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= -1.1 F(o=-2.8!,f=-1.4) USER MOD Set 1.2: A 62 CYS SG : rot 112:sc= -0.336 USER MOD Set 2.1: A 30 CYS SG : rot 137:sc= 0.00236! USER MOD Set 2.2: A 79 CYS SG : rot 113:sc= -0.288 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.277 K(o=-0.28,f=-1) USER MOD Single : A 18 GLN : amide:sc= -1.65! C(o=-1.6!,f=-3!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 33 ASN : amide:sc= -4.63! C(o=-4.6!,f=-6.2!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -143:sc= 0.00947 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.175 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0.204 K(o=0.2,f=-1.7!) USER MOD Single : A 71 MET CE :methyl 156:sc= -2.44! (180deg=-3.57!) USER MOD Single : A 74 THR OG1 : rot 79:sc= -0.422 USER MOD Single : A 77 TYR OH : rot -30:sc= 0.00956 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -102:sc= -2.66! USER MOD Single : A 83 GLN : amide:sc= -0.0304 K(o=-0.03,f=-0.74) USER MOD Single : A 86 THR OG1 : rot 60:sc= -0.329! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -170:sc= -0.492 (180deg=-1.04) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -14.138 16.176 4.601 1.00 0.00 N ATOM 81 CA ALA A 9 -13.470 16.163 3.305 1.00 0.00 C ATOM 82 C ALA A 9 -13.911 14.964 2.472 1.00 0.00 C ATOM 83 O ALA A 9 -14.049 13.855 2.988 1.00 0.00 O ATOM 84 CB ALA A 9 -11.960 16.153 3.490 1.00 0.00 C ATOM 0 HA ALA A 9 -13.753 17.069 2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.474 16.143 2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.655 17.044 4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.668 15.264 4.050 1.00 0.00 H new ATOM 90 N ARG A 10 -14.132 15.195 1.182 1.00 0.00 N ATOM 91 CA ARG A 10 -14.559 14.134 0.278 1.00 0.00 C ATOM 92 C ARG A 10 -13.501 13.869 -0.788 1.00 0.00 C ATOM 93 O ARG A 10 -12.817 14.788 -1.241 1.00 0.00 O ATOM 94 CB ARG A 10 -15.887 14.504 -0.385 1.00 0.00 C ATOM 95 CG ARG A 10 -15.750 15.555 -1.475 1.00 0.00 C ATOM 96 CD ARG A 10 -17.074 16.255 -1.742 1.00 0.00 C ATOM 97 NE ARG A 10 -17.866 15.561 -2.753 1.00 0.00 N ATOM 98 CZ ARG A 10 -18.825 16.144 -3.464 1.00 0.00 C ATOM 99 NH1 ARG A 10 -19.108 17.425 -3.275 1.00 0.00 N ATOM 100 NH2 ARG A 10 -19.502 15.445 -4.366 1.00 0.00 N ATOM 0 H ARG A 10 -14.022 16.107 0.740 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.694 13.225 0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.333 13.606 -0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.575 14.870 0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.001 16.290 -1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -15.394 15.086 -2.392 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -17.644 16.318 -0.815 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -16.884 17.277 -2.069 1.00 0.00 H new ATOM 0 HE ARG A 10 -17.672 14.574 -2.923 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.589 17.965 -2.583 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.845 17.871 -3.822 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -19.286 14.459 -4.514 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -20.238 15.894 -4.911 1.00 0.00 H new ATOM 114 N PHE A 11 -13.371 12.608 -1.186 1.00 0.00 N ATOM 115 CA PHE A 11 -12.396 12.222 -2.199 1.00 0.00 C ATOM 116 C PHE A 11 -12.812 12.728 -3.577 1.00 0.00 C ATOM 117 O PHE A 11 -13.714 12.174 -4.207 1.00 0.00 O ATOM 118 CB PHE A 11 -12.236 10.700 -2.229 1.00 0.00 C ATOM 119 CG PHE A 11 -11.606 10.139 -0.987 1.00 0.00 C ATOM 120 CD1 PHE A 11 -10.228 10.052 -0.871 1.00 0.00 C ATOM 121 CD2 PHE A 11 -12.392 9.699 0.066 1.00 0.00 C ATOM 122 CE1 PHE A 11 -9.646 9.535 0.271 1.00 0.00 C ATOM 123 CE2 PHE A 11 -11.815 9.181 1.211 1.00 0.00 C ATOM 124 CZ PHE A 11 -10.440 9.100 1.314 1.00 0.00 C ATOM 0 H PHE A 11 -13.929 11.836 -0.822 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.440 12.677 -1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.215 10.242 -2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.629 10.423 -3.091 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.602 10.392 -1.682 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.468 9.761 -0.008 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.571 9.471 0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.439 8.840 2.024 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.987 8.698 2.208 1.00 0.00 H new ATOM 134 N ILE A 12 -12.150 13.784 -4.037 1.00 0.00 N ATOM 135 CA ILE A 12 -12.451 14.365 -5.340 1.00 0.00 C ATOM 136 C ILE A 12 -11.964 13.464 -6.469 1.00 0.00 C ATOM 137 O ILE A 12 -12.520 13.474 -7.567 1.00 0.00 O ATOM 138 CB ILE A 12 -11.810 15.757 -5.496 1.00 0.00 C ATOM 139 CG1 ILE A 12 -10.287 15.657 -5.387 1.00 0.00 C ATOM 140 CG2 ILE A 12 -12.360 16.714 -4.450 1.00 0.00 C ATOM 141 CD1 ILE A 12 -9.566 16.906 -5.842 1.00 0.00 C ATOM 0 H ILE A 12 -11.402 14.255 -3.527 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.535 14.464 -5.400 1.00 0.00 H new ATOM 0 HB ILE A 12 -12.060 16.147 -6.483 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.018 15.449 -4.352 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.943 14.811 -5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.897 17.693 -4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -13.439 16.805 -4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.138 16.331 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.490 16.764 -5.737 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.806 17.104 -6.887 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.882 17.751 -5.231 1.00 0.00 H new ATOM 153 N GLU A 13 -10.923 12.685 -6.191 1.00 0.00 N ATOM 154 CA GLU A 13 -10.363 11.776 -7.184 1.00 0.00 C ATOM 155 C GLU A 13 -10.257 10.359 -6.627 1.00 0.00 C ATOM 156 O GLU A 13 -9.523 10.109 -5.672 1.00 0.00 O ATOM 157 CB GLU A 13 -8.983 12.264 -7.632 1.00 0.00 C ATOM 158 CG GLU A 13 -9.037 13.377 -8.666 1.00 0.00 C ATOM 159 CD GLU A 13 -7.698 13.616 -9.336 1.00 0.00 C ATOM 160 OE1 GLU A 13 -7.136 12.652 -9.897 1.00 0.00 O ATOM 161 OE2 GLU A 13 -7.213 14.766 -9.299 1.00 0.00 O ATOM 0 H GLU A 13 -10.451 12.665 -5.287 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.033 11.760 -8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.431 12.616 -6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.426 11.423 -8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.779 13.128 -9.424 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.369 14.298 -8.186 1.00 0.00 H new ATOM 168 N ASP A 14 -10.997 9.436 -7.232 1.00 0.00 N ATOM 169 CA ASP A 14 -10.987 8.044 -6.798 1.00 0.00 C ATOM 170 C ASP A 14 -9.783 7.305 -7.371 1.00 0.00 C ATOM 171 O ASP A 14 -9.530 7.347 -8.575 1.00 0.00 O ATOM 172 CB ASP A 14 -12.280 7.346 -7.224 1.00 0.00 C ATOM 173 CG ASP A 14 -12.798 7.851 -8.556 1.00 0.00 C ATOM 174 OD1 ASP A 14 -11.970 8.238 -9.407 1.00 0.00 O ATOM 175 OD2 ASP A 14 -14.033 7.859 -8.748 1.00 0.00 O ATOM 0 H ASP A 14 -11.611 9.627 -8.024 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.916 8.028 -5.710 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.105 6.272 -7.289 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.041 7.500 -6.459 1.00 0.00 H new ATOM 180 N VAL A 15 -9.040 6.629 -6.500 1.00 0.00 N ATOM 181 CA VAL A 15 -7.862 5.880 -6.919 1.00 0.00 C ATOM 182 C VAL A 15 -8.166 5.009 -8.133 1.00 0.00 C ATOM 183 O VAL A 15 -9.328 4.757 -8.454 1.00 0.00 O ATOM 184 CB VAL A 15 -7.330 4.987 -5.782 1.00 0.00 C ATOM 185 CG1 VAL A 15 -6.965 5.829 -4.569 1.00 0.00 C ATOM 186 CG2 VAL A 15 -8.356 3.925 -5.415 1.00 0.00 C ATOM 0 H VAL A 15 -9.234 6.585 -5.500 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.100 6.613 -7.183 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.428 4.483 -6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.591 5.182 -3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.194 6.548 -4.844 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.848 6.361 -4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.964 3.303 -4.610 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.277 4.407 -5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.564 3.303 -6.286 1.00 0.00 H new ATOM 196 N LYS A 16 -7.115 4.552 -8.805 1.00 0.00 N ATOM 197 CA LYS A 16 -7.268 3.708 -9.984 1.00 0.00 C ATOM 198 C LYS A 16 -6.978 2.248 -9.649 1.00 0.00 C ATOM 199 O LYS A 16 -6.159 1.952 -8.780 1.00 0.00 O ATOM 200 CB LYS A 16 -6.335 4.181 -11.100 1.00 0.00 C ATOM 201 CG LYS A 16 -6.390 5.679 -11.345 1.00 0.00 C ATOM 202 CD LYS A 16 -7.773 6.120 -11.793 1.00 0.00 C ATOM 203 CE LYS A 16 -7.757 7.541 -12.335 1.00 0.00 C ATOM 204 NZ LYS A 16 -7.313 7.588 -13.756 1.00 0.00 N ATOM 0 H LYS A 16 -6.147 4.752 -8.553 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.300 3.786 -10.325 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.312 3.899 -10.850 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.593 3.661 -12.022 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.116 6.208 -10.432 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.657 5.952 -12.104 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.141 5.441 -12.562 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.466 6.057 -10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.754 7.973 -12.252 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.092 8.154 -11.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.316 8.574 -14.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.351 7.200 -13.