A 36 -7.254 15.363 5.676 1.00 0.00 C ATOM 488 C ALA A 36 -6.676 13.952 5.650 1.00 0.00 C ATOM 489 O ALA A 36 -6.190 13.473 4.626 1.00 0.00 O ATOM 490 CB ALA A 36 -8.752 15.327 5.414 1.00 0.00 C ATOM 0 H ALA A 36 -6.064 15.715 3.986 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.080 15.781 6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.235 14.684 6.150 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.159 16.335 5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.937 14.936 4.414 1.00 0.00 H new ATOM 496 N PRO A 37 -6.729 13.269 6.803 1.00 0.00 N ATOM 497 CA PRO A 37 -6.215 11.903 6.939 1.00 0.00 C ATOM 498 C PRO A 37 -7.065 10.886 6.185 1.00 0.00 C ATOM 499 O PRO A 37 -8.073 11.238 5.572 1.00 0.00 O ATOM 500 CB PRO A 37 -6.285 11.646 8.446 1.00 0.00 C ATOM 501 CG PRO A 37 -7.358 12.555 8.937 1.00 0.00 C ATOM 502 CD PRO A 37 -7.294 13.778 8.064 1.00 0.00 C ATOM 0 HA PRO A 37 -5.213 11.801 6.522 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.521 10.603 8.659 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.332 11.862 8.929 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.336 12.078 8.869 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.202 12.814 9.984 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.281 14.216 7.914 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.664 14.552 8.503 1.00 0.00 H new ATOM 510 N VAL A 38 -6.652 9.624 6.234 1.00 0.00 N ATOM 511 CA VAL A 38 -7.378 8.556 5.557 1.00 0.00 C ATOM 512 C VAL A 38 -7.128 7.210 6.228 1.00 0.00 C ATOM 513 O VAL A 38 -6.183 7.058 7.002 1.00 0.00 O ATOM 514 CB VAL A 38 -6.977 8.458 4.073 1.00 0.00 C ATOM 515 CG1 VAL A 38 -7.370 9.726 3.329 1.00 0.00 C ATOM 516 CG2 VAL A 38 -5.485 8.194 3.940 1.00 0.00 C ATOM 0 H VAL A 38 -5.819 9.316 6.735 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.438 8.802 5.625 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.512 7.621 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.079 9.639 2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.449 9.867 3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.864 10.582 3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.220 8.128 2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.929 9.009 4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.236 7.256 4.436 1.00 0.00 H new ATOM 526 N GLU A 39 -7.981 6.236 5.927 1.00 0.00 N ATOM 527 CA GLU A 39 -7.852 4.903 6.502 1.00 0.00 C ATOM 528 C GLU A 39 -8.027 3.829 5.432 1.00 0.00 C ATOM 529 O GLU A 39 -9.140 3.369 5.176 1.00 0.00 O ATOM 530 CB GLU A 39 -8.883 4.702 7.615 1.00 0.00 C ATOM 531 CG GLU A 39 -8.877 3.301 8.205 1.00 0.00 C ATOM 532 CD GLU A 39 -10.031 3.065 9.160 1.00 0.00 C ATOM 533 OE1 GLU A 39 -9.928 3.490 10.330 1.00 0.00 O ATOM 534 OE2 GLU A 39 -11.036 2.456 8.738 1.00 0.00 O ATOM 0 H GLU A 39 -8.769 6.345 5.288 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.851 4.812 6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.692 5.423 8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.876 4.917 7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.924 2.571 7.397 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.936 3.136 8.730 1.00 0.00 H new ATOM 541 N TRP A 40 -6.921 3.436 4.811 1.00 0.00 N ATOM 542 CA TRP A 40 -6.952 2.417 3.768 1.00 0.00 C ATOM 543 C TRP A 40 -7.478 1.094 4.315 1.00 0.00 C ATOM 544 O TRP A 40 -6.826 0.448 5.136 1.00 0.00 O ATOM 545 CB TRP A 40 -5.555 2.219 3.178 1.00 0.00 C ATOM 546 CG TRP A 40 -5.050 3.418 2.434 1.00 0.00 C ATOM 547 CD1 TRP A 40 -4.292 4.437 2.938 1.00 0.00 C ATOM 548 CD2 TRP A 40 -5.268 3.724 1.052 1.00 0.00 C ATOM 549 NE1 TRP A 40 -4.027 5.357 1.952 1.00 0.00 N ATOM 550 CE2 TRP A 40 -4.613 4.942 0.786 1.00 0.00 C ATOM 551 CE3 TRP A 40 -5.951 3.085 0.013 1.00 0.00 C ATOM 552 CZ2 TRP A 40 -4.624 5.533 -0.475 1.00 0.00 C ATOM 553 CZ3 TRP A 40 -5.960 3.673 -1.238 1.00 0.00 C ATOM 554 CH2 TRP A 40 -5.300 4.886 -1.473 1.00 0.00 C ATOM 0 H TRP A 40 -5.992 3.807 5.011 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.626 2.758 2.982 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.859 1.979 3.982 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.571 1.362 2.504 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.951 4.509 3.960 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.482 6.211 2.070 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.462 2.149 0.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -4.117 6.469 -0.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.485 3.189 -2.048 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.325 5.319 -2.462 1.00 0.00 H new ATOM 565 N ARG A 41 -8.659 0.696 3.854 1.00 0.00 N ATOM 566 CA ARG A 41 -9.272 -0.550 4.298 1.00 0.00 C ATOM 567 C ARG A 41 -9.089 -1.648 3.255 1.00 0.00 C ATOM 568 O ARG A 41 -8.460 -1.436 2.218 1.00 0.00 O ATOM 569 CB ARG A 41 -10.761 -0.340 4.577 1.00 0.00 C ATOM 570 CG ARG A 41 -11.043 0.777 5.569 1.00 0.00 C ATOM 571 CD ARG A 41 -12.533 0.919 5.840 1.00 0.00 C ATOM 572 NE ARG A 41 -12.800 1.758 7.005 1.00 0.00 N ATOM 573 CZ ARG A 41 -13.937 1.722 7.691 1.00 0.00 C ATOM 574 NH1 ARG A 41 -14.907 0.893 7.331 1.00 0.00 N ATOM 575 NH2 ARG A 41 -14.105 2.517 8.740 1.00 0.00 N ATOM 0 H ARG A 41 -9.210 1.218 3.173 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.777 -0.861 5.218 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.270 -0.119 3.639 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.185 -1.269 4.958 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.520 0.576 6.504 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.652 1.717 5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.021 1.348 4.965 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.969 -0.068 5.997 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.074 2.407 7.309 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.781 0.280 6.525 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.779 0.868 7.860 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.361 3.156 9.020 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.978 2.489 9.266 1.00 0.00 H new ATOM 589 N LYS A 42 -9.644 -2.822 3.536 1.00 0.00 N ATOM 590 CA LYS A 42 -9.544 -3.955 2.622 1.00 0.00 C ATOM 591 C LYS A 42 -10.506 -5.067 3.027 1.00 0.00 C ATOM 592 O LYS A 42 -10.582 -5.440 4.197 1.00 0.00 O ATOM 593 CB LYS A 42 -8.111 -4.490 2.596 1.00 0.00 C ATOM 594 CG LYS A 42 -7.802 -5.344 1.378 1.00 0.00 C ATOM 595 CD LYS A 42 -6.779 -6.421 1.697 1.00 0.00 C ATOM 596 CE LYS A 42 -6.960 -7.641 0.807 1.00 0.00 C ATOM 597 NZ LYS A 42 -7.888 -8.636 1.412 1.00 0.00 N ATOM 0 H LYS A 42 -10.168 -3.014 4.390 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.815 -3.610 1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.418 -3.649 2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.936 -5.079 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.719 -5.808 1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.426 -4.711 0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.774 -6.020 1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.872 -6.715 2.743 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.345 -7.329 -0.164 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.991 -8.108 0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.985 -9.452 0.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.508 -8.954 2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.820 -8.198 1.557 1.00 0.00 H new ATOM 611 N GLY A 43 -11.239 -5.594 2.051 1.00 0.00 N ATOM 612 CA GLY A 43 -12.185 -6.659 2.326 1.00 0.00 C ATOM 613 C GLY A 43 -12.799 -6.547 3.708 1.00 0.00 C ATOM 614 O GLY A 43 -12.777 -7.503 4.483 1.00 0.00 O ATOM 0 H GLY A 43 -11.194 -5.302 1.075 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.977 -6.640 1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.681 -7.621 2.232 1.00 0.00 H new ATOM 618 N SER A 44 -13.347 -5.377 4.017 1.00 0.00 N ATOM 619 CA SER A 44 -13.965 -5.141 5.316 1.00 0.00 C ATOM 620 C SER A 44 -12.932 -5.241 6.435 1.00 0.00 C ATOM 621 O SER A 44 -13.130 -5.960 7.414 1.00 0.00 O ATOM 622 CB SER A 44 -15.093 -6.145 5.558 1.00 0.00 C ATOM 623 OG SER A 44 -16.271 -5.765 4.867 1.00 0.00 O ATOM 0 H SER A 44 -13.376 -4.577 3.385 1.00 0.00 H new ATOM 0 HA SER A 44 -14.379 -4.133 5.316 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.779 -7.136 5.230 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.300 -6.214 6.626 1.00 0.00 H new ATOM 0 HG SER A 44 -16.977 -6.424 5.036 1.00 0.00 H new ATOM 629 N GLU A 45 -11.829 -4.514 6.281 1.00 0.00 N ATOM 630 CA GLU A 45 -10.765 -4.521 7.277 1.00 0.00 C ATOM 631 C GLU A 45 -9.936 -3.243 7.197 1.00 0.00 C ATOM 632 O GLU A 45 -9.570 -2.792 6.110 1.00 0.00 O ATOM 633 CB GLU A 45 -9.861 -5.741 7.081 1.00 0.00 C ATOM 634 CG GLU A 45 -8.613 -5.449 6.265 1.00 0.00 C ATOM 635 CD GLU A 45 -7.937 -6.710 5.763 1.00 0.00 C ATOM 636 OE1 GLU A 45 -8.364 -7.236 4.714 1.00 0.00 O ATOM 637 OE2 GLU A 45 -6.980 -7.171 6.420 1.00 0.00 O ATOM 0 H GLU A 45 -11.650 -3.913 5.476 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.226 -4.573 8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.565 -6.124 8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.431 -6.529 6.589 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.878 -4.820 5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.909 -4.882 6.874 1.00 0.00 H new ATOM 644 N THR A 46 -9.642 -2.661 8.356 1.00 0.00 N ATOM 645 CA THR A 46 -8.859 -1.434 8.418 1.00 0.00 C ATOM 646 C THR A 46 -7.364 -1.734 8.404 1.00 0.00 C ATOM 647 O THR A 46 -6.885 -2.589 9.150 1.00 0.00 O ATOM 648 CB THR A 46 -9.194 -0.617 9.680 1.00 0.00 C ATOM 649 OG1 THR A 46 -10.575 -0.238 9.666 1.00 0.00 O ATOM 650 CG2 THR A 46 -8.323 0.628 9.766 1.00 0.00 C ATOM 0 H THR A 46 -9.935 -3.021 9.264 1.00 0.00 H new ATOM 0 HA THR A 46 -9.118 -0.849 7.535 1.00 0.00 H new ATOM 0 HB THR A 46 -8.997 -1.240 10.552 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.671 0.632 9.226 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.578 1.189 10.665 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.274 0.336 9.806 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.493 1.252 8.889 1.00 0.00 H new ATOM 658 N LEU A 47 -6.632 -1.027 7.551 1.00 0.00 N ATOM 659 CA LEU A 47 -5.190 -1.217 7.440 1.00 0.00 C ATOM 660 C LEU A 47 -4.437 -0.139 8.213 1.00 0.00 C ATOM 661 O LEU A 47 -4.999 0.901 8.555 1.00 0.00 O ATOM 662 CB LEU A 47 -4.765 -1.198 5.970 1.00 0.00 C ATOM 663 CG LEU A 47 -5.638 -2.003 5.008 1.00 0.00 C ATOM 664 CD1 LEU A 47 -5.310 -1.649 3.566 1.00 0.00 C ATOM 665 CD2 LEU A 47 -5.459 -3.495 5.247 1.00 0.00 C ATOM 0 H LEU A 47 -7.013 -0.317 6.926 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.942 -2.187 7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.746 -0.162 5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.744 -1.574 5.903 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.681 -1.748 5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.941 -2.232 2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.490 -0.587 3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.263 -1.874 3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.088 -4.053 4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.415 -3.766 5.089 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.745 -3.736 6.271 1.00 0.00 H new ATOM 677 N ARG A 48 -3.161 -0.395 8.484 1.00 0.00 N ATOM 678 CA ARG A 48 -2.331 0.554 9.216 1.00 0.00 C ATOM 679 C ARG A 48 -0.912 0.581 8.654 1.00 0.00 C ATOM 680 O ARG A 48 -0.439 -0.404 8.088 1.00 0.00 O ATOM 681 CB ARG A 48 -2.295 0.193 10.702 1.00 0.00 C ATOM 682 CG ARG A 48 -3.648 0.299 11.387 1.00 0.00 C ATOM 683 CD ARG A 48 -3.999 1.744 11.706 1.00 0.00 C ATOM 684 NE ARG A 48 -3.269 2.240 12.870 1.00 0.00 N ATOM 685 CZ ARG A 48 -3.118 3.530 13.147 1.00 0.00 C ATOM 686 NH1 ARG A 48 -3.642 4.449 12.348 1.00 0.00 N ATOM 687 NH2 ARG A 48 -2.440 3.904 14.225 1.00 0.00 N ATOM 0 H ARG A 48 -2.680 -1.251 8.208 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.769 1.546 9.101 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.921 -0.825 10.811 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.588 0.849 11.210 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.417 -0.130 10.745 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.638 -0.286 12.307 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.774 2.371 10.843 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.071 1.825 11.888 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.853 1.559 13.505 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.163 4.166 11.518 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.524 5.439 12.563 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.034 3.200 14.842 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.325 4.895 14.437 1.00 0.00 H new ATOM 701 N ASP A 49 -0.240 1.716 8.814 1.00 0.00 N ATOM 702 CA ASP A 49 1.124 1.872 8.323 1.00 0.00 C ATOM 703 C ASP A 49 2.104 1.075 9.179 1.00 0.00 C ATOM 704 O ASP A 49 1.968 1.012 10.400 1.00 0.00 O ATOM 705 CB ASP A 49 1.520 3.349 8.315 1.00 0.00 C ATOM 706 CG ASP A 49 3.018 3.548 8.436 1.00 0.00 C ATOM 707 OD1 ASP A 49 3.710 3.488 7.399 1.00 0.00 O ATOM 708 OD2 ASP A 49 3.498 3.763 9.569 1.00 0.00 O ATOM 0 H ASP A 49 -0.618 2.541 9.280 1.00 0.00 H new ATOM 0 HA ASP A 49 1.163 1.488 7.304 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.168 3.811 7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.021 3.860 9.138 1.00 0.00 H new ATOM 713 N GLY A 50 3.091 0.467 8.528 1.00 0.00 N ATOM 714 CA GLY A 50 4.078 -0.319 9.245 1.00 0.00 C ATOM 715 C GLY A 50 5.228 -0.755 8.358 1.00 0.00 C ATOM 716 O GLY A 50 5.671 -0.002 7.490 1.00 0.00 O ATOM 0 H GLY A 50 3.225 0.505 7.517 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.468 0.265 