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.962 7.024 -14.341 1.00 0.00 H new ATOM 218 N ASN A 17 -7.655 1.340 -10.345 1.00 0.00 N ATOM 219 CA ASN A 17 -7.469 -0.089 -10.121 1.00 0.00 C ATOM 220 C ASN A 17 -5.995 -0.418 -9.904 1.00 0.00 C ATOM 221 O ASN A 17 -5.115 0.234 -10.465 1.00 0.00 O ATOM 222 CB ASN A 17 -8.011 -0.887 -11.309 1.00 0.00 C ATOM 223 CG ASN A 17 -9.230 -0.236 -11.935 1.00 0.00 C ATOM 224 OD1 ASN A 17 -9.109 0.603 -12.828 1.00 0.00 O ATOM 225 ND2 ASN A 17 -10.411 -0.621 -11.467 1.00 0.00 N ATOM 0 H ASN A 17 -8.337 1.568 -11.068 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.021 -0.366 -9.223 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.230 -0.988 -12.062 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.269 -1.894 -10.980 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.267 -0.218 -11.849 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.463 -1.320 -10.726 1.00 0.00 H new ATOM 232 N GLN A 18 -5.736 -1.433 -9.086 1.00 0.00 N ATOM 233 CA GLN A 18 -4.368 -1.848 -8.795 1.00 0.00 C ATOM 234 C GLN A 18 -4.048 -3.178 -9.469 1.00 0.00 C ATOM 235 O GLN A 18 -4.928 -4.018 -9.654 1.00 0.00 O ATOM 236 CB GLN A 18 -4.160 -1.966 -7.284 1.00 0.00 C ATOM 237 CG GLN A 18 -2.715 -1.772 -6.852 1.00 0.00 C ATOM 238 CD GLN A 18 -2.135 -0.455 -7.330 1.00 0.00 C ATOM 239 OE1 GLN A 18 -1.000 -0.399 -7.803 1.00 0.00 O ATOM 240 NE2 GLN A 18 -2.914 0.614 -7.208 1.00 0.00 N ATOM 0 H GLN A 18 -6.454 -1.983 -8.614 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.692 -1.089 -9.190 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.783 -1.227 -6.781 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.501 -2.948 -6.954 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.656 -1.818 -5.765 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.111 -2.593 -7.239 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.849 0.521 -6.810 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.578 1.528 -7.512 1.00 0.00 H new ATOM 249 N GLU A 19 -2.783 -3.361 -9.834 1.00 0.00 N ATOM 250 CA GLU A 19 -2.348 -4.589 -10.489 1.00 0.00 C ATOM 251 C GLU A 19 -0.844 -4.790 -10.325 1.00 0.00 C ATOM 252 O GLU A 19 -0.056 -3.872 -10.552 1.00 0.00 O ATOM 253 CB GLU A 19 -2.710 -4.556 -11.976 1.00 0.00 C ATOM 254 CG GLU A 19 -2.503 -5.886 -12.682 1.00 0.00 C ATOM 255 CD GLU A 19 -3.461 -6.086 -13.840 1.00 0.00 C ATOM 256 OE1 GLU A 19 -3.297 -5.402 -14.872 1.00 0.00 O ATOM 257 OE2 GLU A 19 -4.376 -6.927 -13.714 1.00 0.00 O ATOM 0 H GLU A 19 -2.042 -2.675 -9.687 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.863 -5.425 -10.015 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.753 -4.257 -12.081 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.108 -3.794 -12.471 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.478 -5.943 -13.049 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.630 -6.697 -11.965 1.00 0.00 H new ATOM 264 N ALA A 20 -0.454 -5.997 -9.929 1.00 0.00 N ATOM 265 CA ALA A 20 0.954 -6.319 -9.735 1.00 0.00 C ATOM 266 C ALA A 20 1.145 -7.809 -9.469 1.00 0.00 C ATOM 267 O ALA A 20 0.380 -8.418 -8.722 1.00 0.00 O ATOM 268 CB ALA A 20 1.531 -5.499 -8.591 1.00 0.00 C ATOM 0 H ALA A 20 -1.094 -6.768 -9.736 1.00 0.00 H new ATOM 0 HA ALA A 20 1.488 -6.069 -10.652 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.583 -5.750 -8.458 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.438 -4.438 -8.821 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.986 -5.721 -7.673 1.00 0.00 H new ATOM 274 N ARG A 21 2.169 -8.389 -10.086 1.00 0.00 N ATOM 275 CA ARG A 21 2.458 -9.808 -9.917 1.00 0.00 C ATOM 276 C ARG A 21 2.867 -10.112 -8.479 1.00 0.00 C ATOM 277 O ARG A 21 3.433 -9.262 -7.792 1.00 0.00 O ATOM 278 CB ARG A 21 3.568 -10.242 -10.877 1.00 0.00 C ATOM 279 CG ARG A 21 4.882 -9.509 -10.660 1.00 0.00 C ATOM 280 CD ARG A 21 6.072 -10.371 -11.051 1.00 0.00 C ATOM 281 NE ARG A 21 7.199 -9.569 -11.519 1.00 0.00 N ATOM 282 CZ ARG A 21 8.456 -9.997 -11.520 1.00 0.00 C ATOM 283 NH1 ARG A 21 8.745 -11.214 -11.080 1.00 0.00 N ATOM 284 NH2 ARG A 21 9.427 -9.208 -11.962 1.00 0.00 N ATOM 0 H ARG A 21 2.812 -7.898 -10.707 1.00 0.00 H new ATOM 0 HA ARG A 21 1.551 -10.368 -10.144 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.736 -11.313 -10.764 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.235 -10.078 -11.902 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.889 -8.590 -11.247 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.970 -9.219 -9.613 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.384 -10.969 -10.194 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.773 -11.068 -11.834 1.00 0.00 H new ATOM 0 HE ARG A 21 7.010 -8.628 -11.864 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.001 -11.823 -10.740 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.711 -11.541 -11.082 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.208 -8.271 -12.302 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.392 -9.538 -11.962 1.00 0.00 H new ATOM 298 N GLU A 22 2.576 -11.329 -8.031 1.00 0.00 N ATOM 299 CA GLU A 22 2.913 -11.744 -6.674 1.00 0.00 C ATOM 300 C GLU A 22 4.334 -11.323 -6.313 1.00 0.00 C ATOM 301 O GLU A 22 5.210 -11.254 -7.174 1.00 0.00 O ATOM 302 CB GLU A 22 2.766 -13.260 -6.529 1.00 0.00 C ATOM 303 CG GLU A 22 1.379 -13.697 -6.087 1.00 0.00 C ATOM 304 CD GLU A 22 1.335 -15.152 -5.661 1.00 0.00 C ATOM 305 OE1 GLU A 22 1.709 -16.021 -6.475 1.00 0.00 O ATOM 306 OE2 GLU A 22 0.926 -15.420 -4.512 1.00 0.00 O ATOM 0 H GLU A 22 2.108 -12.045 -8.587 1.00 0.00 H new ATOM 0 HA GLU A 22 2.222 -11.252 -5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.000 -13.732 -7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.499 -13.620 -5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.051 -13.069 -5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.675 -13.540 -6.904 1.00 0.00 H new ATOM 313 N GLY A 23 4.555 -11.041 -5.033 1.00 0.00 N ATOM 314 CA GLY A 23 5.871 -10.630 -4.580 1.00 0.00 C ATOM 315 C GLY A 23 6.211 -9.213 -4.997 1.00 0.00 C ATOM 316 O GLY A 23 7.384 -8.854 -5.104 1.00 0.00 O ATOM 0 H GLY A 23 3.846 -11.090 -4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.918 -10.707 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.620 -11.313 -4.981 1.00 0.00 H new ATOM 320 N ALA A 24 5.183 -8.405 -5.236 1.00 0.00 N ATOM 321 CA ALA A 24 5.379 -7.019 -5.643 1.00 0.00 C ATOM 322 C ALA A 24 4.853 -6.056 -4.585 1.00 0.00 C ATOM 323 O ALA A 24 4.419 -6.474 -3.510 1.00 0.00 O ATOM 324 CB ALA A 24 4.698 -6.761 -6.979 1.00 0.00 C ATOM 0 H ALA A 24 4.206 -8.687 -5.155 1.00 0.00 H new ATOM 0 HA ALA A 24 6.450 -6.846 -5.753 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.852 -5.722 -7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.124 -7.418 -7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.630 -6.957 -6.887 1.00 0.00 H new ATOM 330 N THR A 25 4.895 -4.764 -4.894 1.00 0.00 N ATOM 331 CA THR A 25 4.425 -3.741 -3.968 1.00 0.00 C ATOM 332 C THR A 25 3.392 -2.835 -4.628 1.00 0.00 C ATOM 333 O THR A 25 3.735 -1.980 -5.445 1.00 0.00 O ATOM 334 CB THR A 25 5.590 -2.878 -3.446 1.00 0.00 C ATOM 335 OG1 THR A 25 6.619 -3.717 -2.911 1.00 0.00 O ATOM 336 CG2 THR A 25 5.108 -1.911 -2.375 1.00 0.00 C ATOM 0 H THR A 25 5.250 -4.401 -5.779 1.00 0.00 H new ATOM 0 HA THR A 25 3.964 -4.262 -3.129 1.00 0.00 H new ATOM 0 HB THR A 25 5.990 -2.302 -4.280 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.357 -3.161 -2.583 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.947 -1.312 -2.021 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.345 -1.255 -2.794 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.686 -2.472 -1.541 1.00 0.00 H new ATOM 344 N ALA A 26 2.128 -3.027 -4.269 1.00 0.00 N ATOM 345 CA ALA A 26 1.045 -2.224 -4.825 1.00 0.00 C ATOM 346 C ALA A 26 1.162 -0.768 -4.389 1.00 0.00 C ATOM 347 O ALA A 26 1.833 -0.455 -3.405 1.00 0.00 O ATOM 348 CB ALA A 26 -0.303 -2.796 -4.409 1.00 0.00 C ATOM 0 H ALA A 26 1.828 -3.732 -3.595 1.00 0.00 H new ATOM 0 HA ALA A 26 1.121 -2.257 -5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.103 -2.187 -4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.393 -3.818 -4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.380 -2.793 -3.322 1.00 0.00 H new ATOM 354 N VAL A 27 0.504 0.121 -5.127 1.00 0.00 N ATOM 355 CA VAL A 27 0.534 1.545 -4.817 1.00 0.00 C ATOM 356 C VAL A 27 -0.811 2.199 -5.110 1.00 0.00 C ATOM 357 O VAL A 27 -1.261 2.234 -6.256 1.00 0.00 O ATOM 358 CB VAL A 27 1.631 2.271 -5.617 1.00 0.00 C ATOM 359 CG1 VAL A 27 1.805 3.696 -5.114 1.00 0.00 C ATOM 360 CG2 VAL A 27 2.943 1.505 -5.538 1.00 0.00 C ATOM 0 H VAL A 27 -0.057 -0.121 -5.944 1.00 0.00 H new ATOM 0 HA VAL A 27 0.753 1.633 -3.753 1.00 0.00 H new ATOM 0 HB VAL A 27 1.325 2.315 -6.662 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.584 4.193 -5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.867 4.239 -5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.089 3.678 -4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.707 2.032 -6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.257 1.427 -4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.806 0.506 -5.951 1.00 0.00 H new ATOM 370 N LEU A 28 -1.450 2.718 -4.067 1.00 0.00 N ATOM 371 CA LEU A 28 -2.745 3.373 -4.211 1.00 0.00 C ATOM 372 C LEU A 28 -2.647 4.856 -3.865 1.00 0.00 C ATOM 373 O LEU A 28 -2.336 5.218 -2.730 1.00 0.00 O ATOM 374 CB LEU A 28 -3.784 2.696 -3.316 1.00 0.00 C ATOM 375 CG LEU A 28 -4.286 1.330 -3.785 1.00 0.00 C ATOM 376 CD1 LEU A 28 -4.674 0.466 -2.595 1.00 0.00 C ATOM 377 CD2 LEU A 28 -5.464 1.492 -4.735 1.00 0.00 C ATOM 0 H LEU A 28 -1.092 2.698 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.057 3.282 -5.251 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.357 2.581 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.641 3.362 -3.220 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.478 0.832 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.029 -0.502 -2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.806 0.322 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.466 0.959 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.808 0.510 -5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.275 2.010 -4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.153 2.072 -5.604 1.00 0.00 H new ATOM 389 N GLN A 29 -2.917 5.707 -4.849 1.00 0.00 N ATOM 390 CA GLN A 29 -2.861 7.150 -4.646 1.00 0.00 C ATOM 391 C GLN A 29 -4.233 7.783 -4.854 1.00 0.00 C ATOM 392 O GLN A 29 -4.989 7.374 -5.737 1.00 0.00 O ATOM 393 CB GLN A 29 -1.846 7.781 -5.601 1.00 0.00 C ATOM 394 CG GLN A 29 -0.419 7.307 -5.371 1.00 0.00 C ATOM 395 CD GLN A 29 0.553 7.868 -6.390 1.00 0.00 C ATOM 396 OE1 GLN A 29 0.322 8.932 -6.966 1.00 0.00 O ATOM 