10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.597 -1.200 9.670 1.00 0.00 H new ATOM 720 N ASP A 51 5.714 -1.971 8.577 1.00 0.00 N ATOM 721 CA ASP A 51 6.820 -2.506 7.791 1.00 0.00 C ATOM 722 C ASP A 51 6.348 -2.923 6.401 1.00 0.00 C ATOM 723 O ASP A 51 6.922 -2.515 5.392 1.00 0.00 O ATOM 724 CB ASP A 51 7.453 -3.699 8.508 1.00 0.00 C ATOM 725 CG ASP A 51 8.934 -3.834 8.211 1.00 0.00 C ATOM 726 OD1 ASP A 51 9.659 -2.827 8.347 1.00 0.00 O ATOM 727 OD2 ASP A 51 9.367 -4.946 7.843 1.00 0.00 O ATOM 0 H ASP A 51 5.360 -2.606 9.293 1.00 0.00 H new ATOM 0 HA ASP A 51 7.568 -1.721 7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.309 -3.591 9.583 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.940 -4.613 8.208 1.00 0.00 H new ATOM 732 N ARG A 52 5.299 -3.738 6.358 1.00 0.00 N ATOM 733 CA ARG A 52 4.752 -4.213 5.093 1.00 0.00 C ATOM 734 C ARG A 52 3.896 -3.135 4.433 1.00 0.00 C ATOM 735 O ARG A 52 3.968 -2.926 3.222 1.00 0.00 O ATOM 736 CB ARG A 52 3.918 -5.476 5.315 1.00 0.00 C ATOM 737 CG ARG A 52 4.742 -6.683 5.735 1.00 0.00 C ATOM 738 CD ARG A 52 4.052 -7.985 5.361 1.00 0.00 C ATOM 739 NE ARG A 52 4.571 -9.118 6.124 1.00 0.00 N ATOM 740 CZ ARG A 52 4.366 -10.386 5.786 1.00 0.00 C ATOM 741 NH1 ARG A 52 3.658 -10.682 4.705 1.00 0.00 N ATOM 742 NH2 ARG A 52 4.871 -11.362 6.531 1.00 0.00 N ATOM 0 H ARG A 52 4.811 -4.083 7.185 1.00 0.00 H new ATOM 0 HA ARG A 52 5.585 -4.448 4.431 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.167 -5.276 6.079 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.382 -5.714 4.396 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.722 -6.639 5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.909 -6.654 6.812 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.980 -7.891 5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.186 -8.173 4.296 1.00 0.00 H new ATOM 0 HE ARG A 52 5.120 -8.925 6.961 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.269 -9.935 4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.503 -11.657 4.448 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.417 -11.138 7.363 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.713 -12.336 6.271 1.00 0.00 H new ATOM 756 N TYR A 53 3.086 -2.455 5.238 1.00 0.00 N ATOM 757 CA TYR A 53 2.214 -1.402 4.732 1.00 0.00 C ATOM 758 C TYR A 53 2.877 -0.034 4.868 1.00 0.00 C ATOM 759 O TYR A 53 3.769 0.157 5.694 1.00 0.00 O ATOM 760 CB TYR A 53 0.881 -1.411 5.481 1.00 0.00 C ATOM 761 CG TYR A 53 0.059 -2.657 5.239 1.00 0.00 C ATOM 762 CD1 TYR A 53 0.236 -3.793 6.019 1.00 0.00 C ATOM 763 CD2 TYR A 53 -0.895 -2.698 4.229 1.00 0.00 C ATOM 764 CE1 TYR A 53 -0.513 -4.933 5.800 1.00 0.00 C ATOM 765 CE2 TYR A 53 -1.649 -3.833 4.004 1.00 0.00 C ATOM 766 CZ TYR A 53 -1.454 -4.948 4.792 1.00 0.00 C ATOM 767 OH TYR A 53 -2.202 -6.082 4.572 1.00 0.00 O ATOM 0 H TYR A 53 3.016 -2.615 6.243 1.00 0.00 H new ATOM 0 HA TYR A 53 2.030 -1.594 3.675 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.074 -1.315 6.550 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.300 -0.539 5.182 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.971 -3.785 6.810 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.049 -1.827 3.609 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.362 -5.808 6.415 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.387 -3.847 3.216 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.820 -5.927 3.827 1.00 0.00 H new ATOM 777 N SER A 54 2.433 0.914 4.049 1.00 0.00 N ATOM 778 CA SER A 54 2.984 2.264 4.074 1.00 0.00 C ATOM 779 C SER A 54 1.929 3.289 3.670 1.00 0.00 C ATOM 780 O SER A 54 1.589 3.417 2.493 1.00 0.00 O ATOM 781 CB SER A 54 4.191 2.363 3.140 1.00 0.00 C ATOM 782 OG SER A 54 4.944 1.162 3.151 1.00 0.00 O ATOM 0 H SER A 54 1.694 0.772 3.360 1.00 0.00 H new ATOM 0 HA SER A 54 3.304 2.480 5.093 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.853 2.575 2.126 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.824 3.196 3.446 1.00 0.00 H new ATOM 0 HG SER A 54 5.709 1.250 2.545 1.00 0.00 H new ATOM 788 N LEU A 55 1.414 4.018 4.655 1.00 0.00 N ATOM 789 CA LEU A 55 0.397 5.033 4.404 1.00 0.00 C ATOM 790 C LEU A 55 1.007 6.431 4.419 1.00 0.00 C ATOM 791 O LEU A 55 1.209 7.020 5.481 1.00 0.00 O ATOM 792 CB LEU A 55 -0.715 4.938 5.450 1.00 0.00 C ATOM 793 CG LEU A 55 -1.654 3.738 5.324 1.00 0.00 C ATOM 794 CD1 LEU A 55 -0.938 2.457 5.722 1.00 0.00 C ATOM 795 CD2 LEU A 55 -2.898 3.942 6.177 1.00 0.00 C ATOM 0 H LEU A 55 1.684 3.925 5.634 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.026 4.852 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.256 4.912 6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.312 5.848 5.400 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.962 3.650 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.621 1.613 5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.078 2.303 5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.600 2.535 6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.555 3.078 6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.608 4.056 7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.423 4.838 5.846 1.00 0.00 H new ATOM 807 N ARG A 56 1.297 6.958 3.233 1.00 0.00 N ATOM 808 CA ARG A 56 1.883 8.287 3.110 1.00 0.00 C ATOM 809 C ARG A 56 0.813 9.324 2.781 1.00 0.00 C ATOM 810 O ARG A 56 -0.356 8.987 2.597 1.00 0.00 O ATOM 811 CB ARG A 56 2.964 8.293 2.028 1.00 0.00 C ATOM 812 CG ARG A 56 4.269 7.650 2.468 1.00 0.00 C ATOM 813 CD ARG A 56 5.222 7.467 1.298 1.00 0.00 C ATOM 814 NE ARG A 56 6.461 6.806 1.699 1.00 0.00 N ATOM 815 CZ ARG A 56 7.433 6.489 0.850 1.00 0.00 C ATOM 816 NH1 ARG A 56 7.310 6.772 -0.439 1.00 0.00 N ATOM 817 NH2 ARG A 56 8.531 5.888 1.291 1.00 0.00 N ATOM 0 H ARG A 56 1.135 6.484 2.344 1.00 0.00 H new ATOM 0 HA ARG A 56 2.335 8.547 4.067 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.589 7.769 1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.159 9.322 1.727 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.742 8.269 3.230 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.063 6.682 2.926 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.733 6.880 0.521 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.454 8.440 0.864 1.00 0.00 H new ATOM 0 HE ARG A 56 6.587 6.575 2.684 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.468 7.234 -0.782 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.058 6.528 -1.088 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.629 5.669 2.282 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.276 5.645 0.639 1.00 0.00 H new ATOM 831 N GLN A 57 1.222 10.587 2.710 1.00 0.00 N ATOM 832 CA GLN A 57 0.299 11.673 2.405 1.00 0.00 C ATOM 833 C GLN A 57 1.051 12.979 2.174 1.00 0.00 C ATOM 834 O GLN A 57 2.017 13.282 2.875 1.00 0.00 O ATOM 835 CB GLN A 57 -0.711 11.846 3.540 1.00 0.00 C ATOM 836 CG GLN A 57 -1.752 12.920 3.270 1.00 0.00 C ATOM 837 CD GLN