397 NE2 GLN A 29 1.648 7.153 -6.619 1.00 0.00 N ATOM 0 H GLN A 29 -3.176 5.423 -5.794 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.548 7.335 -3.619 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.135 7.554 -6.627 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.882 8.865 -5.492 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.100 7.599 -4.371 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.391 6.218 -5.409 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.799 6.277 -6.119 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.338 7.480 -7.295 1.00 0.00 H new ATOM 406 N CYS A 30 -4.548 8.781 -4.037 1.00 0.00 N ATOM 407 CA CYS A 30 -5.831 9.470 -4.130 1.00 0.00 C ATOM 408 C CYS A 30 -5.666 10.963 -3.866 1.00 0.00 C ATOM 409 O CYS A 30 -4.550 11.455 -3.704 1.00 0.00 O ATOM 410 CB CYS A 30 -6.829 8.871 -3.138 1.00 0.00 C ATOM 411 SG CYS A 30 -6.716 9.561 -1.471 1.00 0.00 S ATOM 0 H CYS A 30 -3.933 9.132 -3.303 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.214 9.338 -5.142 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.839 9.027 -3.516 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.671 7.794 -3.085 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.912 9.770 -1.006 1.00 0.00 H new ATOM 417 N GLU A 31 -6.786 11.679 -3.826 1.00 0.00 N ATOM 418 CA GLU A 31 -6.765 13.117 -3.584 1.00 0.00 C ATOM 419 C GLU A 31 -8.003 13.556 -2.807 1.00 0.00 C ATOM 420 O GLU A 31 -9.046 12.904 -2.859 1.00 0.00 O ATOM 421 CB GLU A 31 -6.684 13.878 -4.909 1.00 0.00 C ATOM 422 CG GLU A 31 -6.235 15.321 -4.755 1.00 0.00 C ATOM 423 CD GLU A 31 -6.186 16.061 -6.078 1.00 0.00 C ATOM 424 OE1 GLU A 31 -6.034 15.398 -7.124 1.00 0.00 O ATOM 425 OE2 GLU A 31 -6.301 17.305 -6.065 1.00 0.00 O ATOM 0 H GLU A 31 -7.718 11.287 -3.958 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.882 13.347 -2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.993 13.360 -5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.662 13.860 -5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.915 15.839 -4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.248 15.343 -4.294 1.00 0.00 H new ATOM 432 N LEU A 32 -7.878 14.665 -2.086 1.00 0.00 N ATOM 433 CA LEU A 32 -8.986 15.192 -1.297 1.00 0.00 C ATOM 434 C LEU A 32 -9.169 16.686 -1.545 1.00 0.00 C ATOM 435 O LEU A 32 -8.215 17.393 -1.870 1.00 0.00 O ATOM 436 CB LEU A 32 -8.744 14.938 0.192 1.00 0.00 C ATOM 437 CG LEU A 32 -8.643 13.471 0.615 1.00 0.00 C ATOM 438 CD1 LEU A 32 -7.724 13.324 1.817 1.00 0.00 C ATOM 439 CD2 LEU A 32 -10.023 12.910 0.923 1.00 0.00 C ATOM 0 H LEU A 32 -7.021 15.216 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.896 14.676 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.822 15.443 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.553 15.403 0.756 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.218 12.902 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.665 12.274 2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.729 13.687 1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.119 13.905 2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.933 11.866 1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.476 13.482 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.651 12.980 0.035 1.00 0.00 H new ATOM 451 N ASN A 33 -10.400 17.160 -1.389 1.00 0.00 N ATOM 452 CA ASN A 33 -10.708 18.571 -1.595 1.00 0.00 C ATOM 453 C ASN A 33 -10.030 19.436 -0.537 1.00 0.00 C ATOM 454 O ASN A 33 -9.773 20.619 -0.759 1.00 0.00 O ATOM 455 CB ASN A 33 -12.221 18.795 -1.559 1.00 0.00 C ATOM 456 CG ASN A 33 -12.726 19.112 -0.165 1.00 0.00 C ATOM 457 OD1 ASN A 33 -12.285 20.075 0.463 1.00 0.00 O ATOM 458 ND2 ASN A 33 -13.656 18.301 0.327 1.00 0.00 N ATOM 0 H ASN A 33 -11.201 16.588 -1.121 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.328 18.861 -2.575 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.480 19.613 -2.231 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.726 17.904 -1.932 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.033 18.465 1.260 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.993 17.515 -0.229 1.00 0.00 H new ATOM 465 N SER A 34 -9.741 18.836 0.614 1.00 0.00 N ATOM 466 CA SER A 34 -9.096 19.552 1.708 1.00 0.00 C ATOM 467 C SER A 34 -8.242 18.606 2.547 1.00 0.00 C ATOM 468 O SER A 34 -8.589 17.441 2.734 1.00 0.00 O ATOM 469 CB SER A 34 -10.145 20.230 2.591 1.00 0.00 C ATOM 470 OG SER A 34 -9.532 21.001 3.610 1.00 0.00 O ATOM 0 H SER A 34 -9.943 17.856 0.812 1.00 0.00 H new ATOM 0 HA SER A 34 -8.447 20.315 1.278 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.781 20.870 1.979 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.790 19.475 3.040 1.00 0.00 H new ATOM 0 HG SER A 34 -10.223 21.426 4.160 1.00 0.00 H new ATOM 476 N ALA A 35 -7.123 19.118 3.050 1.00 0.00 N ATOM 477 CA ALA A 35 -6.220 18.321 3.871 1.00 0.00 C ATOM 478 C ALA A 35 -6.991 17.512 4.908 1.00 0.00 C ATOM 479 O ALA A 35 -7.666 18.073 5.770 1.00 0.00 O ATOM 480 CB ALA A 35 -5.197 19.217 4.552 1.00 0.00 C ATOM 0 H ALA A 35 -6.821 20.081 2.903 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.697 17.622 3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.529 18.609 5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.617 19.747 3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.711 19.939 5.187 1.00 0.00 H new ATOM 486 N ALA A 36 -6.887 16.190 4.817 1.00 0.00 N ATOM 487 CA ALA A 36 -7.573 15.304 5.749 1.00 0.00 C ATOM 488 C ALA A 36 -6.956 13.909 5.736 1.00 0.00 C ATOM 489 O ALA A 36 -6.433 13.445 4.722 1.00 0.00 O ATOM 490 CB ALA A 36 -9.055 15.231 5.413 1.00 0.00 C ATOM 0 H ALA A 36 -6.334 15.709 4.107 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.459 15.714 6.753 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.555 14.566 6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.493 16.227 5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.180 14.848 4.400 1.00 0.00 H new ATOM 496 N PRO A 37 -7.017 13.223 6.887 1.00 0.00 N ATOM 497 CA PRO A 37 -6.469 11.872 7.033 1.00 0.00 C ATOM 498 C PRO A 37 -7.273 10.833 6.258 1.00 0.00 C ATOM 499 O PRO A 37 -8.293 11.153 5.646 1.00 0.00 O ATOM 500 CB PRO A 37 -6.567 11.610 8.538 1.00 0.00 C ATOM 501 CG PRO A 37 -7.676 12.489 9.004 1.00 0.00 C ATOM 502 CD PRO A 37 -7.626 13.715 8.134 1.00 0.00 C ATOM 0 HA PRO A 37 -5.455 11.799 6.639 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.780 10.561 8.744 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.632 11.851 9.044 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.638 11.985 8.913 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.551 12.751 10.055 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.621 14.126 7.961 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.029 14.506 8.588 1.00 0.00 H new ATOM 510 N VAL A 38 -6.809 9.588 6.289 1.00 0.00 N ATOM 511 CA VAL A 38 -7.486 8.502 5.591 1.00 0.00 C ATOM 512 C VAL A 38 -7.231 7.164 6.276 1.00 0.00 C ATOM 513 O VAL A 38 -6.306 7.033 7.077 1.00 0.00 O ATOM 514 CB VAL A 38 -7.031 8.409 4.122 1.00 0.00 C ATOM 515 CG1 VAL A 38 -7.481 9.637 3.345 1.00 0.00 C ATOM 516 CG2 VAL A 38 -5.521 8.241 4.042 1.00 0.00 C ATOM 0 H VAL A 38 -5.967 9.306 6.790 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.553 8.724 5.620 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.496 7.532 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.151 9.554 2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.568 9.708 3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.047 10.531 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.217 8.177 2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.034 9.097 4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.228 7.329 4.562 1.00 0.00 H new ATOM 526 N GLU A 39 -8.057 6.174 5.954 1.00 0.00 N ATOM 527 CA GLU A 39 -7.920 4.845 6.540 1.00 0.00 C ATOM 528 C GLU A 39 -8.011 3.765 5.466 1.00 0.00 C ATOM 529 O GLU A 39 -9.083 3.217 5.213 1.00 0.00 O ATOM 530 CB GLU A 39 -8.998 4.618 7.601 1.00 0.00 C ATOM 531 CG GLU A 39 -9.020 3.202 8.154 1.00 0.00 C ATOM 532 CD GLU A 39 -10.185 2.960 9.093 1.00 0.00 C ATOM 533 OE1 GLU A 39 -10.026 3.198 10.309 1.00 0.00 O ATOM 534 OE2 GLU A 39 -11.256 2.533 8.613 1.00 0.00 O ATOM 0 H GLU A 39 -8.827 6.266 5.292 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.939 4.782 7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.841 5.317 8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.973 4.846 7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.072 2.494 7.327 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.086 3.008 8.682 1.00 0.00 H new ATOM 541 N TRP A 40 -6.879 3.466 4.839 1.00 0.00 N ATOM 542 CA TRP A 40 -6.831 2.452 3.792 1.00 0.00 C ATOM 543 C TRP A 40 -7.332 1.109 4.311 1.00 0.00 C ATOM 544 O TRP A 40 -6.738 0.522 5.216 1.00 0.00 O ATOM 545 CB TRP A 40 -5.405 2.307 3.259 1.00 0.00 C ATOM 546 CG TRP A 40 -4.918 3.520 2.527 1.00 0.00 C ATOM 547 CD1 TRP A 40 -4.174 4.544 3.040 1.00 0.00 C ATOM 548 CD2 TRP A 40 -5.142 3.836 1.148 1.00 0.00 C ATOM 549 NE1 TRP A 40 -3.923 5.478 2.064 1.00 0.00 N ATOM 550 CE2 TRP A 40 -4.505 5.067 0.894 1.00 0.00 C ATOM 551 CE3 TRP A 40 -5.818 3.199 0.104 1.00 0.00 C ATOM 552 CZ2 TRP A 40 -4.526 5.670 -0.360 1.00 0.00 C ATOM 553 CZ3 TRP A 40 -5.838 3.800 -1.141 1.00 0.00 C ATOM 554 CH2 TRP A 40 -5.195 5.024 -1.365 1.00 0.00 C ATOM 0 H TRP A 40 -5.983 3.911 5.037 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.484 2.773 2.980 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.733 2.100 4.092 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.360 1.446 2.592 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.833 4.610 4.063 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.390 6.338 2.190 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.316 2.254 0.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -4.032 6.614 -0.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.358 3.317 -1.955 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.227 5.467 -2.349 1.00 0.00 H new ATOM 565 N ARG A 41 -8.427 0.627 3.733 1.00 0.00 N ATOM 566 CA ARG A 41 -9.008 -0.647 4.139 1.00 0.00 C ATOM 567 C ARG A 41 -8.688 -1.740 3.123 1.00 0.00 C ATOM 568 O ARG A 41 -7.973 -1.506 2.148 1.00 0.00 O ATOM 569 CB ARG A 41 -10.524 -0.514 4.299 1.00 0.00 C ATOM 570 CG ARG A 41 -10.941 0.638 5.199 1.00 0.00 C ATOM 571 CD ARG A 41 -12.448 0.841 5.180 1.00 0.00 C ATOM 572 NE ARG A 41 -12.918 1.563 6.360 1.00 0.00 N ATOM 573 CZ ARG A 41 -14.194 1.622 6.726 1.00 0.00 C ATOM 574 NH1 ARG A 41 -15.122 1.005 6.008 1.00 0.00 N ATOM 575 NH2 ARG A 41 -14.543 2.299 7.812 1.00 0.00 N ATOM 0 H ARG A 41 -8.930 1.100 2.982 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.571 -0.926 5.098 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.974 -0.378 3.316 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.921 -1.444 4.705 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.612 0.442 6.219 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.445 1.553 4.874 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.728 1.392 4.282 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.944 -0.128 5.127 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.229 2.048 6.934 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.857 0.483 5.172 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.101 1.052 6.291 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.832 2.775 8.367 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.523 2.344 8.092 1.00 0.00 H new ATOM 589 N LYS A 42 -9.222 -2.933 3.357 1.00 0.00 N ATOM 590 CA LYS A 42 -8.995 -4.062 2.462 1.00 0.00 C ATOM 591 C LYS A 42 -9.978 -5.192 2.752 1.00 0.00 C ATOM 592 O LYS A 42 -10.138 -5.611 3.897 1.00 0.00 O ATOM 593 CB LYS A 42 -7.559 -4.572 2.606 1.00 0.00 C ATOM 594 CG LYS A 42 -7.166 -5.590 1.549 1.00 0.00 C ATOM 595 CD LYS A 42 -7.504 -7.006 1.985 1.00 0.00 C ATOM 596 CE LYS A 42 -7.575 -7.953 0.797 1.00 0.00 C ATOM 597 NZ LYS A 42 -7.941 -9.336 1.211 1.00 0.00 N ATOM 0 H LYS A 42 -9.816 -3.144 4.159 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.152 -3.720 1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.875 -3.725 2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.439 -5.020 3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.681 -5.363 0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.097 -5.515 1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.752 -7.360 2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.459 -7.008 2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.308 -7.582 0.081 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.612 -7.969 0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.417 -10.022 0.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.699 -9.474 2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.963 -9.479 1.079 1.00 0.00 H new ATOM 611 N GLY A 43 -10.634 -5.683 1.704 1.00 0.00 N ATOM 612 CA GLY A 43 -11.592 -6.760 1.867 1.00 0.00 C ATOM 613 C GLY A 43 -12.373 -6.651 3.162 1.00 0.00 C ATOM 614 O GLY A 43 -12.605 -7.651 3.841 1.00 0.00 O ATOM 0 H GLY A 43 -10.519 -5.354 0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.286 -6.755 1.026 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.068 -7.715 1.842 1.00 0.00 H new ATOM 618 N SER A 44 -12.778 -5.432 3.506 1.00 0.00 N ATOM 619 CA SER A 44 -13.533 -5.195 4.731 1.00 0.00 C ATOM 620 C SER A 44 -12.622 -5.269 5.952 1.00 0.00 C ATOM 621 O SER A 44 -12.934 -5.947 6.931 1.00 0.00 O ATOM 622 CB SER A 44 -14.666 -6.215 4.862 1.00 0.00 C ATOM 623 OG SER A 44 -15.741 -5.687 5.621 1.00 0.00 O ATOM 0 H SER A 44 -12.596 -4.594 2.954 1.00 0.00 H new ATOM 0 HA SER A 44 -13.960 -4.194 4.678 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.021 -6.499 3.871 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.291 -7.121 5.338 1.00 0.00 H new ATOM 0 HG SER A 44 -16.453 -6.357 5.689 1.00 0.00 H new ATOM 629 N GLU A 45 -11.496 -4.566 5.887 1.00 0.00 N ATOM 630 CA GLU A 45 -10.540 -4.552 6.987 1.00 0.00 C ATOM 631 C GLU A 45 -9.701 -3.278 6.964 1.00 0.00 C ATOM 632 O GLU A 45 -9.220 -2.856 5.912 1.00 0.00 O ATOM 633 CB GLU A 45 -9.626 -5.778 6.914 1.00 0.00 C ATOM 634 CG GLU A 45 -8.328 -5.525 6.165 1.00 0.00 C ATOM 635 CD GLU A 45 -7.614 -6.808 5.786 1.00 0.00 C ATOM 636 OE1 GLU A 45 -7.807 -7.823 6.488 1.00 0.00 O ATOM 637 OE2 GLU A 45 -6.864 -6.798 4.787 1.00 0.00 O ATOM 0 H GLU A 45 -11.224 -3.999 5.084 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.101 -4.580 7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.393 -6.108 7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.163 -6.593 6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.539 -4.951 5.263 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.669 -4.916 6.783 1.00 0.00 H new ATOM 644 N THR A 46 -9.531 -2.667 8.133 1.00 0.00 N ATOM 645 CA THR A 46 -8.753 -1.439 8.247 1.00 0.00 C ATOM 646 C THR A 46 -7.258 -1.735 8.256 1.00 0.00 C ATOM 647 O THR A 46 -6.790 -2.600 8.998 1.00 0.00 O ATOM 648 CB THR A 46 -9.119 -0.660 9.525 1.00 0.00 C ATOM 649 OG1 THR A 46 -10.491 -0.255 9.476 1.00 0.00 O ATOM 650 CG2 THR A 46 -8.229 0.563 9.685 1.00 0.00 C ATOM 0 H THR A 46 -9.921 -3.002 9.014 1.00 0.00 H new ATOM 0 HA THR A 46 -8.994 -0.829 7.377 1.00 0.00 H new ATOM 0 HB THR A 46 -8.966 -1.317 10.381 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.716 0.238 10.293 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.505 1.098 10.594 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.187 0.249 9.751 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.356 1.220 8.825 1.00 0.00 H new ATOM 658 N LEU A 47 -6.512 -1.012 7.429 1.00 0.00 N ATOM 659 CA LEU A 47 -5.067 -1.196 7.342 1.00 0.00 C ATOM 660 C LEU A 47 -4.333 -0.131 8.151 1.00 0.00 C ATOM 661 O LEU A 47 -4.924 0.867 8.562 1.00 0.00 O ATOM 662 CB LEU A 47 -4.614 -1.147 5.882 1.00 0.00 C ATOM 663 CG LEU A 47 -5.433 -1.980 4.896 1.00 0.00 C ATOM 664 CD1 LEU A 47 -5.018 -1.675 3.465 1.00 0.00 C ATOM 665 CD2 LEU A 47 -5.277 -3.464 5.194 1.00 0.00 C ATOM 0 H LEU A 47 -6.883 -0.292 6.809 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.824 -2.174 7.758 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.632 -0.108 5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.577 -1.479 5.833 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.484 -1.715 5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.612 -2.277 2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.182 -0.618 3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.962 -1.911 3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.867 -4.042 4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.227 -3.744 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.625 -3.670 6.206 1.00 0.00 H new ATOM 677 N ARG A 48 -3.041 -0.351 8.373 1.00 0.00 N ATOM 678 CA ARG A 48 -2.226 0.590 9.132 1.00 0.00 C ATOM 679 C ARG A 48 -0.804 0.644 8.581 1.00 0.00 C ATOM 680 O ARG A 48 -0.324 -0.315 7.977 1.00 0.00 O ATOM 681 CB ARG A 48 -2.196 0.196 10.610 1.00 0.00 C ATOM 682 CG ARG A 48 -3.576 0.083 11.238 1.00 0.00 C ATOM 683 CD ARG A 48 -4.165 1.452 11.538 1.00 0.00 C ATOM 684 NE ARG A 48 -3.519 2.086 12.684 1.00 0.00 N ATOM 685 CZ ARG A 48 -4.085 3.045 13.409 1.00 0.00 C ATOM 686 NH1 ARG A 48 -5.302 3.477 13.109 1.00 0.00 N ATOM 687 NH2 ARG A 48 -3.433 3.573 14.437 1.00 0.00 N ATOM 0 H ARG A 48 -2.537 -1.172 8.038 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.674 1.579 9.036 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.680 -0.759 10.712 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.614 0.934 11.162 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.240 -0.460 10.565 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.512 -0.496 12.159 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.059 2.092 10.662 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.233 1.353 11.733 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.582 1.776 12.942 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.806 3.073 12.320 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.734 4.213 13.667 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.497 3.243 14.671 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.868 4.309 14.993 1.00 0.00 H new ATOM 701 N ASP A 49 -0.136 1.773 8.792 1.00 0.00 N ATOM 702 CA ASP A 49 1.231 1.953 8.317 1.00 0.00 C ATOM 703 C ASP A 49 2.215 1.180 9.189 1.00 0.00 C ATOM 704 O ASP A 49 2.128 1.208 10.416 1.00 0.00 O ATOM 705 CB ASP A 49 1.598 3.438 8.305 1.00 0.00 C ATOM 706 CG ASP A 49 2.199 3.897 9.619 1.00 0.00 C ATOM 707 OD1 ASP A 49 1.501 3.819 10.651 1.00 0.00 O ATOM 708 OD2 ASP A 49 3.370 4.332 9.614 1.00 0.00 O ATOM 0 H ASP A 49 -0.519 2.577 9.289 1.00 0.00 H new ATOM 0 HA ASP A 49 1.291 1.564 7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.307 3.627 7.499 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.707 4.028 8.091 1.00 0.00 H new ATOM 713 N GLY A 50 3.152 0.490 8.546 1.00 0.00 N ATOM 714 CA GLY A 50 4.139 -0.282 9.278 1.00 0.00 C ATOM 715 C GLY A 50 5.292 -0.729 8.402 1.00 0.00 C ATOM 716 O GLY A 50 5.801 0.045 7.592 1.00 0.00 O ATOM 0 H GLY A 50 3.245 0.452 7.531 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.525 0.317 10.103 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.659 -1.157 9.716 1.00 0.00 H new ATOM 720 N ASP A 51 5.707 -1.980 8.566 1.00 0.00 N ATOM 721 CA ASP A 51 6.809 -2.529 7.784 1.00 0.00 C ATOM 722 C ASP A 51 6.353 -2.873 6.370 1.00 0.00 C ATOM 723 O ASP A 51 6.893 -2.357 5.390 1.00 0.00 O ATOM 724 CB ASP A 51 7.377 -3.774 8.467 1.00 0.00 C ATOM 725 CG ASP A 51 8.855 -3.965 8.187 1.00 0.00 C ATOM 726 OD1 ASP A 51 9.603 -2.967 8.248 1.00 0.00 O ATOM 727 OD2 ASP A 51 9.262 -5.111 7.906 1.00 0.00 O ATOM 0 H ASP A 51 5.297 -2.633 9.233 1.00 0.00 H new ATOM 0 HA ASP A 51 7.590 -1.771 7.721 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.221 -3.698 9.543 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.829 -4.653 8.127 1.00 0.00 H new ATOM 732 N ARG A 52 5.357 -3.747 6.271 1.00 0.00 N ATOM 733 CA ARG A 52 4.830 -4.162 4.976 1.00 0.00 C ATOM 734 C ARG A 52 4.036 -3.033 4.326 1.00 0.00 C ATOM 735 O ARG A 52 4.189 -2.758 3.136 1.00 0.00 O ATOM 736 CB