A 57 -2.527 13.309 4.514 1.00 0.00 C ATOM 838 OE1 GLN A 57 -3.797 12.924 4.565 1.00 0.00 O flip ATOM 839 NE2 GLN A 57 -1.990 13.948 5.419 1.00 0.00 N flip ATOM 0 H GLN A 57 2.187 10.883 2.860 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.234 11.416 1.490 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.217 10.896 3.712 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.176 12.093 4.457 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.260 13.803 2.862 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.447 12.563 2.510 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.011 14.223 5.338 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.524 14.202 6.250 1.00 0.00 H new ATOM 848 N ASP A 58 0.603 13.748 1.188 1.00 0.00 N ATOM 849 CA ASP A 58 1.234 15.023 0.865 1.00 0.00 C ATOM 850 C ASP A 58 0.191 16.130 0.745 1.00 0.00 C ATOM 851 O ASP A 58 -0.171 16.538 -0.357 1.00 0.00 O ATOM 852 CB ASP A 58 2.027 14.908 -0.438 1.00 0.00 C ATOM 853 CG ASP A 58 3.222 15.840 -0.472 1.00 0.00 C ATOM 854 OD1 ASP A 58 3.149 16.921 0.148 1.00 0.00 O ATOM 855 OD2 ASP A 58 4.231 15.488 -1.119 1.00 0.00 O ATOM 0 H ASP A 58 -0.195 13.511 0.598 1.00 0.00 H new ATOM 0 HA ASP A 58 1.917 15.278 1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.368 13.880 -0.563 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.372 15.131 -1.280 1.00 0.00 H new ATOM 860 N GLY A 59 -0.288 16.611 1.888 1.00 0.00 N ATOM 861 CA GLY A 59 -1.285 17.665 1.889 1.00 0.00 C ATOM 862 C GLY A 59 -2.696 17.129 1.754 1.00 0.00 C ATOM 863 O GLY A 59 -3.346 16.809 2.750 1.00 0.00 O ATOM 0 H GLY A 59 -0.003 16.289 2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.204 18.237 2.814 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.082 18.354 1.069 1.00 0.00 H new ATOM 867 N THR A 60 -3.175 17.032 0.517 1.00 0.00 N ATOM 868 CA THR A 60 -4.519 16.533 0.255 1.00 0.00 C ATOM 869 C THR A 60 -4.478 15.142 -0.367 1.00 0.00 C ATOM 870 O THR A 60 -5.433 14.373 -0.256 1.00 0.00 O ATOM 871 CB THR A 60 -5.296 17.479 -0.681 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.514 17.768 -1.844 1.00 0.00 O ATOM 873 CG2 THR A 60 -5.652 18.774 0.033 1.00 0.00 C ATOM 0 H THR A 60 -2.652 17.293 -0.319 1.00 0.00 H new ATOM 0 HA THR A 60 -5.031 16.483 1.216 1.00 0.00 H new ATOM 0 HB THR A 60 -6.219 16.982 -0.979 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.015 18.368 -2.434 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.200 19.426 -0.647 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.272 18.552 0.901 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.739 19.273 0.357 1.00 0.00 H new ATOM 881 N LYS A 61 -3.366 14.824 -1.021 1.00 0.00 N ATOM 882 CA LYS A 61 -3.199 13.524 -1.660 1.00 0.00 C ATOM 883 C LYS A 61 -2.726 12.480 -0.653 1.00 0.00 C ATOM 884 O LYS A 61 -2.113 12.815 0.362 1.00 0.00 O ATOM 885 CB LYS A 61 -2.199 13.624 -2.814 1.00 0.00 C ATOM 886 CG LYS A 61 -2.800 14.180 -4.093 1.00 0.00 C ATOM 887 CD LYS A 61 -1.919 13.887 -5.296 1.00 0.00 C ATOM 888 CE LYS A 61 -2.671 14.096 -6.601 1.00 0.00 C ATOM 889 NZ LYS A 61 -3.391 12.865 -7.030 1.00 0.00 N ATOM 0 H LYS A 61 -2.566 15.449 -1.122 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.167 13.213 -2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.366 14.258 -2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.789 12.634 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.788 13.747 -4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.936 15.257 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.042 14.534 -5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.559 12.860 -5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.385 14.911 -6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.970 14.397 -7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.293 13.128 -7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.807 12.341 -7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.577 12.265 -6.201 1.00 0.00 H new ATOM 903 N CYS A 62 -3.014 11.215 -0.940 1.00 0.00 N ATOM 904 CA CYS A 62 -2.617 10.122 -0.059 1.00 0.00 C ATOM 905 C CYS A 62 -1.894 9.030 -0.840 1.00 0.00 C ATOM 906 O CYS A 62 -1.784 9.098 -2.064 1.00 0.00 O ATOM 907 CB CYS A 62 -3.842 9.537 0.645 1.00 0.00 C ATOM 908 SG CYS A 62 -4.853 10.762 1.509 1.00 0.00 S ATOM 0 H CYS A 62 -3.521 10.921 -1.775 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.933 10.521 0.690 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.461 9.025 -0.092 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.511 8.785 1.361 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.993 10.893 0.898 1.00 0.00 H new ATOM 914 N GLU A 63 -1.401 8.024 -0.124 1.00 0.00 N ATOM 915 CA GLU A 63 -0.686 6.919 -0.750 1.00 0.00 C ATOM 916 C GLU A 63 -0.616 5.716 0.186 1.00 0.00 C ATOM 917 O GLU A 63 -0.365 5.860 1.383 1.00 0.00 O ATOM 918 CB GLU A 63 0.727 7.355 -1.145 1.00 0.00 C ATOM 919 CG GLU A 63 1.587 6.221 -1.678 1.00 0.00 C ATOM 920 CD GLU A 63 2.907 6.707 -2.245 1.00 0.00 C ATOM 921 OE1 GLU A 63 3.432 7.721 -1.740 1.00 0.00 O ATOM 922 OE2 GLU A 63 3.414 6.072 -3.193 1.00 0.00 O ATOM 0 H GLU A 63 -1.484 7.952 0.890 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.233 6.628 -1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.659 8.135 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.218 7.795 -0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.781 5.509 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.038 5.687 -2.453 1.00 0.00 H new ATOM 929 N LEU A 64 -0.841 4.529 -0.368 1.00 0.00 N ATOM 930 CA LEU A 64 -0.804 3.300 0.416 1.00 0.00 C ATOM 931 C LEU A 64 -0.079 2.192 -0.342 1.00 0.00 C ATOM 932 O LEU A 64 -0.499 1.793 -1.428 1.00 0.00 O ATOM 933 CB LEU A 64 -2.225 2.851 0.763 1.00 0.00 C ATOM 934 CG LEU A 64 -2.342 1.544 1.549 1.00 0.00 C ATOM 935 CD1 LEU A 64 -2.461 0.360 0.602 1.00 0.00 C ATOM 936 CD2 LEU A 64 -1.148 1.371 2.477 1.00 0.00 C ATOM 0 H LEU A 64 -1.051 4.392 -1.357 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.258 3.502 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.704 3.642 1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.788 2.746 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.245 1.588 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.543 -0.561 1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.348 0.479 -0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.577 0.312 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.248 0.436 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.230 1.349 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.109 2.204 3.179 1.00 0.00 H new ATOM 948 N GLN A 65 1.009 1.699 0.240 1.00 0.00 N ATOM 949 CA GLN A 65 1.791 0.636 -0.381 1.00 0.00 C ATOM 950 C GLN A 65 1.658 -0.666 0.402 1.00 0.00 C ATOM 951 O GLN A 65 1.667 -0.665 1.634 1.00 0.00 O ATOM 952 CB GLN A 65 3.263 1.042 -0.470 1.00 0.00 C ATOM 953 CG GLN A 65 3.619 