ARG A 52 3.944 -5.398 5.134 1.00 0.00 C ATOM 737 CG ARG A 52 4.712 -6.652 5.520 1.00 0.00 C ATOM 738 CD ARG A 52 4.030 -7.906 4.996 1.00 0.00 C ATOM 739 NE ARG A 52 4.586 -9.120 5.588 1.00 0.00 N ATOM 740 CZ ARG A 52 4.237 -9.581 6.784 1.00 0.00 C ATOM 741 NH1 ARG A 52 3.337 -8.933 7.511 1.00 0.00 N ATOM 742 NH2 ARG A 52 4.787 -10.692 7.255 1.00 0.00 N ATOM 0 H ARG A 52 4.899 -4.182 7.072 1.00 0.00 H new ATOM 0 HA ARG A 52 5.673 -4.409 4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.187 -5.198 5.892 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.417 -5.579 4.197 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.726 -6.595 5.124 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.796 -6.709 6.605 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.963 -7.854 5.210 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.136 -7.950 3.912 1.00 0.00 H new ATOM 0 HE ARG A 52 5.280 -9.642 5.054 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.911 -8.079 7.152 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.071 -9.289 8.429 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.479 -11.194 6.699 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.518 -11.045 8.174 1.00 0.00 H new ATOM 756 N TYR A 53 3.186 -2.384 5.115 1.00 0.00 N ATOM 757 CA TYR A 53 2.365 -1.287 4.616 1.00 0.00 C ATOM 758 C TYR A 53 3.077 0.050 4.793 1.00 0.00 C ATOM 759 O TYR A 53 3.965 0.187 5.634 1.00 0.00 O ATOM 760 CB TYR A 53 1.018 -1.261 5.339 1.00 0.00 C ATOM 761 CG TYR A 53 0.174 -2.491 5.093 1.00 0.00 C ATOM 762 CD1 TYR A 53 0.353 -3.643 5.848 1.00 0.00 C ATOM 763 CD2 TYR A 53 -0.804 -2.500 4.106 1.00 0.00 C ATOM 764 CE1 TYR A 53 -0.415 -4.770 5.625 1.00 0.00 C ATOM 765 CE2 TYR A 53 -1.578 -3.621 3.877 1.00 0.00 C ATOM 766 CZ TYR A 53 -1.380 -4.753 4.639 1.00 0.00 C ATOM 767 OH TYR A 53 -2.148 -5.873 4.416 1.00 0.00 O ATOM 0 H TYR A 53 3.048 -2.599 6.103 1.00 0.00 H new ATOM 0 HA TYR A 53 2.195 -1.449 3.552 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.192 -1.159 6.410 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.462 -0.379 5.021 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.105 -3.658 6.623 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.962 -1.615 3.507 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.261 -5.659 6.219 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.334 -3.611 3.106 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.781 -5.696 3.689 1.00 0.00 H new ATOM 777 N SER A 54 2.679 1.035 3.993 1.00 0.00 N ATOM 778 CA SER A 54 3.280 2.362 4.058 1.00 0.00 C ATOM 779 C SER A 54 2.283 3.432 3.623 1.00 0.00 C ATOM 780 O SER A 54 1.977 3.567 2.437 1.00 0.00 O ATOM 781 CB SER A 54 4.528 2.424 3.176 1.00 0.00 C ATOM 782 OG SER A 54 5.228 1.191 3.195 1.00 0.00 O ATOM 0 H SER A 54 1.943 0.939 3.293 1.00 0.00 H new ATOM 0 HA SER A 54 3.565 2.554 5.092 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.242 2.668 2.153 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.183 3.223 3.523 1.00 0.00 H new ATOM 0 HG SER A 54 6.021 1.256 2.622 1.00 0.00 H new ATOM 788 N LEU A 55 1.779 4.190 4.590 1.00 0.00 N ATOM 789 CA LEU A 55 0.815 5.249 4.309 1.00 0.00 C ATOM 790 C LEU A 55 1.500 6.611 4.268 1.00 0.00 C ATOM 791 O LEU A 55 1.800 7.198 5.308 1.00 0.00 O ATOM 792 CB LEU A 55 -0.291 5.253 5.365 1.00 0.00 C ATOM 793 CG LEU A 55 -1.253 4.065 5.334 1.00 0.00 C ATOM 794 CD1 LEU A 55 -0.527 2.780 5.702 1.00 0.00 C ATOM 795 CD2 LEU A 55 -2.426 4.304 6.274 1.00 0.00 C ATOM 0 H LEU A 55 2.021 4.091 5.576 1.00 0.00 H new ATOM 0 HA LEU A 55 0.374 5.055 3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.175 5.292 6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.872 6.168 5.250 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.640 3.962 4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.228 1.946 5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.279 2.601 4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.111 2.872 6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.100 3.448 6.239 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.057 4.434 7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.962 5.201 5.966 1.00 0.00 H new ATOM 807 N ARG A 56 1.742 7.110 3.060 1.00 0.00 N ATOM 808 CA ARG A 56 2.391 8.404 2.884 1.00 0.00 C ATOM 809 C ARG A 56 1.396 9.446 2.380 1.00 0.00 C ATOM 810 O ARG A 56 0.857 9.322 1.281 1.00 0.00 O ATOM 811 CB ARG A 56 3.559 8.283 1.904 1.00 0.00 C ATOM 812 CG ARG A 56 4.758 7.543 2.473 1.00 0.00 C ATOM 813 CD ARG A 56 5.860 7.387 1.437 1.00 0.00 C ATOM 814 NE ARG A 56 6.909 6.475 1.887 1.00 0.00 N ATOM 815 CZ ARG A 56 8.130 6.446 1.366 1.00 0.00 C ATOM 816 NH1 ARG A 56 8.456 7.275 0.383 1.00 0.00 N ATOM 817 NH2 ARG A 56 9.030 5.587 1.829 1.00 0.00 N ATOM 0 H ARG A 56 1.499 6.638 2.189 1.00 0.00 H new ATOM 0 HA ARG A 56 2.771 8.727 3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.217 7.767 1.007 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.871 9.282 1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.144 8.084 3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.446 6.560 2.825 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.432 7.016 0.506 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.296 8.363 1.221 1.00 0.00 H new ATOM 0 HE ARG A 56 6.692 5.825 2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.768 7.937 0.025 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.395 7.250 -0.015 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.784 4.949 2.585 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.968 5.565 1.428 1.00 0.00 H new ATOM 831 N GLN A 57 1.159 10.471 3.193 1.00 0.00 N ATOM 832 CA GLN A 57 0.229 11.533 2.830 1.00 0.00 C ATOM 833 C GLN A 57 0.954 12.867 2.687 1.00 0.00 C ATOM 834 O GLN A 57 1.848 13.186 3.472 1.00 0.00 O ATOM 835 CB GLN A 57 -0.878 11.651 3.879 1.00 0.00 C ATOM 836 CG GLN A 57 -1.933 12.691 3.537 1.00 0.00 C ATOM 837 CD GLN A 57 -2.741 13.122 4.745 1.00 0.00 C ATOM 838 OE1 GLN A 57 -4.040 12.850 4.715 1.00 0.00 O flip ATOM 839 NE2 GLN A 57 -2.204 13.693 5.694 1.00 0.00 N flip ATOM 0 H GLN A 57 1.598 10.588 4.106 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.217 11.278 1.869 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.361 10.681 3.996 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.430 11.902 4.841 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.449 13.564 3.098 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.605 12.286 2.781 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.202 13.882 5.675 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.761 13.977 6.500 1.00 0.00 H new ATOM 848 N ASP A 58 0.564 13.643 1.682 1.00 0.00 N ATOM 849 CA ASP A 58 1.177 14.943 1.437 1.00 0.00 C ATOM 850 C ASP A 58 0.114 16.029 1.308 1.00 0.00 C ATOM 851 O ASP A 58 -0.197 16.480 0.206 1.00 0.00 O ATOM 852 CB ASP A 58 2.033 14.897 0.170 1.00 0.00 C ATOM 853 CG ASP A 58 3.134 15.940 0.177 1.00 0.00 C ATOM 854 OD1 ASP A 58 3.647 16.254 1.271 1.00 0.00 O ATOM 855 OD2 ASP A 58 3.482 16.441 -0.913 1.00 0.00 O ATOM 0 H ASP A 58 -0.174 13.394 1.024 1.00 0.00 H new ATOM 0 HA ASP A 58 1.814 15.183 2.288 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.476 13.906 0.070 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.396 15.051 -0.701 1.00 0.00 H new ATOM 860 N GLY A 59 -0.442 16.444 2.442 1.00 0.00 N ATOM 861 CA GLY A 59 -1.465 17.473 2.434 1.00 0.00 C ATOM 862 C GLY A 59 -2.840 16.921 2.113 1.00 0.00 C ATOM 863 O GLY A 59 -3.594 16.548 3.013 1.00 0.00 O ATOM 0 H GLY A 59 -0.202 16.086 3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.492 17.962 3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.203 18.236 1.701 1.00 0.00 H new ATOM 867 N THR A 60 -3.170 16.869 0.827 1.00 0.00 N ATOM 868 CA THR A 60 -4.464 16.362 0.389 1.00 0.00 C ATOM 869 C THR A 60 -4.318 15.018 -0.316 1.00 0.00 C ATOM 870 O THR A 60 -5.252 14.216 -0.346 1.00 0.00 O ATOM 871 CB THR A 60 -5.165 17.353 -0.559 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.293 17.696 -1.641 1.00 0.00 O ATOM 873 CG2 THR A 60 -5.579 18.613 0.185 1.00 0.00 C ATOM 0 H THR A 60 -2.558 17.172 0.069 1.00 0.00 H new ATOM 0 HA THR A 60 -5.073 16.235 1.284 1.00 0.00 H new ATOM 0 HB THR A 60 -6.061 16.873 -0.953 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.747 18.325 -2.240 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.072 19.298 -0.505 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.266 18.351 0.989 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.696 19.094 0.605 1.00 0.00 H new ATOM 881 N LYS A 61 -3.140 14.777 -0.881 1.00 0.00 N ATOM 882 CA LYS A 61 -2.870 13.529 -1.585 1.00 0.00 C ATOM 883 C LYS A 61 -2.446 12.435 -0.610 1.00 0.00 C ATOM 884 O LYS A 61 -1.756 12.703 0.375 1.00 0.00 O ATOM 885 CB LYS A 61 -1.780 13.739 -2.638 1.00 0.00 C ATOM 886 CG LYS A 61 -2.280 14.411 -3.905 1.00 0.00 C ATOM 887 CD LYS A 61 -1.269 14.295 -5.034 1.00 0.00 C ATOM 888 CE LYS A 61 -1.525 15.329 -6.120 1.00 0.00 C ATOM 889 NZ LYS A 61 -2.811 15.081 -6.830 1.00 0.00 N ATOM 0 H LYS A 61 -2.357 15.430 -0.865 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.789 13.214 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.982 14.343 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.345 12.773 -2.896 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.222 13.957 -4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.483 15.463 -3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.262 14.424 -4.637 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.316 13.295 -5.464 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.541 16.325 -5.677 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.705 15.313 -6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.949 15.807 -7.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.787 14.141 -7.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.597 15.122 -6.150 1.00 0.00 H new ATOM 903 N CYS A 62 -2.860 11.205 -0.891 1.00 0.00 N ATOM 904 CA CYS A 62 -2.522 10.071 -0.039 1.00 0.00 C ATOM 905 C CYS A 62 -1.860 8.960 -0.848 1.00 0.00 C ATOM 906 O CYS A 62 -2.003 8.901 -2.069 1.00 0.00 O ATOM 907 CB CYS A 62 -3.775 9.536 0.655 1.00 0.00 C ATOM 908 SG CYS A 62 -4.709 10.790 1.563 1.00 0.00 S ATOM 0 H CYS A 62 -3.430 10.967 -1.702 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.816 10.415 0.717 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.426 9.084 -0.093 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.485 8.744 1.345 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.851 10.990 0.976 1.00 0.00 H new ATOM 914 N GLU A 63 -1.136 8.084 -0.160 1.00 0.00 N ATOM 915 CA GLU A 63 -0.450 6.977 -0.817 1.00 0.00 C ATOM 916 C GLU A 63 -0.375 5.761 0.103 1.00 0.00 C ATOM 917 O GLU A 63 -0.046 5.881 1.284 1.00 0.00 O ATOM 918 CB GLU A 63 0.959 7.399 -1.239 1.00 0.00 C ATOM 919 CG GLU A 63 1.817 6.246 -1.732 1.00 0.00 C ATOM 920 CD GLU A 63 2.912 6.698 -2.678 1.00 0.00 C ATOM 921 OE1 GLU A 63 2.654 7.611 -3.491 1.00 0.00 O ATOM 922 OE2 GLU A 63 4.026 6.139 -2.607 1.00 0.00 O ATOM 0 H GLU A 63 -1.009 8.119 0.851 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.021 6.705 -1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.884 8.148 -2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.455 7.875 -0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.266 5.741 -0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.184 5.517 -2.237 1.00 0.00 H new ATOM 929 N LEU A 64 -0.683 4.592 -0.447 1.00 0.00 N ATOM 930 CA LEU A 64 -0.651 3.353 0.323 1.00 0.00 C ATOM 931 C LEU A 64 0.106 2.264 -0.430 1.00 0.00 C ATOM 932 O LEU A 64 -0.300 1.849 -1.515 1.00 0.00 O ATOM 933 CB LEU A 64 -2.074 2.883 0.629 1.00 0.00 C ATOM 934 CG LEU A 64 -2.195 1.590 1.436 1.00 0.00 C ATOM 935 CD1 LEU A 64 -2.249 0.385 0.510 1.00 0.00 C ATOM 936 CD2 LEU A 64 -1.036 1.461 2.414 1.00 0.00 C ATOM 0 H LEU A 64 -0.958 4.476 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.131 3.550 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.588 3.676 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.602 2.749 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.123 1.626 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.335 -0.526 1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.112 0.472 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.338 0.344 -0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.139 0.535 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.095 1.448 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.043 2.308 3.100 1.00 0.00 H new ATOM 948 N GLN A 65 1.207 1.803 0.156 1.00 0.00 N ATOM 949 CA GLN A 65 2.020 0.760 -0.460 1.00 0.00 C ATOM 950 C GLN A 65 1.916 -0.544 0.324 1.00 0.00 C ATOM 951 O GLN A 65 2.015 -0.551 1.551 1.00 0.00 O ATOM 952 CB GLN A 65 3.481 1.205 -0.542 1.00 0.00 C ATOM 953 CG GLN A 65 3.822 1.937 -1.830 1.00 0.00 C ATOM 954 CD GLN A 65 5.302 2.239 -1.955 1.00 0.00 C ATOM 955 OE1 GLN A 65 6.139 1.337 -1.900 1.00 0.00 O ATOM 956 NE2 GLN A 65 5.635 3.513 -2.125 1.00 0.00 N ATOM 0 H GLN A 65 1.556 2.135 1.055 1.00 0.00 H new ATOM 0 HA GLN A 65 1.643 0.588 -1.468 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.703 1.854 0.305 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.124 0.330 -0.450 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.505 1.334 -2.681 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.260 2.870 -1.873 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.909 4.229 -2.165 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.616 3.776 -2.216 1.00 0.00 H new ATOM 965 N ILE A 66 1.717 -1.645 -0.393 1.00 0.00 N ATOM 966 CA ILE A 66 1.601 -2.955 0.236 1.00 0.00 C ATOM 967 C ILE A 66 2.748 -3.868 -0.181 1.00 0.00 C ATOM 968 O ILE A 66 2.732 -4.444 -1.269 1.00 0.00 O ATOM 969 CB ILE A 66 0.264 -3.633 -0.118 1.00 0.00 C ATOM 970 CG1 ILE A 66 -0.905 -2.690 0.174 1.00 0.00 C ATOM 971 CG2 ILE A 66 0.109 -4.934 0.656 1.00 0.00 C ATOM 972 CD1 ILE A 66 -2.096 -2.905 -0.734 1.00 0.00 C ATOM 0 H ILE A 66 1.633 -1.656 -1.409 1.00 0.00 H new ATOM 0 HA ILE A 66 1.642 -2.793 1.313 1.00 0.00 H new ATOM 0 HB ILE A 66 0.262 -3.864 -1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.219 -2.823 1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.564 -1.660 0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.841 -5.402 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.927 -5.608 0.402 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.129 -4.726 1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.886 -2.202 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.798 -2.743 -1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.463 -3.925 -0.617 1.00 0.00 H new ATOM 984 N ARG A 67 3.742 -3.997 0.692 1.00 0.00 N ATOM 985 CA ARG A 67 4.898 -4.842 0.415 1.00 0.00 C ATOM 986 C ARG A 67 4.608 -6.296 0.777 1.00 0.00 C ATOM 987 O ARG A 67 4.236 -6.602 1.909 1.00 0.00 O ATOM 988 CB ARG A 67 6.118 -4.344 1.192 1.00 0.00 C ATOM 989 CG ARG A 67 6.654 -3.012 0.696 1.00 0.00 C ATOM 990 CD ARG A 67 7.501 -2.323 1.755 1.00 0.00 C ATOM 991 NE ARG A 67 8.758 -3.028 1.994 1.00 0.00 N ATOM 992 CZ ARG A 67 9.814 -2.470 2.574 1.00 0.00 C ATOM 993 NH1 ARG A 67 9.765 -1.207 2.974 1.00 0.00 N ATOM 994 NH2 ARG A 67 10.923 -3.176 2.757 1.00 0.00 N ATOM 0 H ARG A 67 3.770 -3.527 1.597 1.00 0.00 H new ATOM 0 HA ARG A 67 5.109 -4.787 -0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.854 -4.250 2.245 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.909 -5.091 1.127 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.251 -3.170 -0.202 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.822 -2.365 0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.713 -1.301 1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.938 -2.261 2.686 1.00 0.00 H new ATOM 0 HE ARG A 67 8.828 -4.002 1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.914 -0.661 2.837 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.578 -0.781 3.419 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.965 -4.148 2.452 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.734 -2.746 3.203 1.00 0.00 H new ATOM 1008 N GLY A 68 4.781 -7.188 -0.194 1.00 0.00 N ATOM 1009 CA GLY A 68 4.533 -8.598 0.042 1.00 0.00 C ATOM 1010 C GLY A 68 3.191 -9.049 -0.498 1.00 0.00 C ATOM 1011 O GLY A 68 2.455 -9.775 0.173 1.00 0.00 O ATOM 0 H GLY A 68 5.088 -6.959 -1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.324 -9.186 -0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.576 -8.797 1.113 1.00 0.00 H new ATOM 1015 N LEU A 69 2.870 -8.619 -1.713 1.00 0.00 N ATOM 1016 CA LEU A 69 1.605 -8.982 -2.344 1.00 0.00 C ATOM 1017 C LEU A 69 1.460 -10.498 -2.441 1.00 0.00 C ATOM 1018 O LEU A 69 2.452 -11.223 -2.507 1.00 0.00 O ATOM 1019 CB LEU A 69 1.510 -8.359 -3.737 1.00 0.00 C ATOM 1020 CG LEU A 69 1.155 -6.873 -3.785 1.00 0.00 C ATOM 1021 CD1 LEU A 69 1.424 -6.304 -5.169 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -0.299 -6.659 -3.392 1.00 0.00 C ATOM 0 H LEU A 69 3.468 -8.019 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 69 0.795 -8.597 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.466 -8.500 -4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.763 -8.909 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 69 1.785 -6.346 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.165 -5.245 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.480 -6.423 -5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.820 -6.835 -5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.534 -5.595 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.946 -7.200 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.460 -7.029 -2.379 1.00 0.00 H new ATOM 1034 N ALA A 70 0.218 -10.969 -2.450 1.00 0.00 N ATOM 1035 CA ALA A 70 -0.057 -12.397 -2.543 1.00 0.00 C ATOM 1036 C ALA A 70 -1.488 -12.652 -3.006 1.00 0.00 C ATOM 1037 O ALA A 70 -2.324 -11.750 -2.992 1.00 0.00 O ATOM 1038 CB ALA A 70 0.194 -13.072 -1.203 1.00 0.00 C ATOM 0 H ALA A 70 -0.614 -10.382 -2.394 1.00 0.00 H new ATOM 0 HA ALA A 70 0.619 -12.824 -3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.016 -14.138 -1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.235 -12.929 -0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.457 -12.633 -0.447 1.00 0.00 H new ATOM 1044 N MET A 71 -1.761 -13.886 -3.416 1.00 0.00 N ATOM 1045 CA MET A 71 -3.092 -14.259 -3.882 1.00 0.00 C ATOM 1046 C MET A 71 -4.163 -13.776 -2.910 1.00 0.00 C ATOM 1047 O MET A 71 -5.135 -13.136 -3.311 1.00 0.00 O ATOM 1048 CB MET A 71 -3.188 -15.776 -4.054 1.00 0.00 C ATOM 1049 CG MET A 71 -2.387 -16.307 -5.232 1.00 0.00 C ATOM 1050 SD MET A 71 -3.345 -16.352 -6.759 1.00 0.00 S ATOM 1051 CE MET A 71 -2.826 -14.821 -7.531 1.00 0.00 C ATOM 0 H MET A 71 -1.079 -14.644 -3.435 1.00 0.00 H new ATOM 0 HA MET A 71 -3.260 -13.780 -4.847 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.840 -16.259 -3.141 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.234 -16.053 -4.182 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.506 -15.682 -5.379 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.031 -17.311 -5.001 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.968 -14.891 -8.609 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.421 -13.996 -7.139 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.772 -14.643 -7.315 1.00 0.00 H new ATOM 1061 N ALA A 72 -3.980 -14.088 -1.631 1.00 0.00 N ATOM 1062 CA ALA A 72 -4.930 -13.685 -0.603 1.00 0.00 C ATOM 1063 C ALA A 72 -5.187 -12.182 -0.651 1.00 0.00 C ATOM 1064 O ALA A 72 -6.330 -11.735 -0.553 1.00 0.00 O ATOM 1065 CB ALA A 72 -4.423 -14.091 0.773 1.00 0.00 C ATOM 0 H ALA A 72 -3.182 -14.619 -1.283 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.874 -14.195 -0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.143 -13.783 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.297 -15.173 0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.465 -13.608 0.965 1.00 0.00 H new ATOM 1071 N ASP A 73 -4.118 -11.409 -0.803 1.00 0.00 N ATOM 1072 CA ASP A 73 -4.227 -9.956 -0.865 1.00 0.00 C ATOM 1073 C ASP A 73 -5.206 -9.531 -1.955 1.00 0.00 C ATOM 1074 O ASP A 73 -5.827 -8.471 -1.869 1.00 0.00 O ATOM 1075 CB