1.758 -1.763 1.00 0.00 C ATOM 954 CD GLN A 65 5.095 2.087 -1.861 1.00 0.00 C ATOM 955 OE1 GLN A 65 5.948 1.202 -1.779 1.00 0.00 O ATOM 956 NE2 GLN A 65 5.407 3.367 -2.036 1.00 0.00 N ATOM 0 H GLN A 65 1.369 2.018 1.140 1.00 0.00 H new ATOM 0 HA GLN A 65 1.404 0.475 -1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.504 1.690 0.373 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.884 0.151 -0.375 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.333 1.134 -2.610 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.040 2.679 -1.835 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.669 4.068 -2.099 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.385 3.648 -2.108 1.00 0.00 H new ATOM 965 N ILE A 66 1.533 -1.775 -0.319 1.00 0.00 N ATOM 966 CA ILE A 66 1.398 -3.083 0.308 1.00 0.00 C ATOM 967 C ILE A 66 2.548 -4.004 -0.087 1.00 0.00 C ATOM 968 O ILE A 66 2.512 -4.642 -1.139 1.00 0.00 O ATOM 969 CB ILE A 66 0.065 -3.755 -0.070 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.110 -2.837 0.275 1.00 0.00 C ATOM 971 CG2 ILE A 66 -0.075 -5.093 0.640 1.00 0.00 C ATOM 972 CD1 ILE A 66 -2.313 -3.032 -0.621 1.00 0.00 C ATOM 0 H ILE A 66 1.522 -1.793 -1.339 1.00 0.00 H new ATOM 0 HA ILE A 66 1.420 -2.919 1.385 1.00 0.00 H new ATOM 0 HB ILE A 66 0.058 -3.935 -1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.406 -3.012 1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.782 -1.800 0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.022 -5.555 0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.747 -5.747 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.050 -4.937 1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.107 -2.349 -0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.034 -2.829 -1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.667 -4.059 -0.536 1.00 0.00 H new ATOM 984 N ARG A 67 3.566 -4.068 0.765 1.00 0.00 N ATOM 985 CA ARG A 67 4.727 -4.911 0.505 1.00 0.00 C ATOM 986 C ARG A 67 4.425 -6.370 0.836 1.00 0.00 C ATOM 987 O ARG A 67 3.984 -6.688 1.940 1.00 0.00 O ATOM 988 CB ARG A 67 5.927 -4.429 1.323 1.00 0.00 C ATOM 989 CG ARG A 67 6.374 -3.019 0.975 1.00 0.00 C ATOM 990 CD ARG A 67 7.065 -2.348 2.152 1.00 0.00 C ATOM 991 NE ARG A 67 8.311 -3.019 2.511 1.00 0.00 N ATOM 992 CZ ARG A 67 9.422 -2.944 1.786 1.00 0.00 C ATOM 993 NH1 ARG A 67 9.441 -2.230 0.669 1.00 0.00 N ATOM 994 NH2 ARG A 67 10.516 -3.583 2.179 1.00 0.00 N ATOM 0 H ARG A 67 3.610 -3.547 1.641 1.00 0.00 H new ATOM 0 HA ARG A 67 4.966 -4.839 -0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.674 -4.470 2.382 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.761 -5.114 1.168 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.053 -3.051 0.123 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.511 -2.427 0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.272 -1.307 1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.395 -2.344 3.012 1.00 0.00 H new ATOM 0 HE ARG A 67 8.330 -3.576 3.365 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.602 -1.737 0.365 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.295 -2.174 0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.505 -4.132 3.038 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.368 -3.525 1.622 1.00 0.00 H new ATOM 1008 N GLY A 68 4.665 -7.252 -0.129 1.00 0.00 N ATOM 1009 CA GLY A 68 4.412 -8.666 0.079 1.00 0.00 C ATOM 1010 C GLY A 68 3.107 -9.120 -0.543 1.00 0.00 C ATOM 1011 O GLY A 68 2.303 -9.794 0.102 1.00 0.00 O ATOM 0 H GLY A 68 5.030 -7.013 -1.051 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.233 -9.245 -0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.393 -8.875 1.149 1.00 0.00 H new ATOM 1015 N LEU A 69 2.893 -8.748 -1.801 1.00 0.00 N ATOM 1016 CA LEU A 69 1.674 -9.120 -2.511 1.00 0.00 C ATOM 1017 C LEU A 69 1.595 -10.631 -2.704 1.00 0.00 C ATOM 1018 O LEU A 69 2.617 -11.302 -2.847 1.00 0.00 O ATOM 1019 CB LEU A 69 1.618 -8.418 -3.869 1.00 0.00 C ATOM 1020 CG LEU A 69 1.207 -6.945 -3.847 1.00 0.00 C ATOM 1021 CD1 LEU A 69 1.378 -6.322 -5.223 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -0.230 -6.799 -3.367 1.00 0.00 C ATOM 0 H LEU A 69 3.547 -8.190 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 69 0.822 -8.804 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.600 -8.493 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.920 -8.960 -4.507 1.00 0.00 H new ATOM 0 HG LEU A 69 1.857 -6.417 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.081 -5.274 -5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.422 -6.393 -5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.754 -6.852 -5.942 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.505 -5.744 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.895 -7.342 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.320 -7.206 -2.360 1.00 0.00 H new ATOM 1034 N ALA A 70 0.376 -11.159 -2.709 1.00 0.00 N ATOM 1035 CA ALA A 70 0.163 -12.589 -2.888 1.00 0.00 C ATOM 1036 C ALA A 70 -1.282 -12.886 -3.275 1.00 0.00 C ATOM 1037 O ALA A 70 -2.170 -12.057 -3.076 1.00 0.00 O ATOM 1038 CB ALA A 70 0.537 -13.342 -1.620 1.00 0.00 C ATOM 0 H ALA A 70 -0.480 -10.617 -2.591 1.00 0.00 H new ATOM 0 HA ALA A 70 0.806 -12.927 -3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.373 -14.409 -1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.587 -13.165 -1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.081 -12.992 -0.793 1.00 0.00 H new ATOM 1044 N MET A 71 -1.510 -14.072 -3.828 1.00 0.00 N ATOM 1045 CA MET A 71 -2.849 -14.477 -4.242 1.00 0.00 C ATOM 1046 C MET A 71 -3.886 -14.073 -3.199 1.00 0.00 C ATOM 1047 O MET A 71 -4.985 -13.638 -3.539 1.00 0.00 O ATOM 1048 CB MET A 71 -2.900 -15.989 -4.470 1.00 0.00 C ATOM 1049 CG MET A 71 -2.165 -16.440 -5.722 1.00 0.00 C ATOM 1050 SD MET A 71 -3.227 -16.466 -7.179 1.00 0.00 S ATOM 1051 CE MET A 71 -2.819 -14.889 -7.924 1.00 0.00 C ATOM 0 H MET A 71 -0.786 -14.770 -4.000 1.00 0.00 H new ATOM 0 HA MET A 71 -3.083 -13.968 -5.177 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.470 -16.493 -3.605 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.942 -16.303 -4.537 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.322 -15.774 -5.904 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.754 -17.436 -5.559 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.002 -14.936 -8.998 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.439 -14.108 -7.484 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.768 -14.663 -7.744 1.00 0.00 H new ATOM 1061 N ALA A 72 -3.528 -14.220 -1.927 1.00 0.00 N ATOM 1062 CA ALA A 72 -4.427 -13.869 -0.835 1.00 0.00 C ATOM 1063 C ALA A 72 -4.702 -12.369 -0.811 1.00 0.00 C ATOM 1064 O ALA A 72 -5.848 -11.941 -0.672 1.00 0.00 O ATOM 1065 CB ALA A 72 -3.843 -14.321 0.495 1.00 0.00 C ATOM 0 H ALA A 72 -2.622 -14.580 -1.628 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.374 -14.383 -0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.525 -14.052 1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.703 -15.402 0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.882 -13.833 0.655 1.00 0.00 H new ATOM 1071 N ASP A 73 -3.645 -11.576 -0.947 1.00 0.00 N ATOM 1072 CA ASP A 73 -3.773 -10.124 -0.942 1.00 0.00 C ATOM 1073 C ASP A 73 -4.818 -9.666 -1.955 1.00 0.00 C ATOM 1074 O ASP A 73 -5.524 -8.681 -1.735 1.00 0.00 O ATOM 1075 CB ASP A 73 -2.425 -9.470 -1.251 1.00 0.00 C ATOM 1076 CG ASP A 73 -1.359 -9.837 -0.238 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -1.216 -11.041 0.063 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -0.667 -8.921 0.254 1.00 0.00 O ATOM 0 H ASP A 73 -2.690 -11.915 -1.062 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.098 -9.817 0.052 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.097 -9.773 -2.245 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.546 -8.387 -1.271 1.00 0.00 H new ATOM 1083 N THR A 74 -4.912 -10.388 -3.067 1.00 0.00 N ATOM 1084 CA THR A 74 -5.869 -10.056 -4.115 1.00 0.00 C ATOM 1085 C THR A 74 -7.261 -9.829 -3.537 1.00 0.00 C ATOM 1086 O THR A 74 -7.948 -10.777 -3.157 1.00 0.00 O ATOM 1087 CB THR A 74 -5.942 -11.166 -5.181 1.00 0.00 C ATOM 1088 OG1 THR A 74 -4.638 -11.420 -5.714 1.00 0.00 O ATOM 1089 CG2 THR A 74 -6.888 -10.773 -6.307 1.00 0.00 C ATOM 0 H THR A 74 -4.337 -11.207 -3.265 1.00 0.00 H new ATOM 0 HA THR A 74 -5.519 -9.136 -4.583 1.00 0.00 H new ATOM 0 HB THR A 74 -6.322 -12.071 -4.707 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.693 -12.128 -6.390 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.924 -11.572 -7.048 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.887 -10.609 -5.902 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.532 -9.857 -6.778 1.00 0.00 H new ATOM 1097 N GLY A 75 -7.672 -8.566 -3.475 1.00 0.00 N ATOM 1098 CA GLY A 75 -8.982 -8.238 -2.942 1.00 0.00 C ATOM 1099 C GLY A 75 -9.429 -6.841 -3.322 1.00 0.00 C ATOM 1100 O GLY A 75 -9.114 -6.356 -4.409 1.00 0.00 O ATOM 0 H GLY A 75 -7.122 -7.765 -3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.711 -8.961 -3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.962 -8.327 -1.856 1.00 0.00 H new ATOM 1104 N GLU A 76 -10.166 -6.192 -2.426 1.00 0.00 N ATOM 1105 CA GLU A 76 -10.659 -4.843 -2.676 1.00 0.00 C ATOM 1106 C GLU A 76 -10.277 -3.905 -1.535 1.00 0.00 C ATOM 1107 O GLU A 76 -10.489 -4.216 -0.362 1.00 0.00 O ATOM 1108 CB GLU A 76 -12.179 -4.856 -2.852 1.00 0.00 C ATOM 1109 CG GLU A 76 -12.801 -3.470 -2.875 1.00 0.00 C ATOM 1110 CD GLU A 76 -14.316 -3.509 -2.826 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -14.874 -3.527 -1.709 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -14.943 -3.522 -3.906 1.00 0.00 O ATOM 0 H GLU A 76 -10.435 -6.579 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.197 -4.479 -3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.424 -5.371 -3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.625 -5.432 -2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.429 -2.895 -2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.484 -2.949 -3.778 1.00 0.00 H new ATOM 1119 N TYR A 77 -9.712 -2.755 -1.886 1.00 0.00 N ATOM 1120 CA TYR A 77 -9.297 -1.772 -0.893 1.00 0.00 C ATOM 1121 C TYR A 77 -10.130 -0.499 -1.005 1.00 0.00 C ATOM 1122 O TYR A 77 -10.452 -0.049 -2.105 1.00 0.00 O ATOM 1123 CB TYR A 77 -7.814 -1.440 -1.062 1.00 0.00 C ATOM 1124 CG TYR A 77 -6.900 -2.625 -0.843 1.00 0.00 C ATOM 1125 CD1 TYR A 77 -6.854 -3.669 -1.759 1.00 0.00 C ATOM 1126 CD2 TYR A 77 -6.083 -2.700 0.278 1.00 0.00 C ATOM 1127 CE1 TYR A 77 -6.021 -4.754 -1.563 1.00 0.00 C ATOM 1128 CE2 TYR A 77 -5.246 -3.780 0.481 1.00 0.00 C ATOM 1129 CZ TYR A 77 -5.219 -4.805 -0.442 1.00 0.00 C ATOM 1130 OH TYR A 77 -4.387 -5.883 -0.243 1.00 0.00 O ATOM 0 H TYR A 77 -9.531 -2.481 -2.852 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.456 -2.203 0.095 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.650 -1.046 -2.065 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.545 -0.650 -0.361 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.480 -3.632 -2.639 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.103 -1.900 1.003 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.998 -5.558 -2.284 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.616 -3.822 1.357 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.890 -5.763 0.593 1.00 0.00 H new ATOM 1140 N SER A 78 -10.476 0.078 0.142 1.00 0.00 N ATOM 1141 CA SER A 78 -11.274 1.297 0.174 1.00 0.00 C ATOM 1142 C SER A 78 -10.654 2.328 1.113 1.00 0.00 C ATOM 1143 O SER A 78 -10.540 2.098 2.317 1.00 0.00 O ATOM 1144 CB SER A 78 -12.705 0.984 0.617 1.00 0.00 C ATOM 1145 OG SER A 78 -13.226 -0.127 -0.092 1.00 0.00 O ATOM 0 H SER A 78 -10.216 -0.280 1.061 1.00 0.00 H new ATOM 0 HA SER A 78 -11.295 1.714 -0.833 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.721 0.777 1.687 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.339 1.855 0.452 1.00 0.00 H new ATOM 0 HG SER A 78 -14.141 -0.308 0.210 1.00 0.00 H new ATOM 1151 N CYS A 79 -10.255 3.464 0.552 1.00 0.00 N ATOM 1152 CA CYS A 79 -9.645 4.531 1.338 1.00 0.00 C ATOM 1153 C CYS A 79 -10.710 5.452 1.924 1.00 0.00 C ATOM 1154 O CYS A 79 -11.296 6.271 1.215 1.00 0.00 O ATOM 1155 CB CYS A 79 -8.675 5.338 0.474 1.00 0.00 C ATOM 1156 SG CYS A 79 -7.424 6.242 1.416 1.00 0.00 S ATOM 0 H CYS A 79 -10.343 3.670 -0.443 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.094 4.074 2.160 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.174 4.662 -0.219 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.244 6.047 -0.127 1.00 0.00 H new ATOM 0 HG CYS A 79 -6.323 5.552 1.448 1.00 0.00 H new ATOM 1162 N VAL A 80 -10.957 5.312 3.222 1.00 0.00 N ATOM 1163 CA VAL A 80 -11.952 6.131 3.904 1.00 0.00 C ATOM 1164 C VAL A 80 -11.306 7.341 4.569 1.00 0.00 C ATOM 1165 O VAL A 80 -10.325 7.209 5.301 1.00 0.00 O ATOM 1166 CB VAL A 80 -12.713 5.319 4.969 1.00 0.00 C ATOM 1167 CG1 VAL A 80 -14.030 5.996 5.317 1.00 0.00 C ATOM 1168 CG2 VAL A 80 -12.948 3.895 4.486 1.00 0.00 C ATOM 0 H VAL A 80 -10.482 4.639 3.823 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.656 6.471 3.145 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.104 5.277 5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.553 5.408 6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.834 6.994 5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.648 6.071 4.422 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.487 3.336 5.251 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.536 3.914 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.989 3.414 4.292 1.00 0.00 H new ATOM 1178 N CYS A 81 -11.863 8.519 4.311 1.00 0.00 N ATOM 1179 CA CYS A 81 -11.341 9.754 4.884 1.00 0.00 C ATOM 1180 C CYS A 81 -12.198 10.212 6.060 1.00 0.00 C ATOM 1181 O CYS