ASP A 73 -2.856 -9.330 -1.121 1.00 0.00 C ATOM 1076 CG ASP A 73 -1.813 -9.792 -0.123 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -1.786 -11.000 0.190 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -1.024 -8.944 0.346 1.00 0.00 O ATOM 0 H ASP A 73 -3.165 -11.764 -0.886 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.604 -9.604 0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.527 -9.583 -2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.942 -8.244 -1.076 1.00 0.00 H new ATOM 1083 N THR A 74 -5.339 -10.365 -2.982 1.00 0.00 N ATOM 1084 CA THR A 74 -6.240 -10.075 -4.090 1.00 0.00 C ATOM 1085 C THR A 74 -7.659 -9.823 -3.593 1.00 0.00 C ATOM 1086 O THR A 74 -8.349 -10.746 -3.161 1.00 0.00 O ATOM 1087 CB THR A 74 -6.263 -11.228 -5.111 1.00 0.00 C ATOM 1088 OG1 THR A 74 -4.934 -11.509 -5.563 1.00 0.00 O ATOM 1089 CG2 THR A 74 -7.145 -10.879 -6.301 1.00 0.00 C ATOM 0 H THR A 74 -4.834 -11.247 -3.069 1.00 0.00 H new ATOM 0 HA THR A 74 -5.863 -9.175 -4.577 1.00 0.00 H new ATOM 0 HB THR A 74 -6.674 -12.110 -4.620 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.467 -12.047 -4.890 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.146 -11.708 -7.009 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.163 -10.694 -5.958 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.759 -9.985 -6.790 1.00 0.00 H new ATOM 1097 N GLY A 75 -8.090 -8.567 -3.658 1.00 0.00 N ATOM 1098 CA GLY A 75 -9.426 -8.217 -3.212 1.00 0.00 C ATOM 1099 C GLY A 75 -9.810 -6.799 -3.588 1.00 0.00 C ATOM 1100 O GLY A 75 -9.639 -6.387 -4.735 1.00 0.00 O ATOM 0 H GLY A 75 -7.538 -7.786 -4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.144 -8.912 -3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.486 -8.332 -2.130 1.00 0.00 H new ATOM 1104 N GLU A 76 -10.332 -6.052 -2.620 1.00 0.00 N ATOM 1105 CA GLU A 76 -10.743 -4.674 -2.857 1.00 0.00 C ATOM 1106 C GLU A 76 -10.299 -3.769 -1.712 1.00 0.00 C ATOM 1107 O GLU A 76 -10.450 -4.113 -0.539 1.00 0.00 O ATOM 1108 CB GLU A 76 -12.262 -4.593 -3.026 1.00 0.00 C ATOM 1109 CG GLU A 76 -12.804 -3.174 -2.989 1.00 0.00 C ATOM 1110 CD GLU A 76 -14.308 -3.129 -2.801 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -15.023 -3.791 -3.582 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -14.769 -2.432 -1.873 1.00 0.00 O ATOM 0 H GLU A 76 -10.480 -6.378 -1.665 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.264 -4.332 -3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.539 -5.054 -3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.738 -5.176 -2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.324 -2.627 -2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.542 -2.665 -3.916 1.00 0.00 H new ATOM 1119 N TYR A 77 -9.750 -2.610 -2.060 1.00 0.00 N ATOM 1120 CA TYR A 77 -9.281 -1.656 -1.062 1.00 0.00 C ATOM 1121 C TYR A 77 -10.101 -0.371 -1.109 1.00 0.00 C ATOM 1122 O TYR A 77 -10.424 0.134 -2.185 1.00 0.00 O ATOM 1123 CB TYR A 77 -7.801 -1.339 -1.286 1.00 0.00 C ATOM 1124 CG TYR A 77 -6.890 -2.527 -1.081 1.00 0.00 C ATOM 1125 CD1 TYR A 77 -6.872 -3.579 -1.989 1.00 0.00 C ATOM 1126 CD2 TYR A 77 -6.046 -2.600 0.021 1.00 0.00 C ATOM 1127 CE1 TYR A 77 -6.041 -4.667 -1.806 1.00 0.00 C ATOM 1128 CE2 TYR A 77 -5.211 -3.683 0.212 1.00 0.00 C ATOM 1129 CZ TYR A 77 -5.212 -4.715 -0.704 1.00 0.00 C ATOM 1130 OH TYR A 77 -4.383 -5.797 -0.517 1.00 0.00 O ATOM 0 H TYR A 77 -9.619 -2.309 -3.026 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.404 -2.108 -0.078 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.668 -0.961 -2.300 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.502 -0.541 -0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.519 -3.545 -2.853 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.043 -1.795 0.741 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.040 -5.476 -2.522 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.561 -3.722 1.073 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.794 -6.596 -0.909 1.00 0.00 H new ATOM 1140 N SER A 78 -10.435 0.154 0.066 1.00 0.00 N ATOM 1141 CA SER A 78 -11.220 1.379 0.160 1.00 0.00 C ATOM 1142 C SER A 78 -10.546 2.386 1.087 1.00 0.00 C ATOM 1143 O SER A 78 -10.268 2.087 2.249 1.00 0.00 O ATOM 1144 CB SER A 78 -12.630 1.068 0.665 1.00 0.00 C ATOM 1145 OG SER A 78 -13.144 -0.102 0.054 1.00 0.00 O ATOM 0 H SER A 78 -10.174 -0.250 0.966 1.00 0.00 H new ATOM 0 HA SER A 78 -11.287 1.816 -0.836 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.612 0.939 1.747 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.289 1.911 0.456 1.00 0.00 H new ATOM 0 HG SER A 78 -14.045 -0.280 0.395 1.00 0.00 H new ATOM 1151 N CYS A 79 -10.287 3.580 0.566 1.00 0.00 N ATOM 1152 CA CYS A 79 -9.645 4.632 1.345 1.00 0.00 C ATOM 1153 C CYS A 79 -10.682 5.584 1.932 1.00 0.00 C ATOM 1154 O CYS A 79 -11.185 6.472 1.242 1.00 0.00 O ATOM 1155 CB CYS A 79 -8.656 5.409 0.475 1.00 0.00 C ATOM 1156 SG CYS A 79 -7.306 6.179 1.399 1.00 0.00 S ATOM 0 H CYS A 79 -10.512 3.844 -0.393 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.104 4.162 2.166 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.234 4.733 -0.268 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.197 6.183 -0.069 1.00 0.00 H new ATOM 0 HG CYS A 79 -6.183 5.605 1.085 1.00 0.00 H new ATOM 1162 N VAL A 80 -10.998 5.393 3.208 1.00 0.00 N ATOM 1163 CA VAL A 80 -11.976 6.234 3.888 1.00 0.00 C ATOM 1164 C VAL A 80 -11.314 7.466 4.495 1.00 0.00 C ATOM 1165 O VAL A 80 -10.213 7.386 5.040 1.00 0.00 O ATOM 1166 CB VAL A 80 -12.708 5.458 4.999 1.00 0.00 C ATOM 1167 CG1 VAL A 80 -14.035 6.125 5.331 1.00 0.00 C ATOM 1168 CG2 VAL A 80 -12.919 4.009 4.586 1.00 0.00 C ATOM 0 H VAL A 80 -10.591 4.663 3.793 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.701 6.548 3.136 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.088 5.470 5.896 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.538 5.563 6.118 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.855 7.144 5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.664 6.146 4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.437 3.475 5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.518 3.974 3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.953 3.538 4.403 1.00 0.00 H new ATOM 1178 N CYS A 81 -11.993 8.604 4.397 1.00 0.00 N ATOM 1179 CA CYS A 81 -11.470 9.854 4.936 1.00 0.00 C ATOM 1180 C CYS A 81 -12.310 10.330 6.117 1.00 0.00 C ATOM 1181 O CYS A 81 -11.785 10.884 7.082 1.00 0.00 O ATOM 1182 CB CYS A 81 -11.441 10.930 3.850 1.00 0.00 C ATOM 1183 SG CYS A 81 -13.045 11.240 3.074 1.00 0.00 S ATOM 0 H CYS A 81 -12.906 8.686 3.950 1.00 0.00 H new ATOM 0 HA CYS A 81 -10.453 9.673 5.285 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -11.074 11.860 4.285 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -10.728 10.635 3.080 1.00 0.00 H new ATOM 0 HG CYS A 81 -13.085 10.656 1.913 1.00 0.00 H new ATOM 1189 N GLY A 82 -13.619 10.111 6.033 1.00 0.00 N ATOM 1190 CA GLY A 82 -14.511 10.525 7.100 1.00 0.00 C ATOM 1191 C GLY A 82 -15.971 10.337 6.741 1.00 0.00 C ATOM 1192 O GLY A 82 -16.698 9.621 7.429 1.00 0.00 O ATOM 0 H GLY A 82 -14.077 9.654 5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.285 9.954 8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.330 11.574 7.334 1.00 0.00 H new ATOM 1196 N GLN A 83 -16.401 10.981 5.661 1.00 0.00 N ATOM 1197 CA GLN A 83 -17.786 10.883 5.214 1.00 0.00 C ATOM 1198 C GLN A 83 -17.895 10.008 3.969 1.00 0.00 C ATOM 1199 O GLN A 83 -18.865 9.271 3.801 1.00 0.00 O ATOM 1200 CB GLN A 83 -18.351 12.274 4.925 1.00 0.00 C ATOM 1201 CG GLN A 83 -18.489 13.144 6.165 1.00 0.00 C ATOM 1202 CD GLN A 83 -19.639 12.713 7.054 1.00 0.00 C ATOM 1203 OE1 GLN A 83 -20.693 12.300 6.569 1.00 0.00 O ATOM 1204 NE2 GLN A 83 -19.442 12.807 8.364 1.00 0.00 N ATOM 0 H GLN A 83 -15.811 11.576 5.079 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.367 10.422 6.013 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.704 12.778 4.208 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.328 12.170 4.454 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.561 13.108 6.735 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -18.637 14.181 5.862 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -18.553 13.155 8.722 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -20.180 12.531 9.012 1.00 0.00 H new ATOM 1213 N GLU A 84 -16.893 10.097 3.100 1.00 0.00 N ATOM 1214 CA GLU A 84 -16.878 9.314 1.870 1.00 0.00 C ATOM 1215 C GLU A 84 -15.554 8.571 1.714 1.00 0.00 C ATOM 1216 O GLU A 84 -14.609 8.799 2.469 1.00 0.00 O ATOM 1217 CB GLU A 84 -17.112 10.221 0.659 1.00 0.00 C ATOM 1218 CG GLU A 84 -18.274 11.184 0.836 1.00 0.00 C ATOM 1219 CD GLU A 84 -19.613 10.476 0.903 1.00 0.00 C ATOM 1220 OE1 GLU A 84 -20.105 10.033 -0.155 1.00 0.00 O ATOM 1221 OE2 GLU A 84 -20.169 10.365 2.016 1.00 0.00 O ATOM 0 H GLU A 84 -16.082 10.703 3.225 1.00 0.00 H new ATOM 0 HA GLU A 84 -17.682 8.580 1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.205 10.792 0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.295 9.601 -0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.127 11.762 1.749 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -18.283 11.893 0.008 1.00 0.00 H new ATOM 1228 N ARG A 85 -15.495 7.681 0.729 1.00 0.00 N ATOM 1229 CA ARG A 85 -14.289 6.902 0.474 1.00 0.00 C ATOM 1230 C ARG A 85 -14.255 6.408 -0.969 1.00 0.00 C ATOM 1231 O ARG A 85 -15.236 6.535 -1.704 1.00 0.00 O ATOM 1232 CB ARG A 85 -14.211 5.714 1.434 1.00 0.00 C ATOM 1233 CG ARG A 85 -15.121 4.558 1.047 1.00 0.00 C ATOM 1234 CD ARG A 85 -16.497 4.697 1.679 1.00 0.00 C ATOM 1235 NE ARG A 85 -17.542 4.102 0.851 1.00 0.00 N ATOM 1236 CZ ARG A 85 -17.926 2.834 0.950 1.00 0.00 C ATOM 1237 NH1 ARG A 85 -17.354 2.033 1.838 1.00 0.00 N ATOM 1238 NH2 ARG A 85 -18.884 2.366 0.161 1.00 0.00 N ATOM 0 H ARG A 85 -16.268 7.481 0.094 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.427 7.549 0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.182 5.357 1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.472 6.051 2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.220 4.519 -0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.669 3.617 1.360 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.496 4.220 2.659 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -16.718 5.752 1.838 1.00 0.00 H new ATOM 0 HE ARG A 85 -18.003 4.692 0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -16.618 2.390 2.447 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -17.650 1.060 1.912 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -19.327 2.980 -0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -19.178 1.392 0.238 1.00 0.00 H new ATOM 1252 N THR A 86 -13.120 5.843 -1.370 1.00 0.00 N ATOM 1253 CA THR A 86 -12.958 5.331 -2.724 1.00 0.00 C ATOM 1254 C THR A 86 -12.790 3.816 -2.723 1.00 0.00 C ATOM 1255 O THR A 86 -12.830 3.178 -1.671 1.00 0.00 O ATOM 1256 CB THR A 86 -11.745 5.970 -3.425 1.00 0.00 C ATOM 1257 OG1 THR A 86 -11.567 5.391 -4.722 1.00 0.00 O ATOM 1258 CG2 THR A 86 -10.481 5.778 -2.601 1.00 0.00 C ATOM 0 H THR A 86 -12.299 5.729 -0.775 1.00 0.00 H new ATOM 0 HA THR A 86 -13.864 5.593 -3.271 1.00 0.00 H new ATOM 0 HB THR A 86 -11.934 7.038 -3.528 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.370 5.545 -5.262 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.638 6.238 -3.116 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.609 6.246 -1.625 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.290 4.713 -2.471 1.00 0.00 H new ATOM 1266 N SER A 87 -12.601 3.245 -3.908 1.00 0.00 N ATOM 1267 CA SER A 87 -12.429 1.803 -4.044 1.00 0.00 C ATOM 1268 C SER A 87 -11.678 1.464 -5.328 1.00 0.00 C ATOM 1269 O SER A 87 -11.886 2.091 -6.366 1.00 0.00 O ATOM 1270 CB SER A 87 -13.790 1.103 -4.035 1.00 0.00 C ATOM 1271 OG SER A 87 -14.788 1.922 -4.619 1.00 0.00 O ATOM 0 H SER A 87 -12.563 3.759 -4.788 1.00 0.00 H new ATOM 0 HA SER A 87 -11.841 1.450 -3.197 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.722 0.162 -4.581 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.070 0.858 -3.010 1.00 0.00 H new ATOM 0 HG SER A 87 -15.648 1.452 -4.603 1.00 0.00 H new ATOM 1277 N ALA A 88 -10.804 0.466 -5.248 1.00 0.00 N ATOM 1278 CA ALA A 88 -10.023 0.041 -6.403 1.00 0.00 C ATOM 1279 C ALA A 88 -9.631 -1.428 -6.290 1.00 0.00 C ATOM 1280 O ALA A 88 -8.942 -1.826 -5.351 1.00 0.00 O ATOM 1281 CB ALA A 88 -8.783 0.910 -6.551 1.00 0.00 C ATOM 0 H ALA A 88 -10.619 -0.063 -4.396 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.643 0.157 -7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.209 0.581 -7.418 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.081 1.950 -6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.169 0.823 -5.655 1.00 0.00 H new ATOM 1287 N MET A 89 -10.075 -2.230 -7.252 1.00 0.00 N ATOM 1288 CA MET A 89 -9.769 -3.656 -7.260 1.00 0.00 C ATOM 1289 C MET A 89 -8.276 -3.891 -7.464 1.00 0.00 C ATOM 1290 O MET A 89 -7.643 -3.241 -8.297 1.00 0.00 O ATOM 1291 CB MET A 89 -10.564 -4.364 -8.359 1.00 0.00 C ATOM 1292 CG MET A 89 -12.032 -4.559 -8.018 1.00 0.00 C ATOM 1293 SD MET A 89 -12.275 -5.600 -6.566 1.00 0.00 S ATOM 1294 CE MET A 89 -11.402 -7.083 -7.061 1.00 0.00 C ATOM 0 H MET A 89 -10.648 -1.917 -8.036 1.00 0.00 H new ATOM 0 HA MET A 89 -10.054 -4.069 -6.292 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.487 -3.787 -9.281 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.112 -5.337 -8.553 1.00 0.00 H new ATOM 0 HG2 MET A 89 -12.493 -3.587 -7.844 1.00 0.00 H new ATOM 0 HG3 MET A 89 -12.543 -5.006 -8.871 1.00 0.00 H new ATOM 0 HE1 MET A 89 -11.609 -7.882 -6.349 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.734 -7.386 -8.054 1.00 0.00 H new ATOM 0 HE3 MET A 89 -10.330 -6.885 -7.082 1.00 0.00 H new ATOM 1304 N LEU A 90 -7.718 -4.823 -6.699 1.00 0.00 N ATOM 1305 CA LEU A 90 -6.298 -5.143 -6.796 1.00 0.00 C ATOM 1306 C LEU A 90 -6.095 -6.591 -7.231 1.00 0.00 C ATOM 1307 O LEU A 90 -6.473 -7.524 -6.522 1.00 0.00 O ATOM 1308 CB LEU A 90 -5.608 -4.902 -5.452 1.00 0.00 C ATOM 1309 CG LEU A 90 -4.304 -5.666 -5.221 1.00 0.00 C ATOM 1310 CD1 LEU A 90 -3.244 -5.228 -6.220 1.00 0.00 C ATOM 1311 CD2 LEU A 90 -3.812 -5.462 -3.795 1.00 0.00 C ATOM 0 H LEU A 90 -8.227 -5.370 -6.005 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.854 -4.491 -7.548 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.403 -3.836 -5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.305 -5.164 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.497 -6.728 -5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.323 -5.783 -6.040 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.595 -5.426 -7.233 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.054 -4.161 -6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.883 -6.013 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.636 -4.401 -3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.564 -5.826 -3.095 1.00 0.00 H new ATOM 1323 N THR A 91 -5.494 -6.772 -8.403 1.00 0.00 N ATOM 1324 CA THR A 91 -5.239 -8.106 -8.934 1.00 0.00 C ATOM 1325 C THR A 91 -3.780 -8.503 -8.744 1.00 0.00 C ATOM 1326 O THR A 91 -2.871 -7.779 -9.150 1.00 0.00 O ATOM 1327 CB THR A 91 -5.593 -8.192 -10.430 1.00 0.00 C ATOM 1328 OG1 THR A 91 -6.993 -7.957 -10.617 1.00 0.00 O ATOM 1329 CG2 THR A 91 -5.222 -9.554 -10.996 1.00 0.00 C ATOM 0 H THR A 91 -5.175 -6.011 -9.003 1.00 0.00 H new ATOM 0 HA THR A 91 -5.875 -8.795 -8.378 1.00 0.00 H new ATOM 0 HB THR A 91 -5.023 -7.428 -10.960 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.209 -8.012 -11.571 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.481 -9.591 -12.054 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.151 -9.717 -10.879 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.768 -10.331 -10.461 1.00 0.00 H new ATOM 1337 N VAL A 92 -3.562 -9.660 -8.126 1.00 0.00 N ATOM 1338 CA VAL A 92 -2.212 -10.155 -7.885 1.00 0.00 C ATOM 1339 C VAL A 92 -1.867 -11.296 -8.835 1.00 0.00 C ATOM 1340 O VAL A 92 -2.183 -12.456 -8.569 1.00 0.00 O ATOM 1341 CB VAL A 92 -2.044 -10.641 -6.433 1.00 0.00 C ATOM 1342 CG1 VAL A 92 -0.656 -11.228 -6.224 1.00 0.00 C ATOM 1343 CG2 VAL A 92 -2.303 -9.504 -5.457 1.00 0.00 C ATOM 0 H VAL A 92 -4.303 -10.272 -7.783 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.533 -9.321 -8.062 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.777 -11.425 -6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.555 -11.566 -5.193 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.513 -12.072 -6.898 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.096 -10.467 -6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.180 -9.866 -4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.596 -8.696 -5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.320 -9.134 -5.591 1.00 0.00 H new ATOM 1353 N ARG A 93 -1.216 -10.959 -9.943 1.00 0.00 N ATOM 1354 CA ARG A 93 -0.828 -11.956 -10.934 1.00 0.00 C ATOM 1355 C ARG A 93 0.193 -12.931 -10.354 1.00 0.00 C ATOM 1356 O ARG A 93 1.374 -12.607 -10.230 1.00 0.00 O ATOM 1357 CB ARG A 93 -0.250 -11.275 -12.176 1.00 0.00 C ATOM 1358 CG ARG A 93 -1.228 -10.338 -12.867 1.00 0.00 C ATOM 1359 CD ARG A 93 -2.391 -11.102 -13.481 1.00 0.00 C ATOM 1360 NE ARG A 93 -3.164 -10.274 -14.403 1.00 0.00 N ATOM 1361 CZ ARG A 93 -3.916 -10.769 -15.380 1.00 0.00 C ATOM 1362 NH1 ARG A 93 -3.997 -12.080 -15.560 1.00 0.00 N ATOM 1363 NH2 ARG A 93 -4.590 -9.951 -16.178 1.00 0.00 N ATOM 0 H ARG A 93 -0.946 -10.004 -10.177 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.720 -12.516 -11.217 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.639 -10.713 -11.891 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.069 -12.040 -12.884 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.607 -9.611 -12.148 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.709 -9.777 -13.644 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.011 -11.976 -14.010 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.043 -11.468 -12.688 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.124 -9.261 -14.291 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.481 -12.712 -14.947 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.575 -12.457 -16.311 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.531 -8.942 -16.041 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.167 -10.331 -16.928 1.00 0.00 H new ATOM 1377 N ALA A 94 -0.271 -14.125 -10.001 1.00 0.00 N ATOM 1378 CA ALA A 94 0.602 -15.147 -9.435 1.00 0.00 C ATOM 1379 C ALA A 94 1.895 -15.267 -10.234 1.00 0.00 C ATOM 1380 O ALA A 94 1.888 -15.184 -11.463 1.00 0.00 O ATOM 1381 CB ALA A 94 -0.117 -16.487 -9.387 1.00 0.00 C ATOM 0 H ALA A 94 -1.246 -14.409 -10.097 1.00 0.00 H new ATOM 0 HA ALA A 94 0.859 -14.848 -8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.546 -17.241 -8.962 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.010 -16.399 -8.768 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.403 -16.783 -10.396 1.00 0.00 H new ATOM 1387 N LEU A 95 3.004 -15.461 -9.529 1.00 0.00 N ATOM 1388 CA LEU A 95 4.307 -15.592 -10.172 1.00 0.00 C ATOM 1389 C LEU A 95 4.337 -16.803 -11.099 1.00 0.00 C ATOM 1390 O LEU A 95 3.618 -17.783 -10.904 1.00 0.00 O ATOM 1391 CB LEU A 95 5.408 -15.715 -9.118 1.00 0.00 C ATOM 1392 CG LEU A 95 5.795 -14.423 -8.398 1.00 0.00 C ATOM 1393 CD1 LEU A 95 6.525 -14.733 -7.100 1.00 0.00 C ATOM 1394 CD2 LEU A 95 6.653 -13.547 -9.298 1.00 0.00 C ATOM 0 H LEU A 95 3.027 -15.531 -8.512 1.00 0.00 H new ATOM 0 HA LEU A 95 4.482 -14.696 -10.768 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.089 -16.442 -8.371 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.299 -16.121 -9.598 1.00 0.00 H new ATOM 0 HG LEU A 95 4.883 -13.877 -8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.792 -13.801 -6.602 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.877 -15.320 -6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.430 -15.301 -7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.919 -12.632 -8.769 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.561 -14.085 -9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.095 -13.295 -10.200 1.00 0.00 H new