A 81 -11.732 10.942 6.934 1.00 0.00 O ATOM 1182 CB CYS A 81 -11.284 10.851 3.820 1.00 0.00 C ATOM 1183 SG CYS A 81 -12.863 11.163 2.997 1.00 0.00 S ATOM 0 H CYS A 81 -12.676 8.645 3.708 1.00 0.00 H new ATOM 0 HA CYS A 81 -10.332 9.559 5.247 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -10.940 11.775 4.284 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -10.543 10.576 3.069 1.00 0.00 H new ATOM 0 HG CYS A 81 -12.924 10.471 1.898 1.00 0.00 H new ATOM 1189 N GLY A 82 -13.456 9.780 6.072 1.00 0.00 N ATOM 1190 CA GLY A 82 -14.359 10.158 7.144 1.00 0.00 C ATOM 1191 C GLY A 82 -15.816 9.987 6.761 1.00 0.00 C ATOM 1192 O GLY A 82 -16.519 9.153 7.331 1.00 0.00 O ATOM 0 H GLY A 82 -13.865 9.176 5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.145 9.554 8.026 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.178 11.197 7.418 1.00 0.00 H new ATOM 1196 N GLN A 83 -16.270 10.779 5.796 1.00 0.00 N ATOM 1197 CA GLN A 83 -17.653 10.712 5.340 1.00 0.00 C ATOM 1198 C GLN A 83 -17.770 9.865 4.078 1.00 0.00 C ATOM 1199 O GLN A 83 -18.715 9.091 3.924 1.00 0.00 O ATOM 1200 CB GLN A 83 -18.194 12.118 5.077 1.00 0.00 C ATOM 1201 CG GLN A 83 -18.413 12.933 6.341 1.00 0.00 C ATOM 1202 CD GLN A 83 -19.017 14.295 6.061 1.00 0.00 C ATOM 1203 OE1 GLN A 83 -18.916 14.814 4.949 1.00 0.00 O ATOM 1204 NE2 GLN A 83 -19.649 14.882 7.071 1.00 0.00 N ATOM 0 H GLN A 83 -15.700 11.475 5.315 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.246 10.243 6.126 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.499 12.650 4.428 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.138 12.040 4.537 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -19.068 12.381 7.015 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -17.461 13.061 6.855 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -19.708 14.415 7.976 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -20.075 15.800 6.942 1.00 0.00 H new ATOM 1213 N GLU A 84 -16.805 10.017 3.177 1.00 0.00 N ATOM 1214 CA GLU A 84 -16.802 9.266 1.927 1.00 0.00 C ATOM 1215 C GLU A 84 -15.505 8.478 1.769 1.00 0.00 C ATOM 1216 O GLU A 84 -14.569 8.637 2.554 1.00 0.00 O ATOM 1217 CB GLU A 84 -16.985 10.211 0.737 1.00 0.00 C ATOM 1218 CG GLU A 84 -16.111 11.452 0.807 1.00 0.00 C ATOM 1219 CD GLU A 84 -16.536 12.404 1.908 1.00 0.00 C ATOM 1220 OE1 GLU A 84 -17.594 13.051 1.760 1.00 0.00 O ATOM 1221 OE2 GLU A 84 -15.810 12.500 2.920 1.00 0.00 O ATOM 0 H GLU A 84 -16.015 10.653 3.289 1.00 0.00 H new ATOM 0 HA GLU A 84 -17.634 8.562 1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.762 9.671 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -18.030 10.515 0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.075 11.154 0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -16.146 11.971 -0.151 1.00 0.00 H new ATOM 1228 N ARG A 85 -15.457 7.626 0.750 1.00 0.00 N ATOM 1229 CA ARG A 85 -14.276 6.812 0.490 1.00 0.00 C ATOM 1230 C ARG A 85 -14.272 6.304 -0.949 1.00 0.00 C ATOM 1231 O ARG A 85 -15.270 6.415 -1.662 1.00 0.00 O ATOM 1232 CB ARG A 85 -14.222 5.629 1.459 1.00 0.00 C ATOM 1233 CG ARG A 85 -15.156 4.490 1.082 1.00 0.00 C ATOM 1234 CD ARG A 85 -16.494 4.607 1.796 1.00 0.00 C ATOM 1235 NE ARG A 85 -17.546 3.859 1.113 1.00 0.00 N ATOM 1236 CZ ARG A 85 -18.275 4.355 0.120 1.00 0.00 C ATOM 1237 NH1 ARG A 85 -18.067 5.594 -0.304 1.00 0.00 N ATOM 1238 NH2 ARG A 85 -19.214 3.612 -0.451 1.00 0.00 N ATOM 0 H ARG A 85 -16.222 7.482 0.091 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.395 7.437 0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.200 5.251 1.501 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.474 5.978 2.460 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.316 4.491 0.004 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.690 3.537 1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.393 4.240 2.817 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -16.780 5.657 1.861 1.00 0.00 H new ATOM 0 HE ARG A 85 -17.731 2.903 1.415 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -17.346 6.168 0.133 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -18.628 5.973 -1.067 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -19.377 2.658 -0.127 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -19.773 3.994 -1.214 1.00 0.00 H new ATOM 1252 N THR A 86 -13.141 5.748 -1.372 1.00 0.00 N ATOM 1253 CA THR A 86 -13.005 5.225 -2.726 1.00 0.00 C ATOM 1254 C THR A 86 -12.764 3.720 -2.713 1.00 0.00 C ATOM 1255 O THR A 86 -12.788 3.087 -1.657 1.00 0.00 O ATOM 1256 CB THR A 86 -11.851 5.912 -3.480 1.00 0.00 C ATOM 1257 OG1 THR A 86 -11.813 5.456 -4.837 1.00 0.00 O ATOM 1258 CG2 THR A 86 -10.518 5.627 -2.806 1.00 0.00 C ATOM 0 H THR A 86 -12.305 5.648 -0.796 1.00 0.00 H new ATOM 0 HA THR A 86 -13.942 5.435 -3.241 1.00 0.00 H new ATOM 0 HB THR A 86 -12.025 6.988 -3.463 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.188 6.009 -5.351 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.719 6.123 -3.357 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.540 6.002 -1.783 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.338 4.552 -2.795 1.00 0.00 H new ATOM 1266 N SER A 87 -12.530 3.153 -3.892 1.00 0.00 N ATOM 1267 CA SER A 87 -12.288 1.720 -4.016 1.00 0.00 C ATOM 1268 C SER A 87 -11.567 1.402 -5.323 1.00 0.00 C ATOM 1269 O SER A 87 -11.755 2.085 -6.329 1.00 0.00 O ATOM 1270 CB SER A 87 -13.608 0.950 -3.947 1.00 0.00 C ATOM 1271 OG SER A 87 -14.634 1.633 -4.646 1.00 0.00 O ATOM 0 H SER A 87 -12.503 3.663 -4.775 1.00 0.00 H new ATOM 0 HA SER A 87 -11.652 1.411 -3.186 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.475 -0.045 -4.371 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.900 0.816 -2.906 1.00 0.00 H new ATOM 0 HG SER A 87 -15.467 1.120 -4.588 1.00 0.00 H new ATOM 1277 N ALA A 88 -10.742 0.361 -5.298 1.00 0.00 N ATOM 1278 CA ALA A 88 -9.995 -0.049 -6.480 1.00 0.00 C ATOM 1279 C ALA A 88 -9.548 -1.503 -6.370 1.00 0.00 C ATOM 1280 O ALA A 88 -8.685 -1.837 -5.560 1.00 0.00 O ATOM 1281 CB ALA A 88 -8.792 0.860 -6.686 1.00 0.00 C ATOM 0 H ALA A 88 -10.574 -0.214 -4.472 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.654 0.037 -7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.243 0.542 -7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.131 1.888 -6.818 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.139 0.802 -5.815 1.00 0.00 H new ATOM 1287 N MET A 89 -10.143 -2.364 -7.190 1.00 0.00 N ATOM 1288 CA MET A 89 -9.805 -3.782 -7.184 1.00 0.00 C ATOM 1289 C MET A 89 -8.316 -3.988 -7.440 1.00 0.00 C ATOM 1290 O MET A 89 -7.741 -3.381 -8.346 1.00 0.00 O ATOM 1291 CB MET A 89 -10.624 -4.528 -8.241 1.00 0.00 C ATOM 1292 CG MET A 89 -12.044 -4.841 -7.799 1.00 0.00 C ATOM 1293 SD MET A 89 -12.101 -5.891 -6.335 1.00 0.00 S ATOM 1294 CE MET A 89 -11.159 -7.307 -6.897 1.00 0.00 C ATOM 0 H MET A 89 -10.861 -2.104 -7.866 1.00 0.00 H new ATOM 0 HA MET A 89 -10.045 -4.182 -6.199 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.659 -3.929 -9.151 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.116 -5.459 -8.492 1.00 0.00 H new ATOM 0 HG2 MET A 89 -12.570 -3.909 -7.593 1.00 0.00 H new ATOM 0 HG3 MET A 89 -12.574 -5.333 -8.615 1.00 0.00 H new ATOM 0 HE1 MET A 89 -11.553 -8.212 -6.435 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.237 -7.389 -7.981 1.00 0.00 H new ATOM 0 HE3 MET A 89 -10.113 -7.182 -6.617 1.00 0.00 H new ATOM 1304 N LEU A 90 -7.695 -4.845 -6.638 1.00 0.00 N ATOM 1305 CA LEU A 90 -6.271 -5.130 -6.777 1.00 0.00 C ATOM 1306 C LEU A 90 -6.044 -6.578 -7.200 1.00 0.00 C ATOM 1307 O LEU A 90 -6.393 -7.511 -6.475 1.00 0.00 O ATOM 1308 CB LEU A 90 -5.543 -4.852 -5.461 1.00 0.00 C ATOM 1309 CG LEU A 90 -4.191 -5.543 -5.282 1.00 0.00 C ATOM 1310 CD1 LEU A 90 -3.241 -5.154 -6.404 1.00 0.00 C ATOM 1311 CD2 LEU A 90 -3.590 -5.197 -3.928 1.00 0.00 C ATOM 0 H LEU A 90 -8.155 -5.355 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.870 -4.477 -7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.393 -3.776 -5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.193 -5.152 -4.639 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.347 -6.621 -5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.284 -5.655 -6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.667 -5.453 -7.362 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.090 -4.074 -6.395 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.628 -5.698 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.448 -4.119 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.263 -5.526 -3.136 1.00 0.00 H new ATOM 1323 N THR A 91 -5.456 -6.760 -8.379 1.00 0.00 N ATOM 1324 CA THR A 91 -5.181 -8.094 -8.898 1.00 0.00 C ATOM 1325 C THR A 91 -3.704 -8.444 -8.760 1.00 0.00 C ATOM 1326 O THR A 91 -2.833 -7.685 -9.186 1.00 0.00 O ATOM 1327 CB THR A 91 -5.590 -8.215 -10.378 1.00 0.00 C ATOM 1328 OG1 THR A 91 -7.011 -8.086 -10.506 1.00 0.00 O ATOM 1329 CG2 THR A 91 -5.144 -9.550 -10.955 1.00 0.00 C ATOM 0 H THR A 91 -5.161 -6.000 -8.992 1.00 0.00 H new ATOM 0 HA THR A 91 -5.773 -8.792 -8.306 1.00 0.00 H new ATOM 0 HB THR A 91 -5.101 -7.415 -10.934 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.263 -8.162 -11.450 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.444 -9.613 -12.001 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.060 -9.634 -10.883 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.609 -10.362 -10.395 1.00 0.00 H new ATOM 1337 N VAL A 92 -3.428 -9.600 -8.163 1.00 0.00 N ATOM 1338 CA VAL A 92 -2.055 -10.052 -7.971 1.00 0.00 C ATOM 1339 C VAL A 92 -1.706 -11.176 -8.940 1.00 0.00 C ATOM 1340 O VAL A 92 -1.895 -12.353 -8.634 1.00 0.00 O ATOM 1341 CB VAL A 92 -1.822 -10.540 -6.529 1.00 0.00 C ATOM 1342 CG1 VAL A 92 -0.391 -11.025 -6.355 1.00 0.00 C ATOM 1343 CG2 VAL A 92 -2.144 -9.436 -5.534 1.00 0.00 C ATOM 0 H VAL A 92 -4.137 -10.240 -7.804 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.409 -9.196 -8.165 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.491 -11.378 -6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.244 -11.366 -5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.200 -11.849 -7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.298 -10.208 -6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.974 -9.799 -4.520 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.502 -8.576 -5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.188 -9.141 -5.643 1.00 0.00 H new ATOM 1353 N ARG A 93 -1.196 -10.805 -10.110 1.00 0.00 N ATOM 1354 CA ARG A 93 -0.821 -11.782 -11.124 1.00 0.00 C ATOM 1355 C ARG A 93 0.257 -12.725 -10.598 1.00 0.00 C ATOM 1356 O ARG A 93 1.400 -12.321 -10.386 1.00 0.00 O ATOM 1357 CB ARG A 93 -0.323 -11.074 -12.386 1.00 0.00 C ATOM 1358 CG ARG A 93 -1.370 -10.187 -13.040 1.00 0.00 C ATOM 1359 CD ARG A 93 -2.509 -11.008 -13.624 1.00 0.00 C ATOM 1360 NE ARG A 93 -3.144 -10.336 -14.754 1.00 0.00 N ATOM 1361 CZ ARG A 93 -4.188 -10.830 -15.411 1.00 0.00 C ATOM 1362 NH1 ARG A 93 -4.711 -11.994 -15.051 1.00 0.00 N ATOM 1363 NH2 ARG A 93 -4.711 -10.159 -16.429 1.00 0.00 N ATOM 0 H ARG A 93 -1.033 -9.835 -10.379 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.705 -12.370 -11.370 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.547 -10.468 -12.133 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.008 -11.823 -13.106 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.765 -9.486 -12.305 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.906 -9.594 -13.828 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.129 -11.978 -13.946 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.253 -11.198 -12.850 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.765 -9.438 -15.056 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.312 -12.512 -14.268 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.512 -12.371 -15.557 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.312 -9.263 -16.708 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.512 -10.539 -16.933 1.00 0.00 H new ATOM 1377 N ALA A 94 -0.116 -13.984 -10.390 1.00 0.00 N ATOM 1378 CA ALA A 94 0.819 -14.985 -9.891 1.00 0.00 C ATOM 1379 C ALA A 94 2.019 -15.128 -10.821 1.00 0.00 C ATOM 1380 O ALA A 94 1.863 -15.330 -12.026 1.00 0.00 O ATOM 1381 CB ALA A 94 0.117 -16.324 -9.722 1.00 0.00 C ATOM 0 H ALA A 94 -1.059 -14.335 -10.559 1.00 0.00 H new ATOM 0 HA ALA A 94 1.184 -14.653 -8.919 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.827 -17.062 -9.349 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.703 -16.218 -9.012 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.276 -16.653 -10.684 1.00 0.00 H new ATOM 1387 N LEU A 95 3.216 -15.020 -10.255 1.00 0.00 N ATOM 1388 CA LEU A 95 4.444 -15.137 -11.035 1.00 0.00 C ATOM 1389 C LEU A 95 4.558 -16.520 -11.667 1.00 0.00 C ATOM 1390 O LEU A 95 4.209 -17.536 -11.065 1.00 0.00 O ATOM 1391 CB LEU A 95 5.661 -14.867 -10.148 1.00 0.00 C ATOM 1392 CG LEU A 95 5.926 -13.402 -9.799 1.00 0.00 C ATOM 1393 CD1 LEU A 95 6.855 -13.299 -8.600 1.00 0.00 C ATOM 1394 CD2 LEU A 95 6.511 -12.666 -10.995 1.00 0.00 C ATOM 0 H LEU A 95 3.363 -14.852 -9.260 1.00 0.00 H new ATOM 0 HA LEU A 95 4.411 -14.395 -11.833 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.539 -15.425 -9.219 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.544 -15.266 -10.646 1.00 0.00 H new ATOM 0 HG LEU A 95 4.977 -12.933 -9.539 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.032 -12.249 -8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.397 -13.790 -7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.803 -13.784 -8.832 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.693 -11.625 -10.728 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.450 -13.135 -11.287 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.809 -12.710 -11.828 1.00 0.00 H new